A0A077Z520_TRITR Loading...

tryptophanase

AlphaFold DB , UniProt , Accession A0A077Z520, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 471 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
1M68Low82.5Confident148 Ų148114.5 Ų114.573%0.72956%0.563SS**  0-0.50-73.3-60.9-120.200113.2N3 F4 L7M1-N3 PolarHBondContact O-N 3.31Å; M1-N3 VanDerWaalsContact O-N 3.11Å; M1-F4 WeakPolarHBondContact O-CD2 3.35Å; M1-F4 PolarHBondContact O-N 2.88Å; M1-F4 HydrophobicContact SD-CD2 3.79Å; M1-F4 HydrophobicContact SD-CE2 3.91Å; M1-L7 HydrophobicContact CB-CD1 4Å; M1-L7 HydrophobicContact CB-CD2 4.13Å; M1-L7 HydrophobicContact CE-CD1 4.1Å; M1-L7 HydrophobicContact CE-CD2 3.42Å; M1-L7 VanDerWaalsContact CE-CD2 3.42Å; M1-L7 HydrophobicContact CE-CG 4.24Å; M1-L7 HydrophobicContact CG-CD1 4.22Å; M1-L7 HydrophobicContact CG-CD2 4.27Å; M1-L7 HydrophobicContact SD-CD2 3.81Å
2E72Confident83.5Confident196 Ų196121.4 Ų121.492%0.91658%0.579SS**THydrogen-bonded Turntrans-65-18.3-169.8-61.2176.8175.500115.5
3N82.2Confident84.2Confident159 Ų159119.8 Ų119.885%0.8557%0.574SS**THydrogen-bonded Turntrans-912.9-178-62.9-29.5000114M1M1-N3 PolarHBondContact O-N 3.31Å; M1-N3 VanDerWaalsContact O-N 3.11Å
4F82.5Confident84.7Confident137 Ų137122.6 Ų122.660%0.60158%0.576SS**  trans-104.8129.8-177.9-63-76.6000110.8M1 L7M1-F4 WeakPolarHBondContact O-CD2 3.35Å; M1-F4 PolarHBondContact O-N 2.88Å; M1-F4 HydrophobicContact SD-CD2 3.79Å; M1-F4 HydrophobicContact SD-CE2 3.91Å; F4-L7 HydrophobicContact CB-CD2 3.64Å; F4-L7 HydrophobicContact CD2-CD2 4.22Å; F4-L7 HydrophobicContact CG-CD2 4.19Å
5K74.4Confident85.2Confident222 Ų222123.5 Ų123.597%0.96559%0.592SS**SBendtrans-68.3-34.9179.3-67.9-174.9177.4-176.20113
6H74.7Confident85.8Confident77 Ų77124.1 Ų124.136%0.35660%0.598SS.*SBendtrans-142.6132.4178.2-173.775.9000108.6Q429H6-Q429 PolarHBondContact CD2-OE1 2.98Å; H6-Q429 PolarHBondContact NE2-OE1 3.49Å; H6-Q429 VanDerWaalsContact NE2-OE1 3.14Å
7L84.7Confident86.3Confident74 Ų74126.5 Ų126.539%0.38761%0.608SS.*PPolyproline II helixtrans-94.6135.5175.9-62.9-175.9000109.2M1 F4M1-L7 HydrophobicContact CB-CD1 4Å; M1-L7 HydrophobicContact CB-CD2 4.13Å; M1-L7 HydrophobicContact CE-CD1 4.1Å; M1-L7 HydrophobicContact CE-CD2 3.42Å; M1-L7 VanDerWaalsContact CE-CD2 3.42Å; M1-L7 HydrophobicContact CE-CG 4.24Å; M1-L7 HydrophobicContact CG-CD1 4.22Å; M1-L7 HydrophobicContact CG-CD2 4.27Å; M1-L7 HydrophobicContact SD-CD2 3.81Å; F4-L7 HydrophobicContact CB-CD2 3.64Å; F4-L7 HydrophobicContact CD2-CD2 4.22Å; F4-L7 HydrophobicContact CG-CD2 4.19Å
8P89Confident86.8Confident92 Ų92126.1 Ų126.160%0.59762%0.617SS**PPolyproline II helixtrans-65167176.629.9-35.9000111.4
9E91.9Very high87.2Confident51 Ų51123.3 Ų123.324%0.23861%0.608CS.*PPolyproline II helixtrans-46.9124.9174.9-71.874.4-17000111.7F11 Y333E9-F11 HydrophobicContact CB-CD1 4.18Å; E9-F11 HydrophobicContact CB-CD2 4.13Å; E9-F11 HydrophobicContact CB-CE1 3.81Å; E9-F11 HydrophobicContact CB-CE2 3.76Å; E9-F11 HydrophobicContact CB-CG 4.32Å; E9-F11 HydrophobicContact CB-CZ 3.59Å; E9-F11 HydrophobicContact CG-CE1 4Å; E9-F11 HydrophobicContact CG-CE2 3.8Å; E9-F11 HydrophobicContact CG-CZ 3.42Å; E9-F11 VanDerWaalsContact CG-CZ 3.42Å; E9-F11 PolarHBondContact O-N 3.32Å; E9-Y333 HydrophobicContact CB-CE2 4.26Å; E9-Y333 HydrophobicContact CG-CE2 3.62Å; E9-Y333 WeakPolarHBondContact CG-OH 3.45Å
10P93.9Very high87.5Confident49 Ų49122.5 Ų122.532%0.31860%0.601SS.*SBendtrans-78.637.5179.433.7-37.4000112.3D329 W330 Y333P10-D329 HydrophobicContact CB-CB 4.23Å; P10-W330 PolarHBondContact O-NE1 3.46Å; P10-Y333 VanDerWaalsContact CD-CG 3.47Å; P10-Y333 HydrophobicContact CG-CG 4.1Å
11F94Very high87.8Confident54 Ų54126.3 Ų126.324%0.23761%0.609CS.*SBendtrans-155.5162.1-179.553-98.3000111.5E9 I13 Y333 A425E9-F11 HydrophobicContact CB-CD1 4.18Å; E9-F11 HydrophobicContact CB-CD2 4.13Å; E9-F11 HydrophobicContact CB-CE1 3.81Å; E9-F11 HydrophobicContact CB-CE2 3.76Å; E9-F11 HydrophobicContact CB-CG 4.32Å; E9-F11 HydrophobicContact CB-CZ 3.59Å; E9-F11 HydrophobicContact CG-CE1 4Å; E9-F11 HydrophobicContact CG-CE2 3.8Å; E9-F11 HydrophobicContact CG-CZ 3.42Å; E9-F11 VanDerWaalsContact CG-CZ 3.42Å; E9-F11 PolarHBondContact O-N 3.32Å; F11-I13 HydrophobicContact CD2-CG1 4.16Å; F11-I13 HydrophobicContact CE2-CD1 4.5Å; F11-I13 HydrophobicContact CE2-CG1 3.97Å; F11-Y333 AromaticContact CE1-CD1 3.99Å; F11-Y333 HydrophobicContact CE1-CD1 3.99Å; F11-Y333 AromaticContact CE1-CE1 3.57Å; F11-Y333 HydrophobicContact CE1-CE1 3.57Å; F11-Y333 AromaticContact CE1-CZ 3.93Å; F11-Y333 AromaticContact CZ-CE1 4Å; F11-Y333 HydrophobicContact CZ-CE1 4Å; F11-A425 HydrophobicContact CD1-CB 4.11Å; F11-A425 HydrophobicContact CD2-CB 4.41Å; F11-A425 HydrophobicContact CE1-CB 3.67Å; F11-A425 HydrophobicContact CE2-CB 3.99Å; F11-A425 HydrophobicContact CG-CB 4.47Å; F11-A425 HydrophobicContact CZ-CB 3.6Å
12R94.1Very high89.2Confident198 Ų198120.4 Ų120.475%0.74758%0.581SS**  trans-107.3125.8172.4-67.9-177-69.1166.2-3109.5R14R12-R14 PolarHBondContact O-N 3.3Å
13I93.3Very high90.4Very high101 Ų101115.5 Ų115.552%0.51857%0.565SS.*  trans-75119.5176.6-57169000108.5F11 I16 T428F11-I13 HydrophobicContact CD2-CG1 4.16Å; F11-I13 HydrophobicContact CE2-CD1 4.5Å; F11-I13 HydrophobicContact CE2-CG1 3.97Å; I13-I16 HydrophobicContact CG2-CG2 3.42Å; I13-I16 VanDerWaalsContact CG2-CG2 3.42Å; I13-T428 HydrophobicContact CD1-CG2 4.37Å
14R90.5Very high91.2Very high159 Ų159113.8 Ų113.860%0.655%0.546SS*.  trans-112.9-34.4-178.7-67.3-170.8-177171.710114.1R12R12-R14 PolarHBondContact O-N 3.3Å
15V93.1Very high91.9Very high135 Ų135109.9 Ų109.982%0.81854%0.54SS*.  trans-124.2130.9-179.3-177.80000106.1
16I94.5Very high93.1Very high134 Ų134103.4 Ų103.469%0.68751%0.51SS*.  trans-126.7151.9178.358155.5000109.8I13I13-I16 HydrophobicContact CG2-CG2 3.42Å; I13-I16 VanDerWaalsContact CG2-CG2 3.42Å
17E94.5Very high94.2Very high164 Ų164100.9 Ų100.977%0.76650%0.497SS*.  trans-105.6124.4169.3-178.2178.2-175.900108.8
18P94.9Very high94.9Very high119 Ų119100.6 Ų100.677%0.77349%0.494SS*.  trans-66.1131.3172.5-20.533.1000111.7
19V94.3Very high95.3Very high74 Ų74102.8 Ų102.845%0.44850%0.496SS..  trans-109.3145.7174.4-66.40000111.7F47V19-F47 HydrophobicContact CB-CD2 4.28Å; V19-F47 HydrophobicContact CG2-CD2 3.8Å; V19-F47 HydrophobicContact CG2-CE2 3.68Å
20K93.2Very high95.6Very high106 Ų106100.9 Ų100.946%0.46149%0.489SS..  trans-95.8139.1-175.3-176.6-179.1173-167.20111.3
21R94.2Very high95.8Very high203 Ų20398.6 Ų98.677%0.76647%0.474SS*.  trans-94.4135.9167.8-64.1178.9-176.1174.20.9109.6F47R21-F47 HydrophobicContact CG-CD2 3.88Å; R21-F47 HydrophobicContact CG-CE2 3.73Å; R21-F47 HydrophobicContact CG-CG 4.44Å; R21-F47 HydrophobicContact CG-CZ 4.17Å
22T96.9Very high96Very high24 Ų24101.7 Ų101.715%0.14749%0.492CS..  trans-116.916617954.20000111.1Y26 R27T22-Y26 HydrophobicContact CG2-CD1 3.75Å; T22-Y26 HydrophobicContact CG2-CE1 3.92Å; T22-R27 PolarHBondContact O-NH1 3.32Å; T22-R27 WeakPolarHBondContact OG1-CD 3.44Å; T22-R27 WeakPolarHBondContact OG1-CG 3.44Å; T22-R27 PolarHBondContact OG1-NH1 3.43Å
23T98Very high96.2Very high94 Ų94100.6 Ų100.658%0.57749%0.492SS*.  trans-83.8158.8172.764.30000110.5A25 Y26 R27T23-A25 PolarHBondContact O-N 3.13Å; T23-Y26 PolarHBondContact O-N 3.25Å; T23-Y26 WeakPolarHBondContact OG1-CB 3.4Å; T23-Y26 PolarHBondContact OG1-N 2.59Å; T23-R27 WeakPolarHBondContact O-CG 3.15Å; T23-R27 PolarHBondContact O-N 3.5Å; T23-R27 VanDerWaalsContact O-N 3.15Å
24R97.9Very high96.5Very high122 Ų12296.3 Ų96.346%0.4647%0.471SS..Hα-helixtrans-57.5-47.5174.7178.3174.3177.3143.15.9112.1Y26 R27 E28R24-Y26 VanDerWaalsContact C-N 3.29Å; R24-Y26 PolarHBondContact O-N 2.75Å; R24-R27 PolarHBondContact O-N 3.34Å; R24-E28 HydrophobicContact CG-CG 4.33Å; R24-E28 WeakPolarHBondContact CG-OE1 3.34Å; R24-E28 IonicContact CZ-OE1 3.28Å; R24-E28 IonicContact NE-OE1 3.76Å; R24-E28 PolarHBondContact NE-OE1 2.9Å; R24-E28 IonicContact NH2-OE1 3.56Å; R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 2.81Å
25A98.5Very high96.8Very high56 Ų5689.1 Ų89.146%0.46345%0.447SS..Hα-helixtrans-56.1-43.4178.900000112T23 R27 E28 E29T23-A25 PolarHBondContact O-N 3.13Å; A25-R27 PolarHBondContact O-N 3.35Å; A25-E28 PolarHBondContact O-N 3.45Å; A25-E29 PolarHBondContact O-N 3.47Å; A25-E29 VanDerWaalsContact O-N 3.13Å
26Y98.4Very high97.1Very high86 Ų8683.2 Ų83.234%0.33741%0.411SS..Hα-helixtrans-60.9-44175.5-179.2-90000112.2T22 T23 R24 E29 A30 D45T22-Y26 HydrophobicContact CG2-CD1 3.75Å; T22-Y26 HydrophobicContact CG2-CE1 3.92Å; T23-Y26 PolarHBondContact O-N 3.25Å; T23-Y26 WeakPolarHBondContact OG1-CB 3.4Å; T23-Y26 PolarHBondContact OG1-N 2.59Å; R24-Y26 VanDerWaalsContact C-N 3.29Å; R24-Y26 PolarHBondContact O-N 2.75Å; Y26-E29 PolarHBondContact O-N 2.94Å; Y26-A30 HydrophobicContact CE1-CB 4.33Å; Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 3.39Å; Y26-D45 HydrophobicContact CE1-CB 4.14Å; Y26-D45 WeakPolarHBondContact CE1-OD1 3.46Å; Y26-D45 VanDerWaalsContact CZ-OD1 3.25Å; Y26-D45 VanDerWaalsContact OH-CG 3.23Å; Y26-D45 PolarHBondContact OH-OD1 3.3Å; Y26-D45 PolarHBondContact OH-OD2 2.92Å
27R98.6Very high97.3Very high24 Ų2476.8 Ų76.89%0.09138%0.378CS..Hα-helixtrans-67.8-35.5179.5-66-169.9-64-99.11.6112.8T22 T23 R24 A25 E29 A30 I31 Y386 K387 V388T22-R27 PolarHBondContact O-NH1 3.32Å; T22-R27 WeakPolarHBondContact OG1-CD 3.44Å; T22-R27 WeakPolarHBondContact OG1-CG 3.44Å; T22-R27 PolarHBondContact OG1-NH1 3.43Å; T23-R27 WeakPolarHBondContact O-CG 3.15Å; T23-R27 PolarHBondContact O-N 3.5Å; T23-R27 VanDerWaalsContact O-N 3.15Å; R24-R27 PolarHBondContact O-N 3.34Å; A25-R27 PolarHBondContact O-N 3.35Å; R27-E29 VanDerWaalsContact C-N 3.34Å; R27-A30 PolarHBondContact O-N 3.22Å; R27-I31 WeakPolarHBondContact O-CG2 3.35Å; R27-I31 PolarHBondContact O-N 3.49Å; R27-Y386 HydrophobicContact CB-CD1 4.19Å; R27-Y386 HydrophobicContact CB-CE1 3.68Å; R27-Y386 WeakPolarHBondContact CD-O 3.46Å; R27-Y386 HydrophobicContact CG-CE1 4.08Å; R27-Y386 PolarHBondContact NE-O 2.94Å; R27-Y386 WeakPolarHBondContact O-CE1 3.27Å; R27-K387 PolarHBondContact NE-O 3.15Å; R27-K387 PolarHBondContact NH2-O 3.03Å; R27-V388 PolarHBondContact NH2-O 3.37Å
28E98.3Very high97.5Very high68 Ų6869.1 Ų69.132%0.31834%0.342SS..Hα-helixtrans-61.2-43.1173.3-73.3174.4177.500111.2R24 A25 I31 I32 K387R24-E28 HydrophobicContact CG-CG 4.33Å; R24-E28 WeakPolarHBondContact CG-OE1 3.34Å; R24-E28 IonicContact CZ-OE1 3.28Å; R24-E28 IonicContact NE-OE1 3.76Å; R24-E28 PolarHBondContact NE-OE1 2.9Å; R24-E28 IonicContact NH2-OE1 3.56Å; R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 2.81Å; A25-E28 PolarHBondContact O-N 3.45Å; E28-I31 WeakPolarHBondContact O-CG2 3.46Å; E28-I32 WeakPolarHBondContact O-CD1 3.32Å; E28-I32 VanDerWaalsContact O-CG1 3.27Å; E28-I32 WeakPolarHBondContact O-CG1 3.48Å; E28-I32 PolarHBondContact O-N 3.4Å; E28-K387 HydrophobicContact CG-CB 4.3Å; E28-K387 HydrophobicContact CG-CD 3.91Å; E28-K387 HydrophobicContact CG-CG 3.97Å
29E98.4Very high97.6Very high137 Ų13766 Ų6664%0.6432%0.316SS*.Hα-helixtrans-67.8-44.3174.3-68.7176.1-170.200112.3A25 Y26 R27 I31 I32 K33A25-E29 PolarHBondContact O-N 3.47Å; A25-E29 VanDerWaalsContact O-N 3.13Å; Y26-E29 PolarHBondContact O-N 2.94Å; R27-E29 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 3.01Å; E29-I32 PolarHBondContact O-N 2.91Å; E29-K33 WeakPolarHBondContact O-CB 3.19Å; E29-K33 PolarHBondContact O-N 2.88Å
30A98.4Very high97.8Very high11 Ų1165.3 Ų65.39%0.09131%0.31CS..Hα-helixtrans-62.9-43.9-176.800000112.5Y26 R27 I32 K33 S34 L41 Y386Y26-A30 HydrophobicContact CE1-CB 4.33Å; Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 3.39Å; R27-A30 PolarHBondContact O-N 3.22Å; A30-I32 PolarHBondContact O-N 3.15Å; A30-K33 PolarHBondContact O-N 2.84Å; A30-S34 PolarHBondContact O-N 3.23Å; A30-L41 HydrophobicContact CB-CD2 4.35Å; A30-Y386 HydrophobicContact CB-CE1 4.29Å
31I98.6Very high98Very high1 Ų160.8 Ų60.81%0.00529%0.291CS..Hα-helixtrans-69.3-33.5179.2-164.661.6000112.3R27 E28 E29 S34 G35 M36 L41 C383 Y386 K387R27-I31 WeakPolarHBondContact O-CG2 3.35Å; R27-I31 PolarHBondContact O-N 3.49Å; E28-I31 WeakPolarHBondContact O-CG2 3.46Å; E29-I31 PolarHBondContact O-N 3.01Å; I31-S34 PolarHBondContact O-OG 3.23Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; I31-G35 PolarHBondContact O-N 3.08Å; I31-M36 HydrophobicContact CG1-SD 4.06Å; I31-M36 HydrophobicContact CG2-SD 4.04Å; I31-M36 WeakPolarHBondContact O-CA 3.26Å; I31-M36 PolarHBondContact O-N 2.89Å; I31-L41 HydrophobicContact CD1-CD1 4.04Å; I31-L41 HydrophobicContact CD1-CD2 4.15Å; I31-L41 HydrophobicContact CD1-CG 4.2Å; I31-C383 HydrophobicContact CD1-CB 4.44Å; I31-C383 HydrophobicContact CG1-CB 3.97Å; I31-Y386 HydrophobicContact CB-CD1 3.8Å; I31-Y386 HydrophobicContact CB-CE1 4Å; I31-Y386 HydrophobicContact CD1-CD1 4.14Å; I31-Y386 HydrophobicContact CG1-CD1 4.21Å; I31-K387 HydrophobicContact CG2-CD 4.07Å; I31-K387 HydrophobicContact CG2-CG 3.82Å
32I98.3Very high98.1Very high119 Ų11955.4 Ų55.461%0.6128%0.277SS*.Hα-helixtrans-67.4-44.9173.5-68.2169.1000109.7E28 E29 A30 S34 G35 M36E28-I32 WeakPolarHBondContact O-CD1 3.32Å; E28-I32 VanDerWaalsContact O-CG1 3.27Å; E28-I32 WeakPolarHBondContact O-CG1 3.48Å; E28-I32 PolarHBondContact O-N 3.4Å; E29-I32 PolarHBondContact O-N 2.91Å; A30-I32 PolarHBondContact O-N 3.15Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.05Å; I32-G35 WeakPolarHBondContact O-CA 3.35Å; I32-G35 PolarHBondContact O-N 3.18Å; I32-M36 HydrophobicContact CG1-SD 4.23Å
33K98.1Very high98.1Very high175 Ų17558.5 Ų58.576%0.76130%0.3SS*.Hα-helixtrans-61.5-36.5177.5-175.6-172.6172.8-163.30112.2E29 A30 G35E29-K33 WeakPolarHBondContact O-CB 3.19Å; E29-K33 PolarHBondContact O-N 2.88Å; A30-K33 PolarHBondContact O-N 2.84Å; K33-G35 PolarHBondContact O-N 3Å
34S98.1Very high98Very high11 Ų1159.9 Ų59.98%0.07730%0.3CS..THydrogen-bonded Turntrans-74.21.8174.282.70000113.3A30 I31 I32 N37 L40A30-S34 PolarHBondContact O-N 3.23Å; I31-S34 PolarHBondContact O-OG 3.23Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 3.05Å; S34-N37 PolarHBondContact OG-O 2.95Å; S34-N37 VanDerWaalsContact OG-O 3.08Å; S34-L40 WeakPolarHBondContact CB-O 3.33Å; S34-L40 WeakPolarHBondContact O-CD1 3.44Å
35G98.4Very high98Very high9 Ų954.5 Ų54.59%0.09328%0.28CS..THydrogen-bonded Turntrans72.635.6-179.700000112.7I31 I32 K33 N37 L468I31-G35 PolarHBondContact O-N 3.08Å; I32-G35 WeakPolarHBondContact O-CA 3.35Å; I32-G35 PolarHBondContact O-N 3.18Å; K33-G35 PolarHBondContact O-N 3Å; G35-N37 PolarHBondContact O-N 3.27Å; G35-L468 PolarHBondContact O-N 3.22Å
36M98.5Very high97.9Very high10 Ų1052.3 Ų52.35%0.04926%0.261CS..SBendtrans53.336.5-177.4-59-71.1-73.600111.9I31 I32 Q379 C383 L452 L468 E470I31-M36 HydrophobicContact CG1-SD 4.06Å; I31-M36 HydrophobicContact CG2-SD 4.04Å; I31-M36 WeakPolarHBondContact O-CA 3.26Å; I31-M36 PolarHBondContact O-N 2.89Å; I32-M36 HydrophobicContact CG1-SD 4.23Å; M36-Q379 PolarHBondContact O-NE2 3.12Å; M36-Q379 VanDerWaalsContact O-NE2 3.15Å; M36-C383 HydrophobicContact CE-CB 3.87Å; M36-C383 PolarHBondContact O-SG 3.43Å; M36-C383 VanDerWaalsContact O-SG 3.4Å; M36-L452 HydrophobicContact CB-CD1 4.49Å; M36-L452 HydrophobicContact CB-CD2 4.2Å; M36-L452 HydrophobicContact CE-CD2 3.7Å; M36-L452 HydrophobicContact CG-CD2 4.34Å; M36-L468 HydrophobicContact CB-CB 4.01Å; M36-E470 HydrophobicContact CE-CG 3.91Å
37N98.5Very high97.9Very high0 Ų049.4 Ų49.40%025%0.25CS..  trans-125.2110.6177.8-170.4-16.2000110S34 G35 F39 L40 H463 A466S34-N37 PolarHBondContact OG-O 2.95Å; S34-N37 VanDerWaalsContact OG-O 3.08Å; G35-N37 PolarHBondContact O-N 3.27Å; N37-F39 PolarHBondContact O-N 2.76Å; N37-F39 WeakPolarHBondContact OD1-CB 3.31Å; N37-F39 PolarHBondContact OD1-N 2.72Å; N37-L40 HydrophobicContact CB-CB 4.42Å; N37-L40 HydrophobicContact CB-CD1 4.11Å; N37-L40 HydrophobicContact CB-CG 4.12Å; N37-L40 PolarHBondContact O-N 3.17Å; N37-H463 PolarHBondContact ND2-O 2.81Å; N37-H463 PolarHBondContact OD1-O 2.78Å; N37-A466 WeakPolarHBondContact CB-O 3.37Å; N37-A466 PolarHBondContact ND2-O 3.28Å
38P98.4Very high97.9Very high2 Ų248.3 Ų48.31%0.01325%0.246CC..G310 helixtrans-59.4-27.1177.7-25.435000114.5L40 L41 A382 R392P38-L40 PolarHBondContact O-N 3.19Å; P38-L41 HydrophobicContact CB-CD1 4.35Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 3.5Å; P38-A382 HydrophobicContact CG-CB 3.96Å; P38-R392 HydrophobicContact CB-CG 4Å; P38-R392 WeakPolarHBondContact O-CD 3.47Å
39F97.9Very high97.9Very high53 Ų5346.5 Ų46.523%0.23224%0.238CC..G310 helixtrans-63.7-24.1174.2-81.8-81.2000113.4N37 L51 V394 H463 F464N37-F39 PolarHBondContact O-N 2.76Å; N37-F39 WeakPolarHBondContact OD1-CB 3.31Å; N37-F39 PolarHBondContact OD1-N 2.72Å; F39-L51 HydrophobicContact CD1-CD1 4.21Å; F39-L51 HydrophobicContact CD1-CD2 3.76Å; F39-L51 HydrophobicContact CD1-CG 4.36Å; F39-L51 HydrophobicContact CD2-CD1 4.34Å; F39-L51 HydrophobicContact CE1-CD1 4.1Å; F39-L51 HydrophobicContact CE1-CD2 3.78Å; F39-L51 HydrophobicContact CE1-CG 4.05Å; F39-L51 HydrophobicContact CE2-CD1 4.26Å; F39-L51 HydrophobicContact CG-CD1 4.32Å; F39-L51 HydrophobicContact CZ-CD1 4.13Å; F39-L51 HydrophobicContact CZ-CG 4.38Å; F39-V394 HydrophobicContact CD2-CG2 4.49Å; F39-V394 HydrophobicContact CE2-CB 4.48Å; F39-V394 HydrophobicContact CE2-CG2 3.44Å; F39-V394 VanDerWaalsContact CE2-CG2 3.44Å; F39-V394 HydrophobicContact CZ-CG2 3.77Å; F39-H463 WeakPolarHBondContact CD2-O 3.36Å; F39-H463 AromaticContact CE2-CD2 3.93Å; F39-F464 AromaticContact CD1-CD1 3.75Å; F39-F464 HydrophobicContact CD1-CD1 3.75Å; F39-F464 HydrophobicContact CD1-CE1 4.23Å; F39-F464 AromaticContact CE1-CD1 3.52Å; F39-F464 HydrophobicContact CE1-CD1 3.52Å; F39-F464 AromaticContact CE1-CE1 3.54Å; F39-F464 HydrophobicContact CE1-CE1 3.54Å; F39-F464 HydrophobicContact CE2-CD1 4.38Å; F39-F464 HydrophobicContact CG-CD1 4.29Å; F39-F464 AromaticContact CZ-CD1 3.86Å; F39-F464 HydrophobicContact CZ-CD1 3.86Å; F39-F464 AromaticContact CZ-CE1 3.76Å; F39-F464 HydrophobicContact CZ-CE1 3.76Å
40L98.1Very high97.9Very high61 Ų6140 Ų4032%0.31921%0.208SC..G310 helixtrans-98.17-177.7-58-176.9000112.7S34 N37 P38 K467S34-L40 WeakPolarHBondContact CB-O 3.33Å; S34-L40 WeakPolarHBondContact O-CD1 3.44Å; N37-L40 HydrophobicContact CB-CB 4.42Å; N37-L40 HydrophobicContact CB-CD1 4.11Å; N37-L40 HydrophobicContact CB-CG 4.12Å; N37-L40 PolarHBondContact O-N 3.17Å; P38-L40 PolarHBondContact O-N 3.19Å; L40-K467 HydrophobicContact CD1-CG 4.34Å
41L98.2Very high97.9Very high10 Ų1040.1 Ų40.15%0.05221%0.207CC..SBendtrans-76.1136169.8-70.2169.5000110.4A30 I31 P38 V46 Y386 R392A30-L41 HydrophobicContact CB-CD2 4.35Å; I31-L41 HydrophobicContact CD1-CD1 4.04Å; I31-L41 HydrophobicContact CD1-CD2 4.15Å; I31-L41 HydrophobicContact CD1-CG 4.2Å; P38-L41 HydrophobicContact CB-CD1 4.35Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 3.5Å; L41-V46 HydrophobicContact CB-CG2 4.28Å; L41-V46 HydrophobicContact CD1-CG2 4.45Å; L41-Y386 HydrophobicContact CD1-CD1 4.03Å; L41-Y386 HydrophobicContact CD1-CD2 3.58Å; L41-Y386 HydrophobicContact CD1-CE1 4.03Å; L41-Y386 HydrophobicContact CD1-CE2 3.62Å; L41-Y386 HydrophobicContact CD1-CG 3.8Å; L41-Y386 HydrophobicContact CD2-CD1 4.4Å; L41-Y386 HydrophobicContact CD2-CE1 3.75Å; L41-Y386 HydrophobicContact CD2-CE2 4.34Å; L41-R392 PolarHBondContact O-NH1 3.4Å
42D96.9Very high97.8Very high91 Ų9142 Ų4249%0.48722%0.218SC..  trans-68.2141.1171.4-65.1-45.2000110.1E44 D45D42-E44 HydrophobicContact CB-CG 4.23Å; D42-E44 PolarHBondContact O-N 3.23Å; D42-D45 WeakPolarHBondContact O-CB 2.93Å; D42-D45 PolarHBondContact O-N 3.44Å; D42-D45 VanDerWaalsContact O-N 3.08Å
43S95.7Very high97.7Very high89 Ų8936.4 Ų36.462%0.62219%0.19SC*.G310 helixtrans-64.7-28-17556.50000113.1D45 V46S43-D45 PolarHBondContact O-N 3.08Å; S43-V46 PolarHBondContact O-N 3.23Å
44E96Very high97.6Very high122 Ų12228.8 Ų28.857%0.5716%0.159SC*.G310 helixtrans-65.7-17.817665.3173.6150.900113.8D42D42-E44 HydrophobicContact CB-CG 4.23Å; D42-E44 PolarHBondContact O-N 3.23Å
45D96.9Very high97.5Very high10 Ų1029.4 Ų29.45%0.05317%0.167CC..G310 helixtrans-95.9-0.1-179.4-66.5-27.1000113Y26 D42 S43 Y386Y26-D45 HydrophobicContact CE1-CB 4.14Å; Y26-D45 WeakPolarHBondContact CE1-OD1 3.46Å; Y26-D45 VanDerWaalsContact CZ-OD1 3.25Å; Y26-D45 VanDerWaalsContact OH-CG 3.23Å; Y26-D45 PolarHBondContact OH-OD1 3.3Å; Y26-D45 PolarHBondContact OH-OD2 2.92Å; D42-D45 WeakPolarHBondContact O-CB 2.93Å; D42-D45 PolarHBondContact O-N 3.44Å; D42-D45 VanDerWaalsContact O-N 3.08Å; S43-D45 PolarHBondContact O-N 3.08Å; D45-Y386 VanDerWaalsContact O-CE2 3.32Å; D45-Y386 WeakPolarHBondContact O-CE2 3.44Å; D45-Y386 PolarHBondContact O-OH 3.38Å
46V98Very high97.3Very high9 Ų931.6 Ų31.66%0.05518%0.178CC..  trans-108.5125.5-177.5178.80000109.7L41 S43 I48 D49 Y386 R392L41-V46 HydrophobicContact CB-CG2 4.28Å; L41-V46 HydrophobicContact CD1-CG2 4.45Å; S43-V46 PolarHBondContact O-N 3.23Å; V46-I48 WeakPolarHBondContact CG1-O 3.45Å; V46-D49 HydrophobicContact CG1-CB 3.8Å; V46-Y386 HydrophobicContact CG2-CE2 4.27Å; V46-R392 HydrophobicContact CB-CB 4.48Å; V46-R392 HydrophobicContact CG1-CB 3.57Å; V46-R392 HydrophobicContact CG2-CB 4.01Å
47F98Very high97.1Very high26 Ų2632 Ų3211%0.11419%0.185CC..SBendtrans-87.9-43.5-180178.1-128.2000112.3V19 R21 G390 F434V19-F47 HydrophobicContact CB-CD2 4.28Å; V19-F47 HydrophobicContact CG2-CD2 3.8Å; V19-F47 HydrophobicContact CG2-CE2 3.68Å; R21-F47 HydrophobicContact CG-CD2 3.88Å; R21-F47 HydrophobicContact CG-CE2 3.73Å; R21-F47 HydrophobicContact CG-CG 4.44Å; R21-F47 HydrophobicContact CG-CZ 4.17Å; F47-G390 PolarHBondContact N-O 3.33Å; F47-F434 AromaticContact CD1-CE1 3.79Å; F47-F434 HydrophobicContact CD1-CE1 3.79Å; F47-F434 HydrophobicContact CD1-CZ 4.16Å; F47-F434 HydrophobicContact CE1-CD1 4.18Å; F47-F434 AromaticContact CE1-CE1 3.77Å; F47-F434 HydrophobicContact CE1-CE1 3.77Å; F47-F434 HydrophobicContact CE1-CZ 4.01Å
48I98.4Very high97Very high1 Ų134.1 Ų34.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-129.7120.9171.8-56.2179.5000107.6V46 L50 G390 I391 R392 Y427 H431 F434 I435V46-I48 WeakPolarHBondContact CG1-O 3.45Å; I48-L50 HydrophobicContact CG2-CD1 4.37Å; I48-L50 HydrophobicContact CG2-CD2 3.8Å; I48-L50 HydrophobicContact CG2-CG 3.9Å; I48-G390 PolarHBondContact N-O 3.34Å; I48-I391 HydrophobicContact CB-CG1 4.15Å; I48-I391 HydrophobicContact CB-CG2 4.49Å; I48-I391 HydrophobicContact CD1-CG1 4.4Å; I48-I391 CarbonylContact O-C 3.58Å; I48-I391 VanDerWaalsContact O-CA 3.27Å; I48-I391 WeakPolarHBondContact O-CA 3.47Å; I48-R392 PolarHBondContact O-N 3.45Å; I48-Y427 HydrophobicContact CG2-CD1 4.42Å; I48-Y427 HydrophobicContact CG2-CD2 4.25Å; I48-Y427 HydrophobicContact CG2-CE1 4.06Å; I48-Y427 HydrophobicContact CG2-CE2 3.88Å; I48-H431 HydrophobicContact CD1-CB 4.21Å; I48-F434 HydrophobicContact CD1-CD1 3.57Å; I48-F434 HydrophobicContact CD1-CE1 4.16Å; I48-I435 HydrophobicContact CD1-CG1 4.26Å; I48-I435 HydrophobicContact CG2-CD1 4.41Å
49D98.4Very high96.8Very high29 Ų2935.9 Ų35.916%0.15521%0.214CC..EExtended strand (participates in β ladder)trans-102.8107.1-178.6-164.94.7000111.8V46 L51 R392 Y427V46-D49 HydrophobicContact CG1-CB 3.8Å; D49-L51 WeakPolarHBondContact OD1-CB 3.31Å; D49-L51 PolarHBondContact OD1-N 3Å; D49-R392 IonicContact OD1-CZ 3.89Å; D49-R392 IonicContact OD1-NE 3.42Å; D49-R392 PolarHBondContact OD1-NE 3.38Å; D49-R392 IonicContact OD1-NH2 2.72Å; D49-R392 IonicContact OD2-CZ 3.54Å; D49-R392 IonicContact OD2-NE 3.23Å; D49-R392 PolarHBondContact OD2-NE 2.97Å; D49-R392 IonicContact OD2-NH2 3.93Å; D49-R392 PolarHBondContact OD2-NH2 3.06Å; D49-Y427 PolarHBondContact N-OH 3.02Å; D49-Y427 WeakPolarHBondContact O-CE2 3.4Å; D49-Y427 PolarHBondContact O-OH 3.05Å
50L98.6Very high96.8Very high0 Ų034.3 Ų34.30%021%0.209CC..  trans-11317.2177.9-50.5176.3000112I48 T52 I391 R392 L420 T421 Y427 I435I48-L50 HydrophobicContact CG2-CD1 4.37Å; I48-L50 HydrophobicContact CG2-CD2 3.8Å; I48-L50 HydrophobicContact CG2-CG 3.9Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.43Å; L50-I391 HydrophobicContact CD1-CG2 3.76Å; L50-I391 HydrophobicContact CG-CG2 4.2Å; L50-R392 CarbonylContact C-O 3.45Å; L50-R392 VanDerWaalsContact CA-O 3.25Å; L50-R392 WeakPolarHBondContact CA-O 3.37Å; L50-R392 WeakPolarHBondContact CB-O 3.39Å; L50-R392 PolarHBondContact N-O 3.32Å; L50-L420 HydrophobicContact CD1-CB 3.98Å; L50-L420 HydrophobicContact CD1-CD2 4.16Å; L50-T421 CarbonylContact C-O 3.55Å; L50-T421 WeakPolarHBondContact CA-O 3.28Å; L50-T421 WeakPolarHBondContact CB-O 3.43Å; L50-T421 WeakPolarHBondContact CD2-O 3.29Å; L50-T421 WeakPolarHBondContact O-CB 3.14Å; L50-T421 PolarHBondContact O-N 3.43Å; L50-Y427 HydrophobicContact CD2-CD2 4.08Å; L50-Y427 HydrophobicContact CD2-CE2 3.97Å; L50-I435 HydrophobicContact CD1-CD1 3.55Å; L50-I435 HydrophobicContact CD1-CG1 4.11Å; L50-I435 HydrophobicContact CD2-CD1 4.41Å
51L98.1Very high96.7Very high15 Ų1537.1 Ų37.18%0.07922%0.22CC..SBendtrans-59.6-43.4178.8-169.277.6000111.5F39 D49 R392 V394 R419F39-L51 HydrophobicContact CD1-CD1 4.21Å; F39-L51 HydrophobicContact CD1-CD2 3.76Å; F39-L51 HydrophobicContact CD1-CG 4.36Å; F39-L51 HydrophobicContact CD2-CD1 4.34Å; F39-L51 HydrophobicContact CE1-CD1 4.1Å; F39-L51 HydrophobicContact CE1-CD2 3.78Å; F39-L51 HydrophobicContact CE1-CG 4.05Å; F39-L51 HydrophobicContact CE2-CD1 4.26Å; F39-L51 HydrophobicContact CG-CD1 4.32Å; F39-L51 HydrophobicContact CZ-CD1 4.13Å; F39-L51 HydrophobicContact CZ-CG 4.38Å; D49-L51 WeakPolarHBondContact OD1-CB 3.31Å; D49-L51 PolarHBondContact OD1-N 3Å; L51-R392 HydrophobicContact CB-CG 4.09Å; L51-R392 HydrophobicContact CD1-CG 3.97Å; L51-R392 PolarHBondContact N-O 3.14Å; L51-V394 HydrophobicContact CD1-CB 3.9Å; L51-V394 HydrophobicContact CD1-CG2 4.42Å; L51-V394 VanDerWaalsContact O-CG1 3.31Å; L51-V394 WeakPolarHBondContact O-CG1 3.42Å; L51-R419 PolarHBondContact O-NH2 3.17Å
52T96.6Very high96.7Very high39 Ų3939.4 Ų39.424%0.23924%0.237CC..  trans-161.3152.2-175.9-1690000112L50 S54 T56L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.43Å; T52-S54 WeakPolarHBondContact OG1-CB 3.31Å; T52-S54 PolarHBondContact OG1-N 3.3Å; T52-S54 VanDerWaalsContact OG1-N 3.09Å; T52-T56 HydrophobicContact CG2-CG2 4.03Å; T52-T56 PolarHBondContact O-OG1 3.3Å
53D96Very high96.7Very high2 Ų235.1 Ų35.11%0.01121%0.214CC..  trans-93.54166.561-20.3000112.3G55 T56 R230 K269 R334 T421 R424D53-G55 PolarHBondContact O-N 2.76Å; D53-T56 VanDerWaalsContact C-OG1 3.25Å; D53-T56 VanDerWaalsContact CA-OG1 3.25Å; D53-T56 WeakPolarHBondContact CA-OG1 3.49Å; D53-R230 IonicContact OD1-CZ 3.66Å; D53-R230 IonicContact OD1-NH2 3.72Å; D53-R230 PolarHBondContact OD1-NH2 2.84Å; D53-R230 IonicContact OD2-CZ 2.64Å; D53-R230 IonicContact OD2-NE 3.78Å; D53-R230 PolarHBondContact OD2-NE 2.89Å; D53-R230 IonicContact OD2-NH2 3.39Å; D53-R230 PolarHBondContact OD2-NH2 2.85Å; D53-K269 VanDerWaalsContact O-O 3.06Å; D53-R334 IonicContact OD2-CZ 3.06Å; D53-R334 IonicContact OD2-NH2 3.63Å; D53-R334 PolarHBondContact OD2-NH2 2.91Å; D53-T421 HydrophobicContact CB-CG2 3.59Å; D53-R424 IonicContact OD2-CZ 2.68Å; D53-R424 IonicContact OD2-NH1 3.62Å; D53-R424 PolarHBondContact OD2-NH1 3.09Å; D53-R424 IonicContact OD2-NH2 3.92Å
54S95.7Very high96.8Very high16 Ų1634.4 Ų34.411%0.11220%0.2CC..SBendtrans-77.889-173.2179.90000112.4T52 T56 K269 K270T52-S54 WeakPolarHBondContact OG1-CB 3.31Å; T52-S54 PolarHBondContact OG1-N 3.3Å; T52-S54 VanDerWaalsContact OG1-N 3.09Å; S54-T56 VanDerWaalsContact C-N 3.27Å; S54-K269 CarbonylContact C-O 3.59Å; S54-K269 WeakPolarHBondContact CA-O 3.36Å; S54-K269 WeakPolarHBondContact O-CE 3.49Å; S54-K269 PolarHBondContact O-NZ 2.91Å; S54-K269 WeakPolarHBondContact OG-CE 3.3Å; S54-K270 VanDerWaalsContact CB-NZ 3.35Å; S54-K270 PolarHBondContact OG-NZ 3.25Å
55G95.6Very high96.9Very high24 Ų2431.2 Ų31.225%0.24720%0.195CC..SBendtrans79.914.7175.700000112.7D53 K269D53-G55 PolarHBondContact O-N 2.76Å; G55-K269 PolarHBondContact N-O 3.38Å
56T96Very high96.9Very high54 Ų5430.8 Ų30.833%0.33119%0.193SC..  trans-104.3-2.5178.253.80000112.2T52 D53 S54 T426T52-T56 HydrophobicContact CG2-CG2 4.03Å; T52-T56 PolarHBondContact O-OG1 3.3Å; D53-T56 VanDerWaalsContact C-OG1 3.25Å; D53-T56 VanDerWaalsContact CA-OG1 3.25Å; D53-T56 WeakPolarHBondContact CA-OG1 3.49Å; S54-T56 VanDerWaalsContact C-N 3.27Å; T56-T426 PolarHBondContact O-OG1 3.18Å
57G94.3Very high96.9Very high19 Ų1933 Ų3320%0.19620%0.203CC..SBendtrans-80.9161.2175.300000112.8R424G57-R424 CarbonylContact C-O 3.49Å; G57-R424 WeakPolarHBondContact CA-O 3.49Å
58A95.2Very high96.9Very high45 Ų4539.2 Ų39.237%0.37224%0.235SC..PPolyproline II helixtrans-71.8145.117000000111.1R424 A425A58-R424 PolarHBondContact N-O 3.14Å; A58-A425 HydrophobicContact CB-CB 4.13Å
59V95.7Very high96.8Very high39 Ų3947.2 Ų47.224%0.23627%0.265CS..PPolyproline II helixtrans-96.6155.6172.2-61.80000111.1M63 Q64 M273 P275V59-M63 HydrophobicContact CB-CB 4.26Å; V59-M63 HydrophobicContact CB-CE 4.22Å; V59-M63 HydrophobicContact CB-SD 4.1Å; V59-M63 HydrophobicContact CG1-CE 3.95Å; V59-M63 HydrophobicContact CG1-SD 4.45Å; V59-Q64 HydrophobicContact CG2-CG 3.81Å; V59-M273 WeakPolarHBondContact CG1-O 3.2Å; V59-P275 HydrophobicContact CG1-CG 3.9Å
60T96.1Very high96.7Very high20 Ų2046.9 Ų46.912%0.12327%0.268CS..PPolyproline II helixtrans-80.5159.3-178.480.80000111S62 M63 Q64 M273 D324 W330T60-S62 PolarHBondContact O-N 3.12Å; T60-S62 PolarHBondContact OG1-N 3.04Å; T60-M63 HydrophobicContact CG2-CG 4.41Å; T60-M63 HydrophobicContact CG2-SD 3.77Å; T60-M63 WeakPolarHBondContact O-CB 3.27Å; T60-M63 PolarHBondContact O-N 3.36Å; T60-M63 WeakPolarHBondContact OG1-CB 3.43Å; T60-M63 VanDerWaalsContact OG1-CG 3.25Å; T60-M63 WeakPolarHBondContact OG1-CG 3.16Å; T60-M63 PolarHBondContact OG1-N 2.87Å; T60-Q64 PolarHBondContact O-N 3.41Å; T60-Q64 VanDerWaalsContact O-N 3.09Å; T60-M273 HydrophobicContact CG2-CE 4.46Å; T60-D324 WeakPolarHBondContact CB-OD2 3.43Å; T60-D324 HydrophobicContact CG2-CB 4.33Å; T60-D324 WeakPolarHBondContact CG2-OD2 3.39Å; T60-D324 PolarHBondContact OG1-OD2 2.97Å; T60-W330 HydrophobicContact CG2-CH2 3.22Å; T60-W330 HydrophobicContact CG2-CZ2 4.41Å; T60-W330 HydrophobicContact CG2-CZ3 3.43Å; T60-W330 VanDerWaalsContact CG2-CZ3 3.43Å
61Q96.5Very high96.7Very high120 Ų12048 Ų4856%0.56127%0.274SS*.Hα-helixtrans-61.4-30.9173.763.5166.551.700112Q64 A65Q61-Q64 PolarHBondContact O-N 3.34Å; Q61-A65 PolarHBondContact O-N 2.99Å
62S97.6Very high96.6Very high58 Ų5853 Ų5341%0.40630%0.297SS..Hα-helixtrans-70.5-41.4179.2-57.40000110.6T60 Q64 A65 A66T60-S62 PolarHBondContact O-N 3.12Å; T60-S62 PolarHBondContact OG1-N 3.04Å; S62-Q64 VanDerWaalsContact C-N 3.32Å; S62-Q64 PolarHBondContact O-N 2.84Å; S62-A65 PolarHBondContact O-N 3.09Å; S62-A66 VanDerWaalsContact O-CB 3.32Å; S62-A66 WeakPolarHBondContact O-CB 3.32Å; S62-A66 PolarHBondContact O-N 2.84Å
63M97.7Very high96.5Very high0 Ų053.1 Ų53.10%030%0.302CS..Hα-helixtrans-58.5-41.8171.4-76.5173.485.200112V59 T60 M67 A272 M273 V274 R317 V320V59-M63 HydrophobicContact CB-CB 4.26Å; V59-M63 HydrophobicContact CB-CE 4.22Å; V59-M63 HydrophobicContact CB-SD 4.1Å; V59-M63 HydrophobicContact CG1-CE 3.95Å; V59-M63 HydrophobicContact CG1-SD 4.45Å; T60-M63 HydrophobicContact CG2-CG 4.41Å; T60-M63 HydrophobicContact CG2-SD 3.77Å; T60-M63 WeakPolarHBondContact O-CB 3.27Å; T60-M63 PolarHBondContact O-N 3.36Å; T60-M63 WeakPolarHBondContact OG1-CB 3.43Å; T60-M63 VanDerWaalsContact OG1-CG 3.25Å; T60-M63 WeakPolarHBondContact OG1-CG 3.16Å; T60-M63 PolarHBondContact OG1-N 2.87Å; M63-M67 PolarHBondContact O-N 3.28Å; M63-A272 VanDerWaalsContact CE-O 3.26Å; M63-A272 WeakPolarHBondContact CE-O 3.12Å; M63-M273 HydrophobicContact CE-CB 4.1Å; M63-M273 HydrophobicContact SD-CB 4.26Å; M63-V274 HydrophobicContact CE-CB 4.33Å; M63-V274 HydrophobicContact CE-CG1 3.49Å; M63-V274 VanDerWaalsContact CE-CG1 3.49Å; M63-R317 HydrophobicContact CB-CG 3.66Å; M63-R317 HydrophobicContact CE-CG 3.72Å; M63-R317 HydrophobicContact CG-CG 4.1Å; M63-V320 HydrophobicContact CG-CB 4.25Å; M63-V320 HydrophobicContact CG-CG1 3.91Å
64Q97.2Very high96.2Very high74 Ų7460.4 Ų60.435%0.34633%0.331SS..Hα-helixtrans-67.7-42.1175.7-68-69.613.800112.6V59 T60 Q61 S62 A66 M67 M68 R317V59-Q64 HydrophobicContact CG2-CG 3.81Å; T60-Q64 PolarHBondContact O-N 3.41Å; T60-Q64 VanDerWaalsContact O-N 3.09Å; Q61-Q64 PolarHBondContact O-N 3.34Å; S62-Q64 VanDerWaalsContact C-N 3.32Å; S62-Q64 PolarHBondContact O-N 2.84Å; Q64-A66 VanDerWaalsContact C-N 3.34Å; Q64-A66 PolarHBondContact O-N 2.86Å; Q64-M67 PolarHBondContact O-N 2.84Å; Q64-M68 PolarHBondContact O-N 3.19Å; Q64-R317 VanDerWaalsContact OE1-NH2 3.07Å
65A97.8Very high95.9Very high55 Ų5563 Ų6346%0.45535%0.349SS..Hα-helixtrans-65.1-37.317600000112.3Q61 S62 M68Q61-A65 PolarHBondContact O-N 2.99Å; S62-A65 PolarHBondContact O-N 3.09Å; A65-M68 PolarHBondContact O-N 3.21Å
66A98.2Very high95.5Very high1 Ų163.4 Ų63.41%0.00835%0.353CS..Hα-helixtrans-65.1-45175.800000111.5S62 Q64 M68 R69 E316 V320S62-A66 VanDerWaalsContact O-CB 3.32Å; S62-A66 WeakPolarHBondContact O-CB 3.32Å; S62-A66 PolarHBondContact O-N 2.84Å; Q64-A66 VanDerWaalsContact C-N 3.34Å; Q64-A66 PolarHBondContact O-N 2.86Å; A66-M68 PolarHBondContact O-N 2.93Å; A66-R69 PolarHBondContact O-N 3.13Å; A66-E316 HydrophobicContact CB-CB 4.08Å; A66-E316 VanDerWaalsContact O-CB 3.26Å; A66-E316 WeakPolarHBondContact O-CB 3.3Å; A66-V320 HydrophobicContact CB-CB 4.4Å; A66-V320 HydrophobicContact CB-CG2 3.58Å
67M97.6Very high95.5Very high56 Ų5660.9 Ų60.928%0.27634%0.337SS..Hα-helixtrans-52.8-41.1175.8-179.2-155.261.700112.5M63 Q64 R69 G70 G313 R317M63-M67 PolarHBondContact O-N 3.28Å; Q64-M67 PolarHBondContact O-N 2.84Å; M67-R69 PolarHBondContact O-N 3.18Å; M67-R69 VanDerWaalsContact O-N 3.12Å; M67-G70 PolarHBondContact O-N 2.98Å; M67-G70 VanDerWaalsContact O-N 3.11Å; M67-G313 WeakPolarHBondContact CA-O 3.33Å; M67-G313 WeakPolarHBondContact O-CA 3.37Å; M67-R317 HydrophobicContact CB-CB 4.47Å; M67-R317 PolarHBondContact SD-NH2 2.86Å
68M97.5Very high95.7Very high156 Ų15667.8 Ų67.877%0.76836%0.357SS*.THydrogen-bonded Turntrans-65.8-12.8179.8-67.1-179.817800114.2Q64 A65 A66Q64-M68 PolarHBondContact O-N 3.19Å; A65-M68 PolarHBondContact O-N 3.21Å; A66-M68 PolarHBondContact O-N 2.93Å
69R96.1Very high95.8Very high169 Ų16965.6 Ų65.664%0.63834%0.34SS*.THydrogen-bonded Turntrans-99.96.8177.5-61.4-175.6-64.5165.84.3113.1A66 M67 D71A66-R69 PolarHBondContact O-N 3.13Å; M67-R69 PolarHBondContact O-N 3.18Å; M67-R69 VanDerWaalsContact O-N 3.12Å; R69-D71 PolarHBondContact O-N 3.25Å
70G97.3Very high95.9Very high22 Ų2264.8 Ų64.823%0.22733%0.333CS..  trans-50.2129.1-179.900000113.2M67M67-G70 PolarHBondContact O-N 2.98Å; M67-G70 VanDerWaalsContact O-N 3.11Å
71D97.2Very high96Very high24 Ų2470.4 Ų70.413%0.12835%0.353CS..  trans-94.5104.7173.3-172.334.5000109.8R69 A73 S77 R78 S79R69-D71 PolarHBondContact O-N 3.25Å; D71-A73 PolarHBondContact O-N 3.26Å; D71-A73 VanDerWaalsContact O-N 3.11Å; D71-S77 VanDerWaalsContact O-CB 3.24Å; D71-S77 WeakPolarHBondContact O-CB 3.31Å; D71-S77 WeakPolarHBondContact OD2-CA 3.48Å; D71-R78 HydrophobicContact CB-CB 4.1Å; D71-R78 VanDerWaalsContact CG-NH1 3.3Å; D71-R78 IonicContact OD1-CZ 3.75Å; D71-R78 IonicContact OD1-NH1 2.75Å; D71-R78 PolarHBondContact OD1-NH1 2.88Å; D71-R78 IonicContact OD1-NH2 3.39Å; D71-R78 PolarHBondContact OD1-NH2 3.49Å; D71-R78 IonicContact OD2-CZ 2.63Å; D71-R78 VanDerWaalsContact OD2-CZ 3.28Å; D71-R78 PolarHBondContact OD2-N 3.15Å; D71-R78 IonicContact OD2-NE 3.6Å; D71-R78 IonicContact OD2-NH1 2.65Å; D71-R78 PolarHBondContact OD2-NH1 3.4Å; D71-R78 IonicContact OD2-NH2 3.62Å; D71-S79 PolarHBondContact N-OG 2.98Å
72E95.9Very high96.1Very high119 Ų11966.3 Ų66.356%0.55634%0.339SS*.  trans-83.121.5-173.8-54-54.2150.300113.6Y74 G312 G313E72-Y74 PolarHBondContact O-N 2.94Å; E72-G312 VanDerWaalsContact CD-N 3.31Å; E72-G312 WeakPolarHBondContact OE1-CA 3.32Å; E72-G312 PolarHBondContact OE1-N 3Å; E72-G312 VanDerWaalsContact OE1-N 3.15Å; E72-G312 PolarHBondContact OE2-N 3.04Å; E72-G313 PolarHBondContact OE1-N 3.29Å; E72-G313 VanDerWaalsContact OE1-N 3.08Å
73A95.4Very high96.1Very high42 Ų4263.6 Ų63.635%0.34732%0.32SS..  trans-64.2129.4174.300000110.4D71 S75D71-A73 PolarHBondContact O-N 3.26Å; D71-A73 VanDerWaalsContact O-N 3.11Å; A73-S75 PolarHBondContact O-N 3.49Å
74Y88.9Confident96.2Very high155 Ų15564.5 Ų64.561%0.60833%0.328SS*.SBendtrans-56.8-35.4-177.1-175.7-88000113.7E72 F304 Y307E72-Y74 PolarHBondContact O-N 2.94Å; Y74-F304 HydrophobicContact CE1-CB 4.31Å; Y74-F304 AromaticContact CE1-CD2 3.86Å; Y74-F304 HydrophobicContact CE1-CD2 3.86Å; Y74-F304 HydrophobicContact CE1-CE2 4.39Å; Y74-F304 HydrophobicContact CE1-CG 4.06Å; Y74-Y307 HydrophobicContact CD2-CE1 4.31Å; Y74-Y307 HydrophobicContact CE2-CE1 4.26Å; Y74-Y307 WeakPolarHBondContact O-CD1 3.19Å; Y74-Y307 WeakPolarHBondContact O-CE1 3.41Å
75S90.3Very high96.2Very high71 Ų7165.5 Ų65.550%0.49733%0.332SS..SBendtrans-141.6142.6178.81700000109.4A73 S77 F304A73-S75 PolarHBondContact O-N 3.49Å; S75-S77 VanDerWaalsContact C-N 3.34Å; S75-F304 VanDerWaalsContact CB-CE1 3.48Å; S75-F304 VanDerWaalsContact OG-CE1 3.26Å; S75-F304 WeakPolarHBondContact OG-CE1 3.44Å
76G88.1Confident96.3Very high32 Ų3263.5 Ų63.533%0.3332%0.315SS..SBendtrans69.330.3177.900000113.6
77S95.3Very high96.3Very high1 Ų163.5 Ų63.51%0.00732%0.315CS..  trans-63.7143.4177.665.20000111.8D71 S75 S79 Y80 Y81D71-S77 VanDerWaalsContact O-CB 3.24Å; D71-S77 WeakPolarHBondContact O-CB 3.31Å; D71-S77 WeakPolarHBondContact OD2-CA 3.48Å; S75-S77 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 3.25Å; S77-Y80 WeakPolarHBondContact O-CB 3.1Å; S77-Y80 PolarHBondContact O-N 3.07Å; S77-Y80 WeakPolarHBondContact OG-CB 3.47Å; S77-Y80 PolarHBondContact OG-N 3.28Å; S77-Y81 WeakPolarHBondContact O-CD2 3.37Å; S77-Y81 PolarHBondContact O-N 3.32Å
78R97.4Very high96.3Very high164 Ų16465.8 Ų65.862%0.61932%0.323SS*.Hα-helixtrans-56.9-34.6172-68.9-177.7-59.5-65.3-7.3111.4D71 Y80 Y81 A82D71-R78 HydrophobicContact CB-CB 4.1Å; D71-R78 VanDerWaalsContact CG-NH1 3.3Å; D71-R78 IonicContact OD1-CZ 3.75Å; D71-R78 IonicContact OD1-NH1 2.75Å; D71-R78 PolarHBondContact OD1-NH1 2.88Å; D71-R78 IonicContact OD1-NH2 3.39Å; D71-R78 PolarHBondContact OD1-NH2 3.49Å; D71-R78 IonicContact OD2-CZ 2.63Å; D71-R78 VanDerWaalsContact OD2-CZ 3.28Å; D71-R78 PolarHBondContact OD2-N 3.15Å; D71-R78 IonicContact OD2-NE 3.6Å; D71-R78 IonicContact OD2-NH1 2.65Å; D71-R78 PolarHBondContact OD2-NH1 3.4Å; D71-R78 IonicContact OD2-NH2 3.62Å; R78-Y80 PolarHBondContact O-N 3.17Å; R78-Y81 PolarHBondContact O-N 2.88Å; R78-A82 PolarHBondContact O-N 2.99Å
79S98.1Very high96.4Very high0 Ų061.4 Ų61.40%030%0.303CS..Hα-helixtrans-66.7-33.6179.1-55.60000113.5D71 S77 A82 L83 G312 E316D71-S79 PolarHBondContact N-OG 2.98Å; S77-S79 PolarHBondContact O-N 3.25Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 PolarHBondContact O-N 2.83Å; S79-L83 VanDerWaalsContact O-N 3.07Å; S79-G312 WeakPolarHBondContact CB-O 3.21Å; S79-E316 WeakPolarHBondContact CA-OE1 3.26Å; S79-E316 VanDerWaalsContact CB-OE1 3.31Å; S79-E316 WeakPolarHBondContact CB-OE1 3.36Å; S79-E316 VanDerWaalsContact OG-CG 3.3Å; S79-E316 WeakPolarHBondContact OG-CG 3.43Å; S79-E316 PolarHBondContact OG-OE1 3Å
80Y98.2Very high96.5Very high22 Ų2253.4 Ų53.49%0.08627%0.273CS..Hα-helixtrans-60.7-48.1169.6169.4-106.4000111.4S77 R78 A82 L83 A84 T96 P98 T306S77-Y80 WeakPolarHBondContact O-CB 3.1Å; S77-Y80 PolarHBondContact O-N 3.07Å; S77-Y80 WeakPolarHBondContact OG-CB 3.47Å; S77-Y80 PolarHBondContact OG-N 3.28Å; R78-Y80 PolarHBondContact O-N 3.17Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 3.34Å; Y80-L83 PolarHBondContact O-N 3.17Å; Y80-A84 HydrophobicContact CE1-CB 4.44Å; Y80-A84 HydrophobicContact CE2-CB 4.42Å; Y80-A84 WeakPolarHBondContact O-CB 3.07Å; Y80-A84 PolarHBondContact O-N 3.01Å; Y80-T96 PolarHBondContact OH-O 3.25Å; Y80-P98 HydrophobicContact CD2-CG 3.96Å; Y80-P98 HydrophobicContact CE2-CG 4.24Å; Y80-T306 VanDerWaalsContact CB-O 3.3Å; Y80-T306 WeakPolarHBondContact CB-O 3.39Å; Y80-T306 HydrophobicContact CD1-CG2 3.81Å; Y80-T306 VanDerWaalsContact CD2-CA 3.46Å; Y80-T306 HydrophobicContact CD2-CG2 4.16Å; Y80-T306 WeakPolarHBondContact CD2-O 3.42Å; Y80-T306 HydrophobicContact CE1-CG2 3.9Å; Y80-T306 HydrophobicContact CE2-CG2 4.22Å; Y80-T306 HydrophobicContact CG-CG2 3.95Å
81Y97.8Very high96.6Very high138 Ų13852.5 Ų52.554%0.54126%0.262SS..Hα-helixtrans-65.9-37.1-178.5-64.1-70000112S77 R78 L83 E85S77-Y81 WeakPolarHBondContact O-CD2 3.37Å; S77-Y81 PolarHBondContact O-N 3.32Å; R78-Y81 PolarHBondContact O-N 2.88Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 3.49Å; Y81-E85 WeakPolarHBondContact O-CB 3.4Å; Y81-E85 PolarHBondContact O-N 2.99Å
82A98.1Very high96.6Very high34 Ų3452.3 Ų52.328%0.28127%0.266SS..Hα-helixtrans-60.5-43.1172.700000112R78 S79 Y80 S86R78-A82 PolarHBondContact O-N 2.99Å; S79-A82 PolarHBondContact O-N 3.5Å; Y80-A82 VanDerWaalsContact C-N 3.34Å; Y80-A82 PolarHBondContact O-N 3.34Å; A82-S86 PolarHBondContact O-N 3.46Å; A82-S86 VanDerWaalsContact O-N 3.09Å; A82-S86 PolarHBondContact O-OG 3.24Å
83L98.5Very high96.8Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-67.1-49.8176.6178.557.3000112.3S79 Y80 Y81 E85 S86 V87 P98 L279 M315 L318 A319 L322S79-L83 WeakPolarHBondContact O-CB 3.34Å; S79-L83 PolarHBondContact O-N 2.83Å; S79-L83 VanDerWaalsContact O-N 3.07Å; Y80-L83 PolarHBondContact O-N 3.17Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 3.49Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 2.9Å; L83-S86 WeakPolarHBondContact O-CB 3.22Å; L83-S86 PolarHBondContact O-N 2.88Å; L83-S86 VanDerWaalsContact O-N 3.16Å; L83-V87 HydrophobicContact CD1-CG2 4.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; L83-P98 HydrophobicContact CD2-CB 4.12Å; L83-P98 HydrophobicContact CD2-CG 3.96Å; L83-L279 HydrophobicContact CD1-CD2 4.19Å; L83-L279 HydrophobicContact CD2-CD2 4.06Å; L83-L279 HydrophobicContact CG-CD2 4.24Å; L83-M315 HydrophobicContact CD2-CB 4.14Å; L83-M315 HydrophobicContact CD2-CG 4.01Å; L83-M315 HydrophobicContact CD2-SD 4.43Å; L83-L318 HydrophobicContact CD1-CB 4.23Å; L83-L318 HydrophobicContact CD1-CD2 3.87Å; L83-L318 HydrophobicContact CD1-CG 3.64Å; L83-L318 HydrophobicContact CD2-CD2 3.93Å; L83-L318 HydrophobicContact CD2-CG 4.49Å; L83-A319 HydrophobicContact CD1-CB 4.42Å; L83-L322 HydrophobicContact CD1-CD1 4.03Å
84A98.4Very high96.9Very high20 Ų2049.6 Ų49.617%0.16525%0.247CC..Hα-helixtrans-60.6-39.1179.400000111.9Y80 V87 K88Y80-A84 HydrophobicContact CE1-CB 4.44Å; Y80-A84 HydrophobicContact CE2-CB 4.42Å; Y80-A84 WeakPolarHBondContact O-CB 3.07Å; Y80-A84 PolarHBondContact O-N 3.01Å; A84-V87 PolarHBondContact O-N 2.95Å; A84-K88 WeakPolarHBondContact O-CB 3.48Å; A84-K88 PolarHBondContact O-N 3.46Å
85E98.5Very high97.3Very high95 Ų9544.3 Ų44.344%0.44423%0.226SC..Hα-helixtrans-66-41.1175.4-174.658.4-15800111.6Y81 L83 V87 K88 N89Y81-E85 WeakPolarHBondContact O-CB 3.4Å; Y81-E85 PolarHBondContact O-N 2.99Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 2.9Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.23Å; E85-K88 PolarHBondContact O-N 3.07Å; E85-N89 WeakPolarHBondContact O-CB 3.35Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.28Å; E85-N89 PolarHBondContact O-ND2 2.97Å; E85-N89 VanDerWaalsContact O-ND2 3.14Å; E85-N89 PolarHBondContact OE1-ND2 2.76Å; E85-N89 VanDerWaalsContact OE1-ND2 3.08Å; E85-N89 PolarHBondContact OE1-OD1 2.88Å
86S98.6Very high97.7Very high13 Ų1341 Ų419%0.09120%0.202CC..Hα-helixtrans-60.7-43.7174.1-56.20000111.4A82 L83 N89 I90A82-S86 PolarHBondContact O-N 3.46Å; A82-S86 VanDerWaalsContact O-N 3.09Å; A82-S86 PolarHBondContact O-OG 3.24Å; L83-S86 WeakPolarHBondContact O-CB 3.22Å; L83-S86 PolarHBondContact O-N 2.88Å; L83-S86 VanDerWaalsContact O-N 3.16Å; S86-N89 PolarHBondContact O-N 3.02Å; S86-I90 WeakPolarHBondContact O-CB 3.34Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.37Å; S86-I90 PolarHBondContact O-N 3.31Å
87V98.7Very high98.2Very high0 Ų039.4 Ų39.40%019%0.187CC..Hα-helixtrans-60.7-46.4175.1168.20000111.3L83 A84 E85 N89 I90 F91 G92 T96 L279 C281 L322L83-V87 HydrophobicContact CD1-CG2 4.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; A84-V87 PolarHBondContact O-N 2.95Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.23Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 3.41Å; V87-I90 PolarHBondContact O-N 3.48Å; V87-F91 HydrophobicContact CB-CD2 4.31Å; V87-F91 HydrophobicContact CG1-CD2 4Å; V87-F91 HydrophobicContact CG2-CD2 4.48Å; V87-F91 WeakPolarHBondContact O-CB 3.25Å; V87-F91 WeakPolarHBondContact O-CD2 3.42Å; V87-F91 PolarHBondContact O-N 3.21Å; V87-G92 PolarHBondContact O-N 3.44Å; V87-T96 WeakPolarHBondContact CG1-OG1 3.33Å; V87-T96 HydrophobicContact CG2-CG2 4.09Å; V87-L279 HydrophobicContact CG2-CD1 3.87Å; V87-L279 HydrophobicContact CG2-CD2 4.12Å; V87-C281 HydrophobicContact CG1-CB 4.14Å; V87-L322 HydrophobicContact CG2-CD1 4.34Å
88K98.6Very high98.3Very high105 Ų10539.4 Ų39.446%0.45719%0.186SC..Hα-helixtrans-62.5-38.6179.2-174-176.9178.5-175.70112.1A84 E85 G92 Y93 R255A84-K88 WeakPolarHBondContact O-CB 3.48Å; A84-K88 PolarHBondContact O-N 3.46Å; E85-K88 PolarHBondContact O-N 3.07Å; K88-G92 WeakPolarHBondContact O-CA 3.42Å; K88-G92 PolarHBondContact O-N 2.9Å; K88-G92 VanDerWaalsContact O-N 3.07Å; K88-Y93 WeakPolarHBondContact CA-O 3.38Å; K88-R255 PolarHBondContact O-NH1 3.23Å
89N98.5Very high98.4Very high64 Ų6431.6 Ų31.634%0.34216%0.157SC..Hα-helixtrans-71.8-46.4179.7-70.9-28.6000111.7E85 S86 V87 R255 Y323E85-N89 WeakPolarHBondContact O-CB 3.35Å; E85-N89 VanDerWaalsContact O-CG 3.25Å; E85-N89 PolarHBondContact O-N 3.28Å; E85-N89 PolarHBondContact O-ND2 2.97Å; E85-N89 VanDerWaalsContact O-ND2 3.14Å; E85-N89 PolarHBondContact OE1-ND2 2.76Å; E85-N89 VanDerWaalsContact OE1-ND2 3.08Å; E85-N89 PolarHBondContact OE1-OD1 2.88Å; S86-N89 PolarHBondContact O-N 3.02Å; V87-N89 VanDerWaalsContact C-N 3.31Å; V87-N89 PolarHBondContact O-N 3.41Å; N89-R255 PolarHBondContact O-NH1 3.35Å; N89-Y323 WeakPolarHBondContact CB-OH 3.11Å
90I98.7Very high98.3Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-75.5-50.5-175.7-63.1171.3000111.8S86 V87 F231 T254 L322 Y323 M326S86-I90 WeakPolarHBondContact O-CB 3.34Å; S86-I90 VanDerWaalsContact O-CG1 3.25Å; S86-I90 WeakPolarHBondContact O-CG1 3.37Å; S86-I90 PolarHBondContact O-N 3.31Å; V87-I90 PolarHBondContact O-N 3.48Å; I90-F231 HydrophobicContact CG2-CE2 4.23Å; I90-T254 HydrophobicContact CG2-CG2 3.8Å; I90-L322 HydrophobicContact CD1-CB 3.56Å; I90-Y323 HydrophobicContact CD1-CD1 4.06Å; I90-Y323 HydrophobicContact CD1-CD2 4.18Å; I90-Y323 HydrophobicContact CD1-CE1 3.93Å; I90-Y323 HydrophobicContact CD1-CE2 4.05Å; I90-Y323 HydrophobicContact CD1-CG 4.19Å; I90-Y323 HydrophobicContact CG1-CD1 4.33Å; I90-Y323 HydrophobicContact CG1-CE1 3.82Å; I90-M326 HydrophobicContact CB-CE 4.47Å; I90-M326 HydrophobicContact CD1-CE 3.8Å; I90-M326 HydrophobicContact CG1-CE 3.73Å; I90-M326 HydrophobicContact CG2-CE 3.99Å; I90-M326 HydrophobicContact CG2-SD 3.82Å
91F98.7Very high98.2Very high3 Ų334.6 Ų34.61%0.01317%0.171CC..Hα-helixtrans-100.1-23-170.9-53.6-68.7000113.2V87 Y93 F231 T254 Y258 L264 M266 L322V87-F91 HydrophobicContact CB-CD2 4.31Å; V87-F91 HydrophobicContact CG1-CD2 4Å; V87-F91 HydrophobicContact CG2-CD2 4.48Å; V87-F91 WeakPolarHBondContact O-CB 3.25Å; V87-F91 WeakPolarHBondContact O-CD2 3.42Å; V87-F91 PolarHBondContact O-N 3.21Å; F91-Y93 HydrophobicContact CB-CD1 4.11Å; F91-Y93 HydrophobicContact CB-CG 4.36Å; F91-Y93 WeakPolarHBondContact O-CD1 3.19Å; F91-F231 HydrophobicContact CE1-CD1 4.37Å; F91-F231 AromaticContact CE1-CD2 3.75Å; F91-F231 HydrophobicContact CE1-CD2 3.75Å; F91-F231 AromaticContact CE1-CE2 3.92Å; F91-F231 HydrophobicContact CE1-CE2 3.92Å; F91-F231 AromaticContact CE1-CG 3.98Å; F91-F231 HydrophobicContact CE1-CG 3.98Å; F91-F231 HydrophobicContact CE1-CZ 4.31Å; F91-F231 HydrophobicContact CZ-CD1 4.3Å; F91-F231 HydrophobicContact CZ-CD2 4.22Å; F91-F231 HydrophobicContact CZ-CE1 4.11Å; F91-F231 HydrophobicContact CZ-CE2 4.02Å; F91-F231 HydrophobicContact CZ-CG 4.35Å; F91-F231 AromaticContact CZ-CZ 3.96Å; F91-F231 HydrophobicContact CZ-CZ 3.96Å; F91-T254 HydrophobicContact CD1-CG2 3.91Å; F91-T254 HydrophobicContact CE1-CG2 3.83Å; F91-Y258 HydrophobicContact CB-CD1 4.28Å; F91-Y258 HydrophobicContact CB-CG 4.21Å; F91-Y258 AromaticContact CD1-CD1 3.92Å; F91-Y258 HydrophobicContact CD1-CD1 3.92Å; F91-Y258 AromaticContact CD1-CD2 3.57Å; F91-Y258 HydrophobicContact CD1-CD2 3.57Å; F91-Y258 AromaticContact CD1-CE1 3.74Å; F91-Y258 HydrophobicContact CD1-CE1 3.74Å; F91-Y258 AromaticContact CD1-CE2 3.39Å; F91-Y258 HydrophobicContact CD1-CE2 3.39Å; F91-Y258 AromaticContact CD1-CG 3.81Å; F91-Y258 HydrophobicContact CD1-CG 3.81Å; F91-Y258 AromaticContact CD1-CZ 3.45Å; F91-Y258 VanDerWaalsContact CD1-CZ 3.45Å; F91-Y258 HydrophobicContact CE1-CD2 4.25Å; F91-Y258 HydrophobicContact CE1-CE1 4.23Å; F91-Y258 AromaticContact CE1-CE2 3.62Å; F91-Y258 HydrophobicContact CE1-CE2 3.62Å; F91-Y258 AromaticContact CE1-CZ 3.58Å; F91-Y258 HydrophobicContact CG-CD1 4.44Å; F91-Y258 HydrophobicContact CG-CE1 4.47Å; F91-Y258 HydrophobicContact CG-CG 4.47Å; F91-Y258 WeakPolarHBondContact O-CB 3.47Å; F91-L264 HydrophobicContact CB-CD2 3.9Å; F91-L264 HydrophobicContact CD1-CD2 4.17Å; F91-L264 HydrophobicContact CD2-CD2 4.08Å; F91-L264 HydrophobicContact CG-CD2 3.76Å; F91-M266 HydrophobicContact CE1-CE 4.18Å; F91-M266 HydrophobicContact CE2-CE 4.26Å; F91-M266 HydrophobicContact CZ-CE 3.61Å; F91-L322 HydrophobicContact CE2-CD2 4.17Å; F91-L322 HydrophobicContact CZ-CD2 4.16Å
92G98.5Very high98.1Very high20 Ų2028.3 Ų28.321%0.20615%0.149CC..  trans80.616.8-174.800000114.9V87 K88V87-G92 PolarHBondContact O-N 3.44Å; K88-G92 WeakPolarHBondContact O-CA 3.42Å; K88-G92 PolarHBondContact O-N 2.9Å; K88-G92 VanDerWaalsContact O-N 3.07Å
93Y98.7Very high97.9Very high1 Ų130.6 Ų30.60%0.00415%0.15CC..  trans-94.7133.1-175.5-78.231.9000109.9K88 F91 Y258 A261 L264 C281 K283K88-Y93 WeakPolarHBondContact CA-O 3.38Å; F91-Y93 HydrophobicContact CB-CD1 4.11Å; F91-Y93 HydrophobicContact CB-CG 4.36Å; F91-Y93 WeakPolarHBondContact O-CD1 3.19Å; Y93-Y258 HydrophobicContact CE1-CD1 4.1Å; Y93-Y258 HydrophobicContact CE1-CG 4.43Å; Y93-Y258 WeakPolarHBondContact CE1-O 3.42Å; Y93-Y258 AromaticContact CZ-CD1 3.92Å; Y93-Y258 PolarHBondContact OH-O 3.32Å; Y93-A261 VanDerWaalsContact OH-C 3.29Å; Y93-A261 WeakPolarHBondContact OH-CB 3.31Å; Y93-A261 PolarHBondContact OH-O 3.36Å; Y93-L264 HydrophobicContact CD2-CD2 3.65Å; Y93-L264 HydrophobicContact CD2-CG 4.01Å; Y93-L264 HydrophobicContact CE2-CB 3.98Å; Y93-L264 HydrophobicContact CE2-CD2 3.76Å; Y93-L264 HydrophobicContact CE2-CG 3.97Å; Y93-L264 HydrophobicContact CG-CD2 4.1Å; Y93-C281 HydrophobicContact CD2-CB 3.77Å; Y93-C281 HydrophobicContact CG-CB 4.39Å; Y93-K283 HydrophobicContact CD1-CB 4.11Å; Y93-K283 HydrophobicContact CD1-CG 4.1Å; Y93-K283 HydrophobicContact CD2-CB 4.32Å; Y93-K283 HydrophobicContact CE1-CB 3.99Å; Y93-K283 HydrophobicContact CE1-CD 4.36Å; Y93-K283 HydrophobicContact CE1-CG 3.95Å; Y93-K283 HydrophobicContact CE2-CB 4.24Å; Y93-K283 HydrophobicContact CG-CB 4.29Å
94Q98.4Very high97.8Very high104 Ų10430.6 Ų30.649%0.48615%0.15SC..SBendtrans-81-33.6-172-67.5-177.138.300113.3M282 K283Q94-M282 PolarHBondContact N-O 3.18Å; Q94-K283 WeakPolarHBondContact CB-O 3.48Å; Q94-K283 WeakPolarHBondContact CG-O 3.43Å; Q94-K283 PolarHBondContact N-O 3.48Å
95Y98.5Very high97.8Very high43 Ų4329.6 Ų29.617%0.16914%0.142CC..EExtended strand (participates in β ladder)trans-115.8127.7-171.6-59.2-63.6000110.7C281 M282 D285 F288 Y291Y95-C281 CarbonylContact O-C 3.55Å; Y95-C281 WeakPolarHBondContact O-CA 3.49Å; Y95-C281 VanDerWaalsContact O-CB 3.22Å; Y95-C281 WeakPolarHBondContact O-CB 3.13Å; Y95-M282 HydrophobicContact CD2-CB 4.4Å; Y95-M282 PolarHBondContact N-O 3.42Å; Y95-M282 VanDerWaalsContact N-O 3.14Å; Y95-M282 PolarHBondContact O-N 3.11Å; Y95-D285 WeakPolarHBondContact CE2-OD1 3.41Å; Y95-D285 PolarHBondContact OH-OD1 2.93Å; Y95-F288 AromaticContact CE1-CD2 3.87Å; Y95-F288 HydrophobicContact CE1-CD2 3.87Å; Y95-F288 AromaticContact CE1-CE2 3.92Å; Y95-F288 HydrophobicContact CE1-CE2 3.92Å; Y95-F288 AromaticContact CE2-CD2 3.85Å; Y95-F288 HydrophobicContact CE2-CD2 3.85Å; Y95-F288 AromaticContact CZ-CD2 3.48Å; Y95-F288 VanDerWaalsContact CZ-CD2 3.48Å; Y95-F288 AromaticContact CZ-CE2 3.94Å; Y95-F288 WeakPolarHBondContact OH-CD2 3.37Å; Y95-Y291 AromaticContact CD1-CD1 3.77Å; Y95-Y291 HydrophobicContact CD1-CD1 3.77Å; Y95-Y291 AromaticContact CD1-CE1 3.56Å; Y95-Y291 HydrophobicContact CD1-CE1 3.56Å; Y95-Y291 HydrophobicContact CD1-CG 4.3Å; Y95-Y291 AromaticContact CD1-CZ 3.95Å; Y95-Y291 HydrophobicContact CE1-CD1 4.34Å; Y95-Y291 HydrophobicContact CE1-CE1 4.18Å; Y95-Y291 AromaticContact CG-CD1 3.9Å; Y95-Y291 HydrophobicContact CG-CD1 3.9Å; Y95-Y291 HydrophobicContact CG-CD2 4.33Å; Y95-Y291 HydrophobicContact CG-CE1 4.09Å; Y95-Y291 AromaticContact CG-CG 3.99Å; Y95-Y291 HydrophobicContact CG-CG 3.99Å
96T98.3Very high97.8Very high1 Ų125.5 Ų25.51%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-127.1129.1-175.1-60.20000110.3Y80 V87 L279Y80-T96 PolarHBondContact OH-O 3.25Å; V87-T96 WeakPolarHBondContact CG1-OG1 3.33Å; V87-T96 HydrophobicContact CG2-CG2 4.09Å; T96-L279 HydrophobicContact CG2-CD2 4.01Å
97I98.1Very high97.7Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-118.8110.4168.4-58.4175.6000106.8L280 M282 Y291 C294 R295 C298I97-L280 HydrophobicContact CB-CB 4.3Å; I97-L280 HydrophobicContact CD1-CD2 4.37Å; I97-L280 PolarHBondContact N-O 3.39Å; I97-L280 PolarHBondContact O-N 2.93Å; I97-M282 HydrophobicContact CD1-CE 4.47Å; I97-Y291 HydrophobicContact CD1-CD2 3.84Å; I97-Y291 HydrophobicContact CD1-CE2 4.03Å; I97-Y291 HydrophobicContact CG1-CD2 3.93Å; I97-Y291 HydrophobicContact CG1-CE2 3.68Å; I97-C294 HydrophobicContact CD1-CB 3.59Å; I97-R295 HydrophobicContact CD1-CG 3.83Å; I97-R295 HydrophobicContact CG1-CG 4.24Å; I97-C298 HydrophobicContact CG2-CB 4.25Å
98P98.1Very high97.7Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-63.9153.1170.1-16.331000110.2Y80 L83 P305 G308 L310 M315Y80-P98 HydrophobicContact CD2-CG 3.96Å; Y80-P98 HydrophobicContact CE2-CG 4.24Å; L83-P98 HydrophobicContact CD2-CB 4.12Å; L83-P98 HydrophobicContact CD2-CG 3.96Å; P98-P305 WeakPolarHBondContact CD-O 3.49Å; P98-G308 VanDerWaalsContact O-CA 3.29Å; P98-G308 WeakPolarHBondContact O-CA 3.21Å; P98-L310 HydrophobicContact CB-CD1 4.15Å; P98-M315 HydrophobicContact CB-SD 4.4Å; P98-M315 HydrophobicContact CG-SD 4.08Å
99T97.9Very high97.6Very high0 Ų022.7 Ų22.70%011%0.11CC..EExtended strand (participates in β ladder)trans-143.5161.5175.154.70000109.3Q101 A105 I108 G277 G278 L279 E302 G308 L310T99-Q101 VanDerWaalsContact C-N 3.28Å; T99-Q101 PolarHBondContact O-N 3.2Å; T99-Q101 PolarHBondContact OG1-O 3.43Å; T99-A105 HydrophobicContact CG2-CB 4.22Å; T99-I108 HydrophobicContact CG2-CD1 4.3Å; T99-G277 CarbonylContact O-C 3.56Å; T99-G278 PolarHBondContact N-O 2.66Å; T99-G278 WeakPolarHBondContact O-CA 3.49Å; T99-G278 PolarHBondContact O-N 3.39Å; T99-G278 WeakPolarHBondContact OG1-CA 3.46Å; T99-G278 PolarHBondContact OG1-O 3.48Å; T99-L279 PolarHBondContact OG1-N 3.25Å; T99-E302 WeakPolarHBondContact CA-OE1 3.47Å; T99-E302 VanDerWaalsContact CB-OE1 3.27Å; T99-E302 WeakPolarHBondContact CB-OE1 3.37Å; T99-E302 HydrophobicContact CG2-CG 4.16Å; T99-G308 CarbonylContact C-O 3.57Å; T99-G308 VanDerWaalsContact C-O 3.31Å; T99-G308 WeakPolarHBondContact CA-O 3.24Å; T99-L310 WeakPolarHBondContact O-CD1 3.47Å
100H96.2Very high97.6Very high51 Ų5119.6 Ų19.624%0.2369%0.093CC..SBendtrans-63.3-35.9178.276.5-81.3000111.5M276 G277 E302 G308H100-M276 VanDerWaalsContact O-CG 3.3Å; H100-M276 WeakPolarHBondContact O-CG 3.35Å; H100-G277 CarbonylContact O-C 3.21Å; H100-G277 VanDerWaalsContact O-C 3.31Å; H100-G277 VanDerWaalsContact O-CA 3.29Å; H100-G277 WeakPolarHBondContact O-CA 3.32Å; H100-G277 PolarHBondContact O-N 3.13Å; H100-E302 IonicContact CE1-OE1 2.89Å; H100-E302 IonicContact CE1-OE2 2.82Å; H100-E302 IonicContact CG-OE1 2.86Å; H100-E302 PolarHBondContact N-OE1 3.44Å; H100-E302 IonicContact ND1-OE1 3.4Å; H100-E302 PolarHBondContact ND1-OE1 2.89Å; H100-E302 IonicContact ND1-OE2 3.89Å; H100-E302 PolarHBondContact ND1-OE2 3.2Å; H100-E302 VanDerWaalsContact ND1-OE2 3.11Å; H100-G308 PolarHBondContact N-O 2.82Å
101Q95.7Very high97.6Very high34 Ų3421.1 Ų21.116%0.15910%0.103CC..SBendtrans-168.8-175.1171.369.2-160.9-35.300110.8T99 R103 G104 A105 K269 M276T99-Q101 VanDerWaalsContact C-N 3.28Å; T99-Q101 PolarHBondContact O-N 3.2Å; T99-Q101 PolarHBondContact OG1-O 3.43Å; Q101-R103 VanDerWaalsContact C-N 3.35Å; Q101-R103 HydrophobicContact CG-CG 3.73Å; Q101-R103 PolarHBondContact O-N 2.87Å; Q101-G104 WeakPolarHBondContact O-CA 3.32Å; Q101-G104 PolarHBondContact O-N 3.48Å; Q101-A105 PolarHBondContact O-N 3.4Å; Q101-K269 HydrophobicContact CB-CD 4.06Å; Q101-M276 HydrophobicContact CB-SD 4.38Å
102G95.9Very high97.6Very high6 Ų621.3 Ų21.36%0.06211%0.105CC..Hα-helixtrans-52.3-43-176.600000115G104 A105 E106G102-G104 PolarHBondContact O-N 3.14Å; G102-A105 WeakPolarHBondContact O-CA 3.43Å; G102-A105 WeakPolarHBondContact O-CB 3.44Å; G102-A105 PolarHBondContact O-N 3.4Å; G102-E106 WeakPolarHBondContact O-CG 3.41Å; G102-E106 PolarHBondContact O-N 3.21Å
103R95.5Very high97.6Very high82 Ų8220.5 Ų20.531%0.30910%0.095SC..Hα-helixtrans-59.6-30.9175.373.9-178.364.5-116.7-0.1113.8Q101 A105 E106 Q107Q101-R103 VanDerWaalsContact C-N 3.35Å; Q101-R103 HydrophobicContact CG-CG 3.73Å; Q101-R103 PolarHBondContact O-N 2.87Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-E106 PolarHBondContact O-N 3.01Å; R103-Q107 WeakPolarHBondContact O-CG 3.37Å; R103-Q107 PolarHBondContact O-N 2.84Å
104G96.3Very high97.6Very high0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-65.9-36.9174.300000111.9Q101 G102 Q107 I108 E302Q101-G104 WeakPolarHBondContact O-CA 3.32Å; Q101-G104 PolarHBondContact O-N 3.48Å; G102-G104 PolarHBondContact O-N 3.14Å; G104-Q107 VanDerWaalsContact O-CG 3.24Å; G104-Q107 WeakPolarHBondContact O-CG 3.46Å; G104-I108 VanDerWaalsContact O-CD1 3.29Å; G104-I108 WeakPolarHBondContact O-CD1 3.39Å; G104-I108 WeakPolarHBondContact O-CG1 3.34Å; G104-E302 WeakPolarHBondContact CA-OE2 3.47Å
105A98Very high97.6Very high0 Ų019.4 Ų19.40%09%0.089CC..Hα-helixtrans-69.4-47.2170.900000111.4T99 Q101 G102 R103 Q107 I108 Y109 A265 L280T99-A105 HydrophobicContact CG2-CB 4.22Å; Q101-A105 PolarHBondContact O-N 3.4Å; G102-A105 WeakPolarHBondContact O-CA 3.43Å; G102-A105 WeakPolarHBondContact O-CB 3.44Å; G102-A105 PolarHBondContact O-N 3.4Å; R103-A105 VanDerWaalsContact C-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.99Å; A105-I108 WeakPolarHBondContact O-CB 3.38Å; A105-I108 PolarHBondContact O-N 3.14Å; A105-Y109 WeakPolarHBondContact O-CD1 3.37Å; A105-Y109 PolarHBondContact O-N 3.25Å; A105-A265 HydrophobicContact CB-CB 4.19Å; A105-L280 HydrophobicContact CB-CB 3.89Å
106E98.3Very high97.6Very high9 Ų918.7 Ų18.74%0.0429%0.087CC..Hα-helixtrans-57.9-42.6-178.4-66.9158-156.900112.9G102 R103 I108 Y109 I110 T138 T139 H142G102-E106 WeakPolarHBondContact O-CG 3.41Å; G102-E106 PolarHBondContact O-N 3.21Å; R103-E106 PolarHBondContact O-N 3.01Å; E106-I108 PolarHBondContact O-N 2.83Å; E106-Y109 HydrophobicContact CB-CE1 4.32Å; E106-Y109 HydrophobicContact CG-CE1 4.11Å; E106-I110 HydrophobicContact CB-CD1 4.02Å; E106-I110 VanDerWaalsContact O-CB 3.32Å; E106-I110 WeakPolarHBondContact O-CB 3.49Å; E106-I110 WeakPolarHBondContact O-CD1 3.31Å; E106-I110 WeakPolarHBondContact O-CG1 3.07Å; E106-I110 PolarHBondContact O-N 3.22Å; E106-T138 VanDerWaalsContact CD-OG1 3.27Å; E106-T138 PolarHBondContact OE1-OG1 3.09Å; E106-T138 WeakPolarHBondContact OE2-CB 3.41Å; E106-T138 PolarHBondContact OE2-OG1 3.45Å; E106-T139 PolarHBondContact OE1-OG1 3.02Å; E106-T139 PolarHBondContact OE2-N 3.37Å; E106-H142 HydrophobicContact CB-CB 4.15Å; E106-H142 IonicContact OE2-CE1 3.49Å; E106-H142 PolarHBondContact OE2-CE1 3.43Å; E106-H142 IonicContact OE2-CG 3.11Å; E106-H142 IonicContact OE2-ND1 3.55Å; E106-H142 PolarHBondContact OE2-ND1 3.2Å
107Q96.3Very high97.6Very high56 Ų5619.1 Ų19.126%0.2629%0.088SC..Hα-helixtrans-65-19.9178.168.1174.2-20.100113.5R103 G104 A105 P111 Q301 E302R103-Q107 WeakPolarHBondContact O-CG 3.37Å; R103-Q107 PolarHBondContact O-N 2.84Å; G104-Q107 VanDerWaalsContact O-CG 3.24Å; G104-Q107 WeakPolarHBondContact O-CG 3.46Å; A105-Q107 PolarHBondContact O-N 2.99Å; Q107-P111 WeakPolarHBondContact O-CD 3.44Å; Q107-P111 VanDerWaalsContact O-CG 3.27Å; Q107-P111 WeakPolarHBondContact O-CG 2.96Å; Q107-Q301 PolarHBondContact O-OE1 3.22Å; Q107-E302 PolarHBondContact NE2-OE2 3.03Å
108I97.7Very high97.6Very high0 Ų021.9 Ų21.90%010%0.101CC..Hα-helixtrans-93.2-59-178.8-65.8170.1000110.9T99 G104 A105 E106 P111 V112 L280 C294 L297 C298 E302T99-I108 HydrophobicContact CG2-CD1 4.3Å; G104-I108 VanDerWaalsContact O-CD1 3.29Å; G104-I108 WeakPolarHBondContact O-CD1 3.39Å; G104-I108 WeakPolarHBondContact O-CG1 3.34Å; A105-I108 WeakPolarHBondContact O-CB 3.38Å; A105-I108 PolarHBondContact O-N 3.14Å; E106-I108 PolarHBondContact O-N 2.83Å; I108-P111 WeakPolarHBondContact O-CD 3.49Å; I108-P111 WeakPolarHBondContact O-CG 3.21Å; I108-V112 WeakPolarHBondContact O-CG2 3.49Å; I108-L280 HydrophobicContact CB-CD2 4.21Å; I108-L280 HydrophobicContact CG2-CD2 3.8Å; I108-C294 VanDerWaalsContact CG2-CA 3.49Å; I108-C294 HydrophobicContact CG2-CB 3.49Å; I108-C294 VanDerWaalsContact CG2-CB 3.49Å; I108-C294 WeakPolarHBondContact CG2-O 3.31Å; I108-L297 HydrophobicContact CG2-CB 4.22Å; I108-C298 HydrophobicContact CD1-CB 3.88Å; I108-E302 HydrophobicContact CD1-CB 3.96Å; I108-E302 HydrophobicContact CD1-CG 4.17Å
109Y98.2Very high97.5Very high2 Ų228.6 Ų28.61%0.00813%0.133CC..Hα-helixtrans-74.7-33.3-167.881-101.7000112.9A105 E106 V112 L113 V225 A265 L280A105-Y109 WeakPolarHBondContact O-CD1 3.37Å; A105-Y109 PolarHBondContact O-N 3.25Å; E106-Y109 HydrophobicContact CB-CE1 4.32Å; E106-Y109 HydrophobicContact CG-CE1 4.11Å; Y109-V112 PolarHBondContact O-N 2.94Å; Y109-L113 HydrophobicContact CD2-CD1 3.71Å; Y109-L113 HydrophobicContact CD2-CG 4.36Å; Y109-L113 HydrophobicContact CE2-CD1 4.27Å; Y109-L113 WeakPolarHBondContact O-CG 3.17Å; Y109-L113 PolarHBondContact O-N 3.1Å; Y109-V225 HydrophobicContact CD2-CG2 4.17Å; Y109-V225 HydrophobicContact CE1-CG1 4.47Å; Y109-V225 HydrophobicContact CE2-CB 4.44Å; Y109-V225 HydrophobicContact CE2-CG1 4.18Å; Y109-V225 HydrophobicContact CE2-CG2 3.86Å; Y109-A265 HydrophobicContact CD1-CB 4.18Å; Y109-A265 HydrophobicContact CE1-CB 3.66Å; Y109-L280 HydrophobicContact CD1-CD1 3.98Å; Y109-L280 HydrophobicContact CG-CD1 4.14Å
110I98.6Very high97.5Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-59.9-55-176.6-69.8173.6000111.6E106 V112 L113 I114 H142 N146 Y190E106-I110 HydrophobicContact CB-CD1 4.02Å; E106-I110 VanDerWaalsContact O-CB 3.32Å; E106-I110 WeakPolarHBondContact O-CB 3.49Å; E106-I110 WeakPolarHBondContact O-CD1 3.31Å; E106-I110 WeakPolarHBondContact O-CG1 3.07Å; E106-I110 PolarHBondContact O-N 3.22Å; I110-V112 PolarHBondContact O-N 3.43Å; I110-L113 PolarHBondContact O-N 2.86Å; I110-I114 HydrophobicContact CG2-CD1 3.81Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 3.06Å; I110-I114 VanDerWaalsContact O-N 3.1Å; I110-H142 HydrophobicContact CD1-CB 3.47Å; I110-H142 VanDerWaalsContact CD1-CB 3.47Å; I110-N146 HydrophobicContact CG2-CB 4.19Å; I110-Y190 HydrophobicContact CG1-CE1 4.42Å; I110-Y190 HydrophobicContact CG2-CE1 4.27Å
111P98.1Very high97.6Very high31 Ų3134.1 Ų34.120%0.20116%0.158CC..Hα-helixtrans-62.5-31.9177.822.4-32.6000112.9Q107 I108 K115 L297Q107-P111 WeakPolarHBondContact O-CD 3.44Å; Q107-P111 VanDerWaalsContact O-CG 3.27Å; Q107-P111 WeakPolarHBondContact O-CG 2.96Å; I108-P111 WeakPolarHBondContact O-CD 3.49Å; I108-P111 WeakPolarHBondContact O-CG 3.21Å; P111-K115 VanDerWaalsContact O-CB 3.32Å; P111-K115 WeakPolarHBondContact O-CB 3.18Å; P111-K115 PolarHBondContact O-N 2.83Å; P111-L297 HydrophobicContact CG-CD1 4.03Å
112V98.4Very high97.7Very high8 Ų835.2 Ų35.25%0.04818%0.178CC..Hα-helixtrans-67.3-47.1177.6174.50000111.5I108 Y109 I110 I114 K115 K116 V290 E293 L297I108-V112 WeakPolarHBondContact O-CG2 3.49Å; Y109-V112 PolarHBondContact O-N 2.94Å; I110-V112 PolarHBondContact O-N 3.43Å; V112-I114 VanDerWaalsContact C-N 3.34Å; V112-I114 PolarHBondContact O-N 3.15Å; V112-K115 PolarHBondContact O-N 3.38Å; V112-K116 WeakPolarHBondContact O-CB 3.33Å; V112-K116 PolarHBondContact O-N 3.09Å; V112-V290 HydrophobicContact CG1-CB 4.29Å; V112-V290 HydrophobicContact CG1-CG1 3.82Å; V112-V290 HydrophobicContact CG1-CG2 4.41Å; V112-E293 HydrophobicContact CB-CB 4.49Å; V112-E293 HydrophobicContact CG1-CB 3.66Å; V112-E293 HydrophobicContact CG1-CG 4.45Å; V112-E293 HydrophobicContact CG2-CB 3.93Å; V112-L297 HydrophobicContact CG2-CD1 3.55Å; V112-L297 HydrophobicContact CG2-CG 4.45Å
113L98.7Very high97.8Very high2 Ų235.4 Ų35.41%0.0118%0.177CC..Hα-helixtrans-66.2-37.4179.1-68.4-177.5000112.3Y109 I110 R117 Y190 P223 V225 M263 V290Y109-L113 HydrophobicContact CD2-CD1 3.71Å; Y109-L113 HydrophobicContact CD2-CG 4.36Å; Y109-L113 HydrophobicContact CE2-CD1 4.27Å; Y109-L113 WeakPolarHBondContact O-CG 3.17Å; Y109-L113 PolarHBondContact O-N 3.1Å; I110-L113 PolarHBondContact O-N 2.86Å; L113-R117 WeakPolarHBondContact O-CB 3.37Å; L113-R117 PolarHBondContact O-N 3.46Å; L113-Y190 HydrophobicContact CB-CD1 3.94Å; L113-Y190 HydrophobicContact CD1-CD1 3.92Å; L113-Y190 HydrophobicContact CD1-CG 4.1Å; L113-P223 HydrophobicContact CD2-CB 4.47Å; L113-V225 HydrophobicContact CD1-CG2 3.83Å; L113-M263 HydrophobicContact CD1-CE 3.65Å; L113-M263 HydrophobicContact CD1-SD 4.07Å; L113-M263 HydrophobicContact CD2-CE 3.66Å; L113-M263 HydrophobicContact CD2-SD 3.93Å; L113-M263 HydrophobicContact CG-CE 4.27Å; L113-M263 HydrophobicContact CG-SD 4.4Å; L113-V290 HydrophobicContact CD2-CG1 3.94Å; L113-V290 HydrophobicContact CD2-CG2 4.04Å
114I98.6Very high97.9Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-60.8-52.9173.4-67.2168000109.9I110 V112 K116 R117 E118 M128 N146 P189 Y190I110-I114 HydrophobicContact CG2-CD1 3.81Å; I110-I114 VanDerWaalsContact O-CG1 3.28Å; I110-I114 WeakPolarHBondContact O-CG1 3.44Å; I110-I114 PolarHBondContact O-N 3.06Å; I110-I114 VanDerWaalsContact O-N 3.1Å; V112-I114 VanDerWaalsContact C-N 3.34Å; V112-I114 PolarHBondContact O-N 3.15Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.31Å; I114-R117 PolarHBondContact O-N 2.88Å; I114-R117 VanDerWaalsContact O-N 3.14Å; I114-E118 WeakPolarHBondContact O-CG 3.38Å; I114-E118 PolarHBondContact O-N 2.93Å; I114-M128 HydrophobicContact CB-SD 4.28Å; I114-M128 HydrophobicContact CD1-CE 4.02Å; I114-M128 HydrophobicContact CD1-SD 3.99Å; I114-M128 HydrophobicContact CG1-CE 4.4Å; I114-M128 HydrophobicContact CG1-SD 3.72Å; I114-M128 HydrophobicContact CG2-CE 4.12Å; I114-M128 HydrophobicContact CG2-SD 3.66Å; I114-N146 HydrophobicContact CD1-CB 3.55Å; I114-P189 HydrophobicContact CG1-CB 3.97Å; I114-P189 HydrophobicContact CG1-CG 4.2Å; I114-Y190 HydrophobicContact CG1-CE1 4.45Å
115K98.2Very high97.9Very high82 Ų8239.5 Ų39.536%0.35720%0.197SC..Hα-helixtrans-58.1-43.8179.4-179.8-175.2171.1-165.70112.1P111 V112 R117 E118 Q119 E293P111-K115 VanDerWaalsContact O-CB 3.32Å; P111-K115 WeakPolarHBondContact O-CB 3.18Å; P111-K115 PolarHBondContact O-N 2.83Å; V112-K115 PolarHBondContact O-N 3.38Å; K115-R117 PolarHBondContact O-N 3.35Å; K115-E118 WeakPolarHBondContact O-CB 3.35Å; K115-E118 PolarHBondContact O-N 2.72Å; K115-Q119 VanDerWaalsContact O-CG 3.32Å; K115-Q119 WeakPolarHBondContact O-CG 3.14Å; K115-Q119 PolarHBondContact O-N 3.23Å; K115-E293 IonicContact NZ-OE2 3.33Å; K115-E293 PolarHBondContact NZ-OE2 3.01Å
116K97.8Very high97.8Very high29 Ų2943.5 Ų43.513%0.12623%0.225CC..Hα-helixtrans-58.4-47.3175.9178.5175.6174.471.70111.1V112 I114 E118 Q119 E120 D289 V290V112-K116 WeakPolarHBondContact O-CB 3.33Å; V112-K116 PolarHBondContact O-N 3.09Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.31Å; K116-E118 VanDerWaalsContact C-N 3.35Å; K116-E118 PolarHBondContact O-N 3.16Å; K116-Q119 PolarHBondContact O-N 3.08Å; K116-E120 WeakPolarHBondContact CE-OE2 3.18Å; K116-E120 HydrophobicContact CG-CG 4.36Å; K116-E120 VanDerWaalsContact NZ-CD 3.29Å; K116-E120 IonicContact NZ-OE1 2.64Å; K116-E120 PolarHBondContact NZ-OE1 2.99Å; K116-E120 IonicContact NZ-OE2 3.7Å; K116-E120 PolarHBondContact NZ-OE2 2.89Å; K116-E120 WeakPolarHBondContact O-CB 3.3Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 2.99Å; K116-D289 IonicContact NZ-OD1 2.75Å; K116-D289 IonicContact NZ-OD2 3.64Å; K116-D289 PolarHBondContact NZ-OD2 3.18Å; K116-V290 HydrophobicContact CD-CG2 3.44Å; K116-V290 VanDerWaalsContact CD-CG2 3.44Å
117R98.1Very high97.7Very high9 Ų948.9 Ų48.93%0.03425%0.248CC..Hα-helixtrans-65.6-36.6179.8-158.473.7170166.8-4112.5L113 I114 K115 K121 G122 L123 P185 N186 V188 P189 Y220 D221L113-R117 WeakPolarHBondContact O-CB 3.37Å; L113-R117 PolarHBondContact O-N 3.46Å; I114-R117 PolarHBondContact O-N 2.88Å; I114-R117 VanDerWaalsContact O-N 3.14Å; K115-R117 PolarHBondContact O-N 3.35Å; R117-K121 HydrophobicContact CG-CB 4.29Å; R117-K121 HydrophobicContact CG-CG 4.33Å; R117-K121 VanDerWaalsContact NH1-CE 3.33Å; R117-K121 WeakPolarHBondContact O-CA 3.25Å; R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 3.35Å; R117-G122 PolarHBondContact O-N 3.48Å; R117-L123 HydrophobicContact CB-CB 4.15Å; R117-L123 HydrophobicContact CB-CD1 3.88Å; R117-L123 HydrophobicContact CG-CB 3.97Å; R117-L123 HydrophobicContact CG-CD1 3.64Å; R117-L123 HydrophobicContact CG-CG 4.44Å; R117-L123 PolarHBondContact O-N 2.82Å; R117-P185 PolarHBondContact NH2-O 2.82Å; R117-N186 WeakPolarHBondContact CG-O 3.25Å; R117-V188 PolarHBondContact NE-O 2.72Å; R117-P189 HydrophobicContact CB-CB 4.38Å; R117-Y220 PolarHBondContact NH2-O 3.04Å; R117-D221 PolarHBondContact NH1-O 3.32Å; R117-D221 PolarHBondContact NH2-O 3.23Å
118E98.1Very high97.8Very high59 Ų5946.2 Ų46.228%0.27624%0.236SC..Hα-helixtrans-58.8-47.5171.8-69.5179.4123.300111.5I114 K115 K116 G122 L123 R125I114-E118 WeakPolarHBondContact O-CG 3.38Å; I114-E118 PolarHBondContact O-N 2.93Å; K115-E118 WeakPolarHBondContact O-CB 3.35Å; K115-E118 PolarHBondContact O-N 2.72Å; K116-E118 VanDerWaalsContact C-N 3.35Å; K116-E118 PolarHBondContact O-N 3.16Å; E118-G122 VanDerWaalsContact O-CA 3.3Å; E118-G122 WeakPolarHBondContact O-CA 3.47Å; E118-G122 PolarHBondContact O-N 3.36Å; E118-G122 VanDerWaalsContact O-N 3.13Å; E118-L123 HydrophobicContact CG-CB 4.06Å; E118-L123 HydrophobicContact CG-CD2 3.81Å; E118-R125 WeakPolarHBondContact OE1-CD 3.3Å; E118-R125 VanDerWaalsContact OE1-CG 3.24Å; E118-R125 WeakPolarHBondContact OE1-CG 3.37Å; E118-R125 IonicContact OE1-CZ 2.81Å; E118-R125 IonicContact OE1-NE 3.22Å; E118-R125 PolarHBondContact OE1-NE 3.4Å; E118-R125 IonicContact OE1-NH2 3.82Å; E118-R125 PolarHBondContact OE1-NH2 2.74Å; E118-R125 IonicContact OE2-CZ 2.86Å; E118-R125 IonicContact OE2-NE 3.96Å; E118-R125 IonicContact OE2-NH2 3.44Å; E118-R125 PolarHBondContact OE2-NH2 3.04Å
119Q97.8Very high97.8Very high141 Ų14146.5 Ų46.566%0.65924%0.238SC*.Hα-helixtrans-69.3-42.2-177.7-70.2174.1-24.500112.8K115 K116K115-Q119 VanDerWaalsContact O-CG 3.32Å; K115-Q119 WeakPolarHBondContact O-CG 3.14Å; K115-Q119 PolarHBondContact O-N 3.23Å; K116-Q119 PolarHBondContact O-N 3.08Å
120E97.6Very high97.8Very high102 Ų10246.4 Ų46.448%0.47724%0.237SC..Hα-helixtrans-91.7-30-171.5-67.1-177.7167.100113.9K116K116-E120 WeakPolarHBondContact CE-OE2 3.18Å; K116-E120 HydrophobicContact CG-CG 4.36Å; K116-E120 VanDerWaalsContact NZ-CD 3.29Å; K116-E120 IonicContact NZ-OE1 2.64Å; K116-E120 PolarHBondContact NZ-OE1 2.99Å; K116-E120 IonicContact NZ-OE2 3.7Å; K116-E120 PolarHBondContact NZ-OE2 2.89Å; K116-E120 WeakPolarHBondContact O-CB 3.3Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 2.99Å
121K97.7Very high97.8Very high64 Ų6446.4 Ų46.428%0.27824%0.238SC..Hα-helixtrans-122.7-2.9-172.1-53.1-61.9-177.8-177.50113.8R117 L123 N186 D221R117-K121 HydrophobicContact CG-CB 4.29Å; R117-K121 HydrophobicContact CG-CG 4.33Å; R117-K121 VanDerWaalsContact NH1-CE 3.33Å; R117-K121 WeakPolarHBondContact O-CA 3.25Å; R117-K121 WeakPolarHBondContact O-CB 3.3Å; R117-K121 PolarHBondContact O-N 3.35Å; K121-L123 VanDerWaalsContact C-N 3.34Å; K121-N186 HydrophobicContact CB-CB 3.93Å; K121-N186 WeakPolarHBondContact O-CB 3.46Å; K121-N186 PolarHBondContact O-ND2 2.79Å; K121-D221 WeakPolarHBondContact CE-OD2 3.21Å; K121-D221 IonicContact NZ-OD2 3.57Å; K121-D221 PolarHBondContact NZ-OD2 3.34Å
122G97.9Very high97.8Very high57 Ų5745 Ų4559%0.58823%0.228SC*.  trans6538.1-176.600000112.4R117 E118 D124R117-G122 PolarHBondContact O-N 3.48Å; E118-G122 VanDerWaalsContact O-CA 3.3Å; E118-G122 WeakPolarHBondContact O-CA 3.47Å; E118-G122 PolarHBondContact O-N 3.36Å; E118-G122 VanDerWaalsContact O-N 3.13Å; G122-D124 PolarHBondContact O-N 2.82Å
123L98.6Very high97.8Very high10 Ų1044.6 Ų44.65%0.05223%0.226CC..  trans-49.8126.2176.6178.1144.2000110.8R117 E118 K121 R125 M128 N186 P189R117-L123 HydrophobicContact CB-CB 4.15Å; R117-L123 HydrophobicContact CB-CD1 3.88Å; R117-L123 HydrophobicContact CG-CB 3.97Å; R117-L123 HydrophobicContact CG-CD1 3.64Å; R117-L123 HydrophobicContact CG-CG 4.44Å; R117-L123 PolarHBondContact O-N 2.82Å; E118-L123 HydrophobicContact CG-CB 4.06Å; E118-L123 HydrophobicContact CG-CD2 3.81Å; K121-L123 VanDerWaalsContact C-N 3.34Å; L123-R125 HydrophobicContact CD2-CG 4.13Å; L123-M128 HydrophobicContact CD1-CG 4.03Å; L123-M128 HydrophobicContact CD1-SD 3.99Å; L123-M128 HydrophobicContact CD2-CB 4.12Å; L123-M128 HydrophobicContact CD2-CG 4.15Å; L123-M128 HydrophobicContact CD2-SD 3.65Å; L123-M128 HydrophobicContact CG-SD 4.47Å; L123-N186 WeakPolarHBondContact CB-O 3.36Å; L123-P189 HydrophobicContact CD1-CB 4.03Å; L123-P189 HydrophobicContact CD1-CG 4.4Å
124D97.7Very high97.8Very high57 Ų5745.1 Ų45.131%0.30523%0.228SC..  trans-91108.9173.4176.8-7.9000109G122 S126 K127 M128 N187G122-D124 PolarHBondContact O-N 2.82Å; D124-S126 PolarHBondContact O-N 2.85Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 2.82Å; D124-S126 PolarHBondContact OD1-OG 3.33Å; D124-S126 PolarHBondContact OD2-OG 3.02Å; D124-K127 HydrophobicContact CB-CB 4.37Å; D124-K127 HydrophobicContact CB-CD 4.25Å; D124-K127 HydrophobicContact CB-CG 4.42Å; D124-K127 CarbonylContact O-C 3.55Å; D124-K127 WeakPolarHBondContact O-CA 3.33Å; D124-K127 PolarHBondContact O-N 3.34Å; D124-K127 WeakPolarHBondContact OD2-CD 3.49Å; D124-K127 WeakPolarHBondContact OD2-CE 3.46Å; D124-K127 IonicContact OD2-NZ 2.67Å; D124-K127 PolarHBondContact OD2-NZ 2.9Å; D124-M128 PolarHBondContact O-N 3.46Å; D124-M128 VanDerWaalsContact O-N 3.15Å; D124-N187 PolarHBondContact N-OD1 3.09Å
125R95.8Very high97.7Very high111 Ų11145.2 Ų45.242%0.41923%0.228SC..G310 helixtrans-54.7-28.2-179.2-73-166.2-178.6-117.2-7.3113.5E118 L123 K127 M128E118-R125 WeakPolarHBondContact OE1-CD 3.3Å; E118-R125 VanDerWaalsContact OE1-CG 3.24Å; E118-R125 WeakPolarHBondContact OE1-CG 3.37Å; E118-R125 IonicContact OE1-CZ 2.81Å; E118-R125 IonicContact OE1-NE 3.22Å; E118-R125 PolarHBondContact OE1-NE 3.4Å; E118-R125 IonicContact OE1-NH2 3.82Å; E118-R125 PolarHBondContact OE1-NH2 2.74Å; E118-R125 IonicContact OE2-CZ 2.86Å; E118-R125 IonicContact OE2-NE 3.96Å; E118-R125 IonicContact OE2-NH2 3.44Å; E118-R125 PolarHBondContact OE2-NH2 3.04Å; L123-R125 HydrophobicContact CD2-CG 4.13Å; R125-K127 PolarHBondContact O-N 3.22Å; R125-M128 HydrophobicContact CG-CE 4.45Å; R125-M128 PolarHBondContact O-N 2.99Å
126S95Very high97.5Very high84 Ų8443 Ų4359%0.58722%0.219SC*.G310 helixtrans-69.1-22.4178740000112.9D124D124-S126 PolarHBondContact O-N 2.85Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 2.82Å; D124-S126 PolarHBondContact OD1-OG 3.33Å; D124-S126 PolarHBondContact OD2-OG 3.02Å
127K96.6Very high97.3Very high122 Ų12242.4 Ų42.453%0.5322%0.217SC..G310 helixtrans-109.52.3-178.9-60.4175.9-171.7160.70113.4D124 R125 V129 N187D124-K127 HydrophobicContact CB-CB 4.37Å; D124-K127 HydrophobicContact CB-CD 4.25Å; D124-K127 HydrophobicContact CB-CG 4.42Å; D124-K127 CarbonylContact O-C 3.55Å; D124-K127 WeakPolarHBondContact O-CA 3.33Å; D124-K127 PolarHBondContact O-N 3.34Å; D124-K127 WeakPolarHBondContact OD2-CD 3.49Å; D124-K127 WeakPolarHBondContact OD2-CE 3.46Å; D124-K127 IonicContact OD2-NZ 2.67Å; D124-K127 PolarHBondContact OD2-NZ 2.9Å; R125-K127 PolarHBondContact O-N 3.22Å; K127-V129 PolarHBondContact O-N 2.87Å; K127-N187 HydrophobicContact CB-CB 4.21Å
128M97.8Very high97.1Very high0 Ų042.1 Ų42.10%022%0.216CC..  trans-64.3125.7-173-178164.65700112.6I114 L123 D124 R125 N146 C148 T149 N187 P189I114-M128 HydrophobicContact CB-SD 4.28Å; I114-M128 HydrophobicContact CD1-CE 4.02Å; I114-M128 HydrophobicContact CD1-SD 3.99Å; I114-M128 HydrophobicContact CG1-CE 4.4Å; I114-M128 HydrophobicContact CG1-SD 3.72Å; I114-M128 HydrophobicContact CG2-CE 4.12Å; I114-M128 HydrophobicContact CG2-SD 3.66Å; L123-M128 HydrophobicContact CD1-CG 4.03Å; L123-M128 HydrophobicContact CD1-SD 3.99Å; L123-M128 HydrophobicContact CD2-CB 4.12Å; L123-M128 HydrophobicContact CD2-CG 4.15Å; L123-M128 HydrophobicContact CD2-SD 3.65Å; L123-M128 HydrophobicContact CG-SD 4.47Å; D124-M128 PolarHBondContact O-N 3.46Å; D124-M128 VanDerWaalsContact O-N 3.15Å; R125-M128 HydrophobicContact CG-CE 4.45Å; R125-M128 PolarHBondContact O-N 2.99Å; M128-N146 WeakPolarHBondContact CE-O 3.26Å; M128-C148 HydrophobicContact CE-CB 4.38Å; M128-C148 WeakPolarHBondContact CE-SG 3.41Å; M128-C148 HydrophobicContact CG-CB 4.43Å; M128-T149 PolarHBondContact O-N 3.17Å; M128-N187 WeakPolarHBondContact CA-O 3.25Å; M128-P189 HydrophobicContact CG-CG 3.98Å; M128-P189 HydrophobicContact SD-CB 4.5Å; M128-P189 HydrophobicContact SD-CG 4.01Å
129V98.3Very high97.1Very high6 Ų639.5 Ų39.54%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-131.8129.7176.7-175.10000111.3K127 F131 T149 R151 V183 N187 V188 P189K127-V129 PolarHBondContact O-N 2.87Å; V129-F131 HydrophobicContact CB-CE2 4.3Å; V129-F131 HydrophobicContact CB-CZ 4.45Å; V129-F131 HydrophobicContact CG1-CD2 4.38Å; V129-F131 HydrophobicContact CG1-CE1 4.16Å; V129-F131 HydrophobicContact CG1-CE2 3.91Å; V129-F131 HydrophobicContact CG1-CZ 3.79Å; V129-T149 CarbonylContact C-O 3.26Å; V129-T149 WeakPolarHBondContact CA-O 3.47Å; V129-T149 WeakPolarHBondContact CG1-O 3.45Å; V129-R151 HydrophobicContact CG1-CB 4Å; V129-R151 HydrophobicContact CG1-CG 3.59Å; V129-V183 HydrophobicContact CB-CG1 3.9Å; V129-V183 HydrophobicContact CB-CG2 3.91Å; V129-V183 HydrophobicContact CG1-CG2 4.33Å; V129-V183 HydrophobicContact CG2-CB 4.31Å; V129-V183 HydrophobicContact CG2-CG1 3.76Å; V129-V183 HydrophobicContact CG2-CG2 3.52Å; V129-N187 PolarHBondContact N-O 3.44Å; V129-V188 WeakPolarHBondContact O-CA 3.26Å; V129-P189 VanDerWaalsContact O-CD 3.3Å; V129-P189 WeakPolarHBondContact O-CD 3.33Å
130A98.5Very high96.9Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-104140.7168.700000110.2F135 C148 T149 R151 Y190A130-F135 HydrophobicContact CB-CZ 3.82Å; A130-F135 WeakPolarHBondContact O-CE2 3.36Å; A130-C148 HydrophobicContact CB-CB 4.49Å; A130-T149 PolarHBondContact N-O 3.25Å; A130-R151 PolarHBondContact O-N 3.12Å; A130-Y190 HydrophobicContact CB-CD2 4.22Å; A130-Y190 HydrophobicContact CB-CE2 3.7Å
131F98.7Very high96.8Very high1 Ų128.6 Ų28.60%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-111.6149.1-178.4-66.2-84.4000112.1V129 F135 R151 V153 L176 G179 I180 V183 V188 I191 V192V129-F131 HydrophobicContact CB-CE2 4.3Å; V129-F131 HydrophobicContact CB-CZ 4.45Å; V129-F131 HydrophobicContact CG1-CD2 4.38Å; V129-F131 HydrophobicContact CG1-CE1 4.16Å; V129-F131 HydrophobicContact CG1-CE2 3.91Å; V129-F131 HydrophobicContact CG1-CZ 3.79Å; F131-F135 WeakPolarHBondContact O-CZ 3.48Å; F131-R151 WeakPolarHBondContact CA-O 3.44Å; F131-R151 HydrophobicContact CD1-CB 3.67Å; F131-R151 HydrophobicContact CE1-CB 3.72Å; F131-R151 HydrophobicContact CE1-CG 4.27Å; F131-V153 HydrophobicContact CD1-CG2 3.6Å; F131-V153 HydrophobicContact CE1-CG2 4.21Å; F131-L176 HydrophobicContact CB-CD1 3.79Å; F131-L176 HydrophobicContact CD1-CD1 4.3Å; F131-L176 HydrophobicContact CG-CD1 3.98Å; F131-G179 VanDerWaalsContact CZ-C 3.46Å; F131-G179 WeakPolarHBondContact CZ-O 3.34Å; F131-I180 HydrophobicContact CD2-CG1 4.23Å; F131-I180 HydrophobicContact CE2-CG1 4.04Å; F131-V183 HydrophobicContact CZ-CG2 4.05Å; F131-V188 HydrophobicContact CD2-CG1 3.81Å; F131-V188 HydrophobicContact CD2-CG2 4.26Å; F131-V188 HydrophobicContact CE2-CG1 4.17Å; F131-V188 HydrophobicContact CE2-CG2 3.75Å; F131-I191 HydrophobicContact CB-CG1 4.29Å; F131-I191 CarbonylContact O-C 3.31Å; F131-I191 WeakPolarHBondContact O-CA 3.2Å; F131-V192 PolarHBondContact O-N 3.15Å
132S98.7Very high96.7Very high0 Ų027.2 Ų27.20%015%0.148CC..EExtended strand (participates in β ladder)trans-150.8155.2170.8-176.50000111.1Y134 F135 R151 N152 V153 F171 V192 T194S132-Y134 PolarHBondContact O-N 3.42Å; S132-Y134 PolarHBondContact OG-N 3.31Å; S132-Y134 PolarHBondContact OG-O 2.8Å; S132-F135 VanDerWaalsContact CB-CE2 3.47Å; S132-F135 PolarHBondContact OG-N 3.08Å; S132-R151 PolarHBondContact N-O 3.05Å; S132-R151 VanDerWaalsContact N-O 3.13Å; S132-N152 CarbonylContact O-C 3.58Å; S132-N152 WeakPolarHBondContact O-CA 3.5Å; S132-V153 PolarHBondContact O-N 3.23Å; S132-F171 VanDerWaalsContact C-CE1 3.45Å; S132-V192 WeakPolarHBondContact CA-O 3.44Å; S132-V192 WeakPolarHBondContact CB-O 3.48Å; S132-V192 PolarHBondContact OG-O 3.14Å; S132-T194 PolarHBondContact OG-OG1 3.17Å
133N98.5Very high96.6Very high1 Ų124.5 Ų24.51%0.00512%0.12CC..SBendtrans-60-37.5166.856.2-29.7000110.3V153 Y154 G169 F171 T194 V205N133-V153 WeakPolarHBondContact CA-O 3.33Å; N133-Y154 WeakPolarHBondContact O-CB 3.29Å; N133-G169 WeakPolarHBondContact CB-O 3.16Å; N133-G169 PolarHBondContact ND2-O 2.87Å; N133-F171 HydrophobicContact CB-CD1 3.92Å; N133-F171 HydrophobicContact CB-CD2 3.66Å; N133-F171 HydrophobicContact CB-CE1 3.94Å; N133-F171 HydrophobicContact CB-CE2 3.62Å; N133-F171 HydrophobicContact CB-CG 3.8Å; N133-F171 HydrophobicContact CB-CZ 3.78Å; N133-F171 VanDerWaalsContact N-CZ 3.26Å; N133-T194 PolarHBondContact ND2-O 3.29Å; N133-T194 PolarHBondContact OD1-N 2.86Å; N133-V205 WeakPolarHBondContact ND2-CG2 3.42Å
134Y97.3Very high96.4Very high13 Ų1325.9 Ų25.95%0.05113%0.127CC..SBendtrans-168.2128.9154.3-150.5-74.9000108.9S132 N152 Y154 F159 T194 S197 P414S132-Y134 PolarHBondContact O-N 3.42Å; S132-Y134 PolarHBondContact OG-N 3.31Å; S132-Y134 PolarHBondContact OG-O 2.8Å; Y134-N152 WeakPolarHBondContact CA-OD1 3.3Å; Y134-N152 HydrophobicContact CD2-CB 3.95Å; Y134-N152 HydrophobicContact CE2-CB 4.24Å; Y134-N152 HydrophobicContact CG-CB 4.29Å; Y134-Y154 AromaticContact CD2-CD1 3.73Å; Y134-Y154 HydrophobicContact CD2-CD1 3.73Å; Y134-Y154 AromaticContact CD2-CE1 3.96Å; Y134-Y154 HydrophobicContact CD2-CE1 3.96Å; Y134-Y154 HydrophobicContact CE2-CD1 4.17Å; Y134-Y154 AromaticContact CE2-CE1 3.91Å; Y134-Y154 HydrophobicContact CE2-CE1 3.91Å; Y134-F159 AromaticContact CD2-CE2 3.71Å; Y134-F159 HydrophobicContact CD2-CE2 3.71Å; Y134-F159 AromaticContact CD2-CZ 3.53Å; Y134-F159 HydrophobicContact CD2-CZ 3.53Å; Y134-F159 HydrophobicContact CE2-CE1 4.3Å; Y134-F159 AromaticContact CE2-CE2 3.52Å; Y134-F159 HydrophobicContact CE2-CE2 3.52Å; Y134-F159 AromaticContact CE2-CZ 3.19Å; Y134-F159 HydrophobicContact CE2-CZ 3.19Å; Y134-F159 AromaticContact CZ-CZ 3.97Å; Y134-T194 WeakPolarHBondContact O-CB 3.37Å; Y134-T194 PolarHBondContact O-OG1 3.15Å; Y134-S197 WeakPolarHBondContact CB-OG 3.27Å; Y134-P414 HydrophobicContact CE2-CG 4.38Å
135F96.8Very high96.2Very high2 Ų228.6 Ų28.61%0.00914%0.14CC..  trans-66.7137.4179.9-77.2-78.4000112.3A130 F131 S132 T139 Q140 V150 N152 V192 S199A130-F135 HydrophobicContact CB-CZ 3.82Å; A130-F135 WeakPolarHBondContact O-CE2 3.36Å; F131-F135 WeakPolarHBondContact O-CZ 3.48Å; S132-F135 VanDerWaalsContact CB-CE2 3.47Å; S132-F135 PolarHBondContact OG-N 3.08Å; F135-T139 HydrophobicContact CD1-CG2 3.8Å; F135-T139 HydrophobicContact CE1-CG2 4.13Å; F135-Q140 HydrophobicContact CB-CB 3.99Å; F135-Q140 HydrophobicContact CB-CG 4.4Å; F135-V150 HydrophobicContact CD2-CB 3.95Å; F135-V150 HydrophobicContact CD2-CG1 4.43Å; F135-V150 HydrophobicContact CE2-CB 3.9Å; F135-V150 HydrophobicContact CE2-CG1 4.28Å; F135-N152 VanDerWaalsContact CD2-OD1 3.3Å; F135-N152 WeakPolarHBondContact CD2-OD1 3.3Å; F135-N152 PolarHBondContact N-OD1 3.05Å; F135-V192 HydrophobicContact CD1-CB 4.37Å; F135-V192 HydrophobicContact CD1-CG2 4.37Å; F135-V192 HydrophobicContact CE1-CB 3.9Å; F135-V192 HydrophobicContact CE1-CG2 3.64Å; F135-V192 HydrophobicContact CZ-CG2 4.45Å; F135-S199 PolarHBondContact O-OG 2.77Å
136F95.2Very high96.2Very high36 Ų3625.4 Ų25.416%0.15813%0.131CC..  trans-68.7151159.1-172.1-113.8000110.2T138 T139 Q140 N198F136-T138 VanDerWaalsContact CD1-OG1 3.25Å; F136-T138 WeakPolarHBondContact CD1-OG1 3.29Å; F136-T138 HydrophobicContact CE1-CG2 4.21Å; F136-T138 VanDerWaalsContact CE1-OG1 3.31Å; F136-T138 WeakPolarHBondContact CE1-OG1 3.25Å; F136-T138 PolarHBondContact O-N 3.02Å; F136-T139 PolarHBondContact O-N 3.28Å; F136-Q140 WeakPolarHBondContact O-CB 3.47Å; F136-Q140 PolarHBondContact O-N 3.39Å; F136-N198 HydrophobicContact CD2-CB 4.14Å
137D92.8Very high96.1Very high15 Ų1523 Ų238%0.0812%0.12CC..Hα-helixtrans-59.3-44.1-170.353.510000113.4Q140 G141 L400 L461 H463D137-Q140 WeakPolarHBondContact O-CB 3.32Å; D137-Q140 PolarHBondContact O-N 3Å; D137-G141 PolarHBondContact O-N 3.4Å; D137-L400 HydrophobicContact CB-CD1 4.45Å; D137-L400 HydrophobicContact CB-CD2 4.04Å; D137-L400 HydrophobicContact CB-CG 4.37Å; D137-L461 HydrophobicContact CB-CD2 4.24Å; D137-L461 WeakPolarHBondContact O-CD2 3.44Å; D137-H463 IonicContact OD2-CE1 3.72Å; D137-H463 IonicContact OD2-NE2 2.66Å; D137-H463 PolarHBondContact OD2-NE2 3.15Å
138T94.4Very high96Very high4 Ų417.4 Ų17.43%0.02510%0.096CC..Hα-helixtrans-70.9-40.8178.957.20000111.8E106 F136 Q140 G141 H142E106-T138 VanDerWaalsContact CD-OG1 3.27Å; E106-T138 PolarHBondContact OE1-OG1 3.09Å; E106-T138 WeakPolarHBondContact OE2-CB 3.41Å; E106-T138 PolarHBondContact OE2-OG1 3.45Å; F136-T138 VanDerWaalsContact CD1-OG1 3.25Å; F136-T138 WeakPolarHBondContact CD1-OG1 3.29Å; F136-T138 HydrophobicContact CE1-CG2 4.21Å; F136-T138 VanDerWaalsContact CE1-OG1 3.31Å; F136-T138 WeakPolarHBondContact CE1-OG1 3.25Å; F136-T138 PolarHBondContact O-N 3.02Å; T138-Q140 VanDerWaalsContact C-N 3.29Å; T138-Q140 PolarHBondContact O-N 3.26Å; T138-G141 PolarHBondContact O-N 3.11Å; T138-G141 VanDerWaalsContact O-N 3.15Å; T138-H142 PolarHBondContact O-N 2.93Å; T138-H142 PolarHBondContact O-ND1 3.04Å
139T96.6Very high95.9Very high3 Ų319.3 Ų19.32%0.01811%0.108CC..Hα-helixtrans-60.3-42.3173.7-52.30000110.8E106 F135 F136 S143 V192E106-T139 PolarHBondContact OE1-OG1 3.02Å; E106-T139 PolarHBondContact OE2-N 3.37Å; F135-T139 HydrophobicContact CD1-CG2 3.8Å; F135-T139 HydrophobicContact CE1-CG2 4.13Å; F136-T139 PolarHBondContact O-N 3.28Å; T139-S143 VanDerWaalsContact O-CB 3.31Å; T139-S143 WeakPolarHBondContact O-CB 3.32Å; T139-S143 PolarHBondContact O-N 3.36Å; T139-S143 PolarHBondContact O-OG 3.49Å; T139-V192 HydrophobicContact CG2-CG2 4.14Å
140Q95.5Very high95.8Very high12 Ų1220.2 Ų20.26%0.05611%0.113CC..Hα-helixtrans-58.9-50.6173.4-164.3-174-78.800110.7F135 F136 D137 T138 S143 Q144 V150 L401F135-Q140 HydrophobicContact CB-CB 3.99Å; F135-Q140 HydrophobicContact CB-CG 4.4Å; F136-Q140 WeakPolarHBondContact O-CB 3.47Å; F136-Q140 PolarHBondContact O-N 3.39Å; D137-Q140 WeakPolarHBondContact O-CB 3.32Å; D137-Q140 PolarHBondContact O-N 3Å; T138-Q140 VanDerWaalsContact C-N 3.29Å; T138-Q140 PolarHBondContact O-N 3.26Å; Q140-S143 WeakPolarHBondContact O-CB 3.43Å; Q140-S143 PolarHBondContact O-N 3.29Å; Q140-Q144 HydrophobicContact CG-CG 4.47Å; Q140-Q144 WeakPolarHBondContact O-CB 3.44Å; Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å; Q140-V150 HydrophobicContact CG-CB 4.2Å; Q140-V150 HydrophobicContact CG-CG1 4.07Å; Q140-V150 HydrophobicContact CG-CG2 3.63Å; Q140-L401 PolarHBondContact NE2-O 2.91Å
141G94.1Very high95.7Very high3 Ų323.9 Ų23.93%0.03113%0.127CC..Hα-helixtrans-59-48.7-179.600000113D137 T138 S143 Q144 I145D137-G141 PolarHBondContact O-N 3.4Å; T138-G141 PolarHBondContact O-N 3.11Å; T138-G141 VanDerWaalsContact O-N 3.15Å; G141-S143 VanDerWaalsContact C-N 3.35Å; G141-S143 PolarHBondContact O-N 3.12Å; G141-Q144 PolarHBondContact O-N 3.28Å; G141-I145 WeakPolarHBondContact O-CB 3.41Å; G141-I145 VanDerWaalsContact O-CG1 3.28Å; G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 2.71Å
142H95.9Very high95.6Very high34 Ų3425.8 Ų25.816%0.15714%0.137CC..Hα-helixtrans-65.4-37.8177.9-71.397.5000112.2E106 I110 T138 N146E106-H142 HydrophobicContact CB-CB 4.15Å; E106-H142 IonicContact OE2-CE1 3.49Å; E106-H142 PolarHBondContact OE2-CE1 3.43Å; E106-H142 IonicContact OE2-CG 3.11Å; E106-H142 IonicContact OE2-ND1 3.55Å; E106-H142 PolarHBondContact OE2-ND1 3.2Å; I110-H142 HydrophobicContact CD1-CB 3.47Å; I110-H142 VanDerWaalsContact CD1-CB 3.47Å; T138-H142 PolarHBondContact O-N 2.93Å; T138-H142 PolarHBondContact O-ND1 3.04Å; H142-N146 PolarHBondContact O-N 3.18Å; H142-N146 PolarHBondContact O-ND2 3.12Å
143S96.3Very high95.6Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-61.4-48.5174.1-55.90000110.7T139 Q140 G141 N146 G147 C148 Y190T139-S143 VanDerWaalsContact O-CB 3.31Å; T139-S143 WeakPolarHBondContact O-CB 3.32Å; T139-S143 PolarHBondContact O-N 3.36Å; T139-S143 PolarHBondContact O-OG 3.49Å; Q140-S143 WeakPolarHBondContact O-CB 3.43Å; Q140-S143 PolarHBondContact O-N 3.29Å; G141-S143 VanDerWaalsContact C-N 3.35Å; G141-S143 PolarHBondContact O-N 3.12Å; S143-N146 CarbonylContact O-C 3.4Å; S143-N146 PolarHBondContact O-N 3.4Å; S143-G147 PolarHBondContact O-N 2.72Å; S143-C148 VanDerWaalsContact O-CB 3.25Å; S143-C148 WeakPolarHBondContact O-CB 3.36Å; S143-C148 PolarHBondContact O-N 3.37Å; S143-Y190 WeakPolarHBondContact CB-OH 3.4Å; S143-Y190 PolarHBondContact OG-OH 2.84Å
144Q94.5Very high95.6Very high40 Ų4030.1 Ų30.119%0.18716%0.156CC..Hα-helixtrans-67.9-39.1-178.3-73.8175.5-40.500113Q140 G141 N146 G147 V150 P405Q140-Q144 HydrophobicContact CG-CG 4.47Å; Q140-Q144 WeakPolarHBondContact O-CB 3.44Å; Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.46Å; Q140-Q144 PolarHBondContact O-N 2.96Å; G141-Q144 PolarHBondContact O-N 3.28Å; Q144-N146 PolarHBondContact O-N 2.81Å; Q144-G147 WeakPolarHBondContact O-CA 3.2Å; Q144-G147 PolarHBondContact O-N 2.77Å; Q144-V150 HydrophobicContact CG-CG1 3.95Å; Q144-V150 HydrophobicContact CG-CG2 4.18Å; Q144-P405 HydrophobicContact CB-CG 4.23Å; Q144-P405 HydrophobicContact CG-CG 4.3Å
145I93.3Very high95.6Very high114 Ų11430.7 Ų30.759%0.58516%0.16SC*.Hα-helixtrans-60.6-33.2174.2-73.6167000111G141 G147 V460G141-I145 WeakPolarHBondContact O-CB 3.41Å; G141-I145 VanDerWaalsContact O-CG1 3.28Å; G141-I145 WeakPolarHBondContact O-CG1 3.44Å; G141-I145 PolarHBondContact O-N 2.71Å; I145-G147 PolarHBondContact O-N 3.45Å; I145-V460 HydrophobicContact CD1-CG1 4.22Å
146N95.1Very high95.6Very high43 Ų4338.8 Ų38.823%0.2320%0.195CC..THydrogen-bonded Turntrans-836.3174.8-75.9-82.7000113.8I110 I114 M128 H142 S143 Q144I110-N146 HydrophobicContact CG2-CB 4.19Å; I114-N146 HydrophobicContact CD1-CB 3.55Å; M128-N146 WeakPolarHBondContact CE-O 3.26Å; H142-N146 PolarHBondContact O-N 3.18Å; H142-N146 PolarHBondContact O-ND2 3.12Å; S143-N146 CarbonylContact O-C 3.4Å; S143-N146 PolarHBondContact O-N 3.4Å; Q144-N146 PolarHBondContact O-N 2.81Å
147G93.5Very high95.7Very high34 Ų3438.7 Ų38.735%0.35120%0.195SC..THydrogen-bonded Turntrans91.52.3174.400000115.3S143 Q144 I145S143-G147 PolarHBondContact O-N 2.72Å; Q144-G147 WeakPolarHBondContact O-CA 3.2Å; Q144-G147 PolarHBondContact O-N 2.77Å; I145-G147 PolarHBondContact O-N 3.45Å
148C95.3Very high95.9Very high5 Ų538 Ų383%0.03419%0.191CC..PPolyproline II helixtrans-68.8133.5178.1-63.50000110.6M128 A130 S143M128-C148 HydrophobicContact CE-CB 4.38Å; M128-C148 WeakPolarHBondContact CE-SG 3.41Å; M128-C148 HydrophobicContact CG-CB 4.43Å; A130-C148 HydrophobicContact CB-CB 4.49Å; S143-C148 VanDerWaalsContact O-CB 3.25Å; S143-C148 WeakPolarHBondContact O-CB 3.36Å; S143-C148 PolarHBondContact O-N 3.37Å
149T95.4Very high96Very high40 Ų4039 Ų3925%0.24520%0.195CC..EExtended strand (participates in β ladder)trans-73.1130.3153.4-67.30000107.8M128 V129 A130 R151 K406M128-T149 PolarHBondContact O-N 3.17Å; V129-T149 CarbonylContact C-O 3.26Å; V129-T149 WeakPolarHBondContact CA-O 3.47Å; V129-T149 WeakPolarHBondContact CG1-O 3.45Å; A130-T149 PolarHBondContact N-O 3.25Å; T149-R151 HydrophobicContact CG2-CG 4.49Å; T149-K406 PolarHBondContact OG1-NZ 2.94Å
150V95.2Very high96Very high24 Ų2442.3 Ų42.315%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-98.4132.7177.8-65.40000109.3F135 Q140 Q144F135-V150 HydrophobicContact CD2-CB 3.95Å; F135-V150 HydrophobicContact CD2-CG1 4.43Å; F135-V150 HydrophobicContact CE2-CB 3.9Å; F135-V150 HydrophobicContact CE2-CG1 4.28Å; Q140-V150 HydrophobicContact CG-CB 4.2Å; Q140-V150 HydrophobicContact CG-CG1 4.07Å; Q140-V150 HydrophobicContact CG-CG2 3.63Å; Q144-V150 HydrophobicContact CG-CG1 3.95Å; Q144-V150 HydrophobicContact CG-CG2 4.18Å
151R96.8Very high96Very high78 Ų7842 Ų4229%0.29421%0.212SC..EExtended strand (participates in β ladder)trans-125.3118.7176.1-71.5-171.2-172.1-170.7-3.4110.2V129 A130 F131 S132 T149 E182V129-R151 HydrophobicContact CG1-CB 4Å; V129-R151 HydrophobicContact CG1-CG 3.59Å; A130-R151 PolarHBondContact O-N 3.12Å; F131-R151 WeakPolarHBondContact CA-O 3.44Å; F131-R151 HydrophobicContact CD1-CB 3.67Å; F131-R151 HydrophobicContact CE1-CB 3.72Å; F131-R151 HydrophobicContact CE1-CG 4.27Å; S132-R151 PolarHBondContact N-O 3.05Å; S132-R151 VanDerWaalsContact N-O 3.13Å; T149-R151 HydrophobicContact CG2-CG 4.49Å; R151-E182 IonicContact CZ-OE1 3.01Å; R151-E182 VanDerWaalsContact NH1-CD 3.25Å; R151-E182 IonicContact NH1-OE1 3.26Å; R151-E182 PolarHBondContact NH1-OE1 3.14Å; R151-E182 IonicContact NH1-OE2 3.72Å; R151-E182 PolarHBondContact NH1-OE2 3.39Å; R151-E182 IonicContact NH2-OE1 2.68Å; R151-E182 PolarHBondContact NH2-OE1 2.84Å
152N97.2Very high95.9Very high41 Ų4144.6 Ų44.622%0.21924%0.239CC..EExtended strand (participates in β ladder)trans-83.8131.8171.6-63.9-46.1000109.3S132 Y134 F135 Y154S132-N152 CarbonylContact O-C 3.58Å; S132-N152 WeakPolarHBondContact O-CA 3.5Å; Y134-N152 WeakPolarHBondContact CA-OD1 3.3Å; Y134-N152 HydrophobicContact CD2-CB 3.95Å; Y134-N152 HydrophobicContact CE2-CB 4.24Å; Y134-N152 HydrophobicContact CG-CB 4.29Å; F135-N152 VanDerWaalsContact CD2-OD1 3.3Å; F135-N152 WeakPolarHBondContact CD2-OD1 3.3Å; F135-N152 PolarHBondContact N-OD1 3.05Å; N152-Y154 HydrophobicContact CB-CD1 3.85Å; N152-Y154 HydrophobicContact CB-CE1 3.78Å
153V98.2Very high95.8Very high17 Ų1745.9 Ų45.910%0.10325%0.248CC..  trans-13190.2-176.4-175.70000109F131 S132 N133 F171 D172 L176F131-V153 HydrophobicContact CD1-CG2 3.6Å; F131-V153 HydrophobicContact CE1-CG2 4.21Å; S132-V153 PolarHBondContact O-N 3.23Å; N133-V153 WeakPolarHBondContact CA-O 3.33Å; V153-F171 WeakPolarHBondContact O-CA 3.27Å; V153-D172 HydrophobicContact CG1-CB 3.96Å; V153-D172 WeakPolarHBondContact CG1-O 3.35Å; V153-D172 PolarHBondContact O-N 2.87Å; V153-L176 HydrophobicContact CG1-CB 3.99Å
154Y97.7Very high95.7Very high75 Ų7551.6 Ų51.629%0.29427%0.27SS..BIsolated β-bridgetrans-121.4152.9-174.546.2-90.2000110.8N133 Y134 N152 A158 F159N133-Y154 WeakPolarHBondContact O-CB 3.29Å; Y134-Y154 AromaticContact CD2-CD1 3.73Å; Y134-Y154 HydrophobicContact CD2-CD1 3.73Å; Y134-Y154 AromaticContact CD2-CE1 3.96Å; Y134-Y154 HydrophobicContact CD2-CE1 3.96Å; Y134-Y154 HydrophobicContact CE2-CD1 4.17Å; Y134-Y154 AromaticContact CE2-CE1 3.91Å; Y134-Y154 HydrophobicContact CE2-CE1 3.91Å; N152-Y154 HydrophobicContact CB-CD1 3.85Å; N152-Y154 HydrophobicContact CB-CE1 3.78Å; Y154-A158 HydrophobicContact CD2-CB 3.98Å; Y154-A158 HydrophobicContact CG-CB 4.27Å; Y154-F159 HydrophobicContact CD1-CE2 4.07Å; Y154-F159 AromaticContact CD2-CD2 3.68Å; Y154-F159 HydrophobicContact CD2-CD2 3.68Å; Y154-F159 AromaticContact CD2-CE2 3.76Å; Y154-F159 HydrophobicContact CD2-CE2 3.76Å; Y154-F159 HydrophobicContact CE1-CE2 4.04Å; Y154-F159 AromaticContact CE2-CD2 3.49Å; Y154-F159 HydrophobicContact CE2-CD2 3.49Å; Y154-F159 VanDerWaalsContact CE2-CD2 3.49Å; Y154-F159 AromaticContact CE2-CE2 3.72Å; Y154-F159 HydrophobicContact CE2-CE2 3.72Å; Y154-F159 HydrophobicContact CG-CD2 4.33Å; Y154-F159 AromaticContact CG-CE2 3.93Å; Y154-F159 HydrophobicContact CG-CE2 3.93Å; Y154-F159 AromaticContact CZ-CD2 3.99Å; Y154-F159 AromaticContact CZ-CE2 3.86Å
155I98.2Very high95.9Very high25 Ų2554.7 Ų54.713%0.12828%0.281CS..  trans-64.6152.9170.761.7169.3000111.5E157 A158 Y165 N170 F171 D172I155-E157 HydrophobicContact CD1-CB 4.08Å; I155-E157 HydrophobicContact CG1-CB 4.42Å; I155-E157 PolarHBondContact O-N 2.99Å; I155-E157 VanDerWaalsContact O-N 3.16Å; I155-A158 HydrophobicContact CG1-CB 4.49Å; I155-A158 WeakPolarHBondContact O-CB 3.49Å; I155-A158 PolarHBondContact O-N 3.41Å; I155-Y165 HydrophobicContact CD1-CD1 3.93Å; I155-Y165 HydrophobicContact CD1-CE1 3.64Å; I155-N170 HydrophobicContact CD1-CB 4.07Å; I155-N170 HydrophobicContact CG1-CB 4.42Å; I155-N170 HydrophobicContact CG2-CB 4.23Å; I155-N170 PolarHBondContact N-O 3.25Å; I155-F171 WeakPolarHBondContact CG2-O 3.42Å; I155-D172 HydrophobicContact CG2-CB 4.39Å
156K96Very high96.1Very high171 Ų17153.8 Ų53.874%0.74328%0.277SS*.G310 helixtrans-56.2-34.2-178.564.9179.2-177.1-178.50113A158K156-A158 PolarHBondContact O-N 3.41Å
157E97.6Very high96.2Very high34 Ų3452.4 Ų52.416%0.15927%0.269CS..G310 helixtrans-66.7-18-178.5-65.178.3-173.800112.8I155 F159 D160 Y165 K168I155-E157 HydrophobicContact CD1-CB 4.08Å; I155-E157 HydrophobicContact CG1-CB 4.42Å; I155-E157 PolarHBondContact O-N 2.99Å; I155-E157 VanDerWaalsContact O-N 3.16Å; E157-F159 PolarHBondContact O-N 3.32Å; E157-D160 PolarHBondContact O-N 3.02Å; E157-Y165 HydrophobicContact CB-CD1 4.25Å; E157-Y165 HydrophobicContact CB-CG 4.15Å; E157-Y165 HydrophobicContact CG-CD1 4.37Å; E157-Y165 HydrophobicContact CG-CD2 4.08Å; E157-Y165 HydrophobicContact CG-CG 4Å; E157-K168 HydrophobicContact CB-CG 4.28Å; E157-K168 VanDerWaalsContact O-CD 3.26Å; E157-K168 WeakPolarHBondContact O-CD 3.43Å; E157-K168 WeakPolarHBondContact O-CE 3.48Å; E157-K168 PolarHBondContact O-NZ 3.38Å
158A97.7Very high96.5Very high1 Ų150.8 Ų50.81%0.00825%0.253CS..G310 helixtrans-56.7-35.4-177.600000113.1Y154 I155 K156 K168 A200 Q353Y154-A158 HydrophobicContact CD2-CB 3.98Å; Y154-A158 HydrophobicContact CG-CB 4.27Å; I155-A158 HydrophobicContact CG1-CB 4.49Å; I155-A158 WeakPolarHBondContact O-CB 3.49Å; I155-A158 PolarHBondContact O-N 3.41Å; K156-A158 PolarHBondContact O-N 3.41Å; A158-K168 WeakPolarHBondContact CA-O 3.24Å; A158-K168 VanDerWaalsContact CB-O 3.26Å; A158-K168 WeakPolarHBondContact CB-O 3.34Å; A158-A200 HydrophobicContact CB-CB 4.27Å; A158-Q353 PolarHBondContact O-NE2 3.39Å
159F96.5Very high96.6Very high25 Ų2550.7 Ų50.711%0.1125%0.252CS..THydrogen-bonded Turntrans-118.82.5-178.1-66.5-78.5000113.8Y134 Y154 E157 T161 S199 A200 P414 A415Y134-F159 AromaticContact CD2-CE2 3.71Å; Y134-F159 HydrophobicContact CD2-CE2 3.71Å; Y134-F159 AromaticContact CD2-CZ 3.53Å; Y134-F159 HydrophobicContact CD2-CZ 3.53Å; Y134-F159 HydrophobicContact CE2-CE1 4.3Å; Y134-F159 AromaticContact CE2-CE2 3.52Å; Y134-F159 HydrophobicContact CE2-CE2 3.52Å; Y134-F159 AromaticContact CE2-CZ 3.19Å; Y134-F159 HydrophobicContact CE2-CZ 3.19Å; Y134-F159 AromaticContact CZ-CZ 3.97Å; Y154-F159 HydrophobicContact CD1-CE2 4.07Å; Y154-F159 AromaticContact CD2-CD2 3.68Å; Y154-F159 HydrophobicContact CD2-CD2 3.68Å; Y154-F159 AromaticContact CD2-CE2 3.76Å; Y154-F159 HydrophobicContact CD2-CE2 3.76Å; Y154-F159 HydrophobicContact CE1-CE2 4.04Å; Y154-F159 AromaticContact CE2-CD2 3.49Å; Y154-F159 HydrophobicContact CE2-CD2 3.49Å; Y154-F159 VanDerWaalsContact CE2-CD2 3.49Å; Y154-F159 AromaticContact CE2-CE2 3.72Å; Y154-F159 HydrophobicContact CE2-CE2 3.72Å; Y154-F159 HydrophobicContact CG-CD2 4.33Å; Y154-F159 AromaticContact CG-CE2 3.93Å; Y154-F159 HydrophobicContact CG-CE2 3.93Å; Y154-F159 AromaticContact CZ-CD2 3.99Å; Y154-F159 AromaticContact CZ-CE2 3.86Å; E157-F159 PolarHBondContact O-N 3.32Å; F159-T161 PolarHBondContact O-N 3.01Å; F159-T161 VanDerWaalsContact O-N 3.09Å; F159-S199 WeakPolarHBondContact CE1-O 3.31Å; F159-A200 HydrophobicContact CE2-CB 4.48Å; F159-A200 HydrophobicContact CZ-CB 4.1Å; F159-P414 HydrophobicContact CB-CB 3.94Å; F159-P414 HydrophobicContact CB-CG 4.41Å; F159-P414 HydrophobicContact CD1-CB 4.05Å; F159-P414 HydrophobicContact CD1-CG 3.62Å; F159-P414 HydrophobicContact CD2-CB 3.72Å; F159-P414 HydrophobicContact CD2-CG 3.5Å; F159-P414 HydrophobicContact CE1-CG 3.65Å; F159-P414 HydrophobicContact CE2-CB 4.28Å; F159-P414 HydrophobicContact CE2-CG 3.55Å; F159-P414 HydrophobicContact CG-CB 3.61Å; F159-P414 HydrophobicContact CG-CG 3.54Å; F159-P414 HydrophobicContact CZ-CG 3.63Å; F159-A415 HydrophobicContact CB-CB 4.44Å; F159-A415 HydrophobicContact CD1-CB 3.88Å
160D96.4Very high96.8Very high73 Ų7349.4 Ų49.439%0.3924%0.244SC..  trans-79.491.1167.6-169.9-19000109.2E157 G162 V163 K168E157-D160 PolarHBondContact O-N 3.02Å; D160-G162 PolarHBondContact O-N 2.76Å; D160-G162 PolarHBondContact OD1-N 3.2Å; D160-V163 HydrophobicContact CB-CB 4.44Å; D160-V163 PolarHBondContact O-N 3.12Å; D160-V163 PolarHBondContact OD1-N 2.84Å; D160-V163 WeakPolarHBondContact OD2-CG2 3.28Å; D160-K168 PolarHBondContact O-NZ 2.93Å
161T95.8Very high96.9Very high5 Ų548.3 Ų48.33%0.03124%0.237CC..THydrogen-bonded Turntrans-65.6-15.4-179.854.70000113.2F159 Q353 D363 K366 L417F159-T161 PolarHBondContact O-N 3.01Å; F159-T161 VanDerWaalsContact O-N 3.09Å; T161-Q353 HydrophobicContact CG2-CB 4.26Å; T161-D363 HydrophobicContact CG2-CB 4.38Å; T161-D363 PolarHBondContact OG1-OD2 3.48Å; T161-K366 PolarHBondContact OG1-NZ 3.07Å; T161-L417 HydrophobicContact CG2-CD2 4.15Å
162G90.4Very high97Very high58 Ų5847.2 Ų47.260%0.59824%0.237SC*.THydrogen-bonded Turntrans-88.9-16.7-18000000115.1D160D160-G162 PolarHBondContact O-N 2.76Å; D160-G162 PolarHBondContact OD1-N 3.2Å
163V94.2Very high97.1Very high60 Ų6047.7 Ų47.736%0.36424%0.239SC..SBendtrans-97.8142.3-177.9171.40000110.5D160 K168D160-V163 HydrophobicContact CB-CB 4.44Å; D160-V163 PolarHBondContact O-N 3.12Å; D160-V163 PolarHBondContact OD1-N 2.84Å; D160-V163 WeakPolarHBondContact OD2-CG2 3.28Å; V163-K168 WeakPolarHBondContact O-CE 3.35Å; V163-K168 PolarHBondContact O-NZ 3.49Å
164R95.4Very high97.1Very high121 Ų12153.9 Ų53.946%0.45727%0.267SS..  trans-92.9133.2167.9-62.2-66.4170.4150.8-3.8109.9E346 Q354R164-E346 IonicContact CZ-OE1 2.77Å; R164-E346 IonicContact CZ-OE2 3.41Å; R164-E346 IonicContact NH2-OE1 3.37Å; R164-E346 PolarHBondContact NH2-OE1 2.79Å; R164-E346 IonicContact NH2-OE2 2.79Å; R164-E346 PolarHBondContact NH2-OE2 3.17Å; R164-Q354 VanDerWaalsContact CA-OE1 3.23Å
165Y97.6Very high97.2Very high104 Ų10450.9 Ų50.941%0.40826%0.259SS..  trans-152.1141.7-179.5-162.8-103.3000110.4I155 E157 F167 K168 Q354I155-Y165 HydrophobicContact CD1-CD1 3.93Å; I155-Y165 HydrophobicContact CD1-CE1 3.64Å; E157-Y165 HydrophobicContact CB-CD1 4.25Å; E157-Y165 HydrophobicContact CB-CG 4.15Å; E157-Y165 HydrophobicContact CG-CD1 4.37Å; E157-Y165 HydrophobicContact CG-CD2 4.08Å; E157-Y165 HydrophobicContact CG-CG 4Å; Y165-F167 PolarHBondContact O-N 2.86Å; Y165-K168 HydrophobicContact CD1-CG 4.37Å; Y165-Q354 PolarHBondContact O-NE2 2.86Å; Y165-Q354 PolarHBondContact O-OE1 3.48Å
166D97.2Very high97.2Very high95 Ų9549.7 Ų49.751%0.50825%0.253SS..THydrogen-bonded Turntrans-68.8-35.4-168.3-71-26.9000113.3R241D166-R241 HydrophobicContact CB-CB 4.34Å; D166-R241 VanDerWaalsContact O-CD 3.27Å; D166-R241 WeakPolarHBondContact O-CD 3.27Å; D166-R241 PolarHBondContact O-NH1 2.8Å
167F98.4Very high97.3Very high15 Ų1544.2 Ų44.27%0.06623%0.23CC..THydrogen-bonded Turntrans-137.866.5-173.6-63.6-81.7000112.1Y165 G169 N170 P204 S206 I238 R241 E242Y165-F167 PolarHBondContact O-N 2.86Å; F167-G169 PolarHBondContact O-N 3.42Å; F167-G169 VanDerWaalsContact O-N 3.16Å; F167-N170 WeakPolarHBondContact O-CB 3.33Å; F167-N170 VanDerWaalsContact O-CG 3.23Å; F167-N170 PolarHBondContact O-N 3.39Å; F167-P204 CarbonylContact C-O 3.59Å; F167-P204 WeakPolarHBondContact CA-O 3.44Å; F167-P204 HydrophobicContact CD1-CB 3.97Å; F167-P204 HydrophobicContact CD1-CG 3.96Å; F167-P204 HydrophobicContact CE1-CB 4.31Å; F167-P204 HydrophobicContact CE1-CG 4.43Å; F167-S206 VanDerWaalsContact CD1-N 3.31Å; F167-I238 HydrophobicContact CE1-CG1 4.2Å; F167-R241 HydrophobicContact CE1-CB 4.39Å; F167-R241 HydrophobicContact CE2-CB 3.66Å; F167-R241 HydrophobicContact CZ-CB 3.49Å; F167-R241 VanDerWaalsContact CZ-CB 3.49Å; F167-E242 HydrophobicContact CE2-CG 3.8Å; F167-E242 HydrophobicContact CZ-CG 3.72Å
168K98.4Very high97.4Very high0 Ų049.5 Ų49.50%025%0.249CC..THydrogen-bonded Turntrans-63.8-12.6177.7-73.1-171.5174.7-161.10114.8E157 A158 D160 V163 Y165 N170 Q203E157-K168 HydrophobicContact CB-CG 4.28Å; E157-K168 VanDerWaalsContact O-CD 3.26Å; E157-K168 WeakPolarHBondContact O-CD 3.43Å; E157-K168 WeakPolarHBondContact O-CE 3.48Å; E157-K168 PolarHBondContact O-NZ 3.38Å; A158-K168 WeakPolarHBondContact CA-O 3.24Å; A158-K168 VanDerWaalsContact CB-O 3.26Å; A158-K168 WeakPolarHBondContact CB-O 3.34Å; D160-K168 PolarHBondContact O-NZ 2.93Å; V163-K168 WeakPolarHBondContact O-CE 3.35Å; V163-K168 PolarHBondContact O-NZ 3.49Å; Y165-K168 HydrophobicContact CD1-CG 4.37Å; K168-N170 VanDerWaalsContact C-N 3.29Å; K168-Q203 HydrophobicContact CB-CB 3.62Å; K168-Q203 HydrophobicContact CB-CG 3.53Å; K168-Q203 HydrophobicContact CD-CG 4.32Å
169G98.3Very high97.4Very high2 Ų249.8 Ų49.82%0.02125%0.251CS..THydrogen-bonded Turntrans-82.5-3175.200000114N133 F167 P204 V205N133-G169 WeakPolarHBondContact CB-O 3.16Å; N133-G169 PolarHBondContact ND2-O 2.87Å; F167-G169 PolarHBondContact O-N 3.42Å; F167-G169 VanDerWaalsContact O-N 3.16Å; G169-P204 VanDerWaalsContact CA-O 3.3Å; G169-P204 WeakPolarHBondContact CA-O 3.43Å; G169-P204 PolarHBondContact N-O 3.36Å; G169-V205 WeakPolarHBondContact O-CG2 3.49Å
170N98.8Very high97.5Very high14 Ų1448.6 Ų48.68%0.07525%0.246CC..  trans-61.9147.7-176-79.4-4.6000113.7I155 F167 K168 V205 S206 N209I155-N170 HydrophobicContact CD1-CB 4.07Å; I155-N170 HydrophobicContact CG1-CB 4.42Å; I155-N170 HydrophobicContact CG2-CB 4.23Å; I155-N170 PolarHBondContact N-O 3.25Å; F167-N170 WeakPolarHBondContact O-CB 3.33Å; F167-N170 VanDerWaalsContact O-CG 3.23Å; F167-N170 PolarHBondContact O-N 3.39Å; K168-N170 VanDerWaalsContact C-N 3.29Å; N170-V205 WeakPolarHBondContact OD1-CA 3.19Å; N170-V205 WeakPolarHBondContact OD1-CG1 3.34Å; N170-S206 PolarHBondContact ND2-OG 2.93Å; N170-S206 PolarHBondContact OD1-N 3.49Å; N170-N209 WeakPolarHBondContact CA-OD1 3.39Å; N170-N209 HydrophobicContact CB-CB 4.17Å; N170-N209 VanDerWaalsContact CG-CB 3.46Å; N170-N209 VanDerWaalsContact CG-CG 3.43Å; N170-N209 WeakPolarHBondContact OD1-CB 3.23Å
171F98.8Very high97.6Very high1 Ų150.5 Ų50.50%0.00425%0.253CS..BIsolated β-bridgetrans-64.5140.4164.5-75.3-94.6000110.6S132 N133 V153 I155 L173 L176 I191 V192 A193 N209 M213S132-F171 VanDerWaalsContact C-CE1 3.45Å; N133-F171 HydrophobicContact CB-CD1 3.92Å; N133-F171 HydrophobicContact CB-CD2 3.66Å; N133-F171 HydrophobicContact CB-CE1 3.94Å; N133-F171 HydrophobicContact CB-CE2 3.62Å; N133-F171 HydrophobicContact CB-CG 3.8Å; N133-F171 HydrophobicContact CB-CZ 3.78Å; N133-F171 VanDerWaalsContact N-CZ 3.26Å; V153-F171 WeakPolarHBondContact O-CA 3.27Å; I155-F171 WeakPolarHBondContact CG2-O 3.42Å; F171-L173 HydrophobicContact CB-CD2 4.24Å; F171-L173 PolarHBondContact O-N 2.97Å; F171-L176 HydrophobicContact CD1-CD2 4.1Å; F171-L176 HydrophobicContact CE1-CD2 4.48Å; F171-I191 HydrophobicContact CE1-CG2 3.93Å; F171-I191 HydrophobicContact CZ-CG2 3.94Å; F171-V192 WeakPolarHBondContact CZ-O 3.5Å; F171-A193 HydrophobicContact CE2-CB 3.81Å; F171-A193 HydrophobicContact CZ-CB 4.07Å; F171-N209 PolarHBondContact N-OD1 3.33Å; F171-N209 PolarHBondContact O-ND2 3.18Å; F171-M213 HydrophobicContact CD1-CG 4.19Å; F171-M213 HydrophobicContact CD2-CB 4.12Å; F171-M213 HydrophobicContact CD2-CG 3.82Å; F171-M213 HydrophobicContact CE1-CG 4.17Å; F171-M213 HydrophobicContact CE2-CB 4.5Å; F171-M213 HydrophobicContact CE2-CE 4.09Å; F171-M213 HydrophobicContact CE2-CG 3.83Å; F171-M213 HydrophobicContact CE2-SD 4.47Å; F171-M213 HydrophobicContact CG-CB 4.39Å; F171-M213 HydrophobicContact CG-CG 4.01Å; F171-M213 HydrophobicContact CZ-CE 4.46Å; F171-M213 HydrophobicContact CZ-CG 4Å; F171-M213 HydrophobicContact CZ-SD 4.43Å
172D98.7Very high97.8Very high54 Ų5456.4 Ų56.429%0.28928%0.28SS..  trans-73.4101.8155.2171.712.6000108.3V153 I155 E174 G175 L176V153-D172 HydrophobicContact CG1-CB 3.96Å; V153-D172 WeakPolarHBondContact CG1-O 3.35Å; V153-D172 PolarHBondContact O-N 2.87Å; I155-D172 HydrophobicContact CG2-CB 4.39Å; D172-E174 PolarHBondContact OD1-N 2.9Å; D172-G175 VanDerWaalsContact CG-N 3.3Å; D172-G175 PolarHBondContact O-N 3.47Å; D172-G175 PolarHBondContact OD1-N 3.22Å; D172-G175 WeakPolarHBondContact OD2-CA 3.29Å; D172-G175 PolarHBondContact OD2-N 3.32Å; D172-L176 WeakPolarHBondContact O-CB 3.31Å; D172-L176 PolarHBondContact O-N 3.05Å
173L98.8Very high98.1Very high52 Ų5254.6 Ų54.627%0.27226%0.257SS..Hα-helixtrans-66.4-39.9-173.8-63.6171.9000112.4F171 L176 E177 A212 M213 I216F171-L173 HydrophobicContact CB-CD2 4.24Å; F171-L173 PolarHBondContact O-N 2.97Å; L173-L176 PolarHBondContact O-N 3.41Å; L173-E177 PolarHBondContact O-N 2.88Å; L173-A212 HydrophobicContact CD1-CB 3.5Å; L173-A212 HydrophobicContact CD2-CB 3.98Å; L173-A212 HydrophobicContact CG-CB 4.41Å; L173-M213 HydrophobicContact CD2-CB 3.97Å; L173-I216 HydrophobicContact CB-CD1 4.03Å; L173-I216 HydrophobicContact CD2-CD1 4.02Å
174E98.6Very high98.3Very high146 Ų14652.8 Ų52.868%0.68225%0.25SS*.Hα-helixtrans-68.6-42.1176.6-66.1-178.1-174.200110.5D172 L176 R178D172-E174 PolarHBondContact OD1-N 2.9Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.03Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.75Å
175G98.6Very high98.5Very high13 Ų1348.7 Ų48.713%0.13424%0.239CC..Hα-helixtrans-58.6-39.6172.100000112.9D172 G179D172-G175 VanDerWaalsContact CG-N 3.3Å; D172-G175 PolarHBondContact O-N 3.47Å; D172-G175 PolarHBondContact OD1-N 3.22Å; D172-G175 WeakPolarHBondContact OD2-CA 3.29Å; D172-G175 PolarHBondContact OD2-N 3.32Å; G175-G179 PolarHBondContact O-N 3.29Å
176L98.9Very high98.5Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-67.9-51.4-179.2176.562.9000110.8F131 V153 F171 D172 L173 E174 G179 I180 I191 M213F131-L176 HydrophobicContact CB-CD1 3.79Å; F131-L176 HydrophobicContact CD1-CD1 4.3Å; F131-L176 HydrophobicContact CG-CD1 3.98Å; V153-L176 HydrophobicContact CG1-CB 3.99Å; F171-L176 HydrophobicContact CD1-CD2 4.1Å; F171-L176 HydrophobicContact CE1-CD2 4.48Å; D172-L176 WeakPolarHBondContact O-CB 3.31Å; D172-L176 PolarHBondContact O-N 3.05Å; L173-L176 PolarHBondContact O-N 3.41Å; E174-L176 VanDerWaalsContact C-N 3.29Å; E174-L176 PolarHBondContact O-N 3.03Å; L176-G179 PolarHBondContact O-N 3.19Å; L176-I180 HydrophobicContact CD1-CD1 3.92Å; L176-I180 HydrophobicContact CD1-CG1 4.33Å; L176-I180 HydrophobicContact CG-CD1 3.9Å; L176-I180 WeakPolarHBondContact O-CG1 3.26Å; L176-I180 PolarHBondContact O-N 3.23Å; L176-I191 HydrophobicContact CD1-CD1 4.39Å; L176-M213 HydrophobicContact CD2-CB 4.43Å; L176-M213 HydrophobicContact CD2-CG 3.64Å
177E98.7Very high98.6Very high55 Ų5544 Ų4426%0.25722%0.221SC..Hα-helixtrans-61.7-47.9-179.5-175.7159.4-133.300111.2L173 G179 I180 E181 I216 K219 Y220L173-E177 PolarHBondContact O-N 2.88Å; E177-G179 VanDerWaalsContact C-N 3.3Å; E177-G179 PolarHBondContact O-N 3.01Å; E177-I180 PolarHBondContact O-N 3.29Å; E177-E181 WeakPolarHBondContact O-CG 3.28Å; E177-E181 PolarHBondContact O-N 3.44Å; E177-I216 HydrophobicContact CB-CD1 4.42Å; E177-I216 HydrophobicContact CB-CG2 4.17Å; E177-I216 HydrophobicContact CG-CG2 4.47Å; E177-K219 IonicContact OE1-NZ 2.66Å; E177-K219 PolarHBondContact OE1-NZ 2.77Å; E177-Y220 HydrophobicContact CG-CE2 4.01Å; E177-Y220 PolarHBondContact OE1-OH 3.19Å
178R98.7Very high98.6Very high146 Ų14643.2 Ų43.255%0.55122%0.218SC*.Hα-helixtrans-58-41.6174.6175.417144.1-142.1-12.5112.4E174 E181 E182E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.75Å; R178-E181 PolarHBondContact O-N 3.49Å; R178-E182 WeakPolarHBondContact O-CB 3.25Å; R178-E182 PolarHBondContact O-N 3.41Å
179G98.7Very high98.6Very high6 Ų643.2 Ų43.26%0.06222%0.218CC..Hα-helixtrans-64.8-40.6177.800000112.8F131 G175 L176 E177 V183F131-G179 VanDerWaalsContact CZ-C 3.46Å; F131-G179 WeakPolarHBondContact CZ-O 3.34Å; G175-G179 PolarHBondContact O-N 3.29Å; L176-G179 PolarHBondContact O-N 3.19Å; E177-G179 VanDerWaalsContact C-N 3.3Å; E177-G179 PolarHBondContact O-N 3.01Å; G179-V183 WeakPolarHBondContact O-CB 3.5Å; G179-V183 WeakPolarHBondContact O-CG2 3.49Å; G179-V183 PolarHBondContact O-N 3.46Å; G179-V183 VanDerWaalsContact O-N 3.13Å
180I98.8Very high98.6Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-63.2-43.7175.3-71162.8000110.7F131 L176 E177 G184 P185 I191 I216 Y220 I222F131-I180 HydrophobicContact CD2-CG1 4.23Å; F131-I180 HydrophobicContact CE2-CG1 4.04Å; L176-I180 HydrophobicContact CD1-CD1 3.92Å; L176-I180 HydrophobicContact CD1-CG1 4.33Å; L176-I180 HydrophobicContact CG-CD1 3.9Å; L176-I180 WeakPolarHBondContact O-CG1 3.26Å; L176-I180 PolarHBondContact O-N 3.23Å; E177-I180 PolarHBondContact O-N 3.29Å; I180-G184 CarbonylContact O-C 3.52Å; I180-G184 PolarHBondContact O-N 2.64Å; I180-P185 HydrophobicContact CG2-CB 4.24Å; I180-P185 HydrophobicContact CG2-CG 3.91Å; I180-I191 HydrophobicContact CD1-CD1 4.1Å; I180-I216 HydrophobicContact CD1-CG2 3.97Å; I180-Y220 HydrophobicContact CD1-CD2 4.37Å; I180-Y220 HydrophobicContact CG2-CD1 4.16Å; I180-Y220 HydrophobicContact CG2-CD2 3.84Å; I180-Y220 HydrophobicContact CG2-CE2 4.25Å; I180-Y220 HydrophobicContact CG2-CG 3.8Å; I180-I222 HydrophobicContact CD1-CD1 3.89Å; I180-I222 HydrophobicContact CG1-CD1 4.01Å; I180-I222 HydrophobicContact CG2-CD1 3.75Å
181E98.6Very high98.6Very high113 Ų11342.5 Ų42.553%0.52821%0.214SC..Hα-helixtrans-66.3-42.1178.7-70-178.7159.400112.5E177 R178 V183 G184 Y220E177-E181 WeakPolarHBondContact O-CG 3.28Å; E177-E181 PolarHBondContact O-N 3.44Å; R178-E181 PolarHBondContact O-N 3.49Å; E181-V183 PolarHBondContact O-N 2.75Å; E181-G184 PolarHBondContact O-N 2.87Å; E181-Y220 HydrophobicContact CG-CE1 4.36Å; E181-Y220 PolarHBondContact OE1-OH 2.84Å
182E98.4Very high98.6Very high130 Ų13042.5 Ų42.561%0.60721%0.214SC*.Hα-helixtrans-60.1-44.8176.6-175.7-154.713400112R151 R178 G184R151-E182 IonicContact CZ-OE1 3.01Å; R151-E182 VanDerWaalsContact NH1-CD 3.25Å; R151-E182 IonicContact NH1-OE1 3.26Å; R151-E182 PolarHBondContact NH1-OE1 3.14Å; R151-E182 IonicContact NH1-OE2 3.72Å; R151-E182 PolarHBondContact NH1-OE2 3.39Å; R151-E182 IonicContact NH2-OE1 2.68Å; R151-E182 PolarHBondContact NH2-OE1 2.84Å; R178-E182 WeakPolarHBondContact O-CB 3.25Å; R178-E182 PolarHBondContact O-N 3.41Å; E182-G184 VanDerWaalsContact C-N 3.33Å
183V97.9Very high98.6Very high20 Ų2039.9 Ų39.912%0.12120%0.2CC..Hα-helixtrans-75.2-26.8-178.8167.70000112.1V129 F131 G179 E181 N187 V188V129-V183 HydrophobicContact CB-CG1 3.9Å; V129-V183 HydrophobicContact CB-CG2 3.91Å; V129-V183 HydrophobicContact CG1-CG2 4.33Å; V129-V183 HydrophobicContact CG2-CB 4.31Å; V129-V183 HydrophobicContact CG2-CG1 3.76Å; V129-V183 HydrophobicContact CG2-CG2 3.52Å; F131-V183 HydrophobicContact CZ-CG2 4.05Å; G179-V183 WeakPolarHBondContact O-CB 3.5Å; G179-V183 WeakPolarHBondContact O-CG2 3.49Å; G179-V183 PolarHBondContact O-N 3.46Å; G179-V183 VanDerWaalsContact O-N 3.13Å; E181-V183 PolarHBondContact O-N 2.75Å; V183-N187 HydrophobicContact CG1-CB 3.77Å; V183-N187 PolarHBondContact O-ND2 3.11Å; V183-V188 HydrophobicContact CG1-CG2 4.04Å
184G98.4Very high98.6Very high21 Ų2137.5 Ų37.522%0.21619%0.188CC..  trans84.9120.2-166.100000110.5I180 E181 E182 N186 N187I180-G184 CarbonylContact O-C 3.52Å; I180-G184 PolarHBondContact O-N 2.64Å; E181-G184 PolarHBondContact O-N 2.87Å; E182-G184 VanDerWaalsContact C-N 3.33Å; G184-N186 PolarHBondContact O-N 2.87Å; G184-N187 PolarHBondContact O-N 2.86Å
185P98.4Very high98.6Very high35 Ų3530.7 Ų30.723%0.22716%0.156CC..G310 helixtrans-50.1-33.7-176.2-32.835.9000116.1R117 I180 N187 V188 Y220R117-P185 PolarHBondContact NH2-O 2.82Å; I180-P185 HydrophobicContact CG2-CB 4.24Å; I180-P185 HydrophobicContact CG2-CG 3.91Å; P185-N187 PolarHBondContact O-N 2.81Å; P185-V188 PolarHBondContact O-N 2.75Å; P185-Y220 HydrophobicContact CB-CD1 4.03Å; P185-Y220 HydrophobicContact CB-CG 4.4Å; P185-Y220 HydrophobicContact CG-CD1 3.41Å; P185-Y220 VanDerWaalsContact CG-CD1 3.41Å; P185-Y220 HydrophobicContact CG-CE1 3.98Å; P185-Y220 HydrophobicContact CG-CG 4.15Å
186N98.4Very high98.6Very high80 Ų8030.1 Ų30.143%0.42815%0.15SC..G310 helixtrans-66.6-23.6-179.9-68.4-2.7000112.8R117 K121 L123 G184 V188R117-N186 WeakPolarHBondContact CG-O 3.25Å; K121-N186 HydrophobicContact CB-CB 3.93Å; K121-N186 WeakPolarHBondContact O-CB 3.46Å; K121-N186 PolarHBondContact O-ND2 2.79Å; L123-N186 WeakPolarHBondContact CB-O 3.36Å; G184-N186 PolarHBondContact O-N 2.87Å; N186-V188 VanDerWaalsContact C-N 3.32Å
187N98.6Very high98.5Very high20 Ų2030.2 Ų30.211%0.10715%0.15CC..G310 helixtrans-91.36179.4-56.7-45.9000113D124 K127 M128 V129 V183 G184 P185 P189D124-N187 PolarHBondContact N-OD1 3.09Å; K127-N187 HydrophobicContact CB-CB 4.21Å; M128-N187 WeakPolarHBondContact CA-O 3.25Å; V129-N187 PolarHBondContact N-O 3.44Å; V183-N187 HydrophobicContact CG1-CB 3.77Å; V183-N187 PolarHBondContact O-ND2 3.11Å; G184-N187 PolarHBondContact O-N 2.86Å; P185-N187 PolarHBondContact O-N 2.81Å; N187-P189 WeakPolarHBondContact O-CD 3.46Å
188V98.7Very high98.4Very high0 Ų027.8 Ų27.80%014%0.139CC..  trans-102.4106.8175-172.30000108.8R117 V129 F131 V183 P185 N186 I222R117-V188 PolarHBondContact NE-O 2.72Å; V129-V188 WeakPolarHBondContact O-CA 3.26Å; F131-V188 HydrophobicContact CD2-CG1 3.81Å; F131-V188 HydrophobicContact CD2-CG2 4.26Å; F131-V188 HydrophobicContact CE2-CG1 4.17Å; F131-V188 HydrophobicContact CE2-CG2 3.75Å; V183-V188 HydrophobicContact CG1-CG2 4.04Å; P185-V188 PolarHBondContact O-N 2.75Å; N186-V188 VanDerWaalsContact C-N 3.32Å; V188-I222 HydrophobicContact CB-CD1 3.88Å; V188-I222 HydrophobicContact CB-CG1 4.31Å; V188-I222 HydrophobicContact CB-CG2 4.39Å; V188-I222 HydrophobicContact CG1-CD1 3.94Å; V188-I222 HydrophobicContact CG1-CG1 4.43Å; V188-I222 HydrophobicContact CG1-CG2 3.76Å; V188-I222 HydrophobicContact CG2-CD1 4.33Å
189P98.5Very high98.1Very high0 Ų021 Ų210%011%0.114CC..  trans-76.5-31.8-177.530.7-33.5000112.3I114 R117 L123 M128 V129 N187 P223I114-P189 HydrophobicContact CG1-CB 3.97Å; I114-P189 HydrophobicContact CG1-CG 4.2Å; R117-P189 HydrophobicContact CB-CB 4.38Å; L123-P189 HydrophobicContact CD1-CB 4.03Å; L123-P189 HydrophobicContact CD1-CG 4.4Å; M128-P189 HydrophobicContact CG-CG 3.98Å; M128-P189 HydrophobicContact SD-CB 4.5Å; M128-P189 HydrophobicContact SD-CG 4.01Å; V129-P189 VanDerWaalsContact O-CD 3.3Å; V129-P189 WeakPolarHBondContact O-CD 3.33Å; N187-P189 WeakPolarHBondContact O-CD 3.46Å; P189-P223 WeakPolarHBondContact O-CD 3.37Å
190Y98.8Very high97.9Very high0 Ų020.8 Ų20.80%011%0.111CC..  trans-166.6164.7178.453.3-93.9000112I110 L113 I114 A130 S143 V192 P223I110-Y190 HydrophobicContact CG1-CE1 4.42Å; I110-Y190 HydrophobicContact CG2-CE1 4.27Å; L113-Y190 HydrophobicContact CB-CD1 3.94Å; L113-Y190 HydrophobicContact CD1-CD1 3.92Å; L113-Y190 HydrophobicContact CD1-CG 4.1Å; I114-Y190 HydrophobicContact CG1-CE1 4.45Å; A130-Y190 HydrophobicContact CB-CD2 4.22Å; A130-Y190 HydrophobicContact CB-CE2 3.7Å; S143-Y190 WeakPolarHBondContact CB-OH 3.4Å; S143-Y190 PolarHBondContact OG-OH 2.84Å; Y190-V192 HydrophobicContact CD2-CG2 3.66Å; Y190-V192 HydrophobicContact CE2-CG2 3.71Å; Y190-P223 CarbonylContact C-O 3.42Å; Y190-P223 VanDerWaalsContact CA-O 3.24Å; Y190-P223 WeakPolarHBondContact CA-O 3.03Å
191I98.9Very high97.7Very high0 Ų020.8 Ų20.80%011%0.111CC..EExtended strand (participates in β ladder)trans-114.6136.2166.6-64.4159.4000108.4F131 F171 L176 I180 M213 A217 I222 P223 V224 V225F131-I191 HydrophobicContact CB-CG1 4.29Å; F131-I191 CarbonylContact O-C 3.31Å; F131-I191 WeakPolarHBondContact O-CA 3.2Å; F171-I191 HydrophobicContact CE1-CG2 3.93Å; F171-I191 HydrophobicContact CZ-CG2 3.94Å; L176-I191 HydrophobicContact CD1-CD1 4.39Å; I180-I191 HydrophobicContact CD1-CD1 4.1Å; I191-M213 HydrophobicContact CG2-SD 3.86Å; I191-A217 HydrophobicContact CD1-CB 3.79Å; I191-I222 HydrophobicContact CD1-CB 4.27Å; I191-I222 HydrophobicContact CD1-CD1 4.45Å; I191-I222 HydrophobicContact CD1-CG2 3.89Å; I191-I222 HydrophobicContact CG1-CG2 3.87Å; I191-P223 PolarHBondContact N-O 3.07Å; I191-V224 HydrophobicContact CB-CG2 4.44Å; I191-V224 WeakPolarHBondContact O-CA 3.25Å; I191-V225 PolarHBondContact O-N 2.85Å
192V98.8Very high97.6Very high1 Ų115.4 Ų15.41%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-105.9118.5174.8-178.90000110.7F131 S132 F135 T139 F171 Y190 V225 D227F131-V192 PolarHBondContact O-N 3.15Å; S132-V192 WeakPolarHBondContact CA-O 3.44Å; S132-V192 WeakPolarHBondContact CB-O 3.48Å; S132-V192 PolarHBondContact OG-O 3.14Å; F135-V192 HydrophobicContact CD1-CB 4.37Å; F135-V192 HydrophobicContact CD1-CG2 4.37Å; F135-V192 HydrophobicContact CE1-CB 3.9Å; F135-V192 HydrophobicContact CE1-CG2 3.64Å; F135-V192 HydrophobicContact CZ-CG2 4.45Å; T139-V192 HydrophobicContact CG2-CG2 4.14Å; F171-V192 WeakPolarHBondContact CZ-O 3.5Å; Y190-V192 HydrophobicContact CD2-CG2 3.66Å; Y190-V192 HydrophobicContact CE2-CG2 3.71Å; V192-V225 CarbonylContact C-O 3.31Å; V192-V225 VanDerWaalsContact CA-O 3.27Å; V192-V225 WeakPolarHBondContact CA-O 3.47Å; V192-D227 HydrophobicContact CG1-CB 4.11Å
193A98.8Very high97.6Very high0 Ų09.2 Ų9.20%06%0.057CC..EExtended strand (participates in β ladder)trans-97.2107.217100000110.1F171 L210 M213 V225 M226 D227F171-A193 HydrophobicContact CE2-CB 3.81Å; F171-A193 HydrophobicContact CZ-CB 4.07Å; A193-L210 HydrophobicContact CB-CD2 4Å; A193-M213 HydrophobicContact CB-CE 3.76Å; A193-V225 PolarHBondContact N-O 2.54Å; A193-M226 HydrophobicContact CB-CE 4.39Å; A193-M226 HydrophobicContact CB-SD 3.67Å; A193-M226 CarbonylContact O-C 3.57Å; A193-M226 WeakPolarHBondContact O-CA 3.17Å; A193-M226 VanDerWaalsContact O-SD 3.35Å; A193-D227 PolarHBondContact O-N 3.15Å
194T98.7Very high97.7Very high2 Ų28.2 Ų8.21%0.0125%0.052CC..EExtended strand (participates in β ladder)trans-88.9114.7-178.9-490000110.5S132 N133 Y134 T196 S197 V205 D227S132-T194 PolarHBondContact OG-OG1 3.17Å; N133-T194 PolarHBondContact ND2-O 3.29Å; N133-T194 PolarHBondContact OD1-N 2.86Å; Y134-T194 WeakPolarHBondContact O-CB 3.37Å; Y134-T194 PolarHBondContact O-OG1 3.15Å; T194-T196 CarbonylContact O-C 3.55Å; T194-S197 PolarHBondContact O-N 2.91Å; T194-V205 WeakPolarHBondContact O-CG2 3.37Å; T194-D227 HydrophobicContact CG2-CB 4.22Å
195I98.7Very high97.7Very high2 Ų27.2 Ų7.21%0.014%0.041CC..SBendtrans-122.1117.7-17960.3167.3000112V205 L210 M226 D227 R230 F231 N234 T257I195-V205 HydrophobicContact CG2-CB 3.93Å; I195-V205 HydrophobicContact CG2-CG2 3.74Å; I195-L210 HydrophobicContact CG2-CD1 4.3Å; I195-L210 HydrophobicContact CG2-CD2 4.28Å; I195-M226 HydrophobicContact CB-SD 4.33Å; I195-M226 HydrophobicContact CD1-CE 4.42Å; I195-M226 HydrophobicContact CD1-CG 3.68Å; I195-M226 HydrophobicContact CD1-SD 3.57Å; I195-M226 VanDerWaalsContact CD1-SD 3.57Å; I195-M226 HydrophobicContact CG1-CG 3.79Å; I195-M226 HydrophobicContact CG1-SD 3.66Å; I195-M226 HydrophobicContact CG2-SD 3.72Å; I195-D227 WeakPolarHBondContact CG1-O 3.29Å; I195-D227 PolarHBondContact N-O 3.27Å; I195-R230 CarbonylContact O-C 3.56Å; I195-R230 WeakPolarHBondContact O-CA 3.24Å; I195-R230 PolarHBondContact O-N 3.4Å; I195-F231 HydrophobicContact CD1-CB 4.32Å; I195-N234 HydrophobicContact CB-CB 3.96Å; I195-T257 HydrophobicContact CD1-CG2 4.07Å
196T98.2Very high97.7Very high2 Ų26 Ų61%0.0123%0.033CC..SBendcis-66.1156.1-18.556.10000111.5T194 N198 G202 Q203 P204 E233 N234 F237T194-T196 CarbonylContact O-C 3.55Å; T196-N198 PolarHBondContact O-N 3.09Å; T196-G202 WeakPolarHBondContact CB-O 3.24Å; T196-G202 PolarHBondContact OG1-O 3.42Å; T196-Q203 CarbonylContact C-O 3.49Å; T196-Q203 WeakPolarHBondContact CB-O 3.32Å; T196-P204 HydrophobicContact CG2-CB 4.27Å; T196-E233 HydrophobicContact CG2-CB 4.38Å; T196-N234 HydrophobicContact CG2-CB 3.96Å; T196-F237 HydrophobicContact CG2-CD2 4.21Å; T196-F237 HydrophobicContact CG2-CE2 4.29Å
197S97.3Very high97.7Very high1 Ų12.2 Ų2.21%0.0071%0.013CC..BIsolated β-bridgetrans-68100.8178.5-179.50000110.4Y134 T194 S199 A200 G202 Q203Y134-S197 WeakPolarHBondContact CB-OG 3.27Å; T194-S197 PolarHBondContact O-N 2.91Å; S197-S199 PolarHBondContact O-N 2.84Å; S197-A200 PolarHBondContact O-N 2.91Å; S197-A200 WeakPolarHBondContact OG-CB 3.22Å; S197-G202 CarbonylContact O-C 3.53Å; S197-G202 WeakPolarHBondContact O-CA 3.36Å; S197-G202 PolarHBondContact O-N 3.27Å; S197-Q203 PolarHBondContact N-O 2.99Å; S197-Q203 PolarHBondContact O-N 2.97Å
198N95.5Very high97.7Very high4 Ų44.1 Ų4.12%0.0213%0.032CC..THydrogen-bonded Turntrans-57-52.4-174.2177.888.8000111.8F136 T196 A200 G201 G202 R230 H358 F361 R419F136-N198 HydrophobicContact CD2-CB 4.14Å; T196-N198 PolarHBondContact O-N 3.09Å; N198-A200 VanDerWaalsContact C-N 3.32Å; N198-A200 PolarHBondContact O-N 2.87Å; N198-G201 PolarHBondContact O-N 3.15Å; N198-G202 PolarHBondContact O-N 3.1Å; N198-G202 VanDerWaalsContact O-N 3.17Å; N198-R230 PolarHBondContact OD1-NH1 3.35Å; N198-H358 PolarHBondContact OD1-NE2 2.7Å; N198-F361 WeakPolarHBondContact O-CZ 3.41Å; N198-R419 PolarHBondContact ND2-NH1 3.06Å; N198-R419 VanDerWaalsContact ND2-NH1 3.18Å; N198-R419 PolarHBondContact OD1-NH1 2.88Å
199S93.8Very high97.7Very high4 Ų44.7 Ų4.73%0.0284%0.035CC..THydrogen-bonded Turntrans-76.6-19.4-171.8-52.90000113.4F135 F159 S197 G201F135-S199 PolarHBondContact O-OG 2.77Å; F159-S199 WeakPolarHBondContact CE1-O 3.31Å; S197-S199 PolarHBondContact O-N 2.84Å; S199-G201 PolarHBondContact O-N 3.38Å
200A93.6Very high97.7Very high1 Ų14.7 Ų4.71%0.0084%0.035CC..THydrogen-bonded Turntrans-82.913.1171.400000113.2A158 F159 S197 N198 Q203 Q353A158-A200 HydrophobicContact CB-CB 4.27Å; F159-A200 HydrophobicContact CE2-CB 4.48Å; F159-A200 HydrophobicContact CZ-CB 4.1Å; S197-A200 PolarHBondContact O-N 2.91Å; S197-A200 WeakPolarHBondContact OG-CB 3.22Å; N198-A200 VanDerWaalsContact C-N 3.32Å; N198-A200 PolarHBondContact O-N 2.87Å; A200-Q203 WeakPolarHBondContact O-CG 3.3Å; A200-Q353 PolarHBondContact O-NE2 2.88Å
201G95.7Very high97.7Very high0 Ų010.1 Ų10.10%06%0.058CC..THydrogen-bonded Turntrans95.130.9-179.200000114.5N198 S199 Q203 F361N198-G201 PolarHBondContact O-N 3.15Å; S199-G201 PolarHBondContact O-N 3.38Å; G201-Q203 PolarHBondContact O-N 3.33Å; G201-Q203 PolarHBondContact O-NE2 2.97Å; G201-F361 VanDerWaalsContact CA-CD2 3.42Å; G201-F361 VanDerWaalsContact CA-CZ 3.47Å
202G96.4Very high97.7Very high0 Ų011.6 Ų11.60%07%0.071CC..SBendtrans62.331.7-177.800000113.9T196 S197 N198 G356 G357 H358T196-G202 WeakPolarHBondContact CB-O 3.24Å; T196-G202 PolarHBondContact OG1-O 3.42Å; S197-G202 CarbonylContact O-C 3.53Å; S197-G202 WeakPolarHBondContact O-CA 3.36Å; S197-G202 PolarHBondContact O-N 3.27Å; N198-G202 PolarHBondContact O-N 3.1Å; N198-G202 VanDerWaalsContact O-N 3.17Å; G202-G356 CarbonylContact O-C 3.51Å; G202-G356 VanDerWaalsContact O-CA 3.29Å; G202-G356 WeakPolarHBondContact O-CA 3.35Å; G202-G357 PolarHBondContact O-N 3.37Å; G202-H358 WeakPolarHBondContact CA-CE1 3.49Å
203Q98.3Very high97.7Very high0 Ų011.6 Ų11.60%07%0.071CC..BIsolated β-bridgetrans-83139.9-171.4-65.1-60.6-58.800112K168 T196 S197 A200 G201 Q353 Q354K168-Q203 HydrophobicContact CB-CB 3.62Å; K168-Q203 HydrophobicContact CB-CG 3.53Å; K168-Q203 HydrophobicContact CD-CG 4.32Å; T196-Q203 CarbonylContact C-O 3.49Å; T196-Q203 WeakPolarHBondContact CB-O 3.32Å; S197-Q203 PolarHBondContact N-O 2.99Å; S197-Q203 PolarHBondContact O-N 2.97Å; A200-Q203 WeakPolarHBondContact O-CG 3.3Å; G201-Q203 PolarHBondContact O-N 3.33Å; G201-Q203 PolarHBondContact O-NE2 2.97Å; Q203-Q353 HydrophobicContact CG-CG 4.43Å; Q203-Q354 PolarHBondContact NE2-O 3.32Å
204P98.6Very high97.7Very high0 Ų013 Ų130%08%0.076CC..  trans-74.6158.4-177.731-35000112.9F167 G169 T196 N234 F237 R241F167-P204 CarbonylContact C-O 3.59Å; F167-P204 WeakPolarHBondContact CA-O 3.44Å; F167-P204 HydrophobicContact CD1-CB 3.97Å; F167-P204 HydrophobicContact CD1-CG 3.96Å; F167-P204 HydrophobicContact CE1-CB 4.31Å; F167-P204 HydrophobicContact CE1-CG 4.43Å; G169-P204 VanDerWaalsContact CA-O 3.3Å; G169-P204 WeakPolarHBondContact CA-O 3.43Å; G169-P204 PolarHBondContact N-O 3.36Å; T196-P204 HydrophobicContact CG2-CB 4.27Å; P204-N234 VanDerWaalsContact CA-OD1 3.26Å; P204-N234 WeakPolarHBondContact CA-OD1 3.37Å; P204-F237 HydrophobicContact CB-CB 3.48Å; P204-F237 VanDerWaalsContact CB-CB 3.48Å; P204-F237 HydrophobicContact CB-CD2 3.58Å; P204-F237 HydrophobicContact CB-CE2 4.47Å; P204-F237 HydrophobicContact CB-CG 3.67Å; P204-F237 HydrophobicContact CG-CB 3.71Å; P204-F237 HydrophobicContact CG-CD1 4.16Å; P204-F237 HydrophobicContact CG-CD2 3.85Å; P204-F237 HydrophobicContact CG-CG 3.64Å; P204-R241 VanDerWaalsContact CG-NH1 3.29Å
205V98.8Very high97.7Very high0 Ų016.2 Ų16.20%010%0.099CC..  trans-110.2132.6173.3-167.40000108.3N133 G169 N170 T194 I195 N209 L210 N234N133-V205 WeakPolarHBondContact ND2-CG2 3.42Å; G169-V205 WeakPolarHBondContact O-CG2 3.49Å; N170-V205 WeakPolarHBondContact OD1-CA 3.19Å; N170-V205 WeakPolarHBondContact OD1-CG1 3.34Å; T194-V205 WeakPolarHBondContact O-CG2 3.37Å; I195-V205 HydrophobicContact CG2-CB 3.93Å; I195-V205 HydrophobicContact CG2-CG2 3.74Å; V205-N209 HydrophobicContact CG1-CB 4.37Å; V205-L210 HydrophobicContact CB-CD2 4.42Å; V205-L210 HydrophobicContact CB-CG 4.42Å; V205-L210 HydrophobicContact CG1-CD1 4.42Å; V205-L210 HydrophobicContact CG1-CD2 3.7Å; V205-L210 HydrophobicContact CG1-CG 3.73Å; V205-N234 PolarHBondContact N-OD1 3.44Å; V205-N234 PolarHBondContact O-ND2 3.18Å
206S98.7Very high97.8Very high9 Ų917 Ų176%0.06310%0.103CC..  trans-75.5152.5179.376.50000111.5F167 N170 A208 N209 L210 E242F167-S206 VanDerWaalsContact CD1-N 3.31Å; N170-S206 PolarHBondContact ND2-OG 2.93Å; N170-S206 PolarHBondContact OD1-N 3.49Å; S206-A208 VanDerWaalsContact C-N 3.28Å; S206-A208 PolarHBondContact O-N 3.28Å; S206-N209 PolarHBondContact O-N 2.89Å; S206-N209 VanDerWaalsContact OG-CB 3.27Å; S206-N209 WeakPolarHBondContact OG-CB 3.2Å; S206-N209 PolarHBondContact OG-N 3.4Å; S206-L210 WeakPolarHBondContact O-CG 3.45Å; S206-L210 PolarHBondContact O-N 3.03Å; S206-L210 VanDerWaalsContact O-N 3.08Å; S206-E242 WeakPolarHBondContact CB-OE1 3.34Å
207L98.8Very high97.8Very high1 Ų117 Ų171%0.00510%0.103CC..Hα-helixtrans-65.6-37.4176.6-171.664.8000111.1N209 L210 K211 I238 E242 Y245 E256 T257 Y260L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.24Å; L207-L210 PolarHBondContact O-N 2.93Å; L207-K211 WeakPolarHBondContact O-CB 3.28Å; L207-K211 PolarHBondContact O-N 3.28Å; L207-I238 HydrophobicContact CB-CD1 4.15Å; L207-I238 HydrophobicContact CB-CG2 4.49Å; L207-E242 VanDerWaalsContact CB-OE2 3.29Å; L207-E242 WeakPolarHBondContact CB-OE2 3.43Å; L207-E242 PolarHBondContact N-OE1 2.93Å; L207-E242 PolarHBondContact N-OE2 3.14Å; L207-Y245 HydrophobicContact CB-CE2 4.02Å; L207-Y245 HydrophobicContact CD2-CD2 4.25Å; L207-Y245 HydrophobicContact CD2-CE1 3.95Å; L207-Y245 HydrophobicContact CD2-CE2 3.54Å; L207-Y245 VanDerWaalsContact CD2-CZ 3.4Å; L207-Y245 HydrophobicContact CG-CE2 4.36Å; L207-E256 HydrophobicContact CD1-CG 4.48Å; L207-E256 HydrophobicContact CD2-CB 4.37Å; L207-E256 HydrophobicContact CD2-CG 3.57Å; L207-T257 VanDerWaalsContact CD1-CA 3.48Å; L207-Y260 HydrophobicContact CD1-CD2 3.76Å; L207-Y260 HydrophobicContact CD1-CE2 3.71Å; L207-Y260 HydrophobicContact CG-CE2 4.19Å
208A98.4Very high97.8Very high60 Ų6021.7 Ų21.750%0.49612%0.123SC..Hα-helixtrans-58-41.5174.300000112.4S206 A212 E242S206-A208 VanDerWaalsContact C-N 3.28Å; S206-A208 PolarHBondContact O-N 3.28Å; A208-A212 WeakPolarHBondContact O-CB 3.42Å; A208-A212 PolarHBondContact O-N 3.49Å; A208-E242 PolarHBondContact N-OE1 3.4Å
209N98.8Very high98Very high12 Ų1227.6 Ų27.66%0.06415%0.148CC..Hα-helixtrans-69.4-40.9178.2-174.1-102.1000111.9N170 F171 V205 S206 L207 A212 M213N170-N209 WeakPolarHBondContact CA-OD1 3.39Å; N170-N209 HydrophobicContact CB-CB 4.17Å; N170-N209 VanDerWaalsContact CG-CB 3.46Å; N170-N209 VanDerWaalsContact CG-CG 3.43Å; N170-N209 WeakPolarHBondContact OD1-CB 3.23Å; F171-N209 PolarHBondContact N-OD1 3.33Å; F171-N209 PolarHBondContact O-ND2 3.18Å; V205-N209 HydrophobicContact CG1-CB 4.37Å; S206-N209 PolarHBondContact O-N 2.89Å; S206-N209 VanDerWaalsContact OG-CB 3.27Å; S206-N209 WeakPolarHBondContact OG-CB 3.2Å; S206-N209 PolarHBondContact OG-N 3.4Å; L207-N209 VanDerWaalsContact C-N 3.3Å; L207-N209 PolarHBondContact O-N 3.24Å; N209-A212 PolarHBondContact O-N 3.2Å; N209-M213 WeakPolarHBondContact O-CB 3.42Å; N209-M213 PolarHBondContact O-N 3.4Å
210L98.9Very high98.2Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-61.3-44.3175-68.5172.6000111.8A193 I195 V205 S206 L207 A212 M213 Y214 M226 T257A193-L210 HydrophobicContact CB-CD2 4Å; I195-L210 HydrophobicContact CG2-CD1 4.3Å; I195-L210 HydrophobicContact CG2-CD2 4.28Å; V205-L210 HydrophobicContact CB-CD2 4.42Å; V205-L210 HydrophobicContact CB-CG 4.42Å; V205-L210 HydrophobicContact CG1-CD1 4.42Å; V205-L210 HydrophobicContact CG1-CD2 3.7Å; V205-L210 HydrophobicContact CG1-CG 3.73Å; S206-L210 WeakPolarHBondContact O-CG 3.45Å; S206-L210 PolarHBondContact O-N 3.03Å; S206-L210 VanDerWaalsContact O-N 3.08Å; L207-L210 PolarHBondContact O-N 2.93Å; L210-A212 PolarHBondContact O-N 3.17Å; L210-M213 HydrophobicContact CD2-CE 4.31Å; L210-M213 PolarHBondContact O-N 3.43Å; L210-Y214 VanDerWaalsContact O-CB 3.28Å; L210-Y214 WeakPolarHBondContact O-CB 3.49Å; L210-Y214 PolarHBondContact O-N 2.85Å; L210-M226 HydrophobicContact CD1-CE 4.26Å; L210-M226 HydrophobicContact CD2-CE 4.1Å; L210-M226 HydrophobicContact CD2-SD 4.3Å; L210-T257 HydrophobicContact CD1-CG2 3.63Å
211K98.8Very high98.4Very high113 Ų11332.7 Ų32.749%0.49117%0.173SC..Hα-helixtrans-60.6-43.3175.6180172.9-176.7176.50112.4L207 S215 Y260L207-K211 WeakPolarHBondContact O-CB 3.28Å; L207-K211 PolarHBondContact O-N 3.28Å; K211-S215 WeakPolarHBondContact O-CB 3.44Å; K211-S215 PolarHBondContact O-N 3.07Å; K211-S215 PolarHBondContact O-OG 3.28Å; K211-Y260 HydrophobicContact CB-CD1 3.93Å; K211-Y260 HydrophobicContact CB-CD2 4.47Å; K211-Y260 HydrophobicContact CB-CE1 3.8Å; K211-Y260 HydrophobicContact CB-CE2 4.37Å; K211-Y260 HydrophobicContact CB-CG 4.27Å; K211-Y260 HydrophobicContact CD-CE1 3.95Å; K211-Y260 HydrophobicContact CG-CD1 4.03Å; K211-Y260 HydrophobicContact CG-CE1 3.56Å
212A98.9Very high98.6Very high32 Ų3232.9 Ų32.926%0.26417%0.174SC..Hα-helixtrans-67.9-46.317800000112L173 A208 N209 L210 Y214 S215 I216L173-A212 HydrophobicContact CD1-CB 3.5Å; L173-A212 HydrophobicContact CD2-CB 3.98Å; L173-A212 HydrophobicContact CG-CB 4.41Å; A208-A212 WeakPolarHBondContact O-CB 3.42Å; A208-A212 PolarHBondContact O-N 3.49Å; N209-A212 PolarHBondContact O-N 3.2Å; L210-A212 PolarHBondContact O-N 3.17Å; A212-Y214 VanDerWaalsContact C-N 3.33Å; A212-Y214 PolarHBondContact O-N 3.19Å; A212-S215 WeakPolarHBondContact O-CB 3.44Å; A212-S215 PolarHBondContact O-N 2.65Å; A212-S215 VanDerWaalsContact O-N 3.11Å; A212-I216 PolarHBondContact O-N 2.88Å
213M98.8Very high98.7Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-58-46.1175.6176.6-80.4-59.300111.2F171 L173 L176 I191 A193 N209 L210 S215 I216 A217 V224F171-M213 HydrophobicContact CD1-CG 4.19Å; F171-M213 HydrophobicContact CD2-CB 4.12Å; F171-M213 HydrophobicContact CD2-CG 3.82Å; F171-M213 HydrophobicContact CE1-CG 4.17Å; F171-M213 HydrophobicContact CE2-CB 4.5Å; F171-M213 HydrophobicContact CE2-CE 4.09Å; F171-M213 HydrophobicContact CE2-CG 3.83Å; F171-M213 HydrophobicContact CE2-SD 4.47Å; F171-M213 HydrophobicContact CG-CB 4.39Å; F171-M213 HydrophobicContact CG-CG 4.01Å; F171-M213 HydrophobicContact CZ-CE 4.46Å; F171-M213 HydrophobicContact CZ-CG 4Å; F171-M213 HydrophobicContact CZ-SD 4.43Å; L173-M213 HydrophobicContact CD2-CB 3.97Å; L176-M213 HydrophobicContact CD2-CB 4.43Å; L176-M213 HydrophobicContact CD2-CG 3.64Å; I191-M213 HydrophobicContact CG2-SD 3.86Å; A193-M213 HydrophobicContact CB-CE 3.76Å; N209-M213 WeakPolarHBondContact O-CB 3.42Å; N209-M213 PolarHBondContact O-N 3.4Å; L210-M213 HydrophobicContact CD2-CE 4.31Å; L210-M213 PolarHBondContact O-N 3.43Å; M213-S215 VanDerWaalsContact C-N 3.29Å; M213-S215 PolarHBondContact O-N 3.41Å; M213-I216 WeakPolarHBondContact O-CB 3.27Å; M213-I216 PolarHBondContact O-N 3.47Å; M213-A217 PolarHBondContact O-N 2.9Å; M213-V224 HydrophobicContact CE-CG1 3.78Å; M213-V224 HydrophobicContact SD-CG1 4.13Å; M213-V224 HydrophobicContact SD-CG2 3.99Å
214Y98.9Very high98.7Very high30 Ų3033.5 Ų33.512%0.11818%0.178CC..Hα-helixtrans-63.7-35.7177.4-171.1-108.7000111.8L210 A212 A217 K218 V224 Y260 D262L210-Y214 VanDerWaalsContact O-CB 3.28Å; L210-Y214 WeakPolarHBondContact O-CB 3.49Å; L210-Y214 PolarHBondContact O-N 2.85Å; A212-Y214 VanDerWaalsContact C-N 3.33Å; A212-Y214 PolarHBondContact O-N 3.19Å; Y214-A217 PolarHBondContact O-N 3.4Å; Y214-K218 HydrophobicContact CD1-CG 4.04Å; Y214-K218 HydrophobicContact CE1-CD 4.04Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CD 4.27Å; Y214-K218 HydrophobicContact CE2-CG 4.48Å; Y214-K218 WeakPolarHBondContact O-CB 3.42Å; Y214-K218 VanDerWaalsContact O-CG 3.3Å; Y214-K218 WeakPolarHBondContact O-CG 3.16Å; Y214-K218 PolarHBondContact O-N 3.34Å; Y214-V224 HydrophobicContact CD2-CB 3.99Å; Y214-V224 HydrophobicContact CD2-CG1 4.4Å; Y214-V224 HydrophobicContact CD2-CG2 3.77Å; Y214-V224 HydrophobicContact CE2-CB 4.22Å; Y214-V224 HydrophobicContact CE2-CG2 4.25Å; Y214-Y260 HydrophobicContact CD1-CD1 4.17Å; Y214-Y260 WeakPolarHBondContact CD2-O 3.11Å; Y214-D262 PolarHBondContact OH-OD1 3.38Å
215S98.9Very high98.7Very high70 Ų7033.5 Ų33.549%0.4918%0.178SC..Hα-helixtrans-64.2-40.9175.3-57.80000112.1K211 A212 M213 K218 K219K211-S215 WeakPolarHBondContact O-CB 3.44Å; K211-S215 PolarHBondContact O-N 3.07Å; K211-S215 PolarHBondContact O-OG 3.28Å; A212-S215 WeakPolarHBondContact O-CB 3.44Å; A212-S215 PolarHBondContact O-N 2.65Å; A212-S215 VanDerWaalsContact O-N 3.11Å; M213-S215 VanDerWaalsContact C-N 3.29Å; M213-S215 PolarHBondContact O-N 3.41Å; S215-K218 PolarHBondContact O-N 3.24Å; S215-K219 PolarHBondContact O-N 3.24Å
216I98.9Very high98.7Very high19 Ų1933.5 Ų33.510%0.09718%0.178CC..Hα-helixtrans-62.3-48.2172.1-63.9168.4000109.8L173 E177 I180 A212 M213 K218 K219 Y220L173-I216 HydrophobicContact CB-CD1 4.03Å; L173-I216 HydrophobicContact CD2-CD1 4.02Å; E177-I216 HydrophobicContact CB-CD1 4.42Å; E177-I216 HydrophobicContact CB-CG2 4.17Å; E177-I216 HydrophobicContact CG-CG2 4.47Å; I180-I216 HydrophobicContact CD1-CG2 3.97Å; A212-I216 PolarHBondContact O-N 2.88Å; M213-I216 WeakPolarHBondContact O-CB 3.27Å; M213-I216 PolarHBondContact O-N 3.47Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.11Å; I216-K219 WeakPolarHBondContact O-CB 3.47Å; I216-K219 PolarHBondContact O-N 2.78Å; I216-K219 VanDerWaalsContact O-N 3.15Å; I216-Y220 HydrophobicContact CG2-CD2 4.07Å; I216-Y220 HydrophobicContact CG2-CE2 4.03Å; I216-Y220 VanDerWaalsContact O-CD2 3.27Å; I216-Y220 WeakPolarHBondContact O-CD2 3.31Å; I216-Y220 PolarHBondContact O-N 2.95Å
217A98.8Very high98.7Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-57.5-44.2178.700000111.9I191 M213 Y214 Y220 D221 I222 V224I191-A217 HydrophobicContact CD1-CB 3.79Å; M213-A217 PolarHBondContact O-N 2.9Å; Y214-A217 PolarHBondContact O-N 3.4Å; A217-Y220 CarbonylContact O-C 3.49Å; A217-Y220 PolarHBondContact O-N 2.7Å; A217-D221 PolarHBondContact O-N 2.91Å; A217-I222 PolarHBondContact O-N 3.31Å; A217-V224 HydrophobicContact CB-CG2 3.35Å
218K98.6Very high98.7Very high100 Ų10033.8 Ų33.844%0.43518%0.179SC..Hα-helixtrans-65.1-37.3176.2-68.1-55.9-64.9179.40113.1Y214 S215 I216 Y220 D221Y214-K218 HydrophobicContact CD1-CG 4.04Å; Y214-K218 HydrophobicContact CE1-CD 4.04Å; Y214-K218 HydrophobicContact CE1-CG 3.77Å; Y214-K218 HydrophobicContact CE2-CD 4.27Å; Y214-K218 HydrophobicContact CE2-CG 4.48Å; Y214-K218 WeakPolarHBondContact O-CB 3.42Å; Y214-K218 VanDerWaalsContact O-CG 3.3Å; Y214-K218 WeakPolarHBondContact O-CG 3.16Å; Y214-K218 PolarHBondContact O-N 3.34Å; S215-K218 PolarHBondContact O-N 3.24Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.11Å; K218-Y220 PolarHBondContact O-N 2.82Å; K218-D221 PolarHBondContact O-N 3.39Å
219K98.7Very high98.7Very high128 Ų12831.4 Ų31.456%0.55716%0.159SC*.Hα-helixtrans-55.9-37.4174.7174.1-175.1169.7-168.50111.9E177 S215 I216E177-K219 IonicContact OE1-NZ 2.66Å; E177-K219 PolarHBondContact OE1-NZ 2.77Å; S215-K219 PolarHBondContact O-N 3.24Å; I216-K219 WeakPolarHBondContact O-CB 3.47Å; I216-K219 PolarHBondContact O-N 2.78Å; I216-K219 VanDerWaalsContact O-N 3.15Å
220Y98.5Very high98.7Very high34 Ų3431.2 Ų31.213%0.13316%0.157CC..THydrogen-bonded Turntrans-102.37.5-178.6-64.2-69.8000114R117 E177 I180 E181 P185 I216 A217 K218 I222R117-Y220 PolarHBondContact NH2-O 3.04Å; E177-Y220 HydrophobicContact CG-CE2 4.01Å; E177-Y220 PolarHBondContact OE1-OH 3.19Å; I180-Y220 HydrophobicContact CD1-CD2 4.37Å; I180-Y220 HydrophobicContact CG2-CD1 4.16Å; I180-Y220 HydrophobicContact CG2-CD2 3.84Å; I180-Y220 HydrophobicContact CG2-CE2 4.25Å; I180-Y220 HydrophobicContact CG2-CG 3.8Å; E181-Y220 HydrophobicContact CG-CE1 4.36Å; E181-Y220 PolarHBondContact OE1-OH 2.84Å; P185-Y220 HydrophobicContact CB-CD1 4.03Å; P185-Y220 HydrophobicContact CB-CG 4.4Å; P185-Y220 HydrophobicContact CG-CD1 3.41Å; P185-Y220 VanDerWaalsContact CG-CD1 3.41Å; P185-Y220 HydrophobicContact CG-CE1 3.98Å; P185-Y220 HydrophobicContact CG-CG 4.15Å; I216-Y220 HydrophobicContact CG2-CD2 4.07Å; I216-Y220 HydrophobicContact CG2-CE2 4.03Å; I216-Y220 VanDerWaalsContact O-CD2 3.27Å; I216-Y220 WeakPolarHBondContact O-CD2 3.31Å; I216-Y220 PolarHBondContact O-N 2.95Å; A217-Y220 CarbonylContact O-C 3.49Å; A217-Y220 PolarHBondContact O-N 2.7Å; K218-Y220 PolarHBondContact O-N 2.82Å; Y220-I222 VanDerWaalsContact C-N 3.31Å; Y220-I222 PolarHBondContact O-N 3.4Å
221D98.1Very high98.7Very high79 Ų7931.4 Ų31.442%0.42216%0.158SC..THydrogen-bonded Turntrans53.543.3-177.7-170.138.9000113R117 K121 A217 K218R117-D221 PolarHBondContact NH1-O 3.32Å; R117-D221 PolarHBondContact NH2-O 3.23Å; K121-D221 WeakPolarHBondContact CE-OD2 3.21Å; K121-D221 IonicContact NZ-OD2 3.57Å; K121-D221 PolarHBondContact NZ-OD2 3.34Å; A217-D221 PolarHBondContact O-N 2.91Å; K218-D221 PolarHBondContact O-N 3.39Å
222I98.7Very high98.6Very high3 Ų326 Ų262%0.01514%0.135CC..  trans-101127-178.6-59.7167.2000109.3I180 V188 I191 A217 Y220I180-I222 HydrophobicContact CD1-CD1 3.89Å; I180-I222 HydrophobicContact CG1-CD1 4.01Å; I180-I222 HydrophobicContact CG2-CD1 3.75Å; V188-I222 HydrophobicContact CB-CD1 3.88Å; V188-I222 HydrophobicContact CB-CG1 4.31Å; V188-I222 HydrophobicContact CB-CG2 4.39Å; V188-I222 HydrophobicContact CG1-CD1 3.94Å; V188-I222 HydrophobicContact CG1-CG1 4.43Å; V188-I222 HydrophobicContact CG1-CG2 3.76Å; V188-I222 HydrophobicContact CG2-CD1 4.33Å; I191-I222 HydrophobicContact CD1-CB 4.27Å; I191-I222 HydrophobicContact CD1-CD1 4.45Å; I191-I222 HydrophobicContact CD1-CG2 3.89Å; I191-I222 HydrophobicContact CG1-CG2 3.87Å; A217-I222 PolarHBondContact O-N 3.31Å; Y220-I222 VanDerWaalsContact C-N 3.31Å; Y220-I222 PolarHBondContact O-N 3.4Å
223P98.6Very high98.6Very high13 Ų1324.5 Ų24.58%0.08412%0.122CC..  trans-61.5139.3175.1-23.433.5000113L113 P189 Y190 I191 D262 M263 F287L113-P223 HydrophobicContact CD2-CB 4.47Å; P189-P223 WeakPolarHBondContact O-CD 3.37Å; Y190-P223 CarbonylContact C-O 3.42Å; Y190-P223 VanDerWaalsContact CA-O 3.24Å; Y190-P223 WeakPolarHBondContact CA-O 3.03Å; I191-P223 PolarHBondContact N-O 3.07Å; P223-D262 WeakPolarHBondContact CA-OD2 3.25Å; P223-M263 HydrophobicContact CB-CE 3.72Å; P223-F287 HydrophobicContact CB-CE1 3.89Å; P223-F287 HydrophobicContact CB-CZ 4.14Å; P223-F287 HydrophobicContact CG-CE1 4Å; P223-F287 HydrophobicContact CG-CZ 4.35Å
224V98.9Very high98.6Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-110.3125.1174.9177.80000110.7I191 M213 Y214 A217 A261 D262 M263I191-V224 HydrophobicContact CB-CG2 4.44Å; I191-V224 WeakPolarHBondContact O-CA 3.25Å; M213-V224 HydrophobicContact CE-CG1 3.78Å; M213-V224 HydrophobicContact SD-CG1 4.13Å; M213-V224 HydrophobicContact SD-CG2 3.99Å; Y214-V224 HydrophobicContact CD2-CB 3.99Å; Y214-V224 HydrophobicContact CD2-CG1 4.4Å; Y214-V224 HydrophobicContact CD2-CG2 3.77Å; Y214-V224 HydrophobicContact CE2-CB 4.22Å; Y214-V224 HydrophobicContact CE2-CG2 4.25Å; A217-V224 HydrophobicContact CB-CG2 3.35Å; V224-A261 HydrophobicContact CB-CB 4.46Å; V224-A261 HydrophobicContact CG1-CB 3.88Å; V224-D262 PolarHBondContact N-OD2 3.11Å; V224-D262 PolarHBondContact O-N 2.95Å; V224-M263 PolarHBondContact O-N 2.96Å; V224-M263 VanDerWaalsContact O-N 3.08Å
225V98.9Very high98.6Very high1 Ų123.1 Ų23.11%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-107.2122.3172-1730000108.7Y109 L113 I191 V192 A193 M263 A265Y109-V225 HydrophobicContact CD2-CG2 4.17Å; Y109-V225 HydrophobicContact CE1-CG1 4.47Å; Y109-V225 HydrophobicContact CE2-CB 4.44Å; Y109-V225 HydrophobicContact CE2-CG1 4.18Å; Y109-V225 HydrophobicContact CE2-CG2 3.86Å; L113-V225 HydrophobicContact CD1-CG2 3.83Å; I191-V225 PolarHBondContact O-N 2.85Å; V192-V225 CarbonylContact C-O 3.31Å; V192-V225 VanDerWaalsContact CA-O 3.27Å; V192-V225 WeakPolarHBondContact CA-O 3.47Å; A193-V225 PolarHBondContact N-O 2.54Å; V225-M263 CarbonylContact C-O 3.54Å; V225-M263 WeakPolarHBondContact CA-O 3.39Å; V225-M263 HydrophobicContact CG1-CB 4.42Å; V225-M263 HydrophobicContact CG2-CB 4.2Å; V225-M263 HydrophobicContact CG2-CE 3.96Å; V225-M263 HydrophobicContact CG2-SD 4.49Å; V225-A265 HydrophobicContact CG1-CB 4.03Å
226M98.8Very high98.6Very high0 Ų021.2 Ų21.20%010%0.099CC..EExtended strand (participates in β ladder)trans-81.2123.4168.8-16472.968.400109.1A193 I195 L210 S228 T257 Y258 A261 M263 L264 A265A193-M226 HydrophobicContact CB-CE 4.39Å; A193-M226 HydrophobicContact CB-SD 3.67Å; A193-M226 CarbonylContact O-C 3.57Å; A193-M226 WeakPolarHBondContact O-CA 3.17Å; A193-M226 VanDerWaalsContact O-SD 3.35Å; I195-M226 HydrophobicContact CB-SD 4.33Å; I195-M226 HydrophobicContact CD1-CE 4.42Å; I195-M226 HydrophobicContact CD1-CG 3.68Å; I195-M226 HydrophobicContact CD1-SD 3.57Å; I195-M226 VanDerWaalsContact CD1-SD 3.57Å; I195-M226 HydrophobicContact CG1-CG 3.79Å; I195-M226 HydrophobicContact CG1-SD 3.66Å; I195-M226 HydrophobicContact CG2-SD 3.72Å; L210-M226 HydrophobicContact CD1-CE 4.26Å; L210-M226 HydrophobicContact CD2-CE 4.1Å; L210-M226 HydrophobicContact CD2-SD 4.3Å; M226-S228 PolarHBondContact O-N 3.23Å; M226-S228 PolarHBondContact O-OG 3.48Å; M226-T257 HydrophobicContact CE-CG2 4.22Å; M226-Y258 HydrophobicContact CB-CE1 4.17Å; M226-Y258 HydrophobicContact CG-CE1 4.07Å; M226-A261 HydrophobicContact CB-CB 3.92Å; M226-A261 HydrophobicContact CE-CB 3.97Å; M226-M263 PolarHBondContact N-O 3.37Å; M226-L264 HydrophobicContact CB-CB 4.35Å; M226-L264 WeakPolarHBondContact O-CA 3.29Å; M226-A265 PolarHBondContact O-N 2.63Å
227D98.7Very high98.6Very high16 Ų1620.5 Ų20.59%0.08610%0.095CC..EExtended strand (participates in β ladder)trans-81.3108.5160.6174.5-3.6000107.8V192 A193 T194 I195 A229 A265V192-D227 HydrophobicContact CG1-CB 4.11Å; A193-D227 PolarHBondContact O-N 3.15Å; T194-D227 HydrophobicContact CG2-CB 4.22Å; I195-D227 WeakPolarHBondContact CG1-O 3.29Å; I195-D227 PolarHBondContact N-O 3.27Å; D227-A229 PolarHBondContact OD1-N 3.42Å; D227-A265 WeakPolarHBondContact CA-O 3.33Å
228S98.5Very high98.6Very high0 Ų020.5 Ų20.50%010%0.095CC..  trans-103.510.5-162.6-68.50000113.4M226 R230 F231 Y258 L264 A265 M266M226-S228 PolarHBondContact O-N 3.23Å; M226-S228 PolarHBondContact O-OG 3.48Å; S228-R230 PolarHBondContact O-N 2.87Å; S228-F231 PolarHBondContact O-N 3.15Å; S228-Y258 WeakPolarHBondContact CB-OH 3.45Å; S228-Y258 VanDerWaalsContact OG-CE1 3.26Å; S228-Y258 WeakPolarHBondContact OG-CE1 3.29Å; S228-Y258 PolarHBondContact OG-OH 2.65Å; S228-L264 WeakPolarHBondContact OG-CB 3.34Å; S228-A265 PolarHBondContact N-O 3.17Å; S228-M266 WeakPolarHBondContact O-CE 3.41Å
229A98Very high98.6Very high9 Ų917.2 Ų17.27%0.0748%0.081CC..THydrogen-bonded Turntrans-53.5-32.7-176.100000113.2D227 K270 D271D227-A229 PolarHBondContact OD1-N 3.42Å; A229-K270 HydrophobicContact CB-CB 4.47Å; A229-K270 HydrophobicContact CB-CD 4.21Å; A229-K270 HydrophobicContact CB-CG 4.35Å; A229-K270 WeakPolarHBondContact O-CB 3.09Å; A229-D271 PolarHBondContact O-N 2.78Å
230R98.1Very high98.5Very high9 Ų916.4 Ų16.43%0.0348%0.08CC..THydrogen-bonded Turntrans-126.342.7-176.7-64.5-179-176.2110.4-7.4112.8D53 I195 N198 S228 E233 N234 K270 D271 H358D53-R230 IonicContact OD1-CZ 3.66Å; D53-R230 IonicContact OD1-NH2 3.72Å; D53-R230 PolarHBondContact OD1-NH2 2.84Å; D53-R230 IonicContact OD2-CZ 2.64Å; D53-R230 IonicContact OD2-NE 3.78Å; D53-R230 PolarHBondContact OD2-NE 2.89Å; D53-R230 IonicContact OD2-NH2 3.39Å; D53-R230 PolarHBondContact OD2-NH2 2.85Å; I195-R230 CarbonylContact O-C 3.56Å; I195-R230 WeakPolarHBondContact O-CA 3.24Å; I195-R230 PolarHBondContact O-N 3.4Å; N198-R230 PolarHBondContact OD1-NH1 3.35Å; S228-R230 PolarHBondContact O-N 2.87Å; R230-E233 HydrophobicContact CB-CB 4.32Å; R230-E233 WeakPolarHBondContact CD-OE2 3.49Å; R230-N234 PolarHBondContact O-N 3.41Å; R230-N234 VanDerWaalsContact O-N 3.09Å; R230-K270 HydrophobicContact CG-CB 4.21Å; R230-D271 WeakPolarHBondContact CA-OD2 3.47Å; R230-H358 WeakPolarHBondContact CD-ND1 3.47Å; R230-H358 VanDerWaalsContact CZ-CD2 3.45Å; R230-H358 VanDerWaalsContact CZ-CG 3.45Å; R230-H358 VanDerWaalsContact NE-CG 3.29Å; R230-H358 PolarHBondContact NE-ND1 3.35Å; R230-H358 PolarHBondContact NH2-CD2 3.48Å; R230-H358 VanDerWaalsContact NH2-CD2 3.29Å
231F98.6Very high98.5Very high3 Ų317.6 Ų17.61%0.0138%0.084CC..Hα-helixtrans-60.9-41.2-177.178.4-85.5000114.6I90 F91 I195 S228 N234 A235 T254 Y258 M266 D271 L322 M326I90-F231 HydrophobicContact CG2-CE2 4.23Å; F91-F231 HydrophobicContact CE1-CD1 4.37Å; F91-F231 AromaticContact CE1-CD2 3.75Å; F91-F231 HydrophobicContact CE1-CD2 3.75Å; F91-F231 AromaticContact CE1-CE2 3.92Å; F91-F231 HydrophobicContact CE1-CE2 3.92Å; F91-F231 AromaticContact CE1-CG 3.98Å; F91-F231 HydrophobicContact CE1-CG 3.98Å; F91-F231 HydrophobicContact CE1-CZ 4.31Å; F91-F231 HydrophobicContact CZ-CD1 4.3Å; F91-F231 HydrophobicContact CZ-CD2 4.22Å; F91-F231 HydrophobicContact CZ-CE1 4.11Å; F91-F231 HydrophobicContact CZ-CE2 4.02Å; F91-F231 HydrophobicContact CZ-CG 4.35Å; F91-F231 AromaticContact CZ-CZ 3.96Å; F91-F231 HydrophobicContact CZ-CZ 3.96Å; I195-F231 HydrophobicContact CD1-CB 4.32Å; S228-F231 PolarHBondContact O-N 3.15Å; F231-N234 PolarHBondContact O-N 2.86Å; F231-A235 WeakPolarHBondContact O-CB 3.36Å; F231-A235 PolarHBondContact O-N 2.89Å; F231-T254 HydrophobicContact CD2-CG2 3.58Å; F231-T254 HydrophobicContact CE2-CG2 3.87Å; F231-Y258 HydrophobicContact CB-CE2 4.12Å; F231-Y258 WeakPolarHBondContact CB-OH 3.39Å; F231-M266 HydrophobicContact CD1-CE 3.6Å; F231-M266 HydrophobicContact CE1-CE 3.93Å; F231-M266 HydrophobicContact CG-CE 4.38Å; F231-D271 HydrophobicContact CD1-CB 4Å; F231-D271 HydrophobicContact CE1-CB 3.84Å; F231-D271 PolarHBondContact N-OD2 3.44Å; F231-L322 HydrophobicContact CE1-CD2 4.22Å; F231-L322 HydrophobicContact CZ-CD2 4.43Å; F231-M326 HydrophobicContact CE2-CG 3.64Å; F231-M326 HydrophobicContact CE2-SD 3.87Å; F231-M326 HydrophobicContact CZ-CG 3.98Å
232A98.6Very high98.5Very high0 Ų015.2 Ų15.20%07%0.07CC..Hα-helixtrans-76.3-37.9-176.800000110.9N234 A235 Y236 I250 D271 G325 M326 L331A232-N234 VanDerWaalsContact C-N 3.32Å; A232-N234 PolarHBondContact O-N 3.36Å; A232-A235 PolarHBondContact O-N 3.2Å; A232-Y236 PolarHBondContact O-N 3.29Å; A232-I250 HydrophobicContact CB-CG2 4.45Å; A232-D271 WeakPolarHBondContact CA-OD2 3.49Å; A232-D271 HydrophobicContact CB-CB 4.31Å; A232-D271 WeakPolarHBondContact CB-OD2 3.47Å; A232-D271 PolarHBondContact N-OD2 3.39Å; A232-G325 VanDerWaalsContact CB-O 3.23Å; A232-G325 WeakPolarHBondContact CB-O 3.15Å; A232-M326 HydrophobicContact CB-CG 4.18Å; A232-L331 HydrophobicContact CB-CD1 4.29Å; A232-L331 HydrophobicContact CB-CD2 4.03Å
233E98.4Very high98.4Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-57.2-46.2168.3-74.4176.2-159.700110.8T196 R230 Y236 F237 D271 L331 R334 I335 G357 R424T196-E233 HydrophobicContact CG2-CB 4.38Å; R230-E233 HydrophobicContact CB-CB 4.32Å; R230-E233 WeakPolarHBondContact CD-OE2 3.49Å; E233-Y236 WeakPolarHBondContact O-CB 3.37Å; E233-Y236 PolarHBondContact O-N 3.41Å; E233-F237 WeakPolarHBondContact O-CD2 3.31Å; E233-F237 PolarHBondContact O-N 2.88Å; E233-F237 VanDerWaalsContact O-N 3.12Å; E233-D271 WeakPolarHBondContact CG-OD1 3.11Å; E233-D271 PolarHBondContact N-OD2 2.85Å; E233-L331 HydrophobicContact CG-CD2 4.34Å; E233-R334 IonicContact OE1-CZ 3.65Å; E233-R334 IonicContact OE1-NE 3.62Å; E233-R334 PolarHBondContact OE1-NE 2.97Å; E233-R334 IonicContact OE1-NH2 2.81Å; E233-R334 PolarHBondContact OE1-NH2 2.96Å; E233-I335 HydrophobicContact CG-CD1 4.39Å; E233-G357 WeakPolarHBondContact OE2-CA 3.15Å; E233-R424 IonicContact OE1-CZ 3Å; E233-R424 IonicContact OE1-NH2 2.85Å; E233-R424 PolarHBondContact OE1-NH2 3.38Å
234N98.8Very high98.4Very high1 Ų125.8 Ų25.81%0.00514%0.135CC..Hα-helixtrans-63.7-43.6178.6-160.484000112I195 T196 P204 V205 R230 F231 A232 Y236 F237 I238I195-N234 HydrophobicContact CB-CB 3.96Å; T196-N234 HydrophobicContact CG2-CB 3.96Å; P204-N234 VanDerWaalsContact CA-OD1 3.26Å; P204-N234 WeakPolarHBondContact CA-OD1 3.37Å; V205-N234 PolarHBondContact N-OD1 3.44Å; V205-N234 PolarHBondContact O-ND2 3.18Å; R230-N234 PolarHBondContact O-N 3.41Å; R230-N234 VanDerWaalsContact O-N 3.09Å; F231-N234 PolarHBondContact O-N 2.86Å; A232-N234 VanDerWaalsContact C-N 3.32Å; A232-N234 PolarHBondContact O-N 3.36Å; N234-Y236 VanDerWaalsContact C-N 3.28Å; N234-Y236 PolarHBondContact O-N 3.45Å; N234-F237 PolarHBondContact O-N 2.94Å; N234-F237 VanDerWaalsContact O-N 3.15Å; N234-I238 WeakPolarHBondContact ND2-CD1 3.29Å; N234-I238 PolarHBondContact O-N 2.95Å
235A98.8Very high98.3Very high1 Ų126.8 Ų26.81%0.00814%0.139CC..Hα-helixtrans-61.2-35.9175.700000112.4F231 A232 I238 K239 I250 I253F231-A235 WeakPolarHBondContact O-CB 3.36Å; F231-A235 PolarHBondContact O-N 2.89Å; A232-A235 PolarHBondContact O-N 3.2Å; A235-I238 PolarHBondContact O-N 3.32Å; A235-K239 PolarHBondContact O-N 2.71Å; A235-I250 HydrophobicContact CB-CG2 3.97Å; A235-I253 HydrophobicContact CB-CB 4.19Å; A235-I253 HydrophobicContact CB-CG2 3.75Å
236Y98.7Very high98.3Very high30 Ų3033.4 Ų33.412%0.11817%0.167CC..Hα-helixtrans-62.7-45172.5-178.1-96.7000111.8A232 E233 N234 I238 K239 Q240 I250 L328 L331 A332 I335A232-Y236 PolarHBondContact O-N 3.29Å; E233-Y236 WeakPolarHBondContact O-CB 3.37Å; E233-Y236 PolarHBondContact O-N 3.41Å; N234-Y236 VanDerWaalsContact C-N 3.28Å; N234-Y236 PolarHBondContact O-N 3.45Å; Y236-I238 PolarHBondContact O-N 3.39Å; Y236-K239 WeakPolarHBondContact O-CB 3.45Å; Y236-K239 PolarHBondContact O-N 3.06Å; Y236-Q240 HydrophobicContact CD1-CG 4.19Å; Y236-Q240 HydrophobicContact CE1-CG 3.81Å; Y236-Q240 HydrophobicContact CE2-CG 4.44Å; Y236-Q240 WeakPolarHBondContact O-CG 3.08Å; Y236-Q240 PolarHBondContact O-N 3.17Å; Y236-I250 HydrophobicContact CD2-CD1 4.26Å; Y236-L328 HydrophobicContact CD2-CD1 3.78Å; Y236-L328 HydrophobicContact CE2-CD1 3.73Å; Y236-L331 HydrophobicContact CD2-CB 3.69Å; Y236-L331 HydrophobicContact CE2-CB 4.28Å; Y236-L331 HydrophobicContact CG-CB 3.96Å; Y236-A332 HydrophobicContact CE2-CB 4.05Å; Y236-A332 WeakPolarHBondContact OH-CA 3.32Å; Y236-I335 HydrophobicContact CD1-CB 4.36Å; Y236-I335 HydrophobicContact CD1-CG1 3.64Å; Y236-I335 HydrophobicContact CE1-CB 3.98Å; Y236-I335 HydrophobicContact CE1-CG1 3.78Å; Y236-I335 HydrophobicContact CE1-CG2 4.14Å
237F98.7Very high98.2Very high3 Ų340.5 Ų40.51%0.01321%0.205CC..Hα-helixtrans-63.6-40.7176.1-71.9-63.6000113T196 P204 E233 N234 K239 Q240 R241 I335T196-F237 HydrophobicContact CG2-CD2 4.21Å; T196-F237 HydrophobicContact CG2-CE2 4.29Å; P204-F237 HydrophobicContact CB-CB 3.48Å; P204-F237 VanDerWaalsContact CB-CB 3.48Å; P204-F237 HydrophobicContact CB-CD2 3.58Å; P204-F237 HydrophobicContact CB-CE2 4.47Å; P204-F237 HydrophobicContact CB-CG 3.67Å; P204-F237 HydrophobicContact CG-CB 3.71Å; P204-F237 HydrophobicContact CG-CD1 4.16Å; P204-F237 HydrophobicContact CG-CD2 3.85Å; P204-F237 HydrophobicContact CG-CG 3.64Å; E233-F237 WeakPolarHBondContact O-CD2 3.31Å; E233-F237 PolarHBondContact O-N 2.88Å; E233-F237 VanDerWaalsContact O-N 3.12Å; N234-F237 PolarHBondContact O-N 2.94Å; N234-F237 VanDerWaalsContact O-N 3.15Å; F237-K239 VanDerWaalsContact C-N 3.34Å; F237-K239 PolarHBondContact O-N 3.22Å; F237-Q240 PolarHBondContact O-N 3.44Å; F237-R241 VanDerWaalsContact CD1-NH2 3.35Å; F237-R241 VanDerWaalsContact O-CB 3.32Å; F237-R241 WeakPolarHBondContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CG 3.36Å; F237-R241 PolarHBondContact O-N 3.37Å; F237-I335 HydrophobicContact CE1-CG2 3.89Å; F237-I335 HydrophobicContact CE2-CD1 3.94Å; F237-I335 HydrophobicContact CZ-CD1 3.68Å; F237-I335 HydrophobicContact CZ-CG1 4.17Å; F237-I335 HydrophobicContact CZ-CG2 3.98Å
238I98.8Very high98.2Very high0 Ų043.9 Ų43.90%022%0.217CC..Hα-helixtrans-56.8-48.9172.8-72165.2000110.1F167 L207 N234 A235 Y236 Q240 R241 E242 Y245 I253F167-I238 HydrophobicContact CE1-CG1 4.2Å; L207-I238 HydrophobicContact CB-CD1 4.15Å; L207-I238 HydrophobicContact CB-CG2 4.49Å; N234-I238 WeakPolarHBondContact ND2-CD1 3.29Å; N234-I238 PolarHBondContact O-N 2.95Å; A235-I238 PolarHBondContact O-N 3.32Å; Y236-I238 PolarHBondContact O-N 3.39Å; I238-Q240 PolarHBondContact O-N 3.42Å; I238-R241 PolarHBondContact O-N 2.82Å; I238-E242 HydrophobicContact CG2-CB 4.38Å; I238-E242 WeakPolarHBondContact CG2-OE2 3.39Å; I238-E242 WeakPolarHBondContact O-CB 3.04Å; I238-E242 PolarHBondContact O-N 3Å; I238-Y245 HydrophobicContact CG2-CD2 3.54Å; I238-Y245 HydrophobicContact CG2-CE2 4.43Å; I238-Y245 HydrophobicContact CG2-CG 4.01Å; I238-I253 HydrophobicContact CB-CG2 3.85Å; I238-I253 HydrophobicContact CD1-CG2 4.06Å; I238-I253 HydrophobicContact CG2-CD1 4.38Å; I238-I253 HydrophobicContact CG2-CG2 3.57Å
239K98.5Very high98.2Very high32 Ų3247.3 Ų47.314%0.13924%0.238CC..Hα-helixtrans-55.2-39.3176.7-172.5175.6172.159.10112.9A235 Y236 F237 K246 W248 I250 I253 L328A235-K239 PolarHBondContact O-N 2.71Å; Y236-K239 WeakPolarHBondContact O-CB 3.45Å; Y236-K239 PolarHBondContact O-N 3.06Å; F237-K239 VanDerWaalsContact C-N 3.34Å; F237-K239 PolarHBondContact O-N 3.22Å; K239-K246 PolarHBondContact NZ-O 2.66Å; K239-K246 WeakPolarHBondContact O-CA 3.42Å; K239-W248 PolarHBondContact NZ-O 3.46Å; K239-I250 HydrophobicContact CB-CD1 4.43Å; K239-I250 HydrophobicContact CD-CD1 3.98Å; K239-I253 HydrophobicContact CB-CD1 3.51Å; K239-I253 HydrophobicContact CG-CD1 4.08Å; K239-L328 HydrophobicContact CD-CD1 4.15Å
240Q97.5Very high98.3Very high111 Ų11147.2 Ų47.252%0.51924%0.236SC..Hα-helixtrans-81.3-34.6-176.9-64.2-57.6-28.600113.3Y236 F237 I238Y236-Q240 HydrophobicContact CD1-CG 4.19Å; Y236-Q240 HydrophobicContact CE1-CG 3.81Å; Y236-Q240 HydrophobicContact CE2-CG 4.44Å; Y236-Q240 WeakPolarHBondContact O-CG 3.08Å; Y236-Q240 PolarHBondContact O-N 3.17Å; F237-Q240 PolarHBondContact O-N 3.44Å; I238-Q240 PolarHBondContact O-N 3.42Å
241R97.6Very high98.3Very high59 Ų5950.8 Ų50.822%0.22325%0.253CS..Hα-helixtrans-112.6-18.2-164.6-59.3177.9-174.21751.8114D166 F167 P204 F237 I238D166-R241 HydrophobicContact CB-CB 4.34Å; D166-R241 VanDerWaalsContact O-CD 3.27Å; D166-R241 WeakPolarHBondContact O-CD 3.27Å; D166-R241 PolarHBondContact O-NH1 2.8Å; F167-R241 HydrophobicContact CE1-CB 4.39Å; F167-R241 HydrophobicContact CE2-CB 3.66Å; F167-R241 HydrophobicContact CZ-CB 3.49Å; F167-R241 VanDerWaalsContact CZ-CB 3.49Å; P204-R241 VanDerWaalsContact CG-NH1 3.29Å; F237-R241 VanDerWaalsContact CD1-NH2 3.35Å; F237-R241 VanDerWaalsContact O-CB 3.32Å; F237-R241 WeakPolarHBondContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CG 3.36Å; F237-R241 PolarHBondContact O-N 3.37Å; I238-R241 PolarHBondContact O-N 2.82Å
242E97.9Very high98.3Very high29 Ų2955.1 Ų55.114%0.13627%0.273CS..  trans-104.5111.9171.8-77.4-17713100110.5F167 S206 L207 A208 I238 E244 Y245F167-E242 HydrophobicContact CE2-CG 3.8Å; F167-E242 HydrophobicContact CZ-CG 3.72Å; S206-E242 WeakPolarHBondContact CB-OE1 3.34Å; L207-E242 VanDerWaalsContact CB-OE2 3.29Å; L207-E242 WeakPolarHBondContact CB-OE2 3.43Å; L207-E242 PolarHBondContact N-OE1 2.93Å; L207-E242 PolarHBondContact N-OE2 3.14Å; A208-E242 PolarHBondContact N-OE1 3.4Å; I238-E242 HydrophobicContact CG2-CB 4.38Å; I238-E242 WeakPolarHBondContact CG2-OE2 3.39Å; I238-E242 WeakPolarHBondContact O-CB 3.04Å; I238-E242 PolarHBondContact O-N 3Å; E242-E244 PolarHBondContact O-N 3.39Å; E242-E244 VanDerWaalsContact O-N 3.14Å; E242-Y245 HydrophobicContact CB-CD2 3.69Å; E242-Y245 HydrophobicContact CB-CE2 4.22Å; E242-Y245 PolarHBondContact O-N 2.92Å
243A97.3Very high98.3Very high96 Ų9655.1 Ų55.179%0.79327%0.273SS*.G310 helixtrans-57.2-32.6-173.700000114Y245 K246A243-Y245 PolarHBondContact O-N 2.8Å; A243-K246 PolarHBondContact O-N 3.21Å
244E97.6Very high98.3Very high141 Ų14155.1 Ų55.166%0.65927%0.273SS*.G310 helixtrans-62.4-28.4179.1-170.1-178.114300113E242E242-E244 PolarHBondContact O-N 3.39Å; E242-E244 VanDerWaalsContact O-N 3.14Å
245Y98.2Very high98.3Very high22 Ų2260.2 Ų60.29%0.08629%0.292CS..G310 helixtrans-108.47.3-174.1-50.9-58.8000113.3L207 I238 E242 A243 D247 W248L207-Y245 HydrophobicContact CB-CE2 4.02Å; L207-Y245 HydrophobicContact CD2-CD2 4.25Å; L207-Y245 HydrophobicContact CD2-CE1 3.95Å; L207-Y245 HydrophobicContact CD2-CE2 3.54Å; L207-Y245 VanDerWaalsContact CD2-CZ 3.4Å; L207-Y245 HydrophobicContact CG-CE2 4.36Å; I238-Y245 HydrophobicContact CG2-CD2 3.54Å; I238-Y245 HydrophobicContact CG2-CE2 4.43Å; I238-Y245 HydrophobicContact CG2-CG 4.01Å; E242-Y245 HydrophobicContact CB-CD2 3.69Å; E242-Y245 HydrophobicContact CB-CE2 4.22Å; E242-Y245 PolarHBondContact O-N 2.92Å; A243-Y245 PolarHBondContact O-N 2.8Å; Y245-D247 PolarHBondContact O-N 2.9Å; Y245-D247 VanDerWaalsContact O-N 3.14Å; Y245-W248 AromaticContact CD1-CD2 3.97Å; Y245-W248 HydrophobicContact CD1-CD2 3.97Å; Y245-W248 HydrophobicContact CD1-CE3 4.22Å; Y245-W248 HydrophobicContact CD1-CG 4.32Å; Y245-W248 HydrophobicContact CD1-CZ2 4.42Å; Y245-W248 HydrophobicContact CE1-CZ2 4.47Å; Y245-W248 WeakPolarHBondContact O-CB 3.41Å; Y245-W248 PolarHBondContact O-N 3.26Å
246K97.6Very high98.3Very high139 Ų13961.4 Ų61.460%0.60430%0.298SS*.THydrogen-bonded Turntrans-54.1-37.8-177.2-174.9-179.6177.3-177.60112.8K239 A243K239-K246 PolarHBondContact NZ-O 2.66Å; K239-K246 WeakPolarHBondContact O-CA 3.42Å; A243-K246 PolarHBondContact O-N 3.21Å
247D98.1Very high98.3Very high149 Ų14960.1 Ų60.180%0.79729%0.293SS*.THydrogen-bonded Turntrans-95.6-1.2-177.3-61.3-39.2000113.8Y245Y245-D247 PolarHBondContact O-N 2.9Å; Y245-D247 VanDerWaalsContact O-N 3.14Å
248W98.6Very high98.3Very high88 Ų8860.1 Ų60.133%0.33329%0.293SS..SBendtrans-79.1151.7178.8-72.340.4000111.5K239 Y245 Q252 I253 E256K239-W248 PolarHBondContact NZ-O 3.46Å; Y245-W248 AromaticContact CD1-CD2 3.97Å; Y245-W248 HydrophobicContact CD1-CD2 3.97Å; Y245-W248 HydrophobicContact CD1-CE3 4.22Å; Y245-W248 HydrophobicContact CD1-CG 4.32Å; Y245-W248 HydrophobicContact CD1-CZ2 4.42Å; Y245-W248 HydrophobicContact CE1-CZ2 4.47Å; Y245-W248 WeakPolarHBondContact O-CB 3.41Å; Y245-W248 PolarHBondContact O-N 3.26Å; W248-Q252 HydrophobicContact CB-CB 4.28Å; W248-Q252 HydrophobicContact CD2-CB 4.28Å; W248-Q252 HydrophobicContact CE3-CB 3.6Å; W248-Q252 HydrophobicContact CZ3-CB 4.26Å; W248-I253 HydrophobicContact CB-CD1 4.04Å; W248-I253 HydrophobicContact CB-CG1 3.69Å; W248-I253 HydrophobicContact CE3-CG1 4.39Å; W248-E256 HydrophobicContact CZ3-CB 3.95Å; W248-E256 HydrophobicContact CZ3-CG 4.29Å
249T98.6Very high98.3Very high71 Ų7164.9 Ų64.944%0.43631%0.314SS..  trans-74.4159.4170.2730000110.7E251 Q252 I253T249-E251 PolarHBondContact O-N 3.43Å; T249-Q252 PolarHBondContact O-N 2.97Å; T249-Q252 VanDerWaalsContact O-N 3.16Å; T249-Q252 VanDerWaalsContact OG1-CG 3.32Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.19Å; T249-Q252 PolarHBondContact OG1-N 3.22Å; T249-Q252 VanDerWaalsContact OG1-N 3.09Å; T249-Q252 PolarHBondContact OG1-OE1 2.92Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å
250I98.7Very high98.3Very high7 Ų764.8 Ų64.84%0.03631%0.313CS..Hα-helixtrans-58-38.3174.4-60-60.5000111A232 A235 Y236 K239 I253 T254 M326 L328 L331A232-I250 HydrophobicContact CB-CG2 4.45Å; A235-I250 HydrophobicContact CB-CG2 3.97Å; Y236-I250 HydrophobicContact CD2-CD1 4.26Å; K239-I250 HydrophobicContact CB-CD1 4.43Å; K239-I250 HydrophobicContact CD-CD1 3.98Å; I250-I253 PolarHBondContact O-N 3.42Å; I250-T254 VanDerWaalsContact O-CB 3.26Å; I250-T254 WeakPolarHBondContact O-CB 3.46Å; I250-T254 PolarHBondContact O-N 3.34Å; I250-T254 PolarHBondContact O-OG1 3.42Å; I250-M326 HydrophobicContact CB-CB 4.35Å; I250-M326 HydrophobicContact CG2-CB 3.8Å; I250-M326 HydrophobicContact CG2-CG 3.98Å; I250-M326 HydrophobicContact CG2-SD 4.5Å; I250-L328 HydrophobicContact CD1-CD1 4.21Å; I250-L328 HydrophobicContact CG1-CD1 4.22Å; I250-L331 HydrophobicContact CB-CD1 4.45Å; I250-L331 HydrophobicContact CD1-CD1 4.1Å; I250-L331 HydrophobicContact CG1-CD1 3.86Å; I250-L331 HydrophobicContact CG2-CD1 3.9Å
251E98.5Very high98.4Very high84 Ų8459.5 Ų59.539%0.39329%0.288SS..Hα-helixtrans-63.9-43.6175.8-175.5177.7-175.200112.1T249 T254 R255 M326T249-E251 PolarHBondContact O-N 3.43Å; E251-T254 WeakPolarHBondContact O-CB 3.39Å; E251-T254 PolarHBondContact O-N 2.94Å; E251-R255 WeakPolarHBondContact O-CB 3.33Å; E251-R255 PolarHBondContact O-N 2.71Å; E251-M326 HydrophobicContact CB-CE 4.17Å; E251-M326 HydrophobicContact CB-SD 4.14Å; E251-M326 HydrophobicContact CG-CE 4.17Å; E251-M326 HydrophobicContact CG-SD 4.47Å
252Q98.7Very high98.5Very high94 Ų9456.9 Ų56.944%0.43928%0.278SS..Hα-helixtrans-64.3-44.2177.2-72.5171.3-40.600111.9W248 T249 T254 R255 E256W248-Q252 HydrophobicContact CB-CB 4.28Å; W248-Q252 HydrophobicContact CD2-CB 4.28Å; W248-Q252 HydrophobicContact CE3-CB 3.6Å; W248-Q252 HydrophobicContact CZ3-CB 4.26Å; T249-Q252 PolarHBondContact O-N 2.97Å; T249-Q252 VanDerWaalsContact O-N 3.16Å; T249-Q252 VanDerWaalsContact OG1-CG 3.32Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.19Å; T249-Q252 PolarHBondContact OG1-N 3.22Å; T249-Q252 VanDerWaalsContact OG1-N 3.09Å; T249-Q252 PolarHBondContact OG1-OE1 2.92Å; Q252-T254 VanDerWaalsContact C-N 3.33Å; Q252-R255 PolarHBondContact O-N 3.21Å; Q252-E256 WeakPolarHBondContact O-CB 3.35Å; Q252-E256 PolarHBondContact O-N 2.87Å
253I98.9Very high98.5Very high0 Ų055.5 Ų55.50%027%0.272CS..Hα-helixtrans-64.4-41.6177-66168.7000110.6A235 I238 K239 W248 T249 I250 E256 T257A235-I253 HydrophobicContact CB-CB 4.19Å; A235-I253 HydrophobicContact CB-CG2 3.75Å; I238-I253 HydrophobicContact CB-CG2 3.85Å; I238-I253 HydrophobicContact CD1-CG2 4.06Å; I238-I253 HydrophobicContact CG2-CD1 4.38Å; I238-I253 HydrophobicContact CG2-CG2 3.57Å; K239-I253 HydrophobicContact CB-CD1 3.51Å; K239-I253 HydrophobicContact CG-CD1 4.08Å; W248-I253 HydrophobicContact CB-CD1 4.04Å; W248-I253 HydrophobicContact CB-CG1 3.69Å; W248-I253 HydrophobicContact CE3-CG1 4.39Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å; I250-I253 PolarHBondContact O-N 3.42Å; I253-E256 PolarHBondContact O-N 3.02Å; I253-T257 WeakPolarHBondContact O-CB 3.41Å; I253-T257 PolarHBondContact O-N 3.21Å; I253-T257 PolarHBondContact O-OG1 3.24Å
254T98.8Very high98.6Very high1 Ų150.9 Ų50.91%0.00623%0.234CC..Hα-helixtrans-58.1-55.7173.5-62.10000109.4I90 F91 F231 I250 E251 Q252 E256 T257 Y258I90-T254 HydrophobicContact CG2-CG2 3.8Å; F91-T254 HydrophobicContact CD1-CG2 3.91Å; F91-T254 HydrophobicContact CE1-CG2 3.83Å; F231-T254 HydrophobicContact CD2-CG2 3.58Å; F231-T254 HydrophobicContact CE2-CG2 3.87Å; I250-T254 VanDerWaalsContact O-CB 3.26Å; I250-T254 WeakPolarHBondContact O-CB 3.46Å; I250-T254 PolarHBondContact O-N 3.34Å; I250-T254 PolarHBondContact O-OG1 3.42Å; E251-T254 WeakPolarHBondContact O-CB 3.39Å; E251-T254 PolarHBondContact O-N 2.94Å; Q252-T254 VanDerWaalsContact C-N 3.33Å; T254-E256 PolarHBondContact O-N 2.98Å; T254-E256 VanDerWaalsContact O-N 3.17Å; T254-T257 WeakPolarHBondContact O-CB 3.22Å; T254-T257 PolarHBondContact O-N 3.26Å; T254-Y258 HydrophobicContact CG2-CD2 3.91Å; T254-Y258 HydrophobicContact CG2-CE2 3.82Å; T254-Y258 VanDerWaalsContact O-CD2 3.26Å; T254-Y258 WeakPolarHBondContact O-CD2 3.48Å; T254-Y258 PolarHBondContact O-N 2.68Å; T254-Y258 VanDerWaalsContact O-N 3.11Å
255R98.7Very high98.6Very high107 Ų10744.6 Ų44.640%0.40421%0.206SC..Hα-helixtrans-54.9-39.7180-175.460.9172.6-132.58.7113.2K88 N89 E251 Q252K88-R255 PolarHBondContact O-NH1 3.23Å; N89-R255 PolarHBondContact O-NH1 3.35Å; E251-R255 WeakPolarHBondContact O-CB 3.33Å; E251-R255 PolarHBondContact O-N 2.71Å; Q252-R255 PolarHBondContact O-N 3.21Å
256E98.8Very high98.6Very high27 Ų2743.6 Ų43.613%0.12620%0.202CC..Hα-helixtrans-68.2-45.1175.9-173.962-149.300112L207 W248 Q252 I253 T254 Y258 K259 Y260L207-E256 HydrophobicContact CD1-CG 4.48Å; L207-E256 HydrophobicContact CD2-CB 4.37Å; L207-E256 HydrophobicContact CD2-CG 3.57Å; W248-E256 HydrophobicContact CZ3-CB 3.95Å; W248-E256 HydrophobicContact CZ3-CG 4.29Å; Q252-E256 WeakPolarHBondContact O-CB 3.35Å; Q252-E256 PolarHBondContact O-N 2.87Å; I253-E256 PolarHBondContact O-N 3.02Å; T254-E256 PolarHBondContact O-N 2.98Å; T254-E256 VanDerWaalsContact O-N 3.17Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 2.97Å; E256-K259 VanDerWaalsContact O-CB 3.29Å; E256-K259 WeakPolarHBondContact O-CB 3.4Å; E256-K259 WeakPolarHBondContact O-CG 3.22Å; E256-K259 PolarHBondContact O-N 3.17Å; E256-K259 VanDerWaalsContact O-N 3.08Å; E256-K259 IonicContact OE1-NZ 2.62Å; E256-K259 VanDerWaalsContact OE2-CE 3.22Å; E256-K259 WeakPolarHBondContact OE2-CE 3.37Å; E256-K259 IonicContact OE2-NZ 2.72Å; E256-K259 PolarHBondContact OE2-NZ 3.21Å; E256-Y260 HydrophobicContact CG-CE2 4.34Å; E256-Y260 WeakPolarHBondContact O-CD2 3.2Å; E256-Y260 VanDerWaalsContact O-CE2 3.28Å; E256-Y260 WeakPolarHBondContact O-CE2 3.26Å; E256-Y260 PolarHBondContact OE1-OH 2.86Å
257T98.9Very high98.6Very high3 Ų337.5 Ų37.52%0.01818%0.177CC..Hα-helixtrans-53.6-44.6178.1-62.70000112.1I195 L207 L210 M226 I253 T254 K259 Y260I195-T257 HydrophobicContact CD1-CG2 4.07Å; L207-T257 VanDerWaalsContact CD1-CA 3.48Å; L210-T257 HydrophobicContact CD1-CG2 3.63Å; M226-T257 HydrophobicContact CE-CG2 4.22Å; I253-T257 WeakPolarHBondContact O-CB 3.41Å; I253-T257 PolarHBondContact O-N 3.21Å; I253-T257 PolarHBondContact O-OG1 3.24Å; T254-T257 WeakPolarHBondContact O-CB 3.22Å; T254-T257 PolarHBondContact O-N 3.26Å; T257-K259 PolarHBondContact O-N 3.48Å; T257-Y260 WeakPolarHBondContact O-CD2 3.3Å; T257-Y260 PolarHBondContact O-N 3.25Å; T257-Y260 VanDerWaalsContact O-N 3.13Å
258Y98.8Very high98.6Very high3 Ų330.4 Ų30.41%0.01214%0.139CC..G310 helixtrans-76.4-2.8-176.5-78.8-93.7000114.2F91 Y93 M226 S228 F231 T254 E256 Y260 L264F91-Y258 HydrophobicContact CB-CD1 4.28Å; F91-Y258 HydrophobicContact CB-CG 4.21Å; F91-Y258 AromaticContact CD1-CD1 3.92Å; F91-Y258 HydrophobicContact CD1-CD1 3.92Å; F91-Y258 AromaticContact CD1-CD2 3.57Å; F91-Y258 HydrophobicContact CD1-CD2 3.57Å; F91-Y258 AromaticContact CD1-CE1 3.74Å; F91-Y258 HydrophobicContact CD1-CE1 3.74Å; F91-Y258 AromaticContact CD1-CE2 3.39Å; F91-Y258 HydrophobicContact CD1-CE2 3.39Å; F91-Y258 AromaticContact CD1-CG 3.81Å; F91-Y258 HydrophobicContact CD1-CG 3.81Å; F91-Y258 AromaticContact CD1-CZ 3.45Å; F91-Y258 VanDerWaalsContact CD1-CZ 3.45Å; F91-Y258 HydrophobicContact CE1-CD2 4.25Å; F91-Y258 HydrophobicContact CE1-CE1 4.23Å; F91-Y258 AromaticContact CE1-CE2 3.62Å; F91-Y258 HydrophobicContact CE1-CE2 3.62Å; F91-Y258 AromaticContact CE1-CZ 3.58Å; F91-Y258 HydrophobicContact CG-CD1 4.44Å; F91-Y258 HydrophobicContact CG-CE1 4.47Å; F91-Y258 HydrophobicContact CG-CG 4.47Å; F91-Y258 WeakPolarHBondContact O-CB 3.47Å; Y93-Y258 HydrophobicContact CE1-CD1 4.1Å; Y93-Y258 HydrophobicContact CE1-CG 4.43Å; Y93-Y258 WeakPolarHBondContact CE1-O 3.42Å; Y93-Y258 AromaticContact CZ-CD1 3.92Å; Y93-Y258 PolarHBondContact OH-O 3.32Å; M226-Y258 HydrophobicContact CB-CE1 4.17Å; M226-Y258 HydrophobicContact CG-CE1 4.07Å; S228-Y258 WeakPolarHBondContact CB-OH 3.45Å; S228-Y258 VanDerWaalsContact OG-CE1 3.26Å; S228-Y258 WeakPolarHBondContact OG-CE1 3.29Å; S228-Y258 PolarHBondContact OG-OH 2.65Å; F231-Y258 HydrophobicContact CB-CE2 4.12Å; F231-Y258 WeakPolarHBondContact CB-OH 3.39Å; T254-Y258 HydrophobicContact CG2-CD2 3.91Å; T254-Y258 HydrophobicContact CG2-CE2 3.82Å; T254-Y258 VanDerWaalsContact O-CD2 3.26Å; T254-Y258 WeakPolarHBondContact O-CD2 3.48Å; T254-Y258 PolarHBondContact O-N 2.68Å; T254-Y258 VanDerWaalsContact O-N 3.11Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 2.97Å; Y258-Y260 PolarHBondContact O-N 2.94Å; Y258-L264 HydrophobicContact CD1-CB 4.26Å; Y258-L264 HydrophobicContact CD1-CD2 3.8Å; Y258-L264 HydrophobicContact CE1-CB 3.73Å; Y258-L264 HydrophobicContact CE1-CD2 3.57Å; Y258-L264 HydrophobicContact CE1-CG 4.25Å
259K98.7Very high98.6Very high99 Ų9927.4 Ų27.443%0.4313%0.129SC..G310 helixtrans-64.8-23.4165.1-65.2-179.9-179171.10112.1E256 T257 K283E256-K259 VanDerWaalsContact O-CB 3.29Å; E256-K259 WeakPolarHBondContact O-CB 3.4Å; E256-K259 WeakPolarHBondContact O-CG 3.22Å; E256-K259 PolarHBondContact O-N 3.17Å; E256-K259 VanDerWaalsContact O-N 3.08Å; E256-K259 IonicContact OE1-NZ 2.62Å; E256-K259 VanDerWaalsContact OE2-CE 3.22Å; E256-K259 WeakPolarHBondContact OE2-CE 3.37Å; E256-K259 IonicContact OE2-NZ 2.72Å; E256-K259 PolarHBondContact OE2-NZ 3.21Å; T257-K259 PolarHBondContact O-N 3.48Å; K259-K283 PolarHBondContact O-NZ 3.07Å
260Y98.8Very high98.5Very high30 Ų3024.7 Ų24.712%0.11811%0.111CC..G310 helixtrans-104.230-171.9-49.3-67.8000113.5L207 K211 Y214 E256 T257 Y258L207-Y260 HydrophobicContact CD1-CD2 3.76Å; L207-Y260 HydrophobicContact CD1-CE2 3.71Å; L207-Y260 HydrophobicContact CG-CE2 4.19Å; K211-Y260 HydrophobicContact CB-CD1 3.93Å; K211-Y260 HydrophobicContact CB-CD2 4.47Å; K211-Y260 HydrophobicContact CB-CE1 3.8Å; K211-Y260 HydrophobicContact CB-CE2 4.37Å; K211-Y260 HydrophobicContact CB-CG 4.27Å; K211-Y260 HydrophobicContact CD-CE1 3.95Å; K211-Y260 HydrophobicContact CG-CD1 4.03Å; K211-Y260 HydrophobicContact CG-CE1 3.56Å; Y214-Y260 HydrophobicContact CD1-CD1 4.17Å; Y214-Y260 WeakPolarHBondContact CD2-O 3.11Å; E256-Y260 HydrophobicContact CG-CE2 4.34Å; E256-Y260 WeakPolarHBondContact O-CD2 3.2Å; E256-Y260 VanDerWaalsContact O-CE2 3.28Å; E256-Y260 WeakPolarHBondContact O-CE2 3.26Å; E256-Y260 PolarHBondContact OE1-OH 2.86Å; T257-Y260 WeakPolarHBondContact O-CD2 3.3Å; T257-Y260 PolarHBondContact O-N 3.25Å; T257-Y260 VanDerWaalsContact O-N 3.13Å; Y258-Y260 PolarHBondContact O-N 2.94Å
261A98.8Very high98.4Very high0 Ų024.5 Ų24.50%011%0.11CC..  trans-146.7156.9164.400000109.6Y93 V224 M226 K283Y93-A261 VanDerWaalsContact OH-C 3.29Å; Y93-A261 WeakPolarHBondContact OH-CB 3.31Å; Y93-A261 PolarHBondContact OH-O 3.36Å; V224-A261 HydrophobicContact CB-CB 4.46Å; V224-A261 HydrophobicContact CG1-CB 3.88Å; M226-A261 HydrophobicContact CB-CB 3.92Å; M226-A261 HydrophobicContact CE-CB 3.97Å; A261-K283 WeakPolarHBondContact O-CD 3.06Å
262D98.8Very high98.4Very high4 Ų420.5 Ų20.52%0.0219%0.091CC..SBendtrans-91.7-31.1177.5-59.7-63000111.7Y214 P223 V224 K283 F287Y214-D262 PolarHBondContact OH-OD1 3.38Å; P223-D262 WeakPolarHBondContact CA-OD2 3.25Å; V224-D262 PolarHBondContact N-OD2 3.11Å; V224-D262 PolarHBondContact O-N 2.95Å; D262-K283 VanDerWaalsContact O-CB 3.27Å; D262-K283 WeakPolarHBondContact O-CB 3.37Å; D262-K283 PolarHBondContact O-N 3.17Å; D262-F287 HydrophobicContact CB-CD2 3.92Å; D262-F287 HydrophobicContact CB-CE1 4.27Å; D262-F287 HydrophobicContact CB-CE2 3.37Å; D262-F287 HydrophobicContact CB-CZ 3.57Å; D262-F287 VanDerWaalsContact CG-CE2 3.4Å; D262-F287 WeakPolarHBondContact OD1-CE2 3.43Å
263M98.8Very high98.2Very high0 Ų016.7 Ų16.70%07%0.073CC..EExtended strand (participates in β ladder)trans-138.1157.4-178.3-71.1164.1-77.500110.4L113 P223 V224 V225 M226 C281 M282 F287 V290L113-M263 HydrophobicContact CD1-CE 3.65Å; L113-M263 HydrophobicContact CD1-SD 4.07Å; L113-M263 HydrophobicContact CD2-CE 3.66Å; L113-M263 HydrophobicContact CD2-SD 3.93Å; L113-M263 HydrophobicContact CG-CE 4.27Å; L113-M263 HydrophobicContact CG-SD 4.4Å; P223-M263 HydrophobicContact CB-CE 3.72Å; V224-M263 PolarHBondContact O-N 2.96Å; V224-M263 VanDerWaalsContact O-N 3.08Å; V225-M263 CarbonylContact C-O 3.54Å; V225-M263 WeakPolarHBondContact CA-O 3.39Å; V225-M263 HydrophobicContact CG1-CB 4.42Å; V225-M263 HydrophobicContact CG2-CB 4.2Å; V225-M263 HydrophobicContact CG2-CE 3.96Å; V225-M263 HydrophobicContact CG2-SD 4.49Å; M226-M263 PolarHBondContact N-O 3.37Å; M263-C281 CarbonylContact C-O 3.51Å; M263-C281 VanDerWaalsContact CA-O 3.22Å; M263-C281 WeakPolarHBondContact CA-O 3.32Å; M263-M282 HydrophobicContact CG-CB 4.47Å; M263-M282 HydrophobicContact CG-CG 3.99Å; M263-F287 HydrophobicContact CE-CD1 4.01Å; M263-F287 HydrophobicContact CE-CE1 3.87Å; M263-F287 HydrophobicContact SD-CD1 4.39Å; M263-V290 HydrophobicContact SD-CG1 4.02Å
264L98.7Very high98.1Very high0 Ų016.7 Ų16.70%07%0.073CC..EExtended strand (participates in β ladder)trans-128140.8168.472.387.5000109.4F91 Y93 M226 S228 Y258 M266 L279 L280 C281F91-L264 HydrophobicContact CB-CD2 3.9Å; F91-L264 HydrophobicContact CD1-CD2 4.17Å; F91-L264 HydrophobicContact CD2-CD2 4.08Å; F91-L264 HydrophobicContact CG-CD2 3.76Å; Y93-L264 HydrophobicContact CD2-CD2 3.65Å; Y93-L264 HydrophobicContact CD2-CG 4.01Å; Y93-L264 HydrophobicContact CE2-CB 3.98Å; Y93-L264 HydrophobicContact CE2-CD2 3.76Å; Y93-L264 HydrophobicContact CE2-CG 3.97Å; Y93-L264 HydrophobicContact CG-CD2 4.1Å; M226-L264 HydrophobicContact CB-CB 4.35Å; M226-L264 WeakPolarHBondContact O-CA 3.29Å; S228-L264 WeakPolarHBondContact OG-CB 3.34Å; Y258-L264 HydrophobicContact CD1-CB 4.26Å; Y258-L264 HydrophobicContact CD1-CD2 3.8Å; Y258-L264 HydrophobicContact CE1-CB 3.73Å; Y258-L264 HydrophobicContact CE1-CD2 3.57Å; Y258-L264 HydrophobicContact CE1-CG 4.25Å; L264-M266 HydrophobicContact CD1-CB 4.33Å; L264-L279 HydrophobicContact CD1-CB 4.14Å; L264-L280 WeakPolarHBondContact O-CA 3.33Å; L264-C281 HydrophobicContact CD1-CB 4.12Å; L264-C281 HydrophobicContact CD2-CB 4.09Å; L264-C281 HydrophobicContact CG-CB 3.79Å; L264-C281 PolarHBondContact N-O 3.26Å; L264-C281 PolarHBondContact O-N 2.98Å
265A98.7Very high98Very high8 Ų819 Ų197%0.0669%0.088CC..EExtended strand (participates in β ladder)trans-122.3132.4168.700000107.7A105 Y109 V225 M226 D227 S228 L279A105-A265 HydrophobicContact CB-CB 4.19Å; Y109-A265 HydrophobicContact CD1-CB 4.18Å; Y109-A265 HydrophobicContact CE1-CB 3.66Å; V225-A265 HydrophobicContact CG1-CB 4.03Å; M226-A265 PolarHBondContact O-N 2.63Å; D227-A265 WeakPolarHBondContact CA-O 3.33Å; S228-A265 PolarHBondContact N-O 3.17Å; A265-L279 CarbonylContact C-O 3.58Å; A265-L279 WeakPolarHBondContact CA-O 3.48Å
266M98Very high97.9Very high1 Ų117.6 Ų17.61%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-139.5130.8-172.9-170.4-170.8-73.400110.9F91 S228 F231 L264 A268 G278 L279 L322F91-M266 HydrophobicContact CE1-CE 4.18Å; F91-M266 HydrophobicContact CE2-CE 4.26Å; F91-M266 HydrophobicContact CZ-CE 3.61Å; S228-M266 WeakPolarHBondContact O-CE 3.41Å; F231-M266 HydrophobicContact CD1-CE 3.6Å; F231-M266 HydrophobicContact CE1-CE 3.93Å; F231-M266 HydrophobicContact CG-CE 4.38Å; L264-M266 HydrophobicContact CD1-CB 4.33Å; M266-A268 HydrophobicContact SD-CB 4.09Å; M266-G278 CarbonylContact O-C 3.55Å; M266-G278 WeakPolarHBondContact O-CA 3.34Å; M266-L279 HydrophobicContact CB-CB 4.14Å; M266-L279 PolarHBondContact N-O 2.7Å; M266-L279 PolarHBondContact O-N 3.19Å; M266-L279 HydrophobicContact SD-CD1 4.07Å; M266-L322 HydrophobicContact CE-CD2 4.3Å; M266-L322 HydrophobicContact SD-CD2 4.04Å
267S98.1Very high97.9Very high11 Ų1116.3 Ų16.38%0.0778%0.081CC..EExtended strand (participates in β ladder)trans-85.6107.4151.1-179.70000108.4K269 K270S267-K269 PolarHBondContact O-N 3.43Å; S267-K269 VanDerWaalsContact O-N 3.15Å; S267-K270 VanDerWaalsContact CB-NZ 3.31Å; S267-K270 PolarHBondContact OG-NZ 2.94Å
268A97.9Very high97.8Very high0 Ų016.1 Ų16.10%08%0.08CC..THydrogen-bonded Turntrans-74.9-3.5-176.600000113.3M266 K270 A272 M273 V274 G277 L318M266-A268 HydrophobicContact SD-CB 4.09Å; A268-K270 PolarHBondContact O-N 3.5Å; A268-A272 HydrophobicContact CB-CB 3.99Å; A268-A272 CarbonylContact O-C 3.52Å; A268-A272 VanDerWaalsContact O-CB 3.28Å; A268-A272 WeakPolarHBondContact O-CB 3.25Å; A268-A272 PolarHBondContact O-N 2.94Å; A268-M273 PolarHBondContact O-N 3.49Å; A268-V274 HydrophobicContact CB-CG2 3.83Å; A268-V274 WeakPolarHBondContact O-CG2 3.31Å; A268-G277 WeakPolarHBondContact CB-O 3.4Å; A268-G277 PolarHBondContact N-O 3Å; A268-L318 HydrophobicContact CB-CD1 3.21Å; A268-L318 HydrophobicContact CB-CD2 4.15Å; A268-L318 HydrophobicContact CB-CG 4.33Å
269K97.7Very high97.8Very high26 Ų2616 Ų1611%0.1138%0.08CC..THydrogen-bonded Turntrans-65.1-0.9175.8-59.6176.165.5-176.80115D53 S54 G55 Q101 S267 V274 P275 M276D53-K269 VanDerWaalsContact O-O 3.06Å; S54-K269 CarbonylContact C-O 3.59Å; S54-K269 WeakPolarHBondContact CA-O 3.36Å; S54-K269 WeakPolarHBondContact O-CE 3.49Å; S54-K269 PolarHBondContact O-NZ 2.91Å; S54-K269 WeakPolarHBondContact OG-CE 3.3Å; G55-K269 PolarHBondContact N-O 3.38Å; Q101-K269 HydrophobicContact CB-CD 4.06Å; S267-K269 PolarHBondContact O-N 3.43Å; S267-K269 VanDerWaalsContact O-N 3.15Å; K269-V274 VanDerWaalsContact CA-O 3.24Å; K269-V274 WeakPolarHBondContact CA-O 3.41Å; K269-P275 WeakPolarHBondContact CE-O 3.39Å; K269-M276 HydrophobicContact CD-SD 3.99Å
270K96.8Very high97.8Very high14 Ų1411.3 Ų11.36%0.0616%0.059CC..SBendtrans-108.2-97.6-177.6-71.175167.2168.30109S54 A229 R230 S267 A268 A272 M273 R424S54-K270 VanDerWaalsContact CB-NZ 3.35Å; S54-K270 PolarHBondContact OG-NZ 3.25Å; A229-K270 HydrophobicContact CB-CB 4.47Å; A229-K270 HydrophobicContact CB-CD 4.21Å; A229-K270 HydrophobicContact CB-CG 4.35Å; A229-K270 WeakPolarHBondContact O-CB 3.09Å; R230-K270 HydrophobicContact CG-CB 4.21Å; S267-K270 VanDerWaalsContact CB-NZ 3.31Å; S267-K270 PolarHBondContact OG-NZ 2.94Å; A268-K270 PolarHBondContact O-N 3.5Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 2.9Å; K270-M273 WeakPolarHBondContact O-CA 3.31Å; K270-M273 PolarHBondContact O-N 2.92Å; K270-R424 WeakPolarHBondContact O-CD 3.35Å; K270-R424 PolarHBondContact O-NE 2.81Å; K270-R424 VanDerWaalsContact O-NE 3.1Å; K270-R424 PolarHBondContact O-NH1 2.9Å
271D97Very high97.8Very high2 Ų29.9 Ų9.91%0.0115%0.054CC..THydrogen-bonded Turntrans-61.9-36.3-176.3-87.9-10.2000113.7A229 R230 F231 A232 E233 M273 G325 R424A229-D271 PolarHBondContact O-N 2.78Å; R230-D271 WeakPolarHBondContact CA-OD2 3.47Å; F231-D271 HydrophobicContact CD1-CB 4Å; F231-D271 HydrophobicContact CE1-CB 3.84Å; F231-D271 PolarHBondContact N-OD2 3.44Å; A232-D271 WeakPolarHBondContact CA-OD2 3.49Å; A232-D271 HydrophobicContact CB-CB 4.31Å; A232-D271 WeakPolarHBondContact CB-OD2 3.47Å; A232-D271 PolarHBondContact N-OD2 3.39Å; E233-D271 WeakPolarHBondContact CG-OD1 3.11Å; E233-D271 PolarHBondContact N-OD2 2.85Å; D271-M273 PolarHBondContact O-N 3.27Å; D271-G325 VanDerWaalsContact O-CA 3.22Å; D271-G325 WeakPolarHBondContact O-CA 3.3Å; D271-R424 IonicContact OD1-CZ 3.79Å; D271-R424 IonicContact OD1-NE 2.71Å; D271-R424 IonicContact OD1-NH2 3.46Å; D271-R424 PolarHBondContact OD1-NH2 2.94Å
272A97.1Very high97.8Very high0 Ų09.9 Ų9.90%05%0.054CC..THydrogen-bonded Turntrans-77.50.8176.800000113.7M63 A268 K270 V274 L318 G321 L322M63-A272 VanDerWaalsContact CE-O 3.26Å; M63-A272 WeakPolarHBondContact CE-O 3.12Å; A268-A272 HydrophobicContact CB-CB 3.99Å; A268-A272 CarbonylContact O-C 3.52Å; A268-A272 VanDerWaalsContact O-CB 3.28Å; A268-A272 WeakPolarHBondContact O-CB 3.25Å; A268-A272 PolarHBondContact O-N 2.94Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 2.9Å; A272-V274 PolarHBondContact O-N 3.02Å; A272-L318 HydrophobicContact CB-CD1 3.67Å; A272-G321 WeakPolarHBondContact CA-O 3.21Å; A272-G321 VanDerWaalsContact O-CA 3.25Å; A272-G321 WeakPolarHBondContact O-CA 3.32Å; A272-L322 HydrophobicContact CB-CD2 3.95Å; A272-L322 HydrophobicContact CB-CG 4.26Å
273M95Very high97.8Very high14 Ų1411.8 Ų11.87%0.0696%0.062CC..  trans58.18173.3-67.3168.5-6600116.2V59 T60 M63 A268 K270 D271 D324 W330 R424V59-M273 WeakPolarHBondContact CG1-O 3.2Å; T60-M273 HydrophobicContact CG2-CE 4.46Å; M63-M273 HydrophobicContact CE-CB 4.1Å; M63-M273 HydrophobicContact SD-CB 4.26Å; A268-M273 PolarHBondContact O-N 3.49Å; K270-M273 WeakPolarHBondContact O-CA 3.31Å; K270-M273 PolarHBondContact O-N 2.92Å; D271-M273 PolarHBondContact O-N 3.27Å; M273-D324 HydrophobicContact CE-CB 3.65Å; M273-W330 HydrophobicContact CE-CE3 3.84Å; M273-W330 HydrophobicContact CE-CZ3 3.58Å; M273-W330 HydrophobicContact SD-CE3 4.03Å; M273-W330 HydrophobicContact SD-CZ3 4.02Å; M273-R424 HydrophobicContact CG-CB 4.21Å; M273-R424 HydrophobicContact CG-CG 4.37Å
274V97.2Very high97.8Very high0 Ų014.1 Ų14.10%07%0.074CC..  trans-74.8144.2-176.4-700000112M63 A268 K269 A272 M276 R317 L318M63-V274 HydrophobicContact CE-CB 4.33Å; M63-V274 HydrophobicContact CE-CG1 3.49Å; M63-V274 VanDerWaalsContact CE-CG1 3.49Å; A268-V274 HydrophobicContact CB-CG2 3.83Å; A268-V274 WeakPolarHBondContact O-CG2 3.31Å; K269-V274 VanDerWaalsContact CA-O 3.24Å; K269-V274 WeakPolarHBondContact CA-O 3.41Å; A272-V274 PolarHBondContact O-N 3.02Å; V274-M276 WeakPolarHBondContact CB-O 3.41Å; V274-M276 VanDerWaalsContact CG2-O 3.28Å; V274-M276 WeakPolarHBondContact CG2-O 3.49Å; V274-M276 PolarHBondContact O-N 3.31Å; V274-R317 HydrophobicContact CG1-CB 4.33Å; V274-R317 HydrophobicContact CG1-CG 3.91Å; V274-L318 HydrophobicContact CG1-CB 4.08Å; V274-L318 HydrophobicContact CG1-CD1 4.31Å; V274-L318 HydrophobicContact CG2-CD1 4.08Å
275P96.5Very high97.7Very high49 Ų4919 Ų1932%0.31810%0.101SC..SBendtrans-63.2-31.7174.2-24.735.7000113V59 K269V59-P275 HydrophobicContact CG1-CG 3.9Å; K269-P275 WeakPolarHBondContact CE-O 3.39Å
276M97.4Very high97.7Very high78 Ų7822 Ų2238%0.38412%0.121SC..SBendtrans-147.4145.3175.1-162.758.567.100109.4H100 Q101 K269 V274 L310H100-M276 VanDerWaalsContact O-CG 3.3Å; H100-M276 WeakPolarHBondContact O-CG 3.35Å; Q101-M276 HydrophobicContact CB-SD 4.38Å; K269-M276 HydrophobicContact CD-SD 3.99Å; V274-M276 WeakPolarHBondContact CB-O 3.41Å; V274-M276 VanDerWaalsContact CG2-O 3.28Å; V274-M276 WeakPolarHBondContact CG2-O 3.49Å; V274-M276 PolarHBondContact O-N 3.31Å; M276-L310 HydrophobicContact CG-CD2 4.28Å
277G97.8Very high97.6Very high0 Ų022.8 Ų22.80%012%0.124CC..  trans148.9144.5-176.200000113.4T99 H100 A268T99-G277 CarbonylContact O-C 3.56Å; H100-G277 CarbonylContact O-C 3.21Å; H100-G277 VanDerWaalsContact O-C 3.31Å; H100-G277 VanDerWaalsContact O-CA 3.29Å; H100-G277 WeakPolarHBondContact O-CA 3.32Å; H100-G277 PolarHBondContact O-N 3.13Å; A268-G277 WeakPolarHBondContact CB-O 3.4Å; A268-G277 PolarHBondContact N-O 3Å
278G98.1Very high97.6Very high0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-156166.5173.100000111.8T99 M266T99-G278 PolarHBondContact N-O 2.66Å; T99-G278 WeakPolarHBondContact O-CA 3.49Å; T99-G278 PolarHBondContact O-N 3.39Å; T99-G278 WeakPolarHBondContact OG1-CA 3.46Å; T99-G278 PolarHBondContact OG1-O 3.48Å; M266-G278 CarbonylContact O-C 3.55Å; M266-G278 WeakPolarHBondContact O-CA 3.34Å
279L98.6Very high97.6Very high0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-137.6140.1-177.6-64.4169.2000110.3L83 V87 T96 T99 L264 A265 M266 L318 L322L83-L279 HydrophobicContact CD1-CD2 4.19Å; L83-L279 HydrophobicContact CD2-CD2 4.06Å; L83-L279 HydrophobicContact CG-CD2 4.24Å; V87-L279 HydrophobicContact CG2-CD1 3.87Å; V87-L279 HydrophobicContact CG2-CD2 4.12Å; T96-L279 HydrophobicContact CG2-CD2 4.01Å; T99-L279 PolarHBondContact OG1-N 3.25Å; L264-L279 HydrophobicContact CD1-CB 4.14Å; A265-L279 CarbonylContact C-O 3.58Å; A265-L279 WeakPolarHBondContact CA-O 3.48Å; M266-L279 HydrophobicContact CB-CB 4.14Å; M266-L279 PolarHBondContact N-O 2.7Å; M266-L279 PolarHBondContact O-N 3.19Å; M266-L279 HydrophobicContact SD-CD1 4.07Å; L279-L318 HydrophobicContact CD2-CD2 4.13Å; L279-L318 HydrophobicContact CG-CD2 4.26Å; L279-L322 HydrophobicContact CD1-CD1 4.22Å; L279-L322 HydrophobicContact CD1-CD2 4.27Å
280L98.7Very high97.7Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-123.7116.6160.5171.659.8000107.2I97 A105 I108 Y109 L264 M282 C294I97-L280 HydrophobicContact CB-CB 4.3Å; I97-L280 HydrophobicContact CD1-CD2 4.37Å; I97-L280 PolarHBondContact N-O 3.39Å; I97-L280 PolarHBondContact O-N 2.93Å; A105-L280 HydrophobicContact CB-CB 3.89Å; I108-L280 HydrophobicContact CB-CD2 4.21Å; I108-L280 HydrophobicContact CG2-CD2 3.8Å; Y109-L280 HydrophobicContact CD1-CD1 3.98Å; Y109-L280 HydrophobicContact CG-CD1 4.14Å; L264-L280 WeakPolarHBondContact O-CA 3.33Å; L280-M282 HydrophobicContact CD1-CE 4.13Å; L280-M282 HydrophobicContact CD2-CE 3.97Å; L280-M282 HydrophobicContact CG-CE 3.86Å; L280-M282 HydrophobicContact CG-SD 4.43Å; L280-C294 HydrophobicContact CD2-CB 4.03Å
281C98.8Very high97.8Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-129.5147.1-178.1-43.20000111.5V87 Y93 Y95 M263 L264V87-C281 HydrophobicContact CG1-CB 4.14Å; Y93-C281 HydrophobicContact CD2-CB 3.77Å; Y93-C281 HydrophobicContact CG-CB 4.39Å; Y95-C281 CarbonylContact O-C 3.55Å; Y95-C281 WeakPolarHBondContact O-CA 3.49Å; Y95-C281 VanDerWaalsContact O-CB 3.22Å; Y95-C281 WeakPolarHBondContact O-CB 3.13Å; M263-C281 CarbonylContact C-O 3.51Å; M263-C281 VanDerWaalsContact CA-O 3.22Å; M263-C281 WeakPolarHBondContact CA-O 3.32Å; L264-C281 HydrophobicContact CD1-CB 4.12Å; L264-C281 HydrophobicContact CD2-CB 4.09Å; L264-C281 HydrophobicContact CG-CB 3.79Å; L264-C281 PolarHBondContact N-O 3.26Å; L264-C281 PolarHBondContact O-N 2.98Å
282M98.7Very high97.8Very high0 Ų031.5 Ų31.50%017%0.168CC..EExtended strand (participates in β ladder)trans-115.7137.2175.9-59.769.6179.900108.5Q94 Y95 I97 M263 L280 F287 V290 Y291 C294Q94-M282 PolarHBondContact N-O 3.18Å; Y95-M282 HydrophobicContact CD2-CB 4.4Å; Y95-M282 PolarHBondContact N-O 3.42Å; Y95-M282 VanDerWaalsContact N-O 3.14Å; Y95-M282 PolarHBondContact O-N 3.11Å; I97-M282 HydrophobicContact CD1-CE 4.47Å; M263-M282 HydrophobicContact CG-CB 4.47Å; M263-M282 HydrophobicContact CG-CG 3.99Å; L280-M282 HydrophobicContact CD1-CE 4.13Å; L280-M282 HydrophobicContact CD2-CE 3.97Å; L280-M282 HydrophobicContact CG-CE 3.86Å; L280-M282 HydrophobicContact CG-SD 4.43Å; M282-F287 HydrophobicContact CB-CB 4.21Å; M282-F287 HydrophobicContact CG-CB 4.3Å; M282-V290 HydrophobicContact CE-CG1 4Å; M282-Y291 HydrophobicContact SD-CD2 3.99Å; M282-Y291 HydrophobicContact SD-CG 4.45Å; M282-C294 HydrophobicContact CE-CB 3.78Å; M282-C294 VanDerWaalsContact CE-SG 3.59Å
283K98.3Very high97.9Very high45 Ų4535.1 Ų35.120%0.19619%0.185CC..  trans-62.6-51.8-170.6-175.9177.4179.4179.40113.3Y93 Q94 K259 A261 D262Y93-K283 HydrophobicContact CD1-CB 4.11Å; Y93-K283 HydrophobicContact CD1-CG 4.1Å; Y93-K283 HydrophobicContact CD2-CB 4.32Å; Y93-K283 HydrophobicContact CE1-CB 3.99Å; Y93-K283 HydrophobicContact CE1-CD 4.36Å; Y93-K283 HydrophobicContact CE1-CG 3.95Å; Y93-K283 HydrophobicContact CE2-CB 4.24Å; Y93-K283 HydrophobicContact CG-CB 4.29Å; Q94-K283 WeakPolarHBondContact CB-O 3.48Å; Q94-K283 WeakPolarHBondContact CG-O 3.43Å; Q94-K283 PolarHBondContact N-O 3.48Å; K259-K283 PolarHBondContact O-NZ 3.07Å; A261-K283 WeakPolarHBondContact O-CD 3.06Å; D262-K283 VanDerWaalsContact O-CB 3.27Å; D262-K283 WeakPolarHBondContact O-CB 3.37Å; D262-K283 PolarHBondContact O-N 3.17Å
284D98Very high98Very high48 Ų4834.5 Ų34.526%0.25718%0.182SC..SBendtrans-159.1-172.4-173.358.852000111.9S286 F287D284-S286 PolarHBondContact O-N 3.49Å; D284-S286 VanDerWaalsContact O-N 3.08Å; D284-S286 VanDerWaalsContact OD1-CB 3.27Å; D284-S286 WeakPolarHBondContact OD1-CB 3.09Å; D284-S286 PolarHBondContact OD1-N 3.5Å; D284-S286 PolarHBondContact OD1-OG 3.33Å; D284-F287 PolarHBondContact O-N 3.13Å
285D98.2Very high98Very high104 Ų10438.9 Ų38.956%0.55620%0.199SC*.G310 helixtrans-59.4-19.1-174.8-68.9-13.1000114.5Y95 F287 F288Y95-D285 WeakPolarHBondContact CE2-OD1 3.41Å; Y95-D285 PolarHBondContact OH-OD1 2.93Å; D285-F287 PolarHBondContact O-N 3.21Å; D285-F287 VanDerWaalsContact O-N 3.12Å; D285-F288 WeakPolarHBondContact O-CB 3.38Å; D285-F288 PolarHBondContact O-N 3.09Å; D285-F288 VanDerWaalsContact O-N 3.1Å
286S97Very high98.1Very high71 Ų7140.6 Ų40.650%0.49721%0.208SC..G310 helixtrans-63.4-1717763.80000113.6D284D284-S286 PolarHBondContact O-N 3.49Å; D284-S286 VanDerWaalsContact O-N 3.08Å; D284-S286 VanDerWaalsContact OD1-CB 3.27Å; D284-S286 WeakPolarHBondContact OD1-CB 3.09Å; D284-S286 PolarHBondContact OD1-N 3.5Å; D284-S286 PolarHBondContact OD1-OG 3.33Å
287F97.5Very high98.1Very high17 Ų1739.1 Ų39.18%0.07520%0.202CC..G310 helixtrans-122.224.5174.9-71.8-92.7000112.4P223 D262 M263 M282 D284 D285 D289 V290 Y291P223-F287 HydrophobicContact CB-CE1 3.89Å; P223-F287 HydrophobicContact CB-CZ 4.14Å; P223-F287 HydrophobicContact CG-CE1 4Å; P223-F287 HydrophobicContact CG-CZ 4.35Å; D262-F287 HydrophobicContact CB-CD2 3.92Å; D262-F287 HydrophobicContact CB-CE1 4.27Å; D262-F287 HydrophobicContact CB-CE2 3.37Å; D262-F287 HydrophobicContact CB-CZ 3.57Å; D262-F287 VanDerWaalsContact CG-CE2 3.4Å; D262-F287 WeakPolarHBondContact OD1-CE2 3.43Å; M263-F287 HydrophobicContact CE-CD1 4.01Å; M263-F287 HydrophobicContact CE-CE1 3.87Å; M263-F287 HydrophobicContact SD-CD1 4.39Å; M282-F287 HydrophobicContact CB-CB 4.21Å; M282-F287 HydrophobicContact CG-CB 4.3Å; D284-F287 PolarHBondContact O-N 3.13Å; D285-F287 PolarHBondContact O-N 3.21Å; D285-F287 VanDerWaalsContact O-N 3.12Å; F287-D289 VanDerWaalsContact C-N 3.28Å; F287-D289 PolarHBondContact O-N 3.46Å; F287-V290 HydrophobicContact CB-CB 4.35Å; F287-V290 HydrophobicContact CD1-CB 4.37Å; F287-V290 HydrophobicContact CD1-CG2 3.93Å; F287-V290 PolarHBondContact O-N 3.26Å; F287-Y291 PolarHBondContact O-N 2.96Å
288F98.2Very high98Very high94 Ų9439.1 Ų39.141%0.41220%0.202SC..Hα-helixtrans-64.1-32.8-179.8-175.5-107000113.2Y95 D285 Y291 T292Y95-F288 AromaticContact CE1-CD2 3.87Å; Y95-F288 HydrophobicContact CE1-CD2 3.87Å; Y95-F288 AromaticContact CE1-CE2 3.92Å; Y95-F288 HydrophobicContact CE1-CE2 3.92Å; Y95-F288 AromaticContact CE2-CD2 3.85Å; Y95-F288 HydrophobicContact CE2-CD2 3.85Å; Y95-F288 AromaticContact CZ-CD2 3.48Å; Y95-F288 VanDerWaalsContact CZ-CD2 3.48Å; Y95-F288 AromaticContact CZ-CE2 3.94Å; Y95-F288 WeakPolarHBondContact OH-CD2 3.37Å; D285-F288 WeakPolarHBondContact O-CB 3.38Å; D285-F288 PolarHBondContact O-N 3.09Å; D285-F288 VanDerWaalsContact O-N 3.1Å; F288-Y291 AromaticContact CD2-CD1 3.95Å; F288-Y291 HydrophobicContact CD2-CD1 3.95Å; F288-Y291 AromaticContact CE2-CD1 3.89Å; F288-Y291 HydrophobicContact CE2-CD1 3.89Å; F288-Y291 HydrophobicContact CE2-CE1 4.2Å; F288-Y291 PolarHBondContact O-N 2.8Å; F288-T292 PolarHBondContact O-N 3.3Å; F288-T292 PolarHBondContact O-OG1 2.98Å
289D97.9Very high97.9Very high66 Ų6643 Ų4335%0.35323%0.225SC..Hα-helixtrans-63.9-45.917365.3-39.9000111.3K116 F287 Y291 T292 E293K116-D289 IonicContact NZ-OD1 2.75Å; K116-D289 IonicContact NZ-OD2 3.64Å; K116-D289 PolarHBondContact NZ-OD2 3.18Å; F287-D289 VanDerWaalsContact C-N 3.28Å; F287-D289 PolarHBondContact O-N 3.46Å; D289-Y291 PolarHBondContact O-N 2.82Å; D289-T292 PolarHBondContact O-N 3.09Å; D289-T292 VanDerWaalsContact O-N 3.16Å; D289-E293 PolarHBondContact O-N 3.01Å
290V98.5Very high97.8Very high1 Ų148.6 Ų48.61%0.00626%0.259CS..Hα-helixtrans-60.7-45.3174.11760000110.6V112 L113 K116 M263 M282 F287 T292 E293 C294V112-V290 HydrophobicContact CG1-CB 4.29Å; V112-V290 HydrophobicContact CG1-CG1 3.82Å; V112-V290 HydrophobicContact CG1-CG2 4.41Å; L113-V290 HydrophobicContact CD2-CG1 3.94Å; L113-V290 HydrophobicContact CD2-CG2 4.04Å; K116-V290 HydrophobicContact CD-CG2 3.44Å; K116-V290 VanDerWaalsContact CD-CG2 3.44Å; M263-V290 HydrophobicContact SD-CG1 4.02Å; M282-V290 HydrophobicContact CE-CG1 4Å; F287-V290 HydrophobicContact CB-CB 4.35Å; F287-V290 HydrophobicContact CD1-CB 4.37Å; F287-V290 HydrophobicContact CD1-CG2 3.93Å; F287-V290 PolarHBondContact O-N 3.26Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 3.43Å; V290-E293 PolarHBondContact O-N 2.93Å; V290-C294 VanDerWaalsContact O-CB 3.27Å; V290-C294 WeakPolarHBondContact O-CB 3.27Å; V290-C294 PolarHBondContact O-N 3.31Å; V290-C294 PolarHBondContact O-SG 2.89Å
291Y98.5Very high97.6Very high22 Ų2252.6 Ų52.69%0.08628%0.278CS..Hα-helixtrans-55.8-45.6173.8170.1-117.7000111.9Y95 I97 M282 F287 F288 D289 C294 R295Y95-Y291 AromaticContact CD1-CD1 3.77Å; Y95-Y291 HydrophobicContact CD1-CD1 3.77Å; Y95-Y291 AromaticContact CD1-CE1 3.56Å; Y95-Y291 HydrophobicContact CD1-CE1 3.56Å; Y95-Y291 HydrophobicContact CD1-CG 4.3Å; Y95-Y291 AromaticContact CD1-CZ 3.95Å; Y95-Y291 HydrophobicContact CE1-CD1 4.34Å; Y95-Y291 HydrophobicContact CE1-CE1 4.18Å; Y95-Y291 AromaticContact CG-CD1 3.9Å; Y95-Y291 HydrophobicContact CG-CD1 3.9Å; Y95-Y291 HydrophobicContact CG-CD2 4.33Å; Y95-Y291 HydrophobicContact CG-CE1 4.09Å; Y95-Y291 AromaticContact CG-CG 3.99Å; Y95-Y291 HydrophobicContact CG-CG 3.99Å; I97-Y291 HydrophobicContact CD1-CD2 3.84Å; I97-Y291 HydrophobicContact CD1-CE2 4.03Å; I97-Y291 HydrophobicContact CG1-CD2 3.93Å; I97-Y291 HydrophobicContact CG1-CE2 3.68Å; M282-Y291 HydrophobicContact SD-CD2 3.99Å; M282-Y291 HydrophobicContact SD-CG 4.45Å; F287-Y291 PolarHBondContact O-N 2.96Å; F288-Y291 AromaticContact CD2-CD1 3.95Å; F288-Y291 HydrophobicContact CD2-CD1 3.95Å; F288-Y291 AromaticContact CE2-CD1 3.89Å; F288-Y291 HydrophobicContact CE2-CD1 3.89Å; F288-Y291 HydrophobicContact CE2-CE1 4.2Å; F288-Y291 PolarHBondContact O-N 2.8Å; D289-Y291 PolarHBondContact O-N 2.82Å; Y291-C294 PolarHBondContact O-N 3.31Å; Y291-R295 HydrophobicContact CD2-CG 4.11Å; Y291-R295 HydrophobicContact CE2-CG 3.78Å; Y291-R295 VanDerWaalsContact CZ-CD 3.42Å; Y291-R295 VanDerWaalsContact O-CG 3.29Å; Y291-R295 WeakPolarHBondContact O-CG 3.47Å; Y291-R295 PolarHBondContact O-N 3.22Å
292T98.3Very high97.3Very high52 Ų5253.6 Ų53.632%0.31928%0.282SS..Hα-helixtrans-63.7-44.4-179.8-59.30000112.4F288 D289 V290 R295 T296F288-T292 PolarHBondContact O-N 3.3Å; F288-T292 PolarHBondContact O-OG1 2.98Å; D289-T292 PolarHBondContact O-N 3.09Å; D289-T292 VanDerWaalsContact O-N 3.16Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 3.43Å; T292-R295 PolarHBondContact O-N 3.29Å; T292-T296 PolarHBondContact O-N 2.85Å; T292-T296 PolarHBondContact O-OG1 3.4Å
293E98.2Very high97Very high77 Ų7754.3 Ų54.336%0.3629%0.29SS..Hα-helixtrans-66.2-41.8176-68.1-73.7126.700111.4V112 K115 D289 V290 R295 T296 L297V112-E293 HydrophobicContact CB-CB 4.49Å; V112-E293 HydrophobicContact CG1-CB 3.66Å; V112-E293 HydrophobicContact CG1-CG 4.45Å; V112-E293 HydrophobicContact CG2-CB 3.93Å; K115-E293 IonicContact NZ-OE2 3.33Å; K115-E293 PolarHBondContact NZ-OE2 3.01Å; D289-E293 PolarHBondContact O-N 3.01Å; V290-E293 PolarHBondContact O-N 2.93Å; E293-R295 PolarHBondContact O-N 3.36Å; E293-T296 WeakPolarHBondContact O-CB 3.39Å; E293-T296 PolarHBondContact O-N 2.85Å; E293-T296 VanDerWaalsContact O-N 3.1Å; E293-L297 PolarHBondContact O-N 3.22Å
294C98.4Very high96.9Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-61.8-40.3176.5-73.50000112.4I97 I108 L280 M282 V290 Y291 T296 L297 C298I97-C294 HydrophobicContact CD1-CB 3.59Å; I108-C294 VanDerWaalsContact CG2-CA 3.49Å; I108-C294 HydrophobicContact CG2-CB 3.49Å; I108-C294 VanDerWaalsContact CG2-CB 3.49Å; I108-C294 WeakPolarHBondContact CG2-O 3.31Å; L280-C294 HydrophobicContact CD2-CB 4.03Å; M282-C294 HydrophobicContact CE-CB 3.78Å; M282-C294 VanDerWaalsContact CE-SG 3.59Å; V290-C294 VanDerWaalsContact O-CB 3.27Å; V290-C294 WeakPolarHBondContact O-CB 3.27Å; V290-C294 PolarHBondContact O-N 3.31Å; V290-C294 PolarHBondContact O-SG 2.89Å; Y291-C294 PolarHBondContact O-N 3.31Å; C294-T296 VanDerWaalsContact C-N 3.28Å; C294-T296 PolarHBondContact O-N 3.41Å; C294-L297 PolarHBondContact O-N 2.65Å; C294-C298 VanDerWaalsContact O-CB 3.31Å; C294-C298 WeakPolarHBondContact O-CB 3.26Å; C294-C298 PolarHBondContact O-N 3.4Å
295R97.5Very high96.8Very high93 Ų9352.4 Ų52.435%0.35128%0.279SS..Hα-helixtrans-60.7-40173.1-71.6177.969.3-167.80.4111.8I97 Y291 T292 E293 C298 V299 P305I97-R295 HydrophobicContact CD1-CG 3.83Å; I97-R295 HydrophobicContact CG1-CG 4.24Å; Y291-R295 HydrophobicContact CD2-CG 4.11Å; Y291-R295 HydrophobicContact CE2-CG 3.78Å; Y291-R295 VanDerWaalsContact CZ-CD 3.42Å; Y291-R295 VanDerWaalsContact O-CG 3.29Å; Y291-R295 WeakPolarHBondContact O-CG 3.47Å; Y291-R295 PolarHBondContact O-N 3.22Å; T292-R295 PolarHBondContact O-N 3.29Å; E293-R295 PolarHBondContact O-N 3.36Å; R295-C298 WeakPolarHBondContact O-CB 3.01Å; R295-C298 PolarHBondContact O-N 3.22Å; R295-V299 WeakPolarHBondContact O-CG2 3.43Å; R295-V299 PolarHBondContact O-N 2.82Å; R295-P305 HydrophobicContact CB-CB 4.17Å; R295-P305 HydrophobicContact CB-CG 3.89Å; R295-P305 HydrophobicContact CG-CB 3.96Å; R295-P305 HydrophobicContact CG-CG 4.24Å
296T97.3Very high96.7Very high84 Ų8448.2 Ų48.252%0.51526%0.258SS..Hα-helixtrans-64.5-45179.6-57.30000110.8T292 E293 C294 V299T292-T296 PolarHBondContact O-N 2.85Å; T292-T296 PolarHBondContact O-OG1 3.4Å; E293-T296 WeakPolarHBondContact O-CB 3.39Å; E293-T296 PolarHBondContact O-N 2.85Å; E293-T296 VanDerWaalsContact O-N 3.1Å; C294-T296 VanDerWaalsContact C-N 3.28Å; C294-T296 PolarHBondContact O-N 3.41Å; T296-V299 PolarHBondContact O-N 3.23Å
297L97Very high96.6Very high48 Ų4847.1 Ų47.125%0.25124%0.243SC..Hα-helixtrans-67.5-36.8174.6-70.9-176.9000112.9I108 P111 V112 E293 C294 V299 V300 Q301I108-L297 HydrophobicContact CG2-CB 4.22Å; P111-L297 HydrophobicContact CG-CD1 4.03Å; V112-L297 HydrophobicContact CG2-CD1 3.55Å; V112-L297 HydrophobicContact CG2-CG 4.45Å; E293-L297 PolarHBondContact O-N 3.22Å; C294-L297 PolarHBondContact O-N 2.65Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.68Å; L297-V300 PolarHBondContact O-N 3.48Å; L297-Q301 WeakPolarHBondContact O-CB 3.49Å; L297-Q301 PolarHBondContact O-N 2.7Å
298C96.9Very high96.5Very high0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-53.4-47.2175.8-176.70000111.3I97 I108 C294 R295 V300 Q301 E302 G303I97-C298 HydrophobicContact CG2-CB 4.25Å; I108-C298 HydrophobicContact CD1-CB 3.88Å; C294-C298 VanDerWaalsContact O-CB 3.31Å; C294-C298 WeakPolarHBondContact O-CB 3.26Å; C294-C298 PolarHBondContact O-N 3.4Å; R295-C298 WeakPolarHBondContact O-CB 3.01Å; R295-C298 PolarHBondContact O-N 3.22Å; C298-V300 PolarHBondContact O-N 2.66Å; C298-Q301 PolarHBondContact O-N 3.47Å; C298-E302 PolarHBondContact O-N 2.84Å; C298-G303 CarbonylContact C-O 3.6Å; C298-G303 PolarHBondContact O-N 3.19Å
299V96.2Very high96.3Very high81 Ų8143.9 Ų43.949%0.49124%0.241SC..Hα-helixtrans-52.6-38.7176.3175.90000112.6R295 T296 L297 G303 P305R295-V299 WeakPolarHBondContact O-CG2 3.43Å; R295-V299 PolarHBondContact O-N 2.82Å; T296-V299 PolarHBondContact O-N 3.23Å; L297-V299 VanDerWaalsContact C-N 3.3Å; L297-V299 PolarHBondContact O-N 2.68Å; V299-G303 WeakPolarHBondContact CA-O 3.14Å; V299-G303 PolarHBondContact N-O 3Å; V299-P305 HydrophobicContact CG2-CG 3.91Å
300V94.7Very high96.2Very high117 Ų11741.2 Ų41.271%0.70923%0.227SC*.Hα-helixtrans-85.7-31.4-174.4-179.90000112L297 C298L297-V300 PolarHBondContact O-N 3.48Å; C298-V300 PolarHBondContact O-N 2.66Å
301Q94.6Very high96.1Very high85 Ų8545.5 Ų45.540%0.39725%0.247SC..Hα-helixtrans-115.6-25.5-164-64.8-180-2800114.9Q107 L297 C298Q107-Q301 PolarHBondContact O-OE1 3.22Å; L297-Q301 WeakPolarHBondContact O-CB 3.49Å; L297-Q301 PolarHBondContact O-N 2.7Å; C298-Q301 PolarHBondContact O-N 3.47Å
302E93.7Very high96.1Very high21 Ų2144.5 Ų44.510%0.09824%0.243CC..THydrogen-bonded Turntrans-133.8-34.7-159.9-173.569.1-177.200113T99 H100 G104 Q107 I108 C298 G308 G309T99-E302 WeakPolarHBondContact CA-OE1 3.47Å; T99-E302 VanDerWaalsContact CB-OE1 3.27Å; T99-E302 WeakPolarHBondContact CB-OE1 3.37Å; T99-E302 HydrophobicContact CG2-CG 4.16Å; H100-E302 IonicContact CE1-OE1 2.89Å; H100-E302 IonicContact CE1-OE2 2.82Å; H100-E302 IonicContact CG-OE1 2.86Å; H100-E302 PolarHBondContact N-OE1 3.44Å; H100-E302 IonicContact ND1-OE1 3.4Å; H100-E302 PolarHBondContact ND1-OE1 2.89Å; H100-E302 IonicContact ND1-OE2 3.89Å; H100-E302 PolarHBondContact ND1-OE2 3.2Å; H100-E302 VanDerWaalsContact ND1-OE2 3.11Å; G104-E302 WeakPolarHBondContact CA-OE2 3.47Å; Q107-E302 PolarHBondContact NE2-OE2 3.03Å; I108-E302 HydrophobicContact CD1-CB 3.96Å; I108-E302 HydrophobicContact CD1-CG 4.17Å; C298-E302 PolarHBondContact O-N 2.84Å; E302-G308 CarbonylContact O-C 3.59Å; E302-G308 VanDerWaalsContact O-C 3.26Å; E302-G309 VanDerWaalsContact O-CA 3.3Å; E302-G309 WeakPolarHBondContact O-CA 3.23Å; E302-G309 PolarHBondContact O-N 3.24Å; E302-G309 VanDerWaalsContact O-N 3.09Å
303G93.1Very high96Very high15 Ų1542.1 Ų42.116%0.15523%0.229CC..SBendtrans148-155.9-17700000110.6C298 V299C298-G303 CarbonylContact C-O 3.6Å; C298-G303 PolarHBondContact O-N 3.19Å; V299-G303 WeakPolarHBondContact CA-O 3.14Å; V299-G303 PolarHBondContact N-O 3Å
304F95Very high96Very high48 Ų4838.6 Ų38.621%0.21121%0.213CC..  trans-87.2151.5175.2-164-107.8000111Y74 S75 T306 Y307 G308Y74-F304 HydrophobicContact CE1-CB 4.31Å; Y74-F304 AromaticContact CE1-CD2 3.86Å; Y74-F304 HydrophobicContact CE1-CD2 3.86Å; Y74-F304 HydrophobicContact CE1-CE2 4.39Å; Y74-F304 HydrophobicContact CE1-CG 4.06Å; S75-F304 VanDerWaalsContact CB-CE1 3.48Å; S75-F304 VanDerWaalsContact OG-CE1 3.26Å; S75-F304 WeakPolarHBondContact OG-CE1 3.44Å; F304-T306 WeakPolarHBondContact CD1-OG1 3.25Å; F304-T306 HydrophobicContact CE1-CG2 4.44Å; F304-T306 PolarHBondContact O-N 2.93Å; F304-Y307 HydrophobicContact CB-CD1 3.54Å; F304-Y307 HydrophobicContact CB-CE1 3.12Å; F304-Y307 HydrophobicContact CB-CG 4.45Å; F304-Y307 HydrophobicContact CG-CE1 4.3Å; F304-Y307 PolarHBondContact N-OH 3.07Å; F304-Y307 PolarHBondContact O-N 3.4Å; F304-G308 PolarHBondContact O-N 3.2Å
305P95.5Very high96Very high4 Ų438.8 Ų38.83%0.02621%0.214CC..THydrogen-bonded Turntrans-53.2-23.1-177.1-34.840.1000116.6P98 R295 V299P98-P305 WeakPolarHBondContact CD-O 3.49Å; R295-P305 HydrophobicContact CB-CB 4.17Å; R295-P305 HydrophobicContact CB-CG 3.89Å; R295-P305 HydrophobicContact CG-CB 3.96Å; R295-P305 HydrophobicContact CG-CG 4.24Å; V299-P305 HydrophobicContact CG2-CG 3.91Å
306T96Very high96Very high16 Ų1635.5 Ų35.510%0.09820%0.203CC..THydrogen-bonded Turntrans-97.13.9179.2620000113.9Y80 F304Y80-T306 VanDerWaalsContact CB-O 3.3Å; Y80-T306 WeakPolarHBondContact CB-O 3.39Å; Y80-T306 HydrophobicContact CD1-CG2 3.81Å; Y80-T306 VanDerWaalsContact CD2-CA 3.46Å; Y80-T306 HydrophobicContact CD2-CG2 4.16Å; Y80-T306 WeakPolarHBondContact CD2-O 3.42Å; Y80-T306 HydrophobicContact CE1-CG2 3.9Å; Y80-T306 HydrophobicContact CE2-CG2 4.22Å; Y80-T306 HydrophobicContact CG-CG2 3.95Å; F304-T306 WeakPolarHBondContact CD1-OG1 3.25Å; F304-T306 HydrophobicContact CE1-CG2 4.44Å; F304-T306 PolarHBondContact O-N 2.93Å
307Y95.8Very high96.1Very high48 Ų4832.7 Ų32.719%0.18818%0.183CC..THydrogen-bonded Turntrans-146.7-24.1175.574.8-108.4000115.1Y74 F304 G309 L310Y74-Y307 HydrophobicContact CD2-CE1 4.31Å; Y74-Y307 HydrophobicContact CE2-CE1 4.26Å; Y74-Y307 WeakPolarHBondContact O-CD1 3.19Å; Y74-Y307 WeakPolarHBondContact O-CE1 3.41Å; F304-Y307 HydrophobicContact CB-CD1 3.54Å; F304-Y307 HydrophobicContact CB-CE1 3.12Å; F304-Y307 HydrophobicContact CB-CG 4.45Å; F304-Y307 HydrophobicContact CG-CE1 4.3Å; F304-Y307 PolarHBondContact N-OH 3.07Å; F304-Y307 PolarHBondContact O-N 3.4Å; Y307-G309 VanDerWaalsContact C-N 3.28Å; Y307-G309 VanDerWaalsContact CE2-N 3.29Å; Y307-G309 PolarHBondContact O-N 3.3Å; Y307-G309 VanDerWaalsContact O-N 3.14Å; Y307-L310 WeakPolarHBondContact CB-O 3.49Å; Y307-L310 WeakPolarHBondContact CD2-O 3.21Å; Y307-L310 VanDerWaalsContact O-CB 3.31Å; Y307-L310 WeakPolarHBondContact O-CB 3.47Å; Y307-L310 PolarHBondContact O-N 3.48Å
308G95.1Very high96.2Very high0 Ų030.4 Ų30.40%017%0.171CC..THydrogen-bonded Turntrans46.445.5174.600000115.4P98 T99 H100 E302 F304P98-G308 VanDerWaalsContact O-CA 3.29Å; P98-G308 WeakPolarHBondContact O-CA 3.21Å; T99-G308 CarbonylContact C-O 3.57Å; T99-G308 VanDerWaalsContact C-O 3.31Å; T99-G308 WeakPolarHBondContact CA-O 3.24Å; H100-G308 PolarHBondContact N-O 2.82Å; E302-G308 CarbonylContact O-C 3.59Å; E302-G308 VanDerWaalsContact O-C 3.26Å; F304-G308 PolarHBondContact O-N 3.2Å
309G93.1Very high96.2Very high44 Ų4430.7 Ų30.745%0.45417%0.173SC..THydrogen-bonded Turntrans85.4-0.4179.600000115.8E302 Y307E302-G309 VanDerWaalsContact O-CA 3.3Å; E302-G309 WeakPolarHBondContact O-CA 3.23Å; E302-G309 PolarHBondContact O-N 3.24Å; E302-G309 VanDerWaalsContact O-N 3.09Å; Y307-G309 VanDerWaalsContact C-N 3.28Å; Y307-G309 VanDerWaalsContact CE2-N 3.29Å; Y307-G309 PolarHBondContact O-N 3.3Å; Y307-G309 VanDerWaalsContact O-N 3.14Å
310L96.8Very high96.3Very high9 Ų928.4 Ų28.45%0.04716%0.159CC..  trans-91.2142.5175.8-59.1177.4000112.4P98 T99 M276 Y307 A314 M315P98-L310 HydrophobicContact CB-CD1 4.15Å; T99-L310 WeakPolarHBondContact O-CD1 3.47Å; M276-L310 HydrophobicContact CG-CD2 4.28Å; Y307-L310 WeakPolarHBondContact CB-O 3.49Å; Y307-L310 WeakPolarHBondContact CD2-O 3.21Å; Y307-L310 VanDerWaalsContact O-CB 3.31Å; Y307-L310 WeakPolarHBondContact O-CB 3.47Å; Y307-L310 PolarHBondContact O-N 3.48Å; L310-A314 HydrophobicContact CB-CB 4.17Å; L310-A314 HydrophobicContact CD2-CB 4.25Å; L310-M315 HydrophobicContact CB-CG 4.02Å; L310-M315 HydrophobicContact CD1-CG 4.1Å
311E96.3Very high96.5Very high92 Ų9222.8 Ų22.843%0.4313%0.125SC..  trans-69157.1163.675.2-80.6-171.900111.4G313 A314 M315E311-G313 PolarHBondContact O-N 2.9Å; E311-A314 HydrophobicContact CG-CB 4.05Å; E311-A314 WeakPolarHBondContact O-CB 3.26Å; E311-A314 PolarHBondContact O-N 2.92Å; E311-A314 WeakPolarHBondContact OE1-CB 3.41Å; E311-M315 PolarHBondContact O-N 3.06Å
312G97.7Very high96.7Very high1 Ų118.8 Ų18.81%0.0111%0.106CC..Hα-helixtrans-53.9-42.6177.400000111.9E72 S79 A314 M315 E316E72-G312 VanDerWaalsContact CD-N 3.31Å; E72-G312 WeakPolarHBondContact OE1-CA 3.32Å; E72-G312 PolarHBondContact OE1-N 3Å; E72-G312 VanDerWaalsContact OE1-N 3.15Å; E72-G312 PolarHBondContact OE2-N 3.04Å; S79-G312 WeakPolarHBondContact CB-O 3.21Å; G312-A314 VanDerWaalsContact C-N 3.34Å; G312-A314 PolarHBondContact O-N 3.41Å; G312-M315 PolarHBondContact O-N 3.09Å; G312-E316 WeakPolarHBondContact O-CG 3.42Å; G312-E316 PolarHBondContact O-N 3.26Å
313G97.8Very high96.9Very high2 Ų221.8 Ų21.82%0.02112%0.117CC..Hα-helixtrans-59.9-36.1174.900000114.6M67 E72 E311 R317M67-G313 WeakPolarHBondContact CA-O 3.33Å; M67-G313 WeakPolarHBondContact O-CA 3.37Å; E72-G313 PolarHBondContact OE1-N 3.29Å; E72-G313 VanDerWaalsContact OE1-N 3.08Å; E311-G313 PolarHBondContact O-N 2.9Å; G313-R317 VanDerWaalsContact O-CB 3.3Å; G313-R317 WeakPolarHBondContact O-CB 3.16Å; G313-R317 PolarHBondContact O-N 2.87Å
314A97.7Very high97.1Very high3 Ų322.6 Ų22.63%0.02512%0.118CC..Hα-helixtrans-69.7-38175.600000111.7L310 E311 G312 R317 L318L310-A314 HydrophobicContact CB-CB 4.17Å; L310-A314 HydrophobicContact CD2-CB 4.25Å; E311-A314 HydrophobicContact CG-CB 4.05Å; E311-A314 WeakPolarHBondContact O-CB 3.26Å; E311-A314 PolarHBondContact O-N 2.92Å; E311-A314 WeakPolarHBondContact OE1-CB 3.41Å; G312-A314 VanDerWaalsContact C-N 3.34Å; G312-A314 PolarHBondContact O-N 3.41Å; A314-R317 PolarHBondContact O-N 3.23Å; A314-L318 VanDerWaalsContact O-CB 3.29Å; A314-L318 WeakPolarHBondContact O-CB 3.28Å; A314-L318 PolarHBondContact O-N 3.28Å
315M98.3Very high97.2Very high3 Ų320.6 Ų20.62%0.01511%0.111CC..Hα-helixtrans-65.4-43.5175.5-69.7-170.1-76.200112.3L83 P98 L310 E311 G312 R317 L318 A319L83-M315 HydrophobicContact CD2-CB 4.14Å; L83-M315 HydrophobicContact CD2-CG 4.01Å; L83-M315 HydrophobicContact CD2-SD 4.43Å; P98-M315 HydrophobicContact CB-SD 4.4Å; P98-M315 HydrophobicContact CG-SD 4.08Å; L310-M315 HydrophobicContact CB-CG 4.02Å; L310-M315 HydrophobicContact CD1-CG 4.1Å; E311-M315 PolarHBondContact O-N 3.06Å; G312-M315 PolarHBondContact O-N 3.09Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 3.48Å; M315-L318 PolarHBondContact O-N 3.41Å; M315-A319 PolarHBondContact O-N 3.12Å
316E98.4Very high97.3Very high24 Ų2421.2 Ų21.211%0.11211%0.114CC..Hα-helixtrans-60.1-45.2173.7-69.6-67.9163.700111.6A66 S79 G312 L318 A319 V320A66-E316 HydrophobicContact CB-CB 4.08Å; A66-E316 VanDerWaalsContact O-CB 3.26Å; A66-E316 WeakPolarHBondContact O-CB 3.3Å; S79-E316 WeakPolarHBondContact CA-OE1 3.26Å; S79-E316 VanDerWaalsContact CB-OE1 3.31Å; S79-E316 WeakPolarHBondContact CB-OE1 3.36Å; S79-E316 VanDerWaalsContact OG-CG 3.3Å; S79-E316 WeakPolarHBondContact OG-CG 3.43Å; S79-E316 PolarHBondContact OG-OE1 3Å; G312-E316 WeakPolarHBondContact O-CG 3.42Å; G312-E316 PolarHBondContact O-N 3.26Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.43Å; E316-A319 PolarHBondContact O-N 3.01Å; E316-V320 PolarHBondContact O-N 3.38Å
317R98Very high97.4Very high26 Ų2623.3 Ų23.310%0.09812%0.124CC..Hα-helixtrans-60.1-42.7177.3-168.4-170.9-82.4152.4-12.1111.2M63 Q64 M67 V274 G313 A314 M315 V320 G321M63-R317 HydrophobicContact CB-CG 3.66Å; M63-R317 HydrophobicContact CE-CG 3.72Å; M63-R317 HydrophobicContact CG-CG 4.1Å; Q64-R317 VanDerWaalsContact OE1-NH2 3.07Å; M67-R317 HydrophobicContact CB-CB 4.47Å; M67-R317 PolarHBondContact SD-NH2 2.86Å; V274-R317 HydrophobicContact CG1-CB 4.33Å; V274-R317 HydrophobicContact CG1-CG 3.91Å; G313-R317 VanDerWaalsContact O-CB 3.3Å; G313-R317 WeakPolarHBondContact O-CB 3.16Å; G313-R317 PolarHBondContact O-N 2.87Å; A314-R317 PolarHBondContact O-N 3.23Å; M315-R317 VanDerWaalsContact C-N 3.34Å; M315-R317 PolarHBondContact O-N 3.48Å; R317-V320 PolarHBondContact O-N 3.1Å; R317-G321 PolarHBondContact O-N 3.19Å
318L98.5Very high97.4Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-64.6-45.2177.9175.453.3000111.8L83 A268 A272 V274 L279 A314 M315 E316 V320 G321 L322L83-L318 HydrophobicContact CD1-CB 4.23Å; L83-L318 HydrophobicContact CD1-CD2 3.87Å; L83-L318 HydrophobicContact CD1-CG 3.64Å; L83-L318 HydrophobicContact CD2-CD2 3.93Å; L83-L318 HydrophobicContact CD2-CG 4.49Å; A268-L318 HydrophobicContact CB-CD1 3.21Å; A268-L318 HydrophobicContact CB-CD2 4.15Å; A268-L318 HydrophobicContact CB-CG 4.33Å; A272-L318 HydrophobicContact CB-CD1 3.67Å; V274-L318 HydrophobicContact CG1-CB 4.08Å; V274-L318 HydrophobicContact CG1-CD1 4.31Å; V274-L318 HydrophobicContact CG2-CD1 4.08Å; L279-L318 HydrophobicContact CD2-CD2 4.13Å; L279-L318 HydrophobicContact CG-CD2 4.26Å; A314-L318 VanDerWaalsContact O-CB 3.29Å; A314-L318 WeakPolarHBondContact O-CB 3.28Å; A314-L318 PolarHBondContact O-N 3.28Å; M315-L318 PolarHBondContact O-N 3.41Å; E316-L318 VanDerWaalsContact C-N 3.29Å; E316-L318 PolarHBondContact O-N 3.43Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 2.92Å; L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.13Å; L318-L322 HydrophobicContact CD1-CD1 4.48Å; L318-L322 HydrophobicContact CD1-CD2 4.32Å; L318-L322 HydrophobicContact CD1-CG 4.05Å; L318-L322 WeakPolarHBondContact O-CG 3.13Å; L318-L322 PolarHBondContact O-N 2.67Å
319A98.5Very high97.4Very high6 Ų630 Ų305%0.0516%0.163CC..Hα-helixtrans-53-48.4175.700000111.6L83 M315 E316 Y323L83-A319 HydrophobicContact CD1-CB 4.42Å; M315-A319 PolarHBondContact O-N 3.12Å; E316-A319 PolarHBondContact O-N 3.01Å; A319-Y323 WeakPolarHBondContact O-CD2 3.5Å
320V98.5Very high97.5Very high32 Ų3230.9 Ų30.919%0.19415%0.152CC..Hα-helixtrans-66.7-44.9175.8175.40000111.8M63 A66 E316 R317 L318 L322 Y323 D324M63-V320 HydrophobicContact CG-CB 4.25Å; M63-V320 HydrophobicContact CG-CG1 3.91Å; A66-V320 HydrophobicContact CB-CB 4.4Å; A66-V320 HydrophobicContact CB-CG2 3.58Å; E316-V320 PolarHBondContact O-N 3.38Å; R317-V320 PolarHBondContact O-N 3.1Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 2.92Å; V320-L322 VanDerWaalsContact C-N 3.25Å; V320-L322 PolarHBondContact O-N 3.32Å; V320-Y323 PolarHBondContact O-N 3.35Å; V320-Y323 VanDerWaalsContact O-N 3.09Å; V320-D324 PolarHBondContact O-N 3.45Å
321G98.3Very high97.5Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-56.1-36.6-179.700000113.6A272 R317 L318 Y323 D324 G325A272-G321 WeakPolarHBondContact CA-O 3.21Å; A272-G321 VanDerWaalsContact O-CA 3.25Å; A272-G321 WeakPolarHBondContact O-CA 3.32Å; R317-G321 PolarHBondContact O-N 3.19Å; L318-G321 PolarHBondContact O-N 3.44Å; L318-G321 VanDerWaalsContact O-N 3.13Å; G321-Y323 VanDerWaalsContact C-N 3.33Å; G321-Y323 PolarHBondContact O-N 2.79Å; G321-D324 PolarHBondContact O-N 2.89Å; G321-G325 PolarHBondContact O-N 2.95Å
322L98.6Very high97.4Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-61.7-38.8177.1-70.7168.4000112.5L83 V87 I90 F91 F231 M266 A272 L279 L318 V320L83-L322 HydrophobicContact CD1-CD1 4.03Å; V87-L322 HydrophobicContact CG2-CD1 4.34Å; I90-L322 HydrophobicContact CD1-CB 3.56Å; F91-L322 HydrophobicContact CE2-CD2 4.17Å; F91-L322 HydrophobicContact CZ-CD2 4.16Å; F231-L322 HydrophobicContact CE1-CD2 4.22Å; F231-L322 HydrophobicContact CZ-CD2 4.43Å; M266-L322 HydrophobicContact CE-CD2 4.3Å; M266-L322 HydrophobicContact SD-CD2 4.04Å; A272-L322 HydrophobicContact CB-CD2 3.95Å; A272-L322 HydrophobicContact CB-CG 4.26Å; L279-L322 HydrophobicContact CD1-CD1 4.22Å; L279-L322 HydrophobicContact CD1-CD2 4.27Å; L318-L322 HydrophobicContact CD1-CD1 4.48Å; L318-L322 HydrophobicContact CD1-CD2 4.32Å; L318-L322 HydrophobicContact CD1-CG 4.05Å; L318-L322 WeakPolarHBondContact O-CG 3.13Å; L318-L322 PolarHBondContact O-N 2.67Å; V320-L322 VanDerWaalsContact C-N 3.25Å; V320-L322 PolarHBondContact O-N 3.32Å
323Y98.5Very high97.2Very high85 Ų8528.9 Ų28.933%0.33315%0.147SC..Hα-helixtrans-75.5-45175-72.8-76.7000111.8N89 I90 A319 V320 G321 G325 M326N89-Y323 WeakPolarHBondContact CB-OH 3.11Å; I90-Y323 HydrophobicContact CD1-CD1 4.06Å; I90-Y323 HydrophobicContact CD1-CD2 4.18Å; I90-Y323 HydrophobicContact CD1-CE1 3.93Å; I90-Y323 HydrophobicContact CD1-CE2 4.05Å; I90-Y323 HydrophobicContact CD1-CG 4.19Å; I90-Y323 HydrophobicContact CG1-CD1 4.33Å; I90-Y323 HydrophobicContact CG1-CE1 3.82Å; A319-Y323 WeakPolarHBondContact O-CD2 3.5Å; V320-Y323 PolarHBondContact O-N 3.35Å; V320-Y323 VanDerWaalsContact O-N 3.09Å; G321-Y323 VanDerWaalsContact C-N 3.33Å; G321-Y323 PolarHBondContact O-N 2.79Å; Y323-G325 PolarHBondContact O-N 3.18Å; Y323-M326 HydrophobicContact CD1-CE 3.9Å; Y323-M326 HydrophobicContact CE1-CE 4.41Å; Y323-M326 PolarHBondContact O-N 3.24Å
324D97.4Very high97.1Very high32 Ų3229.3 Ų29.317%0.17115%0.149CC..Hα-helixtrans-57.3-39.1178.3-84.9-1000111.3T60 M273 V320 G321 M326 N327 W330T60-D324 WeakPolarHBondContact CB-OD2 3.43Å; T60-D324 HydrophobicContact CG2-CB 4.33Å; T60-D324 WeakPolarHBondContact CG2-OD2 3.39Å; T60-D324 PolarHBondContact OG1-OD2 2.97Å; M273-D324 HydrophobicContact CE-CB 3.65Å; V320-D324 PolarHBondContact O-N 3.45Å; G321-D324 PolarHBondContact O-N 2.89Å; D324-M326 PolarHBondContact O-N 3.38Å; D324-N327 WeakPolarHBondContact O-CB 3.38Å; D324-N327 PolarHBondContact O-N 2.91Å; D324-N327 VanDerWaalsContact O-N 3.13Å; D324-W330 HydrophobicContact CB-CH2 4.41Å; D324-W330 HydrophobicContact CB-CZ3 3.8Å
325G96.9Very high97Very high6 Ų630 Ų306%0.06215%0.151CC..THydrogen-bonded Turntrans-64.3-22176.300000114.9A232 D271 G321 Y323 N327A232-G325 VanDerWaalsContact CB-O 3.23Å; A232-G325 WeakPolarHBondContact CB-O 3.15Å; D271-G325 VanDerWaalsContact O-CA 3.22Å; D271-G325 WeakPolarHBondContact O-CA 3.3Å; G321-G325 PolarHBondContact O-N 2.95Å; Y323-G325 PolarHBondContact O-N 3.18Å; G325-N327 VanDerWaalsContact C-N 3.33Å
326M98.2Very high96.9Very high17 Ų1732 Ų328%0.08417%0.168CC..THydrogen-bonded Turntrans-88.62.6176.2-65.1-169.1-6400113.5I90 F231 A232 I250 E251 Y323 D324 L328I90-M326 HydrophobicContact CB-CE 4.47Å; I90-M326 HydrophobicContact CD1-CE 3.8Å; I90-M326 HydrophobicContact CG1-CE 3.73Å; I90-M326 HydrophobicContact CG2-CE 3.99Å; I90-M326 HydrophobicContact CG2-SD 3.82Å; F231-M326 HydrophobicContact CE2-CG 3.64Å; F231-M326 HydrophobicContact CE2-SD 3.87Å; F231-M326 HydrophobicContact CZ-CG 3.98Å; A232-M326 HydrophobicContact CB-CG 4.18Å; I250-M326 HydrophobicContact CB-CB 4.35Å; I250-M326 HydrophobicContact CG2-CB 3.8Å; I250-M326 HydrophobicContact CG2-CG 3.98Å; I250-M326 HydrophobicContact CG2-SD 4.5Å; E251-M326 HydrophobicContact CB-CE 4.17Å; E251-M326 HydrophobicContact CB-SD 4.14Å; E251-M326 HydrophobicContact CG-CE 4.17Å; E251-M326 HydrophobicContact CG-SD 4.47Å; Y323-M326 HydrophobicContact CD1-CE 3.9Å; Y323-M326 HydrophobicContact CE1-CE 4.41Å; Y323-M326 PolarHBondContact O-N 3.24Å; D324-M326 PolarHBondContact O-N 3.38Å; M326-L328 PolarHBondContact O-N 2.93Å
327N97.2Very high96.8Very high60 Ų6031.3 Ų31.332%0.32117%0.165SC..  trans-62.9121.3178.7-176.4-60.6000111.1D324 G325 D329 W330 L331D324-N327 WeakPolarHBondContact O-CB 3.38Å; D324-N327 PolarHBondContact O-N 2.91Å; D324-N327 VanDerWaalsContact O-N 3.13Å; G325-N327 VanDerWaalsContact C-N 3.33Å; N327-D329 PolarHBondContact O-N 2.92Å; N327-D329 PolarHBondContact OD1-N 3.36Å; N327-W330 HydrophobicContact CB-CB 4.1Å; N327-W330 HydrophobicContact CB-CD2 4.06Å; N327-W330 HydrophobicContact CB-CE3 4.26Å; N327-W330 HydrophobicContact CB-CG 4.01Å; N327-W330 PolarHBondContact O-N 2.82Å; N327-W330 PolarHBondContact OD1-N 2.94Å; N327-L331 WeakPolarHBondContact O-CG 3.34Å; N327-L331 PolarHBondContact O-N 3.46Å
328L96.4Very high96.7Very high78 Ų7830 Ų3041%0.40816%0.161SC..Hα-helixtrans-61.4-40.9-174.5-178.462.4000113.2Y236 K239 I250 M326 W330 L331 A332Y236-L328 HydrophobicContact CD2-CD1 3.78Å; Y236-L328 HydrophobicContact CE2-CD1 3.73Å; K239-L328 HydrophobicContact CD-CD1 4.15Å; I250-L328 HydrophobicContact CD1-CD1 4.21Å; I250-L328 HydrophobicContact CG1-CD1 4.22Å; M326-L328 PolarHBondContact O-N 2.93Å; L328-W330 VanDerWaalsContact C-N 3.33Å; L328-L331 PolarHBondContact O-N 2.79Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.34Å
329D94.6Very high96.6Very high109 Ų10932.9 Ų32.958%0.58317%0.174SC*.Hα-helixtrans-69.5-35.1-178.8-66.5-35.9000110.9P10 N327 A332 Y333P10-D329 HydrophobicContact CB-CB 4.23Å; N327-D329 PolarHBondContact O-N 2.92Å; N327-D329 PolarHBondContact OD1-N 3.36Å; D329-A332 PolarHBondContact O-N 2.96Å; D329-Y333 WeakPolarHBondContact O-CB 3.27Å; D329-Y333 PolarHBondContact O-N 3.09Å
330W94.3Very high96.6Very high63 Ų6336 Ų3624%0.23919%0.185CC..Hα-helixtrans-70.9-41.3177.1-68.97.1000112P10 T60 M273 D324 N327 L328 Y333 R334P10-W330 PolarHBondContact O-NE1 3.46Å; T60-W330 HydrophobicContact CG2-CH2 3.22Å; T60-W330 HydrophobicContact CG2-CZ2 4.41Å; T60-W330 HydrophobicContact CG2-CZ3 3.43Å; T60-W330 VanDerWaalsContact CG2-CZ3 3.43Å; M273-W330 HydrophobicContact CE-CE3 3.84Å; M273-W330 HydrophobicContact CE-CZ3 3.58Å; M273-W330 HydrophobicContact SD-CE3 4.03Å; M273-W330 HydrophobicContact SD-CZ3 4.02Å; D324-W330 HydrophobicContact CB-CH2 4.41Å; D324-W330 HydrophobicContact CB-CZ3 3.8Å; N327-W330 HydrophobicContact CB-CB 4.1Å; N327-W330 HydrophobicContact CB-CD2 4.06Å; N327-W330 HydrophobicContact CB-CE3 4.26Å; N327-W330 HydrophobicContact CB-CG 4.01Å; N327-W330 PolarHBondContact O-N 2.82Å; N327-W330 PolarHBondContact OD1-N 2.94Å; L328-W330 VanDerWaalsContact C-N 3.33Å; W330-Y333 PolarHBondContact O-N 3.16Å; W330-R334 VanDerWaalsContact O-CB 3.27Å; W330-R334 WeakPolarHBondContact O-CB 3.5Å; W330-R334 PolarHBondContact O-N 2.65Å
331L96.7Very high96.5Very high5 Ų534.5 Ų34.53%0.02618%0.176CC..Hα-helixtrans-61.3-48.4172.7-69.4163.6000110.1A232 E233 Y236 I250 N327 L328 Y333 R334 I335A232-L331 HydrophobicContact CB-CD1 4.29Å; A232-L331 HydrophobicContact CB-CD2 4.03Å; E233-L331 HydrophobicContact CG-CD2 4.34Å; Y236-L331 HydrophobicContact CD2-CB 3.69Å; Y236-L331 HydrophobicContact CE2-CB 4.28Å; Y236-L331 HydrophobicContact CG-CB 3.96Å; I250-L331 HydrophobicContact CB-CD1 4.45Å; I250-L331 HydrophobicContact CD1-CD1 4.1Å; I250-L331 HydrophobicContact CG1-CD1 3.86Å; I250-L331 HydrophobicContact CG2-CD1 3.9Å; N327-L331 WeakPolarHBondContact O-CG 3.34Å; N327-L331 PolarHBondContact O-N 3.46Å; L328-L331 PolarHBondContact O-N 2.79Å; L331-Y333 PolarHBondContact O-N 2.91Å; L331-R334 PolarHBondContact O-N 3.46Å; L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.37Å; L331-I335 PolarHBondContact O-N 3.13Å
332A95.1Very high96.5Very high32 Ų3234.5 Ų34.526%0.26418%0.176SC..Hα-helixtrans-58.5-47.2177.600000112.5Y236 L328 D329 A336Y236-A332 HydrophobicContact CE2-CB 4.05Å; Y236-A332 WeakPolarHBondContact OH-CA 3.32Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.34Å; D329-A332 PolarHBondContact O-N 2.96Å; A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 2.76Å
333Y94.4Very high96.5Very high23 Ų2338.2 Ų38.29%0.0920%0.195CC..Hα-helixtrans-57.9-50.6175.4162-100.7000112E9 P10 F11 D329 W330 L331 A336 Q337 Y427E9-Y333 HydrophobicContact CB-CE2 4.26Å; E9-Y333 HydrophobicContact CG-CE2 3.62Å; E9-Y333 WeakPolarHBondContact CG-OH 3.45Å; P10-Y333 VanDerWaalsContact CD-CG 3.47Å; P10-Y333 HydrophobicContact CG-CG 4.1Å; F11-Y333 AromaticContact CE1-CD1 3.99Å; F11-Y333 HydrophobicContact CE1-CD1 3.99Å; F11-Y333 AromaticContact CE1-CE1 3.57Å; F11-Y333 HydrophobicContact CE1-CE1 3.57Å; F11-Y333 AromaticContact CE1-CZ 3.93Å; F11-Y333 AromaticContact CZ-CE1 4Å; F11-Y333 HydrophobicContact CZ-CE1 4Å; D329-Y333 WeakPolarHBondContact O-CB 3.27Å; D329-Y333 PolarHBondContact O-N 3.09Å; W330-Y333 PolarHBondContact O-N 3.16Å; L331-Y333 PolarHBondContact O-N 2.91Å; Y333-A336 PolarHBondContact O-N 3.04Å; Y333-Q337 WeakPolarHBondContact O-CB 3.39Å; Y333-Q337 PolarHBondContact O-N 3.16Å; Y333-Q337 PolarHBondContact OH-NE2 3.37Å; Y333-Y427 PolarHBondContact OH-O 3.35Å
334R95Very high96.5Very high12 Ų1234.6 Ų34.65%0.04518%0.184CC..Hα-helixtrans-62.2-47.8-177.1175.1175.4175.475-2.7111.9D53 E233 W330 L331 A336 Q337 V338 I422 R424D53-R334 IonicContact OD2-CZ 3.06Å; D53-R334 IonicContact OD2-NH2 3.63Å; D53-R334 PolarHBondContact OD2-NH2 2.91Å; E233-R334 IonicContact OE1-CZ 3.65Å; E233-R334 IonicContact OE1-NE 3.62Å; E233-R334 PolarHBondContact OE1-NE 2.97Å; E233-R334 IonicContact OE1-NH2 2.81Å; E233-R334 PolarHBondContact OE1-NH2 2.96Å; W330-R334 VanDerWaalsContact O-CB 3.27Å; W330-R334 WeakPolarHBondContact O-CB 3.5Å; W330-R334 PolarHBondContact O-N 2.65Å; L331-R334 PolarHBondContact O-N 3.46Å; R334-A336 VanDerWaalsContact C-N 3.33Å; R334-Q337 PolarHBondContact O-N 3.21Å; R334-V338 PolarHBondContact O-N 3.43Å; R334-V338 VanDerWaalsContact O-N 3.15Å; R334-I422 PolarHBondContact NH1-O 3.31Å; R334-R424 VanDerWaalsContact NH2-CZ 3.32Å; R334-R424 VanDerWaalsContact NH2-NH1 3.11Å
335I95.9Very high96.5Very high16 Ų1633 Ų338%0.08218%0.176CC..Hα-helixtrans-64.5-41.1178.9-61.9-44.8000110.5E233 Y236 F237 L331 Q337 V338 Q339 G357E233-I335 HydrophobicContact CG-CD1 4.39Å; Y236-I335 HydrophobicContact CD1-CB 4.36Å; Y236-I335 HydrophobicContact CD1-CG1 3.64Å; Y236-I335 HydrophobicContact CE1-CB 3.98Å; Y236-I335 HydrophobicContact CE1-CG1 3.78Å; Y236-I335 HydrophobicContact CE1-CG2 4.14Å; F237-I335 HydrophobicContact CE1-CG2 3.89Å; F237-I335 HydrophobicContact CE2-CD1 3.94Å; F237-I335 HydrophobicContact CZ-CD1 3.68Å; F237-I335 HydrophobicContact CZ-CG1 4.17Å; F237-I335 HydrophobicContact CZ-CG2 3.98Å; L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.37Å; L331-I335 PolarHBondContact O-N 3.13Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 2.77Å; I335-V338 PolarHBondContact O-N 3.2Å; I335-Q339 WeakPolarHBondContact O-CB 3.44Å; I335-Q339 PolarHBondContact O-N 2.83Å; I335-G357 VanDerWaalsContact CD1-CA 3.5Å; I335-G357 WeakPolarHBondContact CD1-O 3.39Å
336A95.1Very high96.6Very high45 Ų4535.7 Ų35.737%0.37219%0.186SC..Hα-helixtrans-63.8-34.8176.400000112.6A332 Y333 R334 Q339 Y340A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 2.76Å; Y333-A336 PolarHBondContact O-N 3.04Å; R334-A336 VanDerWaalsContact C-N 3.33Å; A336-Q339 PolarHBondContact O-N 3.18Å; A336-Y340 VanDerWaalsContact O-CB 3.3Å; A336-Y340 WeakPolarHBondContact O-CB 3.26Å; A336-Y340 PolarHBondContact O-N 2.81Å
337Q95.9Very high96.6Very high10 Ų1043.1 Ų43.15%0.04722%0.221CC..Hα-helixtrans-66.7-40.8175.6-170.7177.143.200112.1Y333 R334 I335 Y340 L341 I422 Y427 M432Y333-Q337 WeakPolarHBondContact O-CB 3.39Å; Y333-Q337 PolarHBondContact O-N 3.16Å; Y333-Q337 PolarHBondContact OH-NE2 3.37Å; R334-Q337 PolarHBondContact O-N 3.21Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 2.77Å; Q337-Y340 PolarHBondContact O-N 2.93Å; Q337-L341 PolarHBondContact O-N 3.16Å; Q337-L341 VanDerWaalsContact O-N 3.14Å; Q337-I422 HydrophobicContact CG-CD1 4.09Å; Q337-I422 VanDerWaalsContact OE1-CG2 3.28Å; Q337-Y427 PolarHBondContact NE2-O 2.73Å; Q337-M432 HydrophobicContact CG-CG 4.11Å; Q337-M432 HydrophobicContact CG-SD 4.24Å
338V97.4Very high96.7Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-64.5-45.6173.4177.20000110.5R334 I335 Y340 L341 V342 A355 A359 I422R334-V338 PolarHBondContact O-N 3.43Å; R334-V338 VanDerWaalsContact O-N 3.15Å; I335-V338 PolarHBondContact O-N 3.2Å; V338-Y340 VanDerWaalsContact C-N 3.33Å; V338-Y340 PolarHBondContact O-N 3.43Å; V338-L341 PolarHBondContact O-N 2.82Å; V338-V342 WeakPolarHBondContact O-CG2 3.39Å; V338-V342 PolarHBondContact O-N 3.42Å; V338-A355 HydrophobicContact CG1-CB 4.22Å; V338-A359 VanDerWaalsContact CG1-O 3.29Å; V338-A359 WeakPolarHBondContact CG1-O 3.48Å; V338-I422 HydrophobicContact CB-CD1 4.43Å; V338-I422 HydrophobicContact CG2-CD1 3.81Å; V338-I422 HydrophobicContact CG2-CG1 4.44Å
339Q96.6Very high96.7Very high60 Ų6040.2 Ų40.228%0.2822%0.216SC..Hα-helixtrans-58.3-45.2176.6-174.966.565.200111.5I335 A336 L341 V342 D343 A355I335-Q339 WeakPolarHBondContact O-CB 3.44Å; I335-Q339 PolarHBondContact O-N 2.83Å; A336-Q339 PolarHBondContact O-N 3.18Å; Q339-L341 PolarHBondContact O-N 3Å; Q339-V342 PolarHBondContact O-N 3.33Å; Q339-D343 PolarHBondContact NE2-OD1 3.1Å; Q339-D343 PolarHBondContact NE2-OD2 3.36Å; Q339-D343 WeakPolarHBondContact O-CB 3.22Å; Q339-D343 PolarHBondContact O-N 3Å; Q339-A355 HydrophobicContact CB-CB 4.18Å; Q339-A355 VanDerWaalsContact OE1-CB 3.29Å
340Y96.8Very high96.9Very high71 Ų7135.1 Ų35.128%0.27819%0.189SC..Hα-helixtrans-57.5-46.1177.4-177.4-99.4000112.6A336 Q337 V338 G344 Q429 M432 D433 I436A336-Y340 VanDerWaalsContact O-CB 3.3Å; A336-Y340 WeakPolarHBondContact O-CB 3.26Å; A336-Y340 PolarHBondContact O-N 2.81Å; Q337-Y340 PolarHBondContact O-N 2.93Å; V338-Y340 VanDerWaalsContact C-N 3.33Å; V338-Y340 PolarHBondContact O-N 3.43Å; Y340-G344 PolarHBondContact O-N 2.89Å; Y340-Q429 HydrophobicContact CD1-CG 4.03Å; Y340-Q429 HydrophobicContact CE1-CG 3.55Å; Y340-Q429 PolarHBondContact OH-NE2 3.14Å; Y340-M432 HydrophobicContact CD1-CB 3.8Å; Y340-M432 HydrophobicContact CD1-CG 4.32Å; Y340-M432 HydrophobicContact CE1-CB 3.94Å; Y340-D433 WeakPolarHBondContact CE1-OD1 3.17Å; Y340-D433 PolarHBondContact OH-OD1 3Å; Y340-I436 HydrophobicContact CE1-CD1 4.35Å
341L98.2Very high97.1Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-64.4-43.5177.8178.759.1000111.6Q337 V338 Q339 L345 A360 L420 I422 M432 I435 I436Q337-L341 PolarHBondContact O-N 3.16Å; Q337-L341 VanDerWaalsContact O-N 3.14Å; V338-L341 PolarHBondContact O-N 2.82Å; Q339-L341 PolarHBondContact O-N 3Å; L341-L345 HydrophobicContact CD1-CD1 4Å; L341-L345 HydrophobicContact CD1-CG 4.17Å; L341-L345 HydrophobicContact CG-CD1 3.99Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.31Å; L341-A360 HydrophobicContact CB-CB 4.49Å; L341-A360 HydrophobicContact CD2-CB 3.73Å; L341-A360 HydrophobicContact CG-CB 3.89Å; L341-L420 HydrophobicContact CD2-CB 4.24Å; L341-L420 HydrophobicContact CD2-CD1 4.19Å; L341-I422 HydrophobicContact CD2-CD1 4.19Å; L341-M432 HydrophobicContact CB-SD 4.09Å; L341-M432 HydrophobicContact CD1-SD 4.43Å; L341-M432 HydrophobicContact CD2-SD 3.97Å; L341-M432 HydrophobicContact CG-SD 4.39Å; L341-I435 HydrophobicContact CD1-CB 4.08Å; L341-I435 HydrophobicContact CD1-CG2 3.76Å; L341-I436 HydrophobicContact CD1-CD1 4.48Å; L341-I436 HydrophobicContact CD1-CG1 3.95Å
342V98.2Very high97.1Very high0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-61.8-48.5177.31700000111.1V338 Q339 G344 L345 E346 C352 A355 A360V338-V342 WeakPolarHBondContact O-CG2 3.39Å; V338-V342 PolarHBondContact O-N 3.42Å; Q339-V342 PolarHBondContact O-N 3.33Å; V342-G344 VanDerWaalsContact C-N 3.34Å; V342-G344 PolarHBondContact O-N 2.88Å; V342-L345 PolarHBondContact O-N 3.25Å; V342-E346 HydrophobicContact CG1-CG 4.38Å; V342-E346 WeakPolarHBondContact O-CG 3.27Å; V342-E346 PolarHBondContact O-N 2.84Å; V342-C352 HydrophobicContact CG1-CB 4Å; V342-A355 HydrophobicContact CB-CB 4.13Å; V342-A355 HydrophobicContact CG1-CB 4.42Å; V342-A355 HydrophobicContact CG2-CB 3.93Å; V342-A360 HydrophobicContact CG2-CB 3.61Å
343D97.8Very high97.2Very high78 Ų7833.2 Ų33.242%0.41718%0.181SC..Hα-helixtrans-60.3-44.5-179.3-67.6-18.2000111.3Q339 L345 E346 E347Q339-D343 PolarHBondContact NE2-OD1 3.1Å; Q339-D343 PolarHBondContact NE2-OD2 3.36Å; Q339-D343 WeakPolarHBondContact O-CB 3.22Å; Q339-D343 PolarHBondContact O-N 3Å; D343-L345 PolarHBondContact O-N 2.9Å; D343-E346 PolarHBondContact O-N 2.71Å; D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.48Å
344G98.3Very high97.4Very high9 Ų932.9 Ų32.99%0.09318%0.18CC..Hα-helixtrans-66.9-33.2178.400000113.8Y340 V342 I348 I436Y340-G344 PolarHBondContact O-N 2.89Å; V342-G344 VanDerWaalsContact C-N 3.34Å; V342-G344 PolarHBondContact O-N 2.88Å; G344-I348 PolarHBondContact O-N 2.85Å; G344-I436 WeakPolarHBondContact O-CG2 3.47Å
345L98.7Very high97.5Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-70.3-42.5172.9-71169.9000111.5L341 V342 D343 E347 I348 G349 V350 A360 V362 L420 I436 F439L341-L345 HydrophobicContact CD1-CD1 4Å; L341-L345 HydrophobicContact CD1-CG 4.17Å; L341-L345 HydrophobicContact CG-CD1 3.99Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.31Å; V342-L345 PolarHBondContact O-N 3.25Å; D343-L345 PolarHBondContact O-N 2.9Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 2.83Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 WeakPolarHBondContact O-CG1 3.32Å; L345-I348 PolarHBondContact O-N 3.37Å; L345-G349 PolarHBondContact O-N 2.97Å; L345-V350 HydrophobicContact CB-CB 4.32Å; L345-V350 WeakPolarHBondContact O-CB 3.1Å; L345-V350 PolarHBondContact O-N 3.43Å; L345-A360 HydrophobicContact CD1-CB 4.26Å; L345-V362 HydrophobicContact CD1-CG2 3.96Å; L345-L420 HydrophobicContact CD1-CD1 3.92Å; L345-I436 HydrophobicContact CG-CG1 4.46Å; L345-F439 HydrophobicContact CD2-CB 3.58Å; L345-F439 HydrophobicContact CD2-CD1 4.17Å; L345-F439 HydrophobicContact CD2-CD2 3.49Å; L345-F439 VanDerWaalsContact CD2-CD2 3.49Å; L345-F439 HydrophobicContact CD2-CE2 4.2Å; L345-F439 HydrophobicContact CD2-CG 3.47Å; L345-F439 VanDerWaalsContact CD2-CG 3.47Å
346E98.1Very high97.4Very high61 Ų6131.7 Ų31.729%0.28518%0.175SC..Hα-helixtrans-66.2-35.6176.8-72.4-174.4132.900112.1R164 V342 D343 I348 G349 V350 C352R164-E346 IonicContact CZ-OE1 2.77Å; R164-E346 IonicContact CZ-OE2 3.41Å; R164-E346 IonicContact NH2-OE1 3.37Å; R164-E346 PolarHBondContact NH2-OE1 2.79Å; R164-E346 IonicContact NH2-OE2 2.79Å; R164-E346 PolarHBondContact NH2-OE2 3.17Å; V342-E346 HydrophobicContact CG1-CG 4.38Å; V342-E346 WeakPolarHBondContact O-CG 3.27Å; V342-E346 PolarHBondContact O-N 2.84Å; D343-E346 PolarHBondContact O-N 2.71Å; E346-I348 VanDerWaalsContact C-N 3.28Å; E346-I348 PolarHBondContact O-N 2.91Å; E346-G349 VanDerWaalsContact O-CA 3.32Å; E346-G349 WeakPolarHBondContact O-CA 3.22Å; E346-G349 PolarHBondContact O-N 2.99Å; E346-V350 WeakPolarHBondContact CA-O 3.26Å; E346-C352 HydrophobicContact CG-CB 4.21Å
347E98.3Very high97.3Very high173 Ų17329.6 Ų29.681%0.80816%0.158SC*.Hα-helixtrans-59.9-36.7176-174.2178.1-179.100112.2D343 L345 G349D343-E347 WeakPolarHBondContact O-CB 3.39Å; D343-E347 PolarHBondContact O-N 3.48Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-E347 PolarHBondContact O-N 2.83Å; E347-G349 PolarHBondContact O-N 3.49Å
348I98.2Very high97.4Very high35 Ų3529.1 Ų29.118%0.17916%0.155CC..THydrogen-bonded Turntrans-84.27.3174.567.1166000112.6G344 L345 E346 V350 I436 F439 K440 K443G344-I348 PolarHBondContact O-N 2.85Å; L345-I348 HydrophobicContact CD2-CD1 4.45Å; L345-I348 WeakPolarHBondContact O-CG1 3.32Å; L345-I348 PolarHBondContact O-N 3.37Å; E346-I348 VanDerWaalsContact C-N 3.28Å; E346-I348 PolarHBondContact O-N 2.91Å; I348-V350 HydrophobicContact CD1-CG2 4.02Å; I348-V350 HydrophobicContact CG1-CG2 4.04Å; I348-I436 HydrophobicContact CD1-CG2 4.3Å; I348-I436 WeakPolarHBondContact CD1-O 3.29Å; I348-I436 HydrophobicContact CG2-CG2 4.19Å; I348-F439 HydrophobicContact CD1-CB 3.79Å; I348-K440 HydrophobicContact CB-CG 4.34Å; I348-K440 HydrophobicContact CD1-CG 3.8Å; I348-K440 HydrophobicContact CG2-CD 4.36Å; I348-K440 VanDerWaalsContact CG2-CE 3.41Å; I348-K440 HydrophobicContact CG2-CG 4.04Å; I348-K443 PolarHBondContact O-NZ 3.38Å
349G97.6Very high97.4Very high43 Ų4329.1 Ų29.144%0.44316%0.156SC..THydrogen-bonded Turntrans72.634.1177.800000113.9L345 E346 E347 K443L345-G349 PolarHBondContact O-N 2.97Å; E346-G349 VanDerWaalsContact O-CA 3.32Å; E346-G349 WeakPolarHBondContact O-CA 3.22Å; E346-G349 PolarHBondContact O-N 2.99Å; E347-G349 PolarHBondContact O-N 3.49Å; G349-K443 PolarHBondContact O-NZ 3.01Å
350V98.2Very high97.5Very high2 Ų226.3 Ų26.31%0.01214%0.142CC..  trans-96.3115.3166.5173.90000107.8L345 E346 I348 C352 V362 F439 K443L345-V350 HydrophobicContact CB-CB 4.32Å; L345-V350 WeakPolarHBondContact O-CB 3.1Å; L345-V350 PolarHBondContact O-N 3.43Å; E346-V350 WeakPolarHBondContact CA-O 3.26Å; I348-V350 HydrophobicContact CD1-CG2 4.02Å; I348-V350 HydrophobicContact CG1-CG2 4.04Å; V350-C352 PolarHBondContact O-N 3.15Å; V350-V362 HydrophobicContact CG1-CB 4.35Å; V350-V362 HydrophobicContact CG1-CG1 3.46Å; V350-V362 VanDerWaalsContact CG1-CG1 3.46Å; V350-V362 HydrophobicContact CG1-CG2 4.02Å; V350-F439 HydrophobicContact CG1-CD1 4.37Å; V350-F439 HydrophobicContact CG2-CD1 4.38Å; V350-K443 HydrophobicContact CG2-CD 4.25Å
351V97.9Very high97.6Very high59 Ų5923 Ų2336%0.35813%0.129SC..  trans-69.2127.6-179.3-178.10000109.5D363 K366V351-D363 HydrophobicContact CB-CB 4.26Å; V351-D363 HydrophobicContact CG1-CB 4.13Å; V351-D363 WeakPolarHBondContact O-CB 3.5Å; V351-D363 PolarHBondContact O-N 3.16Å; V351-K366 HydrophobicContact CB-CD 4.29Å; V351-K366 HydrophobicContact CG1-CD 3.92Å; V351-K366 HydrophobicContact CG2-CD 4.42Å
352C98.2Very high97.6Very high0 Ų023 Ų230%013%0.129CC..BIsolated β-bridgetrans-121.2157.9177.8-63.70000110.4V342 E346 V350 F361V342-C352 HydrophobicContact CG1-CB 4Å; E346-C352 HydrophobicContact CG-CB 4.21Å; V350-C352 PolarHBondContact O-N 3.15Å; C352-F361 CarbonylContact C-O 3.54Å; C352-F361 VanDerWaalsContact CA-O 3.25Å; C352-F361 WeakPolarHBondContact CA-O 3.44Å
353Q97.5Very high97.6Very high1 Ų123.5 Ų23.51%0.00513%0.132CC..PPolyproline II helixtrans-63.1147.9156.7-178.861.1-78.300109.1A158 T161 A200 Q203 A355 F361A158-Q353 PolarHBondContact O-NE2 3.39Å; T161-Q353 HydrophobicContact CG2-CB 4.26Å; A200-Q353 PolarHBondContact O-NE2 2.88Å; Q203-Q353 HydrophobicContact CG-CG 4.43Å; Q353-A355 PolarHBondContact O-N 2.99Å; Q353-F361 HydrophobicContact CB-CB 3.9Å; Q353-F361 PolarHBondContact N-O 2.87Å
354Q97.3Very high97.7Very high16 Ų1619.8 Ų19.88%0.07511%0.112CC..PPolyproline II helixtrans-46.5136.5169.5173.9176.2-29.600110.7R164 Y165 Q203 G356R164-Q354 VanDerWaalsContact CA-OE1 3.23Å; Y165-Q354 PolarHBondContact O-NE2 2.86Å; Y165-Q354 PolarHBondContact O-OE1 3.48Å; Q203-Q354 PolarHBondContact NE2-O 3.32Å; Q354-G356 PolarHBondContact O-N 3.19Å
355A97.1Very high97.6Very high2 Ų220.6 Ų20.62%0.01712%0.121CC..PPolyproline II helixtrans-53.7118.7179.600000111.8V338 Q339 V342 Q353V338-A355 HydrophobicContact CG1-CB 4.22Å; Q339-A355 HydrophobicContact CB-CB 4.18Å; Q339-A355 VanDerWaalsContact OE1-CB 3.29Å; V342-A355 HydrophobicContact CB-CB 4.13Å; V342-A355 HydrophobicContact CG1-CB 4.42Å; V342-A355 HydrophobicContact CG2-CB 3.93Å; Q353-A355 PolarHBondContact O-N 2.99Å
356G94.6Very high97.6Very high1 Ų125.5 Ų25.51%0.0114%0.142CC..  trans-98.9-156.7173.700000111.5G202 Q354G202-G356 CarbonylContact O-C 3.51Å; G202-G356 VanDerWaalsContact O-CA 3.29Å; G202-G356 WeakPolarHBondContact O-CA 3.35Å; Q354-G356 PolarHBondContact O-N 3.19Å
357G93.5Very high97.6Very high0 Ų024 Ų240%014%0.136CC..SBendtrans-73.3-41.9-171.700000116.4G202 E233 I335G202-G357 PolarHBondContact O-N 3.37Å; E233-G357 WeakPolarHBondContact OE2-CA 3.15Å; I335-G357 VanDerWaalsContact CD1-CA 3.5Å; I335-G357 WeakPolarHBondContact CD1-O 3.39Å
358H96.8Very high97.6Very high0 Ų015.7 Ų15.70%010%0.097CC..SBendtrans-127.8-12.5-159.663.6-85.9000115.6N198 G202 R230 F361 I422N198-H358 PolarHBondContact OD1-NE2 2.7Å; G202-H358 WeakPolarHBondContact CA-CE1 3.49Å; R230-H358 WeakPolarHBondContact CD-ND1 3.47Å; R230-H358 VanDerWaalsContact CZ-CD2 3.45Å; R230-H358 VanDerWaalsContact CZ-CG 3.45Å; R230-H358 VanDerWaalsContact NE-CG 3.29Å; R230-H358 PolarHBondContact NE-ND1 3.35Å; R230-H358 PolarHBondContact NH2-CD2 3.48Å; R230-H358 VanDerWaalsContact NH2-CD2 3.29Å; H358-F361 AromaticContact NE2-CE2 3.93Å; H358-F361 AromaticContact NE2-CZ 3.81Å; H358-I422 PolarHBondContact O-N 3.05Å
359A98Very high97.6Very high1 Ų119 Ų191%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-158.3151.5-170.300000111.7V338 F361 R419 L420V338-A359 VanDerWaalsContact CG1-O 3.29Å; V338-A359 WeakPolarHBondContact CG1-O 3.48Å; A359-F361 HydrophobicContact CB-CD2 4Å; A359-F361 HydrophobicContact CB-CE2 3.61Å; A359-F361 HydrophobicContact CB-CZ 4.38Å; A359-R419 HydrophobicContact CB-CG 3.53Å; A359-L420 WeakPolarHBondContact CA-O 3.36Å; A359-L420 VanDerWaalsContact CB-O 3.26Å; A359-L420 WeakPolarHBondContact CB-O 3.33Å
360A98.4Very high97.6Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-82.5134.4159.400000108.6L341 V342 L345 L420L341-A360 HydrophobicContact CB-CB 4.49Å; L341-A360 HydrophobicContact CD2-CB 3.73Å; L341-A360 HydrophobicContact CG-CB 3.89Å; V342-A360 HydrophobicContact CG2-CB 3.61Å; L345-A360 HydrophobicContact CD1-CB 4.26Å; A360-L420 HydrophobicContact CB-CB 4.31Å; A360-L420 HydrophobicContact CB-CD1 4.33Å; A360-L420 PolarHBondContact N-O 3.4Å; A360-L420 PolarHBondContact O-N 2.74Å
361F98.5Very high97.6Very high2 Ų221.8 Ų21.81%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-114.8106.4176.2-74.1-110.1000108.7N198 G201 C352 Q353 H358 A359 I396 L417 L418 R419N198-F361 WeakPolarHBondContact O-CZ 3.41Å; G201-F361 VanDerWaalsContact CA-CD2 3.42Å; G201-F361 VanDerWaalsContact CA-CZ 3.47Å; C352-F361 CarbonylContact C-O 3.54Å; C352-F361 VanDerWaalsContact CA-O 3.25Å; C352-F361 WeakPolarHBondContact CA-O 3.44Å; Q353-F361 HydrophobicContact CB-CB 3.9Å; Q353-F361 PolarHBondContact N-O 2.87Å; H358-F361 AromaticContact NE2-CE2 3.93Å; H358-F361 AromaticContact NE2-CZ 3.81Å; A359-F361 HydrophobicContact CB-CD2 4Å; A359-F361 HydrophobicContact CB-CE2 3.61Å; A359-F361 HydrophobicContact CB-CZ 4.38Å; F361-I396 HydrophobicContact CD1-CG1 4.5Å; F361-I396 HydrophobicContact CE1-CB 4.14Å; F361-I396 HydrophobicContact CE1-CG1 3.86Å; F361-I396 HydrophobicContact CE1-CG2 4.25Å; F361-L417 HydrophobicContact CB-CB 4.42Å; F361-L417 HydrophobicContact CB-CD1 4.32Å; F361-L417 HydrophobicContact CD1-CB 3.96Å; F361-L417 HydrophobicContact CD1-CD1 3.85Å; F361-L417 HydrophobicContact CG-CD1 4.47Å; F361-L418 CarbonylContact C-O 3.6Å; F361-L418 WeakPolarHBondContact CA-O 3.35Å; F361-R419 HydrophobicContact CD1-CB 3.87Å; F361-R419 HydrophobicContact CD1-CG 4.04Å; F361-R419 HydrophobicContact CD2-CG 4.25Å; F361-R419 HydrophobicContact CE1-CB 3.72Å; F361-R419 HydrophobicContact CE1-CG 3.6Å; F361-R419 HydrophobicContact CE2-CG 3.81Å; F361-R419 HydrophobicContact CG-CB 4.44Å; F361-R419 HydrophobicContact CG-CG 4.37Å; F361-R419 HydrophobicContact CZ-CB 4.13Å; F361-R419 HydrophobicContact CZ-CG 3.46Å; F361-R419 VanDerWaalsContact CZ-CG 3.46Å
362V98.6Very high97.6Very high0 Ų021.7 Ų21.70%012%0.123CC..EExtended strand (participates in β ladder)trans-79133.5176.6172.70000109.2L345 V350 A364 L367 L381 L417 L418 L420 F439L345-V362 HydrophobicContact CD1-CG2 3.96Å; V350-V362 HydrophobicContact CG1-CB 4.35Å; V350-V362 HydrophobicContact CG1-CG1 3.46Å; V350-V362 VanDerWaalsContact CG1-CG1 3.46Å; V350-V362 HydrophobicContact CG1-CG2 4.02Å; V362-A364 VanDerWaalsContact C-N 3.35Å; V362-A364 PolarHBondContact O-N 3.44Å; V362-L367 HydrophobicContact CG1-CD2 4.33Å; V362-L381 HydrophobicContact CG1-CD2 3.99Å; V362-L417 CarbonylContact O-C 3.57Å; V362-L417 VanDerWaalsContact O-CA 3.29Å; V362-L417 WeakPolarHBondContact O-CA 3.44Å; V362-L418 HydrophobicContact CB-CB 4.28Å; V362-L418 PolarHBondContact N-O 3.39Å; V362-L418 PolarHBondContact O-N 3.29Å; V362-L420 HydrophobicContact CG2-CD1 4.2Å; V362-F439 HydrophobicContact CB-CE1 4.49Å; V362-F439 HydrophobicContact CG1-CE1 4.21Å; V362-F439 HydrophobicContact CG2-CE1 3.93Å; V362-F439 HydrophobicContact CG2-CZ 3.9Å
363D98.5Very high97.6Very high11 Ų1123.9 Ų23.96%0.05914%0.141CC..EExtended strand (participates in β ladder)trans-77.286174.4-166.7-32.8000109.6T161 V351 G365 K366 L367 L417T161-D363 HydrophobicContact CG2-CB 4.38Å; T161-D363 PolarHBondContact OG1-OD2 3.48Å; V351-D363 HydrophobicContact CB-CB 4.26Å; V351-D363 HydrophobicContact CG1-CB 4.13Å; V351-D363 WeakPolarHBondContact O-CB 3.5Å; V351-D363 PolarHBondContact O-N 3.16Å; D363-G365 PolarHBondContact O-N 2.94Å; D363-G365 PolarHBondContact OD1-N 2.98Å; D363-K366 HydrophobicContact CB-CB 4.24Å; D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 HydrophobicContact CB-CG 4.47Å; D363-K366 PolarHBondContact O-N 3.24Å; D363-K366 WeakPolarHBondContact OD1-CG 3.26Å; D363-K366 PolarHBondContact OD1-N 2.97Å; D363-K366 WeakPolarHBondContact OD2-CD 3.36Å; D363-K366 VanDerWaalsContact OD2-CE 3.23Å; D363-K366 WeakPolarHBondContact OD2-CE 3.42Å; D363-K366 IonicContact OD2-NZ 3.41Å; D363-L367 PolarHBondContact O-N 2.95Å; D363-L417 HydrophobicContact CB-CD2 4.48Å
364A98.6Very high97.5Very high0 Ų028.9 Ų28.90%017%0.168CC..Hα-helixtrans-66.5-29.8-17800000111.9V362 K366 L367 L368 A378 L381 E416V362-A364 VanDerWaalsContact C-N 3.35Å; V362-A364 PolarHBondContact O-N 3.44Å; A364-K366 VanDerWaalsContact C-N 3.34Å; A364-L367 PolarHBondContact O-N 2.92Å; A364-L368 WeakPolarHBondContact O-CB 3.46Å; A364-L368 PolarHBondContact O-N 3.23Å; A364-A378 VanDerWaalsContact CB-CA 3.45Å; A364-A378 HydrophobicContact CB-CB 3.7Å; A364-L381 HydrophobicContact CB-CB 4.34Å; A364-L381 HydrophobicContact CB-CD2 3.66Å; A364-E416 WeakPolarHBondContact CA-O 3.37Å; A364-E416 WeakPolarHBondContact CB-O 3.5Å; A364-E416 PolarHBondContact N-O 3.34Å
365G97.8Very high97.5Very high26 Ų2631.1 Ų31.127%0.26818%0.178SC..Hα-helixtrans-62-40173.900000112.4D363 P369 E416D363-G365 PolarHBondContact O-N 2.94Å; D363-G365 PolarHBondContact OD1-N 2.98Å; G365-P369 WeakPolarHBondContact O-CA 3.32Å; G365-E416 PolarHBondContact N-O 3.13Å
366K97.5Very high97.6Very high103 Ų10331.3 Ų31.345%0.44818%0.178SC..Hα-helixtrans-76.1-32173.8-71.2-179.6-172.11680113.5T161 V351 D363 A364T161-K366 PolarHBondContact OG1-NZ 3.07Å; V351-K366 HydrophobicContact CB-CD 4.29Å; V351-K366 HydrophobicContact CG1-CD 3.92Å; V351-K366 HydrophobicContact CG2-CD 4.42Å; D363-K366 HydrophobicContact CB-CB 4.24Å; D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 HydrophobicContact CB-CG 4.47Å; D363-K366 PolarHBondContact O-N 3.24Å; D363-K366 WeakPolarHBondContact OD1-CG 3.26Å; D363-K366 PolarHBondContact OD1-N 2.97Å; D363-K366 WeakPolarHBondContact OD2-CD 3.36Å; D363-K366 VanDerWaalsContact OD2-CE 3.23Å; D363-K366 WeakPolarHBondContact OD2-CE 3.42Å; D363-K366 IonicContact OD2-NZ 3.41Å; A364-K366 VanDerWaalsContact C-N 3.34Å
367L98.2Very high97.8Very high28 Ų2831.3 Ų31.315%0.14718%0.178CC..Hα-helixtrans-74.3-33.2178-174.558.4000112.5V362 D363 A364 P369 L381 K443V362-L367 HydrophobicContact CG1-CD2 4.33Å; D363-L367 PolarHBondContact O-N 2.95Å; A364-L367 PolarHBondContact O-N 2.92Å; L367-P369 VanDerWaalsContact C-CD 3.41Å; L367-P369 WeakPolarHBondContact O-CD 3.42Å; L367-L381 HydrophobicContact CD2-CD1 3.7Å; L367-L381 HydrophobicContact CD2-CD2 3.87Å; L367-L381 HydrophobicContact CD2-CG 4.47Å; L367-K443 HydrophobicContact CD1-CG 4.39Å
368L98.5Very high98Very high0 Ų031.3 Ų31.30%018%0.178CC..  trans-124.260.5-176.7-52180000111.9A364 H370 I371 P377 L381 A446 I449A364-L368 WeakPolarHBondContact O-CB 3.46Å; A364-L368 PolarHBondContact O-N 3.23Å; L368-H370 PolarHBondContact O-N 3.14Å; L368-H370 VanDerWaalsContact O-N 3.1Å; L368-I371 HydrophobicContact CB-CD1 4.06Å; L368-I371 HydrophobicContact CB-CG1 4.39Å; L368-I371 HydrophobicContact CD1-CD1 3.95Å; L368-I371 PolarHBondContact O-N 3.49Å; L368-I371 VanDerWaalsContact O-N 3.09Å; L368-P377 HydrophobicContact CB-CB 4.2Å; L368-P377 WeakPolarHBondContact CD1-O 3.33Å; L368-L381 HydrophobicContact CD1-CB 3.9Å; L368-L381 HydrophobicContact CD1-CD1 4.15Å; L368-A446 HydrophobicContact CD2-CB 3.81Å; L368-A446 WeakPolarHBondContact CD2-O 3.32Å; L368-I449 HydrophobicContact CD1-CB 4.43Å; L368-I449 HydrophobicContact CD1-CD1 4.15Å; L368-I449 HydrophobicContact CD1-CG2 4.03Å; L368-I449 HydrophobicContact CD2-CB 4.28Å; L368-I449 HydrophobicContact CD2-CD1 3.74Å; L368-I449 HydrophobicContact CD2-CG1 4.44Å
369P97.9Very high98.1Very high103 Ų10331.3 Ų31.367%0.66918%0.178SC*.THydrogen-bonded Turntrans-66.9-15.2-172.429.4-37.1000114G365 L367 I371G365-P369 WeakPolarHBondContact O-CA 3.32Å; L367-P369 VanDerWaalsContact C-CD 3.41Å; L367-P369 WeakPolarHBondContact O-CD 3.42Å; P369-I371 VanDerWaalsContact C-N 3.34Å
370H98.3Very high98.2Very high95 Ų9531.4 Ų31.444%0.4418%0.179SC..THydrogen-bonded Turntrans-80.7-11.7176.861.3-68.7000113.6L368 A446 I449L368-H370 PolarHBondContact O-N 3.14Å; L368-H370 VanDerWaalsContact O-N 3.1Å; H370-A446 PolarHBondContact CE1-O 2.86Å; H370-I449 PolarHBondContact NE2-O 2.67Å
371I98.5Very high98.2Very high9 Ų931.4 Ų31.45%0.04618%0.179CC..SBendtrans-101.4113.5178-56.7175.7000108.8L368 P369 Q375 P377 A380 I449L368-I371 HydrophobicContact CB-CD1 4.06Å; L368-I371 HydrophobicContact CB-CG1 4.39Å; L368-I371 HydrophobicContact CD1-CD1 3.95Å; L368-I371 PolarHBondContact O-N 3.49Å; L368-I371 VanDerWaalsContact O-N 3.09Å; P369-I371 VanDerWaalsContact C-N 3.34Å; I371-Q375 HydrophobicContact CG2-CB 3.75Å; I371-P377 HydrophobicContact CB-CB 4.03Å; I371-P377 HydrophobicContact CG2-CB 4.01Å; I371-A380 HydrophobicContact CD1-CB 4.16Å; I371-I449 HydrophobicContact CD1-CB 4.46Å; I371-I449 HydrophobicContact CD1-CG2 4.02Å
372P97.6Very high98.2Very high58 Ų5831.3 Ų31.338%0.37718%0.179SC..  trans-68.5158.2178.330.4-35.8000111.7D374 Q375P372-D374 WeakPolarHBondContact CB-OD1 3.17Å; P372-D374 WeakPolarHBondContact CG-OD1 3.38Å; P372-D374 PolarHBondContact O-N 3.07Å; P372-Q375 HydrophobicContact CG-CB 4.15Å; P372-Q375 HydrophobicContact CG-CG 3.84Å; P372-Q375 CarbonylContact O-C 3.59Å; P372-Q375 WeakPolarHBondContact O-CA 3.49Å; P372-Q375 PolarHBondContact O-N 2.87Å
373A96.9Very high98.2Very high46 Ų4631.4 Ų31.438%0.3818%0.179SC..G310 helixtrans-59.4-30.9-174.300000114.1Q375 F376 S398 E416A373-Q375 PolarHBondContact O-N 3.42Å; A373-F376 PolarHBondContact O-N 3.49Å; A373-F376 VanDerWaalsContact O-N 3.15Å; A373-S398 WeakPolarHBondContact O-CB 3.33Å; A373-E416 HydrophobicContact CB-CG 4.5Å
374D96.3Very high98.2Very high106 Ų10631 Ų3157%0.56718%0.177SC*.G310 helixtrans-75.1-4.2175.668-26000113.8P372P372-D374 WeakPolarHBondContact CB-OD1 3.17Å; P372-D374 WeakPolarHBondContact CG-OD1 3.38Å; P372-D374 PolarHBondContact O-N 3.07Å
375Q98.3Very high98.2Very high63 Ų6331 Ų3129%0.29418%0.177SC..G310 helixtrans-111.312.9169.6-61.8-18019.200113I371 P372 A373 L452 V471I371-Q375 HydrophobicContact CG2-CB 3.75Å; P372-Q375 HydrophobicContact CG-CB 4.15Å; P372-Q375 HydrophobicContact CG-CG 3.84Å; P372-Q375 CarbonylContact O-C 3.59Å; P372-Q375 WeakPolarHBondContact O-CA 3.49Å; P372-Q375 PolarHBondContact O-N 2.87Å; A373-Q375 PolarHBondContact O-N 3.42Å; Q375-L452 WeakPolarHBondContact CA-O 3.37Å; Q375-L452 PolarHBondContact O-N 3.02Å; Q375-V471 HydrophobicContact CG-CG2 4.11Å
376F98.3Very high98.3Very high5 Ų529.8 Ų29.82%0.02216%0.164CC..  trans56.863.7164.5-42.4-58.9000115.1A373 A378 Q379 A380 F399 L452 F454 L468A373-F376 PolarHBondContact O-N 3.49Å; A373-F376 VanDerWaalsContact O-N 3.15Å; F376-A378 VanDerWaalsContact C-N 3.29Å; F376-A378 PolarHBondContact O-N 2.74Å; F376-Q379 HydrophobicContact CB-CB 3.78Å; F376-Q379 WeakPolarHBondContact O-CB 3.43Å; F376-Q379 PolarHBondContact O-N 3.36Å; F376-A380 PolarHBondContact O-N 2.82Å; F376-F399 HydrophobicContact CB-CB 4.17Å; F376-F399 HydrophobicContact CD1-CB 3.55Å; F376-F399 HydrophobicContact CD1-CD2 4.37Å; F376-F399 HydrophobicContact CD1-CG 4.35Å; F376-F399 HydrophobicContact CD2-CD2 4.4Å; F376-F399 HydrophobicContact CE1-CB 4.13Å; F376-F399 HydrophobicContact CE1-CD2 4.38Å; F376-F399 HydrophobicContact CE2-CD2 4.42Å; F376-F399 HydrophobicContact CG-CB 3.89Å; F376-F399 HydrophobicContact CG-CD2 4.38Å; F376-F399 HydrophobicContact CG-CG 4.37Å; F376-F399 HydrophobicContact CZ-CD2 4.41Å; F376-L452 HydrophobicContact CD2-CB 4.39Å; F376-F454 HydrophobicContact CE2-CD2 4.25Å; F376-F454 AromaticContact CE2-CE2 3.69Å; F376-F454 HydrophobicContact CE2-CE2 3.69Å; F376-F454 AromaticContact CE2-CZ 3.94Å; F376-F454 HydrophobicContact CE2-CZ 3.94Å; F376-F454 HydrophobicContact CZ-CD2 4.39Å; F376-F454 AromaticContact CZ-CE2 3.47Å; F376-F454 HydrophobicContact CZ-CE2 3.47Å; F376-F454 VanDerWaalsContact CZ-CE2 3.47Å; F376-F454 AromaticContact CZ-CZ 3.72Å; F376-F454 HydrophobicContact CZ-CZ 3.72Å; F376-L468 HydrophobicContact CD2-CD2 4.13Å; F376-L468 HydrophobicContact CE2-CD2 4.16Å
377P98.5Very high98.3Very high1 Ų126.2 Ų26.21%0.00615%0.149CC..Hα-helixtrans-56.3-39.5-177.920.5-31.6000113.3L368 I371 Q379 A380 L381 E416L368-P377 HydrophobicContact CB-CB 4.2Å; L368-P377 WeakPolarHBondContact CD1-O 3.33Å; I371-P377 HydrophobicContact CB-CB 4.03Å; I371-P377 HydrophobicContact CG2-CB 4.01Å; P377-Q379 VanDerWaalsContact C-N 3.35Å; P377-Q379 PolarHBondContact O-N 2.86Å; P377-A380 PolarHBondContact O-N 3.32Å; P377-L381 WeakPolarHBondContact O-CB 3.33Å; P377-L381 PolarHBondContact O-N 2.75Å; P377-E416 HydrophobicContact CG-CB 3.74Å; P377-E416 HydrophobicContact CG-CG 3.61Å
378A98.6Very high98.3Very high0 Ų026 Ų260%015%0.148CC..Hα-helixtrans-66.7-34.4178.100000113.2A364 F376 L381 A382 E395 E416 L417A364-A378 VanDerWaalsContact CB-CA 3.45Å; A364-A378 HydrophobicContact CB-CB 3.7Å; F376-A378 VanDerWaalsContact C-N 3.29Å; F376-A378 PolarHBondContact O-N 2.74Å; A378-L381 PolarHBondContact O-N 2.68Å; A378-A382 PolarHBondContact O-N 2.77Å; A378-E395 HydrophobicContact CB-CB 3.69Å; A378-E416 HydrophobicContact CB-CB 4.42Å; A378-L417 VanDerWaalsContact CB-O 3.27Å; A378-L417 WeakPolarHBondContact CB-O 3.47Å
379Q98.7Very high98.3Very high1 Ų126.3 Ų26.31%0.00515%0.151CC..Hα-helixtrans-70.8-41174.7-176.567.32.200111.4M36 F376 P377 L381 A382 C383 E395 F399 L452 L468M36-Q379 PolarHBondContact O-NE2 3.12Å; M36-Q379 VanDerWaalsContact O-NE2 3.15Å; F376-Q379 HydrophobicContact CB-CB 3.78Å; F376-Q379 WeakPolarHBondContact O-CB 3.43Å; F376-Q379 PolarHBondContact O-N 3.36Å; P377-Q379 VanDerWaalsContact C-N 3.35Å; P377-Q379 PolarHBondContact O-N 2.86Å; Q379-L381 VanDerWaalsContact C-N 3.32Å; Q379-L381 PolarHBondContact O-N 2.92Å; Q379-A382 WeakPolarHBondContact O-CB 3.3Å; Q379-A382 PolarHBondContact O-N 3.09Å; Q379-C383 PolarHBondContact O-N 3.16Å; Q379-C383 VanDerWaalsContact O-N 3.07Å; Q379-C383 PolarHBondContact O-SG 3.5Å; Q379-E395 HydrophobicContact CB-CB 4.36Å; Q379-E395 HydrophobicContact CB-CG 4.33Å; Q379-E395 PolarHBondContact OE1-OE2 3.04Å; Q379-F399 HydrophobicContact CB-CD1 4.2Å; Q379-F399 HydrophobicContact CG-CD1 3.93Å; Q379-F399 HydrophobicContact CG-CE1 4.15Å; Q379-L452 HydrophobicContact CB-CD1 4.04Å; Q379-L452 HydrophobicContact CG-CD1 3.53Å; Q379-L468 HydrophobicContact CG-CD1 3.74Å
380A98.8Very high98.3Very high3 Ų321.4 Ų21.43%0.02512%0.12CC..Hα-helixtrans-60.6-43173.600000111.3I371 F376 P377 A382 C383 E384 I449 K450 L452I371-A380 HydrophobicContact CD1-CB 4.16Å; F376-A380 PolarHBondContact O-N 2.82Å; P377-A380 PolarHBondContact O-N 3.32Å; A380-A382 PolarHBondContact O-N 3.49Å; A380-C383 PolarHBondContact O-N 3.01Å; A380-E384 PolarHBondContact O-N 3.43Å; A380-I449 HydrophobicContact CB-CG2 3.82Å; A380-K450 VanDerWaalsContact CB-O 3.3Å; A380-K450 WeakPolarHBondContact CB-O 3.5Å; A380-L452 HydrophobicContact CB-CD1 4.28Å; A380-L452 HydrophobicContact CB-CG 4.23Å
381L98.8Very high98.3Very high0 Ų016.9 Ų16.90%010%0.099CC..Hα-helixtrans-62.9-40.6175.4-170.164.8000112.3V362 A364 L367 L368 P377 A378 Q379 C383 E384 L385 L418 F439 V442 I449V362-L381 HydrophobicContact CG1-CD2 3.99Å; A364-L381 HydrophobicContact CB-CB 4.34Å; A364-L381 HydrophobicContact CB-CD2 3.66Å; L367-L381 HydrophobicContact CD2-CD1 3.7Å; L367-L381 HydrophobicContact CD2-CD2 3.87Å; L367-L381 HydrophobicContact CD2-CG 4.47Å; L368-L381 HydrophobicContact CD1-CB 3.9Å; L368-L381 HydrophobicContact CD1-CD1 4.15Å; P377-L381 WeakPolarHBondContact O-CB 3.33Å; P377-L381 PolarHBondContact O-N 2.75Å; A378-L381 PolarHBondContact O-N 2.68Å; Q379-L381 VanDerWaalsContact C-N 3.32Å; Q379-L381 PolarHBondContact O-N 2.92Å; L381-C383 VanDerWaalsContact C-N 3.32Å; L381-C383 PolarHBondContact O-N 3.27Å; L381-E384 PolarHBondContact O-N 3.08Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 PolarHBondContact O-N 3Å; L381-L418 HydrophobicContact CB-CD2 4.28Å; L381-L418 HydrophobicContact CD2-CB 3.95Å; L381-L418 HydrophobicContact CD2-CD2 3.63Å; L381-L418 HydrophobicContact CD2-CG 4.42Å; L381-L418 HydrophobicContact CG-CD2 3.68Å; L381-F439 HydrophobicContact CD2-CE1 4.45Å; L381-V442 HydrophobicContact CD1-CG1 3.39Å; L381-I449 HydrophobicContact CD1-CD1 4.26Å
382A98.8Very high98.4Very high0 Ų017.5 Ų17.50%010%0.1CC..Hα-helixtrans-59.8-43.1174.700000111.8P38 A378 Q379 A380 Y386 L418P38-A382 HydrophobicContact CG-CB 3.96Å; A378-A382 PolarHBondContact O-N 2.77Å; Q379-A382 WeakPolarHBondContact O-CB 3.3Å; Q379-A382 PolarHBondContact O-N 3.09Å; A380-A382 PolarHBondContact O-N 3.49Å; A382-Y386 PolarHBondContact O-N 3.35Å; A382-Y386 VanDerWaalsContact O-N 3.12Å; A382-L418 HydrophobicContact CB-CD1 3.54Å
383C98.8Very high98.4Very high1 Ų114.8 Ų14.81%0.0078%0.082CC..Hα-helixtrans-65.8-41176.8-63.80000111.8I31 M36 Q379 A380 L381 Y386 K387I31-C383 HydrophobicContact CD1-CB 4.44Å; I31-C383 HydrophobicContact CG1-CB 3.97Å; M36-C383 HydrophobicContact CE-CB 3.87Å; M36-C383 PolarHBondContact O-SG 3.43Å; M36-C383 VanDerWaalsContact O-SG 3.4Å; Q379-C383 PolarHBondContact O-N 3.16Å; Q379-C383 VanDerWaalsContact O-N 3.07Å; Q379-C383 PolarHBondContact O-SG 3.5Å; A380-C383 PolarHBondContact O-N 3.01Å; L381-C383 VanDerWaalsContact C-N 3.32Å; L381-C383 PolarHBondContact O-N 3.27Å; C383-Y386 PolarHBondContact O-N 3.14Å; C383-K387 WeakPolarHBondContact O-CG 3.49Å; C383-K387 PolarHBondContact O-N 2.8Å
384E98.7Very high98.5Very high3 Ų312.7 Ų12.71%0.0147%0.065CC..Hα-helixtrans-64.2-46.5176.4-173.966.5-167.200112A380 L381 Y386 K387 V388 V442 N445 I449A380-E384 PolarHBondContact O-N 3.43Å; L381-E384 PolarHBondContact O-N 3.08Å; E384-Y386 PolarHBondContact O-N 3.22Å; E384-K387 PolarHBondContact O-N 3.01Å; E384-K387 VanDerWaalsContact O-N 3.09Å; E384-K387 WeakPolarHBondContact OE2-CE 3.4Å; E384-K387 IonicContact OE2-NZ 3.63Å; E384-K387 PolarHBondContact OE2-NZ 3.26Å; E384-V388 HydrophobicContact CG-CG2 4.24Å; E384-V388 WeakPolarHBondContact O-CG2 3.41Å; E384-V388 PolarHBondContact O-N 3.22Å; E384-V442 HydrophobicContact CG-CG1 4.18Å; E384-V442 HydrophobicContact CG-CG2 4.29Å; E384-N445 PolarHBondContact OE1-ND2 2.85Å; E384-I449 HydrophobicContact CB-CD1 3.75Å; E384-I449 HydrophobicContact CB-CG1 4.24Å; E384-I449 HydrophobicContact CG-CD1 3.58Å; E384-I449 HydrophobicContact CG-CG1 3.96Å
385L98.8Very high98.5Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-57.5-40.5177.8-18062.4000111.5L381 A389 I391 A393 L418 L420 A438 F439 V442L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 PolarHBondContact O-N 3Å; L385-A389 PolarHBondContact O-N 2.88Å; L385-I391 HydrophobicContact CD1-CB 4.3Å; L385-I391 HydrophobicContact CD1-CD1 4Å; L385-I391 HydrophobicContact CD2-CB 4.26Å; L385-I391 HydrophobicContact CD2-CG2 3.86Å; L385-I391 HydrophobicContact CG-CB 3.93Å; L385-I391 HydrophobicContact CG-CG2 4.11Å; L385-A393 HydrophobicContact CD2-CB 4.11Å; L385-L418 HydrophobicContact CD2-CD2 4.15Å; L385-L420 HydrophobicContact CD2-CD2 3.67Å; L385-A438 HydrophobicContact CD1-CB 4.09Å; L385-F439 HydrophobicContact CD1-CD2 4.06Å; L385-F439 HydrophobicContact CD1-CE2 3.78Å; L385-F439 HydrophobicContact CD1-CZ 4.26Å; L385-F439 HydrophobicContact CD2-CE2 3.77Å; L385-F439 HydrophobicContact CD2-CZ 3.89Å; L385-F439 HydrophobicContact CG-CE2 4.41Å; L385-V442 HydrophobicContact CB-CG2 4.48Å; L385-V442 HydrophobicContact CD1-CG2 4.16Å
386Y98.8Very high98.5Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-63.5-50.5172.4176.8-101.2000112.1R27 A30 I31 L41 D45 V46 A382 C383 E384 V388 A389 G390 I391R27-Y386 HydrophobicContact CB-CD1 4.19Å; R27-Y386 HydrophobicContact CB-CE1 3.68Å; R27-Y386 WeakPolarHBondContact CD-O 3.46Å; R27-Y386 HydrophobicContact CG-CE1 4.08Å; R27-Y386 PolarHBondContact NE-O 2.94Å; R27-Y386 WeakPolarHBondContact O-CE1 3.27Å; A30-Y386 HydrophobicContact CB-CE1 4.29Å; I31-Y386 HydrophobicContact CB-CD1 3.8Å; I31-Y386 HydrophobicContact CB-CE1 4Å; I31-Y386 HydrophobicContact CD1-CD1 4.14Å; I31-Y386 HydrophobicContact CG1-CD1 4.21Å; L41-Y386 HydrophobicContact CD1-CD1 4.03Å; L41-Y386 HydrophobicContact CD1-CD2 3.58Å; L41-Y386 HydrophobicContact CD1-CE1 4.03Å; L41-Y386 HydrophobicContact CD1-CE2 3.62Å; L41-Y386 HydrophobicContact CD1-CG 3.8Å; L41-Y386 HydrophobicContact CD2-CD1 4.4Å; L41-Y386 HydrophobicContact CD2-CE1 3.75Å; L41-Y386 HydrophobicContact CD2-CE2 4.34Å; D45-Y386 VanDerWaalsContact O-CE2 3.32Å; D45-Y386 WeakPolarHBondContact O-CE2 3.44Å; D45-Y386 PolarHBondContact O-OH 3.38Å; V46-Y386 HydrophobicContact CG2-CE2 4.27Å; A382-Y386 PolarHBondContact O-N 3.35Å; A382-Y386 VanDerWaalsContact O-N 3.12Å; C383-Y386 PolarHBondContact O-N 3.14Å; E384-Y386 PolarHBondContact O-N 3.22Å; Y386-V388 VanDerWaalsContact C-N 3.29Å; Y386-V388 PolarHBondContact O-N 3.03Å; Y386-A389 PolarHBondContact O-N 3.05Å; Y386-G390 VanDerWaalsContact O-CA 3.31Å; Y386-G390 WeakPolarHBondContact O-CA 3.33Å; Y386-G390 PolarHBondContact O-N 3.33Å; Y386-I391 VanDerWaalsContact CA-O 3.31Å; Y386-I391 WeakPolarHBondContact CA-O 3.45Å; Y386-I391 PolarHBondContact N-O 2.62Å
387K98.6Very high98.4Very high28 Ų284.9 Ų4.912%0.1223%0.026CC..Hα-helixtrans-55-45.5177.8-72.1-179.9-66.6171.80111.8R27 E28 I31 C383 E384 E470R27-K387 PolarHBondContact NE-O 3.15Å; R27-K387 PolarHBondContact NH2-O 3.03Å; E28-K387 HydrophobicContact CG-CB 4.3Å; E28-K387 HydrophobicContact CG-CD 3.91Å; E28-K387 HydrophobicContact CG-CG 3.97Å; I31-K387 HydrophobicContact CG2-CD 4.07Å; I31-K387 HydrophobicContact CG2-CG 3.82Å; C383-K387 WeakPolarHBondContact O-CG 3.49Å; C383-K387 PolarHBondContact O-N 2.8Å; E384-K387 PolarHBondContact O-N 3.01Å; E384-K387 VanDerWaalsContact O-N 3.09Å; E384-K387 WeakPolarHBondContact OE2-CE 3.4Å; E384-K387 IonicContact OE2-NZ 3.63Å; E384-K387 PolarHBondContact OE2-NZ 3.26Å; K387-E470 IonicContact NZ-OE1 2.95Å
388V98.3Very high98.3Very high23 Ų235 Ų514%0.1393%0.027CC..Hα-helixtrans-64.6-49.6-178.1170.80000111.7R27 E384 Y386 A438 H441 V442R27-V388 PolarHBondContact NH2-O 3.37Å; E384-V388 HydrophobicContact CG-CG2 4.24Å; E384-V388 WeakPolarHBondContact O-CG2 3.41Å; E384-V388 PolarHBondContact O-N 3.22Å; Y386-V388 VanDerWaalsContact C-N 3.29Å; Y386-V388 PolarHBondContact O-N 3.03Å; V388-A438 HydrophobicContact CG1-CB 4.47Å; V388-H441 HydrophobicContact CG1-CB 3.81Å; V388-V442 HydrophobicContact CB-CG2 4.13Å; V388-V442 HydrophobicContact CG1-CG2 4.32Å; V388-V442 HydrophobicContact CG2-CG2 3.89Å
389A98.2Very high98.2Very high8 Ų85 Ų57%0.0663%0.027CC..Hα-helixtrans-133.60.9-163.900000115.9L385 Y386 I391 F434 A438L385-A389 PolarHBondContact O-N 2.88Å; Y386-A389 PolarHBondContact O-N 3.05Å; A389-I391 HydrophobicContact CB-CD1 3.56Å; A389-I391 HydrophobicContact CB-CG1 3.78Å; A389-I391 PolarHBondContact O-N 2.95Å; A389-F434 HydrophobicContact CB-CE1 3.87Å; A389-F434 HydrophobicContact CB-CZ 4Å; A389-A438 HydrophobicContact CB-CB 3.47Å; A389-A438 VanDerWaalsContact CB-CB 3.47Å
390G98.4Very high98.1Very high0 Ų06 Ų60%03%0.032CC..  trans67.423.9-17400000112.9F47 I48 Y386F47-G390 PolarHBondContact N-O 3.33Å; I48-G390 PolarHBondContact N-O 3.34Å; Y386-G390 VanDerWaalsContact O-CA 3.31Å; Y386-G390 WeakPolarHBondContact O-CA 3.33Å; Y386-G390 PolarHBondContact O-N 3.33Å
391I98.7Very high97.8Very high0 Ų06.4 Ų6.40%03%0.034CC..EExtended strand (participates in β ladder)trans-93.3120.2179.1-58.7165.5000108.1I48 L50 L385 Y386 A389 F434 I435 A438I48-I391 HydrophobicContact CB-CG1 4.15Å; I48-I391 HydrophobicContact CB-CG2 4.49Å; I48-I391 HydrophobicContact CD1-CG1 4.4Å; I48-I391 CarbonylContact O-C 3.58Å; I48-I391 VanDerWaalsContact O-CA 3.27Å; I48-I391 WeakPolarHBondContact O-CA 3.47Å; L50-I391 HydrophobicContact CD1-CG2 3.76Å; L50-I391 HydrophobicContact CG-CG2 4.2Å; L385-I391 HydrophobicContact CD1-CB 4.3Å; L385-I391 HydrophobicContact CD1-CD1 4Å; L385-I391 HydrophobicContact CD2-CB 4.26Å; L385-I391 HydrophobicContact CD2-CG2 3.86Å; L385-I391 HydrophobicContact CG-CB 3.93Å; L385-I391 HydrophobicContact CG-CG2 4.11Å; Y386-I391 VanDerWaalsContact CA-O 3.31Å; Y386-I391 WeakPolarHBondContact CA-O 3.45Å; Y386-I391 PolarHBondContact N-O 2.62Å; A389-I391 HydrophobicContact CB-CD1 3.56Å; A389-I391 HydrophobicContact CB-CG1 3.78Å; A389-I391 PolarHBondContact O-N 2.95Å; I391-F434 HydrophobicContact CD1-CD1 4.16Å; I391-F434 HydrophobicContact CD1-CE1 4.05Å; I391-F434 HydrophobicContact CG1-CE1 4.22Å; I391-I435 HydrophobicContact CD1-CB 4.36Å; I391-I435 HydrophobicContact CD1-CG1 3.91Å; I391-A438 HydrophobicContact CD1-CB 3.69Å
392R98.7Very high97.5Very high22 Ų227 Ų78%0.0834%0.039CC..EExtended strand (participates in β ladder)trans-90.6130.7175.1-179.7164.864.4-172.9-0.9109.7P38 L41 V46 I48 D49 L50 L51P38-R392 HydrophobicContact CB-CG 4Å; P38-R392 WeakPolarHBondContact O-CD 3.47Å; L41-R392 PolarHBondContact O-NH1 3.4Å; V46-R392 HydrophobicContact CB-CB 4.48Å; V46-R392 HydrophobicContact CG1-CB 3.57Å; V46-R392 HydrophobicContact CG2-CB 4.01Å; I48-R392 PolarHBondContact O-N 3.45Å; D49-R392 IonicContact OD1-CZ 3.89Å; D49-R392 IonicContact OD1-NE 3.42Å; D49-R392 PolarHBondContact OD1-NE 3.38Å; D49-R392 IonicContact OD1-NH2 2.72Å; D49-R392 IonicContact OD2-CZ 3.54Å; D49-R392 IonicContact OD2-NE 3.23Å; D49-R392 PolarHBondContact OD2-NE 2.97Å; D49-R392 IonicContact OD2-NH2 3.93Å; D49-R392 PolarHBondContact OD2-NH2 3.06Å; L50-R392 CarbonylContact C-O 3.45Å; L50-R392 VanDerWaalsContact CA-O 3.25Å; L50-R392 WeakPolarHBondContact CA-O 3.37Å; L50-R392 WeakPolarHBondContact CB-O 3.39Å; L50-R392 PolarHBondContact N-O 3.32Å; L51-R392 HydrophobicContact CB-CG 4.09Å; L51-R392 HydrophobicContact CD1-CG 3.97Å; L51-R392 PolarHBondContact N-O 3.14Å
393A98.5Very high97.2Very high0 Ų011.7 Ų11.70%06%0.057CC..  trans-139178.2177.200000109.5L385 L418 L420L385-A393 HydrophobicContact CD2-CB 4.11Å; A393-L418 HydrophobicContact CB-CD1 3.76Å; A393-L418 HydrophobicContact CB-CG 4.27Å; A393-L420 HydrophobicContact CB-CD2 3.65Å
394V98.2Very high96.7Very high2 Ų213.4 Ų13.41%0.0127%0.066CC..EExtended strand (participates in β ladder)trans-135.4144.3-178.865.20000111.5F39 L51 I396 R419F39-V394 HydrophobicContact CD2-CG2 4.49Å; F39-V394 HydrophobicContact CE2-CB 4.48Å; F39-V394 HydrophobicContact CE2-CG2 3.44Å; F39-V394 VanDerWaalsContact CE2-CG2 3.44Å; F39-V394 HydrophobicContact CZ-CG2 3.77Å; L51-V394 HydrophobicContact CD1-CB 3.9Å; L51-V394 HydrophobicContact CD1-CG2 4.42Å; L51-V394 VanDerWaalsContact O-CG1 3.31Å; L51-V394 WeakPolarHBondContact O-CG1 3.42Å; V394-I396 HydrophobicContact CG1-CD1 4.48Å; V394-R419 HydrophobicContact CG1-CB 4.15Å; V394-R419 PolarHBondContact N-O 3.11Å; V394-R419 PolarHBondContact O-N 3.25Å
395E97.7Very high96.2Very high1 Ų117.5 Ų17.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-79.3144.2174.595-57.3166.400111.3A378 Q379 F399 L400 L417A378-E395 HydrophobicContact CB-CB 3.69Å; Q379-E395 HydrophobicContact CB-CB 4.36Å; Q379-E395 HydrophobicContact CB-CG 4.33Å; Q379-E395 PolarHBondContact OE1-OE2 3.04Å; E395-F399 HydrophobicContact CG-CB 3.77Å; E395-F399 HydrophobicContact CG-CD1 3.91Å; E395-F399 HydrophobicContact CG-CG 4.36Å; E395-F399 WeakPolarHBondContact OE1-CB 3.46Å; E395-F399 WeakPolarHBondContact OE1-CD1 3.24Å; E395-L400 WeakPolarHBondContact OE1-CA 3.44Å; E395-L400 VanDerWaalsContact OE1-CB 3.31Å; E395-L400 WeakPolarHBondContact OE1-CB 3.32Å; E395-L400 PolarHBondContact OE1-N 2.87Å; E395-L417 CarbonylContact C-O 3.44Å
396I97Very high95.6Very high8 Ų823.5 Ų23.54%0.04112%0.119CC..EExtended strand (participates in β ladder)trans-128.281.7170.4-55.4-66.4000105.2F361 V394 L400 L417 R419F361-I396 HydrophobicContact CD1-CG1 4.5Å; F361-I396 HydrophobicContact CE1-CB 4.14Å; F361-I396 HydrophobicContact CE1-CG1 3.86Å; F361-I396 HydrophobicContact CE1-CG2 4.25Å; V394-I396 HydrophobicContact CG1-CD1 4.48Å; I396-L400 HydrophobicContact CD1-CD1 3.58Å; I396-L417 CarbonylContact C-O 3.35Å; I396-L417 HydrophobicContact CB-CB 4.42Å; I396-L417 PolarHBondContact N-O 3.08Å; I396-L417 WeakPolarHBondContact O-CB 3.27Å; I396-L417 PolarHBondContact O-N 3.22Å; I396-L417 VanDerWaalsContact O-N 3.12Å; I396-R419 HydrophobicContact CD1-CB 4.49Å; I396-R419 HydrophobicContact CG1-CB 3.58Å; I396-R419 HydrophobicContact CG1-CG 4.35Å
397G96.5Very high95.1Very high2 Ų227.8 Ų27.82%0.02115%0.145CC..SBendtrans-160.9-152.5-170.600000112.1F399 L400 L401 C413G397-F399 VanDerWaalsContact C-N 3.27Å; G397-F399 PolarHBondContact O-N 2.84Å; G397-L400 PolarHBondContact O-N 3.21Å; G397-L401 WeakPolarHBondContact O-CB 3.46Å; G397-L401 PolarHBondContact O-N 3.48Å; G397-C413 VanDerWaalsContact CA-SG 3.53Å
398S96.5Very high94.7Very high4 Ų428.4 Ų28.43%0.02816%0.16CC..Hα-helixtrans-58-36.6-177.6-73.20000113.1A373 G402 Q410 C413 E416 R462A373-S398 WeakPolarHBondContact O-CB 3.33Å; S398-G402 PolarHBondContact O-N 3.29Å; S398-Q410 PolarHBondContact O-NE2 3.39Å; S398-C413 WeakPolarHBondContact OG-CB 3.45Å; S398-E416 WeakPolarHBondContact CB-OE1 3.44Å; S398-E416 PolarHBondContact N-OE1 3.03Å; S398-E416 PolarHBondContact N-OE2 2.9Å; S398-E416 VanDerWaalsContact N-OE2 3.12Å; S398-E416 PolarHBondContact OG-OE1 2.87Å; S398-R462 PolarHBondContact O-NH2 3.34Å
399F96.9Very high94.5Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-62-54.9-179.8-176.4-133.8000111.5F376 Q379 E395 G397 F454 R462 H463 A466 L468F376-F399 HydrophobicContact CB-CB 4.17Å; F376-F399 HydrophobicContact CD1-CB 3.55Å; F376-F399 HydrophobicContact CD1-CD2 4.37Å; F376-F399 HydrophobicContact CD1-CG 4.35Å; F376-F399 HydrophobicContact CD2-CD2 4.4Å; F376-F399 HydrophobicContact CE1-CB 4.13Å; F376-F399 HydrophobicContact CE1-CD2 4.38Å; F376-F399 HydrophobicContact CE2-CD2 4.42Å; F376-F399 HydrophobicContact CG-CB 3.89Å; F376-F399 HydrophobicContact CG-CD2 4.38Å; F376-F399 HydrophobicContact CG-CG 4.37Å; F376-F399 HydrophobicContact CZ-CD2 4.41Å; Q379-F399 HydrophobicContact CB-CD1 4.2Å; Q379-F399 HydrophobicContact CG-CD1 3.93Å; Q379-F399 HydrophobicContact CG-CE1 4.15Å; E395-F399 HydrophobicContact CG-CB 3.77Å; E395-F399 HydrophobicContact CG-CD1 3.91Å; E395-F399 HydrophobicContact CG-CG 4.36Å; E395-F399 WeakPolarHBondContact OE1-CB 3.46Å; E395-F399 WeakPolarHBondContact OE1-CD1 3.24Å; G397-F399 VanDerWaalsContact C-N 3.27Å; G397-F399 PolarHBondContact O-N 2.84Å; F399-F454 HydrophobicContact CD2-CE1 4.14Å; F399-F454 HydrophobicContact CD2-CZ 4.03Å; F399-F454 AromaticContact CE2-CE1 3.61Å; F399-F454 HydrophobicContact CE2-CE1 3.61Å; F399-F454 AromaticContact CE2-CZ 3.99Å; F399-F454 HydrophobicContact CE2-CZ 3.99Å; F399-R462 HydrophobicContact CE2-CG 4.41Å; F399-R462 PolarHBondContact O-NE 3.37Å; F399-R462 PolarHBondContact O-NH2 3.31Å; F399-R462 VanDerWaalsContact O-NH2 3.12Å; F399-H463 HydrophobicContact CD1-CB 4.19Å; F399-H463 HydrophobicContact CE1-CB 3.95Å; F399-H463 HydrophobicContact CZ-CB 4.46Å; F399-A466 HydrophobicContact CE2-CB 3.91Å; F399-A466 HydrophobicContact CZ-CB 3.78Å; F399-L468 HydrophobicContact CE1-CD1 4.16Å; F399-L468 HydrophobicContact CE2-CD1 4.01Å; F399-L468 HydrophobicContact CE2-CD2 4.24Å; F399-L468 HydrophobicContact CE2-CG 4.46Å; F399-L468 HydrophobicContact CZ-CD1 3.74Å; F399-L468 HydrophobicContact CZ-CG 4.48Å
400L95.8Very high94.3Very high22 Ų2236.6 Ų36.612%0.11519%0.193CC..Hα-helixtrans-58.1-48.1174.8-178.4153.9000113.1D137 E395 I396 G397 G402D137-L400 HydrophobicContact CB-CD1 4.45Å; D137-L400 HydrophobicContact CB-CD2 4.04Å; D137-L400 HydrophobicContact CB-CG 4.37Å; E395-L400 WeakPolarHBondContact OE1-CA 3.44Å; E395-L400 VanDerWaalsContact OE1-CB 3.31Å; E395-L400 WeakPolarHBondContact OE1-CB 3.32Å; E395-L400 PolarHBondContact OE1-N 2.87Å; I396-L400 HydrophobicContact CD1-CD1 3.58Å; G397-L400 PolarHBondContact O-N 3.21Å; L400-G402 PolarHBondContact O-N 3.08Å
401L93.3Very high93.9Very high11 Ų1138.4 Ų38.46%0.05820%0.202CC..Hα-helixtrans-58.4-34.3-171.4-175.562.4000112.6Q140 G397 L411 P412 C413Q140-L401 PolarHBondContact NE2-O 2.91Å; G397-L401 WeakPolarHBondContact O-CB 3.46Å; G397-L401 PolarHBondContact O-N 3.48Å; L401-L411 HydrophobicContact CD1-CD1 4.27Å; L401-L411 HydrophobicContact CD2-CB 3.58Å; L401-L411 HydrophobicContact CG-CB 3.72Å; L401-L411 HydrophobicContact CG-CD1 4.04Å; L401-P412 WeakPolarHBondContact CD2-O 3.47Å; L401-C413 HydrophobicContact CD2-CB 3.96Å
402G93Very high93.6Very high11 Ų1144 Ų4411%0.11324%0.239CC..  trans82.2-163.6172.100000114.5S398 L400 Q410 L411S398-G402 PolarHBondContact O-N 3.29Å; L400-G402 PolarHBondContact O-N 3.08Å; G402-Q410 PolarHBondContact O-NE2 2.88Å; G402-Q410 VanDerWaalsContact O-NE2 3.11Å; G402-L411 PolarHBondContact O-N 3.1Å; G402-L411 VanDerWaalsContact O-N 3.07Å
403R91.9Very high93.3Very high100 Ų10044.4 Ų44.438%0.37725%0.245SC..BIsolated β-bridgetrans-103150.2178.7-62.5172.9-173.8-76.8-1.8109.9P405 G408 K409 E457R403-P405 WeakPolarHBondContact O-CD 3.27Å; R403-G408 WeakPolarHBondContact CD-O 3.33Å; R403-G408 PolarHBondContact NH1-O 2.87Å; R403-K409 CarbonylContact C-O 3.6Å; R403-K409 WeakPolarHBondContact CA-O 3.44Å; R403-K409 WeakPolarHBondContact CB-O 3.29Å; R403-E457 IonicContact CZ-OE1 3.53Å; R403-E457 IonicContact CZ-OE2 3.4Å; R403-E457 VanDerWaalsContact NE-CD 3.32Å; R403-E457 IonicContact NE-OE1 2.84Å; R403-E457 PolarHBondContact NE-OE1 3.08Å; R403-E457 IonicContact NE-OE2 3.24Å; R403-E457 PolarHBondContact NE-OE2 2.8Å; R403-E457 IonicContact NH2-OE1 4Å; R403-E457 IonicContact NH2-OE2 2.91Å; R403-E457 PolarHBondContact NH2-OE2 2.79Å
404D88.9Confident93.1Very high37 Ų3746.9 Ų46.920%0.19826%0.261CS..  trans-62.7122167.5176.6-74.6000108.9K406 T407 G408 K409 L411D404-K406 PolarHBondContact O-N 3.49Å; D404-K406 VanDerWaalsContact OD1-CA 3.32Å; D404-K406 WeakPolarHBondContact OD1-CA 3.41Å; D404-K406 VanDerWaalsContact OD1-CB 3.31Å; D404-K406 WeakPolarHBondContact OD1-CB 3.43Å; D404-K406 PolarHBondContact OD1-N 3.08Å; D404-T407 WeakPolarHBondContact CB-OG1 3.42Å; D404-T407 PolarHBondContact O-N 3.06Å; D404-T407 PolarHBondContact OD1-N 2.95Å; D404-T407 PolarHBondContact OD1-OG1 2.68Å; D404-G408 WeakPolarHBondContact O-CA 3.2Å; D404-G408 PolarHBondContact O-N 3.45Å; D404-K409 PolarHBondContact N-O 2.88Å; D404-L411 HydrophobicContact CB-CD2 3.92Å; D404-L411 HydrophobicContact CB-CG 4.34Å
405P87Confident93Very high88 Ų8847.5 Ų47.557%0.57127%0.266SS*.THydrogen-bonded Turntrans-64.3-21.7-175.6-2433.9000114.5Q144 R403Q144-P405 HydrophobicContact CB-CG 4.23Å; Q144-P405 HydrophobicContact CG-CG 4.3Å; R403-P405 WeakPolarHBondContact O-CD 3.27Å
406K86.2Confident93.1Very high126 Ų12648.1 Ų48.155%0.54827%0.269SS..THydrogen-bonded Turntrans-87-37.1-178-63.2176.9175.8174.10111.5T149 D404T149-K406 PolarHBondContact OG1-NZ 2.94Å; D404-K406 PolarHBondContact O-N 3.49Å; D404-K406 VanDerWaalsContact OD1-CA 3.32Å; D404-K406 WeakPolarHBondContact OD1-CA 3.41Å; D404-K406 VanDerWaalsContact OD1-CB 3.31Å; D404-K406 WeakPolarHBondContact OD1-CB 3.43Å; D404-K406 PolarHBondContact OD1-N 3.08Å
407T89.7Confident93.1Very high90 Ų9047.8 Ų47.855%0.55227%0.267SS*.THydrogen-bonded Turntrans-105.5-18.4-174.968.80000114.3D404 K409D404-T407 WeakPolarHBondContact CB-OG1 3.42Å; D404-T407 PolarHBondContact O-N 3.06Å; D404-T407 PolarHBondContact OD1-N 2.95Å; D404-T407 PolarHBondContact OD1-OG1 2.68Å; T407-K409 PolarHBondContact O-N 3.48Å; T407-K409 PolarHBondContact OG1-N 3.3Å
408G90.1Very high93.2Very high42 Ų4247.7 Ų47.743%0.43327%0.266SS..  trans70.53.6-173.700000114.6R403 D404R403-G408 WeakPolarHBondContact CD-O 3.33Å; R403-G408 PolarHBondContact NH1-O 2.87Å; D404-G408 WeakPolarHBondContact O-CA 3.2Å; D404-G408 PolarHBondContact O-N 3.45Å
409K92.7Very high93.3Very high151 Ų15148.3 Ų48.366%0.65727%0.268SS*.PPolyproline II helixtrans-83.7148.2179.4-65.3-174.5179.3-178.50111.2R403 D404 T407 L411R403-K409 CarbonylContact C-O 3.6Å; R403-K409 WeakPolarHBondContact CA-O 3.44Å; R403-K409 WeakPolarHBondContact CB-O 3.29Å; D404-K409 PolarHBondContact N-O 2.88Å; T407-K409 PolarHBondContact O-N 3.48Å; T407-K409 PolarHBondContact OG1-N 3.3Å; K409-L411 PolarHBondContact O-N 3.23Å
410Q93.7Very high93.4Very high52 Ų5248.3 Ų48.324%0.24327%0.268CS..BIsolated β-bridgetrans-57.4129.8172.3179.858.544.200109.7S398 G402S398-Q410 PolarHBondContact O-NE2 3.39Å; G402-Q410 PolarHBondContact O-NE2 2.88Å; G402-Q410 VanDerWaalsContact O-NE2 3.11Å
411L91.7Very high93.5Very high37 Ų3747.2 Ų47.219%0.19426%0.262CS..PPolyproline II helixtrans-71139173.3-74.3169.2000109.5L401 G402 D404 K409 C413L401-L411 HydrophobicContact CD1-CD1 4.27Å; L401-L411 HydrophobicContact CD2-CB 3.58Å; L401-L411 HydrophobicContact CG-CB 3.72Å; L401-L411 HydrophobicContact CG-CD1 4.04Å; G402-L411 PolarHBondContact O-N 3.1Å; G402-L411 VanDerWaalsContact O-N 3.07Å; D404-L411 HydrophobicContact CB-CD2 3.92Å; D404-L411 HydrophobicContact CB-CG 4.34Å; K409-L411 PolarHBondContact O-N 3.23Å; L411-C413 PolarHBondContact O-N 2.95Å
412P91.4Very high93.7Very high119 Ų11946.7 Ų46.777%0.77326%0.26SS*.PPolyproline II helixtrans-67.4122.8176.828.1-33000109.6L401L401-P412 WeakPolarHBondContact CD2-O 3.47Å
413C93.4Very high93.9Very high30 Ų3046.3 Ų46.320%0.20326%0.255CS..PPolyproline II helixtrans-96.4132.4175.6-156.30000110G397 S398 L401 L411 A415G397-C413 VanDerWaalsContact CA-SG 3.53Å; S398-C413 WeakPolarHBondContact OG-CB 3.45Å; L401-C413 HydrophobicContact CD2-CB 3.96Å; L411-C413 PolarHBondContact O-N 2.95Å; C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 2.93Å; C413-A415 PolarHBondContact SG-O 3.3Å
414P94.2Very high94Very high52 Ų5242.3 Ų42.334%0.33824%0.24SC..SBendtrans-73-21.9-178.528.1-35.6000113.9Y134 F159Y134-P414 HydrophobicContact CE2-CG 4.38Å; F159-P414 HydrophobicContact CB-CB 3.94Å; F159-P414 HydrophobicContact CB-CG 4.41Å; F159-P414 HydrophobicContact CD1-CB 4.05Å; F159-P414 HydrophobicContact CD1-CG 3.62Å; F159-P414 HydrophobicContact CD2-CB 3.72Å; F159-P414 HydrophobicContact CD2-CG 3.5Å; F159-P414 HydrophobicContact CE1-CG 3.65Å; F159-P414 HydrophobicContact CE2-CB 4.28Å; F159-P414 HydrophobicContact CE2-CG 3.55Å; F159-P414 HydrophobicContact CG-CB 3.61Å; F159-P414 HydrophobicContact CG-CG 3.54Å; F159-P414 HydrophobicContact CZ-CG 3.63Å
415A96.6Very high94.3Very high14 Ų1442 Ų4212%0.11624%0.242CC..  trans-156.3153.1175.400000110.7F159 C413 L417F159-A415 HydrophobicContact CB-CB 4.44Å; F159-A415 HydrophobicContact CD1-CB 3.88Å; C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 2.93Å; C413-A415 PolarHBondContact SG-O 3.3Å; A415-L417 HydrophobicContact CB-CD2 4.03Å; A415-L417 HydrophobicContact CB-CG 4.05Å
416E98Very high94.7Very high15 Ų1540.4 Ų40.47%0.0723%0.231CC..  trans-102.897.1173.9-64.1-63.3138.600109A364 G365 A373 P377 A378 S398A364-E416 WeakPolarHBondContact CA-O 3.37Å; A364-E416 WeakPolarHBondContact CB-O 3.5Å; A364-E416 PolarHBondContact N-O 3.34Å; G365-E416 PolarHBondContact N-O 3.13Å; A373-E416 HydrophobicContact CB-CG 4.5Å; P377-E416 HydrophobicContact CG-CB 3.74Å; P377-E416 HydrophobicContact CG-CG 3.61Å; A378-E416 HydrophobicContact CB-CB 4.42Å; S398-E416 WeakPolarHBondContact CB-OE1 3.44Å; S398-E416 PolarHBondContact N-OE1 3.03Å; S398-E416 PolarHBondContact N-OE2 2.9Å; S398-E416 VanDerWaalsContact N-OE2 3.12Å; S398-E416 PolarHBondContact OG-OE1 2.87Å
417L98.4Very high95.1Very high1 Ų135.5 Ų35.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-106.2139.2-173.9-54.8176.1000111.7T161 F361 V362 D363 A378 E395 I396 A415T161-L417 HydrophobicContact CG2-CD2 4.15Å; F361-L417 HydrophobicContact CB-CB 4.42Å; F361-L417 HydrophobicContact CB-CD1 4.32Å; F361-L417 HydrophobicContact CD1-CB 3.96Å; F361-L417 HydrophobicContact CD1-CD1 3.85Å; F361-L417 HydrophobicContact CG-CD1 4.47Å; V362-L417 CarbonylContact O-C 3.57Å; V362-L417 VanDerWaalsContact O-CA 3.29Å; V362-L417 WeakPolarHBondContact O-CA 3.44Å; D363-L417 HydrophobicContact CB-CD2 4.48Å; A378-L417 VanDerWaalsContact CB-O 3.27Å; A378-L417 WeakPolarHBondContact CB-O 3.47Å; E395-L417 CarbonylContact C-O 3.44Å; I396-L417 CarbonylContact C-O 3.35Å; I396-L417 HydrophobicContact CB-CB 4.42Å; I396-L417 PolarHBondContact N-O 3.08Å; I396-L417 WeakPolarHBondContact O-CB 3.27Å; I396-L417 PolarHBondContact O-N 3.22Å; I396-L417 VanDerWaalsContact O-N 3.12Å; A415-L417 HydrophobicContact CB-CD2 4.03Å; A415-L417 HydrophobicContact CB-CG 4.05Å
418L98.7Very high95.4Very high0 Ų032.9 Ų32.90%019%0.193CC..EExtended strand (participates in β ladder)trans-98.8118164175.870.7000108.8F361 V362 L381 A382 L385 A393 L420 F439F361-L418 CarbonylContact C-O 3.6Å; F361-L418 WeakPolarHBondContact CA-O 3.35Å; V362-L418 HydrophobicContact CB-CB 4.28Å; V362-L418 PolarHBondContact N-O 3.39Å; V362-L418 PolarHBondContact O-N 3.29Å; L381-L418 HydrophobicContact CB-CD2 4.28Å; L381-L418 HydrophobicContact CD2-CB 3.95Å; L381-L418 HydrophobicContact CD2-CD2 3.63Å; L381-L418 HydrophobicContact CD2-CG 4.42Å; L381-L418 HydrophobicContact CG-CD2 3.68Å; A382-L418 HydrophobicContact CB-CD1 3.54Å; L385-L418 HydrophobicContact CD2-CD2 4.15Å; A393-L418 HydrophobicContact CB-CD1 3.76Å; A393-L418 HydrophobicContact CB-CG 4.27Å; L418-L420 HydrophobicContact CD2-CD2 4.22Å; L418-L420 HydrophobicContact CG-CD2 4.32Å; L418-F439 HydrophobicContact CD2-CE1 4.4Å; L418-F439 HydrophobicContact CD2-CZ 3.87Å
419R98.6Very high95.5Very high16 Ų1633.5 Ų33.56%0.0619%0.185CC..EExtended strand (participates in β ladder)trans-94.2121.5-179.2-174.4-17767179.12.5111.1L51 N198 A359 F361 V394 I396 T421L51-R419 PolarHBondContact O-NH2 3.17Å; N198-R419 PolarHBondContact ND2-NH1 3.06Å; N198-R419 VanDerWaalsContact ND2-NH1 3.18Å; N198-R419 PolarHBondContact OD1-NH1 2.88Å; A359-R419 HydrophobicContact CB-CG 3.53Å; F361-R419 HydrophobicContact CD1-CB 3.87Å; F361-R419 HydrophobicContact CD1-CG 4.04Å; F361-R419 HydrophobicContact CD2-CG 4.25Å; F361-R419 HydrophobicContact CE1-CB 3.72Å; F361-R419 HydrophobicContact CE1-CG 3.6Å; F361-R419 HydrophobicContact CE2-CG 3.81Å; F361-R419 HydrophobicContact CG-CB 4.44Å; F361-R419 HydrophobicContact CG-CG 4.37Å; F361-R419 HydrophobicContact CZ-CB 4.13Å; F361-R419 HydrophobicContact CZ-CG 3.46Å; F361-R419 VanDerWaalsContact CZ-CG 3.46Å; V394-R419 HydrophobicContact CG1-CB 4.15Å; V394-R419 PolarHBondContact N-O 3.11Å; V394-R419 PolarHBondContact O-N 3.25Å; I396-R419 HydrophobicContact CD1-CB 4.49Å; I396-R419 HydrophobicContact CG1-CB 3.58Å; I396-R419 HydrophobicContact CG1-CG 4.35Å; R419-T421 VanDerWaalsContact CD-OG1 3.32Å; R419-T421 WeakPolarHBondContact CD-OG1 3.49Å; R419-T421 WeakPolarHBondContact CG-OG1 3.47Å; R419-T421 PolarHBondContact NE-OG1 3.02Å
420L98.7Very high95.7Very high0 Ų031.1 Ų31.10%018%0.183CC..EExtended strand (participates in β ladder)trans-102.184.7173.2-53.5176.3000108.4L50 L341 L345 A359 A360 V362 L385 A393 L418 I435 F439L50-L420 HydrophobicContact CD1-CB 3.98Å; L50-L420 HydrophobicContact CD1-CD2 4.16Å; L341-L420 HydrophobicContact CD2-CB 4.24Å; L341-L420 HydrophobicContact CD2-CD1 4.19Å; L345-L420 HydrophobicContact CD1-CD1 3.92Å; A359-L420 WeakPolarHBondContact CA-O 3.36Å; A359-L420 VanDerWaalsContact CB-O 3.26Å; A359-L420 WeakPolarHBondContact CB-O 3.33Å; A360-L420 HydrophobicContact CB-CB 4.31Å; A360-L420 HydrophobicContact CB-CD1 4.33Å; A360-L420 PolarHBondContact N-O 3.4Å; A360-L420 PolarHBondContact O-N 2.74Å; V362-L420 HydrophobicContact CG2-CD1 4.2Å; L385-L420 HydrophobicContact CD2-CD2 3.67Å; A393-L420 HydrophobicContact CB-CD2 3.65Å; L418-L420 HydrophobicContact CD2-CD2 4.22Å; L418-L420 HydrophobicContact CG-CD2 4.32Å; L420-I435 HydrophobicContact CD1-CG2 4.18Å; L420-F439 HydrophobicContact CD1-CE2 3.55Å; L420-F439 HydrophobicContact CD1-CZ 3.89Å; L420-F439 HydrophobicContact CD2-CE2 4.17Å; L420-F439 HydrophobicContact CD2-CZ 4.25Å; L420-F439 HydrophobicContact CG-CE2 4.47Å
421T98.3Very high95.8Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-80.5124.5-174.6-510000111.2L50 D53 R419 P423L50-T421 CarbonylContact C-O 3.55Å; L50-T421 WeakPolarHBondContact CA-O 3.28Å; L50-T421 WeakPolarHBondContact CB-O 3.43Å; L50-T421 WeakPolarHBondContact CD2-O 3.29Å; L50-T421 WeakPolarHBondContact O-CB 3.14Å; L50-T421 PolarHBondContact O-N 3.43Å; D53-T421 HydrophobicContact CB-CG2 3.59Å; R419-T421 VanDerWaalsContact CD-OG1 3.32Å; R419-T421 WeakPolarHBondContact CD-OG1 3.49Å; R419-T421 WeakPolarHBondContact CG-OG1 3.47Å; R419-T421 PolarHBondContact NE-OG1 3.02Å; T421-P423 VanDerWaalsContact O-CD 3.3Å; T421-P423 WeakPolarHBondContact O-CD 3.5Å
422I97.6Very high96.2Very high0 Ų029.3 Ų29.30%017%0.173CC..  trans-92114.8-176.4-51.7-177.9000109.6R334 Q337 V338 L341 H358 M432R334-I422 PolarHBondContact NH1-O 3.31Å; Q337-I422 HydrophobicContact CG-CD1 4.09Å; Q337-I422 VanDerWaalsContact OE1-CG2 3.28Å; V338-I422 HydrophobicContact CB-CD1 4.43Å; V338-I422 HydrophobicContact CG2-CD1 3.81Å; V338-I422 HydrophobicContact CG2-CG1 4.44Å; L341-I422 HydrophobicContact CD2-CD1 4.19Å; H358-I422 PolarHBondContact O-N 3.05Å; I422-M432 HydrophobicContact CD1-SD 3.8Å; I422-M432 HydrophobicContact CG1-SD 4.49Å
423P96.5Very high96.5Very high2 Ų226.7 Ų26.71%0.01315%0.153CC..  trans-64.5143.6173.5-20.234.6000111.7T421 A425 T426 Y427T421-P423 VanDerWaalsContact O-CD 3.3Å; T421-P423 WeakPolarHBondContact O-CD 3.5Å; P423-A425 PolarHBondContact O-N 3.26Å; P423-T426 HydrophobicContact CB-CG2 4.44Å; P423-Y427 HydrophobicContact CG-CD2 4.28Å; P423-Y427 HydrophobicContact CG-CE2 3.79Å
424R94.3Very high96.7Very high16 Ų1628.6 Ų28.66%0.0616%0.158CC..THydrogen-bonded Turntrans-69.6126.9-174.6-71.7175.4177.964.81.4111.2D53 G57 A58 E233 K270 D271 M273 R334 T426D53-R424 IonicContact OD2-CZ 2.68Å; D53-R424 IonicContact OD2-NH1 3.62Å; D53-R424 PolarHBondContact OD2-NH1 3.09Å; D53-R424 IonicContact OD2-NH2 3.92Å; G57-R424 CarbonylContact C-O 3.49Å; G57-R424 WeakPolarHBondContact CA-O 3.49Å; A58-R424 PolarHBondContact N-O 3.14Å; E233-R424 IonicContact OE1-CZ 3Å; E233-R424 IonicContact OE1-NH2 2.85Å; E233-R424 PolarHBondContact OE1-NH2 3.38Å; K270-R424 WeakPolarHBondContact O-CD 3.35Å; K270-R424 PolarHBondContact O-NE 2.81Å; K270-R424 VanDerWaalsContact O-NE 3.1Å; K270-R424 PolarHBondContact O-NH1 2.9Å; D271-R424 IonicContact OD1-CZ 3.79Å; D271-R424 IonicContact OD1-NE 2.71Å; D271-R424 IonicContact OD1-NH2 3.46Å; D271-R424 PolarHBondContact OD1-NH2 2.94Å; M273-R424 HydrophobicContact CG-CB 4.21Å; M273-R424 HydrophobicContact CG-CG 4.37Å; R334-R424 VanDerWaalsContact NH2-CZ 3.32Å; R334-R424 VanDerWaalsContact NH2-NH1 3.11Å; R424-T426 PolarHBondContact O-N 2.5Å; R424-T426 VanDerWaalsContact O-N 3.15Å; R424-T426 PolarHBondContact O-OG1 2.94Å
425A93.7Very high96.9Very high30 Ų3026.1 Ų26.125%0.24814%0.142CC..THydrogen-bonded Turntrans54.630175.500000114.3F11 A58 P423F11-A425 HydrophobicContact CD1-CB 4.11Å; F11-A425 HydrophobicContact CD2-CB 4.41Å; F11-A425 HydrophobicContact CE1-CB 3.67Å; F11-A425 HydrophobicContact CE2-CB 3.99Å; F11-A425 HydrophobicContact CG-CB 4.47Å; F11-A425 HydrophobicContact CZ-CB 3.6Å; A58-A425 HydrophobicContact CB-CB 4.13Å; P423-A425 PolarHBondContact O-N 3.26Å
426T95.8Very high97.1Very high56 Ų5626.3 Ų26.334%0.34414%0.141SC..THydrogen-bonded Turntrans-106.6-51.1-178.8-54.50000112.1T56 P423 R424T56-T426 PolarHBondContact O-OG1 3.18Å; P423-T426 HydrophobicContact CB-CG2 4.44Å; R424-T426 PolarHBondContact O-N 2.5Å; R424-T426 VanDerWaalsContact O-N 3.15Å; R424-T426 PolarHBondContact O-OG1 2.94Å
427Y95.9Very high97.1Very high23 Ų2330.6 Ų30.69%0.0916%0.161CC..  trans-106149-179.1-58.9-58.9000111.8I48 D49 L50 Y333 Q337 P423 H431I48-Y427 HydrophobicContact CG2-CD1 4.42Å; I48-Y427 HydrophobicContact CG2-CD2 4.25Å; I48-Y427 HydrophobicContact CG2-CE1 4.06Å; I48-Y427 HydrophobicContact CG2-CE2 3.88Å; D49-Y427 PolarHBondContact N-OH 3.02Å; D49-Y427 WeakPolarHBondContact O-CE2 3.4Å; D49-Y427 PolarHBondContact O-OH 3.05Å; L50-Y427 HydrophobicContact CD2-CD2 4.08Å; L50-Y427 HydrophobicContact CD2-CE2 3.97Å; Y333-Y427 PolarHBondContact OH-O 3.35Å; Q337-Y427 PolarHBondContact NE2-O 2.73Å; P423-Y427 HydrophobicContact CG-CD2 4.28Å; P423-Y427 HydrophobicContact CG-CE2 3.79Å; Y427-H431 HydrophobicContact CD1-CB 4.4Å; Y427-H431 AromaticContact CD1-CD2 3.59Å; Y427-H431 AromaticContact CD1-CG 3.88Å; Y427-H431 AromaticContact CD1-NE2 3.91Å; Y427-H431 HydrophobicContact CG-CB 4.35Å
428T94.6Very high97.1Very high34 Ų3430.7 Ų30.721%0.20916%0.162CC..  trans-100174.2177.963.70000111.6I13 T430 H431I13-T428 HydrophobicContact CD1-CG2 4.37Å; T428-T430 VanDerWaalsContact C-N 3.27Å; T428-T430 PolarHBondContact O-N 3.04Å; T428-H431 PolarHBondContact N-ND1 2.9Å; T428-H431 WeakPolarHBondContact O-CB 3.47Å; T428-H431 PolarHBondContact O-N 3.13Å; T428-H431 PolarHBondContact OG1-ND1 3.31Å
429Q93.2Very high97.1Very high56 Ų5630.7 Ų30.726%0.26216%0.162SC..Hα-helixtrans-54.9-37.8176.8-170.1178.5-19.500113.7H6 Y340 H431 M432 D433H6-Q429 PolarHBondContact CD2-OE1 2.98Å; H6-Q429 PolarHBondContact NE2-OE1 3.49Å; H6-Q429 VanDerWaalsContact NE2-OE1 3.14Å; Y340-Q429 HydrophobicContact CD1-CG 4.03Å; Y340-Q429 HydrophobicContact CE1-CG 3.55Å; Y340-Q429 PolarHBondContact OH-NE2 3.14Å; Q429-H431 PolarHBondContact O-N 2.95Å; Q429-H431 VanDerWaalsContact O-N 3.14Å; Q429-M432 WeakPolarHBondContact O-CA 3.5Å; Q429-M432 VanDerWaalsContact O-CB 3.25Å; Q429-M432 WeakPolarHBondContact O-CB 3.32Å; Q429-M432 PolarHBondContact O-N 3Å; Q429-D433 PolarHBondContact O-N 2.98Å
430T95.7Very high97.1Very high100 Ų10034.8 Ų34.861%0.61318%0.18SC*.Hα-helixtrans-60.2-27.4177.5-51.10000113.2T428 F434T428-T430 VanDerWaalsContact C-N 3.27Å; T428-T430 PolarHBondContact O-N 3.04Å; T430-F434 PolarHBondContact O-N 3.2Å
431H97.7Very high97.1Very high51 Ų5139 Ų3924%0.23620%0.2CC..Hα-helixtrans-71.7-34.9172.5-62.682.8000111.2I48 Y427 T428 Q429 F434 I435I48-H431 HydrophobicContact CD1-CB 4.21Å; Y427-H431 HydrophobicContact CD1-CB 4.4Å; Y427-H431 AromaticContact CD1-CD2 3.59Å; Y427-H431 AromaticContact CD1-CG 3.88Å; Y427-H431 AromaticContact CD1-NE2 3.91Å; Y427-H431 HydrophobicContact CG-CB 4.35Å; T428-H431 PolarHBondContact N-ND1 2.9Å; T428-H431 WeakPolarHBondContact O-CB 3.47Å; T428-H431 PolarHBondContact O-N 3.13Å; T428-H431 PolarHBondContact OG1-ND1 3.31Å; Q429-H431 PolarHBondContact O-N 2.95Å; Q429-H431 VanDerWaalsContact O-N 3.14Å; H431-F434 PolarHBondContact O-N 3.39Å; H431-I435 WeakPolarHBondContact O-CD1 3.39Å; H431-I435 WeakPolarHBondContact O-CG1 3.47Å; H431-I435 PolarHBondContact O-N 2.93Å
432M98.1Very high97.1Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-65.5-42.5174.7-54.6-59106.300110.9Q337 Y340 L341 I422 Q429 F434 I435 I436Q337-M432 HydrophobicContact CG-CG 4.11Å; Q337-M432 HydrophobicContact CG-SD 4.24Å; Y340-M432 HydrophobicContact CD1-CB 3.8Å; Y340-M432 HydrophobicContact CD1-CG 4.32Å; Y340-M432 HydrophobicContact CE1-CB 3.94Å; L341-M432 HydrophobicContact CB-SD 4.09Å; L341-M432 HydrophobicContact CD1-SD 4.43Å; L341-M432 HydrophobicContact CD2-SD 3.97Å; L341-M432 HydrophobicContact CG-SD 4.39Å; I422-M432 HydrophobicContact CD1-SD 3.8Å; I422-M432 HydrophobicContact CG1-SD 4.49Å; Q429-M432 WeakPolarHBondContact O-CA 3.5Å; Q429-M432 VanDerWaalsContact O-CB 3.25Å; Q429-M432 WeakPolarHBondContact O-CB 3.32Å; Q429-M432 PolarHBondContact O-N 3Å; M432-F434 VanDerWaalsContact C-N 3.31Å; M432-F434 PolarHBondContact O-N 2.94Å; M432-I435 HydrophobicContact CE-CD1 3.59Å; M432-I435 WeakPolarHBondContact O-CB 3.46Å; M432-I435 PolarHBondContact O-N 3.02Å; M432-I435 VanDerWaalsContact O-N 3.14Å; M432-I435 HydrophobicContact SD-CD1 4.04Å; M432-I436 WeakPolarHBondContact O-CD1 3.39Å; M432-I436 WeakPolarHBondContact O-CG1 3.19Å; M432-I436 PolarHBondContact O-N 2.85Å
433D98.3Very high97.1Very high64 Ų6443.1 Ų43.134%0.34222%0.217SC..Hα-helixtrans-56.4-46.3174.3-60.6-29.7000111.5Y340 Q429 I435 I436 E437Y340-D433 WeakPolarHBondContact CE1-OD1 3.17Å; Y340-D433 PolarHBondContact OH-OD1 3Å; Q429-D433 PolarHBondContact O-N 2.98Å; D433-I435 PolarHBondContact O-N 3.04Å; D433-I436 PolarHBondContact O-N 3.38Å; D433-E437 PolarHBondContact O-N 3.01Å
434F98.6Very high97.2Very high70 Ų7050 Ų5031%0.30725%0.25SC..Hα-helixtrans-64.4-37.6177.3-179.5-98.6000112.6F47 I48 A389 I391 T430 H431 M432 E437 A438F47-F434 AromaticContact CD1-CE1 3.79Å; F47-F434 HydrophobicContact CD1-CE1 3.79Å; F47-F434 HydrophobicContact CD1-CZ 4.16Å; F47-F434 HydrophobicContact CE1-CD1 4.18Å; F47-F434 AromaticContact CE1-CE1 3.77Å; F47-F434 HydrophobicContact CE1-CE1 3.77Å; F47-F434 HydrophobicContact CE1-CZ 4.01Å; I48-F434 HydrophobicContact CD1-CD1 3.57Å; I48-F434 HydrophobicContact CD1-CE1 4.16Å; A389-F434 HydrophobicContact CB-CE1 3.87Å; A389-F434 HydrophobicContact CB-CZ 4Å; I391-F434 HydrophobicContact CD1-CD1 4.16Å; I391-F434 HydrophobicContact CD1-CE1 4.05Å; I391-F434 HydrophobicContact CG1-CE1 4.22Å; T430-F434 PolarHBondContact O-N 3.2Å; H431-F434 PolarHBondContact O-N 3.39Å; M432-F434 VanDerWaalsContact C-N 3.31Å; M432-F434 PolarHBondContact O-N 2.94Å; F434-E437 PolarHBondContact O-N 3.34Å; F434-A438 WeakPolarHBondContact O-CB 3.32Å; F434-A438 PolarHBondContact O-N 3.23Å
435I98.8Very high97.3Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-63.1-45.8174-65.5155.2000110I48 L50 L341 I391 L420 H431 M432 D433 E437 A438 F439I48-I435 HydrophobicContact CD1-CG1 4.26Å; I48-I435 HydrophobicContact CG2-CD1 4.41Å; L50-I435 HydrophobicContact CD1-CD1 3.55Å; L50-I435 HydrophobicContact CD1-CG1 4.11Å; L50-I435 HydrophobicContact CD2-CD1 4.41Å; L341-I435 HydrophobicContact CD1-CB 4.08Å; L341-I435 HydrophobicContact CD1-CG2 3.76Å; I391-I435 HydrophobicContact CD1-CB 4.36Å; I391-I435 HydrophobicContact CD1-CG1 3.91Å; L420-I435 HydrophobicContact CD1-CG2 4.18Å; H431-I435 WeakPolarHBondContact O-CD1 3.39Å; H431-I435 WeakPolarHBondContact O-CG1 3.47Å; H431-I435 PolarHBondContact O-N 2.93Å; M432-I435 HydrophobicContact CE-CD1 3.59Å; M432-I435 WeakPolarHBondContact O-CB 3.46Å; M432-I435 PolarHBondContact O-N 3.02Å; M432-I435 VanDerWaalsContact O-N 3.14Å; M432-I435 HydrophobicContact SD-CD1 4.04Å; D433-I435 PolarHBondContact O-N 3.04Å; I435-E437 VanDerWaalsContact C-N 3.33Å; I435-E437 PolarHBondContact O-N 3.45Å; I435-A438 WeakPolarHBondContact O-CB 3.41Å; I435-A438 PolarHBondContact O-N 3.33Å; I435-F439 HydrophobicContact CG2-CD2 3.98Å; I435-F439 HydrophobicContact CG2-CE2 4.03Å; I435-F439 WeakPolarHBondContact O-CD2 3.48Å; I435-F439 PolarHBondContact O-N 3.37Å
436I98.8Very high97.5Very high18 Ų1850.4 Ų50.49%0.09225%0.25CS..Hα-helixtrans-60.5-43.8177.8-65.5156.8000110.5Y340 L341 G344 L345 I348 M432 D433 F439 K440Y340-I436 HydrophobicContact CE1-CD1 4.35Å; L341-I436 HydrophobicContact CD1-CD1 4.48Å; L341-I436 HydrophobicContact CD1-CG1 3.95Å; G344-I436 WeakPolarHBondContact O-CG2 3.47Å; L345-I436 HydrophobicContact CG-CG1 4.46Å; I348-I436 HydrophobicContact CD1-CG2 4.3Å; I348-I436 WeakPolarHBondContact CD1-O 3.29Å; I348-I436 HydrophobicContact CG2-CG2 4.19Å; M432-I436 WeakPolarHBondContact O-CD1 3.39Å; M432-I436 WeakPolarHBondContact O-CG1 3.19Å; M432-I436 PolarHBondContact O-N 2.85Å; D433-I436 PolarHBondContact O-N 3.38Å; I436-F439 PolarHBondContact O-N 3.43Å; I436-K440 PolarHBondContact O-N 2.83Å
437E98.6Very high97.6Very high105 Ų10551.7 Ų51.749%0.49127%0.266SS..Hα-helixtrans-61.7-43.5175-172.2178.316600112.2D433 F434 I435 F439 K440 H441D433-E437 PolarHBondContact O-N 3.01Å; F434-E437 PolarHBondContact O-N 3.34Å; I435-E437 VanDerWaalsContact C-N 3.33Å; I435-E437 PolarHBondContact O-N 3.45Å; E437-F439 VanDerWaalsContact C-N 3.26Å; E437-F439 PolarHBondContact O-N 2.91Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 3.29Å; E437-H441 PolarHBondContact O-N 3.45Å
438A98.7Very high97.7Very high4 Ų456.1 Ų56.13%0.03329%0.291CS..Hα-helixtrans-57.7-39.9174.900000111.9L385 V388 A389 I391 F434 I435 K440 H441 V442L385-A438 HydrophobicContact CD1-CB 4.09Å; V388-A438 HydrophobicContact CG1-CB 4.47Å; A389-A438 HydrophobicContact CB-CB 3.47Å; A389-A438 VanDerWaalsContact CB-CB 3.47Å; I391-A438 HydrophobicContact CD1-CB 3.69Å; F434-A438 WeakPolarHBondContact O-CB 3.32Å; F434-A438 PolarHBondContact O-N 3.23Å; I435-A438 WeakPolarHBondContact O-CB 3.41Å; I435-A438 PolarHBondContact O-N 3.33Å; A438-K440 VanDerWaalsContact C-N 3.31Å; A438-K440 PolarHBondContact O-N 3.28Å; A438-H441 PolarHBondContact O-N 3.13Å; A438-V442 WeakPolarHBondContact O-CG2 3.3Å; A438-V442 PolarHBondContact O-N 2.99Å
439F98.7Very high97.9Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-68.1-25.8177.1-91.6-85.8000114L345 I348 V350 V362 L381 L385 L418 L420 I435 I436 E437 H441 V442 K443L345-F439 HydrophobicContact CD2-CB 3.58Å; L345-F439 HydrophobicContact CD2-CD1 4.17Å; L345-F439 HydrophobicContact CD2-CD2 3.49Å; L345-F439 VanDerWaalsContact CD2-CD2 3.49Å; L345-F439 HydrophobicContact CD2-CE2 4.2Å; L345-F439 HydrophobicContact CD2-CG 3.47Å; L345-F439 VanDerWaalsContact CD2-CG 3.47Å; I348-F439 HydrophobicContact CD1-CB 3.79Å; V350-F439 HydrophobicContact CG1-CD1 4.37Å; V350-F439 HydrophobicContact CG2-CD1 4.38Å; V362-F439 HydrophobicContact CB-CE1 4.49Å; V362-F439 HydrophobicContact CG1-CE1 4.21Å; V362-F439 HydrophobicContact CG2-CE1 3.93Å; V362-F439 HydrophobicContact CG2-CZ 3.9Å; L381-F439 HydrophobicContact CD2-CE1 4.45Å; L385-F439 HydrophobicContact CD1-CD2 4.06Å; L385-F439 HydrophobicContact CD1-CE2 3.78Å; L385-F439 HydrophobicContact CD1-CZ 4.26Å; L385-F439 HydrophobicContact CD2-CE2 3.77Å; L385-F439 HydrophobicContact CD2-CZ 3.89Å; L385-F439 HydrophobicContact CG-CE2 4.41Å; L418-F439 HydrophobicContact CD2-CE1 4.4Å; L418-F439 HydrophobicContact CD2-CZ 3.87Å; L420-F439 HydrophobicContact CD1-CE2 3.55Å; L420-F439 HydrophobicContact CD1-CZ 3.89Å; L420-F439 HydrophobicContact CD2-CE2 4.17Å; L420-F439 HydrophobicContact CD2-CZ 4.25Å; L420-F439 HydrophobicContact CG-CE2 4.47Å; I435-F439 HydrophobicContact CG2-CD2 3.98Å; I435-F439 HydrophobicContact CG2-CE2 4.03Å; I435-F439 WeakPolarHBondContact O-CD2 3.48Å; I435-F439 PolarHBondContact O-N 3.37Å; I436-F439 PolarHBondContact O-N 3.43Å; E437-F439 VanDerWaalsContact C-N 3.26Å; E437-F439 PolarHBondContact O-N 2.91Å; F439-H441 VanDerWaalsContact C-N 3.34Å; F439-V442 PolarHBondContact O-N 3.26Å; F439-K443 WeakPolarHBondContact O-CB 3.39Å; F439-K443 PolarHBondContact O-N 3.27Å
440K98.4Very high98.2Very high102 Ų10257.3 Ų57.344%0.44329%0.293SS..Hα-helixtrans-60.3-47.4170.3-64.8176.5-179.3172.50110.4I348 I436 E437 A438 K443 E444I348-K440 HydrophobicContact CB-CG 4.34Å; I348-K440 HydrophobicContact CD1-CG 3.8Å; I348-K440 HydrophobicContact CG2-CD 4.36Å; I348-K440 VanDerWaalsContact CG2-CE 3.41Å; I348-K440 HydrophobicContact CG2-CG 4.04Å; I436-K440 PolarHBondContact O-N 2.83Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 3.29Å; A438-K440 VanDerWaalsContact C-N 3.31Å; A438-K440 PolarHBondContact O-N 3.28Å; K440-K443 PolarHBondContact O-N 2.9Å; K440-E444 WeakPolarHBondContact O-CG 3.43Å; K440-E444 PolarHBondContact O-N 3.11Å
441H98.3Very high98.3Very high89 Ų8952.7 Ų52.741%0.41227%0.265SS..Hα-helixtrans-68.4-38.5177.9-65.4-54.8000113.4V388 E437 A438 F439 K443 E444 N445V388-H441 HydrophobicContact CG1-CB 3.81Å; E437-H441 PolarHBondContact O-N 3.45Å; A438-H441 PolarHBondContact O-N 3.13Å; F439-H441 VanDerWaalsContact C-N 3.34Å; H441-K443 VanDerWaalsContact C-N 3.32Å; H441-K443 PolarHBondContact O-N 3.26Å; H441-E444 IonicContact ND1-OE2 3.95Å; H441-E444 PolarHBondContact ND1-OE2 2.85Å; H441-E444 PolarHBondContact O-N 2.65Å; H441-N445 PolarHBondContact O-N 2.87Å
442V98.5Very high98.4Very high0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-61-44173.2172.30000110.5L381 E384 L385 V388 A438 F439 N445 A446 I449L381-V442 HydrophobicContact CD1-CG1 3.39Å; E384-V442 HydrophobicContact CG-CG1 4.18Å; E384-V442 HydrophobicContact CG-CG2 4.29Å; L385-V442 HydrophobicContact CB-CG2 4.48Å; L385-V442 HydrophobicContact CD1-CG2 4.16Å; V388-V442 HydrophobicContact CB-CG2 4.13Å; V388-V442 HydrophobicContact CG1-CG2 4.32Å; V388-V442 HydrophobicContact CG2-CG2 3.89Å; A438-V442 WeakPolarHBondContact O-CG2 3.3Å; A438-V442 PolarHBondContact O-N 2.99Å; F439-V442 PolarHBondContact O-N 3.26Å; V442-N445 CarbonylContact O-C 3.5Å; V442-N445 PolarHBondContact O-N 3.21Å; V442-A446 PolarHBondContact O-N 2.89Å; V442-I449 HydrophobicContact CG1-CD1 4.36Å
443K97.9Very high98.4Very high85 Ų8552.8 Ų52.837%0.3727%0.269SS..Hα-helixtrans-63.8-40.7178.4-179.2173.3173.41700112.3I348 G349 V350 L367 F439 K440 H441 N445 A446I348-K443 PolarHBondContact O-NZ 3.38Å; G349-K443 PolarHBondContact O-NZ 3.01Å; V350-K443 HydrophobicContact CG2-CD 4.25Å; L367-K443 HydrophobicContact CD1-CG 4.39Å; F439-K443 WeakPolarHBondContact O-CB 3.39Å; F439-K443 PolarHBondContact O-N 3.27Å; K440-K443 PolarHBondContact O-N 2.9Å; H441-K443 VanDerWaalsContact C-N 3.32Å; H441-K443 PolarHBondContact O-N 3.26Å; K443-N445 PolarHBondContact O-N 3.42Å; K443-A446 VanDerWaalsContact O-CB 3.32Å; K443-A446 WeakPolarHBondContact O-CB 3.48Å; K443-A446 PolarHBondContact O-N 3.44Å
444E98Very high98.4Very high148 Ų14851.6 Ų51.669%0.69226%0.261SS*.Hα-helixtrans-59.3-34.5173.9-73.7167.5173.100112.3K440 H441K440-E444 WeakPolarHBondContact O-CG 3.43Å; K440-E444 PolarHBondContact O-N 3.11Å; H441-E444 IonicContact ND1-OE2 3.95Å; H441-E444 PolarHBondContact ND1-OE2 2.85Å; H441-E444 PolarHBondContact O-N 2.65Å
445N97.5Very high98.3Very high43 Ų4352.3 Ų52.323%0.2327%0.271CS..THydrogen-bonded Turntrans-95.20.5-179.9-163.844.2000114.3E384 H441 V442 K443 A447 N448E384-N445 PolarHBondContact OE1-ND2 2.85Å; H441-N445 PolarHBondContact O-N 2.87Å; V442-N445 CarbonylContact O-C 3.5Å; V442-N445 PolarHBondContact O-N 3.21Å; K443-N445 PolarHBondContact O-N 3.42Å; N445-A447 VanDerWaalsContact C-N 3.29Å; N445-A447 PolarHBondContact O-N 3.04Å; N445-A447 VanDerWaalsContact O-N 3.13Å; N445-N448 PolarHBondContact O-N 3.48Å; N445-N448 WeakPolarHBondContact OD1-CB 3.3Å; N445-N448 PolarHBondContact OD1-ND2 3.39Å
446A98.2Very high98.3Very high11 Ų1158.3 Ų58.39%0.09130%0.295CS..G310 helixtrans-53.4-41.6-168.100000113.8L368 H370 V442 K443 N448 I449L368-A446 HydrophobicContact CD2-CB 3.81Å; L368-A446 WeakPolarHBondContact CD2-O 3.32Å; H370-A446 PolarHBondContact CE1-O 2.86Å; V442-A446 PolarHBondContact O-N 2.89Å; K443-A446 VanDerWaalsContact O-CB 3.32Å; K443-A446 WeakPolarHBondContact O-CB 3.48Å; K443-A446 PolarHBondContact O-N 3.44Å; A446-N448 PolarHBondContact O-N 3.31Å; A446-I449 PolarHBondContact O-N 3.24Å
447A98Very high98.2Very high82 Ų8260.4 Ų60.468%0.67830%0.304SS*.G310 helixtrans-65.3-19.9-179.500000114.2N445N445-A447 VanDerWaalsContact C-N 3.29Å; N445-A447 PolarHBondContact O-N 3.04Å; N445-A447 VanDerWaalsContact O-N 3.13Å
448N98.2Very high97.9Very high116 Ų11656 Ų5662%0.6229%0.285SS*.G310 helixtrans-95.9-8179.7-59.5-47.5000112.9N445 A446 K450N445-N448 PolarHBondContact O-N 3.48Å; N445-N448 WeakPolarHBondContact OD1-CB 3.3Å; N445-N448 PolarHBondContact OD1-ND2 3.39Å; A446-N448 PolarHBondContact O-N 3.31Å; N448-K450 PolarHBondContact O-N 3.06Å
449I98.6Very high97.4Very high9 Ų966.2 Ų66.25%0.04633%0.329CS..PPolyproline II helixtrans-68.1131177.6-57.9177.5000108.2L368 H370 I371 A380 L381 E384 V442 A446L368-I449 HydrophobicContact CD1-CB 4.43Å; L368-I449 HydrophobicContact CD1-CD1 4.15Å; L368-I449 HydrophobicContact CD1-CG2 4.03Å; L368-I449 HydrophobicContact CD2-CB 4.28Å; L368-I449 HydrophobicContact CD2-CD1 3.74Å; L368-I449 HydrophobicContact CD2-CG1 4.44Å; H370-I449 PolarHBondContact NE2-O 2.67Å; I371-I449 HydrophobicContact CD1-CB 4.46Å; I371-I449 HydrophobicContact CD1-CG2 4.02Å; A380-I449 HydrophobicContact CB-CG2 3.82Å; L381-I449 HydrophobicContact CD1-CD1 4.26Å; E384-I449 HydrophobicContact CB-CD1 3.75Å; E384-I449 HydrophobicContact CB-CG1 4.24Å; E384-I449 HydrophobicContact CG-CD1 3.58Å; E384-I449 HydrophobicContact CG-CG1 3.96Å; V442-I449 HydrophobicContact CG1-CD1 4.36Å; A446-I449 PolarHBondContact O-N 3.24Å
450K98.5Very high96.9Very high107 Ų10769.7 Ų69.747%0.46535%0.35SS..PPolyproline II helixtrans-96.4150.8179.3-66.6-177.6-172.8168.50111.5A380 N448 E470A380-K450 VanDerWaalsContact CB-O 3.3Å; A380-K450 WeakPolarHBondContact CB-O 3.5Å; N448-K450 PolarHBondContact O-N 3.06Å; K450-E470 HydrophobicContact CB-CB 4.03Å; K450-E470 HydrophobicContact CB-CG 4.26Å; K450-E470 HydrophobicContact CD-CB 4.01Å; K450-E470 IonicContact NZ-OE2 2.81Å
451G98.6Very high96.5Very high2 Ų267 Ų672%0.02134%0.34CS..PPolyproline II helixtrans-64.7168.7168.500000111.9E470 V471G451-E470 CarbonylContact O-C 3.59Å; G451-E470 VanDerWaalsContact O-CA 3.31Å; G451-E470 WeakPolarHBondContact O-CA 3.48Å; G451-V471 PolarHBondContact O-N 2.76Å
452L98.7Very high96.3Very high0 Ų063 Ų630%032%0.321CS..EExtended strand (participates in β ladder)trans-121.8146-178.9-61.8176000111.4M36 Q375 F376 Q379 A380 L468 K469 E470M36-L452 HydrophobicContact CB-CD1 4.49Å; M36-L452 HydrophobicContact CB-CD2 4.2Å; M36-L452 HydrophobicContact CE-CD2 3.7Å; M36-L452 HydrophobicContact CG-CD2 4.34Å; Q375-L452 WeakPolarHBondContact CA-O 3.37Å; Q375-L452 PolarHBondContact O-N 3.02Å; F376-L452 HydrophobicContact CD2-CB 4.39Å; Q379-L452 HydrophobicContact CB-CD1 4.04Å; Q379-L452 HydrophobicContact CG-CD1 3.53Å; A380-L452 HydrophobicContact CB-CD1 4.28Å; A380-L452 HydrophobicContact CB-CG 4.23Å; L452-L468 HydrophobicContact CB-CB 4.31Å; L452-L468 HydrophobicContact CB-CD2 4.26Å; L452-L468 HydrophobicContact CD1-CD1 4.11Å; L452-K469 CarbonylContact C-O 3.59Å; L452-K469 WeakPolarHBondContact CA-O 3.14Å; L452-E470 HydrophobicContact CD2-CG 4.07Å
453T98.3Very high96.1Very high53 Ų5363 Ų6333%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-131.4156.5171.1-161.50000111.4L468 K469 V471T453-L468 CarbonylContact O-C 3.13Å; T453-L468 WeakPolarHBondContact O-CA 3.41Å; T453-K469 HydrophobicContact CG2-CD 4.4Å; T453-K469 HydrophobicContact CG2-CG 3.78Å; T453-K469 PolarHBondContact N-O 3.46Å; T453-K469 PolarHBondContact O-N 3.01Å; T453-V471 HydrophobicContact CG2-CG1 3.33Å
454F98.1Very high96Very high39 Ų3961.8 Ų61.817%0.17132%0.316CS..EExtended strand (participates in β ladder)trans-67.2135.8-178.3-65.8-79000112.6F376 F399 E457 A466 L468F376-F454 HydrophobicContact CE2-CD2 4.25Å; F376-F454 AromaticContact CE2-CE2 3.69Å; F376-F454 HydrophobicContact CE2-CE2 3.69Å; F376-F454 AromaticContact CE2-CZ 3.94Å; F376-F454 HydrophobicContact CE2-CZ 3.94Å; F376-F454 HydrophobicContact CZ-CD2 4.39Å; F376-F454 AromaticContact CZ-CE2 3.47Å; F376-F454 HydrophobicContact CZ-CE2 3.47Å; F376-F454 VanDerWaalsContact CZ-CE2 3.47Å; F376-F454 AromaticContact CZ-CZ 3.72Å; F376-F454 HydrophobicContact CZ-CZ 3.72Å; F399-F454 HydrophobicContact CD2-CE1 4.14Å; F399-F454 HydrophobicContact CD2-CZ 4.03Å; F399-F454 AromaticContact CE2-CE1 3.61Å; F399-F454 HydrophobicContact CE2-CE1 3.61Å; F399-F454 AromaticContact CE2-CZ 3.99Å; F399-F454 HydrophobicContact CE2-CZ 3.99Å; F454-E457 HydrophobicContact CB-CB 4.35Å; F454-E457 HydrophobicContact CD1-CB 3.59Å; F454-E457 HydrophobicContact CD1-CG 3.9Å; F454-E457 HydrophobicContact CD2-CB 4.43Å; F454-E457 HydrophobicContact CE1-CB 3.86Å; F454-E457 HydrophobicContact CE1-CG 3.6Å; F454-E457 HydrophobicContact CE2-CG 4.31Å; F454-E457 HydrophobicContact CG-CB 3.9Å; F454-E457 HydrophobicContact CG-CG 4.35Å; F454-E457 HydrophobicContact CZ-CB 4.44Å; F454-E457 HydrophobicContact CZ-CG 3.87Å; F454-A466 HydrophobicContact CD1-CB 4.22Å; F454-A466 HydrophobicContact CE1-CB 4Å; F454-L468 HydrophobicContact CD1-CD2 3.9Å; F454-L468 HydrophobicContact CE1-CD2 4.21Å; F454-L468 HydrophobicContact CG-CD2 4.26Å
455T98.1Very high95.9Very high85 Ų8558 Ų5852%0.52130%0.303SS..EExtended strand (participates in β ladder)trans-101.5-24.5155.155.80000111K467 K469T455-K467 PolarHBondContact N-O 2.94Å; T455-K467 VanDerWaalsContact OG1-CB 3.26Å; T455-K467 WeakPolarHBondContact OG1-CB 3.28Å; T455-K467 PolarHBondContact OG1-O 3.12Å; T455-K467 VanDerWaalsContact OG1-O 3.12Å; T455-K469 HydrophobicContact CG2-CB 3.96Å; T455-K469 HydrophobicContact CG2-CD 3.69Å; T455-K469 HydrophobicContact CG2-CG 3.74Å
456Y97.8Very high96Very high127 Ų12755.9 Ų55.950%0.49829%0.292SS..EExtended strand (participates in β ladder)trans-151.4126.2172.7169.6-110.7000110.3P458 A466 K467Y456-P458 HydrophobicContact CD1-CG 4.35Å; Y456-P458 HydrophobicContact CE1-CG 3.7Å; Y456-A466 VanDerWaalsContact O-CA 3.31Å; Y456-A466 WeakPolarHBondContact O-CA 3.22Å; Y456-A466 WeakPolarHBondContact O-CB 3.47Å; Y456-K467 PolarHBondContact N-O 3.18Å; Y456-K467 VanDerWaalsContact N-O 3.09Å; Y456-K467 PolarHBondContact O-N 2.56Å
457E96.5Very high96Very high61 Ų6160.1 Ų60.129%0.28531%0.308SS..  trans-120.1109.4178.2-172.3174.4-174.200110.6R403 F454 R462R403-E457 IonicContact CZ-OE1 3.53Å; R403-E457 IonicContact CZ-OE2 3.4Å; R403-E457 VanDerWaalsContact NE-CD 3.32Å; R403-E457 IonicContact NE-OE1 2.84Å; R403-E457 PolarHBondContact NE-OE1 3.08Å; R403-E457 IonicContact NE-OE2 3.24Å; R403-E457 PolarHBondContact NE-OE2 2.8Å; R403-E457 IonicContact NH2-OE1 4Å; R403-E457 IonicContact NH2-OE2 2.91Å; R403-E457 PolarHBondContact NH2-OE2 2.79Å; F454-E457 HydrophobicContact CB-CB 4.35Å; F454-E457 HydrophobicContact CD1-CB 3.59Å; F454-E457 HydrophobicContact CD1-CG 3.9Å; F454-E457 HydrophobicContact CD2-CB 4.43Å; F454-E457 HydrophobicContact CE1-CB 3.86Å; F454-E457 HydrophobicContact CE1-CG 3.6Å; F454-E457 HydrophobicContact CE2-CG 4.31Å; F454-E457 HydrophobicContact CG-CB 3.9Å; F454-E457 HydrophobicContact CG-CG 4.35Å; F454-E457 HydrophobicContact CZ-CB 4.44Å; F454-E457 HydrophobicContact CZ-CG 3.87Å; E457-R462 HydrophobicContact CG-CB 4.34Å; E457-R462 WeakPolarHBondContact OE1-CD 3.34Å; E457-R462 IonicContact OE1-CZ 2.66Å; E457-R462 IonicContact OE1-NE 3.85Å; E457-R462 IonicContact OE1-NH1 3.37Å; E457-R462 PolarHBondContact OE1-NH1 3.01Å
458P93.2Very high96Very high14 Ų1456.5 Ų56.59%0.09128%0.277CS..  trans-62.1149.8168.4-16.325.6000111.9Y456 V460 R462 T465 A466Y456-P458 HydrophobicContact CD1-CG 4.35Å; Y456-P458 HydrophobicContact CE1-CG 3.7Å; P458-V460 VanDerWaalsContact C-N 3.33Å; P458-V460 PolarHBondContact O-N 2.64Å; P458-R462 HydrophobicContact CB-CB 4.48Å; P458-R462 HydrophobicContact CG-CB 4.39Å; P458-T465 WeakPolarHBondContact CG-OG1 3.27Å; P458-A466 HydrophobicContact CG-CB 4.39Å
459K88.1Confident96Very high217 Ų21756.4 Ų56.494%0.94327%0.272SS*.SBendtrans-67.7-28.3-178.2-67.6-176.5178.41800114.5
460V87Confident96Very high73 Ų7359.9 Ų59.944%0.44229%0.287SS..SBendtrans-139.3142.3-173.6177.80000108.8I145 P458 R462I145-V460 HydrophobicContact CD1-CG1 4.22Å; P458-V460 VanDerWaalsContact C-N 3.33Å; P458-V460 PolarHBondContact O-N 2.64Å; V460-R462 PolarHBondContact O-N 2.71Å
461L90.2Very high95.9Very high45 Ų4559.7 Ų59.724%0.23630%0.295CS..SBendtrans47.347.2178.7-61.9168.4000112.5D137 H463 F464D137-L461 HydrophobicContact CB-CD2 4.24Å; D137-L461 WeakPolarHBondContact O-CD2 3.44Å; L461-H463 PolarHBondContact O-N 3.33Å; L461-H463 VanDerWaalsContact O-N 3.08Å; L461-F464 HydrophobicContact CB-CD2 3.76Å; L461-F464 HydrophobicContact CB-CE2 4.01Å; L461-F464 HydrophobicContact CD1-CE2 4.22Å; L461-F464 HydrophobicContact CD2-CE2 4.39Å; L461-F464 HydrophobicContact CG-CE2 4.44Å; L461-F464 PolarHBondContact O-N 3.23Å
462R94.5Very high95.8Very high6 Ų662.6 Ų62.62%0.02331%0.309CS..G310 helixtrans-55.6-30.9-16966-176.4-177.9-173.5-1.9114.1S398 F399 E457 P458 V460 F464 T465 A466S398-R462 PolarHBondContact O-NH2 3.34Å; F399-R462 HydrophobicContact CE2-CG 4.41Å; F399-R462 PolarHBondContact O-NE 3.37Å; F399-R462 PolarHBondContact O-NH2 3.31Å; F399-R462 VanDerWaalsContact O-NH2 3.12Å; E457-R462 HydrophobicContact CG-CB 4.34Å; E457-R462 WeakPolarHBondContact OE1-CD 3.34Å; E457-R462 IonicContact OE1-CZ 2.66Å; E457-R462 IonicContact OE1-NE 3.85Å; E457-R462 IonicContact OE1-NH1 3.37Å; E457-R462 PolarHBondContact OE1-NH1 3.01Å; P458-R462 HydrophobicContact CB-CB 4.48Å; P458-R462 HydrophobicContact CG-CB 4.39Å; V460-R462 PolarHBondContact O-N 2.71Å; R462-F464 PolarHBondContact O-N 3.26Å; R462-F464 VanDerWaalsContact O-N 3.16Å; R462-T465 PolarHBondContact O-N 2.62Å; R462-T465 VanDerWaalsContact O-N 3.17Å; R462-A466 HydrophobicContact CB-CB 4.43Å; R462-A466 WeakPolarHBondContact O-CB 3.27Å; R462-A466 PolarHBondContact O-N 3.18Å
463H94.8Very high95.6Very high1 Ų165.8 Ų65.81%0.00533%0.325CS..G310 helixtrans-57.4-30.3-17856.5-89.4000113.4N37 F39 D137 F399 L461 T465N37-H463 PolarHBondContact ND2-O 2.81Å; N37-H463 PolarHBondContact OD1-O 2.78Å; F39-H463 WeakPolarHBondContact CD2-O 3.36Å; F39-H463 AromaticContact CE2-CD2 3.93Å; D137-H463 IonicContact OD2-CE1 3.72Å; D137-H463 IonicContact OD2-NE2 2.66Å; D137-H463 PolarHBondContact OD2-NE2 3.15Å; F399-H463 HydrophobicContact CD1-CB 4.19Å; F399-H463 HydrophobicContact CE1-CB 3.95Å; F399-H463 HydrophobicContact CZ-CB 4.46Å; L461-H463 PolarHBondContact O-N 3.33Å; L461-H463 VanDerWaalsContact O-N 3.08Å; H463-T465 PolarHBondContact O-N 2.66Å
464F95.5Very high95.5Very high59 Ų5966.6 Ų66.626%0.25933%0.325SS..G310 helixtrans-69.9-31.9179-68.4-59000114.6F39 L461 R462F39-F464 AromaticContact CD1-CD1 3.75Å; F39-F464 HydrophobicContact CD1-CD1 3.75Å; F39-F464 HydrophobicContact CD1-CE1 4.23Å; F39-F464 AromaticContact CE1-CD1 3.52Å; F39-F464 HydrophobicContact CE1-CD1 3.52Å; F39-F464 AromaticContact CE1-CE1 3.54Å; F39-F464 HydrophobicContact CE1-CE1 3.54Å; F39-F464 HydrophobicContact CE2-CD1 4.38Å; F39-F464 HydrophobicContact CG-CD1 4.29Å; F39-F464 AromaticContact CZ-CD1 3.86Å; F39-F464 HydrophobicContact CZ-CD1 3.86Å; F39-F464 AromaticContact CZ-CE1 3.76Å; F39-F464 HydrophobicContact CZ-CE1 3.76Å; L461-F464 HydrophobicContact CB-CD2 3.76Å; L461-F464 HydrophobicContact CB-CE2 4.01Å; L461-F464 HydrophobicContact CD1-CE2 4.22Å; L461-F464 HydrophobicContact CD2-CE2 4.39Å; L461-F464 HydrophobicContact CG-CE2 4.44Å; L461-F464 PolarHBondContact O-N 3.23Å; R462-F464 PolarHBondContact O-N 3.26Å; R462-F464 VanDerWaalsContact O-N 3.16Å
465T96.7Very high95.3Very high67 Ų6768.2 Ų68.241%0.41133%0.334SS..THydrogen-bonded Turntrans-139.6-2.6-166.156.90000115.1P458 R462 H463P458-T465 WeakPolarHBondContact CG-OG1 3.27Å; R462-T465 PolarHBondContact O-N 2.62Å; R462-T465 VanDerWaalsContact O-N 3.17Å; H463-T465 PolarHBondContact O-N 2.66Å
466A98Very high95.2Very high0 Ų067.1 Ų67.10%032%0.322CS..  trans-61.4153.1173.300000111.4N37 F399 F454 Y456 P458 R462N37-A466 WeakPolarHBondContact CB-O 3.37Å; N37-A466 PolarHBondContact ND2-O 3.28Å; F399-A466 HydrophobicContact CE2-CB 3.91Å; F399-A466 HydrophobicContact CZ-CB 3.78Å; F454-A466 HydrophobicContact CD1-CB 4.22Å; F454-A466 HydrophobicContact CE1-CB 4Å; Y456-A466 VanDerWaalsContact O-CA 3.31Å; Y456-A466 WeakPolarHBondContact O-CA 3.22Å; Y456-A466 WeakPolarHBondContact O-CB 3.47Å; P458-A466 HydrophobicContact CG-CB 4.39Å; R462-A466 HydrophobicContact CB-CB 4.43Å; R462-A466 WeakPolarHBondContact O-CB 3.27Å; R462-A466 PolarHBondContact O-N 3.18Å
467K98.5Very high95Very high99 Ų9963.1 Ų63.143%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-120.2142.5171.1-58.4-175.1179.4-174.30109L40 T455 Y456L40-K467 HydrophobicContact CD1-CG 4.34Å; T455-K467 PolarHBondContact N-O 2.94Å; T455-K467 VanDerWaalsContact OG1-CB 3.26Å; T455-K467 WeakPolarHBondContact OG1-CB 3.28Å; T455-K467 PolarHBondContact OG1-O 3.12Å; T455-K467 VanDerWaalsContact OG1-O 3.12Å; Y456-K467 PolarHBondContact N-O 3.18Å; Y456-K467 VanDerWaalsContact N-O 3.09Å; Y456-K467 PolarHBondContact O-N 2.56Å
468L98.7Very high94.9Very high6 Ų663.3 Ų63.33%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-131.3168.3-170.6-64.4155.2000110G35 M36 F376 Q379 F399 L452 T453 F454G35-L468 PolarHBondContact O-N 3.22Å; M36-L468 HydrophobicContact CB-CB 4.01Å; F376-L468 HydrophobicContact CD2-CD2 4.13Å; F376-L468 HydrophobicContact CE2-CD2 4.16Å; Q379-L468 HydrophobicContact CG-CD1 3.74Å; F399-L468 HydrophobicContact CE1-CD1 4.16Å; F399-L468 HydrophobicContact CE2-CD1 4.01Å; F399-L468 HydrophobicContact CE2-CD2 4.24Å; F399-L468 HydrophobicContact CE2-CG 4.46Å; F399-L468 HydrophobicContact CZ-CD1 3.74Å; F399-L468 HydrophobicContact CZ-CG 4.48Å; L452-L468 HydrophobicContact CB-CB 4.31Å; L452-L468 HydrophobicContact CB-CD2 4.26Å; L452-L468 HydrophobicContact CD1-CD1 4.11Å; T453-L468 CarbonylContact O-C 3.13Å; T453-L468 WeakPolarHBondContact O-CA 3.41Å; F454-L468 HydrophobicContact CD1-CD2 3.9Å; F454-L468 HydrophobicContact CE1-CD2 4.21Å; F454-L468 HydrophobicContact CG-CD2 4.26Å
469K98.4Very high95Very high115 Ų11567.1 Ų67.150%0.533%0.329SS..EExtended strand (participates in β ladder)trans-147157.1169.164.7178.3179.41770109.5L452 T453 T455L452-K469 CarbonylContact C-O 3.59Å; L452-K469 WeakPolarHBondContact CA-O 3.14Å; T453-K469 HydrophobicContact CG2-CD 4.4Å; T453-K469 HydrophobicContact CG2-CG 3.78Å; T453-K469 PolarHBondContact N-O 3.46Å; T453-K469 PolarHBondContact O-N 3.01Å; T455-K469 HydrophobicContact CG2-CB 3.96Å; T455-K469 HydrophobicContact CG2-CD 3.69Å; T455-K469 HydrophobicContact CG2-CG 3.74Å
470E98.3Very high95.6Very high81 Ų8154.6 Ų54.638%0.37928%0.278SS..EExtended strand (participates in β ladder)trans-65.6150.3174.9-62-178.4164.200112.2M36 K387 K450 G451 L452M36-E470 HydrophobicContact CE-CG 3.91Å; K387-E470 IonicContact NZ-OE1 2.95Å; K450-E470 HydrophobicContact CB-CB 4.03Å; K450-E470 HydrophobicContact CB-CG 4.26Å; K450-E470 HydrophobicContact CD-CB 4.01Å; K450-E470 IonicContact NZ-OE2 2.81Å; G451-E470 CarbonylContact O-C 3.59Å; G451-E470 VanDerWaalsContact O-CA 3.31Å; G451-E470 WeakPolarHBondContact O-CA 3.48Å; L452-E470 HydrophobicContact CD2-CG 4.07Å
471V96.4Very high96.4Very high103 Ų10352.9 Ų52.962%0.62426%0.263SS*.  trans-126.40173.5-70.50000113.2Q375 G451 T453Q375-V471 HydrophobicContact CG-CG2 4.11Å; G451-V471 PolarHBondContact O-N 2.76Å; T453-V471 HydrophobicContact CG2-CG1 3.33Å

Retrieved 471 of 471 residues in 204.3 ms (Link to these results)

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