A0A077YXJ2_TRITR Loading...

N-glycosylase/DNA lyase

AlphaFold DB , UniProt , Accession A0A077YXJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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
1M31.5Very low52.3Low235 Ų235116 Ų116100%1.15859%0.59SS**  088.30-156.4-173.9-72.600106.5G3M1-G3 PolarHBondContact O-N 3.01Å
2Y31.4Very low55.3Low226 Ų226121.1 Ų121.189%0.88660%0.596SS**  trans-73.380.4-178.4-68.1-85.7000108.5S4Y2-S4 VanDerWaalsContact C-N 3.25Å; Y2-S4 PolarHBondContact O-N 3.36Å
3G34.9Very low57.7Low61 Ų61120.2 Ų120.263%0.62959%0.587SS**  trans-66.694.8166.100000106.5M1 K5M1-G3 PolarHBondContact O-N 3.01Å; G3-K5 VanDerWaalsContact C-N 3.28Å; G3-K5 PolarHBondContact O-N 3.04Å
4S36.9Very low60.1Low46 Ų46119.5 Ų119.532%0.32259%0.593SS.*  trans-52.6105.1159.754.10000105.9Y2 F6 K13Y2-S4 VanDerWaalsContact C-N 3.25Å; Y2-S4 PolarHBondContact O-N 3.36Å; S4-F6 PolarHBondContact O-N 3.23Å; S4-K13 PolarHBondContact O-NZ 3.45Å
5K38.3Very low62.3Low172 Ų172114.7 Ų114.775%0.74857%0.571SS**  trans-62.4119.5166.9-105.4-176.9176-178.80103.7G3 S7G3-K5 VanDerWaalsContact C-N 3.28Å; G3-K5 PolarHBondContact O-N 3.04Å; K5-S7 PolarHBondContact O-N 3.48Å
6F49.3Very low64.1Low125 Ų125108.8 Ų108.855%0.54854%0.543SS..  trans-60.899.5144.3-102.1-90.1000103.2S4 R8 C9S4-F6 PolarHBondContact O-N 3.23Å; F6-R8 PolarHBondContact O-N 3.28Å; F6-C9 HydrophobicContact CB-CB 3.45Å; F6-C9 VanDerWaalsContact CB-CB 3.45Å; F6-C9 HydrophobicContact CG-CB 4.32Å; F6-C9 PolarHBondContact O-N 3.31Å
7S57Low65.7Low46 Ų46105.8 Ų105.832%0.32253%0.532SS..THydrogen-bonded Turntrans-49.5-30-161.7-175.20000113.2K5 D100K5-S7 PolarHBondContact O-N 3.48Å; S7-D100 WeakPolarHBondContact CB-OD2 3.46Å
8R65.2Low67.4Low75 Ų75105.9 Ų105.928%0.28353%0.525SS..THydrogen-bonded Turntrans-114.24.4-174.7-52.5179.4-170.2-178.65.4115.3F6 E57 F101 P102F6-R8 PolarHBondContact O-N 3.28Å; R8-E57 IonicContact NH1-OE2 3.84Å; R8-E57 PolarHBondContact NH1-OE2 3.12Å; R8-F101 PolarHBondContact NH2-O 2.91Å; R8-P102 PolarHBondContact NH2-O 3.31Å
9C72.3Confident68.8Low36 Ų36102.8 Ų102.824%0.24351%0.511CS..  trans-82.9116.7178.9169.30000111.1F6 K11 C16F6-C9 HydrophobicContact CB-CB 3.45Å; F6-C9 VanDerWaalsContact CB-CB 3.45Å; F6-C9 HydrophobicContact CG-CB 4.32Å; F6-C9 PolarHBondContact O-N 3.31Å; C9-K11 PolarHBondContact SG-O 2.7Å; C9-C16 HydrophobicContact CB-CB 3.95Å; C9-C16 WeakPolarHBondContact CB-SG 3.4Å; C9-C16 WeakPolarHBondContact SG-CB 3.26Å; C9-C16 CovalentContact SG-SG 2.02Å; C9-C16 PolarHBondContact SG-SG 3.19Å
10T76.7Confident70.1Confident137 Ų137101.9 Ų101.984%0.8450%0.502SS*.  trans-94.7-3.8178.155.80000113.9
11K81.9Confident71.3Confident117 Ų117101.1 Ų101.151%0.50950%0.496SS..SBendtrans-109.4-176.9-178.5-54175.1-176.9170.50110.5C9 D15 D19C9-K11 PolarHBondContact SG-O 2.7Å; K11-D15 HydrophobicContact CB-CB 4.05Å; K11-D15 HydrophobicContact CD-CB 4.39Å; K11-D19 IonicContact NZ-OD1 3.81Å
12R87.7Confident74.4Confident177 Ų17790.6 Ų90.667%0.66844%0.444SS*.  trans-62.2146.3167.7-56.5180-61.5165.95.1109V14 D15 C16R12-V14 VanDerWaalsContact C-N 3.25Å; R12-V14 PolarHBondContact O-N 2.98Å; R12-V14 VanDerWaalsContact O-N 3.16Å; R12-D15 WeakPolarHBondContact CB-OD2 3.47Å; R12-D15 IonicContact CZ-OD1 3.22Å; R12-D15 IonicContact CZ-OD2 3.92Å; R12-D15 IonicContact NE-OD1 2.72Å; R12-D15 IonicContact NE-OD2 3.76Å; R12-D15 PolarHBondContact NE-OD2 2.75Å; R12-D15 IonicContact NH2-OD1 2.87Å; R12-D15 PolarHBondContact NH2-OD1 2.9Å; R12-D15 IonicContact NH2-OD2 2.77Å; R12-D15 PolarHBondContact NH2-OD2 3.35Å; R12-D15 WeakPolarHBondContact O-CA 3.5Å; R12-D15 WeakPolarHBondContact O-CB 3.4Å; R12-D15 PolarHBondContact O-N 3.49Å; R12-C16 PolarHBondContact O-N 3.06Å
13K87.4Confident77.5Confident109 Ų10983.5 Ų83.547%0.47442%0.421SS..Hα-helixtrans-50.6-44.3-178.6-67.2-173.9173.7-1670112.8S4 D15 C16 V17S4-K13 PolarHBondContact O-NZ 3.45Å; K13-D15 VanDerWaalsContact C-N 3.35Å; K13-D15 PolarHBondContact O-N 3.46Å; K13-C16 PolarHBondContact O-N 3.39Å; K13-V17 WeakPolarHBondContact O-CG2 3.34Å; K13-V17 PolarHBondContact O-N 3.43Å
14V91Very high80.4Confident111 Ų11185.9 Ų85.967%0.67342%0.419SS*.Hα-helixtrans-61.4-41.4177.61770000112R12 C16 V17 R18R12-V14 VanDerWaalsContact C-N 3.25Å; R12-V14 PolarHBondContact O-N 2.98Å; R12-V14 VanDerWaalsContact O-N 3.16Å; V14-C16 VanDerWaalsContact C-N 3.34Å; V14-V17 PolarHBondContact O-N 3.39Å; V14-R18 WeakPolarHBondContact O-CB 3.5Å; V14-R18 PolarHBondContact O-N 3.16Å
15D92.4Very high83.3Confident48 Ų4884.3 Ų84.326%0.25741%0.408SS..Hα-helixtrans-69.1-35.3179.4-56.7-33.8000111K11 R12 K13 R18 D19K11-D15 HydrophobicContact CB-CB 4.05Å; K11-D15 HydrophobicContact CD-CB 4.39Å; R12-D15 WeakPolarHBondContact CB-OD2 3.47Å; R12-D15 IonicContact CZ-OD1 3.22Å; R12-D15 IonicContact CZ-OD2 3.92Å; R12-D15 IonicContact NE-OD1 2.72Å; R12-D15 IonicContact NE-OD2 3.76Å; R12-D15 PolarHBondContact NE-OD2 2.75Å; R12-D15 IonicContact NH2-OD1 2.87Å; R12-D15 PolarHBondContact NH2-OD1 2.9Å; R12-D15 IonicContact NH2-OD2 2.77Å; R12-D15 PolarHBondContact NH2-OD2 3.35Å; R12-D15 WeakPolarHBondContact O-CA 3.5Å; R12-D15 WeakPolarHBondContact O-CB 3.4Å; R12-D15 PolarHBondContact O-N 3.49Å; K13-D15 VanDerWaalsContact C-N 3.35Å; K13-D15 PolarHBondContact O-N 3.46Å; D15-R18 PolarHBondContact O-N 2.85Å; D15-D19 VanDerWaalsContact O-CB 3.24Å; D15-D19 WeakPolarHBondContact O-CB 3.23Å; D15-D19 PolarHBondContact O-N 3.38Å
16C90.8Very high86Confident20 Ų2080 Ų8014%0.13540%0.397CS..Hα-helixtrans-65.5-42.9173.7-72.90000112.2C9 R12 K13 V14 D19 Y20C9-C16 HydrophobicContact CB-CB 3.95Å; C9-C16 WeakPolarHBondContact CB-SG 3.4Å; C9-C16 WeakPolarHBondContact SG-CB 3.26Å; C9-C16 CovalentContact SG-SG 2.02Å; C9-C16 PolarHBondContact SG-SG 3.19Å; R12-C16 PolarHBondContact O-N 3.06Å; K13-C16 PolarHBondContact O-N 3.39Å; V14-C16 VanDerWaalsContact C-N 3.34Å; C16-D19 PolarHBondContact O-N 3.27Å; C16-Y20 VanDerWaalsContact O-CB 3.28Å; C16-Y20 WeakPolarHBondContact O-CB 3.42Å; C16-Y20 PolarHBondContact O-N 2.93Å
17V92.7Very high88.3Confident58 Ų5874.7 Ų74.735%0.35237%0.374SS..Hα-helixtrans-63.3-44174.7172.30000110.7K13 V14 D19 Y20 F21K13-V17 WeakPolarHBondContact O-CG2 3.34Å; K13-V17 PolarHBondContact O-N 3.43Å; V14-V17 PolarHBondContact O-N 3.39Å; V17-D19 VanDerWaalsContact C-N 3.34Å; V17-D19 PolarHBondContact O-N 3.46Å; V17-Y20 PolarHBondContact O-N 3.44Å; V17-F21 HydrophobicContact CG1-CD2 3.68Å; V17-F21 HydrophobicContact CG1-CE2 3.8Å; V17-F21 VanDerWaalsContact O-CD2 3.27Å; V17-F21 WeakPolarHBondContact O-CD2 3.25Å; V17-F21 PolarHBondContact O-N 3.08Å; V17-F21 VanDerWaalsContact O-N 3.08Å
18R95.1Very high90.2Very high107 Ų10774.5 Ų74.540%0.40438%0.379SS..Hα-helixtrans-59.9-43.5177.1-168.1-175178.781.9-2.7112V14 D15 Q22 L23 D24V14-R18 WeakPolarHBondContact O-CB 3.5Å; V14-R18 PolarHBondContact O-N 3.16Å; D15-R18 PolarHBondContact O-N 2.85Å; R18-Q22 PolarHBondContact O-N 2.66Å; R18-Q22 VanDerWaalsContact O-N 3.13Å; R18-L23 HydrophobicContact CB-CD1 4.43Å; R18-L23 HydrophobicContact CG-CB 3.82Å; R18-L23 HydrophobicContact CG-CD1 4.12Å; R18-L23 HydrophobicContact CG-CG 4.25Å; R18-L23 PolarHBondContact O-N 3.08Å; R18-D24 IonicContact CZ-OD1 3.93Å; R18-D24 IonicContact NE-OD1 3.28Å; R18-D24 PolarHBondContact NE-OD1 2.75Å; R18-D24 IonicContact NE-OD2 2.62Å; R18-D24 PolarHBondContact NE-OD2 2.8Å; R18-D24 IonicContact NH2-OD1 3.14Å; R18-D24 PolarHBondContact NH2-OD1 3.23Å
19D94.3Very high91.8Very high47 Ų4774.9 Ų74.925%0.25139%0.392SS..Hα-helixtrans-66.8-47.5178.2-173.280.5000111.8K11 D15 C16 V17 F21 Q22 R55K11-D19 IonicContact NZ-OD1 3.81Å; D15-D19 VanDerWaalsContact O-CB 3.24Å; D15-D19 WeakPolarHBondContact O-CB 3.23Å; D15-D19 PolarHBondContact O-N 3.38Å; C16-D19 PolarHBondContact O-N 3.27Å; V17-D19 VanDerWaalsContact C-N 3.34Å; V17-D19 PolarHBondContact O-N 3.46Å; D19-F21 PolarHBondContact O-N 2.93Å; D19-Q22 PolarHBondContact O-N 3.25Å; D19-R55 IonicContact OD1-CZ 2.65Å; D19-R55 IonicContact OD1-NH1 3.81Å; D19-R55 PolarHBondContact OD1-NH1 2.98Å; D19-R55 WeakPolarHBondContact OD2-CD 3.47Å; D19-R55 IonicContact OD2-NH1 3.74Å
20Y95.1Very high93Very high84 Ų8473.8 Ų73.833%0.32938%0.383SS..Hα-helixtrans-59.7-45.2179.9-179.1-100.8000112.6C16 V17 Q22 L54 R55 Q56C16-Y20 VanDerWaalsContact O-CB 3.28Å; C16-Y20 WeakPolarHBondContact O-CB 3.42Å; C16-Y20 PolarHBondContact O-N 2.93Å; V17-Y20 PolarHBondContact O-N 3.44Å; Y20-Q22 VanDerWaalsContact C-N 3.26Å; Y20-Q22 PolarHBondContact O-N 2.74Å; Y20-L54 HydrophobicContact CD1-CD2 4.27Å; Y20-L54 HydrophobicContact CE1-CB 4.45Å; Y20-L54 HydrophobicContact CE1-CD1 3.9Å; Y20-L54 HydrophobicContact CE1-CD2 3.93Å; Y20-L54 HydrophobicContact CE1-CG 4.31Å; Y20-L54 WeakPolarHBondContact O-CA 3.36Å; Y20-L54 WeakPolarHBondContact OH-CD1 3.3Å; Y20-R55 WeakPolarHBondContact CD2-O 3.5Å; Y20-R55 PolarHBondContact O-N 3.15Å; Y20-Q56 HydrophobicContact CE2-CG 4.05Å
21F96.1Very high94.1Very high87 Ų8768.5 Ų68.538%0.38235%0.348SS..THydrogen-bonded Turntrans-82.80.1176.5-68.8-64.8000113.8V17 D19 L23 R52 L54V17-F21 HydrophobicContact CG1-CD2 3.68Å; V17-F21 HydrophobicContact CG1-CE2 3.8Å; V17-F21 VanDerWaalsContact O-CD2 3.27Å; V17-F21 WeakPolarHBondContact O-CD2 3.25Å; V17-F21 PolarHBondContact O-N 3.08Å; V17-F21 VanDerWaalsContact O-N 3.08Å; D19-F21 PolarHBondContact O-N 2.93Å; F21-L23 VanDerWaalsContact C-N 3.31Å; F21-L23 HydrophobicContact CB-CD2 3.62Å; F21-L23 HydrophobicContact CB-CG 3.91Å; F21-L23 PolarHBondContact O-N 3.11Å; F21-R52 WeakPolarHBondContact O-CD 3.13Å; F21-L54 HydrophobicContact CD1-CD2 3.54Å; F21-L54 HydrophobicContact CE1-CD2 3.88Å
22Q96.5Very high94.8Very high14 Ų1467.5 Ų67.57%0.06535%0.348CS..THydrogen-bonded Turntrans4949.3-178.3-61.2-164.772.200112.6R18 D19 Y20 D24 T25 R52 V53 R55 W229R18-Q22 PolarHBondContact O-N 2.66Å; R18-Q22 VanDerWaalsContact O-N 3.13Å; D19-Q22 PolarHBondContact O-N 3.25Å; Y20-Q22 VanDerWaalsContact C-N 3.26Å; Y20-Q22 PolarHBondContact O-N 2.74Å; Q22-D24 PolarHBondContact O-N 3.47Å; Q22-T25 WeakPolarHBondContact O-CB 3.39Å; Q22-T25 PolarHBondContact O-N 3.41Å; Q22-T25 VanDerWaalsContact O-N 3.1Å; Q22-R52 PolarHBondContact O-NH1 3.09Å; Q22-R52 VanDerWaalsContact O-NH1 3.13Å; Q22-V53 PolarHBondContact NE2-O 3.09Å; Q22-R55 HydrophobicContact CG-CB 3.74Å; Q22-W229 HydrophobicContact CB-CH2 3.8Å; Q22-W229 HydrophobicContact CB-CZ2 4.25Å; Q22-W229 HydrophobicContact CG-CH2 4.44Å; Q22-W229 HydrophobicContact CG-CZ2 4.48Å; Q22-W229 VanDerWaalsContact NE2-CZ2 3.33Å
23L96.4Very high95.3Very high76 Ų7663.4 Ų63.440%0.39834%0.337SS..THydrogen-bonded Turntrans-69.6-17-173.3-58.5-176000113.6R18 F21 T25R18-L23 HydrophobicContact CB-CD1 4.43Å; R18-L23 HydrophobicContact CG-CB 3.82Å; R18-L23 HydrophobicContact CG-CD1 4.12Å; R18-L23 HydrophobicContact CG-CG 4.25Å; R18-L23 PolarHBondContact O-N 3.08Å; F21-L23 VanDerWaalsContact C-N 3.31Å; F21-L23 HydrophobicContact CB-CD2 3.62Å; F21-L23 HydrophobicContact CB-CG 3.91Å; F21-L23 PolarHBondContact O-N 3.11Å; L23-T25 VanDerWaalsContact C-N 3.27Å
24D95.9Very high95.9Very high112 Ų11258.3 Ų58.360%0.59932%0.315SS*.THydrogen-bonded Turntrans-74.8-15173.4-65.7-54.5000113.2R18 Q22 P26R18-D24 IonicContact CZ-OD1 3.93Å; R18-D24 IonicContact NE-OD1 3.28Å; R18-D24 PolarHBondContact NE-OD1 2.75Å; R18-D24 IonicContact NE-OD2 2.62Å; R18-D24 PolarHBondContact NE-OD2 2.8Å; R18-D24 IonicContact NH2-OD1 3.14Å; R18-D24 PolarHBondContact NH2-OD1 3.23Å; Q22-D24 PolarHBondContact O-N 3.47Å; D24-P26 WeakPolarHBondContact O-CD 3.47Å
25T96.8Very high96.2Very high13 Ų1354.8 Ų54.88%0.0830%0.297CS..SBendtrans-77.7117.8175.3-59.90000109.5Q22 L23 L27 L30 R52 Y226 W229Q22-T25 WeakPolarHBondContact O-CB 3.39Å; Q22-T25 PolarHBondContact O-N 3.41Å; Q22-T25 VanDerWaalsContact O-N 3.1Å; L23-T25 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.46Å; T25-L30 HydrophobicContact CG2-CD1 3.6Å; T25-R52 PolarHBondContact O-NH1 3.27Å; T25-Y226 HydrophobicContact CG2-CD1 4.41Å; T25-Y226 HydrophobicContact CG2-CE1 3.74Å; T25-W229 HydrophobicContact CG2-CH2 3.99Å; T25-W229 HydrophobicContact CG2-CZ2 4.31Å; T25-W229 HydrophobicContact CG2-CZ3 4.28Å
26P96.2Very high96.5Very high81 Ų8160.5 Ų60.553%0.52632%0.322SS..  trans-73.592.1-174.930.2-35000110.9D24 P29 L30D24-P26 WeakPolarHBondContact O-CD 3.47Å; P26-P29 HydrophobicContact CB-CG 4.28Å; P26-L30 WeakPolarHBondContact O-CG 3.46Å; P26-L30 PolarHBondContact O-N 3.4Å
27L97.2Very high96.8Very high14 Ų1461.6 Ų61.67%0.07333%0.331CS..Hα-helixtrans-70.3-38.2-169.9-168.966.4000114.2T25 L30 Y31 W34 R52 W229T25-L27 PolarHBondContact O-N 3.46Å; L27-L30 WeakPolarHBondContact O-CB 3.3Å; L27-L30 PolarHBondContact O-N 3.36Å; L27-Y31 HydrophobicContact CD1-CD2 3.87Å; L27-Y31 HydrophobicContact CD1-CE2 3.72Å; L27-Y31 HydrophobicContact CD2-CD2 4.47Å; L27-Y31 HydrophobicContact CD2-CE2 4.04Å; L27-Y31 HydrophobicContact CG-CD2 3.75Å; L27-Y31 HydrophobicContact CG-CE2 3.74Å; L27-Y31 WeakPolarHBondContact O-CD2 3.5Å; L27-Y31 PolarHBondContact O-N 2.92Å; L27-W34 HydrophobicContact CD1-CH2 4.49Å; L27-R52 HydrophobicContact CD1-CG 4.35Å; L27-R52 HydrophobicContact CD2-CG 3.67Å; L27-W229 HydrophobicContact CD1-CE3 4.1Å; L27-W229 HydrophobicContact CD1-CZ3 4.15Å
28G97.2Very high97.1Very high41 Ų4159.4 Ų59.442%0.42332%0.317SS..Hα-helixtrans-56.4-57179.400000112.4L30 Y31 D32G28-L30 PolarHBondContact O-N 2.72Å; G28-Y31 WeakPolarHBondContact O-CB 3.23Å; G28-Y31 PolarHBondContact O-N 3.04Å; G28-D32 PolarHBondContact O-N 3.43Å
29P97.9Very high97.2Very high84 Ų8462.8 Ų62.855%0.54534%0.337SS..Hα-helixtrans-56.5-33.4175.6-29.136.4000114.4P26 Q33P26-P29 HydrophobicContact CB-CG 4.28Å; P29-Q33 WeakPolarHBondContact O-CB 3.37Å; P29-Q33 PolarHBondContact O-N 3.07Å
30L98.3Very high97.3Very high13 Ų1361.9 Ų61.97%0.06833%0.332CS..Hα-helixtrans-67.1-46.2174.9-71.8175.1000111.7T25 P26 L27 G28 D32 Q33 W34 Y226T25-L30 HydrophobicContact CG2-CD1 3.6Å; P26-L30 WeakPolarHBondContact O-CG 3.46Å; P26-L30 PolarHBondContact O-N 3.4Å; L27-L30 WeakPolarHBondContact O-CB 3.3Å; L27-L30 PolarHBondContact O-N 3.36Å; G28-L30 PolarHBondContact O-N 2.72Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 3.06Å; L30-Q33 PolarHBondContact O-N 2.92Å; L30-W34 HydrophobicContact CB-CD2 4.34Å; L30-W34 HydrophobicContact CB-CE3 4.33Å; L30-W34 HydrophobicContact CB-CH2 3.67Å; L30-W34 HydrophobicContact CB-CZ2 3.63Å; L30-W34 HydrophobicContact CB-CZ3 4.04Å; L30-W34 HydrophobicContact CD1-CH2 4.14Å; L30-W34 HydrophobicContact CD1-CZ2 4.08Å; L30-W34 HydrophobicContact CD2-CZ2 4.14Å; L30-W34 HydrophobicContact CG-CH2 4.44Å; L30-W34 HydrophobicContact CG-CZ2 4.17Å; L30-W34 WeakPolarHBondContact O-CB 3.37Å; L30-W34 PolarHBondContact O-N 3.19Å; L30-Y226 HydrophobicContact CD1-CD1 4.28Å; L30-Y226 HydrophobicContact CD1-CD2 4.11Å; L30-Y226 HydrophobicContact CD1-CE2 4.45Å; L30-Y226 HydrophobicContact CD1-CG 4.02Å; L30-Y226 HydrophobicContact CD2-CD2 3.61Å; L30-Y226 HydrophobicContact CD2-CE2 4.26Å; L30-Y226 HydrophobicContact CD2-CG 4.06Å
31Y98.4Very high97.5Very high25 Ų2558 Ų5810%0.09832%0.316CS..Hα-helixtrans-58.8-43.3174.3-95.1-109.7000111.9L27 G28 W34 A35 F41 L48 G50 I51 V233L27-Y31 HydrophobicContact CD1-CD2 3.87Å; L27-Y31 HydrophobicContact CD1-CE2 3.72Å; L27-Y31 HydrophobicContact CD2-CD2 4.47Å; L27-Y31 HydrophobicContact CD2-CE2 4.04Å; L27-Y31 HydrophobicContact CG-CD2 3.75Å; L27-Y31 HydrophobicContact CG-CE2 3.74Å; L27-Y31 WeakPolarHBondContact O-CD2 3.5Å; L27-Y31 PolarHBondContact O-N 2.92Å; G28-Y31 WeakPolarHBondContact O-CB 3.23Å; G28-Y31 PolarHBondContact O-N 3.04Å; Y31-W34 AromaticContact CD2-CE3 4Å; Y31-W34 HydrophobicContact CD2-CE3 4Å; Y31-W34 AromaticContact CD2-CZ3 3.61Å; Y31-W34 HydrophobicContact CD2-CZ3 3.61Å; Y31-W34 HydrophobicContact CE2-CE3 4.47Å; Y31-W34 AromaticContact CE2-CZ3 3.84Å; Y31-W34 HydrophobicContact CE2-CZ3 3.84Å; Y31-W34 HydrophobicContact CG-CE3 4.31Å; Y31-W34 HydrophobicContact CG-CZ3 4.37Å; Y31-W34 PolarHBondContact O-N 3.31Å; Y31-A35 VanDerWaalsContact O-CB 3.26Å; Y31-A35 WeakPolarHBondContact O-CB 3.46Å; Y31-A35 PolarHBondContact O-N 2.91Å; Y31-F41 HydrophobicContact CD1-CE1 4.25Å; Y31-F41 HydrophobicContact CD1-CZ 4.32Å; Y31-F41 HydrophobicContact CE1-CZ 4.39Å; Y31-L48 WeakPolarHBondContact CE1-O 3.47Å; Y31-L48 PolarHBondContact OH-O 2.85Å; Y31-G50 PolarHBondContact OH-N 3.09Å; Y31-I51 WeakPolarHBondContact OH-CB 3.46Å; Y31-I51 PolarHBondContact OH-N 3.28Å; Y31-V233 HydrophobicContact CE1-CG1 4.37Å; Y31-V233 HydrophobicContact CE2-CG2 4.31Å
32D98.1Very high97.6Very high97 Ų9754.9 Ų54.952%0.51931%0.307SS..Hα-helixtrans-61-46.3176.7-65-29.7000111.3G28 L30 A35 Q36G28-D32 PolarHBondContact O-N 3.43Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 3.06Å; D32-A35 PolarHBondContact O-N 3.16Å; D32-Q36 WeakPolarHBondContact O-CB 3.49Å; D32-Q36 VanDerWaalsContact O-CG 3.23Å; D32-Q36 WeakPolarHBondContact O-CG 3.45Å; D32-Q36 PolarHBondContact O-N 3.05Å
33Q98.2Very high97.6Very high91 Ų9159.2 Ų59.243%0.42533%0.327SS..Hα-helixtrans-60.8-46.8177.3-178.7-172.1-20.500111.8P29 L30 Q36 S37P29-Q33 WeakPolarHBondContact O-CB 3.37Å; P29-Q33 PolarHBondContact O-N 3.07Å; L30-Q33 PolarHBondContact O-N 2.92Å; Q33-Q36 PolarHBondContact O-N 2.95Å; Q33-S37 WeakPolarHBondContact O-CB 3.43Å; Q33-S37 PolarHBondContact O-N 3.04Å; Q33-S37 PolarHBondContact O-OG 3.13Å
34W98.4Very high97.6Very high1 Ų155.6 Ų55.60%0.00431%0.308CS..Hα-helixtrans-66.9-40.5-178.9-58.7-31.5000111.8L27 L30 Y31 Q36 S37 D38 F41 F223 W229 A230 V233L27-W34 HydrophobicContact CD1-CH2 4.49Å; L30-W34 HydrophobicContact CB-CD2 4.34Å; L30-W34 HydrophobicContact CB-CE3 4.33Å; L30-W34 HydrophobicContact CB-CH2 3.67Å; L30-W34 HydrophobicContact CB-CZ2 3.63Å; L30-W34 HydrophobicContact CB-CZ3 4.04Å; L30-W34 HydrophobicContact CD1-CH2 4.14Å; L30-W34 HydrophobicContact CD1-CZ2 4.08Å; L30-W34 HydrophobicContact CD2-CZ2 4.14Å; L30-W34 HydrophobicContact CG-CH2 4.44Å; L30-W34 HydrophobicContact CG-CZ2 4.17Å; L30-W34 WeakPolarHBondContact O-CB 3.37Å; L30-W34 PolarHBondContact O-N 3.19Å; Y31-W34 AromaticContact CD2-CE3 4Å; Y31-W34 HydrophobicContact CD2-CE3 4Å; Y31-W34 AromaticContact CD2-CZ3 3.61Å; Y31-W34 HydrophobicContact CD2-CZ3 3.61Å; Y31-W34 HydrophobicContact CE2-CE3 4.47Å; Y31-W34 AromaticContact CE2-CZ3 3.84Å; Y31-W34 HydrophobicContact CE2-CZ3 3.84Å; Y31-W34 HydrophobicContact CG-CE3 4.31Å; Y31-W34 HydrophobicContact CG-CZ3 4.37Å; Y31-W34 PolarHBondContact O-N 3.31Å; W34-Q36 VanDerWaalsContact C-N 3.34Å; W34-Q36 PolarHBondContact O-N 3.19Å; W34-S37 PolarHBondContact O-N 2.97Å; W34-S37 VanDerWaalsContact O-N 3.16Å; W34-D38 PolarHBondContact O-N 3.45Å; W34-D38 VanDerWaalsContact O-N 3.08Å; W34-F41 HydrophobicContact CB-CD1 3.45Å; W34-F41 VanDerWaalsContact CB-CD1 3.45Å; W34-F41 HydrophobicContact CB-CD2 4.26Å; W34-F41 HydrophobicContact CB-CE1 3.39Å; W34-F41 HydrophobicContact CB-CE2 4.19Å; W34-F41 HydrophobicContact CB-CG 3.94Å; W34-F41 HydrophobicContact CB-CZ 3.81Å; W34-F41 HydrophobicContact CD2-CE1 4.43Å; W34-F41 HydrophobicContact CD2-CE2 4.47Å; W34-F41 HydrophobicContact CD2-CZ 4.07Å; W34-F41 AromaticContact CE3-CE1 3.9Å; W34-F41 HydrophobicContact CE3-CE1 3.9Å; W34-F41 HydrophobicContact CE3-CE2 4Å; W34-F41 AromaticContact CE3-CZ 3.35Å; W34-F41 HydrophobicContact CE3-CZ 3.35Å; W34-F41 HydrophobicContact CG-CE1 4.31Å; W34-F41 HydrophobicContact CG-CZ 4.31Å; W34-F41 HydrophobicContact CZ3-CZ 4.18Å; W34-F223 HydrophobicContact CB-CD1 3.91Å; W34-F223 HydrophobicContact CB-CE1 4.24Å; W34-F223 AromaticContact CD1-CD1 3.81Å; W34-F223 AromaticContact CG-CD1 4Å; W34-F223 HydrophobicContact CG-CD1 4Å; W34-F223 PolarHBondContact NE1-O 3.33Å; W34-W229 HydrophobicContact CH2-CB 3.46Å; W34-W229 VanDerWaalsContact CH2-CB 3.46Å; W34-W229 HydrophobicContact CH2-CG 4.46Å; W34-W229 HydrophobicContact CZ2-CB 3.74Å; W34-W229 HydrophobicContact CZ3-CB 4.47Å; W34-A230 HydrophobicContact CB-CB 4.45Å; W34-A230 HydrophobicContact CD2-CB 3.64Å; W34-A230 HydrophobicContact CE3-CB 4.1Å; W34-A230 HydrophobicContact CG-CB 3.81Å; W34-A230 HydrophobicContact CZ2-CB 4.32Å; W34-V233 HydrophobicContact CZ3-CG2 4.49Å
35A98.2Very high97.7Very high38 Ų3850.7 Ų50.731%0.31428%0.284SS..Hα-helixtrans-65.7-34.2175.900000112.7Y31 D32 S37 F41 A42Y31-A35 VanDerWaalsContact O-CB 3.26Å; Y31-A35 WeakPolarHBondContact O-CB 3.46Å; Y31-A35 PolarHBondContact O-N 2.91Å; D32-A35 PolarHBondContact O-N 3.16Å; A35-S37 VanDerWaalsContact C-N 3.31Å; A35-F41 HydrophobicContact CB-CD1 4.36Å; A35-A42 HydrophobicContact CB-CB 3.89Å; A35-A42 WeakPolarHBondContact O-CB 3.45Å
36Q98.1Very high97.7Very high167 Ų16758.3 Ų58.378%0.7832%0.316SS*.Hα-helixtrans-71.2-28.9172.9-72.1170.22800112.6D32 Q33 W34D32-Q36 WeakPolarHBondContact O-CB 3.49Å; D32-Q36 VanDerWaalsContact O-CG 3.23Å; D32-Q36 WeakPolarHBondContact O-CG 3.45Å; D32-Q36 PolarHBondContact O-N 3.05Å; Q33-Q36 PolarHBondContact O-N 2.95Å; W34-Q36 VanDerWaalsContact C-N 3.34Å; W34-Q36 PolarHBondContact O-N 3.19Å
37S97.6Very high97.7Very high44 Ų4460.4 Ų60.431%0.30831%0.313SS..Hα-helixtrans-84.7-22.2-176-58.20000113.1Q33 W34 A35 R222Q33-S37 WeakPolarHBondContact O-CB 3.43Å; Q33-S37 PolarHBondContact O-N 3.04Å; Q33-S37 PolarHBondContact O-OG 3.13Å; W34-S37 PolarHBondContact O-N 2.97Å; W34-S37 VanDerWaalsContact O-N 3.16Å; A35-S37 VanDerWaalsContact C-N 3.31Å; S37-R222 VanDerWaalsContact O-CD 3.25Å; S37-R222 WeakPolarHBondContact O-CD 3.16Å; S37-R222 PolarHBondContact O-NH1 3.22Å
38D98Very high97.5Very high12 Ų1261.6 Ų61.66%0.06432%0.32CS..  trans-152.9123.8-172.1-17175000113.3W34 H40 F41 A42 Y197 R222 F223W34-D38 PolarHBondContact O-N 3.45Å; W34-D38 VanDerWaalsContact O-N 3.08Å; D38-H40 WeakPolarHBondContact OD2-CB 3.44Å; D38-H40 PolarHBondContact OD2-N 3.07Å; D38-F41 HydrophobicContact CB-CB 3.92Å; D38-F41 PolarHBondContact O-N 2.92Å; D38-F41 PolarHBondContact OD2-N 3.34Å; D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 2.99Å; D38-Y197 VanDerWaalsContact OD1-CE1 3.3Å; D38-Y197 WeakPolarHBondContact OD1-CE1 3.25Å; D38-Y197 WeakPolarHBondContact OD2-CE1 3.48Å; D38-Y197 PolarHBondContact OD2-OH 2.77Å; D38-R222 HydrophobicContact CB-CG 4.27Å; D38-R222 IonicContact OD1-CZ 3.76Å; D38-R222 IonicContact OD1-NE 2.7Å; D38-R222 IonicContact OD1-NH1 3.77Å; D38-F223 HydrophobicContact CB-CE1 3.72Å; D38-F223 HydrophobicContact CB-CZ 3.87Å
39E97.6Very high97.3Very high177 Ų17764.3 Ų64.383%0.82733%0.329SS*.Hα-helixtrans-67.2-38.5-177.4-66.1-179.7179.300112.9A42 E43E39-A42 WeakPolarHBondContact O-CB 3.37Å; E39-A42 PolarHBondContact O-N 3.33Å; E39-E43 PolarHBondContact O-N 3.01Å; E39-E43 VanDerWaalsContact O-N 3.12Å
40H97.6Very high97.2Very high29 Ų2962.6 Ų62.613%0.13433%0.327CS..Hα-helixtrans-66.4-43.3178.3179.859.4000110.8D38 A42 E43 V44 H196 Y197D38-H40 WeakPolarHBondContact OD2-CB 3.44Å; D38-H40 PolarHBondContact OD2-N 3.07Å; H40-A42 VanDerWaalsContact C-N 3.32Å; H40-A42 PolarHBondContact O-N 2.67Å; H40-E43 PolarHBondContact O-N 3.21Å; H40-V44 WeakPolarHBondContact O-CG2 3.5Å; H40-V44 PolarHBondContact O-N 3.37Å; H40-H196 HydrophobicContact CB-CB 4.48Å; H40-H196 AromaticContact CD2-CD2 3.9Å; H40-H196 AromaticContact CD2-CG 3.73Å; H40-H196 AromaticContact CE1-CD2 3.5Å; H40-H196 AromaticContact CE1-CE1 3.35Å; H40-H196 PolarHBondContact CE1-CE1 2.83Å; H40-H196 AromaticContact CE1-CG 3.69Å; H40-H196 AromaticContact CE1-ND1 3.6Å; H40-H196 AromaticContact CE1-NE2 3.27Å; H40-H196 PolarHBondContact CE1-NE2 3.28Å; H40-H196 VanDerWaalsContact CE1-NE2 3.27Å; H40-H196 AromaticContact CG-CG 3.78Å; H40-H196 AromaticContact CG-ND1 3.8Å; H40-H196 AromaticContact ND1-CE1 3.53Å; H40-H196 AromaticContact ND1-CG 3.76Å; H40-H196 AromaticContact ND1-ND1 3.43Å; H40-H196 PolarHBondContact ND1-ND1 2.84Å; H40-H196 AromaticContact ND1-NE2 3.9Å; H40-H196 AromaticContact NE2-CD2 3.41Å; H40-H196 PolarHBondContact NE2-CD2 2.98Å; H40-H196 AromaticContact NE2-CG 3.71Å; H40-H196 AromaticContact NE2-NE2 3.65Å; H40-Y197 HydrophobicContact CB-CE1 4.24Å; H40-Y197 AromaticContact CD2-CZ 3.9Å; H40-Y197 PolarHBondContact CD2-OH 3.49Å
41F98.4Very high97.1Very high1 Ų164.4 Ų64.40%0.00434%0.336CS..Hα-helixtrans-59.3-42.7170.4-171.4-80.8000111.7Y31 W34 A35 D38 E43 V44 G45 F223 A230 V233 L234Y31-F41 HydrophobicContact CD1-CE1 4.25Å; Y31-F41 HydrophobicContact CD1-CZ 4.32Å; Y31-F41 HydrophobicContact CE1-CZ 4.39Å; W34-F41 HydrophobicContact CB-CD1 3.45Å; W34-F41 VanDerWaalsContact CB-CD1 3.45Å; W34-F41 HydrophobicContact CB-CD2 4.26Å; W34-F41 HydrophobicContact CB-CE1 3.39Å; W34-F41 HydrophobicContact CB-CE2 4.19Å; W34-F41 HydrophobicContact CB-CG 3.94Å; W34-F41 HydrophobicContact CB-CZ 3.81Å; W34-F41 HydrophobicContact CD2-CE1 4.43Å; W34-F41 HydrophobicContact CD2-CE2 4.47Å; W34-F41 HydrophobicContact CD2-CZ 4.07Å; W34-F41 AromaticContact CE3-CE1 3.9Å; W34-F41 HydrophobicContact CE3-CE1 3.9Å; W34-F41 HydrophobicContact CE3-CE2 4Å; W34-F41 AromaticContact CE3-CZ 3.35Å; W34-F41 HydrophobicContact CE3-CZ 3.35Å; W34-F41 HydrophobicContact CG-CE1 4.31Å; W34-F41 HydrophobicContact CG-CZ 4.31Å; W34-F41 HydrophobicContact CZ3-CZ 4.18Å; A35-F41 HydrophobicContact CB-CD1 4.36Å; D38-F41 HydrophobicContact CB-CB 3.92Å; D38-F41 PolarHBondContact O-N 2.92Å; D38-F41 PolarHBondContact OD2-N 3.34Å; F41-E43 PolarHBondContact O-N 3.49Å; F41-V44 PolarHBondContact O-N 3.1Å; F41-G45 WeakPolarHBondContact O-CA 3.4Å; F41-G45 PolarHBondContact O-N 2.93Å; F41-F223 HydrophobicContact CB-CE1 3.88Å; F41-F223 HydrophobicContact CB-CZ 4.18Å; F41-F223 HydrophobicContact CD2-CE1 4.01Å; F41-F223 HydrophobicContact CD2-CZ 4.36Å; F41-F223 HydrophobicContact CG-CE1 4Å; F41-A230 HydrophobicContact CD2-CB 4.12Å; F41-A230 HydrophobicContact CE2-CB 3.79Å; F41-A230 WeakPolarHBondContact CE2-O 3.46Å; F41-V233 HydrophobicContact CE2-CB 3.76Å; F41-V233 HydrophobicContact CE2-CG1 4.24Å; F41-V233 HydrophobicContact CE2-CG2 3.9Å; F41-V233 HydrophobicContact CZ-CB 4.14Å; F41-V233 HydrophobicContact CZ-CG1 4.29Å; F41-V233 HydrophobicContact CZ-CG2 3.97Å; F41-L234 HydrophobicContact CB-CD2 4.42Å; F41-L234 HydrophobicContact CD2-CD1 4.28Å; F41-L234 HydrophobicContact CD2-CD2 4.05Å; F41-L234 HydrophobicContact CD2-CG 3.98Å
42A98.1Very high97Very high23 Ų2366.9 Ų66.919%0.1935%0.346CS..Hα-helixtrans-59.1-35.1179.700000112.9A35 D38 E39 H40 K46A35-A42 HydrophobicContact CB-CB 3.89Å; A35-A42 WeakPolarHBondContact O-CB 3.45Å; D38-A42 WeakPolarHBondContact O-CB 3.42Å; D38-A42 PolarHBondContact O-N 2.99Å; E39-A42 WeakPolarHBondContact O-CB 3.37Å; E39-A42 PolarHBondContact O-N 3.33Å; H40-A42 VanDerWaalsContact C-N 3.32Å; H40-A42 PolarHBondContact O-N 2.67Å; A42-K46 WeakPolarHBondContact O-CD 3.49Å; A42-K46 WeakPolarHBondContact O-CG 3.41Å
43E97.2Very high97Very high105 Ų10562.4 Ų62.449%0.49132%0.322SS..Hα-helixtrans-71.6-51.6173.4-168.9-163.1129.800111.5E39 H40 F41 G45 K46 R47E39-E43 PolarHBondContact O-N 3.01Å; E39-E43 VanDerWaalsContact O-N 3.12Å; H40-E43 PolarHBondContact O-N 3.21Å; F41-E43 PolarHBondContact O-N 3.49Å; E43-G45 PolarHBondContact O-N 3.15Å; E43-K46 PolarHBondContact O-N 3.18Å; E43-R47 IonicContact OE1-CZ 3.55Å; E43-R47 IonicContact OE1-NH1 2.7Å; E43-R47 PolarHBondContact OE1-NH1 3.32Å; E43-R47 IonicContact OE1-NH2 3.82Å
44V97.1Very high96.9Very high0 Ų060.5 Ų60.50%031%0.314CS..Hα-helixtrans-64.1-43.1-176.5171.40000111.8H40 F41 K46 R47 L48 V233 L234 N237H40-V44 WeakPolarHBondContact O-CG2 3.5Å; H40-V44 PolarHBondContact O-N 3.37Å; F41-V44 PolarHBondContact O-N 3.1Å; V44-K46 PolarHBondContact O-N 3.25Å; V44-R47 PolarHBondContact O-N 3.35Å; V44-L48 PolarHBondContact O-N 3.02Å; V44-V233 HydrophobicContact CG1-CG1 4.22Å; V44-L234 HydrophobicContact CB-CD2 4.03Å; V44-L234 HydrophobicContact CG1-CD2 4.13Å; V44-L234 HydrophobicContact CG2-CD2 4.05Å; V44-N237 HydrophobicContact CG1-CB 3.46Å; V44-N237 VanDerWaalsContact CG1-CB 3.46Å; V44-N237 HydrophobicContact CG2-CB 4.45Å
45G97.3Very high96.8Very high8 Ų863.5 Ų63.58%0.08233%0.326CS..Hα-helixtrans-62.7-27.9-177.900000113.5F41 E43 L48F41-G45 WeakPolarHBondContact O-CA 3.4Å; F41-G45 PolarHBondContact O-N 2.93Å; E43-G45 PolarHBondContact O-N 3.15Å; G45-L48 CarbonylContact O-C 3.19Å
46K96.3Very high96.7Very high174 Ų17463.1 Ų63.176%0.75732%0.317SS*.Hα-helixtrans-69.2-35.2172.3-71.8171.3-174.1174.90112.4A42 E43 V44A42-K46 WeakPolarHBondContact O-CD 3.49Å; A42-K46 WeakPolarHBondContact O-CG 3.41Å; E43-K46 PolarHBondContact O-N 3.18Å; V44-K46 PolarHBondContact O-N 3.25Å
47R95.4Very high96.5Very high125 Ų12556.6 Ų56.647%0.47229%0.287SS..Hα-helixtrans-77.9-32.4179.2-60.7-169.5-60.5-131.7-0.5112.3E43 V44 P49 N237E43-R47 IonicContact OE1-CZ 3.55Å; E43-R47 IonicContact OE1-NH1 2.7Å; E43-R47 PolarHBondContact OE1-NH1 3.32Å; E43-R47 IonicContact OE1-NH2 3.82Å; V44-R47 PolarHBondContact O-N 3.35Å; R47-P49 VanDerWaalsContact C-CD 3.42Å; R47-P49 WeakPolarHBondContact O-CD 3.27Å; R47-N237 PolarHBondContact NE-OD1 3.08Å; R47-N237 PolarHBondContact NH2-ND2 3.29Å; R47-N237 PolarHBondContact NH2-OD1 3.49Å
48L94.5Very high96.5Very high39 Ų3954.7 Ų54.720%0.20427%0.273CS..SBendtrans-122.968.1-177.9-62.9-177.7000112.1Y31 V44 G45 I51 V233 N237Y31-L48 WeakPolarHBondContact CE1-O 3.47Å; Y31-L48 PolarHBondContact OH-O 2.85Å; V44-L48 PolarHBondContact O-N 3.02Å; G45-L48 CarbonylContact O-C 3.19Å; L48-I51 HydrophobicContact CB-CG1 4.06Å; L48-V233 HydrophobicContact CB-CG1 4.19Å; L48-N237 HydrophobicContact CD1-CB 3.72Å
49P93.2Very high96.5Very high97 Ų9754.2 Ų54.263%0.6327%0.271SS*.THydrogen-bonded Turntrans-69.9146.1173.731.1-34.8000110.7R47R47-P49 VanDerWaalsContact C-CD 3.42Å; R47-P49 WeakPolarHBondContact O-CD 3.27Å
50G94.3Very high96.5Very high49 Ų4948.5 Ų48.551%0.50524%0.244SC..THydrogen-bonded Turntrans85.95.6167.900000116.6Y31 R52Y31-G50 PolarHBondContact OH-N 3.09Å; G50-R52 PolarHBondContact O-N 2.93Å
51I96.5Very high96.5Very high50 Ų5047.1 Ų47.126%0.25624%0.238SC..  trans-64.7125.8174.2-57.6-62.4000109.3Y31 L48 V233Y31-I51 WeakPolarHBondContact OH-CB 3.46Å; Y31-I51 PolarHBondContact OH-N 3.28Å; L48-I51 HydrophobicContact CB-CG1 4.06Å; I51-V233 HydrophobicContact CB-CG2 4.12Å; I51-V233 HydrophobicContact CG1-CG1 4.45Å; I51-V233 HydrophobicContact CG2-CG2 4.35Å
52R96.4Very high96.5Very high77 Ų7747 Ų4729%0.29124%0.237SC..  trans-121.9150.2178.6-67-176.4177.6-95.6-2.7110.6F21 Q22 T25 L27 G50 W229F21-R52 WeakPolarHBondContact O-CD 3.13Å; Q22-R52 PolarHBondContact O-NH1 3.09Å; Q22-R52 VanDerWaalsContact O-NH1 3.13Å; T25-R52 PolarHBondContact O-NH1 3.27Å; L27-R52 HydrophobicContact CD1-CG 4.35Å; L27-R52 HydrophobicContact CD2-CG 3.67Å; G50-R52 PolarHBondContact O-N 2.93Å; R52-W229 HydrophobicContact CB-CH2 4.5Å; R52-W229 HydrophobicContact CB-CZ3 3.86Å; R52-W229 HydrophobicContact CG-CZ3 4.05Å
53V97.8Very high96.5Very high4 Ų446 Ų462%0.02423%0.228CC..  trans-84.1127.3166.2176.70000108.2Q22 L174 M175 W229Q22-V53 PolarHBondContact NE2-O 3.09Å; V53-L174 HydrophobicContact CG1-CD1 4.14Å; V53-L174 HydrophobicContact CG1-CG 4Å; V53-L174 VanDerWaalsContact CG1-O 3.27Å; V53-L174 WeakPolarHBondContact CG1-O 3.45Å; V53-L174 HydrophobicContact CG2-CD1 4.22Å; V53-L174 HydrophobicContact CG2-CG 4.36Å; V53-M175 HydrophobicContact CG1-CB 4.49Å; V53-M175 HydrophobicContact CG1-CG 3.9Å; V53-W229 HydrophobicContact CB-CD2 3.74Å; V53-W229 HydrophobicContact CB-CE3 4.22Å; V53-W229 HydrophobicContact CB-CG 4.12Å; V53-W229 HydrophobicContact CB-CH2 4.37Å; V53-W229 HydrophobicContact CB-CZ2 3.91Å; V53-W229 HydrophobicContact CG2-CB 4.07Å; V53-W229 HydrophobicContact CG2-CD2 3.61Å; V53-W229 HydrophobicContact CG2-CE3 4.21Å; V53-W229 HydrophobicContact CG2-CG 3.51Å
54L96.9Very high96.6Very high50 Ų5041.7 Ų41.726%0.26221%0.21SC..  trans-75.4151.6176.7-56177.4000110.6Y20 F21 Q56 M175Y20-L54 HydrophobicContact CD1-CD2 4.27Å; Y20-L54 HydrophobicContact CE1-CB 4.45Å; Y20-L54 HydrophobicContact CE1-CD1 3.9Å; Y20-L54 HydrophobicContact CE1-CD2 3.93Å; Y20-L54 HydrophobicContact CE1-CG 4.31Å; Y20-L54 WeakPolarHBondContact O-CA 3.36Å; Y20-L54 WeakPolarHBondContact OH-CD1 3.3Å; F21-L54 HydrophobicContact CD1-CD2 3.54Å; F21-L54 HydrophobicContact CE1-CD2 3.88Å; L54-Q56 HydrophobicContact CB-CG 3.99Å; L54-M175 CarbonylContact O-C 3.16Å
55R96.4Very high96.7Very high65 Ų6543.2 Ų43.225%0.24522%0.217CC..  trans-99.777.3168.9-176.3-178.7-76.8164.86.4108.7D19 Y20 Q22 R147 D178D19-R55 IonicContact OD1-CZ 2.65Å; D19-R55 IonicContact OD1-NH1 3.81Å; D19-R55 PolarHBondContact OD1-NH1 2.98Å; D19-R55 WeakPolarHBondContact OD2-CD 3.47Å; D19-R55 IonicContact OD2-NH1 3.74Å; Y20-R55 WeakPolarHBondContact CD2-O 3.5Å; Y20-R55 PolarHBondContact O-N 3.15Å; Q22-R55 HydrophobicContact CG-CB 3.74Å; R55-R147 VanDerWaalsContact CD-NH1 3.3Å; R55-D178 IonicContact CZ-OD1 3.61Å; R55-D178 IonicContact NE-OD1 3.18Å; R55-D178 PolarHBondContact NE-OD1 2.67Å; R55-D178 IonicContact NE-OD2 3.38Å; R55-D178 IonicContact NH2-OD1 2.87Å; R55-D178 PolarHBondContact NH2-OD1 3.4Å
56Q96.1Very high96.7Very high30 Ų3042.9 Ų42.914%0.1421%0.213CC..  trans-70.8159.4-177.7-62.1179.266.400111.7Y20 L54 C61 R147 M175 S176Y20-Q56 HydrophobicContact CE2-CG 4.05Å; L54-Q56 HydrophobicContact CB-CG 3.99Å; Q56-C61 HydrophobicContact CB-CB 3.99Å; Q56-R147 PolarHBondContact O-NH2 3.08Å; Q56-M175 WeakPolarHBondContact CB-O 3.49Å; Q56-M175 PolarHBondContact N-O 2.78Å; Q56-S176 WeakPolarHBondContact O-CB 3.36Å
57E94.9Very high96.8Very high29 Ų2934.6 Ų34.614%0.13618%0.177CC..  trans-64.1128.3171-163.1-76.8136.800108.8R8 F59 E60 C61 R144R8-E57 IonicContact NH1-OE2 3.84Å; R8-E57 PolarHBondContact NH1-OE2 3.12Å; E57-F59 VanDerWaalsContact C-N 3.34Å; E57-F59 PolarHBondContact O-N 3.07Å; E57-F59 PolarHBondContact OE1-N 2.99Å; E57-F59 WeakPolarHBondContact OE2-CB 3.32Å; E57-F59 PolarHBondContact OE2-N 3.49Å; E57-F59 VanDerWaalsContact OE2-N 3.1Å; E57-E60 HydrophobicContact CB-CB 4.29Å; E57-E60 PolarHBondContact O-N 3.34Å; E57-E60 PolarHBondContact OE2-N 3.4Å; E57-C61 VanDerWaalsContact O-CB 3.3Å; E57-C61 WeakPolarHBondContact O-CB 3.34Å; E57-C61 PolarHBondContact O-N 2.98Å; E57-R144 IonicContact OE1-NE 2.77Å; E57-R144 IonicContact OE1-NH2 2.69Å; E57-R144 PolarHBondContact OE1-NH2 3.15Å
58P97.2Very high96.9Very high4 Ų429.3 Ų29.33%0.02616%0.159CC..Hα-helixtrans-58-37.9-169.4-32.239.2000115.6L62 L143 R144 L177P58-L62 VanDerWaalsContact O-CB 3.25Å; P58-L62 WeakPolarHBondContact O-CB 3.4Å; P58-L62 PolarHBondContact O-N 2.94Å; P58-L143 HydrophobicContact CB-CD2 4Å; P58-L143 HydrophobicContact CB-CG 3.76Å; P58-R144 HydrophobicContact CG-CG 4.1Å; P58-L177 HydrophobicContact CB-CD2 4.05Å; P58-L177 HydrophobicContact CG-CD2 4.03Å
59F97.2Very high96.8Very high2 Ų228.7 Ų28.71%0.00916%0.158CC..Hα-helixtrans-72.5-45.6-179.8177.3-104.7000112E57 C61 L62 I63 I104 L107 A132 V135 I140 L143E57-F59 VanDerWaalsContact C-N 3.34Å; E57-F59 PolarHBondContact O-N 3.07Å; E57-F59 PolarHBondContact OE1-N 2.99Å; E57-F59 WeakPolarHBondContact OE2-CB 3.32Å; E57-F59 PolarHBondContact OE2-N 3.49Å; E57-F59 VanDerWaalsContact OE2-N 3.1Å; F59-C61 VanDerWaalsContact C-N 3.31Å; F59-C61 PolarHBondContact O-N 3.36Å; F59-L62 PolarHBondContact O-N 3.18Å; F59-I63 HydrophobicContact CD2-CG1 4.23Å; F59-I63 HydrophobicContact CE1-CG1 4.19Å; F59-I63 HydrophobicContact CE2-CD1 3.97Å; F59-I63 HydrophobicContact CE2-CG1 3.84Å; F59-I63 HydrophobicContact CZ-CD1 4.22Å; F59-I63 HydrophobicContact CZ-CG1 3.82Å; F59-I63 WeakPolarHBondContact O-CG1 3.44Å; F59-I63 PolarHBondContact O-N 2.9Å; F59-I104 HydrophobicContact CD2-CD1 4.35Å; F59-I104 HydrophobicContact CE1-CB 4.03Å; F59-I104 HydrophobicContact CE2-CB 4.2Å; F59-I104 HydrophobicContact CE2-CD1 3.99Å; F59-I104 HydrophobicContact CE2-CG1 3.86Å; F59-I104 HydrophobicContact CZ-CB 3.81Å; F59-I104 HydrophobicContact CZ-CD1 4.43Å; F59-I104 HydrophobicContact CZ-CG1 3.83Å; F59-L107 HydrophobicContact CE1-CD1 3.83Å; F59-L107 HydrophobicContact CZ-CD1 3.68Å; F59-A132 HydrophobicContact CE2-CB 4.06Å; F59-A132 HydrophobicContact CZ-CB 4.04Å; F59-V135 HydrophobicContact CD2-CG1 4.16Å; F59-I140 HydrophobicContact CB-CD1 3.68Å; F59-I140 HydrophobicContact CD2-CD1 4.25Å; F59-I140 HydrophobicContact CG-CD1 4.02Å; F59-L143 HydrophobicContact CB-CD2 4.02Å; F59-L143 HydrophobicContact CD2-CD2 4.48Å
60E97.3Very high96.8Very high57 Ų5731.3 Ų31.327%0.26617%0.167SC..Hα-helixtrans-55.6-46.2171.8171.9174174.900112.2E57 S64 F101E57-E60 HydrophobicContact CB-CB 4.29Å; E57-E60 PolarHBondContact O-N 3.34Å; E57-E60 PolarHBondContact OE2-N 3.4Å; E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.31Å; E60-S64 PolarHBondContact O-N 3.13Å; E60-S64 PolarHBondContact O-OG 2.88Å; E60-F101 HydrophobicContact CB-CD1 3.95Å; E60-F101 HydrophobicContact CB-CD2 4.33Å; E60-F101 HydrophobicContact CB-CE1 4.19Å; E60-F101 HydrophobicContact CB-CG 4.03Å; E60-F101 HydrophobicContact CB-CZ 4.45Å; E60-F101 HydrophobicContact CG-CB 4.27Å; E60-F101 HydrophobicContact CG-CD1 4.12Å; E60-F101 HydrophobicContact CG-CD2 3.59Å; E60-F101 HydrophobicContact CG-CE1 4.38Å; E60-F101 HydrophobicContact CG-CE2 3.85Å; E60-F101 HydrophobicContact CG-CG 3.71Å; E60-F101 HydrophobicContact CG-CZ 4.24Å
61C98.2Very high96.8Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-60.8-47.8178.2-173.50000111.6Q56 E57 F59 S64 F65 S176Q56-C61 HydrophobicContact CB-CB 3.99Å; E57-C61 VanDerWaalsContact O-CB 3.3Å; E57-C61 WeakPolarHBondContact O-CB 3.34Å; E57-C61 PolarHBondContact O-N 2.98Å; F59-C61 VanDerWaalsContact C-N 3.31Å; F59-C61 PolarHBondContact O-N 3.36Å; C61-S64 PolarHBondContact O-N 3.3Å; C61-F65 WeakPolarHBondContact O-CD2 3.48Å; C61-F65 PolarHBondContact O-N 3.3Å; C61-F65 VanDerWaalsContact SG-CD2 3.59Å; C61-F65 VanDerWaalsContact SG-CE2 3.56Å; C61-S176 VanDerWaalsContact SG-CB 3.58Å; C61-S176 PolarHBondContact SG-OG 2.99Å
62L98.7Very high96.6Very high0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-56.7-55177.7170.365.7000111.9P58 F59 S64 F65 I66 V135 L143 L158 L161 V164 V172P58-L62 VanDerWaalsContact O-CB 3.25Å; P58-L62 WeakPolarHBondContact O-CB 3.4Å; P58-L62 PolarHBondContact O-N 2.94Å; F59-L62 PolarHBondContact O-N 3.18Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.38Å; L62-F65 PolarHBondContact O-N 3.07Å; L62-I66 HydrophobicContact CD1-CD1 4.1Å; L62-I66 HydrophobicContact CD1-CG1 4.42Å; L62-I66 HydrophobicContact CG-CD1 4.21Å; L62-I66 WeakPolarHBondContact O-CG1 3.26Å; L62-I66 PolarHBondContact O-N 3.43Å; L62-V135 HydrophobicContact CD2-CG2 3.82Å; L62-L143 HydrophobicContact CB-CD2 4.35Å; L62-L143 HydrophobicContact CD2-CD1 4.41Å; L62-L143 HydrophobicContact CD2-CD2 3.83Å; L62-L158 HydrophobicContact CD1-CD2 4.36Å; L62-L161 HydrophobicContact CD1-CD1 3.89Å; L62-L161 HydrophobicContact CD2-CD1 3.63Å; L62-L161 HydrophobicContact CG-CD1 4.41Å; L62-V164 HydrophobicContact CD1-CG2 3.76Å; L62-V172 HydrophobicContact CB-CG2 4.37Å; L62-V172 HydrophobicContact CD1-CG2 4.35Å
63I98.5Very high96.4Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-63.4-40.4-177.5-62.4-50.9000110.6F59 F65 I66 C67 M83 F101 L107 V128F59-I63 HydrophobicContact CD2-CG1 4.23Å; F59-I63 HydrophobicContact CE1-CG1 4.19Å; F59-I63 HydrophobicContact CE2-CD1 3.97Å; F59-I63 HydrophobicContact CE2-CG1 3.84Å; F59-I63 HydrophobicContact CZ-CD1 4.22Å; F59-I63 HydrophobicContact CZ-CG1 3.82Å; F59-I63 WeakPolarHBondContact O-CG1 3.44Å; F59-I63 PolarHBondContact O-N 2.9Å; I63-F65 PolarHBondContact O-N 3.01Å; I63-I66 HydrophobicContact CD1-CD1 4.29Å; I63-I66 PolarHBondContact O-N 2.9Å; I63-C67 PolarHBondContact O-N 3.26Å; I63-C67 PolarHBondContact O-SG 3.29Å; I63-M83 HydrophobicContact CG2-CE 3.9Å; I63-M83 HydrophobicContact CG2-SD 4.08Å; I63-F101 HydrophobicContact CB-CE1 3.99Å; I63-F101 HydrophobicContact CB-CZ 3.72Å; I63-F101 HydrophobicContact CG1-CE1 4.4Å; I63-F101 HydrophobicContact CG2-CE1 4.12Å; I63-F101 HydrophobicContact CG2-CZ 3.69Å; I63-L107 HydrophobicContact CG1-CD1 4.15Å; I63-L107 HydrophobicContact CG2-CD1 4.26Å; I63-V128 HydrophobicContact CD1-CG1 4.28Å; I63-V128 HydrophobicContact CG2-CG1 3.87Å; I63-V128 HydrophobicContact CG2-CG2 4.15Å
64S98.4Very high96.3Very high15 Ų1537.5 Ų37.511%0.10520%0.199CC..Hα-helixtrans-61-42.7176.2-63.10000112.4E60 C61 L62 C67 S68E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.31Å; E60-S64 PolarHBondContact O-N 3.13Å; E60-S64 PolarHBondContact O-OG 2.88Å; C61-S64 PolarHBondContact O-N 3.3Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.38Å; S64-C67 VanDerWaalsContact O-CB 3.29Å; S64-C67 WeakPolarHBondContact O-CB 3.35Å; S64-C67 PolarHBondContact O-N 2.94Å; S64-S68 PolarHBondContact O-N 2.94Å
65F98.6Very high96.3Very high33 Ų3340.6 Ų40.615%0.14521%0.207CC..Hα-helixtrans-76.9-25.9179.2-77.4-64.5000114.2C61 L62 I63 C67 S68 V168 C171 V172 M175C61-F65 WeakPolarHBondContact O-CD2 3.48Å; C61-F65 PolarHBondContact O-N 3.3Å; C61-F65 VanDerWaalsContact SG-CD2 3.59Å; C61-F65 VanDerWaalsContact SG-CE2 3.56Å; L62-F65 PolarHBondContact O-N 3.07Å; I63-F65 PolarHBondContact O-N 3.01Å; F65-C67 PolarHBondContact O-N 3.48Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 2.96Å; F65-S68 PolarHBondContact O-OG 3.44Å; F65-V168 HydrophobicContact CB-CG1 3.82Å; F65-C171 HydrophobicContact CB-CB 4.21Å; F65-C171 HydrophobicContact CD1-CB 3.44Å; F65-C171 VanDerWaalsContact CD1-CB 3.44Å; F65-C171 HydrophobicContact CD2-CB 3.6Å; F65-C171 HydrophobicContact CE1-CB 3.66Å; F65-C171 HydrophobicContact CE2-CB 3.82Å; F65-C171 HydrophobicContact CG-CB 3.45Å; F65-C171 VanDerWaalsContact CG-CB 3.45Å; F65-C171 HydrophobicContact CZ-CB 3.88Å; F65-V172 HydrophobicContact CB-CG2 4.26Å; F65-V172 HydrophobicContact CD2-CG2 4.17Å; F65-M175 HydrophobicContact CD2-CE 4.5Å; F65-M175 HydrophobicContact CE1-CE 3.73Å; F65-M175 HydrophobicContact CE1-SD 4.49Å; F65-M175 HydrophobicContact CE2-CB 4.3Å; F65-M175 HydrophobicContact CE2-CE 3.48Å; F65-M175 VanDerWaalsContact CE2-CE 3.48Å; F65-M175 HydrophobicContact CE2-SD 3.95Å; F65-M175 HydrophobicContact CZ-CE 3.04Å; F65-M175 HydrophobicContact CZ-SD 3.47Å; F65-M175 WeakPolarHBondContact CZ-SD 3.47Å
66I98.6Very high96.4Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-57.7-40.8167.3-70.9169.1000110L62 I63 S68 S69 F127 V128 V164 V168L62-I66 HydrophobicContact CD1-CD1 4.1Å; L62-I66 HydrophobicContact CD1-CG1 4.42Å; L62-I66 HydrophobicContact CG-CD1 4.21Å; L62-I66 WeakPolarHBondContact O-CG1 3.26Å; L62-I66 PolarHBondContact O-N 3.43Å; I63-I66 HydrophobicContact CD1-CD1 4.29Å; I63-I66 PolarHBondContact O-N 2.9Å; I66-S68 PolarHBondContact O-N 2.93Å; I66-S69 PolarHBondContact O-N 3.35Å; I66-S69 PolarHBondContact O-OG 3.4Å; I66-F127 HydrophobicContact CG2-CB 3.66Å; I66-V128 HydrophobicContact CB-CG2 4.4Å; I66-V128 HydrophobicContact CG2-CG2 3.81Å; I66-V164 HydrophobicContact CD1-CG2 4.06Å; I66-V164 HydrophobicContact CG1-CG2 3.89Å; I66-V168 HydrophobicContact CG1-CG1 4.38Å
67C98Very high96.4Very high0 Ų040.5 Ų40.50%022%0.217CC..Hα-helixtrans-63.6-22.8176.1-59.50000113.4I63 S64 F65 N71 M79 F121 R124I63-C67 PolarHBondContact O-N 3.26Å; I63-C67 PolarHBondContact O-SG 3.29Å; S64-C67 VanDerWaalsContact O-CB 3.29Å; S64-C67 WeakPolarHBondContact O-CB 3.35Å; S64-C67 PolarHBondContact O-N 2.94Å; F65-C67 PolarHBondContact O-N 3.48Å; C67-N71 PolarHBondContact O-ND2 2.91Å; C67-M79 HydrophobicContact CB-CE 4.12Å; C67-F121 WeakPolarHBondContact SG-CE1 3.38Å; C67-R124 WeakPolarHBondContact O-CD 3.32Å; C67-R124 PolarHBondContact O-NE 2.77Å
68S96.6Very high96.5Very high15 Ų1543.7 Ų43.711%0.10523%0.232CC..Hα-helixtrans-79.6-18.1-178.382.50000115.2S64 F65 I66 N70 N71S64-S68 PolarHBondContact O-N 2.94Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 2.96Å; F65-S68 PolarHBondContact O-OG 3.44Å; I66-S68 PolarHBondContact O-N 2.93Å; S68-N70 PolarHBondContact O-N 3.15Å; S68-N71 PolarHBondContact O-N 3.37Å
69S94.1Very high96.6Very high26 Ų2643.7 Ų43.718%0.18223%0.232CC..THydrogen-bonded Turntrans-55.7123.3-177.556.40000111.1I66 N71 Y123 R124I66-S69 PolarHBondContact O-N 3.35Å; I66-S69 PolarHBondContact O-OG 3.4Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.1Å; S69-Y123 PolarHBondContact O-OH 3.49Å; S69-R124 PolarHBondContact O-NE 2.86Å; S69-R124 PolarHBondContact O-NH2 3.02Å; S69-R124 PolarHBondContact OG-NE 3.11Å
70N92.5Very high96.6Very high151 Ų15145.3 Ų45.381%0.80724%0.24SC*.THydrogen-bonded Turntrans45.651.1-179.1-170.630.2000113.8S68 R124S68-N70 PolarHBondContact O-N 3.15Å; N70-R124 PolarHBondContact O-NH2 3.05Å
71N94.3Very high96.6Very high39 Ų3944.8 Ų44.821%0.20925%0.246CC..  trans-143169.7-173.2-155.2-5.5000110.5C67 S68 S69 R75 I76 M79C67-N71 PolarHBondContact O-ND2 2.91Å; S68-N71 PolarHBondContact O-N 3.37Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.1Å; N71-R75 WeakPolarHBondContact OD1-CB 3.36Å; N71-R75 VanDerWaalsContact OD1-CD 3.23Å; N71-R75 WeakPolarHBondContact OD1-CD 3.44Å; N71-R75 WeakPolarHBondContact OD1-CG 3.28Å; N71-I76 HydrophobicContact CB-CD1 4.11Å; N71-I76 HydrophobicContact CB-CG1 3.81Å; N71-M79 PolarHBondContact ND2-SD 3.48Å; N71-M79 VanDerWaalsContact ND2-SD 3.37Å
72N93.2Very high96.6Very high89 Ų8949.1 Ų49.148%0.47626%0.262SS..  trans-114.4154.1176.965.363.5000112P74 R75 I76N72-P74 WeakPolarHBondContact OD1-CD 3.42Å; N72-R75 PolarHBondContact O-N 3.37Å; N72-R75 VanDerWaalsContact O-N 3.12Å; N72-R75 WeakPolarHBondContact OD1-CB 3.38Å; N72-R75 PolarHBondContact OD1-N 3.45Å; N72-I76 WeakPolarHBondContact O-CD1 3.49Å; N72-I76 VanDerWaalsContact O-CG1 3.23Å; N72-I76 WeakPolarHBondContact O-CG1 3.26Å; N72-I76 PolarHBondContact O-N 2.97Å
73I92.2Very high96.5Very high85 Ų8549.1 Ų49.144%0.43626%0.262SS..Hα-helixtrans-54.3-47.1-171.9-62.9170.5000113R75 I76 S77 V239I73-R75 PolarHBondContact O-N 3.31Å; I73-I76 PolarHBondContact O-N 3.46Å; I73-S77 PolarHBondContact O-N 2.85Å; I73-S77 PolarHBondContact O-OG 3.02Å; I73-V239 HydrophobicContact CD1-CB 4.14Å; I73-V239 HydrophobicContact CD1-CG1 4.09Å
74P95.5Very high96.5Very high97 Ų9749.9 Ų49.963%0.6327%0.267SS*.Hα-helixtrans-58.8-45.5176.6-26.435.1000113.4N72 S77 Q78N72-P74 WeakPolarHBondContact OD1-CD 3.42Å; P74-S77 PolarHBondContact O-N 3.36Å; P74-Q78 PolarHBondContact O-N 2.88Å
75R97Very high96.4Very high115 Ų11554.1 Ų54.143%0.43429%0.285SS..Hα-helixtrans-68.1-38.8179.7-179.6170.5176.5172.55.8112.2N71 N72 I73 S77 Q78 M79 G120N71-R75 WeakPolarHBondContact OD1-CB 3.36Å; N71-R75 VanDerWaalsContact OD1-CD 3.23Å; N71-R75 WeakPolarHBondContact OD1-CD 3.44Å; N71-R75 WeakPolarHBondContact OD1-CG 3.28Å; N72-R75 PolarHBondContact O-N 3.37Å; N72-R75 VanDerWaalsContact O-N 3.12Å; N72-R75 WeakPolarHBondContact OD1-CB 3.38Å; N72-R75 PolarHBondContact OD1-N 3.45Å; I73-R75 PolarHBondContact O-N 3.31Å; R75-S77 VanDerWaalsContact C-N 3.34Å; R75-Q78 PolarHBondContact O-N 3.03Å; R75-M79 HydrophobicContact CG-CG 4.4Å; R75-M79 HydrophobicContact CG-SD 4.08Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 VanDerWaalsContact O-CG 3.26Å; R75-M79 WeakPolarHBondContact O-CG 3.49Å; R75-M79 PolarHBondContact O-N 2.86Å; R75-G120 PolarHBondContact NH2-O 2.92Å
76I96.8Very high96.2Very high27 Ų2757.9 Ų57.914%0.13830%0.303CS..Hα-helixtrans-58.8-49.1175-64.7160.8000109.9N71 N72 I73 Q78 M79 I80N71-I76 HydrophobicContact CB-CD1 4.11Å; N71-I76 HydrophobicContact CB-CG1 3.81Å; N72-I76 WeakPolarHBondContact O-CD1 3.49Å; N72-I76 VanDerWaalsContact O-CG1 3.23Å; N72-I76 WeakPolarHBondContact O-CG1 3.26Å; N72-I76 PolarHBondContact O-N 2.97Å; I73-I76 PolarHBondContact O-N 3.46Å; I76-Q78 VanDerWaalsContact C-N 3.33Å; I76-Q78 PolarHBondContact O-N 3.12Å; I76-M79 PolarHBondContact O-N 2.84Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.44Å
77S96.4Very high96.1Very high66 Ų6659 Ų5946%0.46231%0.309SS..Hα-helixtrans-60.1-44.1-179.5-53.10000111.4I73 P74 R75 I80 A81I73-S77 PolarHBondContact O-N 2.85Å; I73-S77 PolarHBondContact O-OG 3.02Å; P74-S77 PolarHBondContact O-N 3.36Å; R75-S77 VanDerWaalsContact C-N 3.34Å; S77-I80 PolarHBondContact O-N 3.42Å; S77-A81 WeakPolarHBondContact O-CB 3.42Å; S77-A81 PolarHBondContact O-N 3.01Å
78Q97.8Very high95.9Very high97 Ų9759.8 Ų59.845%0.45332%0.317SS..Hα-helixtrans-63.5-42176.1-178.1178.966.100112.7P74 R75 I76 A81 R82P74-Q78 PolarHBondContact O-N 2.88Å; R75-Q78 PolarHBondContact O-N 3.03Å; I76-Q78 VanDerWaalsContact C-N 3.33Å; I76-Q78 PolarHBondContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 3.28Å; Q78-R82 VanDerWaalsContact NE2-NH2 3.14Å; Q78-R82 WeakPolarHBondContact O-CG 3.2Å; Q78-R82 PolarHBondContact O-N 3.42Å
79M98Very high95.8Very high3 Ų364.4 Ų64.42%0.01534%0.337CS..Hα-helixtrans-61.8-46.3177.7-75.417455.700111.5C67 N71 R75 I76 M83 F121C67-M79 HydrophobicContact CB-CE 4.12Å; N71-M79 PolarHBondContact ND2-SD 3.48Å; N71-M79 VanDerWaalsContact ND2-SD 3.37Å; R75-M79 HydrophobicContact CG-CG 4.4Å; R75-M79 HydrophobicContact CG-SD 4.08Å; R75-M79 WeakPolarHBondContact O-CB 3.3Å; R75-M79 VanDerWaalsContact O-CG 3.26Å; R75-M79 WeakPolarHBondContact O-CG 3.49Å; R75-M79 PolarHBondContact O-N 2.86Å; I76-M79 PolarHBondContact O-N 2.84Å; M79-M83 WeakPolarHBondContact O-CB 3.48Å; M79-M83 PolarHBondContact O-N 3.42Å; M79-F121 HydrophobicContact CB-CD2 4.43Å; M79-F121 HydrophobicContact CB-CE2 3.83Å; M79-F121 HydrophobicContact CB-CZ 3.91Å; M79-F121 HydrophobicContact CE-CB 3.95Å; M79-F121 HydrophobicContact CE-CD1 3.53Å; M79-F121 HydrophobicContact CE-CD2 3.84Å; M79-F121 HydrophobicContact CE-CE1 3.86Å; M79-F121 HydrophobicContact CE-CE2 4.12Å; M79-F121 HydrophobicContact CE-CG 3.5Å; M79-F121 HydrophobicContact CE-CZ 4.11Å; M79-F121 HydrophobicContact CG-CD2 4.43Å; M79-F121 HydrophobicContact CG-CE2 4.28Å; M79-F121 WeakPolarHBondContact O-CE2 3.29Å; M79-F121 WeakPolarHBondContact O-CZ 3.32Å
80I97.8Very high95.8Very high36 Ų3667 Ų6719%0.18535%0.352CS..Hα-helixtrans-63.6-47.1178.4-65.8168.5000110.3I76 S77 R82 M83 C84 F101I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.44Å; S77-I80 PolarHBondContact O-N 3.42Å; I80-R82 PolarHBondContact O-N 3.44Å; I80-M83 PolarHBondContact O-N 3.16Å; I80-M83 VanDerWaalsContact O-N 3.15Å; I80-C84 PolarHBondContact O-N 2.62Å; I80-C84 PolarHBondContact O-SG 3.03Å; I80-C84 VanDerWaalsContact O-SG 3.32Å; I80-F101 HydrophobicContact CG2-CE2 4.19Å
81A97.4Very high95.8Very high46 Ų4661.5 Ų61.538%0.3832%0.323SS..Hα-helixtrans-56.3-49.3178.200000112.3S77 Q78 M83 C84 E85S77-A81 WeakPolarHBondContact O-CB 3.42Å; S77-A81 PolarHBondContact O-N 3.01Å; Q78-A81 PolarHBondContact O-N 3.28Å; A81-M83 VanDerWaalsContact C-N 3.31Å; A81-M83 PolarHBondContact O-N 2.9Å; A81-C84 PolarHBondContact O-N 3.1Å; A81-E85 WeakPolarHBondContact O-CG 3.42Å; A81-E85 PolarHBondContact O-N 3.24Å
82R97.9Very high95.7Very high91 Ų9165.3 Ų65.334%0.34334%0.34SS..Hα-helixtrans-61-39.8177-73.4178.7-175169.81.6112.5Q78 I80 E85 H86 L119Q78-R82 VanDerWaalsContact NE2-NH2 3.14Å; Q78-R82 WeakPolarHBondContact O-CG 3.2Å; Q78-R82 PolarHBondContact O-N 3.42Å; I80-R82 PolarHBondContact O-N 3.44Å; R82-E85 PolarHBondContact O-N 3.45Å; R82-H86 PolarHBondContact O-N 3.44Å; R82-H86 VanDerWaalsContact O-N 3.11Å; R82-H86 PolarHBondContact O-ND1 3.08Å; R82-L119 HydrophobicContact CB-CD2 4.36Å; R82-L119 PolarHBondContact NH1-O 3.44Å
83M97.8Very high95.5Very high0 Ų062.4 Ų62.40%033%0.328CS..Hα-helixtrans-65.5-43.2178173179.973.200111.4I63 M79 I80 A81 H86 L87 F101 P102 L107 L116 F121I63-M83 HydrophobicContact CG2-CE 3.9Å; I63-M83 HydrophobicContact CG2-SD 4.08Å; M79-M83 WeakPolarHBondContact O-CB 3.48Å; M79-M83 PolarHBondContact O-N 3.42Å; I80-M83 PolarHBondContact O-N 3.16Å; I80-M83 VanDerWaalsContact O-N 3.15Å; A81-M83 VanDerWaalsContact C-N 3.31Å; A81-M83 PolarHBondContact O-N 2.9Å; M83-H86 PolarHBondContact O-N 3.37Å; M83-L87 HydrophobicContact CG-CD1 4.41Å; M83-L87 WeakPolarHBondContact O-CB 3.35Å; M83-L87 PolarHBondContact O-N 3.31Å; M83-F101 HydrophobicContact CE-CD2 4.39Å; M83-F101 HydrophobicContact CE-CE1 4.22Å; M83-F101 HydrophobicContact CE-CE2 3.48Å; M83-F101 VanDerWaalsContact CE-CE2 3.48Å; M83-F101 HydrophobicContact CE-CZ 3.37Å; M83-P102 HydrophobicContact CG-CG 3.74Å; M83-P102 HydrophobicContact SD-CG 4.47Å; M83-L107 HydrophobicContact SD-CD2 4.16Å; M83-L116 HydrophobicContact CB-CD2 4.43Å; M83-L116 HydrophobicContact CG-CD2 3.98Å; M83-L116 HydrophobicContact SD-CD2 3.95Å; M83-F121 HydrophobicContact CB-CE2 4.14Å; M83-F121 HydrophobicContact CB-CZ 3.66Å; M83-F121 HydrophobicContact CG-CZ 4.23Å; M83-F121 HydrophobicContact SD-CE1 3.94Å; M83-F121 HydrophobicContact SD-CZ 3.84Å
84C97Very high95.5Very high16 Ų1667.2 Ų67.211%0.10835%0.349CS..Hα-helixtrans-60.9-46.9173-620000111.1I80 A81 H86 G88 Y99I80-C84 PolarHBondContact O-N 2.62Å; I80-C84 PolarHBondContact O-SG 3.03Å; I80-C84 VanDerWaalsContact O-SG 3.32Å; A81-C84 PolarHBondContact O-N 3.1Å; C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3.02Å; C84-G88 WeakPolarHBondContact O-CA 3.1Å; C84-G88 PolarHBondContact O-N 3.13Å; C84-Y99 WeakPolarHBondContact O-CB 3.48Å
85E96.2Very high95.4Very high104 Ų10466.8 Ų66.849%0.48636%0.362SS..Hα-helixtrans-57.8-34.8179-74.2170.2-172.400114.1A81 R82 Y99A81-E85 WeakPolarHBondContact O-CG 3.42Å; A81-E85 PolarHBondContact O-N 3.24Å; R82-E85 PolarHBondContact O-N 3.45Å; E85-Y99 HydrophobicContact CB-CD2 4.35Å; E85-Y99 HydrophobicContact CB-CG 4.43Å; E85-Y99 HydrophobicContact CG-CD2 3.7Å; E85-Y99 HydrophobicContact CG-CE2 3.93Å; E85-Y99 HydrophobicContact CG-CG 4.21Å
86H96.2Very high95.2Very high113 Ų11366.7 Ų66.752%0.52337%0.366SS..Hα-helixtrans-97.9-30.6-174.1-70.472.6000114.5R82 M83 C84 L119R82-H86 PolarHBondContact O-N 3.44Å; R82-H86 VanDerWaalsContact O-N 3.11Å; R82-H86 PolarHBondContact O-ND1 3.08Å; M83-H86 PolarHBondContact O-N 3.37Å; C84-H86 VanDerWaalsContact C-N 3.27Å; C84-H86 PolarHBondContact O-N 3.02Å; H86-L119 HydrophobicContact CB-CD1 3.95Å
87L95.7Very high95.1Very high24 Ų2468.9 Ų68.913%0.12638%0.381CS..Hα-helixtrans-121.6-5-172-63.2176.5000112.9M83 P102 S106 L107 V115 L116M83-L87 HydrophobicContact CG-CD1 4.41Å; M83-L87 WeakPolarHBondContact O-CB 3.35Å; M83-L87 PolarHBondContact O-N 3.31Å; L87-P102 HydrophobicContact CB-CB 3.98Å; L87-P102 HydrophobicContact CB-CG 3.68Å; L87-S106 PolarHBondContact O-OG 3.31Å; L87-L107 HydrophobicContact CD1-CD2 3.87Å; L87-V115 HydrophobicContact CD1-CG1 4.29Å; L87-V115 HydrophobicContact CD2-CG1 4.02Å; L87-V115 HydrophobicContact CG-CG1 4.23Å; L87-L116 HydrophobicContact CD1-CD2 3.95Å; L87-L116 HydrophobicContact CD1-CG 4.28Å
88G94.5Very high95Very high16 Ų1671.3 Ų71.317%0.16538%0.381CS..SBendtrans-88159.7178.500000113.4C84 D100C84-G88 WeakPolarHBondContact O-CA 3.1Å; C84-G88 PolarHBondContact O-N 3.13Å; G88-D100 WeakPolarHBondContact CA-O 3.23Å
89E93.1Very high94.9Very high111 Ų11171.5 Ų71.552%0.51938%0.378SS..PPolyproline II helixtrans-76141.4171.6-64.3-174.715300110.5Y99 D100E89-Y99 WeakPolarHBondContact O-CA 3.29Å; E89-D100 HydrophobicContact CB-CB 4.5Å; E89-D100 PolarHBondContact O-N 3.28Å
90V94.5Very high94.7Very high81 Ų8173.3 Ų73.349%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-75.8128.7178-174.20000110.1T97 Y99V90-T97 HydrophobicContact CG1-CG2 3.6Å; V90-Y99 HydrophobicContact CG2-CD1 4.16Å; V90-Y99 HydrophobicContact CG2-CE1 4.01Å
91V91.4Very high94.6Very high35 Ų3572 Ų7221%0.21238%0.38CS..EExtended strand (participates in β ladder)trans-119.7119.1178.8-179.10000109.6Y98 D100V91-Y98 PolarHBondContact N-O 3.19Å; V91-Y98 PolarHBondContact O-N 2.89Å; V91-D100 HydrophobicContact CG2-CB 4.11Å
92H93.2Very high94.5Very high120 Ų12069.8 Ų69.856%0.55636%0.362SS*.EExtended strand (participates in β ladder)trans-96.9121.8173.1-59.6-65000110.5H96 T97H92-H96 WeakPolarHBondContact CA-O 3.35Å; H92-T97 PolarHBondContact CE1-OG1 2.99Å; H92-T97 PolarHBondContact ND1-OG1 2.8Å
93A88.6Confident94.3Very high28 Ų2867.4 Ų67.423%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-145.3133.5177.600000110.4G95 H96 Y98A93-G95 PolarHBondContact O-N 3.34Å; A93-G95 VanDerWaalsContact O-N 3.11Å; A93-H96 PolarHBondContact N-O 2.84Å; A93-H96 WeakPolarHBondContact O-CA 3.41Å; A93-H96 WeakPolarHBondContact O-CB 3.27Å; A93-H96 PolarHBondContact O-N 2.99Å; A93-Y98 HydrophobicContact CB-CD2 4.19Å; A93-Y98 HydrophobicContact CB-CE2 4.01Å
94E91.9Very high94.2Very high186 Ų18668.3 Ų68.387%0.86936%0.363SS*.THydrogen-bonded Turntrans52.635.7173.9-58.8-176.6-175.200114.5H96E94-H96 PolarHBondContact O-CD2 3.11Å; E94-H96 VanDerWaalsContact O-CD2 3.31Å; E94-H96 PolarHBondContact O-N 2.8Å
95G93.2Very high94Very high88 Ų8872.2 Ų72.291%0.90738%0.383SS*.THydrogen-bonded Turntrans78.81.9-178.500000114.7A93A93-G95 PolarHBondContact O-N 3.34Å; A93-G95 VanDerWaalsContact O-N 3.11Å
96H94.6Very high94Very high113 Ų11368.1 Ų68.152%0.52337%0.365SS..EExtended strand (participates in β ladder)trans-107.6152.6176.5-61.3-72.4000111.7H92 A93 E94 Y98H92-H96 WeakPolarHBondContact CA-O 3.35Å; A93-H96 PolarHBondContact N-O 2.84Å; A93-H96 WeakPolarHBondContact O-CA 3.41Å; A93-H96 WeakPolarHBondContact O-CB 3.27Å; A93-H96 PolarHBondContact O-N 2.99Å; E94-H96 PolarHBondContact O-CD2 3.11Å; E94-H96 VanDerWaalsContact O-CD2 3.31Å; E94-H96 PolarHBondContact O-N 2.8Å; H96-Y98 HydrophobicContact CB-CD2 4.31Å; H96-Y98 HydrophobicContact CB-CE2 3.51Å
97T94.5Very high94Very high72 Ų7262.7 Ų62.744%0.44234%0.34SS..EExtended strand (participates in β ladder)trans-103.4125.9172.1-61.20000108.9V90 H92 Y99V90-T97 HydrophobicContact CG1-CG2 3.6Å; H92-T97 PolarHBondContact CE1-OG1 2.99Å; H92-T97 PolarHBondContact ND1-OG1 2.8Å; T97-Y99 HydrophobicContact CG2-CE2 4.34Å
98Y94.1Very high94Very high117 Ų11763.1 Ų63.146%0.45934%0.344SS..EExtended strand (participates in β ladder)trans-119.4166.8174.7-57.9-86.1000109.3V91 A93 H96V91-Y98 PolarHBondContact N-O 3.19Å; V91-Y98 PolarHBondContact O-N 2.89Å; A93-Y98 HydrophobicContact CB-CD2 4.19Å; A93-Y98 HydrophobicContact CB-CE2 4.01Å; H96-Y98 HydrophobicContact CB-CD2 4.31Å; H96-Y98 HydrophobicContact CB-CE2 3.51Å
99Y94.8Very high94Very high102 Ų10268.4 Ų68.440%0.436%0.364SS..EExtended strand (participates in β ladder)trans-128.4123.2176.7-57.2-92.1000108.7C84 E85 E89 V90 T97C84-Y99 WeakPolarHBondContact O-CB 3.48Å; E85-Y99 HydrophobicContact CB-CD2 4.35Å; E85-Y99 HydrophobicContact CB-CG 4.43Å; E85-Y99 HydrophobicContact CG-CD2 3.7Å; E85-Y99 HydrophobicContact CG-CE2 3.93Å; E85-Y99 HydrophobicContact CG-CG 4.21Å; E89-Y99 WeakPolarHBondContact O-CA 3.29Å; V90-Y99 HydrophobicContact CG2-CD1 4.16Å; V90-Y99 HydrophobicContact CG2-CE1 4.01Å; T97-Y99 HydrophobicContact CG2-CE2 4.34Å
100D93.5Very high93.8Very high41 Ų4170.7 Ų70.722%0.21938%0.379CS..PPolyproline II helixtrans-72.1164.2179.4-157.6-1000110.9S7 G88 E89 V91S7-D100 WeakPolarHBondContact CB-OD2 3.46Å; G88-D100 WeakPolarHBondContact CA-O 3.23Å; E89-D100 HydrophobicContact CB-CB 4.5Å; E89-D100 PolarHBondContact O-N 3.28Å; V91-D100 HydrophobicContact CG2-CB 4.11Å
101F95.6Very high93.7Very high7 Ų772.1 Ų72.13%0.03138%0.38CS..PPolyproline II helixtrans-64.5136.4173.3-160.8-89000110.3R8 E60 I63 I80 M83 T103R8-F101 PolarHBondContact NH2-O 2.91Å; E60-F101 HydrophobicContact CB-CD1 3.95Å; E60-F101 HydrophobicContact CB-CD2 4.33Å; E60-F101 HydrophobicContact CB-CE1 4.19Å; E60-F101 HydrophobicContact CB-CG 4.03Å; E60-F101 HydrophobicContact CB-CZ 4.45Å; E60-F101 HydrophobicContact CG-CB 4.27Å; E60-F101 HydrophobicContact CG-CD1 4.12Å; E60-F101 HydrophobicContact CG-CD2 3.59Å; E60-F101 HydrophobicContact CG-CE1 4.38Å; E60-F101 HydrophobicContact CG-CE2 3.85Å; E60-F101 HydrophobicContact CG-CG 3.71Å; E60-F101 HydrophobicContact CG-CZ 4.24Å; I63-F101 HydrophobicContact CB-CE1 3.99Å; I63-F101 HydrophobicContact CB-CZ 3.72Å; I63-F101 HydrophobicContact CG1-CE1 4.4Å; I63-F101 HydrophobicContact CG2-CE1 4.12Å; I63-F101 HydrophobicContact CG2-CZ 3.69Å; I80-F101 HydrophobicContact CG2-CE2 4.19Å; M83-F101 HydrophobicContact CE-CD2 4.39Å; M83-F101 HydrophobicContact CE-CE1 4.22Å; M83-F101 HydrophobicContact CE-CE2 3.48Å; M83-F101 VanDerWaalsContact CE-CE2 3.48Å; M83-F101 HydrophobicContact CE-CZ 3.37Å; F101-T103 PolarHBondContact O-N 3.16Å
102P95.3Very high93.8Very high0 Ų070.6 Ų70.60%037%0.371CS..PPolyproline II helixtrans-52.6143-179.1-28.135.3000113.2R8 M83 L87 L107R8-P102 PolarHBondContact NH2-O 3.31Å; M83-P102 HydrophobicContact CG-CG 3.74Å; M83-P102 HydrophobicContact SD-CG 4.47Å; L87-P102 HydrophobicContact CB-CB 3.98Å; L87-P102 HydrophobicContact CB-CG 3.68Å; P102-L107 HydrophobicContact CB-CD1 3.96Å; P102-L107 HydrophobicContact CB-CD2 4.13Å; P102-L107 HydrophobicContact CB-CG 3.73Å; P102-L107 HydrophobicContact CG-CD2 4.48Å
103T94.2Very high94Very high42 Ų4267.5 Ų67.526%0.25836%0.357SS..PPolyproline II helixtrans-71.2162.2170.8630000110.3F101 D105 S106 L107F101-T103 PolarHBondContact O-N 3.16Å; T103-D105 PolarHBondContact O-N 3.13Å; T103-S106 PolarHBondContact O-N 2.77Å; T103-S106 WeakPolarHBondContact OG1-CB 3.33Å; T103-S106 PolarHBondContact OG1-N 3.39Å; T103-S106 VanDerWaalsContact OG1-N 3.13Å; T103-L107 PolarHBondContact O-N 3.39Å; T103-L107 VanDerWaalsContact O-N 3.12Å
104I95.5Very high94.4Very high19 Ų1969.5 Ų69.510%0.09737%0.366CS..Hα-helixtrans-61.5-37.3174.6-168165.9000111.6F59 L107 T108 A132 V135 L136 I140F59-I104 HydrophobicContact CD2-CD1 4.35Å; F59-I104 HydrophobicContact CE1-CB 4.03Å; F59-I104 HydrophobicContact CE2-CB 4.2Å; F59-I104 HydrophobicContact CE2-CD1 3.99Å; F59-I104 HydrophobicContact CE2-CG1 3.86Å; F59-I104 HydrophobicContact CZ-CB 3.81Å; F59-I104 HydrophobicContact CZ-CD1 4.43Å; F59-I104 HydrophobicContact CZ-CG1 3.83Å; I104-L107 PolarHBondContact O-N 2.9Å; I104-T108 HydrophobicContact CG1-CG2 4.39Å; I104-T108 WeakPolarHBondContact O-CB 3.46Å; I104-T108 VanDerWaalsContact O-CG2 3.26Å; I104-T108 WeakPolarHBondContact O-CG2 3.37Å; I104-T108 PolarHBondContact O-N 3.17Å; I104-T108 VanDerWaalsContact O-N 3.13Å; I104-T108 PolarHBondContact O-OG1 3.14Å; I104-A132 WeakPolarHBondContact CD1-O 3.32Å; I104-V135 HydrophobicContact CD1-CB 3.87Å; I104-V135 HydrophobicContact CD1-CG1 3.59Å; I104-L136 HydrophobicContact CD1-CB 3.73Å; I104-L136 HydrophobicContact CD1-CD1 4.23Å; I104-L136 HydrophobicContact CG1-CB 4.02Å; I104-L136 HydrophobicContact CG1-CD1 4.32Å; I104-L136 HydrophobicContact CG2-CD1 4.08Å; I104-I140 HydrophobicContact CD1-CD1 4.29Å
105D94.6Very high94.7Very high98 Ų9862.8 Ų62.852%0.52434%0.338SS..Hα-helixtrans-62.7-44.7175.3-56.5-80.1000111.4T103 L107 T108 Q109T103-D105 PolarHBondContact O-N 3.13Å; D105-L107 VanDerWaalsContact C-N 3.29Å; D105-L107 PolarHBondContact O-N 2.96Å; D105-T108 WeakPolarHBondContact CA-OG1 3.11Å; D105-T108 PolarHBondContact O-N 2.65Å; D105-T108 VanDerWaalsContact O-N 3.17Å; D105-T108 PolarHBondContact O-OG1 3.04Å; D105-Q109 VanDerWaalsContact O-CG 3.32Å; D105-Q109 WeakPolarHBondContact O-CG 3.27Å; D105-Q109 PolarHBondContact O-N 3.39Å
106S94.6Very high95Very high17 Ų1758.6 Ų58.612%0.11930%0.295CS..Hα-helixtrans-59.5-39.2177.1-178.80000112.2L87 T103 T108 S112L87-S106 PolarHBondContact O-OG 3.31Å; T103-S106 PolarHBondContact O-N 2.77Å; T103-S106 WeakPolarHBondContact OG1-CB 3.33Å; T103-S106 PolarHBondContact OG1-N 3.39Å; T103-S106 VanDerWaalsContact OG1-N 3.13Å; S106-T108 VanDerWaalsContact C-N 3.34Å; S106-S112 PolarHBondContact O-OG 3.41Å
107L96.2Very high95.1Very high0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-82-7.8179.8-72.7171.5000114.6F59 I63 M83 L87 P102 T103 I104 D105 S112 L116 V128 A132F59-L107 HydrophobicContact CE1-CD1 3.83Å; F59-L107 HydrophobicContact CZ-CD1 3.68Å; I63-L107 HydrophobicContact CG1-CD1 4.15Å; I63-L107 HydrophobicContact CG2-CD1 4.26Å; M83-L107 HydrophobicContact SD-CD2 4.16Å; L87-L107 HydrophobicContact CD1-CD2 3.87Å; P102-L107 HydrophobicContact CB-CD1 3.96Å; P102-L107 HydrophobicContact CB-CD2 4.13Å; P102-L107 HydrophobicContact CB-CG 3.73Å; P102-L107 HydrophobicContact CG-CD2 4.48Å; T103-L107 PolarHBondContact O-N 3.39Å; T103-L107 VanDerWaalsContact O-N 3.12Å; I104-L107 PolarHBondContact O-N 2.9Å; D105-L107 VanDerWaalsContact C-N 3.29Å; D105-L107 PolarHBondContact O-N 2.96Å; L107-S112 VanDerWaalsContact C-OG 3.29Å; L107-S112 VanDerWaalsContact O-CB 3.27Å; L107-S112 WeakPolarHBondContact O-CB 3.27Å; L107-S112 PolarHBondContact O-OG 3.44Å; L107-L116 HydrophobicContact CD2-CD1 4.32Å; L107-V128 HydrophobicContact CD1-CG1 4.47Å; L107-V128 HydrophobicContact CD2-CG1 4.03Å; L107-A132 HydrophobicContact CB-CB 3.89Å
108T96Very high95.3Very high32 Ų3261.7 Ų61.720%0.19630%0.304CS..Hα-helixtrans-111.61.6-178.452.70000113.4I104 D105 S106 A132 R133 L136I104-T108 HydrophobicContact CG1-CG2 4.39Å; I104-T108 WeakPolarHBondContact O-CB 3.46Å; I104-T108 VanDerWaalsContact O-CG2 3.26Å; I104-T108 WeakPolarHBondContact O-CG2 3.37Å; I104-T108 PolarHBondContact O-N 3.17Å; I104-T108 VanDerWaalsContact O-N 3.13Å; I104-T108 PolarHBondContact O-OG1 3.14Å; D105-T108 WeakPolarHBondContact CA-OG1 3.11Å; D105-T108 PolarHBondContact O-N 2.65Å; D105-T108 VanDerWaalsContact O-N 3.17Å; D105-T108 PolarHBondContact O-OG1 3.04Å; S106-T108 VanDerWaalsContact C-N 3.34Å; T108-A132 VanDerWaalsContact CG2-C 3.44Å; T108-A132 HydrophobicContact CG2-CB 3.73Å; T108-R133 HydrophobicContact CG2-CB 4.17Å; T108-L136 HydrophobicContact CG2-CB 4.41Å; T108-L136 HydrophobicContact CG2-CD2 4.12Å
109Q94.6Very high95.5Very high127 Ų12756.9 Ų56.959%0.59329%0.286SS*.SBendtrans-59.6152.5169.8-58.6-168.2-19.200111.1D105 E111 S112D105-Q109 VanDerWaalsContact O-CG 3.32Å; D105-Q109 WeakPolarHBondContact O-CG 3.27Å; D105-Q109 PolarHBondContact O-N 3.39Å; Q109-E111 PolarHBondContact O-N 3.2Å; Q109-E111 VanDerWaalsContact O-N 3.12Å; Q109-S112 WeakPolarHBondContact CA-OG 3.44Å; Q109-S112 WeakPolarHBondContact CB-OG 3.45Å; Q109-S112 PolarHBondContact N-OG 3Å; Q109-S112 VanDerWaalsContact O-CB 3.3Å; Q109-S112 WeakPolarHBondContact O-CB 3.32Å; Q109-S112 PolarHBondContact O-N 2.97Å; Q109-S112 PolarHBondContact O-OG 3.32Å
110L89.2Confident95.6Very high159 Ų15953.4 Ų53.483%0.83228%0.281SS*.THydrogen-bonded Turntrans-53-38.4-175.1-173.962.7000113.1
111E93Very high95.8Very high111 Ų11151.5 Ų51.552%0.51927%0.271SS..THydrogen-bonded Turntrans-89.2-1.8-176.8-59.5-56.4145.800114.2Q109 E113 V114 V115Q109-E111 PolarHBondContact O-N 3.2Å; Q109-E111 VanDerWaalsContact O-N 3.12Å; E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 2.91Å; E111-V114 PolarHBondContact O-N 3.12Å; E111-V114 VanDerWaalsContact O-N 3.07Å; E111-V115 WeakPolarHBondContact O-CG2 3.2Å; E111-V115 PolarHBondContact O-N 3.23Å
112S93.4Very high95.8Very high3 Ų352.7 Ų52.72%0.02129%0.285CS..Hα-helixtrans-58.8-43-171.2-51.90000112.5S106 L107 Q109 V114 V115 L116S106-S112 PolarHBondContact O-OG 3.41Å; L107-S112 VanDerWaalsContact C-OG 3.29Å; L107-S112 VanDerWaalsContact O-CB 3.27Å; L107-S112 WeakPolarHBondContact O-CB 3.27Å; L107-S112 PolarHBondContact O-OG 3.44Å; Q109-S112 WeakPolarHBondContact CA-OG 3.44Å; Q109-S112 WeakPolarHBondContact CB-OG 3.45Å; Q109-S112 PolarHBondContact N-OG 3Å; Q109-S112 VanDerWaalsContact O-CB 3.3Å; Q109-S112 WeakPolarHBondContact O-CB 3.32Å; Q109-S112 PolarHBondContact O-N 2.97Å; Q109-S112 PolarHBondContact O-OG 3.32Å; S112-V114 PolarHBondContact O-N 3.35Å; S112-V115 PolarHBondContact O-N 3.03Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 VanDerWaalsContact O-CG 3.23Å; S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.37Å
113E97.1Very high95.9Very high55 Ų5557.5 Ų57.526%0.25730%0.304SS..Hα-helixtrans-63-42.7177.8-175.9179.9152.600111.6E111 L116 R117 A125 A129E111-E113 VanDerWaalsContact C-N 3.34Å; E111-E113 PolarHBondContact O-N 2.91Å; E113-L116 PolarHBondContact O-N 3.26Å; E113-R117 WeakPolarHBondContact O-CG 3.36Å; E113-R117 PolarHBondContact O-N 2.82Å; E113-R117 IonicContact OE1-CZ 2.88Å; E113-R117 VanDerWaalsContact OE1-CZ 3.22Å; E113-R117 IonicContact OE1-NE 3.63Å; E113-R117 PolarHBondContact OE1-NE 2.93Å; E113-R117 IonicContact OE1-NH2 2.8Å; E113-R117 PolarHBondContact OE1-NH2 2.92Å; E113-A125 HydrophobicContact CG-CB 4.01Å; E113-A129 HydrophobicContact CB-CB 4.03Å
114V97.7Very high96.1Very high70 Ų7056.1 Ų56.142%0.42429%0.294SS..Hα-helixtrans-63.1-45.6180177.60000110.2E111 S112 L116 R117 N118E111-V114 PolarHBondContact O-N 3.12Å; E111-V114 VanDerWaalsContact O-N 3.07Å; S112-V114 PolarHBondContact O-N 3.35Å; V114-L116 PolarHBondContact O-N 3.33Å; V114-R117 PolarHBondContact O-N 3.09Å; V114-N118 PolarHBondContact O-N 3.23Å; V114-N118 PolarHBondContact O-ND2 2.87Å
115V97.5Very high96.2Very high45 Ų4555.2 Ų55.227%0.27329%0.289SS..Hα-helixtrans-57.4-50.6174.7174.80000110.5L87 E111 S112 R117 N118 L119L87-V115 HydrophobicContact CD1-CG1 4.29Å; L87-V115 HydrophobicContact CD2-CG1 4.02Å; L87-V115 HydrophobicContact CG-CG1 4.23Å; E111-V115 WeakPolarHBondContact O-CG2 3.2Å; E111-V115 PolarHBondContact O-N 3.23Å; S112-V115 PolarHBondContact O-N 3.03Å; V115-R117 VanDerWaalsContact C-N 3.31Å; V115-R117 PolarHBondContact O-N 3.33Å; V115-N118 WeakPolarHBondContact O-CB 3.31Å; V115-N118 PolarHBondContact O-N 2.79Å; V115-N118 VanDerWaalsContact O-N 3.13Å; V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 HydrophobicContact CG1-CG 4.45Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.18Å
116L98.2Very high96.3Very high0 Ų055.1 Ų55.10%028%0.282CS..Hα-helixtrans-60.7-37.4179.4-68.7170.7000112.7M83 L87 L107 S112 E113 V114 L119 G120 F121 A125 V128M83-L116 HydrophobicContact CB-CD2 4.43Å; M83-L116 HydrophobicContact CG-CD2 3.98Å; M83-L116 HydrophobicContact SD-CD2 3.95Å; L87-L116 HydrophobicContact CD1-CD2 3.95Å; L87-L116 HydrophobicContact CD1-CG 4.28Å; L107-L116 HydrophobicContact CD2-CD1 4.32Å; S112-L116 WeakPolarHBondContact O-CB 3.48Å; S112-L116 VanDerWaalsContact O-CG 3.23Å; S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.37Å; E113-L116 PolarHBondContact O-N 3.26Å; V114-L116 PolarHBondContact O-N 3.33Å; L116-L119 PolarHBondContact O-N 3.16Å; L116-G120 PolarHBondContact O-N 3.26Å; L116-F121 HydrophobicContact CB-CB 4.29Å; L116-F121 HydrophobicContact CB-CD1 4.42Å; L116-F121 HydrophobicContact CB-CD2 4.45Å; L116-F121 HydrophobicContact CB-CG 4.13Å; L116-F121 HydrophobicContact CD2-CD1 4.06Å; L116-F121 HydrophobicContact CD2-CD2 4.25Å; L116-F121 HydrophobicContact CD2-CE1 3.86Å; L116-F121 HydrophobicContact CD2-CE2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.27Å; L116-F121 HydrophobicContact CD2-CZ 3.92Å; L116-F121 VanDerWaalsContact O-CB 3.28Å; L116-F121 WeakPolarHBondContact O-CB 3.35Å; L116-F121 WeakPolarHBondContact O-CD2 3.32Å; L116-F121 PolarHBondContact O-N 3.23Å; L116-F121 VanDerWaalsContact O-N 3.12Å; L116-A125 HydrophobicContact CB-CB 3.67Å; L116-V128 HydrophobicContact CD1-CB 3.93Å; L116-V128 HydrophobicContact CD1-CG1 3.54Å
117R98Very high96.5Very high115 Ų11556.3 Ų56.343%0.43429%0.285SS..Hα-helixtrans-62.2-45.7174.3-75.1-179.7-179.1-901.4111.5E113 V114 V115 L119 G120 A125E113-R117 WeakPolarHBondContact O-CG 3.36Å; E113-R117 PolarHBondContact O-N 2.82Å; E113-R117 IonicContact OE1-CZ 2.88Å; E113-R117 VanDerWaalsContact OE1-CZ 3.22Å; E113-R117 IonicContact OE1-NE 3.63Å; E113-R117 PolarHBondContact OE1-NE 2.93Å; E113-R117 IonicContact OE1-NH2 2.8Å; E113-R117 PolarHBondContact OE1-NH2 2.92Å; V114-R117 PolarHBondContact O-N 3.09Å; V115-R117 VanDerWaalsContact C-N 3.31Å; V115-R117 PolarHBondContact O-N 3.33Å; R117-L119 PolarHBondContact O-N 2.91Å; R117-G120 PolarHBondContact O-N 3.02Å; R117-A125 HydrophobicContact CB-CB 4.44Å; R117-A125 HydrophobicContact CG-CB 3.5Å; R117-A125 VanDerWaalsContact CG-CB 3.5Å
118N98Very high96.6Very high135 Ų13556.3 Ų56.372%0.72229%0.285SS*.Hα-helixtrans-63.3-29.2176.8-68.4-19.9000112.3V114 V115 G120V114-N118 PolarHBondContact O-N 3.23Å; V114-N118 PolarHBondContact O-ND2 2.87Å; V115-N118 WeakPolarHBondContact O-CB 3.31Å; V115-N118 PolarHBondContact O-N 2.79Å; V115-N118 VanDerWaalsContact O-N 3.13Å; N118-G120 PolarHBondContact O-N 3.45Å
119L97.7Very high96.7Very high17 Ų1755.6 Ų55.69%0.08928%0.282CS..THydrogen-bonded Turntrans-78.4-2.6174.1-62.8177.4000114.3R82 H86 V115 L116 R117 F121R82-L119 HydrophobicContact CB-CD2 4.36Å; R82-L119 PolarHBondContact NH1-O 3.44Å; H86-L119 HydrophobicContact CB-CD1 3.95Å; V115-L119 HydrophobicContact CG1-CD1 4.05Å; V115-L119 HydrophobicContact CG1-CG 4.45Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.18Å; L116-L119 PolarHBondContact O-N 3.16Å; R117-L119 PolarHBondContact O-N 2.91Å; L119-F121 HydrophobicContact CB-CD2 4.08Å; L119-F121 HydrophobicContact CB-CE2 4.21Å
120G96.7Very high96.8Very high29 Ų2952.9 Ų52.930%0.29927%0.27SS..THydrogen-bonded Turntrans93.618.3174.200000115.3R75 L116 R117 N118 G122R75-G120 PolarHBondContact NH2-O 2.92Å; L116-G120 PolarHBondContact O-N 3.26Å; R117-G120 PolarHBondContact O-N 3.02Å; N118-G120 PolarHBondContact O-N 3.45Å; G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 3.37Å
121F97.9Very high97.3Very high0 Ų045.3 Ų45.30%023%0.23CC..  trans-70.1-22.9177.9-78.3-124.8000112.9C67 M79 M83 L116 L119 Y123 R124 A125 V128C67-F121 WeakPolarHBondContact SG-CE1 3.38Å; M79-F121 HydrophobicContact CB-CD2 4.43Å; M79-F121 HydrophobicContact CB-CE2 3.83Å; M79-F121 HydrophobicContact CB-CZ 3.91Å; M79-F121 HydrophobicContact CE-CB 3.95Å; M79-F121 HydrophobicContact CE-CD1 3.53Å; M79-F121 HydrophobicContact CE-CD2 3.84Å; M79-F121 HydrophobicContact CE-CE1 3.86Å; M79-F121 HydrophobicContact CE-CE2 4.12Å; M79-F121 HydrophobicContact CE-CG 3.5Å; M79-F121 HydrophobicContact CE-CZ 4.11Å; M79-F121 HydrophobicContact CG-CD2 4.43Å; M79-F121 HydrophobicContact CG-CE2 4.28Å; M79-F121 WeakPolarHBondContact O-CE2 3.29Å; M79-F121 WeakPolarHBondContact O-CZ 3.32Å; M83-F121 HydrophobicContact CB-CE2 4.14Å; M83-F121 HydrophobicContact CB-CZ 3.66Å; M83-F121 HydrophobicContact CG-CZ 4.23Å; M83-F121 HydrophobicContact SD-CE1 3.94Å; M83-F121 HydrophobicContact SD-CZ 3.84Å; L116-F121 HydrophobicContact CB-CB 4.29Å; L116-F121 HydrophobicContact CB-CD1 4.42Å; L116-F121 HydrophobicContact CB-CD2 4.45Å; L116-F121 HydrophobicContact CB-CG 4.13Å; L116-F121 HydrophobicContact CD2-CD1 4.06Å; L116-F121 HydrophobicContact CD2-CD2 4.25Å; L116-F121 HydrophobicContact CD2-CE1 3.86Å; L116-F121 HydrophobicContact CD2-CE2 4.09Å; L116-F121 HydrophobicContact CD2-CG 4.27Å; L116-F121 HydrophobicContact CD2-CZ 3.92Å; L116-F121 VanDerWaalsContact O-CB 3.28Å; L116-F121 WeakPolarHBondContact O-CB 3.35Å; L116-F121 WeakPolarHBondContact O-CD2 3.32Å; L116-F121 PolarHBondContact O-N 3.23Å; L116-F121 VanDerWaalsContact O-N 3.12Å; L119-F121 HydrophobicContact CB-CD2 4.08Å; L119-F121 HydrophobicContact CB-CE2 4.21Å; F121-Y123 PolarHBondContact O-N 3Å; F121-R124 WeakPolarHBondContact O-CB 3.37Å; F121-R124 PolarHBondContact O-N 2.93Å; F121-A125 HydrophobicContact CB-CB 3.96Å; F121-V128 HydrophobicContact CD1-CG2 4.36Å; F121-V128 HydrophobicContact CE1-CG2 4.42Å
122G96.8Very high97.5Very high32 Ų3240 Ų4033%0.3321%0.205SC..THydrogen-bonded Turntrans59.8-133.5-17800000111.4G120 R124 A125G120-G122 VanDerWaalsContact C-N 3.25Å; G120-G122 PolarHBondContact O-N 3.37Å; G122-R124 PolarHBondContact O-N 2.88Å; G122-R124 VanDerWaalsContact O-N 3.13Å; G122-A125 WeakPolarHBondContact O-CB 3.33Å; G122-A125 PolarHBondContact O-N 2.99Å; G122-A125 VanDerWaalsContact O-N 3.16Å
123Y96.8Very high97.7Very high102 Ų10247.3 Ų47.340%0.423%0.232SC..THydrogen-bonded Turntrans-61.7-20.817969.2-100.3000113.7S69 F121 A125 F127S69-Y123 PolarHBondContact O-OH 3.49Å; F121-Y123 PolarHBondContact O-N 3Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 2.9Å; Y123-F127 AromaticContact CD2-CD2 3.93Å; Y123-F127 HydrophobicContact CD2-CD2 3.93Å; Y123-F127 AromaticContact CD2-CE2 3.49Å; Y123-F127 HydrophobicContact CD2-CE2 3.49Å; Y123-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y123-F127 HydrophobicContact CD2-CZ 4.29Å; Y123-F127 HydrophobicContact CE2-CD2 4.13Å; Y123-F127 AromaticContact CE2-CE2 3.67Å; Y123-F127 HydrophobicContact CE2-CE2 3.67Å
124R97.7Very high97.8Very high12 Ų1247.5 Ų47.55%0.04524%0.235CC..Hα-helixtrans-72.9-20.5179.7-60.3177.2-166.272.6-4.9112.5C67 S69 N70 F121 G122 R126 F127 V128C67-R124 WeakPolarHBondContact O-CD 3.32Å; C67-R124 PolarHBondContact O-NE 2.77Å; S69-R124 PolarHBondContact O-NE 2.86Å; S69-R124 PolarHBondContact O-NH2 3.02Å; S69-R124 PolarHBondContact OG-NE 3.11Å; N70-R124 PolarHBondContact O-NH2 3.05Å; F121-R124 WeakPolarHBondContact O-CB 3.37Å; F121-R124 PolarHBondContact O-N 2.93Å; G122-R124 PolarHBondContact O-N 2.88Å; G122-R124 VanDerWaalsContact O-N 3.13Å; R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 3.41Å; R124-F127 PolarHBondContact O-N 3.26Å; R124-F127 VanDerWaalsContact O-N 3.16Å; R124-V128 WeakPolarHBondContact O-CG2 3.42Å; R124-V128 PolarHBondContact O-N 2.69Å
125A98Very high97.8Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-55.4-47.8175.600000110.9E113 L116 R117 F121 G122 Y123 F127 V128 A129E113-A125 HydrophobicContact CG-CB 4.01Å; L116-A125 HydrophobicContact CB-CB 3.67Å; R117-A125 HydrophobicContact CB-CB 4.44Å; R117-A125 HydrophobicContact CG-CB 3.5Å; R117-A125 VanDerWaalsContact CG-CB 3.5Å; F121-A125 HydrophobicContact CB-CB 3.96Å; G122-A125 WeakPolarHBondContact O-CB 3.33Å; G122-A125 PolarHBondContact O-N 2.99Å; G122-A125 VanDerWaalsContact O-N 3.16Å; Y123-A125 VanDerWaalsContact C-N 3.26Å; Y123-A125 PolarHBondContact O-N 2.9Å; A125-F127 PolarHBondContact O-N 3.2Å; A125-V128 PolarHBondContact O-N 3.27Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.19Å
126R97.7Very high97.8Very high97 Ų9745.2 Ų45.237%0.36622%0.218SC..Hα-helixtrans-60.3-45.7175.5-172.8178.269.482.6-4.1112.1R124 V128 A129 E130R124-R126 VanDerWaalsContact C-N 3.28Å; R124-R126 PolarHBondContact O-N 3.41Å; R126-V128 PolarHBondContact O-N 3.23Å; R126-A129 PolarHBondContact O-N 2.95Å; R126-E130 VanDerWaalsContact CD-OE1 3.24Å; R126-E130 WeakPolarHBondContact CD-OE1 3.35Å; R126-E130 HydrophobicContact CG-CG 4.1Å; R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 IonicContact CZ-OE1 3.42Å; R126-E130 IonicContact NE-OE1 3.2Å; R126-E130 IonicContact NH1-OE1 3.7Å; R126-E130 PolarHBondContact NH1-OE1 3.5Å; R126-E130 IonicContact NH1-OE2 2.78Å; R126-E130 PolarHBondContact NH1-OE2 3.47Å; R126-E130 WeakPolarHBondContact O-CB 3.39Å; R126-E130 WeakPolarHBondContact O-CG 3.43Å; R126-E130 PolarHBondContact O-N 3.1Å
127F98.3Very high97.8Very high42 Ų4250.6 Ų50.618%0.18425%0.247CC..Hα-helixtrans-62-40.6178.9-66-27.5000113.2I66 Y123 R124 A125 S131 P162 G163I66-F127 HydrophobicContact CG2-CB 3.66Å; Y123-F127 AromaticContact CD2-CD2 3.93Å; Y123-F127 HydrophobicContact CD2-CD2 3.93Å; Y123-F127 AromaticContact CD2-CE2 3.49Å; Y123-F127 HydrophobicContact CD2-CE2 3.49Å; Y123-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y123-F127 HydrophobicContact CD2-CZ 4.29Å; Y123-F127 HydrophobicContact CE2-CD2 4.13Å; Y123-F127 AromaticContact CE2-CE2 3.67Å; Y123-F127 HydrophobicContact CE2-CE2 3.67Å; R124-F127 PolarHBondContact O-N 3.26Å; R124-F127 VanDerWaalsContact O-N 3.16Å; A125-F127 PolarHBondContact O-N 3.2Å; F127-S131 WeakPolarHBondContact O-CB 3.26Å; F127-S131 PolarHBondContact O-N 2.92Å; F127-S131 PolarHBondContact O-OG 2.67Å; F127-P162 HydrophobicContact CD1-CB 3.95Å; F127-G163 VanDerWaalsContact CD2-CA 3.49Å; F127-G163 VanDerWaalsContact CG-CA 3.5Å
128V98.4Very high97.8Very high0 Ų050.8 Ų50.80%025%0.248CC..Hα-helixtrans-64.4-51.4175.4167.30000110.4I63 I66 L107 L116 F121 R124 A125 R126 S131 A132I63-V128 HydrophobicContact CD1-CG1 4.28Å; I63-V128 HydrophobicContact CG2-CG1 3.87Å; I63-V128 HydrophobicContact CG2-CG2 4.15Å; I66-V128 HydrophobicContact CB-CG2 4.4Å; I66-V128 HydrophobicContact CG2-CG2 3.81Å; L107-V128 HydrophobicContact CD1-CG1 4.47Å; L107-V128 HydrophobicContact CD2-CG1 4.03Å; L116-V128 HydrophobicContact CD1-CB 3.93Å; L116-V128 HydrophobicContact CD1-CG1 3.54Å; F121-V128 HydrophobicContact CD1-CG2 4.36Å; F121-V128 HydrophobicContact CE1-CG2 4.42Å; R124-V128 WeakPolarHBondContact O-CG2 3.42Å; R124-V128 PolarHBondContact O-N 2.69Å; A125-V128 PolarHBondContact O-N 3.27Å; R126-V128 PolarHBondContact O-N 3.23Å; V128-S131 PolarHBondContact O-N 2.79Å; V128-A132 VanDerWaalsContact O-CB 3.26Å; V128-A132 WeakPolarHBondContact O-CB 3.41Å; V128-A132 PolarHBondContact O-N 3.5Å
129A97.5Very high97.7Very high17 Ų1745.8 Ų45.814%0.1423%0.228CC..Hα-helixtrans-63.4-48.2-177.700000112.5E113 A125 R126 A132 R133E113-A129 HydrophobicContact CB-CB 4.03Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.19Å; R126-A129 PolarHBondContact O-N 2.95Å; A129-A132 PolarHBondContact O-N 2.92Å; A129-R133 PolarHBondContact O-N 3.18Å
130E97.6Very high97.5Very high70 Ų7047.4 Ų47.433%0.32724%0.236SC..Hα-helixtrans-67.5-40.3179.1-67.8177.4-170.800112.1R126 R133 L134 P162R126-E130 VanDerWaalsContact CD-OE1 3.24Å; R126-E130 WeakPolarHBondContact CD-OE1 3.35Å; R126-E130 HydrophobicContact CG-CG 4.1Å; R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 IonicContact CZ-OE1 3.42Å; R126-E130 IonicContact NE-OE1 3.2Å; R126-E130 IonicContact NH1-OE1 3.7Å; R126-E130 PolarHBondContact NH1-OE1 3.5Å; R126-E130 IonicContact NH1-OE2 2.78Å; R126-E130 PolarHBondContact NH1-OE2 3.47Å; R126-E130 WeakPolarHBondContact O-CB 3.39Å; R126-E130 WeakPolarHBondContact O-CG 3.43Å; R126-E130 PolarHBondContact O-N 3.1Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-L134 WeakPolarHBondContact O-CG 3.34Å; E130-L134 PolarHBondContact O-N 2.78Å; E130-P162 HydrophobicContact CB-CB 4.08Å; E130-P162 HydrophobicContact CB-CG 3.76Å; E130-P162 WeakPolarHBondContact OE2-CG 3.24Å
131S98.5Very high97.5Very high0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-64.6-42.5175.4-69.40000111.8F127 V128 R133 L134 V135 P162F127-S131 WeakPolarHBondContact O-CB 3.26Å; F127-S131 PolarHBondContact O-N 2.92Å; F127-S131 PolarHBondContact O-OG 2.67Å; V128-S131 PolarHBondContact O-N 2.79Å; S131-R133 VanDerWaalsContact C-N 3.28Å; S131-R133 PolarHBondContact O-N 2.85Å; S131-L134 PolarHBondContact O-N 3.41Å; S131-V135 WeakPolarHBondContact O-CG2 3.23Å; S131-V135 PolarHBondContact O-N 3.2Å; S131-P162 WeakPolarHBondContact OG-CD 3.48Å; S131-P162 PolarHBondContact OG-O 3.45Å
132A98.3Very high97.5Very high0 Ų053.3 Ų53.30%025%0.254CS..Hα-helixtrans-60.1-41.3175.800000111.2F59 I104 L107 T108 V128 A129 V135 L136F59-A132 HydrophobicContact CE2-CB 4.06Å; F59-A132 HydrophobicContact CZ-CB 4.04Å; I104-A132 WeakPolarHBondContact CD1-O 3.32Å; L107-A132 HydrophobicContact CB-CB 3.89Å; T108-A132 VanDerWaalsContact CG2-C 3.44Å; T108-A132 HydrophobicContact CG2-CB 3.73Å; V128-A132 VanDerWaalsContact O-CB 3.26Å; V128-A132 WeakPolarHBondContact O-CB 3.41Å; V128-A132 PolarHBondContact O-N 3.5Å; A129-A132 PolarHBondContact O-N 2.92Å; A132-V135 PolarHBondContact O-N 3.4Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 3.18Å
133R97.9Very high97.6Very high156 Ų15651.8 Ų51.859%0.58924%0.239SC*.Hα-helixtrans-64.5-45.9176.5-170.5174.2-174.8130.41.1112.6T108 A129 E130 S131 V135 L136 D137T108-R133 HydrophobicContact CG2-CB 4.17Å; A129-R133 PolarHBondContact O-N 3.18Å; E130-R133 PolarHBondContact O-N 3.4Å; S131-R133 VanDerWaalsContact C-N 3.28Å; S131-R133 PolarHBondContact O-N 2.85Å; R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 PolarHBondContact O-N 3Å; R133-L136 WeakPolarHBondContact O-CB 3.5Å; R133-L136 PolarHBondContact O-N 3.41Å; R133-L136 VanDerWaalsContact O-N 3.09Å; R133-D137 VanDerWaalsContact O-CG 3.27Å; R133-D137 PolarHBondContact O-N 3.42Å
134L98.1Very high97.6Very high59 Ų5950.9 Ų50.931%0.30924%0.235SC..Hα-helixtrans-64.7-34.9177.5-72.7173.5000112.7E130 S131 L136 R138 L161 P162E130-L134 WeakPolarHBondContact O-CG 3.34Å; E130-L134 PolarHBondContact O-N 2.78Å; S131-L134 PolarHBondContact O-N 3.41Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.23Å; L134-R138 PolarHBondContact O-N 2.96Å; L134-L161 HydrophobicContact CB-CD2 3.87Å; L134-L161 HydrophobicContact CD1-CD2 4.28Å; L134-P162 VanDerWaalsContact CD1-CD 3.43Å; L134-P162 HydrophobicContact CD1-CG 3.98Å
135V98.4Very high97.6Very high0 Ų052.6 Ų52.60%025%0.248CC..Hα-helixtrans-66.7-39.6172.4175.80000110.2F59 L62 I104 S131 A132 R133 R138 G139 I140 W142 L143 L161F59-V135 HydrophobicContact CD2-CG1 4.16Å; L62-V135 HydrophobicContact CD2-CG2 3.82Å; I104-V135 HydrophobicContact CD1-CB 3.87Å; I104-V135 HydrophobicContact CD1-CG1 3.59Å; S131-V135 WeakPolarHBondContact O-CG2 3.23Å; S131-V135 PolarHBondContact O-N 3.2Å; A132-V135 PolarHBondContact O-N 3.4Å; R133-V135 VanDerWaalsContact C-N 3.31Å; R133-V135 PolarHBondContact O-N 3Å; V135-R138 PolarHBondContact O-N 3.48Å; V135-G139 CarbonylContact O-C 3.24Å; V135-G139 VanDerWaalsContact O-C 3.24Å; V135-G139 PolarHBondContact O-N 3.31Å; V135-I140 HydrophobicContact CG1-CD1 4.01Å; V135-W142 HydrophobicContact CG2-CZ3 4.01Å; V135-L143 HydrophobicContact CG1-CB 4.32Å; V135-L143 HydrophobicContact CG1-CD2 4.29Å; V135-L143 HydrophobicContact CG2-CD2 4.46Å; V135-L161 HydrophobicContact CG2-CD1 4.3Å; V135-L161 HydrophobicContact CG2-CD2 4.25Å
136L97.6Very high97.6Very high66 Ų6652.8 Ų52.835%0.34625%0.249SC..Hα-helixtrans-64.1-47.6178.2-176.262.8000110.9I104 T108 A132 R133 L134 R138 G139I104-L136 HydrophobicContact CD1-CB 3.73Å; I104-L136 HydrophobicContact CD1-CD1 4.23Å; I104-L136 HydrophobicContact CG1-CB 4.02Å; I104-L136 HydrophobicContact CG1-CD1 4.32Å; I104-L136 HydrophobicContact CG2-CD1 4.08Å; T108-L136 HydrophobicContact CG2-CB 4.41Å; T108-L136 HydrophobicContact CG2-CD2 4.12Å; A132-L136 WeakPolarHBondContact O-CB 3.48Å; A132-L136 PolarHBondContact O-N 3.18Å; R133-L136 WeakPolarHBondContact O-CB 3.5Å; R133-L136 PolarHBondContact O-N 3.41Å; R133-L136 VanDerWaalsContact O-N 3.09Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.5Å; L136-G139 WeakPolarHBondContact O-CA 3.41Å; L136-G139 PolarHBondContact O-N 3.19Å
137D97.9Very high97.6Very high113 Ų11351 Ų5160%0.60424%0.243SC*.Hα-helixtrans-61.4-34.2179.5-68-18.8000112.3R133 G139R133-D137 VanDerWaalsContact O-CG 3.27Å; R133-D137 PolarHBondContact O-N 3.42Å; D137-G139 VanDerWaalsContact C-N 3.33Å
138R97.7Very high97.6Very high120 Ų12054.8 Ų54.845%0.45327%0.273SS..Hα-helixtrans-81.9-12.4174.6-68.1173.5-177.9-91-0.6113.4L134 V135 L136 W142L134-R138 WeakPolarHBondContact O-CB 3.39Å; L134-R138 VanDerWaalsContact O-CG 3.26Å; L134-R138 WeakPolarHBondContact O-CG 3.23Å; L134-R138 PolarHBondContact O-N 2.96Å; V135-R138 PolarHBondContact O-N 3.48Å; L136-R138 VanDerWaalsContact C-N 3.27Å; L136-R138 PolarHBondContact O-N 3.5Å; R138-W142 HydrophobicContact CB-CB 3.92Å; R138-W142 HydrophobicContact CB-CD2 4Å; R138-W142 HydrophobicContact CB-CE3 4.09Å; R138-W142 HydrophobicContact CB-CG 3.92Å; R138-W142 HydrophobicContact CG-CD2 4.4Å
139G96.5Very high97.6Very high30 Ų3057 Ų5731%0.30929%0.288SS..  trans78.8139.3-167.400000112.7V135 L136 D137 E141 W142V135-G139 CarbonylContact O-C 3.24Å; V135-G139 VanDerWaalsContact O-C 3.24Å; V135-G139 PolarHBondContact O-N 3.31Å; L136-G139 WeakPolarHBondContact O-CA 3.41Å; L136-G139 PolarHBondContact O-N 3.19Å; D137-G139 VanDerWaalsContact C-N 3.33Å; G139-E141 PolarHBondContact O-N 2.89Å; G139-W142 VanDerWaalsContact O-CB 3.28Å; G139-W142 WeakPolarHBondContact O-CB 3.24Å; G139-W142 PolarHBondContact O-N 3.06Å
140I94.2Very high97.6Very high50 Ų5059.1 Ų59.126%0.25630%0.301SS..Hα-helixtrans-54.4-29.4-179.8-168.863.6000113.4F59 I104 V135 W142 L143 R144F59-I140 HydrophobicContact CB-CD1 3.68Å; F59-I140 HydrophobicContact CD2-CD1 4.25Å; F59-I140 HydrophobicContact CG-CD1 4.02Å; I104-I140 HydrophobicContact CD1-CD1 4.29Å; V135-I140 HydrophobicContact CG1-CD1 4.01Å; I140-W142 VanDerWaalsContact C-N 3.29Å; I140-W142 PolarHBondContact O-N 2.94Å; I140-L143 PolarHBondContact O-N 3.25Å; I140-R144 PolarHBondContact O-N 3.41Å
141E95.8Very high97.6Very high113 Ų11357.2 Ų57.253%0.52829%0.292SS..Hα-helixtrans-69.9-25.1-179.8-162.754-139.800112.8G139 L143 R144 S145G139-E141 PolarHBondContact O-N 2.89Å; E141-L143 VanDerWaalsContact C-N 3.31Å; E141-L143 PolarHBondContact O-N 2.57Å; E141-R144 PolarHBondContact O-N 2.76Å; E141-R144 WeakPolarHBondContact OE2-CD 3.35Å; E141-R144 IonicContact OE2-NH1 3.77Å; E141-S145 VanDerWaalsContact O-CB 3.32Å; E141-S145 WeakPolarHBondContact O-CB 3.4Å; E141-S145 PolarHBondContact O-N 3.01Å
142W98.4Very high97.6Very high40 Ų4062.8 Ų62.815%0.15232%0.321CS..Hα-helixtrans-55.8-48.7171.5164.377000110.8V135 R138 G139 I140 R144 S145 Q157 L161V135-W142 HydrophobicContact CG2-CZ3 4.01Å; R138-W142 HydrophobicContact CB-CB 3.92Å; R138-W142 HydrophobicContact CB-CD2 4Å; R138-W142 HydrophobicContact CB-CE3 4.09Å; R138-W142 HydrophobicContact CB-CG 3.92Å; R138-W142 HydrophobicContact CG-CD2 4.4Å; G139-W142 VanDerWaalsContact O-CB 3.28Å; G139-W142 WeakPolarHBondContact O-CB 3.24Å; G139-W142 PolarHBondContact O-N 3.06Å; I140-W142 VanDerWaalsContact C-N 3.29Å; I140-W142 PolarHBondContact O-N 2.94Å; W142-R144 VanDerWaalsContact C-N 3.33Å; W142-R144 PolarHBondContact O-N 3.03Å; W142-S145 PolarHBondContact O-N 3.23Å; W142-S145 PolarHBondContact O-OG 3.26Å; W142-Q157 HydrophobicContact CZ2-CB 4.19Å; W142-L161 HydrophobicContact CH2-CD1 4.02Å; W142-L161 HydrophobicContact CH2-CD2 4.08Å; W142-L161 HydrophobicContact CH2-CG 4.16Å; W142-L161 HydrophobicContact CZ3-CD1 4.19Å; W142-L161 HydrophobicContact CZ3-CD2 4.23Å
143L98.2Very high97.6Very high0 Ų065.9 Ų65.90%034%0.34CS..Hα-helixtrans-64.7-39.2-178.5-177.359.9000111.7P58 F59 L62 V135 I140 E141 L146 L158P58-L143 HydrophobicContact CB-CD2 4Å; P58-L143 HydrophobicContact CB-CG 3.76Å; F59-L143 HydrophobicContact CB-CD2 4.02Å; F59-L143 HydrophobicContact CD2-CD2 4.48Å; L62-L143 HydrophobicContact CB-CD2 4.35Å; L62-L143 HydrophobicContact CD2-CD1 4.41Å; L62-L143 HydrophobicContact CD2-CD2 3.83Å; V135-L143 HydrophobicContact CG1-CB 4.32Å; V135-L143 HydrophobicContact CG1-CD2 4.29Å; V135-L143 HydrophobicContact CG2-CD2 4.46Å; I140-L143 PolarHBondContact O-N 3.25Å; E141-L143 VanDerWaalsContact C-N 3.31Å; E141-L143 PolarHBondContact O-N 2.57Å; L143-L146 HydrophobicContact CD1-CD1 4.09Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 PolarHBondContact O-N 3.38Å; L143-L158 HydrophobicContact CD1-CD2 3.72Å
144R97.1Very high97.6Very high84 Ų8458.5 Ų58.532%0.31731%0.312SS..Hα-helixtrans-68.1-37.8177-67.6173.4179.81601.8112.2E57 P58 I140 E141 W142 L146 R147E57-R144 IonicContact OE1-NE 2.77Å; E57-R144 IonicContact OE1-NH2 2.69Å; E57-R144 PolarHBondContact OE1-NH2 3.15Å; P58-R144 HydrophobicContact CG-CG 4.1Å; I140-R144 PolarHBondContact O-N 3.41Å; E141-R144 PolarHBondContact O-N 2.76Å; E141-R144 WeakPolarHBondContact OE2-CD 3.35Å; E141-R144 IonicContact OE2-NH1 3.77Å; W142-R144 VanDerWaalsContact C-N 3.33Å; W142-R144 PolarHBondContact O-N 3.03Å; R144-L146 PolarHBondContact O-N 3.48Å; R144-L146 VanDerWaalsContact O-N 3.16Å; R144-R147 WeakPolarHBondContact O-CB 3.49Å; R144-R147 WeakPolarHBondContact O-CG 3.49Å; R144-R147 PolarHBondContact O-N 2.91Å; R144-R147 VanDerWaalsContact O-N 3.12Å
145S97.9Very high97.7Very high47 Ų4756 Ų5633%0.32930%0.3SS..Hα-helixtrans-61.9-21.8179.879.20000113.5E141 W142 R147 C148E141-S145 VanDerWaalsContact O-CB 3.32Å; E141-S145 WeakPolarHBondContact O-CB 3.4Å; E141-S145 PolarHBondContact O-N 3.01Å; W142-S145 PolarHBondContact O-N 3.23Å; W142-S145 PolarHBondContact O-OG 3.26Å; S145-R147 PolarHBondContact O-N 3.38Å; S145-R147 VanDerWaalsContact O-N 3.08Å; S145-C148 WeakPolarHBondContact O-CB 3.47Å; S145-C148 PolarHBondContact O-N 3.46Å
146L98.6Very high97.7Very high4 Ų458.4 Ų58.42%0.02132%0.319CS..G310 helixtrans-60.5-19.6175.4-59.7-175.2000112.8L143 R144 C148 C149 A154 Q157 L158 L177 K179L143-L146 HydrophobicContact CD1-CD1 4.09Å; L143-L146 WeakPolarHBondContact O-CB 3.28Å; L143-L146 PolarHBondContact O-N 3.38Å; R144-L146 PolarHBondContact O-N 3.48Å; R144-L146 VanDerWaalsContact O-N 3.16Å; L146-C148 PolarHBondContact O-N 3.24Å; L146-C149 PolarHBondContact O-N 3.3Å; L146-A154 HydrophobicContact CB-CB 4.12Å; L146-Q157 HydrophobicContact CD1-CB 4.28Å; L146-Q157 HydrophobicContact CD2-CB 3.95Å; L146-Q157 HydrophobicContact CD2-CG 4.14Å; L146-L158 HydrophobicContact CD1-CD2 4.07Å; L146-L158 HydrophobicContact CD1-CG 3.98Å; L146-L177 HydrophobicContact CB-CD1 3.77Å; L146-L177 HydrophobicContact CB-CD2 4.2Å; L146-L177 HydrophobicContact CD1-CD1 4.13Å; L146-K179 WeakPolarHBondContact O-CE 3.25Å; L146-K179 PolarHBondContact O-NZ 3.5Å; L146-K179 VanDerWaalsContact O-NZ 3.16Å
147R97.5Very high97.7Very high61 Ų6158.2 Ų58.223%0.2332%0.316CS..G310 helixtrans-56.7-35.4167.8-75.3175.9-172.7-95.75.2112.5R55 Q56 R144 S145 S176 L177 D178 K179R55-R147 VanDerWaalsContact CD-NH1 3.3Å; Q56-R147 PolarHBondContact O-NH2 3.08Å; R144-R147 WeakPolarHBondContact O-CB 3.49Å; R144-R147 WeakPolarHBondContact O-CG 3.49Å; R144-R147 PolarHBondContact O-N 2.91Å; R144-R147 VanDerWaalsContact O-N 3.12Å; S145-R147 PolarHBondContact O-N 3.38Å; S145-R147 VanDerWaalsContact O-N 3.08Å; R147-S176 PolarHBondContact NE-O 3.24Å; R147-S176 PolarHBondContact NH1-O 3.32Å; R147-S176 PolarHBondContact NH2-O 3.01Å; R147-L177 HydrophobicContact CG-CB 4.32Å; R147-L177 HydrophobicContact CG-CD2 4.03Å; R147-D178 IonicContact CZ-OD2 3.26Å; R147-D178 IonicContact NH1-OD1 2.85Å; R147-D178 PolarHBondContact NH1-OD1 2.97Å; R147-D178 IonicContact NH1-OD2 3.98Å; R147-D178 PolarHBondContact NH1-OD2 3.01Å; R147-K179 PolarHBondContact O-NZ 3.37Å
148C97.9Very high97.8Very high121 Ų12152.8 Ų52.882%0.81829%0.288SS*.G310 helixtrans-85.9-6.6-177.9-58.80000113.6S145 L146S145-C148 WeakPolarHBondContact O-CB 3.47Å; S145-C148 PolarHBondContact O-N 3.46Å; L146-C148 PolarHBondContact O-N 3.24Å
149C97.4Very high97.8Very high46 Ų4650.4 Ų50.431%0.31128%0.282SS..SBendtrans-88.2173177.6-590000112.4L146 T153 K179L146-C149 PolarHBondContact O-N 3.3Å; C149-T153 HydrophobicContact CB-CG2 3.93Å; C149-K179 PolarHBondContact O-NZ 2.69Å
150S98.1Very high97.9Very high62 Ų6253.9 Ų53.943%0.43429%0.293SS..  trans-67161.4165.969.80000111.2D152 T153 A154S150-D152 VanDerWaalsContact C-N 3.32Å; S150-D152 PolarHBondContact O-N 3.44Å; S150-T153 PolarHBondContact O-N 2.66Å; S150-T153 WeakPolarHBondContact OG-CB 3.37Å; S150-T153 PolarHBondContact OG-N 3.35Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.93Å; S150-T153 VanDerWaalsContact OG-OG1 3.05Å; S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 3.01Å
151Y98Very high98.1Very high30 Ų3051.8 Ų51.812%0.11828%0.282CS..Hα-helixtrans-54.6-47.8171.8155.7-97.7000111.6T153 A154 N155 D170 K179 A182 R220Y151-T153 PolarHBondContact O-N 3.43Å; Y151-A154 PolarHBondContact O-N 2.9Å; Y151-N155 HydrophobicContact CE2-CB 4.29Å; Y151-N155 VanDerWaalsContact O-CB 3.29Å; Y151-N155 WeakPolarHBondContact O-CB 3.48Å; Y151-N155 PolarHBondContact O-N 3.18Å; Y151-D170 VanDerWaalsContact CE2-OD1 3.24Å; Y151-D170 WeakPolarHBondContact CE2-OD1 3.29Å; Y151-D170 PolarHBondContact OH-OD1 3.32Å; Y151-D170 VanDerWaalsContact OH-OD1 3.06Å; Y151-K179 HydrophobicContact CD2-CB 4.2Å; Y151-K179 HydrophobicContact CD2-CG 4.49Å; Y151-A182 HydrophobicContact CD2-CB 3.85Å; Y151-A182 HydrophobicContact CE2-CB 3.67Å; Y151-R220 PolarHBondContact OH-NH2 3Å; Y151-R220 VanDerWaalsContact OH-NH2 3.13Å
152D98Very high98.2Very high116 Ų11647.7 Ų47.762%0.6227%0.265SS*.Hα-helixtrans-62.7-42.4-177.3-65.7-52.3000111.9S150 A156S150-D152 VanDerWaalsContact C-N 3.32Å; S150-D152 PolarHBondContact O-N 3.44Å; D152-A156 WeakPolarHBondContact O-CB 3.39Å; D152-A156 PolarHBondContact O-N 3.23Å
153T98.6Very high98.2Very high66 Ų6646.8 Ų46.841%0.40527%0.268SS..Hα-helixtrans-65.5-47.2176.3-61.60000111.4C149 S150 Y151 N155 A156 Q157C149-T153 HydrophobicContact CB-CG2 3.93Å; S150-T153 PolarHBondContact O-N 2.66Å; S150-T153 WeakPolarHBondContact OG-CB 3.37Å; S150-T153 PolarHBondContact OG-N 3.35Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.93Å; S150-T153 VanDerWaalsContact OG-OG1 3.05Å; Y151-T153 PolarHBondContact O-N 3.43Å; T153-N155 PolarHBondContact O-N 3.47Å; T153-A156 PolarHBondContact O-N 2.84Å; T153-Q157 HydrophobicContact CG2-CG 4.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.33Å; T153-Q157 VanDerWaalsContact O-CG 3.26Å; T153-Q157 WeakPolarHBondContact O-CG 3.22Å; T153-Q157 PolarHBondContact O-N 3Å
154A98.8Very high98.2Very high0 Ų047.3 Ų47.30%027%0.271CS..Hα-helixtrans-60.5-47.6179.200000111.5L146 S150 Y151 A156 Q157 L158 L177L146-A154 HydrophobicContact CB-CB 4.12Å; S150-A154 WeakPolarHBondContact O-CB 3.35Å; S150-A154 PolarHBondContact O-N 3.01Å; Y151-A154 PolarHBondContact O-N 2.9Å; A154-A156 PolarHBondContact O-N 3.35Å; A154-Q157 PolarHBondContact O-N 2.88Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 VanDerWaalsContact O-CG 3.27Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 3.35Å; A154-L177 HydrophobicContact CB-CD1 4.3Å
155N98.6Very high98.2Very high8 Ų845 Ų454%0.04327%0.274CS..Hα-helixtrans-61.9-45.2178.7-177.1-67.7000111.6Y151 T153 L158 Q159 D170Y151-N155 HydrophobicContact CE2-CB 4.29Å; Y151-N155 VanDerWaalsContact O-CB 3.29Å; Y151-N155 WeakPolarHBondContact O-CB 3.48Å; Y151-N155 PolarHBondContact O-N 3.18Å; T153-N155 PolarHBondContact O-N 3.47Å; N155-L158 PolarHBondContact O-N 3.27Å; N155-Q159 WeakPolarHBondContact O-CG 3.46Å; N155-Q159 PolarHBondContact O-N 2.64Å; N155-Q159 VanDerWaalsContact O-N 3.16Å; N155-Q159 PolarHBondContact OD1-NE2 3.41Å; N155-D170 PolarHBondContact ND2-OD1 2.75Å
156A98.6Very high98.2Very high50 Ų5047.1 Ų47.141%0.41328%0.275SS..Hα-helixtrans-64.2-41.7178.200000112.6D152 T153 A154 Q159D152-A156 WeakPolarHBondContact O-CB 3.39Å; D152-A156 PolarHBondContact O-N 3.23Å; T153-A156 PolarHBondContact O-N 2.84Å; A154-A156 PolarHBondContact O-N 3.35Å; A156-Q159 PolarHBondContact O-N 3.39Å
157Q98.7Very high98.2Very high61 Ų6149.4 Ų49.429%0.28529%0.285SS..Hα-helixtrans-65.2-41177.4-73.1-62.1-56.800112.2W142 L146 T153 A154 Q159 L160W142-Q157 HydrophobicContact CZ2-CB 4.19Å; L146-Q157 HydrophobicContact CD1-CB 4.28Å; L146-Q157 HydrophobicContact CD2-CB 3.95Å; L146-Q157 HydrophobicContact CD2-CG 4.14Å; T153-Q157 HydrophobicContact CG2-CG 4.31Å; T153-Q157 WeakPolarHBondContact O-CB 3.33Å; T153-Q157 VanDerWaalsContact O-CG 3.26Å; T153-Q157 WeakPolarHBondContact O-CG 3.22Å; T153-Q157 PolarHBondContact O-N 3Å; A154-Q157 PolarHBondContact O-N 2.88Å; Q157-Q159 VanDerWaalsContact C-N 3.31Å; Q157-Q159 PolarHBondContact O-N 3.32Å; Q157-L160 WeakPolarHBondContact O-CB 3.23Å; Q157-L160 PolarHBondContact O-N 3.41Å
158L98.9Very high98.2Very high0 Ų046.8 Ų46.80%028%0.275CS..Hα-helixtrans-61.8-39.1176.5-74.8169000112.1L62 L143 L146 A154 N155 L160 L161 V164 A169 V172 L177L62-L158 HydrophobicContact CD1-CD2 4.36Å; L143-L158 HydrophobicContact CD1-CD2 3.72Å; L146-L158 HydrophobicContact CD1-CD2 4.07Å; L146-L158 HydrophobicContact CD1-CG 3.98Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 VanDerWaalsContact O-CG 3.27Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 3.35Å; N155-L158 PolarHBondContact O-N 3.27Å; L158-L160 PolarHBondContact O-N 3.41Å; L158-L160 VanDerWaalsContact O-N 3.12Å; L158-L161 HydrophobicContact CD2-CD1 4.36Å; L158-L161 WeakPolarHBondContact O-CB 3.27Å; L158-L161 PolarHBondContact O-N 2.78Å; L158-V164 HydrophobicContact CB-CG1 4.11Å; L158-V164 VanDerWaalsContact O-CB 3.32Å; L158-V164 WeakPolarHBondContact O-CB 3.38Å; L158-V164 VanDerWaalsContact O-CG1 3.23Å; L158-V164 WeakPolarHBondContact O-CG1 3.37Å; L158-A169 HydrophobicContact CB-CB 3.89Å; L158-A169 HydrophobicContact CD1-CB 4.3Å; L158-V172 HydrophobicContact CD1-CB 3.87Å; L158-V172 HydrophobicContact CD1-CG1 3.81Å; L158-V172 HydrophobicContact CD2-CG1 3.92Å; L158-L177 HydrophobicContact CD1-CD1 3.76Å; L158-L177 HydrophobicContact CG-CD1 4.42Å
159Q98.6Very high98.3Very high70 Ų7041 Ų4133%0.32724%0.236SC..THydrogen-bonded Turntrans-66.9-8.6179.2-74-175.785.500114.4N155 A156 Q157 V164 A169N155-Q159 WeakPolarHBondContact O-CG 3.46Å; N155-Q159 PolarHBondContact O-N 2.64Å; N155-Q159 VanDerWaalsContact O-N 3.16Å; N155-Q159 PolarHBondContact OD1-NE2 3.41Å; A156-Q159 PolarHBondContact O-N 3.39Å; Q157-Q159 VanDerWaalsContact C-N 3.31Å; Q157-Q159 PolarHBondContact O-N 3.32Å; Q159-V164 WeakPolarHBondContact CA-O 3.5Å; Q159-A169 HydrophobicContact CG-CB 3.84Å
160L98.4Very high98.3Very high103 Ų10338.9 Ų38.954%0.53922%0.222SC..THydrogen-bonded Turntrans-76-12.2170.9-57.6177.4000112.6Q157 L158Q157-L160 WeakPolarHBondContact O-CB 3.23Å; Q157-L160 PolarHBondContact O-N 3.41Å; L158-L160 PolarHBondContact O-N 3.41Å; L158-L160 VanDerWaalsContact O-N 3.12Å
161L98.6Very high98.4Very high6 Ų636.1 Ų36.13%0.03120%0.202CC..SBendtrans-87.5138.5-178.7-61.7171.3000111.6L62 L134 V135 W142 L158 G163 V164L62-L161 HydrophobicContact CD1-CD1 3.89Å; L62-L161 HydrophobicContact CD2-CD1 3.63Å; L62-L161 HydrophobicContact CG-CD1 4.41Å; L134-L161 HydrophobicContact CB-CD2 3.87Å; L134-L161 HydrophobicContact CD1-CD2 4.28Å; V135-L161 HydrophobicContact CG2-CD1 4.3Å; V135-L161 HydrophobicContact CG2-CD2 4.25Å; W142-L161 HydrophobicContact CH2-CD1 4.02Å; W142-L161 HydrophobicContact CH2-CD2 4.08Å; W142-L161 HydrophobicContact CH2-CG 4.16Å; W142-L161 HydrophobicContact CZ3-CD1 4.19Å; W142-L161 HydrophobicContact CZ3-CD2 4.23Å; L158-L161 HydrophobicContact CD2-CD1 4.36Å; L158-L161 WeakPolarHBondContact O-CB 3.27Å; L158-L161 PolarHBondContact O-N 2.78Å; L161-G163 PolarHBondContact O-N 3.18Å; L161-V164 HydrophobicContact CB-CB 4.22Å; L161-V164 HydrophobicContact CB-CG2 3.72Å; L161-V164 WeakPolarHBondContact O-CB 3.35Å; L161-V164 PolarHBondContact O-N 2.91Å
162P98.1Very high98.4Very high27 Ų2734.7 Ų34.718%0.17520%0.197CC..THydrogen-bonded Turntrans-53.9127.8177.9-30.737.7000113.7F127 E130 S131 L134 V164F127-P162 HydrophobicContact CD1-CB 3.95Å; E130-P162 HydrophobicContact CB-CB 4.08Å; E130-P162 HydrophobicContact CB-CG 3.76Å; E130-P162 WeakPolarHBondContact OE2-CG 3.24Å; S131-P162 WeakPolarHBondContact OG-CD 3.48Å; S131-P162 PolarHBondContact OG-O 3.45Å; L134-P162 VanDerWaalsContact CD1-CD 3.43Å; L134-P162 HydrophobicContact CD1-CG 3.98Å; P162-V164 VanDerWaalsContact C-N 3.27Å; P162-V164 PolarHBondContact O-N 2.99Å
163G97.7Very high98.4Very high21 Ų2129.1 Ų29.122%0.21617%0.167CC..THydrogen-bonded Turntrans80.51.7-179.100000114.9F127 L161F127-G163 VanDerWaalsContact CD2-CA 3.49Å; F127-G163 VanDerWaalsContact CG-CA 3.5Å; L161-G163 PolarHBondContact O-N 3.18Å
164V98.6Very high98.5Very high10 Ų1026.2 Ų26.26%0.06115%0.149CC..  trans-98.593.7177.9-175.40000110.6L62 I66 L158 Q159 L161 P162 V168 A169L62-V164 HydrophobicContact CD1-CG2 3.76Å; I66-V164 HydrophobicContact CD1-CG2 4.06Å; I66-V164 HydrophobicContact CG1-CG2 3.89Å; L158-V164 HydrophobicContact CB-CG1 4.11Å; L158-V164 VanDerWaalsContact O-CB 3.32Å; L158-V164 WeakPolarHBondContact O-CB 3.38Å; L158-V164 VanDerWaalsContact O-CG1 3.23Å; L158-V164 WeakPolarHBondContact O-CG1 3.37Å; Q159-V164 WeakPolarHBondContact CA-O 3.5Å; L161-V164 HydrophobicContact CB-CB 4.22Å; L161-V164 HydrophobicContact CB-CG2 3.72Å; L161-V164 WeakPolarHBondContact O-CB 3.35Å; L161-V164 PolarHBondContact O-N 2.91Å; P162-V164 VanDerWaalsContact C-N 3.27Å; P162-V164 PolarHBondContact O-N 2.99Å; V164-V168 HydrophobicContact CB-CG1 4.26Å; V164-V168 HydrophobicContact CG1-CB 4.06Å; V164-V168 HydrophobicContact CG1-CG1 3.85Å; V164-V168 HydrophobicContact CG2-CG1 4.04Å; V164-A169 HydrophobicContact CG1-CB 3.98Å
165G97.5Very high98.4Very high37 Ų3727.8 Ų27.838%0.38116%0.157SC..  trans-85.1174.2165.200000112.2K167 V168 A169G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 2.82Å; G165-V168 PolarHBondContact O-N 3.25Å; G165-A169 PolarHBondContact O-N 2.79Å
166R97.2Very high98.4Very high91 Ų9127.5 Ų27.534%0.34316%0.155SC..Hα-helixtrans-46.5-46.9177.3-165-179.5-67.5-113.3-0.3113.6V168 A169 D170 Y212R166-V168 PolarHBondContact O-N 2.02Å; R166-A169 PolarHBondContact O-N 3.18Å; R166-D170 WeakPolarHBondContact O-CB 3.4Å; R166-D170 PolarHBondContact O-N 3.22Å; R166-Y212 HydrophobicContact CB-CE1 4.47Å; R166-Y212 HydrophobicContact CG-CD1 4.01Å; R166-Y212 HydrophobicContact CG-CE1 3.53Å
167K98Very high98.4Very high52 Ų5225.1 Ų25.123%0.22614%0.135CC..Hα-helixtrans-18.9-80.6154.8-165.3-40.7-174.1-1540114.2G165 D170 C171 P184 D186 Y212G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 2.82Å; K167-D170 PolarHBondContact O-N 2.7Å; K167-C171 VanDerWaalsContact CE-SG 3.57Å; K167-C171 PolarHBondContact NZ-SG 2.86Å; K167-C171 PolarHBondContact O-N 3.16Å; K167-P184 HydrophobicContact CG-CB 4.02Å; K167-D186 HydrophobicContact CG-CB 4.42Å; K167-Y212 HydrophobicContact CB-CE2 3.82Å; K167-Y212 WeakPolarHBondContact CB-OH 3.35Å
168V98.6Very high98.3Very high6 Ų625.1 Ų25.14%0.03614%0.138CC..Hα-helixtrans-68.5-41.4-169.9173.10000109.5F65 I66 V164 G165 R166 D170 C171 V172F65-V168 HydrophobicContact CB-CG1 3.82Å; I66-V168 HydrophobicContact CG1-CG1 4.38Å; V164-V168 HydrophobicContact CB-CG1 4.26Å; V164-V168 HydrophobicContact CG1-CB 4.06Å; V164-V168 HydrophobicContact CG1-CG1 3.85Å; V164-V168 HydrophobicContact CG2-CG1 4.04Å; G165-V168 PolarHBondContact O-N 3.25Å; R166-V168 PolarHBondContact O-N 2.02Å; V168-D170 VanDerWaalsContact C-N 3.33Å; V168-D170 PolarHBondContact O-N 2.93Å; V168-C171 WeakPolarHBondContact O-CB 3.38Å; V168-C171 PolarHBondContact O-N 3.19Å; V168-V172 WeakPolarHBondContact O-CG2 3.35Å; V168-V172 PolarHBondContact O-N 2.95Å
169A98.8Very high98.3Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-57.9-44.6176.200000111.9L158 Q159 V164 G165 R166 C171 V172 C173L158-A169 HydrophobicContact CB-CB 3.89Å; L158-A169 HydrophobicContact CD1-CB 4.3Å; Q159-A169 HydrophobicContact CG-CB 3.84Å; V164-A169 HydrophobicContact CG1-CB 3.98Å; G165-A169 PolarHBondContact O-N 2.79Å; R166-A169 PolarHBondContact O-N 3.18Å; A169-C171 PolarHBondContact O-N 2.82Å; A169-V172 PolarHBondContact O-N 3.25Å; A169-C173 WeakPolarHBondContact O-CB 3.1Å; A169-C173 PolarHBondContact O-N 2.87Å; A169-C173 PolarHBondContact O-SG 3.43Å; A169-C173 VanDerWaalsContact O-SG 3.36Å
170D98.8Very high98.3Very high0 Ų023.1 Ų23.10%013%0.131CC..Hα-helixtrans-64.8-39.5176.5-77.4-35.1000112.6Y151 N155 R166 K167 V168 V172 C173 L174 P184 Y212Y151-D170 VanDerWaalsContact CE2-OD1 3.24Å; Y151-D170 WeakPolarHBondContact CE2-OD1 3.29Å; Y151-D170 PolarHBondContact OH-OD1 3.32Å; Y151-D170 VanDerWaalsContact OH-OD1 3.06Å; N155-D170 PolarHBondContact ND2-OD1 2.75Å; R166-D170 WeakPolarHBondContact O-CB 3.4Å; R166-D170 PolarHBondContact O-N 3.22Å; K167-D170 PolarHBondContact O-N 2.7Å; V168-D170 VanDerWaalsContact C-N 3.33Å; V168-D170 PolarHBondContact O-N 2.93Å; D170-V172 PolarHBondContact O-N 2.92Å; D170-C173 PolarHBondContact O-N 3.42Å; D170-L174 WeakPolarHBondContact O-CB 3.45Å; D170-L174 PolarHBondContact O-N 3.46Å; D170-P184 HydrophobicContact CB-CB 3.85Å; D170-P184 HydrophobicContact CB-CG 3.97Å; D170-Y212 VanDerWaalsContact OD2-CE1 3.27Å; D170-Y212 WeakPolarHBondContact OD2-CE1 3.49Å; D170-Y212 PolarHBondContact OD2-OH 2.67Å
171C98.7Very high98.3Very high4 Ų420.7 Ų20.73%0.02712%0.118CC..Hα-helixtrans-58.3-48.1174.1-72.70000111.4F65 K167 V168 A169 L174 M175 P184F65-C171 HydrophobicContact CB-CB 4.21Å; F65-C171 HydrophobicContact CD1-CB 3.44Å; F65-C171 VanDerWaalsContact CD1-CB 3.44Å; F65-C171 HydrophobicContact CD2-CB 3.6Å; F65-C171 HydrophobicContact CE1-CB 3.66Å; F65-C171 HydrophobicContact CE2-CB 3.82Å; F65-C171 HydrophobicContact CG-CB 3.45Å; F65-C171 VanDerWaalsContact CG-CB 3.45Å; F65-C171 HydrophobicContact CZ-CB 3.88Å; K167-C171 VanDerWaalsContact CE-SG 3.57Å; K167-C171 PolarHBondContact NZ-SG 2.86Å; K167-C171 PolarHBondContact O-N 3.16Å; V168-C171 WeakPolarHBondContact O-CB 3.38Å; V168-C171 PolarHBondContact O-N 3.19Å; A169-C171 PolarHBondContact O-N 2.82Å; C171-L174 PolarHBondContact O-N 3.05Å; C171-M175 HydrophobicContact CB-CE 3.57Å; C171-M175 WeakPolarHBondContact O-CB 3.36Å; C171-M175 VanDerWaalsContact O-CE 3.32Å; C171-M175 WeakPolarHBondContact O-CE 3.15Å; C171-M175 PolarHBondContact O-N 3.16Å; C171-P184 HydrophobicContact CB-CB 4.48Å; C171-P184 HydrophobicContact CB-CG 4.46Å; C171-P184 WeakPolarHBondContact SG-CB 3.47Å
172V98.8Very high98.3Very high0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-66.4-42.2180178.20000110.8L62 F65 L158 V168 A169 D170 L174 S176 L177L62-V172 HydrophobicContact CB-CG2 4.37Å; L62-V172 HydrophobicContact CD1-CG2 4.35Å; F65-V172 HydrophobicContact CB-CG2 4.26Å; F65-V172 HydrophobicContact CD2-CG2 4.17Å; L158-V172 HydrophobicContact CD1-CB 3.87Å; L158-V172 HydrophobicContact CD1-CG1 3.81Å; L158-V172 HydrophobicContact CD2-CG1 3.92Å; V168-V172 WeakPolarHBondContact O-CG2 3.35Å; V168-V172 PolarHBondContact O-N 2.95Å; A169-V172 PolarHBondContact O-N 3.25Å; D170-V172 PolarHBondContact O-N 2.92Å; V172-L174 PolarHBondContact O-N 3.33Å; V172-S176 VanDerWaalsContact CG1-OG 3.3Å; V172-S176 WeakPolarHBondContact CG1-OG 3.37Å; V172-S176 WeakPolarHBondContact O-CA 3.39Å; V172-S176 PolarHBondContact O-N 2.86Å; V172-S176 PolarHBondContact O-OG 3.36Å; V172-L177 HydrophobicContact CG1-CD1 4.08Å; V172-L177 HydrophobicContact CG1-CG 4.26Å; V172-L177 PolarHBondContact O-N 3.29Å
173C98.9Very high98.3Very high0 Ų019.1 Ų19.10%011%0.108CC..Hα-helixtrans-55.1-49.8174.2-81.80000112.2A169 D170 L177 D178 K179 A182A169-C173 WeakPolarHBondContact O-CB 3.1Å; A169-C173 PolarHBondContact O-N 2.87Å; A169-C173 PolarHBondContact O-SG 3.43Å; A169-C173 VanDerWaalsContact O-SG 3.36Å; D170-C173 PolarHBondContact O-N 3.42Å; C173-L177 CarbonylContact O-C 3.5Å; C173-L177 PolarHBondContact O-N 2.98Å; C173-D178 PolarHBondContact O-N 3.4Å; C173-K179 HydrophobicContact CB-CB 3.92Å; C173-K179 HydrophobicContact CB-CG 3.85Å; C173-K179 WeakPolarHBondContact O-CB 3.05Å; C173-K179 PolarHBondContact O-N 2.95Å; C173-K179 VanDerWaalsContact O-N 3.1Å; C173-A182 HydrophobicContact CB-CB 3.7Å
174L98.8Very high98.3Very high4 Ų418.4 Ų18.42%0.02110%0.1CC..Hα-helixtrans-69.5-50.2-177.6-179.356.6000112.3V53 D170 C171 V172 A182 P184 G228V53-L174 HydrophobicContact CG1-CD1 4.14Å; V53-L174 HydrophobicContact CG1-CG 4Å; V53-L174 VanDerWaalsContact CG1-O 3.27Å; V53-L174 WeakPolarHBondContact CG1-O 3.45Å; V53-L174 HydrophobicContact CG2-CD1 4.22Å; V53-L174 HydrophobicContact CG2-CG 4.36Å; D170-L174 WeakPolarHBondContact O-CB 3.45Å; D170-L174 PolarHBondContact O-N 3.46Å; C171-L174 PolarHBondContact O-N 3.05Å; V172-L174 PolarHBondContact O-N 3.33Å; L174-A182 HydrophobicContact CB-CB 4.04Å; L174-P184 HydrophobicContact CD2-CG 4.1Å; L174-G228 WeakPolarHBondContact CD2-O 3.37Å
175M98.5Very high98.3Very high34 Ų3418.1 Ų18.117%0.16710%0.098CC..Hα-helixtrans-96.31.4-167.7-72170.4-80.900114.2V53 L54 Q56 F65 C171V53-M175 HydrophobicContact CG1-CB 4.49Å; V53-M175 HydrophobicContact CG1-CG 3.9Å; L54-M175 CarbonylContact O-C 3.16Å; Q56-M175 WeakPolarHBondContact CB-O 3.49Å; Q56-M175 PolarHBondContact N-O 2.78Å; F65-M175 HydrophobicContact CD2-CE 4.5Å; F65-M175 HydrophobicContact CE1-CE 3.73Å; F65-M175 HydrophobicContact CE1-SD 4.49Å; F65-M175 HydrophobicContact CE2-CB 4.3Å; F65-M175 HydrophobicContact CE2-CE 3.48Å; F65-M175 VanDerWaalsContact CE2-CE 3.48Å; F65-M175 HydrophobicContact CE2-SD 3.95Å; F65-M175 HydrophobicContact CZ-CE 3.04Å; F65-M175 HydrophobicContact CZ-SD 3.47Å; F65-M175 WeakPolarHBondContact CZ-SD 3.47Å; C171-M175 HydrophobicContact CB-CE 3.57Å; C171-M175 WeakPolarHBondContact O-CB 3.36Å; C171-M175 VanDerWaalsContact O-CE 3.32Å; C171-M175 WeakPolarHBondContact O-CE 3.15Å; C171-M175 PolarHBondContact O-N 3.16Å
176S97.8Very high98.2Very high1 Ų118 Ų181%0.0079%0.089CC..Hα-helixtrans-149.6-15.3175.169.90000116.4Q56 C61 R147 V172Q56-S176 WeakPolarHBondContact O-CB 3.36Å; C61-S176 VanDerWaalsContact SG-CB 3.58Å; C61-S176 PolarHBondContact SG-OG 2.99Å; R147-S176 PolarHBondContact NE-O 3.24Å; R147-S176 PolarHBondContact NH1-O 3.32Å; R147-S176 PolarHBondContact NH2-O 3.01Å; V172-S176 VanDerWaalsContact CG1-OG 3.3Å; V172-S176 WeakPolarHBondContact CG1-OG 3.37Å; V172-S176 WeakPolarHBondContact O-CA 3.39Å; V172-S176 PolarHBondContact O-N 2.86Å; V172-S176 PolarHBondContact O-OG 3.36Å
177L98.3Very high98Very high0 Ų018.4 Ų18.40%010%0.102CC..SBendtrans-115.119.8-175-53.7176.2000114.1P58 L146 R147 A154 L158 V172 C173 K179P58-L177 HydrophobicContact CB-CD2 4.05Å; P58-L177 HydrophobicContact CG-CD2 4.03Å; L146-L177 HydrophobicContact CB-CD1 3.77Å; L146-L177 HydrophobicContact CB-CD2 4.2Å; L146-L177 HydrophobicContact CD1-CD1 4.13Å; R147-L177 HydrophobicContact CG-CB 4.32Å; R147-L177 HydrophobicContact CG-CD2 4.03Å; A154-L177 HydrophobicContact CB-CD1 4.3Å; L158-L177 HydrophobicContact CD1-CD1 3.76Å; L158-L177 HydrophobicContact CG-CD1 4.42Å; V172-L177 HydrophobicContact CG1-CD1 4.08Å; V172-L177 HydrophobicContact CG1-CG 4.26Å; V172-L177 PolarHBondContact O-N 3.29Å; C173-L177 CarbonylContact O-C 3.5Å; C173-L177 PolarHBondContact O-N 2.98Å; L177-K179 HydrophobicContact CB-CG 4.38Å; L177-K179 WeakPolarHBondContact O-CD 3.42Å; L177-K179 WeakPolarHBondContact O-CE 3.47Å; L177-K179 PolarHBondContact O-N 3.39Å; L177-K179 PolarHBondContact O-NZ 3.3Å
178D97.7Very high97.9Very high62 Ų6218.9 Ų18.933%0.33211%0.105SC..  trans57.827.9177.1-54.3-49.2000114.2R55 R147 C173 G180R55-D178 IonicContact CZ-OD1 3.61Å; R55-D178 IonicContact NE-OD1 3.18Å; R55-D178 PolarHBondContact NE-OD1 2.67Å; R55-D178 IonicContact NE-OD2 3.38Å; R55-D178 IonicContact NH2-OD1 2.87Å; R55-D178 PolarHBondContact NH2-OD1 3.4Å; R147-D178 IonicContact CZ-OD2 3.26Å; R147-D178 IonicContact NH1-OD1 2.85Å; R147-D178 PolarHBondContact NH1-OD1 2.97Å; R147-D178 IonicContact NH1-OD2 3.98Å; R147-D178 PolarHBondContact NH1-OD2 3.01Å; C173-D178 PolarHBondContact O-N 3.4Å; D178-G180 PolarHBondContact O-N 3.42Å
179K98.5Very high97.8Very high17 Ų1718.7 Ų18.77%0.07410%0.103CC..  trans-92.377.5174.5-47.4-50.3173.8-156.70109.4L146 R147 C149 Y151 C173 L177 D181 A182L146-K179 WeakPolarHBondContact O-CE 3.25Å; L146-K179 PolarHBondContact O-NZ 3.5Å; L146-K179 VanDerWaalsContact O-NZ 3.16Å; R147-K179 PolarHBondContact O-NZ 3.37Å; C149-K179 PolarHBondContact O-NZ 2.69Å; Y151-K179 HydrophobicContact CD2-CB 4.2Å; Y151-K179 HydrophobicContact CD2-CG 4.49Å; C173-K179 HydrophobicContact CB-CB 3.92Å; C173-K179 HydrophobicContact CB-CG 3.85Å; C173-K179 WeakPolarHBondContact O-CB 3.05Å; C173-K179 PolarHBondContact O-N 2.95Å; C173-K179 VanDerWaalsContact O-N 3.1Å; L177-K179 HydrophobicContact CB-CG 4.38Å; L177-K179 WeakPolarHBondContact O-CD 3.42Å; L177-K179 WeakPolarHBondContact O-CE 3.47Å; L177-K179 PolarHBondContact O-N 3.39Å; L177-K179 PolarHBondContact O-NZ 3.3Å; K179-D181 PolarHBondContact O-N 3.49Å; K179-A182 HydrophobicContact CB-CB 3.99Å; K179-A182 WeakPolarHBondContact O-CB 3.3Å; K179-A182 PolarHBondContact O-N 3.41Å
180G97.8Very high97.8Very high11 Ų1119.5 Ų19.511%0.11311%0.106CC..THydrogen-bonded Turntrans-59-14.1-17600000115D178 R225 Y226 A227 G228D178-G180 PolarHBondContact O-N 3.42Å; G180-R225 CarbonylContact C-O 3.46Å; G180-Y226 CarbonylContact O-C 3.37Å; G180-Y226 VanDerWaalsContact O-CA 3.32Å; G180-Y226 WeakPolarHBondContact O-CA 3.38Å; G180-A227 PolarHBondContact O-N 3.4Å; G180-G228 WeakPolarHBondContact O-CA 3.3Å; G180-G228 PolarHBondContact O-N 3.16Å
181D97.8Very high97.6Very high51 Ų5123.1 Ų23.127%0.27312%0.123SC..THydrogen-bonded Turntrans-105.93.9179.467.1-27000113.7K179 R220 R225K179-D181 PolarHBondContact O-N 3.49Å; D181-R220 HydrophobicContact CB-CG 4.11Å; D181-R220 VanDerWaalsContact O-CD 3.32Å; D181-R220 WeakPolarHBondContact O-CD 3.29Å; D181-R220 WeakPolarHBondContact O-CG 3.42Å; D181-R220 PolarHBondContact O-NE 3.11Å; D181-R225 PolarHBondContact N-O 2.72Å
182A98.7Very high97.6Very high0 Ų023.4 Ų23.40%013%0.125CC..  trans-70.2133.9171.400000110.5Y151 C173 L174 K179 P184 G228Y151-A182 HydrophobicContact CD2-CB 3.85Å; Y151-A182 HydrophobicContact CE2-CB 3.67Å; C173-A182 HydrophobicContact CB-CB 3.7Å; L174-A182 HydrophobicContact CB-CB 4.04Å; K179-A182 HydrophobicContact CB-CB 3.99Å; K179-A182 WeakPolarHBondContact O-CB 3.3Å; K179-A182 PolarHBondContact O-N 3.41Å; A182-P184 WeakPolarHBondContact O-CD 3.42Å; A182-G228 VanDerWaalsContact O-CA 3.31Å; A182-G228 WeakPolarHBondContact O-CA 3.42Å
183I98.7Very high97.5Very high0 Ų023.4 Ų23.40%013%0.125CC..  trans-122.992.2-173.5-50.6-60.6000109.4V185 Y212 Y219 R220 A227 H231I183-V185 HydrophobicContact CG2-CG2 4.1Å; I183-V185 PolarHBondContact O-N 3.42Å; I183-V185 VanDerWaalsContact O-N 3.16Å; I183-Y212 PolarHBondContact O-OH 2.79Å; I183-Y219 HydrophobicContact CD1-CG 4.45Å; I183-Y219 HydrophobicContact CG2-CD2 3.97Å; I183-Y219 HydrophobicContact CG2-CG 4.16Å; I183-R220 HydrophobicContact CG1-CG 4.22Å; I183-A227 HydrophobicContact CD1-CB 3.88Å; I183-H231 HydrophobicContact CD1-CB 4.25Å
184P98.5Very high97.4Very high6 Ų624.8 Ų24.84%0.03913%0.131CC..  trans-71.4106.9175.9-4.717.1000110.8K167 D170 C171 L174 A182 D186 H231K167-P184 HydrophobicContact CG-CB 4.02Å; D170-P184 HydrophobicContact CB-CB 3.85Å; D170-P184 HydrophobicContact CB-CG 3.97Å; C171-P184 HydrophobicContact CB-CB 4.48Å; C171-P184 HydrophobicContact CB-CG 4.46Å; C171-P184 WeakPolarHBondContact SG-CB 3.47Å; L174-P184 HydrophobicContact CD2-CG 4.1Å; A182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-D186 PolarHBondContact O-N 3.41Å; P184-H231 PolarHBondContact O-NE2 3.13Å; P184-H231 VanDerWaalsContact O-NE2 3.15Å
185V97.9Very high97.3Very high4 Ų429.8 Ų29.82%0.02415%0.154CC..  trans-92.9103.2-179.7-170.20000110.3I183 V189 W190 L207 Y212 I215I183-V185 HydrophobicContact CG2-CG2 4.1Å; I183-V185 PolarHBondContact O-N 3.42Å; I183-V185 VanDerWaalsContact O-N 3.16Å; V185-V189 HydrophobicContact CB-CG1 4.47Å; V185-V189 HydrophobicContact CG1-CB 4.26Å; V185-V189 HydrophobicContact CG1-CG1 4.08Å; V185-V189 HydrophobicContact CG2-CG1 4.44Å; V185-W190 HydrophobicContact CG1-CB 4.45Å; V185-L207 HydrophobicContact CB-CD2 4.23Å; V185-L207 HydrophobicContact CG1-CD1 4.45Å; V185-L207 HydrophobicContact CG1-CD2 3.74Å; V185-Y212 HydrophobicContact CB-CD2 3.82Å; V185-Y212 HydrophobicContact CB-CE2 3.5Å; V185-Y212 HydrophobicContact CB-CG 4.47Å; V185-Y212 HydrophobicContact CG2-CD2 4.32Å; V185-Y212 HydrophobicContact CG2-CE1 4.23Å; V185-Y212 HydrophobicContact CG2-CE2 4.05Å; V185-Y212 PolarHBondContact N-OH 2.92Å; V185-Y212 VanDerWaalsContact N-OH 3.12Å; V185-Y212 WeakPolarHBondContact O-CE2 3.36Å; V185-I215 HydrophobicContact CG1-CD1 3.88Å; V185-I215 HydrophobicContact CG1-CG2 4.21Å; V185-I215 HydrophobicContact CG2-CB 4.16Å; V185-I215 HydrophobicContact CG2-CG2 3.69Å
186D95.5Very high97.2Very high34 Ų3432.6 Ų32.618%0.18217%0.166CC..  trans-102.7-168.6170.674.87.5000112K167 P184 H188 V189 W190 F235K167-D186 HydrophobicContact CG-CB 4.42Å; P184-D186 PolarHBondContact O-N 3.41Å; D186-H188 VanDerWaalsContact C-N 3.31Å; D186-H188 PolarHBondContact O-N 3.16Å; D186-H188 WeakPolarHBondContact OD1-CA 3.17Å; D186-H188 WeakPolarHBondContact OD1-CB 3.39Å; D186-H188 PolarHBondContact OD1-N 2.9Å; D186-H188 IonicContact OD2-CD2 3.99Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.27Å; D186-V189 PolarHBondContact OD1-N 3.05Å; D186-W190 WeakPolarHBondContact O-CB 3.17Å; D186-W190 PolarHBondContact O-N 3.33Å; D186-F235 VanDerWaalsContact OD2-CE2 3.27Å; D186-F235 WeakPolarHBondContact OD2-CE2 3.48Å
187T93.7Very high97.2Very high100 Ų10033.8 Ų33.861%0.61317%0.171SC*.Hα-helixtrans-62.9-35.1179.449.10000113.1Q191T187-Q191 WeakPolarHBondContact O-CG 3.45Å; T187-Q191 PolarHBondContact O-N 3.26Å; T187-Q191 VanDerWaalsContact O-N 3.08Å
188H95.3Very high97.1Very high63 Ų6335 Ų3529%0.29218%0.177SC..Hα-helixtrans-71.5-50.1179.3-63.1-73.2000110.5D186 W190 Q191 I192 F235D186-H188 VanDerWaalsContact C-N 3.31Å; D186-H188 PolarHBondContact O-N 3.16Å; D186-H188 WeakPolarHBondContact OD1-CA 3.17Å; D186-H188 WeakPolarHBondContact OD1-CB 3.39Å; D186-H188 PolarHBondContact OD1-N 2.9Å; D186-H188 IonicContact OD2-CD2 3.99Å; H188-W190 PolarHBondContact O-N 3.4Å; H188-Q191 PolarHBondContact O-N 3.45Å; H188-Q191 VanDerWaalsContact O-N 3.09Å; H188-I192 VanDerWaalsContact O-CG1 3.32Å; H188-I192 WeakPolarHBondContact O-CG1 3.22Å; H188-I192 PolarHBondContact O-N 3.03Å; H188-F235 HydrophobicContact CB-CD2 4.1Å; H188-F235 HydrophobicContact CB-CE2 4.08Å; H188-F235 AromaticContact CD2-CE2 3.99Å
189V97.4Very high97Very high1 Ų135.1 Ų35.11%0.00618%0.181CC..Hα-helixtrans-60.9-35.7177-1780000110.5V185 D186 T193 Y219 H231 F235V185-V189 HydrophobicContact CB-CG1 4.47Å; V185-V189 HydrophobicContact CG1-CB 4.26Å; V185-V189 HydrophobicContact CG1-CG1 4.08Å; V185-V189 HydrophobicContact CG2-CG1 4.44Å; D186-V189 WeakPolarHBondContact OD1-CG2 3.27Å; D186-V189 PolarHBondContact OD1-N 3.05Å; V189-T193 WeakPolarHBondContact O-CB 3.42Å; V189-T193 PolarHBondContact O-N 3.32Å; V189-T193 PolarHBondContact O-OG1 2.91Å; V189-Y219 HydrophobicContact CG1-CE2 4.26Å; V189-H231 WeakPolarHBondContact CG2-NE2 3.35Å; V189-F235 HydrophobicContact CG2-CD2 3.98Å
190W96.9Very high96.9Very high17 Ų1739.7 Ų39.76%0.06420%0.203CC..Hα-helixtrans-61.3-47.6173.8179.5-138.8000112.4V185 D186 H188 T193 K194 L201 K204 L207 V211 I215V185-W190 HydrophobicContact CG1-CB 4.45Å; D186-W190 WeakPolarHBondContact O-CB 3.17Å; D186-W190 PolarHBondContact O-N 3.33Å; H188-W190 PolarHBondContact O-N 3.4Å; W190-T193 PolarHBondContact O-N 3.26Å; W190-K194 HydrophobicContact CD2-CD 4.1Å; W190-K194 HydrophobicContact CD2-CG 4.11Å; W190-K194 HydrophobicContact CE3-CD 4.44Å; W190-K194 HydrophobicContact CE3-CG 3.98Å; W190-K194 HydrophobicContact CH2-CD 4.17Å; W190-K194 HydrophobicContact CH2-CG 4.04Å; W190-K194 HydrophobicContact CZ2-CD 3.72Å; W190-K194 HydrophobicContact CZ2-CG 4.09Å; W190-K194 HydrophobicContact CZ3-CD 4.45Å; W190-K194 HydrophobicContact CZ3-CG 3.92Å; W190-K194 WeakPolarHBondContact O-CG 3.41Å; W190-K194 PolarHBondContact O-N 3.12Å; W190-K194 VanDerWaalsContact O-N 3.09Å; W190-L201 HydrophobicContact CH2-CB 3.55Å; W190-L201 HydrophobicContact CH2-CD1 3.74Å; W190-L201 HydrophobicContact CH2-CD2 4.42Å; W190-L201 HydrophobicContact CH2-CG 4.1Å; W190-L201 HydrophobicContact CZ2-CB 4.47Å; W190-L201 HydrophobicContact CZ3-CB 3.89Å; W190-L201 HydrophobicContact CZ3-CD1 3.44Å; W190-L201 VanDerWaalsContact CZ3-CD1 3.44Å; W190-L201 HydrophobicContact CZ3-CG 4.24Å; W190-K204 HydrophobicContact CZ2-CB 4.2Å; W190-L207 HydrophobicContact CD2-CD1 4.32Å; W190-L207 HydrophobicContact CE3-CD1 4.17Å; W190-L207 HydrophobicContact CZ3-CD1 4.31Å; W190-V211 HydrophobicContact CH2-CG1 3.57Å; W190-V211 HydrophobicContact CZ3-CG1 3.8Å; W190-I215 HydrophobicContact CE3-CD1 3.44Å; W190-I215 VanDerWaalsContact CE3-CD1 3.44Å; W190-I215 HydrophobicContact CZ3-CD1 3.43Å; W190-I215 VanDerWaalsContact CZ3-CD1 3.43Å; W190-I215 HydrophobicContact CZ3-CG1 4.29Å
191Q96.1Very high96.8Very high76 Ų7639.6 Ų39.636%0.35520%0.199SC..Hα-helixtrans-64.2-48.7176.4-62.2-43.7-43.100112.1T187 H188 T193 K194 E195T187-Q191 WeakPolarHBondContact O-CG 3.45Å; T187-Q191 PolarHBondContact O-N 3.26Å; T187-Q191 VanDerWaalsContact O-N 3.08Å; H188-Q191 PolarHBondContact O-N 3.45Å; H188-Q191 VanDerWaalsContact O-N 3.09Å; Q191-T193 PolarHBondContact O-N 3Å; Q191-T193 VanDerWaalsContact O-N 3.16Å; Q191-K194 PolarHBondContact O-N 3.13Å; Q191-E195 WeakPolarHBondContact O-CB 3.32Å; Q191-E195 WeakPolarHBondContact O-CG 3.49Å; Q191-E195 PolarHBondContact O-N 3.16Å
192I97.3Very high96.6Very high11 Ų1143.9 Ų43.96%0.05621%0.212CC..Hα-helixtrans-51.1-45.3177-64.4166.4000109.9H188 E195 H196 Y197 L234 A238H188-I192 VanDerWaalsContact O-CG1 3.32Å; H188-I192 WeakPolarHBondContact O-CG1 3.22Å; H188-I192 PolarHBondContact O-N 3.03Å; I192-E195 PolarHBondContact O-N 3.44Å; I192-H196 WeakPolarHBondContact O-CB 3.36Å; I192-H196 PolarHBondContact O-N 3.48Å; I192-Y197 HydrophobicContact CG2-CD2 4.45Å; I192-Y197 HydrophobicContact CG2-CE2 3.95Å; I192-L234 HydrophobicContact CD1-CB 4.44Å; I192-A238 HydrophobicContact CD1-CB 3.65Å; I192-A238 HydrophobicContact CG1-CB 4.02Å
193T98Very high96.3Very high0 Ų050.6 Ų50.60%025%0.248CC..Iπ-helixtrans-66.6-43.2-177.9-52.40000112.1V189 W190 Q191 E195 Y197 M198 I215 Y219V189-T193 WeakPolarHBondContact O-CB 3.42Å; V189-T193 PolarHBondContact O-N 3.32Å; V189-T193 PolarHBondContact O-OG1 2.91Å; W190-T193 PolarHBondContact O-N 3.26Å; Q191-T193 PolarHBondContact O-N 3Å; Q191-T193 VanDerWaalsContact O-N 3.16Å; T193-E195 VanDerWaalsContact C-N 3.29Å; T193-E195 PolarHBondContact O-N 3.13Å; T193-Y197 PolarHBondContact O-N 2.97Å; T193-Y197 VanDerWaalsContact O-N 3.07Å; T193-M198 HydrophobicContact CG2-CB 4.07Å; T193-M198 HydrophobicContact CG2-CG 3.89Å; T193-M198 HydrophobicContact CG2-SD 3.88Å; T193-M198 PolarHBondContact O-N 2.84Å; T193-I215 HydrophobicContact CG2-CG1 4.06Å; T193-I215 HydrophobicContact CG2-CG2 4.11Å; T193-Y219 WeakPolarHBondContact OG1-CE2 3.48Å; T193-Y219 PolarHBondContact OG1-OH 3.38Å; T193-Y219 VanDerWaalsContact OG1-OH 3.09Å
194K96.8Very high96Very high29 Ų2955.2 Ų55.213%0.12627%0.268CS..Iπ-helixtrans-65.6-32175.5-70.4-171.9-64.2153.70113.1W190 Q191 P199 L201 R202W190-K194 HydrophobicContact CD2-CD 4.1Å; W190-K194 HydrophobicContact CD2-CG 4.11Å; W190-K194 HydrophobicContact CE3-CD 4.44Å; W190-K194 HydrophobicContact CE3-CG 3.98Å; W190-K194 HydrophobicContact CH2-CD 4.17Å; W190-K194 HydrophobicContact CH2-CG 4.04Å; W190-K194 HydrophobicContact CZ2-CD 3.72Å; W190-K194 HydrophobicContact CZ2-CG 4.09Å; W190-K194 HydrophobicContact CZ3-CD 4.45Å; W190-K194 HydrophobicContact CZ3-CG 3.92Å; W190-K194 WeakPolarHBondContact O-CG 3.41Å; W190-K194 PolarHBondContact O-N 3.12Å; W190-K194 VanDerWaalsContact O-N 3.09Å; Q191-K194 PolarHBondContact O-N 3.13Å; K194-P199 WeakPolarHBondContact O-CA 3.28Å; K194-L201 WeakPolarHBondContact CD-O 3.23Å; K194-L201 HydrophobicContact CG-CB 3.91Å; K194-R202 HydrophobicContact CB-CG 4.14Å; K194-R202 PolarHBondContact O-NE 3.23Å
195E95.8Very high95.5Very high109 Ų10962.3 Ų62.351%0.50930%0.301SS..Iπ-helixtrans-79.6-49-176.1-74170.5-171.100111.3Q191 I192 T193 R202Q191-E195 WeakPolarHBondContact O-CB 3.32Å; Q191-E195 WeakPolarHBondContact O-CG 3.49Å; Q191-E195 PolarHBondContact O-N 3.16Å; I192-E195 PolarHBondContact O-N 3.44Å; T193-E195 VanDerWaalsContact C-N 3.29Å; T193-E195 PolarHBondContact O-N 3.13Å; E195-R202 PolarHBondContact O-NH2 3.2Å
196H96.7Very high95.2Very high92 Ų9269.5 Ų69.543%0.42633%0.333SS..Iπ-helixtrans-106.4-22.5-166.8-63.9-70.6000115.3H40 I192H40-H196 HydrophobicContact CB-CB 4.48Å; H40-H196 AromaticContact CD2-CD2 3.9Å; H40-H196 AromaticContact CD2-CG 3.73Å; H40-H196 AromaticContact CE1-CD2 3.5Å; H40-H196 AromaticContact CE1-CE1 3.35Å; H40-H196 PolarHBondContact CE1-CE1 2.83Å; H40-H196 AromaticContact CE1-CG 3.69Å; H40-H196 AromaticContact CE1-ND1 3.6Å; H40-H196 AromaticContact CE1-NE2 3.27Å; H40-H196 PolarHBondContact CE1-NE2 3.28Å; H40-H196 VanDerWaalsContact CE1-NE2 3.27Å; H40-H196 AromaticContact CG-CG 3.78Å; H40-H196 AromaticContact CG-ND1 3.8Å; H40-H196 AromaticContact ND1-CE1 3.53Å; H40-H196 AromaticContact ND1-CG 3.76Å; H40-H196 AromaticContact ND1-ND1 3.43Å; H40-H196 PolarHBondContact ND1-ND1 2.84Å; H40-H196 AromaticContact ND1-NE2 3.9Å; H40-H196 AromaticContact NE2-CD2 3.41Å; H40-H196 PolarHBondContact NE2-CD2 2.98Å; H40-H196 AromaticContact NE2-CG 3.71Å; H40-H196 AromaticContact NE2-NE2 3.65Å; I192-H196 WeakPolarHBondContact O-CB 3.36Å; I192-H196 PolarHBondContact O-N 3.48Å
197Y97.6Very high95.1Very high27 Ų2770.5 Ų70.511%0.10634%0.339CS..Iπ-helixtrans-125.2-39.1-165.6-60.8-46.3000115D38 H40 I192 T193 F218 Y219 L234D38-Y197 VanDerWaalsContact OD1-CE1 3.3Å; D38-Y197 WeakPolarHBondContact OD1-CE1 3.25Å; D38-Y197 WeakPolarHBondContact OD2-CE1 3.48Å; D38-Y197 PolarHBondContact OD2-OH 2.77Å; H40-Y197 HydrophobicContact CB-CE1 4.24Å; H40-Y197 AromaticContact CD2-CZ 3.9Å; H40-Y197 PolarHBondContact CD2-OH 3.49Å; I192-Y197 HydrophobicContact CG2-CD2 4.45Å; I192-Y197 HydrophobicContact CG2-CE2 3.95Å; T193-Y197 PolarHBondContact O-N 2.97Å; T193-Y197 VanDerWaalsContact O-N 3.07Å; Y197-F218 VanDerWaalsContact CB-CZ 3.48Å; Y197-F218 AromaticContact CD1-CE1 3.84Å; Y197-F218 HydrophobicContact CD1-CE1 3.84Å; Y197-F218 AromaticContact CD1-CZ 3.56Å; Y197-F218 HydrophobicContact CD1-CZ 3.56Å; Y197-F218 AromaticContact CD2-CE1 3.68Å; Y197-F218 HydrophobicContact CD2-CE1 3.68Å; Y197-F218 HydrophobicContact CD2-CZ 4.24Å; Y197-F218 HydrophobicContact CE1-CE1 4.44Å; Y197-F218 HydrophobicContact CE1-CZ 4.33Å; Y197-F218 HydrophobicContact CE2-CE1 4.31Å; Y197-F218 HydrophobicContact CG-CD1 4.49Å; Y197-F218 AromaticContact CG-CE1 3.41Å; Y197-F218 HydrophobicContact CG-CE1 3.41Å; Y197-F218 VanDerWaalsContact CG-CE1 3.41Å; Y197-F218 AromaticContact CG-CZ 3.5Å; Y197-F218 HydrophobicContact CG-CZ 3.5Å; Y197-F218 VanDerWaalsContact CG-CZ 3.5Å; Y197-Y219 HydrophobicContact CD2-CE1 4.48Å; Y197-Y219 AromaticContact CD2-CZ 3.98Å; Y197-Y219 AromaticContact CE2-CE1 3.97Å; Y197-Y219 HydrophobicContact CE2-CE1 3.97Å; Y197-Y219 AromaticContact CE2-CZ 3.83Å; Y197-Y219 WeakPolarHBondContact CE2-OH 3.4Å; Y197-L234 HydrophobicContact CE2-CD1 4.13Å; Y197-L234 WeakPolarHBondContact OH-CD1 3.21Å
198M97.1Very high95.2Very high24 Ų2468 Ų6812%0.11833%0.325CS..  trans-137.468.6-172.5-59.8-174.673.800109.9T193 E200 L201 I215 F218T193-M198 HydrophobicContact CG2-CB 4.07Å; T193-M198 HydrophobicContact CG2-CG 3.89Å; T193-M198 HydrophobicContact CG2-SD 3.88Å; T193-M198 PolarHBondContact O-N 2.84Å; M198-E200 VanDerWaalsContact CA-OE2 3.26Å; M198-E200 WeakPolarHBondContact CA-OE2 3.34Å; M198-E200 WeakPolarHBondContact CB-OE1 3.34Å; M198-E200 VanDerWaalsContact CE-OE1 3.31Å; M198-E200 WeakPolarHBondContact CE-OE1 3.41Å; M198-E200 PolarHBondContact O-N 3.12Å; M198-L201 HydrophobicContact CB-CB 4.43Å; M198-L201 HydrophobicContact CB-CD1 3.61Å; M198-L201 HydrophobicContact CB-CG 3.81Å; M198-L201 HydrophobicContact CE-CD1 3.71Å; M198-L201 HydrophobicContact CE-CG 4.23Å; M198-L201 HydrophobicContact CG-CD1 4.26Å; M198-L201 VanDerWaalsContact O-CB 3.26Å; M198-L201 WeakPolarHBondContact O-CB 3.5Å; M198-L201 PolarHBondContact O-N 3.34Å; M198-L201 HydrophobicContact SD-CD1 3.68Å; M198-I215 HydrophobicContact SD-CG1 4.39Å; M198-F218 HydrophobicContact SD-CB 4.39Å
199P95Very high95.2Very high65 Ų6569.5 Ų69.542%0.42234%0.341SS..G310 helixtrans-60.6-23.8-177.626.1-35.4000113.9K194 L201 R202K194-P199 WeakPolarHBondContact O-CA 3.28Å; P199-L201 PolarHBondContact O-N 3.27Å; P199-L201 VanDerWaalsContact O-N 3.13Å; P199-R202 VanDerWaalsContact O-CB 3.25Å; P199-R202 WeakPolarHBondContact O-CB 3.43Å; P199-R202 WeakPolarHBondContact O-CD 3.37Å; P199-R202 WeakPolarHBondContact O-CG 2.93Å; P199-R202 PolarHBondContact O-N 3.16Å
200E95.9Very high95.1Very high114 Ų11474.9 Ų74.953%0.53337%0.373SS..G310 helixtrans-62.3-15.2172.471.6-79.3-174.200113.4M198 R202M198-E200 VanDerWaalsContact CA-OE2 3.26Å; M198-E200 WeakPolarHBondContact CA-OE2 3.34Å; M198-E200 WeakPolarHBondContact CB-OE1 3.34Å; M198-E200 VanDerWaalsContact CE-OE1 3.31Å; M198-E200 WeakPolarHBondContact CE-OE1 3.41Å; M198-E200 PolarHBondContact O-N 3.12Å; E200-R202 VanDerWaalsContact C-N 3.34Å
201L96Very high95.1Very high8 Ų874.3 Ų74.34%0.04237%0.372CS..G310 helixtrans-85.9-4.7175.9-62.2-173.7000113.3W190 K194 M198 P199 D203 K204 V211 I215W190-L201 HydrophobicContact CH2-CB 3.55Å; W190-L201 HydrophobicContact CH2-CD1 3.74Å; W190-L201 HydrophobicContact CH2-CD2 4.42Å; W190-L201 HydrophobicContact CH2-CG 4.1Å; W190-L201 HydrophobicContact CZ2-CB 4.47Å; W190-L201 HydrophobicContact CZ3-CB 3.89Å; W190-L201 HydrophobicContact CZ3-CD1 3.44Å; W190-L201 VanDerWaalsContact CZ3-CD1 3.44Å; W190-L201 HydrophobicContact CZ3-CG 4.24Å; K194-L201 WeakPolarHBondContact CD-O 3.23Å; K194-L201 HydrophobicContact CG-CB 3.91Å; M198-L201 HydrophobicContact CB-CB 4.43Å; M198-L201 HydrophobicContact CB-CD1 3.61Å; M198-L201 HydrophobicContact CB-CG 3.81Å; M198-L201 HydrophobicContact CE-CD1 3.71Å; M198-L201 HydrophobicContact CE-CG 4.23Å; M198-L201 HydrophobicContact CG-CD1 4.26Å; M198-L201 VanDerWaalsContact O-CB 3.26Å; M198-L201 WeakPolarHBondContact O-CB 3.5Å; M198-L201 PolarHBondContact O-N 3.34Å; M198-L201 HydrophobicContact SD-CD1 3.68Å; P199-L201 PolarHBondContact O-N 3.27Å; P199-L201 VanDerWaalsContact O-N 3.13Å; L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.86Å; L201-K204 HydrophobicContact CD2-CD 3.82Å; L201-K204 HydrophobicContact CD2-CG 4.39Å; L201-K204 WeakPolarHBondContact O-CB 3.33Å; L201-K204 PolarHBondContact O-N 3.08Å; L201-K204 VanDerWaalsContact O-N 3.07Å; L201-V211 HydrophobicContact CD1-CG1 4.05Å; L201-V211 HydrophobicContact CD2-CG1 4.22Å; L201-I215 HydrophobicContact CD1-CG1 4.34Å
202R93.8Very high95.2Very high141 Ų14171.6 Ų71.653%0.53236%0.358SS..THydrogen-bonded Turntrans-61-33178.7-70.6172.8-170.9178.42113.2K194 E195 P199 E200 K204K194-R202 HydrophobicContact CB-CG 4.14Å; K194-R202 PolarHBondContact O-NE 3.23Å; E195-R202 PolarHBondContact O-NH2 3.2Å; P199-R202 VanDerWaalsContact O-CB 3.25Å; P199-R202 WeakPolarHBondContact O-CB 3.43Å; P199-R202 WeakPolarHBondContact O-CD 3.37Å; P199-R202 WeakPolarHBondContact O-CG 2.93Å; P199-R202 PolarHBondContact O-N 3.16Å; E200-R202 VanDerWaalsContact C-N 3.34Å; R202-K204 VanDerWaalsContact C-N 3.25Å; R202-K204 PolarHBondContact O-N 2.96Å
203D92.6Very high95.2Very high142 Ų14276.3 Ų76.376%0.75938%0.378SS*.THydrogen-bonded Turntrans-78.5-8.4178.2-60.4-35.6000113.2L201L201-D203 VanDerWaalsContact C-N 3.26Å; L201-D203 PolarHBondContact O-N 2.86Å
204K92.3Very high95.2Very high96 Ų9678.3 Ų78.342%0.41739%0.393SS..  trans-85.6117.7179.8-59.2-156.4-175.7-151.30111.5W190 L201 R202 V211W190-K204 HydrophobicContact CZ2-CB 4.2Å; L201-K204 HydrophobicContact CD2-CD 3.82Å; L201-K204 HydrophobicContact CD2-CG 4.39Å; L201-K204 WeakPolarHBondContact O-CB 3.33Å; L201-K204 PolarHBondContact O-N 3.08Å; L201-K204 VanDerWaalsContact O-N 3.07Å; R202-K204 VanDerWaalsContact C-N 3.25Å; R202-K204 PolarHBondContact O-N 2.96Å; K204-V211 HydrophobicContact CD-CG2 3.76Å
205Q87.8Confident95.3Very high156 Ų15677 Ų7773%0.72939%0.387SS*.  trans-71.5-30.4178.3-61.3-57.1-35.500113.5
206H91Very high95.4Very high154 Ų15471.8 Ų71.871%0.71336%0.363SS*.SBendtrans-132.5146-172.7-56.2-58.5000112.5S208H206-S208 PolarHBondContact O-N 3.05Å; H206-S208 VanDerWaalsContact O-N 3.16Å
207L93.4Very high95.5Very high56 Ų5670.3 Ų70.329%0.29336%0.358SS..  trans-80.590.5174-175.659.6000109.7V185 W190 V211 Y212 I215V185-L207 HydrophobicContact CB-CD2 4.23Å; V185-L207 HydrophobicContact CG1-CD1 4.45Å; V185-L207 HydrophobicContact CG1-CD2 3.74Å; W190-L207 HydrophobicContact CD2-CD1 4.32Å; W190-L207 HydrophobicContact CE3-CD1 4.17Å; W190-L207 HydrophobicContact CZ3-CD1 4.31Å; L207-V211 HydrophobicContact CD1-CB 4.27Å; L207-V211 HydrophobicContact CD1-CG1 3.82Å; L207-Y212 HydrophobicContact CD2-CD2 3.75Å; L207-Y212 HydrophobicContact CD2-CE2 4.46Å; L207-Y212 HydrophobicContact CG-CD2 4.2Å; L207-I215 HydrophobicContact CD1-CD1 3.61Å
208S95.4Very high95.6Very high48 Ų4871 Ų7134%0.33636%0.362SS..  trans-72.3159.3176.278.50000111.7H206 T210 V211 Y212H206-S208 PolarHBondContact O-N 3.05Å; H206-S208 VanDerWaalsContact O-N 3.16Å; S208-T210 VanDerWaalsContact C-N 3.25Å; S208-T210 PolarHBondContact O-N 2.87Å; S208-V211 PolarHBondContact O-N 3.1Å; S208-V211 VanDerWaalsContact O-N 3.09Å; S208-V211 WeakPolarHBondContact OG-CG2 3.41Å; S208-V211 PolarHBondContact OG-N 3.45Å; S208-Y212 WeakPolarHBondContact O-CB 3.32Å; S208-Y212 PolarHBondContact O-N 3Å
209P95.3Very high95.6Very high94 Ų9470 Ų7061%0.6136%0.357SS*.Hα-helixtrans-55.6-37.6177.8-27.935.9000114K213P209-K213 PolarHBondContact O-N 3.47Å
210T96.7Very high95.8Very high113 Ų11369.1 Ų69.169%0.69335%0.345SS*.Hα-helixtrans-66.7-43.6176.7-520000111.5S208 K213 S214S208-T210 VanDerWaalsContact C-N 3.25Å; S208-T210 PolarHBondContact O-N 2.87Å; T210-K213 PolarHBondContact O-N 3.42Å; T210-S214 PolarHBondContact O-N 3.49Å
211V97Very high95.9Very high5 Ų573 Ų733%0.0336%0.36CS..Hα-helixtrans-67.7-42178.1175.80000110.5W190 L201 K204 L207 S208 K213 S214 I215W190-V211 HydrophobicContact CH2-CG1 3.57Å; W190-V211 HydrophobicContact CZ3-CG1 3.8Å; L201-V211 HydrophobicContact CD1-CG1 4.05Å; L201-V211 HydrophobicContact CD2-CG1 4.22Å; K204-V211 HydrophobicContact CD-CG2 3.76Å; L207-V211 HydrophobicContact CD1-CB 4.27Å; L207-V211 HydrophobicContact CD1-CG1 3.82Å; S208-V211 PolarHBondContact O-N 3.1Å; S208-V211 VanDerWaalsContact O-N 3.09Å; S208-V211 WeakPolarHBondContact OG-CG2 3.41Å; S208-V211 PolarHBondContact OG-N 3.45Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 3.48Å; V211-S214 WeakPolarHBondContact CA-OG 3.49Å; V211-S214 PolarHBondContact O-N 2.72Å; V211-S214 PolarHBondContact O-OG 3.26Å; V211-I215 HydrophobicContact CG1-CD1 4.06Å; V211-I215 HydrophobicContact CG1-CG1 4.46Å; V211-I215 VanDerWaalsContact O-CG1 3.23Å; V211-I215 WeakPolarHBondContact O-CG1 3.26Å; V211-I215 PolarHBondContact O-N 3.12Å
212Y98.2Very high96Very high19 Ų1977.5 Ų77.58%0.07538%0.376CS..Hα-helixtrans-53.7-48.5172.7-173.6-69.9000111.1R166 K167 D170 I183 V185 L207 S208 I215 G216R166-Y212 HydrophobicContact CB-CE1 4.47Å; R166-Y212 HydrophobicContact CG-CD1 4.01Å; R166-Y212 HydrophobicContact CG-CE1 3.53Å; K167-Y212 HydrophobicContact CB-CE2 3.82Å; K167-Y212 WeakPolarHBondContact CB-OH 3.35Å; D170-Y212 VanDerWaalsContact OD2-CE1 3.27Å; D170-Y212 WeakPolarHBondContact OD2-CE1 3.49Å; D170-Y212 PolarHBondContact OD2-OH 2.67Å; I183-Y212 PolarHBondContact O-OH 2.79Å; V185-Y212 HydrophobicContact CB-CD2 3.82Å; V185-Y212 HydrophobicContact CB-CE2 3.5Å; V185-Y212 HydrophobicContact CB-CG 4.47Å; V185-Y212 HydrophobicContact CG2-CD2 4.32Å; V185-Y212 HydrophobicContact CG2-CE1 4.23Å; V185-Y212 HydrophobicContact CG2-CE2 4.05Å; V185-Y212 PolarHBondContact N-OH 2.92Å; V185-Y212 VanDerWaalsContact N-OH 3.12Å; V185-Y212 WeakPolarHBondContact O-CE2 3.36Å; L207-Y212 HydrophobicContact CD2-CD2 3.75Å; L207-Y212 HydrophobicContact CD2-CE2 4.46Å; L207-Y212 HydrophobicContact CG-CD2 4.2Å; S208-Y212 WeakPolarHBondContact O-CB 3.32Å; S208-Y212 PolarHBondContact O-N 3Å; Y212-I215 PolarHBondContact O-N 3.01Å; Y212-G216 PolarHBondContact O-N 2.89Å; Y212-G216 VanDerWaalsContact O-N 3.14Å
213K97.6Very high96.2Very high110 Ų11070.8 Ų70.848%0.47835%0.351SS..Hα-helixtrans-62.1-46.3178.7-173-175.6-178.5-640111.6P209 T210 V211 I215 G216 D217P209-K213 PolarHBondContact O-N 3.47Å; T210-K213 PolarHBondContact O-N 3.42Å; V211-K213 VanDerWaalsContact C-N 3.29Å; V211-K213 PolarHBondContact O-N 3.48Å; K213-I215 VanDerWaalsContact C-N 3.29Å; K213-I215 PolarHBondContact O-N 3.39Å; K213-G216 PolarHBondContact O-N 3.42Å; K213-D217 IonicContact NZ-OD1 3.49Å; K213-D217 IonicContact NZ-OD2 3.57Å; K213-D217 PolarHBondContact NZ-OD2 2.82Å; K213-D217 PolarHBondContact O-N 3.49Å
214S97.9Very high96.5Very high43 Ų4365.4 Ų65.430%0.30133%0.329SS..Hα-helixtrans-63-35.4-178.964.90000112.7T210 V211 D217 F218T210-S214 PolarHBondContact O-N 3.49Å; V211-S214 WeakPolarHBondContact CA-OG 3.49Å; V211-S214 PolarHBondContact O-N 2.72Å; V211-S214 PolarHBondContact O-OG 3.26Å; S214-D217 PolarHBondContact O-N 3.41Å; S214-F218 WeakPolarHBondContact O-CB 3.08Å; S214-F218 PolarHBondContact O-N 2.87Å
215I98.5Very high96.7Very high0 Ų070.4 Ų70.40%035%0.346CS..Hα-helixtrans-62.8-51.6173.1-64.4165.4000109.8V185 W190 T193 M198 L201 L207 V211 Y212 K213 D217 F218 Y219V185-I215 HydrophobicContact CG1-CD1 3.88Å; V185-I215 HydrophobicContact CG1-CG2 4.21Å; V185-I215 HydrophobicContact CG2-CB 4.16Å; V185-I215 HydrophobicContact CG2-CG2 3.69Å; W190-I215 HydrophobicContact CE3-CD1 3.44Å; W190-I215 VanDerWaalsContact CE3-CD1 3.44Å; W190-I215 HydrophobicContact CZ3-CD1 3.43Å; W190-I215 VanDerWaalsContact CZ3-CD1 3.43Å; W190-I215 HydrophobicContact CZ3-CG1 4.29Å; T193-I215 HydrophobicContact CG2-CG1 4.06Å; T193-I215 HydrophobicContact CG2-CG2 4.11Å; M198-I215 HydrophobicContact SD-CG1 4.39Å; L201-I215 HydrophobicContact CD1-CG1 4.34Å; L207-I215 HydrophobicContact CD1-CD1 3.61Å; V211-I215 HydrophobicContact CG1-CD1 4.06Å; V211-I215 HydrophobicContact CG1-CG1 4.46Å; V211-I215 VanDerWaalsContact O-CG1 3.23Å; V211-I215 WeakPolarHBondContact O-CG1 3.26Å; V211-I215 PolarHBondContact O-N 3.12Å; Y212-I215 PolarHBondContact O-N 3.01Å; K213-I215 VanDerWaalsContact C-N 3.29Å; K213-I215 PolarHBondContact O-N 3.39Å; I215-D217 VanDerWaalsContact C-N 3.28Å; I215-D217 PolarHBondContact O-N 2.94Å; I215-F218 WeakPolarHBondContact O-CB 3.26Å; I215-F218 PolarHBondContact O-N 3.03Å; I215-F218 VanDerWaalsContact O-N 3.1Å; I215-Y219 HydrophobicContact CG2-CD2 3.79Å; I215-Y219 HydrophobicContact CG2-CE2 3.62Å; I215-Y219 VanDerWaalsContact O-CD2 3.29Å; I215-Y219 WeakPolarHBondContact O-CD2 3.34Å; I215-Y219 PolarHBondContact O-N 3.21Å
216G98.4Very high97.2Very high1 Ų165.8 Ų65.81%0.0132%0.322CS..Hα-helixtrans-56.1-43.7177.300000112.5Y212 K213 F218 Y219 R220Y212-G216 PolarHBondContact O-N 2.89Å; Y212-G216 VanDerWaalsContact O-N 3.14Å; K213-G216 PolarHBondContact O-N 3.42Å; G216-F218 VanDerWaalsContact C-N 3.35Å; G216-F218 PolarHBondContact O-N 3.12Å; G216-Y219 PolarHBondContact O-N 3.44Å; G216-R220 VanDerWaalsContact C-NH1 3.28Å; G216-R220 WeakPolarHBondContact O-CG 3.36Å; G216-R220 PolarHBondContact O-N 2.98Å; G216-R220 PolarHBondContact O-NH1 3.43Å
217D98.4Very high97.6Very high61 Ų6158.5 Ų58.533%0.32629%0.288SS..Hα-helixtrans-64-38.7177.6-63.7-13.8000112K213 S214 I215 R220 K221K213-D217 IonicContact NZ-OD1 3.49Å; K213-D217 IonicContact NZ-OD2 3.57Å; K213-D217 PolarHBondContact NZ-OD2 2.82Å; K213-D217 PolarHBondContact O-N 3.49Å; S214-D217 PolarHBondContact O-N 3.41Å; I215-D217 VanDerWaalsContact C-N 3.28Å; I215-D217 PolarHBondContact O-N 2.94Å; D217-R220 PolarHBondContact O-N 3.48Å; D217-R220 IonicContact OD1-NH1 2.9Å; D217-R220 PolarHBondContact OD1-NH1 3.47Å; D217-K221 VanDerWaalsContact O-CB 3.32Å; D217-K221 WeakPolarHBondContact O-CB 3.41Å; D217-K221 PolarHBondContact O-N 3.36Å
218F98.5Very high97.8Very high42 Ų4255.8 Ų55.818%0.18427%0.274CS..Hα-helixtrans-58.3-53173.6167.3-90.9000111.4Y197 M198 S214 I215 G216 R220 K221 R222Y197-F218 VanDerWaalsContact CB-CZ 3.48Å; Y197-F218 AromaticContact CD1-CE1 3.84Å; Y197-F218 HydrophobicContact CD1-CE1 3.84Å; Y197-F218 AromaticContact CD1-CZ 3.56Å; Y197-F218 HydrophobicContact CD1-CZ 3.56Å; Y197-F218 AromaticContact CD2-CE1 3.68Å; Y197-F218 HydrophobicContact CD2-CE1 3.68Å; Y197-F218 HydrophobicContact CD2-CZ 4.24Å; Y197-F218 HydrophobicContact CE1-CE1 4.44Å; Y197-F218 HydrophobicContact CE1-CZ 4.33Å; Y197-F218 HydrophobicContact CE2-CE1 4.31Å; Y197-F218 HydrophobicContact CG-CD1 4.49Å; Y197-F218 AromaticContact CG-CE1 3.41Å; Y197-F218 HydrophobicContact CG-CE1 3.41Å; Y197-F218 VanDerWaalsContact CG-CE1 3.41Å; Y197-F218 AromaticContact CG-CZ 3.5Å; Y197-F218 HydrophobicContact CG-CZ 3.5Å; Y197-F218 VanDerWaalsContact CG-CZ 3.5Å; M198-F218 HydrophobicContact SD-CB 4.39Å; S214-F218 WeakPolarHBondContact O-CB 3.08Å; S214-F218 PolarHBondContact O-N 2.87Å; I215-F218 WeakPolarHBondContact O-CB 3.26Å; I215-F218 PolarHBondContact O-N 3.03Å; I215-F218 VanDerWaalsContact O-N 3.1Å; G216-F218 VanDerWaalsContact C-N 3.35Å; G216-F218 PolarHBondContact O-N 3.12Å; F218-R220 PolarHBondContact O-N 3.31Å; F218-K221 PolarHBondContact O-N 3.49Å; F218-R222 WeakPolarHBondContact O-CB 3.46Å; F218-R222 PolarHBondContact O-N 3.38Å
219Y98.7Very high98Very high1 Ų153.8 Ų53.80%0.00426%0.259CS..Hα-helixtrans-62.1-43.5-179.5-81-89.4000111.4I183 V189 T193 Y197 I215 G216 K221 R222 F223 A227 H231 L234I183-Y219 HydrophobicContact CD1-CG 4.45Å; I183-Y219 HydrophobicContact CG2-CD2 3.97Å; I183-Y219 HydrophobicContact CG2-CG 4.16Å; V189-Y219 HydrophobicContact CG1-CE2 4.26Å; T193-Y219 WeakPolarHBondContact OG1-CE2 3.48Å; T193-Y219 PolarHBondContact OG1-OH 3.38Å; T193-Y219 VanDerWaalsContact OG1-OH 3.09Å; Y197-Y219 HydrophobicContact CD2-CE1 4.48Å; Y197-Y219 AromaticContact CD2-CZ 3.98Å; Y197-Y219 AromaticContact CE2-CE1 3.97Å; Y197-Y219 HydrophobicContact CE2-CE1 3.97Å; Y197-Y219 AromaticContact CE2-CZ 3.83Å; Y197-Y219 WeakPolarHBondContact CE2-OH 3.4Å; I215-Y219 HydrophobicContact CG2-CD2 3.79Å; I215-Y219 HydrophobicContact CG2-CE2 3.62Å; I215-Y219 VanDerWaalsContact O-CD2 3.29Å; I215-Y219 WeakPolarHBondContact O-CD2 3.34Å; I215-Y219 PolarHBondContact O-N 3.21Å; G216-Y219 PolarHBondContact O-N 3.44Å; Y219-K221 PolarHBondContact O-N 3Å; Y219-R222 PolarHBondContact O-N 3.44Å; Y219-F223 AromaticContact CD1-CD2 3.77Å; Y219-F223 HydrophobicContact CD1-CD2 3.77Å; Y219-F223 AromaticContact CD1-CE2 3.58Å; Y219-F223 HydrophobicContact CD1-CE2 3.58Å; Y219-F223 HydrophobicContact CE1-CE2 4.02Å; Y219-F223 WeakPolarHBondContact O-CD2 3.23Å; Y219-F223 PolarHBondContact O-N 2.89Å; Y219-A227 VanDerWaalsContact O-CB 3.29Å; Y219-A227 WeakPolarHBondContact O-CB 3.37Å; Y219-H231 HydrophobicContact CD1-CB 4.17Å; Y219-H231 HydrophobicContact CE1-CB 4.43Å; Y219-L234 HydrophobicContact CE1-CD1 3.84Å
220R98.4Very high98.1Very high48 Ų4849.3 Ų49.318%0.18123%0.23CC..Hα-helixtrans-61.7-42.8177-69.2-173.6-14497.2-0.3112.4Y151 D181 I183 G216 D217 F218 R222 G224 A227Y151-R220 PolarHBondContact OH-NH2 3Å; Y151-R220 VanDerWaalsContact OH-NH2 3.13Å; D181-R220 HydrophobicContact CB-CG 4.11Å; D181-R220 VanDerWaalsContact O-CD 3.32Å; D181-R220 WeakPolarHBondContact O-CD 3.29Å; D181-R220 WeakPolarHBondContact O-CG 3.42Å; D181-R220 PolarHBondContact O-NE 3.11Å; I183-R220 HydrophobicContact CG1-CG 4.22Å; G216-R220 VanDerWaalsContact C-NH1 3.28Å; G216-R220 WeakPolarHBondContact O-CG 3.36Å; G216-R220 PolarHBondContact O-N 2.98Å; G216-R220 PolarHBondContact O-NH1 3.43Å; D217-R220 PolarHBondContact O-N 3.48Å; D217-R220 IonicContact OD1-NH1 2.9Å; D217-R220 PolarHBondContact OD1-NH1 3.47Å; F218-R220 PolarHBondContact O-N 3.31Å; R220-R222 VanDerWaalsContact C-N 3.33Å; R220-G224 VanDerWaalsContact O-CA 3.28Å; R220-G224 WeakPolarHBondContact O-CA 3.49Å; R220-G224 PolarHBondContact O-N 3.47Å; R220-A227 HydrophobicContact CG-CB 4.31Å
221K98.4Very high98.2Very high195 Ų19544.4 Ų44.485%0.84820%0.199SC*.Hα-helixtrans-64.2-39.5176.6-175.8178.4178.7-1780111.7D217 F218 Y219D217-K221 VanDerWaalsContact O-CB 3.32Å; D217-K221 WeakPolarHBondContact O-CB 3.41Å; D217-K221 PolarHBondContact O-N 3.36Å; F218-K221 PolarHBondContact O-N 3.49Å; Y219-K221 PolarHBondContact O-N 3Å
222R98.3Very high98.2Very high102 Ų10245 Ų4539%0.38520%0.203SC..Hα-helixtrans-75.1-45.6-176.7-177.966.572.6146.19.3113S37 D38 F218 Y219 R220S37-R222 VanDerWaalsContact O-CD 3.25Å; S37-R222 WeakPolarHBondContact O-CD 3.16Å; S37-R222 PolarHBondContact O-NH1 3.22Å; D38-R222 HydrophobicContact CB-CG 4.27Å; D38-R222 IonicContact OD1-CZ 3.76Å; D38-R222 IonicContact OD1-NE 2.7Å; D38-R222 IonicContact OD1-NH1 3.77Å; F218-R222 WeakPolarHBondContact O-CB 3.46Å; F218-R222 PolarHBondContact O-N 3.38Å; Y219-R222 PolarHBondContact O-N 3.44Å; R220-R222 VanDerWaalsContact C-N 3.33Å
223F98.4Very high98.2Very high1 Ų144 Ų440%0.00420%0.2CC..Hα-helixtrans-111.1-2.8-168.4-60.2-68.7000114W34 D38 F41 Y219 A227 A230 L234W34-F223 HydrophobicContact CB-CD1 3.91Å; W34-F223 HydrophobicContact CB-CE1 4.24Å; W34-F223 AromaticContact CD1-CD1 3.81Å; W34-F223 AromaticContact CG-CD1 4Å; W34-F223 HydrophobicContact CG-CD1 4Å; W34-F223 PolarHBondContact NE1-O 3.33Å; D38-F223 HydrophobicContact CB-CE1 3.72Å; D38-F223 HydrophobicContact CB-CZ 3.87Å; F41-F223 HydrophobicContact CB-CE1 3.88Å; F41-F223 HydrophobicContact CB-CZ 4.18Å; F41-F223 HydrophobicContact CD2-CE1 4.01Å; F41-F223 HydrophobicContact CD2-CZ 4.36Å; F41-F223 HydrophobicContact CG-CE1 4Å; Y219-F223 AromaticContact CD1-CD2 3.77Å; Y219-F223 HydrophobicContact CD1-CD2 3.77Å; Y219-F223 AromaticContact CD1-CE2 3.58Å; Y219-F223 HydrophobicContact CD1-CE2 3.58Å; Y219-F223 HydrophobicContact CE1-CE2 4.02Å; Y219-F223 WeakPolarHBondContact O-CD2 3.23Å; Y219-F223 PolarHBondContact O-N 2.89Å; F223-A227 HydrophobicContact CB-CB 3.74Å; F223-A230 HydrophobicContact CB-CB 3.8Å; F223-A230 HydrophobicContact CD1-CB 3.61Å; F223-A230 HydrophobicContact CD2-CB 4.03Å; F223-A230 HydrophobicContact CE1-CB 4.15Å; F223-A230 HydrophobicContact CG-CB 3.54Å; F223-L234 HydrophobicContact CE2-CD1 4.31Å; F223-L234 HydrophobicContact CZ-CD1 4.18Å
224G97.7Very high98.3Very high29 Ų2939 Ų3930%0.29918%0.178SC..G310 helixtrans71.7-148.7173.100000114.4R220 Y226 A227R220-G224 VanDerWaalsContact O-CA 3.28Å; R220-G224 WeakPolarHBondContact O-CA 3.49Å; R220-G224 PolarHBondContact O-N 3.47Å; G224-Y226 PolarHBondContact O-N 2.85Å; G224-Y226 VanDerWaalsContact O-N 3.11Å; G224-A227 WeakPolarHBondContact O-CB 3.49Å; G224-A227 PolarHBondContact O-N 3.27Å
225R97.2Very high98.2Very high201 Ų20139.2 Ų39.276%0.75817%0.174SC*.G310 helixtrans-58.2-27-172-179.8177176.6-178.6-0.3114.7G180 D181G180-R225 CarbonylContact C-O 3.46Å; D181-R225 PolarHBondContact N-O 2.72Å
226Y98.1Very high98.2Very high59 Ų5940.5 Ų40.523%0.23118%0.183CC..G310 helixtrans-108.728.6178.4-70.4-87.6000111.9T25 L30 G180 G224 G228 W229 A230T25-Y226 HydrophobicContact CG2-CD1 4.41Å; T25-Y226 HydrophobicContact CG2-CE1 3.74Å; L30-Y226 HydrophobicContact CD1-CD1 4.28Å; L30-Y226 HydrophobicContact CD1-CD2 4.11Å; L30-Y226 HydrophobicContact CD1-CE2 4.45Å; L30-Y226 HydrophobicContact CD1-CG 4.02Å; L30-Y226 HydrophobicContact CD2-CD2 3.61Å; L30-Y226 HydrophobicContact CD2-CE2 4.26Å; L30-Y226 HydrophobicContact CD2-CG 4.06Å; G180-Y226 CarbonylContact O-C 3.37Å; G180-Y226 VanDerWaalsContact O-CA 3.32Å; G180-Y226 WeakPolarHBondContact O-CA 3.38Å; G224-Y226 PolarHBondContact O-N 2.85Å; G224-Y226 VanDerWaalsContact O-N 3.11Å; Y226-G228 PolarHBondContact O-N 2.88Å; Y226-W229 AromaticContact CD1-CD1 3.71Å; Y226-W229 HydrophobicContact CD1-CD2 4.19Å; Y226-W229 AromaticContact CD1-CE2 3.88Å; Y226-W229 HydrophobicContact CD1-CG 4.06Å; Y226-W229 AromaticContact CD1-NE1 3.6Å; Y226-W229 HydrophobicContact CE1-CZ2 4.43Å; Y226-W229 WeakPolarHBondContact O-CA 3.24Å; Y226-W229 VanDerWaalsContact O-CB 3.3Å; Y226-W229 WeakPolarHBondContact O-CB 3.08Å; Y226-W229 PolarHBondContact O-N 2.8Å; Y226-A230 PolarHBondContact O-N 2.95Å
227A98.6Very high98.1Very high0 Ų041.5 Ų41.50%019%0.187CC..Hα-helixtrans-56.7-33.6-177.400000114.3G180 I183 Y219 R220 F223 G224 W229 A230 H231G180-A227 PolarHBondContact O-N 3.4Å; I183-A227 HydrophobicContact CD1-CB 3.88Å; Y219-A227 VanDerWaalsContact O-CB 3.29Å; Y219-A227 WeakPolarHBondContact O-CB 3.37Å; R220-A227 HydrophobicContact CG-CB 4.31Å; F223-A227 HydrophobicContact CB-CB 3.74Å; G224-A227 WeakPolarHBondContact O-CB 3.49Å; G224-A227 PolarHBondContact O-N 3.27Å; A227-W229 PolarHBondContact O-N 3.42Å; A227-A230 PolarHBondContact O-N 3.02Å; A227-H231 WeakPolarHBondContact O-CB 3.32Å; A227-H231 PolarHBondContact O-N 3.13Å
228G98.6Very high97.9Very high0 Ų039.4 Ų39.40%018%0.179CC..Hα-helixtrans-62.7-29.4173.900000113.2L174 G180 A182 Y226 H231 S232L174-G228 WeakPolarHBondContact CD2-O 3.37Å; G180-G228 WeakPolarHBondContact O-CA 3.3Å; G180-G228 PolarHBondContact O-N 3.16Å; A182-G228 VanDerWaalsContact O-CA 3.31Å; A182-G228 WeakPolarHBondContact O-CA 3.42Å; Y226-G228 PolarHBondContact O-N 2.88Å; G228-H231 WeakPolarHBondContact O-CB 3.28Å; G228-H231 PolarHBondContact O-ND1 3.3Å; G228-S232 PolarHBondContact O-N 3.32Å; G228-S232 PolarHBondContact O-OG 3.02Å; G228-S232 VanDerWaalsContact O-OG 3.07Å
229W98.5Very high97.6Very high6 Ų638.8 Ų38.82%0.02318%0.179CC..Hα-helixtrans-74.5-46.4175.5-68.554000111.8Q22 T25 L27 W34 R52 V53 Y226 A227 H231 S232 V233Q22-W229 HydrophobicContact CB-CH2 3.8Å; Q22-W229 HydrophobicContact CB-CZ2 4.25Å; Q22-W229 HydrophobicContact CG-CH2 4.44Å; Q22-W229 HydrophobicContact CG-CZ2 4.48Å; Q22-W229 VanDerWaalsContact NE2-CZ2 3.33Å; T25-W229 HydrophobicContact CG2-CH2 3.99Å; T25-W229 HydrophobicContact CG2-CZ2 4.31Å; T25-W229 HydrophobicContact CG2-CZ3 4.28Å; L27-W229 HydrophobicContact CD1-CE3 4.1Å; L27-W229 HydrophobicContact CD1-CZ3 4.15Å; W34-W229 HydrophobicContact CH2-CB 3.46Å; W34-W229 VanDerWaalsContact CH2-CB 3.46Å; W34-W229 HydrophobicContact CH2-CG 4.46Å; W34-W229 HydrophobicContact CZ2-CB 3.74Å; W34-W229 HydrophobicContact CZ3-CB 4.47Å; R52-W229 HydrophobicContact CB-CH2 4.5Å; R52-W229 HydrophobicContact CB-CZ3 3.86Å; R52-W229 HydrophobicContact CG-CZ3 4.05Å; V53-W229 HydrophobicContact CB-CD2 3.74Å; V53-W229 HydrophobicContact CB-CE3 4.22Å; V53-W229 HydrophobicContact CB-CG 4.12Å; V53-W229 HydrophobicContact CB-CH2 4.37Å; V53-W229 HydrophobicContact CB-CZ2 3.91Å; V53-W229 HydrophobicContact CG2-CB 4.07Å; V53-W229 HydrophobicContact CG2-CD2 3.61Å; V53-W229 HydrophobicContact CG2-CE3 4.21Å; V53-W229 HydrophobicContact CG2-CG 3.51Å; Y226-W229 AromaticContact CD1-CD1 3.71Å; Y226-W229 HydrophobicContact CD1-CD2 4.19Å; Y226-W229 AromaticContact CD1-CE2 3.88Å; Y226-W229 HydrophobicContact CD1-CG 4.06Å; Y226-W229 AromaticContact CD1-NE1 3.6Å; Y226-W229 HydrophobicContact CE1-CZ2 4.43Å; Y226-W229 WeakPolarHBondContact O-CA 3.24Å; Y226-W229 VanDerWaalsContact O-CB 3.3Å; Y226-W229 WeakPolarHBondContact O-CB 3.08Å; Y226-W229 PolarHBondContact O-N 2.8Å; A227-W229 PolarHBondContact O-N 3.42Å; W229-H231 VanDerWaalsContact C-N 3.29Å; W229-H231 PolarHBondContact O-N 2.77Å; W229-S232 WeakPolarHBondContact O-CA 3.42Å; W229-S232 WeakPolarHBondContact O-CB 3.26Å; W229-S232 PolarHBondContact O-N 3.09Å; W229-V233 WeakPolarHBondContact O-CG2 3.48Å; W229-V233 PolarHBondContact O-N 3.44Å; W229-V233 VanDerWaalsContact O-N 3.15Å
230A98.5Very high97.1Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-58-45.9173.700000110.8W34 F41 F223 Y226 A227 S232 V233 L234W34-A230 HydrophobicContact CB-CB 4.45Å; W34-A230 HydrophobicContact CD2-CB 3.64Å; W34-A230 HydrophobicContact CE3-CB 4.1Å; W34-A230 HydrophobicContact CG-CB 3.81Å; W34-A230 HydrophobicContact CZ2-CB 4.32Å; F41-A230 HydrophobicContact CD2-CB 4.12Å; F41-A230 HydrophobicContact CE2-CB 3.79Å; F41-A230 WeakPolarHBondContact CE2-O 3.46Å; F223-A230 HydrophobicContact CB-CB 3.8Å; F223-A230 HydrophobicContact CD1-CB 3.61Å; F223-A230 HydrophobicContact CD2-CB 4.03Å; F223-A230 HydrophobicContact CE1-CB 4.15Å; F223-A230 HydrophobicContact CG-CB 3.54Å; Y226-A230 PolarHBondContact O-N 2.95Å; A227-A230 PolarHBondContact O-N 3.02Å; A230-S232 VanDerWaalsContact C-N 3.3Å; A230-S232 PolarHBondContact O-N 2.67Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 PolarHBondContact O-N 3.18Å; A230-V233 VanDerWaalsContact O-N 3.1Å; A230-L234 PolarHBondContact O-N 3.16Å
231H98.4Very high96.3Very high9 Ų943.7 Ų43.74%0.04222%0.217CC..Hα-helixtrans-51.1-45.8169.9156.6-81.8000112.3I183 P184 V189 Y219 A227 G228 W229 V233 L234 F235I183-H231 HydrophobicContact CD1-CB 4.25Å; P184-H231 PolarHBondContact O-NE2 3.13Å; P184-H231 VanDerWaalsContact O-NE2 3.15Å; V189-H231 WeakPolarHBondContact CG2-NE2 3.35Å; Y219-H231 HydrophobicContact CD1-CB 4.17Å; Y219-H231 HydrophobicContact CE1-CB 4.43Å; A227-H231 WeakPolarHBondContact O-CB 3.32Å; A227-H231 PolarHBondContact O-N 3.13Å; G228-H231 WeakPolarHBondContact O-CB 3.28Å; G228-H231 PolarHBondContact O-ND1 3.3Å; W229-H231 VanDerWaalsContact C-N 3.29Å; W229-H231 PolarHBondContact O-N 2.77Å; H231-V233 VanDerWaalsContact C-N 3.3Å; H231-V233 PolarHBondContact O-N 3.25Å; H231-L234 PolarHBondContact O-N 3.17Å; H231-F235 WeakPolarHBondContact O-CB 3.26Å; H231-F235 PolarHBondContact O-N 3.36Å
232S98.1Very high94.6Very high17 Ų1738.8 Ų38.812%0.11921%0.208CC..Hα-helixtrans-63.7-31.6178.9-72.30000113.3G228 W229 A230 S236G228-S232 PolarHBondContact O-N 3.32Å; G228-S232 PolarHBondContact O-OG 3.02Å; G228-S232 VanDerWaalsContact O-OG 3.07Å; W229-S232 WeakPolarHBondContact O-CA 3.42Å; W229-S232 WeakPolarHBondContact O-CB 3.26Å; W229-S232 PolarHBondContact O-N 3.09Å; A230-S232 VanDerWaalsContact C-N 3.3Å; A230-S232 PolarHBondContact O-N 2.67Å; S232-S236 VanDerWaalsContact O-CB 3.27Å; S232-S236 WeakPolarHBondContact O-CB 3.32Å; S232-S236 PolarHBondContact O-N 2.93Å; S232-S236 PolarHBondContact O-OG 3.42Å
233V98.3Very high92.3Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-66.8-48.3173.5-168.40000110.5Y31 W34 F41 V44 L48 I51 W229 A230 H231 F235 S236 N237Y31-V233 HydrophobicContact CE1-CG1 4.37Å; Y31-V233 HydrophobicContact CE2-CG2 4.31Å; W34-V233 HydrophobicContact CZ3-CG2 4.49Å; F41-V233 HydrophobicContact CE2-CB 3.76Å; F41-V233 HydrophobicContact CE2-CG1 4.24Å; F41-V233 HydrophobicContact CE2-CG2 3.9Å; F41-V233 HydrophobicContact CZ-CB 4.14Å; F41-V233 HydrophobicContact CZ-CG1 4.29Å; F41-V233 HydrophobicContact CZ-CG2 3.97Å; V44-V233 HydrophobicContact CG1-CG1 4.22Å; L48-V233 HydrophobicContact CB-CG1 4.19Å; I51-V233 HydrophobicContact CB-CG2 4.12Å; I51-V233 HydrophobicContact CG1-CG1 4.45Å; I51-V233 HydrophobicContact CG2-CG2 4.35Å; W229-V233 WeakPolarHBondContact O-CG2 3.48Å; W229-V233 PolarHBondContact O-N 3.44Å; W229-V233 VanDerWaalsContact O-N 3.15Å; A230-V233 WeakPolarHBondContact O-CB 3.43Å; A230-V233 PolarHBondContact O-N 3.18Å; A230-V233 VanDerWaalsContact O-N 3.1Å; H231-V233 VanDerWaalsContact C-N 3.3Å; H231-V233 PolarHBondContact O-N 3.25Å; V233-F235 PolarHBondContact O-N 3.05Å; V233-S236 WeakPolarHBondContact O-CB 3.46Å; V233-S236 PolarHBondContact O-N 3.36Å; V233-N237 PolarHBondContact O-N 2.98Å
234L98.2Very high92Very high3 Ų347.6 Ų47.62%0.01625%0.25CS..Hα-helixtrans-61.7-45.1178.7-63.8169.1000111.6F41 V44 I192 Y197 Y219 F223 A230 H231 S236 N237 A238F41-L234 HydrophobicContact CB-CD2 4.42Å; F41-L234 HydrophobicContact CD2-CD1 4.28Å; F41-L234 HydrophobicContact CD2-CD2 4.05Å; F41-L234 HydrophobicContact CD2-CG 3.98Å; V44-L234 HydrophobicContact CB-CD2 4.03Å; V44-L234 HydrophobicContact CG1-CD2 4.13Å; V44-L234 HydrophobicContact CG2-CD2 4.05Å; I192-L234 HydrophobicContact CD1-CB 4.44Å; Y197-L234 HydrophobicContact CE2-CD1 4.13Å; Y197-L234 WeakPolarHBondContact OH-CD1 3.21Å; Y219-L234 HydrophobicContact CE1-CD1 3.84Å; F223-L234 HydrophobicContact CE2-CD1 4.31Å; F223-L234 HydrophobicContact CZ-CD1 4.18Å; A230-L234 PolarHBondContact O-N 3.16Å; H231-L234 PolarHBondContact O-N 3.17Å; L234-S236 PolarHBondContact O-N 2.95Å; L234-N237 WeakPolarHBondContact O-CB 3.27Å; L234-N237 PolarHBondContact O-N 3.31Å; L234-A238 PolarHBondContact O-N 2.95Å; L234-A238 VanDerWaalsContact O-N 3.11Å
235F97.1Very high91.7Very high49 Ų4948.5 Ų48.522%0.21525%0.248CC..Hα-helixtrans-57.9-47.5173.2171.7-97000111.6D186 H188 V189 H231 V233 N237 A238 V239D186-F235 VanDerWaalsContact OD2-CE2 3.27Å; D186-F235 WeakPolarHBondContact OD2-CE2 3.48Å; H188-F235 HydrophobicContact CB-CD2 4.1Å; H188-F235 HydrophobicContact CB-CE2 4.08Å; H188-F235 AromaticContact CD2-CE2 3.99Å; V189-F235 HydrophobicContact CG2-CD2 3.98Å; H231-F235 WeakPolarHBondContact O-CB 3.26Å; H231-F235 PolarHBondContact O-N 3.36Å; V233-F235 PolarHBondContact O-N 3.05Å; F235-N237 VanDerWaalsContact C-N 3.26Å; F235-N237 PolarHBondContact O-N 3Å; F235-A238 PolarHBondContact O-N 3.4Å; F235-A238 VanDerWaalsContact O-N 3.08Å; F235-V239 HydrophobicContact CD1-CG1 4.49Å; F235-V239 HydrophobicContact CD1-CG2 4.46Å; F235-V239 HydrophobicContact CD2-CG1 4.16Å; F235-V239 HydrophobicContact CE1-CG1 3.97Å; F235-V239 HydrophobicContact CE1-CG2 4.11Å; F235-V239 HydrophobicContact CE2-CG1 3.59Å; F235-V239 HydrophobicContact CZ-CG1 3.49Å; F235-V239 VanDerWaalsContact CZ-CG1 3.49Å; F235-V239 HydrophobicContact CZ-CG2 4.45Å; F235-V239 WeakPolarHBondContact O-CG2 3.3Å; F235-V239 PolarHBondContact O-N 3.34Å
236S96.7Very high91.4Very high27 Ų2740.1 Ų40.119%0.18922%0.22CC..Hα-helixtrans-58.5-40.5179.4-630000111.4S232 V233 L234 V239 T240S232-S236 VanDerWaalsContact O-CB 3.27Å; S232-S236 WeakPolarHBondContact O-CB 3.32Å; S232-S236 PolarHBondContact O-N 2.93Å; S232-S236 PolarHBondContact O-OG 3.42Å; V233-S236 WeakPolarHBondContact O-CB 3.46Å; V233-S236 PolarHBondContact O-N 3.36Å; L234-S236 PolarHBondContact O-N 2.95Å; S236-V239 WeakPolarHBondContact O-CG2 3.47Å; S236-T240 WeakPolarHBondContact O-CB 3.38Å; S236-T240 VanDerWaalsContact O-CG2 3.3Å; S236-T240 WeakPolarHBondContact O-CG2 3.44Å; S236-T240 PolarHBondContact O-N 3.28Å; S236-T240 VanDerWaalsContact O-N 3.08Å; S236-T240 PolarHBondContact O-OG1 2.71Å
237N96.2Very high91Very high21 Ų2138.9 Ų38.911%0.11222%0.219CC..Hα-helixtrans-61.4-45.9174.3-17688.4000112.2V44 R47 L48 V233 L234 F235 T240 S241V44-N237 HydrophobicContact CG1-CB 3.46Å; V44-N237 VanDerWaalsContact CG1-CB 3.46Å; V44-N237 HydrophobicContact CG2-CB 4.45Å; R47-N237 PolarHBondContact NE-OD1 3.08Å; R47-N237 PolarHBondContact NH2-ND2 3.29Å; R47-N237 PolarHBondContact NH2-OD1 3.49Å; L48-N237 HydrophobicContact CD1-CB 3.72Å; V233-N237 PolarHBondContact O-N 2.98Å; L234-N237 WeakPolarHBondContact O-CB 3.27Å; L234-N237 PolarHBondContact O-N 3.31Å; F235-N237 VanDerWaalsContact C-N 3.26Å; F235-N237 PolarHBondContact O-N 3Å; N237-T240 PolarHBondContact O-N 3.39Å; N237-T240 PolarHBondContact O-OG1 2.99Å; N237-S241 VanDerWaalsContact O-CB 3.23Å; N237-S241 WeakPolarHBondContact O-CB 3.44Å; N237-S241 PolarHBondContact O-N 2.97Å; N237-S241 PolarHBondContact O-OG 3.12Å
238A94.8Very high90.6Very high18 Ų1841.4 Ų41.415%0.14923%0.233CC..Hα-helixtrans-64.2-42.6-179.400000112.7I192 L234 F235 S242I192-A238 HydrophobicContact CD1-CB 3.65Å; I192-A238 HydrophobicContact CG1-CB 4.02Å; L234-A238 PolarHBondContact O-N 2.95Å; L234-A238 VanDerWaalsContact O-N 3.11Å; F235-A238 PolarHBondContact O-N 3.4Å; F235-A238 VanDerWaalsContact O-N 3.08Å; A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 2.87Å; A238-S242 PolarHBondContact O-OG 3.32Å
239V92.2Very high90Very high29 Ų2944.1 Ų44.118%0.17625%0.248CC..Hα-helixtrans-77.8-21.3-178.4-58.80000113.9I73 F235 S236I73-V239 HydrophobicContact CD1-CB 4.14Å; I73-V239 HydrophobicContact CD1-CG1 4.09Å; F235-V239 HydrophobicContact CD1-CG1 4.49Å; F235-V239 HydrophobicContact CD1-CG2 4.46Å; F235-V239 HydrophobicContact CD2-CG1 4.16Å; F235-V239 HydrophobicContact CE1-CG1 3.97Å; F235-V239 HydrophobicContact CE1-CG2 4.11Å; F235-V239 HydrophobicContact CE2-CG1 3.59Å; F235-V239 HydrophobicContact CZ-CG1 3.49Å; F235-V239 VanDerWaalsContact CZ-CG1 3.49Å; F235-V239 HydrophobicContact CZ-CG2 4.45Å; F235-V239 WeakPolarHBondContact O-CG2 3.3Å; F235-V239 PolarHBondContact O-N 3.34Å; S236-V239 WeakPolarHBondContact O-CG2 3.47Å
240T89Confident89.4Confident75 Ų7546.9 Ų46.946%0.4626%0.264SS..Hα-helixtrans-88.8-34175.852.40000112.7S236 N237 S242S236-T240 WeakPolarHBondContact O-CB 3.38Å; S236-T240 VanDerWaalsContact O-CG2 3.3Å; S236-T240 WeakPolarHBondContact O-CG2 3.44Å; S236-T240 PolarHBondContact O-N 3.28Å; S236-T240 VanDerWaalsContact O-N 3.08Å; S236-T240 PolarHBondContact O-OG1 2.71Å; N237-T240 PolarHBondContact O-N 3.39Å; N237-T240 PolarHBondContact O-OG1 2.99Å; T240-S242 VanDerWaalsContact C-N 3.28Å; T240-S242 PolarHBondContact O-N 2.94Å
241S81Confident88.7Confident77 Ų7750.5 Ų50.554%0.53828%0.284SS..Hα-helixtrans-77.1-12.6177.4-51.30000113.5N237 K243N237-S241 VanDerWaalsContact O-CB 3.23Å; N237-S241 WeakPolarHBondContact O-CB 3.44Å; N237-S241 PolarHBondContact O-N 2.97Å; N237-S241 PolarHBondContact O-OG 3.12Å; S241-K243 PolarHBondContact O-N 3.07Å
242S62.2Low87.9Confident92 Ų9253.9 Ų53.964%0.64331%0.305SS*.THydrogen-bonded Turntrans-83.77.6176.9-59.80000113.8A238 T240A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 2.87Å; A238-S242 PolarHBondContact O-OG 3.32Å; T240-S242 VanDerWaalsContact C-N 3.28Å; T240-S242 PolarHBondContact O-N 2.94Å
243K51.3Low87Confident239 Ų23957.3 Ų57.3100%1.03932%0.322SS*.  trans-104.10175.2-69.6-175.2179.5-179.50110S241S241-K243 PolarHBondContact O-N 3.07Å

Retrieved 243 of 243 residues in 879.6 ms (Link to these results)

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