A0A077ZJ95_TRITR Loading...

SeqA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 181 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
1M74.2Confident93.5Very high230 Ų230142 Ų142100%1.13370%0.7SS**  0134.10-171.8176.2-88.500107.7
2K90.2Very high93.8Very high201 Ų201136.2 Ų136.287%0.87468%0.684SS**  trans-95.4148.3170-67.2-174.4-179.8-178.80108.3
3T92.1Very high94.1Very high132 Ų132135.5 Ų135.581%0.8167%0.67SS**  trans-105139.4-179.2-52.10000109.8
4I95Very high94.3Very high128 Ų128127.2 Ų127.266%0.65663%0.629SS**  trans-127.5149.8169.761.8173.8000107.9
5E95.5Very high94.4Very high193 Ų193121.5 Ų121.590%0.90261%0.61SS**  trans-101.1141.1173.7-65.1-177.8173.900109.4
6V96Very high94.5Very high59 Ų59119.5 Ų119.536%0.35861%0.611SS.*  trans-135.4152.5175.4-65.70000107.8L10V6-L10 HydrophobicContact CB-CB 4.34Å; V6-L10 HydrophobicContact CB-CD2 3.89Å; V6-L10 HydrophobicContact CB-CG 4.15Å; V6-L10 HydrophobicContact CG1-CD2 3.73Å; V6-L10 HydrophobicContact CG1-CG 4.28Å
7D97.8Very high94.7Very high91 Ų91116.2 Ų116.249%0.48759%0.592SS.*  trans-71.6164.6173.46183.2000112.1E9 L10 Y11D7-E9 VanDerWaalsContact C-N 3.27Å; D7-E9 PolarHBondContact O-N 2.78Å; D7-E9 WeakPolarHBondContact OD1-CB 3.37Å; D7-E9 PolarHBondContact OD1-N 3.03Å; D7-E9 VanDerWaalsContact OD1-N 3.17Å; D7-L10 PolarHBondContact O-N 3.17Å; D7-L10 WeakPolarHBondContact OD1-CB 3.4Å; D7-L10 PolarHBondContact OD1-N 3.32Å; D7-Y11 WeakPolarHBondContact O-CB 3.36Å; D7-Y11 PolarHBondContact O-N 2.87Å
8D96.1Very high94.7Very high140 Ų140113.8 Ų113.875%0.74958%0.584SS**Hα-helixtrans-63.1-31.5-175.1-69.9-20000113.2S12D8-S12 WeakPolarHBondContact O-CB 3.48Å; D8-S12 PolarHBondContact O-N 2.83Å; D8-S12 PolarHBondContact O-OG 2.97Å
9E97.4Very high94.7Very high162 Ų162116 Ų11676%0.75759%0.589SS**Hα-helixtrans-70.7-48.6178.3-175.8178.5-177.200110D7 Y11 S12 Y13D7-E9 VanDerWaalsContact C-N 3.27Å; D7-E9 PolarHBondContact O-N 2.78Å; D7-E9 WeakPolarHBondContact OD1-CB 3.37Å; D7-E9 PolarHBondContact OD1-N 3.03Å; D7-E9 VanDerWaalsContact OD1-N 3.17Å; E9-Y11 VanDerWaalsContact C-N 3.35Å; E9-Y11 PolarHBondContact O-N 3.47Å; E9-S12 PolarHBondContact O-N 3.31Å; E9-Y13 WeakPolarHBondContact O-CB 3.3Å; E9-Y13 PolarHBondContact O-N 3.25Å
10L97.2Very high94.5Very high70 Ų70112.4 Ų112.437%0.36657%0.57SS.*Hα-helixtrans-63.3-39.6175.6-17956.5000111.9V6 D7 Y13 I14V6-L10 HydrophobicContact CB-CB 4.34Å; V6-L10 HydrophobicContact CB-CD2 3.89Å; V6-L10 HydrophobicContact CB-CG 4.15Å; V6-L10 HydrophobicContact CG1-CD2 3.73Å; V6-L10 HydrophobicContact CG1-CG 4.28Å; D7-L10 PolarHBondContact O-N 3.17Å; D7-L10 WeakPolarHBondContact OD1-CB 3.4Å; D7-L10 PolarHBondContact OD1-N 3.32Å; L10-Y13 HydrophobicContact CD1-CD1 4.48Å; L10-Y13 PolarHBondContact O-N 2.88Å; L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.21Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 2.9Å
11Y97Very high94.2Very high156 Ų156110.3 Ų110.361%0.61256%0.559SS**Hα-helixtrans-57.5-50.1173.3176.4-93.2000111.3D7 E9 Y13 I14 A15D7-Y11 WeakPolarHBondContact O-CB 3.36Å; D7-Y11 PolarHBondContact O-N 2.87Å; E9-Y11 VanDerWaalsContact C-N 3.35Å; E9-Y11 PolarHBondContact O-N 3.47Å; Y11-Y13 VanDerWaalsContact C-N 3.29Å; Y11-Y13 PolarHBondContact O-N 3.26Å; Y11-I14 PolarHBondContact O-N 3.32Å; Y11-A15 WeakPolarHBondContact O-CB 3.46Å; Y11-A15 PolarHBondContact O-N 3.4Å
12S96.6Very high94.8Very high72 Ų72100.7 Ų100.750%0.50352%0.52SS..Hα-helixtrans-61.4-39.3179.2-60.40000111.6D8 E9 A15 S16D8-S12 WeakPolarHBondContact O-CB 3.48Å; D8-S12 PolarHBondContact O-N 2.83Å; D8-S12 PolarHBondContact O-OG 2.97Å; E9-S12 PolarHBondContact O-N 3.31Å; S12-A15 PolarHBondContact O-N 2.9Å; S12-S16 PolarHBondContact O-N 3.42Å
13Y97.8Very high94.8Very high128 Ų12892.1 Ų92.150%0.50248%0.482SS..Hα-helixtrans-64.8-44.5175.6-174.7-107.6000112.5E9 L10 Y11 S16 H17 M32E9-Y13 WeakPolarHBondContact O-CB 3.3Å; E9-Y13 PolarHBondContact O-N 3.25Å; L10-Y13 HydrophobicContact CD1-CD1 4.48Å; L10-Y13 PolarHBondContact O-N 2.88Å; Y11-Y13 VanDerWaalsContact C-N 3.29Å; Y11-Y13 PolarHBondContact O-N 3.26Å; Y13-S16 PolarHBondContact O-N 3.48Å; Y13-S16 PolarHBondContact O-OG 2.76Å; Y13-H17 AromaticContact CD2-CE1 3.97Å; Y13-H17 AromaticContact CE1-CE1 3.89Å; Y13-H17 AromaticContact CE2-CE1 3.5Å; Y13-H17 AromaticContact CZ-CE1 3.44Å; Y13-H17 VanDerWaalsContact CZ-CE1 3.44Å; Y13-H17 PolarHBondContact O-ND1 3.4Å; Y13-M32 HydrophobicContact CD1-CE 3.72Å; Y13-M32 HydrophobicContact CE1-CE 3.24Å
14I96.7Very high94.8Very high19 Ų1987.9 Ų87.910%0.09746%0.458CS..Hα-helixtrans-63.9-44.9175.3-65.2163.5000109.7L10 Y11 S16 H17 I28 L29L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.21Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.46Å; L10-I14 PolarHBondContact O-N 2.9Å; Y11-I14 PolarHBondContact O-N 3.32Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.36Å; I14-H17 WeakPolarHBondContact O-CB 3.47Å; I14-H17 PolarHBondContact O-N 3.14Å; I14-H17 VanDerWaalsContact O-N 3.07Å; I14-I28 HydrophobicContact CG2-CB 4.33Å; I14-I28 HydrophobicContact CG2-CG2 3.87Å; I14-L29 HydrophobicContact CD1-CD2 3.86Å; I14-L29 HydrophobicContact CG1-CD2 4Å
15A96.1Very high94.8Very high42 Ų4284.7 Ų84.735%0.34745%0.451SS..Hα-helixtrans-60.7-38.9-179.300000112.6Y11 S12 H17 T18Y11-A15 WeakPolarHBondContact O-CB 3.46Å; Y11-A15 PolarHBondContact O-N 3.4Å; S12-A15 PolarHBondContact O-N 2.9Å; A15-H17 PolarHBondContact O-N 2.74Å; A15-H17 VanDerWaalsContact O-N 3.15Å; A15-T18 WeakPolarHBondContact O-CB 3.39Å; A15-T18 PolarHBondContact O-N 2.96Å; A15-T18 VanDerWaalsContact O-N 3.14Å; A15-T18 PolarHBondContact O-OG1 3.07Å
16S96.7Very high94.6Very high89 Ų8978.8 Ų78.862%0.62243%0.431SS*.THydrogen-bonded Turntrans-65.1-14.9177.6790000113.9S12 Y13 I14S12-S16 PolarHBondContact O-N 3.42Å; Y13-S16 PolarHBondContact O-N 3.48Å; Y13-S16 PolarHBondContact O-OG 2.76Å; I14-S16 VanDerWaalsContact C-N 3.32Å; I14-S16 PolarHBondContact O-N 3.36Å
17H96.8Very high94.4Very high64 Ų6479 Ų7930%0.29643%0.43SS..THydrogen-bonded Turntrans-93.76.4177.4-72.277000113.8Y13 I14 A15 K19 I28 R31 M32Y13-H17 AromaticContact CD2-CE1 3.97Å; Y13-H17 AromaticContact CE1-CE1 3.89Å; Y13-H17 AromaticContact CE2-CE1 3.5Å; Y13-H17 AromaticContact CZ-CE1 3.44Å; Y13-H17 VanDerWaalsContact CZ-CE1 3.44Å; Y13-H17 PolarHBondContact O-ND1 3.4Å; I14-H17 WeakPolarHBondContact O-CB 3.47Å; I14-H17 PolarHBondContact O-N 3.14Å; I14-H17 VanDerWaalsContact O-N 3.07Å; A15-H17 PolarHBondContact O-N 2.74Å; A15-H17 VanDerWaalsContact O-N 3.15Å; H17-K19 PolarHBondContact O-N 3.15Å; H17-I28 HydrophobicContact CB-CG2 3.81Å; H17-R31 PolarHBondContact O-NH2 2.8Å; H17-M32 HydrophobicContact CB-CE 4.49Å; H17-M32 HydrophobicContact CB-CG 4.29Å; H17-M32 HydrophobicContact CB-SD 3.73Å
18T95.5Very high94.3Very high72 Ų7275 Ų7544%0.44241%0.408SS..  trans-62.9125.5173.5-54.30000110.1A15 H20 I28A15-T18 WeakPolarHBondContact O-CB 3.39Å; A15-T18 PolarHBondContact O-N 2.96Å; A15-T18 VanDerWaalsContact O-N 3.14Å; A15-T18 PolarHBondContact O-OG1 3.07Å; T18-H20 WeakPolarHBondContact CG2-O 3.21Å; T18-I28 WeakPolarHBondContact OG1-CD1 3.49Å
19K93.6Very high94.3Very high156 Ų15670.7 Ų70.768%0.67839%0.385SS*.  trans-103-32.2-178.9-72.9-171.2-177.7-172.40113.7H17 E23H17-K19 PolarHBondContact O-N 3.15Å; K19-E23 PolarHBondContact N-OE2 3.11Å; K19-E23 VanDerWaalsContact N-OE2 3.09Å
20H91Very high94.1Very high44 Ų4469 Ų6920%0.20437%0.372CS..SBendtrans-141.7164.6-17754.3-94.4000112.1T18 E23 H114T18-H20 WeakPolarHBondContact CG2-O 3.21Å; H20-E23 IonicContact CE1-OE1 2.61Å; H20-E23 IonicContact CE1-OE2 3.01Å; H20-E23 IonicContact ND1-OE2 2.83Å; H20-H114 VanDerWaalsContact CB-NE2 3.28Å; H20-H114 WeakPolarHBondContact CB-NE2 3.25Å
21I88.9Confident93.9Very high68 Ų6869 Ų6935%0.34937%0.367SS..THydrogen-bonded Turntrans-67.4133.6-175.5-173.762.4000111.5E23 H114I21-E23 PolarHBondContact O-N 3.47Å; I21-H114 HydrophobicContact CG2-CB 4.24Å
22G87.4Confident93.8Very high29 Ų2964.3 Ų64.330%0.29935%0.351SS..THydrogen-bonded Turntrans75.96.1174.300000115.1S24 N131G22-S24 PolarHBondContact O-N 3.24Å; G22-N131 WeakPolarHBondContact CA-OD1 3.36Å
23E90.5Very high93.8Very high20 Ų2067 Ų679%0.09336%0.36CS..  trans-56.3132172.1-169.4177.9-174.700110.7K19 H20 I21 D27 I28 R31K19-E23 PolarHBondContact N-OE2 3.11Å; K19-E23 VanDerWaalsContact N-OE2 3.09Å; H20-E23 IonicContact CE1-OE1 2.61Å; H20-E23 IonicContact CE1-OE2 3.01Å; H20-E23 IonicContact ND1-OE2 2.83Å; I21-E23 PolarHBondContact O-N 3.47Å; E23-D27 HydrophobicContact CG-CB 3.73Å; E23-I28 HydrophobicContact CG-CG1 3.87Å; E23-I28 PolarHBondContact OE1-N 3.17Å; E23-R31 IonicContact OE1-CZ 2.6Å; E23-R31 IonicContact OE1-NH1 2.68Å; E23-R31 PolarHBondContact OE1-NH1 3.41Å; E23-R31 IonicContact OE1-NH2 3.98Å; E23-R31 PolarHBondContact OE1-NH2 3.32Å; E23-R31 IonicContact OE2-CZ 3.39Å; E23-R31 IonicContact OE2-NH1 3.88Å; E23-R31 PolarHBondContact OE2-NH1 3.02Å; E23-R31 IonicContact OE2-NH2 3.78Å; E23-R31 PolarHBondContact OE2-NH2 2.97Å
24S92Very high93.5Very high44 Ų4469.3 Ų69.331%0.30837%0.372SS..  trans-79155.1179.981.50000111.4G22 S26 D27 I28G22-S24 PolarHBondContact O-N 3.24Å; S24-S26 PolarHBondContact O-N 3.44Å; S24-S26 VanDerWaalsContact O-N 3.11Å; S24-S26 PolarHBondContact OG-N 3.31Å; S24-D27 VanDerWaalsContact CB-OD2 3.26Å; S24-D27 WeakPolarHBondContact CB-OD2 3.36Å; S24-D27 PolarHBondContact N-OD2 3.42Å; S24-D27 VanDerWaalsContact N-OD2 3.09Å; S24-D27 PolarHBondContact O-N 3.09Å; S24-D27 PolarHBondContact OG-N 3.39Å; S24-D27 PolarHBondContact OG-OD1 3.09Å; S24-D27 PolarHBondContact OG-OD2 2.83Å; S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 2.79Å; S24-I28 VanDerWaalsContact O-N 3.09Å
25A93.4Very high93Very high61 Ų6173.3 Ų73.350%0.50439%0.389SS..Hα-helixtrans-55.5-30.4171.500000112.2L29A25-L29 WeakPolarHBondContact O-CB 3.47Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.6Å
26S92.8Very high91.6Very high68 Ų6874.5 Ų74.548%0.47640%0.395SS..Hα-helixtrans-67.4-39.4176.1-59.40000111.9S24 L29 R30S24-S26 PolarHBondContact O-N 3.44Å; S24-S26 VanDerWaalsContact O-N 3.11Å; S24-S26 PolarHBondContact OG-N 3.31Å; S26-L29 PolarHBondContact O-N 2.92Å; S26-R30 WeakPolarHBondContact O-CB 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.5Å; S26-R30 PolarHBondContact O-N 2.85Å
27D92.2Very high89.8Confident63 Ų6375.3 Ų75.334%0.33741%0.407SS..Hα-helixtrans-70-43.2-179.8-54.1-38.5000110.6E23 S24 L29 R30 R31E23-D27 HydrophobicContact CG-CB 3.73Å; S24-D27 VanDerWaalsContact CB-OD2 3.26Å; S24-D27 WeakPolarHBondContact CB-OD2 3.36Å; S24-D27 PolarHBondContact N-OD2 3.42Å; S24-D27 VanDerWaalsContact N-OD2 3.09Å; S24-D27 PolarHBondContact O-N 3.09Å; S24-D27 PolarHBondContact OG-N 3.39Å; S24-D27 PolarHBondContact OG-OD1 3.09Å; S24-D27 PolarHBondContact OG-OD2 2.83Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 2.97Å; D27-R30 PolarHBondContact O-N 3.11Å; D27-R31 WeakPolarHBondContact O-CB 3.43Å; D27-R31 PolarHBondContact O-N 2.91Å
28I94.8Very high87.7Confident7 Ų776.6 Ų76.64%0.03643%0.429CS..Hα-helixtrans-56.9-49.9173.9-59.7170.6000110I14 H17 T18 E23 S24 R31 M32I14-I28 HydrophobicContact CG2-CB 4.33Å; I14-I28 HydrophobicContact CG2-CG2 3.87Å; H17-I28 HydrophobicContact CB-CG2 3.81Å; T18-I28 WeakPolarHBondContact OG1-CD1 3.49Å; E23-I28 HydrophobicContact CG-CG1 3.87Å; E23-I28 PolarHBondContact OE1-N 3.17Å; S24-I28 WeakPolarHBondContact O-CG1 3.26Å; S24-I28 PolarHBondContact O-N 2.79Å; S24-I28 VanDerWaalsContact O-N 3.09Å; I28-R31 PolarHBondContact O-N 3.47Å; I28-M32 HydrophobicContact CG2-CG 4.36Å; I28-M32 HydrophobicContact CG2-SD 3.72Å; I28-M32 VanDerWaalsContact O-CG 3.31Å; I28-M32 WeakPolarHBondContact O-CG 3.22Å; I28-M32 PolarHBondContact O-N 3.3Å
29L95.5Very high85.4Confident50 Ų5077 Ų7726%0.26243%0.434SS..Hα-helixtrans-64.4-43-179.8-74.4173.3000112.4I14 A25 S26 D27 R31 M32 L33I14-L29 HydrophobicContact CD1-CD2 3.86Å; I14-L29 HydrophobicContact CG1-CD2 4Å; A25-L29 WeakPolarHBondContact O-CB 3.47Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.6Å; S26-L29 PolarHBondContact O-N 2.92Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 2.97Å; L29-R31 VanDerWaalsContact C-N 3.28Å; L29-R31 PolarHBondContact O-N 2.87Å; L29-M32 PolarHBondContact O-N 3.38Å; L29-L33 VanDerWaalsContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.28Å
30R93.6Very high83.2Confident127 Ų12776.4 Ų76.448%0.47943%0.434SS..Hα-helixtrans-58.9-42176-76.2172.6-172.6-71.2-2.9111.5S26 D27 K34 F35S26-R30 WeakPolarHBondContact O-CB 3.31Å; S26-R30 WeakPolarHBondContact O-CG 3.5Å; S26-R30 PolarHBondContact O-N 2.85Å; D27-R30 PolarHBondContact O-N 3.11Å; R30-K34 PolarHBondContact O-N 3.19Å; R30-K34 VanDerWaalsContact O-N 3.11Å; R30-F35 HydrophobicContact CG-CD1 4.49Å; R30-F35 VanDerWaalsContact NH1-CD1 3.27Å; R30-F35 PolarHBondContact O-N 3.34Å
31R93.8Very high80.9Confident70 Ų7079.9 Ų79.926%0.26446%0.46SS..Hα-helixtrans-63.7-50.1175.1176.2171.261.3-124.1-1.9112H17 E23 D27 I28 L29 L33 K34H17-R31 PolarHBondContact O-NH2 2.8Å; E23-R31 IonicContact OE1-CZ 2.6Å; E23-R31 IonicContact OE1-NH1 2.68Å; E23-R31 PolarHBondContact OE1-NH1 3.41Å; E23-R31 IonicContact OE1-NH2 3.98Å; E23-R31 PolarHBondContact OE1-NH2 3.32Å; E23-R31 IonicContact OE2-CZ 3.39Å; E23-R31 IonicContact OE2-NH1 3.88Å; E23-R31 PolarHBondContact OE2-NH1 3.02Å; E23-R31 IonicContact OE2-NH2 3.78Å; E23-R31 PolarHBondContact OE2-NH2 2.97Å; D27-R31 WeakPolarHBondContact O-CB 3.43Å; D27-R31 PolarHBondContact O-N 2.91Å; I28-R31 PolarHBondContact O-N 3.47Å; L29-R31 VanDerWaalsContact C-N 3.28Å; L29-R31 PolarHBondContact O-N 2.87Å; R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 2.86Å; R31-K34 PolarHBondContact O-N 3.46Å
32M94.4Very high78.5Confident57 Ų5781.5 Ų81.528%0.28148%0.484SS..Hα-helixtrans-62.7-41.7-178.1-71.2174.273.300112.1Y13 H17 I28 L29 K34Y13-M32 HydrophobicContact CD1-CE 3.72Å; Y13-M32 HydrophobicContact CE1-CE 3.24Å; H17-M32 HydrophobicContact CB-CE 4.49Å; H17-M32 HydrophobicContact CB-CG 4.29Å; H17-M32 HydrophobicContact CB-SD 3.73Å; I28-M32 HydrophobicContact CG2-CG 4.36Å; I28-M32 HydrophobicContact CG2-SD 3.72Å; I28-M32 VanDerWaalsContact O-CG 3.31Å; I28-M32 WeakPolarHBondContact O-CG 3.22Å; I28-M32 PolarHBondContact O-N 3.3Å; L29-M32 PolarHBondContact O-N 3.38Å; M32-K34 VanDerWaalsContact C-N 3.25Å; M32-K34 PolarHBondContact O-N 2.62Å
33L96.2Very high76.4Confident129 Ų12984.1 Ų84.168%0.67550%0.503SS*.THydrogen-bonded Turntrans-83.20.9-179.2-61.1174.8000113.3L29 R31 F35L29-L33 VanDerWaalsContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CB 3.28Å; L29-L33 VanDerWaalsContact O-CG 3.25Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.28Å; R31-L33 VanDerWaalsContact C-N 3.35Å; R31-L33 PolarHBondContact O-N 2.86Å; L33-F35 HydrophobicContact CB-CB 4.43Å; L33-F35 PolarHBondContact O-N 3.49Å; L33-F35 VanDerWaalsContact O-N 3.17Å
34K92.6Very high74.1Confident177 Ų17788.9 Ų88.977%0.7754%0.536SS*.THydrogen-bonded Turntrans51.535.4-174.3-57.2178.8-179.5177.70112.4R30 R31 M32 S36R30-K34 PolarHBondContact O-N 3.19Å; R30-K34 VanDerWaalsContact O-N 3.11Å; R31-K34 PolarHBondContact O-N 3.46Å; M32-K34 VanDerWaalsContact C-N 3.25Å; M32-K34 PolarHBondContact O-N 2.62Å; K34-S36 PolarHBondContact O-N 3.09Å; K34-S36 VanDerWaalsContact O-N 3.17Å
35F85Confident72Confident102 Ų10293.9 Ų93.945%0.44756%0.564SS.*  trans-86.285.9-179.7-165.1-84.8000109.3R30 L33R30-F35 HydrophobicContact CG-CD1 4.49Å; R30-F35 VanDerWaalsContact NH1-CD1 3.27Å; R30-F35 PolarHBondContact O-N 3.34Å; L33-F35 HydrophobicContact CB-CB 4.43Å; L33-F35 PolarHBondContact O-N 3.49Å; L33-F35 VanDerWaalsContact O-N 3.17Å
36S66.7Low69.3Low68 Ų6897 Ų9748%0.47658%0.577SS.*  trans-100.1143.2169.3179.80000110.1K34 A38 S39K34-S36 PolarHBondContact O-N 3.09Å; K34-S36 VanDerWaalsContact O-N 3.17Å; S36-A38 PolarHBondContact O-N 3.33Å; S36-S39 PolarHBondContact O-N 3.49Å
37A59.4Low66.9Low105 Ų105102.2 Ų102.287%0.86859%0.591SS**THydrogen-bonded Turntrans-57.2-17.3176.500000113.1
38A52.9Low64.5Low91 Ų91107.1 Ų107.175%0.75261%0.612SS**THydrogen-bonded Turntrans-87.1-4.4177.700000115S36S36-A38 PolarHBondContact O-N 3.33Å
39S46Very low62Low81 Ų81113.1 Ų113.157%0.56665%0.648SS**  trans-113.622.7-169.3-54.30000115.4S36 P41S36-S39 PolarHBondContact O-N 3.49Å; S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.26Å
40Q47.3Very low59.2Low144 Ų144121.6 Ų121.667%0.67368%0.677SS**  trans-94.3112.5169.5-75.5-171-11.100111.6
41P43.1Very low56.5Low116 Ų116121.7 Ų121.775%0.75369%0.692SS**  trans-66.2125.1144.7-2.519.6000107.1S39 A43S39-P41 VanDerWaalsContact O-CD 3.25Å; S39-P41 WeakPolarHBondContact O-CD 3.26Å; P41-A43 PolarHBondContact O-N 3.41Å
42A38.3Very low54Low102 Ų102122.6 Ų122.684%0.84371%0.714SS**  trans-59.797.4171.300000109.5
43A44.3Very low51.5Low84 Ų84125.2 Ų125.269%0.69474%0.738SS**  trans-85.8128.7166.800000108.5P41 V45P41-A43 PolarHBondContact O-N 3.41Å; A43-V45 PolarHBondContact O-N 3.45Å
44P41.4Very low48.9Very low121 Ų121125 Ų12579%0.78674%0.744SS**  trans-79.9122.1-174.231.7-30.8000109.6T46P44-T46 PolarHBondContact O-N 3.17Å
45V48.3Very low46.4Very low148 Ų148120.7 Ų120.790%0.89774%0.741SS**  trans-89.8101.1163.3-166.70000107.1A43 K47A43-V45 PolarHBondContact O-N 3.45Å; V45-K47 PolarHBondContact O-N 3.44Å
46T37.5Very low44.4Very low127 Ų127123.1 Ų123.178%0.77976%0.757SS**  trans-66.3110.916810.70000109.6P44P44-T46 PolarHBondContact O-N 3.17Å
47K42.5Very low43.3Very low177 Ų177126.5 Ų126.577%0.7778%0.775SS**  174.6112.6127.7-100.3175.6173.6-177.50112.7V45V45-K47 PolarHBondContact O-N 3.44Å
48E40.7Very low42.3Very low167 Ų167129.7 Ų129.778%0.7877%0.772SS**  trans69.6131.4135.5-65.3178.1160.800121.3
49V42.2Very low42Very low132 Ų132129.9 Ų129.980%0.877%0.773SS**  trans93.584.5159-159.50000117.8
50R37.2Very low42.5Very low228 Ų228134.9 Ų134.986%0.8679%0.785SS**  63.6122.6118.2-131.3-175171.5173.6-3.8119.2
51V36.9Very low43.2Very low130 Ų130133.7 Ų133.779%0.78879%0.79SS**  trans93.6125.5150.1-157.60000117.8
52A41.8Very low44.2Very low88 Ų88132.8 Ų132.873%0.72778%0.782SS**  trans87.198.5159.200000119.1
53S41.9Very low46.2Very low113 Ų113132.4 Ų132.479%0.7976%0.761SS**  trans43.7114.2139.1-59.70000119.9A55S53-A55 PolarHBondContact O-N 2.99Å
54P41.5Very low48.5Very low125 Ų125132.1 Ų132.181%0.81275%0.751SS**  trans-79.599.7154.831.5-23000107.7I56P54-I56 PolarHBondContact O-N 3.02Å
55A40.4Very low50.9Low85 Ų85129.7 Ų129.770%0.70273%0.73SS**  trans-60.4110.5159.300000107.1S53 V57S53-A55 PolarHBondContact O-N 2.99Å; A55-V57 PolarHBondContact O-N 2.87Å
56I43.3Very low53.1Low154 Ų154130.8 Ų130.879%0.7972%0.723SS**  trans-54.3108.3171.3-63163.8000106.3P54 E58P54-I56 PolarHBondContact O-N 3.02Å; I56-E58 VanDerWaalsContact C-N 3.29Å; I56-E58 PolarHBondContact O-N 3.27Å
57V43.6Very low55.9Low139 Ų139128.1 Ų128.184%0.84270%0.704SS**  trans-72.694.8171.8-161.40000105.2A55 A59A55-V57 PolarHBondContact O-N 2.87Å; V57-A59 PolarHBondContact O-N 3.32Å
58E37.5Very low58.5Low172 Ų172120.2 Ų120.280%0.80467%0.67SS**  trans-54.4103171.4-80.8-177.9143.400108.6I56 K60I56-E58 VanDerWaalsContact C-N 3.29Å; I56-E58 PolarHBondContact O-N 3.27Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 3.19Å
59A47Very low61.2Low95 Ų95113 Ų11379%0.78564%0.637SS**  trans-61.9101.1162.400000106.7V57V57-A59 PolarHBondContact O-N 3.32Å
60K56.2Low63.9Low186 Ų186114.1 Ų114.181%0.80963%0.627SS**PPolyproline II helixtrans-49.1128.6172.3-77.5-179.9177.6175.20107.9E58 V62E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 3.19Å; K60-V62 PolarHBondContact O-N 3.19Å; K60-V62 VanDerWaalsContact O-N 3.16Å
61P60.7Low66.8Low119 Ų119104.1 Ų104.177%0.77359%0.593SS**PPolyproline II helixtrans-57.5125.8177.822.5-31.1000108.5K63P61-K63 PolarHBondContact O-N 3.5Å; P61-K63 VanDerWaalsContact O-N 3.13Å
62V65.4Low69.7Low97 Ų9797.9 Ų97.959%0.58856%0.555SS**PPolyproline II helixtrans-57.8120.4176.2179.20000107.4K60 D102K60-V62 PolarHBondContact O-N 3.19Å; K60-V62 VanDerWaalsContact O-N 3.16Å; V62-D102 WeakPolarHBondContact CG1-OD2 3.33Å
63K80.5Confident72.4Confident93 Ų9399.9 Ų99.940%0.40454%0.544SS..PPolyproline II helixtrans-58.4139.1179.4-69.9179.8-179.6179.20109.4P61 D67 K68 L101P61-K63 PolarHBondContact O-N 3.5Å; P61-K63 VanDerWaalsContact O-N 3.13Å; K63-D67 HydrophobicContact CB-CB 3.97Å; K63-K68 HydrophobicContact CB-CG 4.09Å; K63-K68 VanDerWaalsContact O-CE 3.25Å; K63-K68 WeakPolarHBondContact O-CE 3.48Å; K63-L101 HydrophobicContact CD-CD2 3.72Å
64T91.6Very high75.1Confident79 Ų7999.3 Ų99.349%0.48553%0.529SS..PPolyproline II helixtrans-62.8158.8177.170.90000110.5K66 D67 K68T64-K66 PolarHBondContact O-N 3.32Å; T64-K66 VanDerWaalsContact O-N 3.14Å; T64-D67 WeakPolarHBondContact CB-OD2 3.39Å; T64-D67 PolarHBondContact N-OD2 2.81Å; T64-D67 WeakPolarHBondContact O-CB 3.25Å; T64-D67 PolarHBondContact O-N 3.12Å; T64-D67 PolarHBondContact OG1-N 3.37Å; T64-D67 PolarHBondContact OG1-OD2 3.12Å; T64-K68 WeakPolarHBondContact O-CG 3.4Å; T64-K68 PolarHBondContact O-N 3.25Å
65I93Very high77.8Confident69 Ų6994 Ų9435%0.35449%0.494SS..Hα-helixtrans-53.4-37.2175.2-65.1-64.9000111.2K68 V69 Q168I65-K68 HydrophobicContact CD1-CD 4.4Å; I65-K68 PolarHBondContact O-N 3.41Å; I65-V69 HydrophobicContact CG2-CG2 4.32Å; I65-V69 WeakPolarHBondContact O-CB 3.39Å; I65-V69 VanDerWaalsContact O-CG2 3.25Å; I65-V69 WeakPolarHBondContact O-CG2 3.26Å; I65-V69 PolarHBondContact O-N 2.76Å; I65-Q168 HydrophobicContact CD1-CB 4.03Å
66K94.5Very high80.5Confident171 Ų17191.9 Ų91.974%0.74347%0.47SS*.Hα-helixtrans-63.1-42.4176.4-171.5179.2178.7-177.40112.1T64 V69 R70T64-K66 PolarHBondContact O-N 3.32Å; T64-K66 VanDerWaalsContact O-N 3.14Å; K66-V69 PolarHBondContact O-N 3.36Å; K66-R70 WeakPolarHBondContact O-CB 3.49Å; K66-R70 PolarHBondContact O-N 3.4Å
67D95.9Very high83.1Confident72 Ų7291.7 Ų91.739%0.38547%0.47SS..Hα-helixtrans-68.7-38.6177.1-59.9-43.1000111.7K63 T64 R70 A71K63-D67 HydrophobicContact CB-CB 3.97Å; T64-D67 WeakPolarHBondContact CB-OD2 3.39Å; T64-D67 PolarHBondContact N-OD2 2.81Å; T64-D67 WeakPolarHBondContact O-CB 3.25Å; T64-D67 PolarHBondContact O-N 3.12Å; T64-D67 PolarHBondContact OG1-N 3.37Å; T64-D67 PolarHBondContact OG1-OD2 3.12Å; D67-R70 PolarHBondContact O-N 2.82Å; D67-A71 WeakPolarHBondContact O-CB 3.11Å; D67-A71 PolarHBondContact O-N 3.04Å
68K97.2Very high85.8Confident10 Ų1086.6 Ų86.64%0.04344%0.441CS..Hα-helixtrans-61.6-47.6173.9-65.8-177.5-177.31780111K63 T64 I65 R70 A71 M72 L101 D102 F169K63-K68 HydrophobicContact CB-CG 4.09Å; K63-K68 VanDerWaalsContact O-CE 3.25Å; K63-K68 WeakPolarHBondContact O-CE 3.48Å; T64-K68 WeakPolarHBondContact O-CG 3.4Å; T64-K68 PolarHBondContact O-N 3.25Å; I65-K68 HydrophobicContact CD1-CD 4.4Å; I65-K68 PolarHBondContact O-N 3.41Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 3.16Å; K68-A71 PolarHBondContact O-N 3.39Å; K68-M72 WeakPolarHBondContact O-CG 3.42Å; K68-M72 PolarHBondContact O-N 3.44Å; K68-L101 HydrophobicContact CB-CD1 4.24Å; K68-L101 HydrophobicContact CG-CB 4.27Å; K68-L101 HydrophobicContact CG-CD1 4.49Å; K68-D102 IonicContact NZ-OD2 2.76Å; K68-D102 PolarHBondContact NZ-OD2 3.39Å; K68-F169 HydrophobicContact CB-CE1 3.75Å; K68-F169 HydrophobicContact CB-CZ 3.77Å
69V97.6Very high88.6Confident15 Ų1584.4 Ų84.49%0.09144%0.435CS..Hα-helixtrans-59.4-43.5176.1165.20000111.1I65 K66 R73 F169 P170 L173I65-V69 HydrophobicContact CG2-CG2 4.32Å; I65-V69 WeakPolarHBondContact O-CB 3.39Å; I65-V69 VanDerWaalsContact O-CG2 3.25Å; I65-V69 WeakPolarHBondContact O-CG2 3.26Å; I65-V69 PolarHBondContact O-N 2.76Å; K66-V69 PolarHBondContact O-N 3.36Å; V69-R73 WeakPolarHBondContact O-CG 3.35Å; V69-R73 PolarHBondContact O-N 2.78Å; V69-R73 VanDerWaalsContact O-N 3.1Å; V69-F169 HydrophobicContact CG2-CD1 4.07Å; V69-F169 HydrophobicContact CG2-CE1 4.49Å; V69-P170 HydrophobicContact CG2-CG 3.94Å; V69-L173 HydrophobicContact CB-CD2 4.29Å; V69-L173 HydrophobicContact CG1-CD2 4.13Å; V69-L173 HydrophobicContact CG2-CD2 4.08Å
70R97.7Very high91.1Very high156 Ų15685.2 Ų85.259%0.58942%0.422SS*.Hα-helixtrans-60.5-49.2175.7179.1179.4172.8174.40.2111.4K66 D67 K68 M72 R73 E74K66-R70 WeakPolarHBondContact O-CB 3.49Å; K66-R70 PolarHBondContact O-N 3.4Å; D67-R70 PolarHBondContact O-N 2.82Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 3.16Å; R70-M72 VanDerWaalsContact C-N 3.34Å; R70-M72 PolarHBondContact O-N 3.35Å; R70-R73 WeakPolarHBondContact O-CB 3.41Å; R70-R73 PolarHBondContact O-N 3Å; R70-R73 VanDerWaalsContact O-N 3.12Å; R70-E74 HydrophobicContact CG-CG 4.41Å; R70-E74 IonicContact CZ-OE1 3.4Å; R70-E74 IonicContact NE-OE1 2.79Å; R70-E74 PolarHBondContact NE-OE1 3.1Å; R70-E74 IonicContact NH2-OE1 3.16Å; R70-E74 PolarHBondContact NH2-OE1 3.28Å; R70-E74 VanDerWaalsContact NH2-OE1 3.16Å; R70-E74 WeakPolarHBondContact O-CG 3.5Å; R70-E74 PolarHBondContact O-N 3.46Å
71A97.8Very high93.1Very high18 Ų1876.9 Ų76.915%0.14939%0.386CS..Hα-helixtrans-61.6-40.3-179.100000112.7D67 K68 R73 E74 L75 L101D67-A71 WeakPolarHBondContact O-CB 3.11Å; D67-A71 PolarHBondContact O-N 3.04Å; K68-A71 PolarHBondContact O-N 3.39Å; A71-R73 VanDerWaalsContact C-N 3.34Å; A71-R73 PolarHBondContact O-N 3.16Å; A71-E74 PolarHBondContact O-N 3.26Å; A71-L75 PolarHBondContact O-N 3.41Å; A71-L101 HydrophobicContact CB-CD1 4.29Å; A71-L101 HydrophobicContact CB-CD2 3.59Å
72M98.4Very high94.9Very high0 Ų075.1 Ų75.10%038%0.381CS..Hα-helixtrans-65.7-36.8175-69.4-55.8-6400112.2K68 R70 L75 L76 L94 T97 L98 L101 M164 F169 L173 V177K68-M72 WeakPolarHBondContact O-CG 3.42Å; K68-M72 PolarHBondContact O-N 3.44Å; R70-M72 VanDerWaalsContact C-N 3.34Å; R70-M72 PolarHBondContact O-N 3.35Å; M72-L75 HydrophobicContact CE-CD2 4.32Å; M72-L75 PolarHBondContact O-N 3.39Å; M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 3.11Å; M72-L76 VanDerWaalsContact O-N 3.08Å; M72-L94 HydrophobicContact CE-CD2 3.53Å; M72-T97 HydrophobicContact SD-CG2 3.86Å; M72-L98 HydrophobicContact CE-CD2 4.12Å; M72-L98 HydrophobicContact CE-CG 4.33Å; M72-L98 HydrophobicContact SD-CD2 3.84Å; M72-L98 HydrophobicContact SD-CG 4.27Å; M72-L101 HydrophobicContact CG-CD1 4.02Å; M72-L101 HydrophobicContact SD-CD1 3.93Å; M72-M164 HydrophobicContact CE-CE 4.19Å; M72-M164 HydrophobicContact CE-SD 4.38Å; M72-M164 HydrophobicContact CG-CE 4.36Å; M72-F169 HydrophobicContact CB-CE1 4.33Å; M72-F169 HydrophobicContact CG-CD1 4.38Å; M72-F169 HydrophobicContact CG-CE1 3.47Å; M72-F169 VanDerWaalsContact CG-CE1 3.47Å; M72-F169 HydrophobicContact CG-CZ 3.68Å; M72-L173 HydrophobicContact CB-CD2 4.03Å; M72-V177 HydrophobicContact CE-CG2 4.22Å
73R98.1Very high96.4Very high129 Ų12977.2 Ų77.249%0.48738%0.384SS..Hα-helixtrans-67.5-42174.2-72.1173.6179.2170.5-0.8112V69 R70 A71 L75 L76 L77 L173V69-R73 WeakPolarHBondContact O-CG 3.35Å; V69-R73 PolarHBondContact O-N 2.78Å; V69-R73 VanDerWaalsContact O-N 3.1Å; R70-R73 WeakPolarHBondContact O-CB 3.41Å; R70-R73 PolarHBondContact O-N 3Å; R70-R73 VanDerWaalsContact O-N 3.12Å; A71-R73 VanDerWaalsContact C-N 3.34Å; A71-R73 PolarHBondContact O-N 3.16Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 3.01Å; R73-L76 PolarHBondContact O-N 3.15Å; R73-L77 WeakPolarHBondContact O-CG 3.45Å; R73-L77 PolarHBondContact O-N 2.74Å; R73-L173 HydrophobicContact CG-CD1 4.12Å
74E98.4Very high97.3Very high101 Ų10174.8 Ų74.847%0.47237%0.374SS..Hα-helixtrans-61.1-40.3174.9-73.9174.2177.200111.1R70 A71 L77 S78R70-E74 HydrophobicContact CG-CG 4.41Å; R70-E74 IonicContact CZ-OE1 3.4Å; R70-E74 IonicContact NE-OE1 2.79Å; R70-E74 PolarHBondContact NE-OE1 3.1Å; R70-E74 IonicContact NH2-OE1 3.16Å; R70-E74 PolarHBondContact NH2-OE1 3.28Å; R70-E74 VanDerWaalsContact NH2-OE1 3.16Å; R70-E74 WeakPolarHBondContact O-CG 3.5Å; R70-E74 PolarHBondContact O-N 3.46Å; A71-E74 PolarHBondContact O-N 3.26Å; E74-L77 CarbonylContact O-C 3.57Å; E74-L77 PolarHBondContact O-N 3.46Å; E74-S78 PolarHBondContact O-N 3.01Å
75L98.4Very high97.5Very high14 Ų1480.4 Ų80.47%0.07339%0.392CS..Hα-helixtrans-59.9-49.5173.1-178.767.3000112.2A71 M72 R73 L77 S78 Y81 L93 L94 T97A71-L75 PolarHBondContact O-N 3.41Å; M72-L75 HydrophobicContact CE-CD2 4.32Å; M72-L75 PolarHBondContact O-N 3.39Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 3.01Å; L75-L77 PolarHBondContact O-N 3.04Å; L75-L77 VanDerWaalsContact O-N 3.14Å; L75-S78 PolarHBondContact O-N 3.29Å; L75-S78 PolarHBondContact O-OG 3.05Å; L75-Y81 HydrophobicContact CD1-CD2 4.43Å; L75-Y81 HydrophobicContact CD2-CD2 4.47Å; L75-Y81 HydrophobicContact CG-CD2 4.13Å; L75-Y81 WeakPolarHBondContact O-CB 3.36Å; L75-L93 HydrophobicContact CD1-CD1 4.28Å; L75-L93 HydrophobicContact CD1-CD2 4.06Å; L75-L93 HydrophobicContact CD1-CG 3.94Å; L75-L94 HydrophobicContact CD2-CD2 3.86Å; L75-T97 HydrophobicContact CD2-CG2 4.02Å; L75-T97 WeakPolarHBondContact CD2-OG1 3.3Å
76L98.3Very high97.7Very high40 Ų4085.8 Ų85.821%0.20941%0.408CS..Hα-helixtrans-62.8-21.9-179-68.4-176.6000113.2M72 R73 Y81 L173 V177 T180M72-L76 WeakPolarHBondContact O-CG 3.13Å; M72-L76 PolarHBondContact O-N 3.11Å; M72-L76 VanDerWaalsContact O-N 3.08Å; R73-L76 PolarHBondContact O-N 3.15Å; L76-Y81 HydrophobicContact CD2-CD1 4.2Å; L76-Y81 HydrophobicContact CD2-CE1 3.63Å; L76-Y81 HydrophobicContact CD2-CE2 4.5Å; L76-L173 HydrophobicContact CD1-CD1 4.49Å; L76-V177 HydrophobicContact CD1-CG2 3.8Å; L76-V177 HydrophobicContact CD2-CG2 4.31Å; L76-V177 HydrophobicContact CG-CG2 4.34Å; L76-T180 HydrophobicContact CD2-CG2 4.33Å
77L98.2Very high97.9Very high150 Ų15078.7 Ų78.779%0.78538%0.381SS*.THydrogen-bonded Turntrans-98.7-0.9178-64.2175.1000113.1R73 E74 L75R73-L77 WeakPolarHBondContact O-CG 3.45Å; R73-L77 PolarHBondContact O-N 2.74Å; E74-L77 CarbonylContact O-C 3.57Å; E74-L77 PolarHBondContact O-N 3.46Å; L75-L77 PolarHBondContact O-N 3.04Å; L75-L77 VanDerWaalsContact O-N 3.14Å
78S98.4Very high98Very high32 Ų3276.6 Ų76.622%0.22437%0.371CS..SBendtrans-79.7148.1-176.379.20000112E74 L75 E80 Y81 A82E74-S78 PolarHBondContact O-N 3.01Å; L75-S78 PolarHBondContact O-N 3.29Å; L75-S78 PolarHBondContact O-OG 3.05Å; S78-E80 PolarHBondContact O-N 3.46Å; S78-Y81 PolarHBondContact O-N 3.05Å; S78-Y81 VanDerWaalsContact O-N 3.16Å; S78-Y81 PolarHBondContact OG-N 3.12Å; S78-Y81 VanDerWaalsContact OG-N 3.12Å; S78-A82 PolarHBondContact O-N 3.25Å
79D98.1Very high98.1Very high127 Ų12778.9 Ų78.968%0.67938%0.384SS*.Hα-helixtrans-59.3-38.6173-64.7-30.5000110.9Y81 A82 E83D79-Y81 VanDerWaalsContact C-N 3.29Å; D79-Y81 PolarHBondContact O-N 2.8Å; D79-A82 PolarHBondContact O-N 3.32Å; D79-A82 VanDerWaalsContact O-N 3.15Å; D79-E83 WeakPolarHBondContact O-CB 3.31Å; D79-E83 VanDerWaalsContact O-CG 3.26Å; D79-E83 WeakPolarHBondContact O-CG 3.28Å; D79-E83 PolarHBondContact O-N 3.03Å
80E98.1Very high98.1Very high112 Ų11280.9 Ų80.952%0.52339%0.39SS..Hα-helixtrans-56.1-43.8176.3-174.8-174.1-171.800111.5S78 Q84 L93S78-E80 PolarHBondContact O-N 3.46Å; E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.49Å; E80-Q84 PolarHBondContact O-NE2 3.27Å; E80-L93 HydrophobicContact CG-CD2 3.95Å
81Y98.5Very high98.2Very high11 Ų1173.4 Ų73.44%0.04336%0.362CS..Hα-helixtrans-71.6-39.6178.6-166.4-100.7000111.7L75 L76 S78 D79 E83 Q84 R90 L93 L94 T180L75-Y81 HydrophobicContact CD1-CD2 4.43Å; L75-Y81 HydrophobicContact CD2-CD2 4.47Å; L75-Y81 HydrophobicContact CG-CD2 4.13Å; L75-Y81 WeakPolarHBondContact O-CB 3.36Å; L76-Y81 HydrophobicContact CD2-CD1 4.2Å; L76-Y81 HydrophobicContact CD2-CE1 3.63Å; L76-Y81 HydrophobicContact CD2-CE2 4.5Å; S78-Y81 PolarHBondContact O-N 3.05Å; S78-Y81 VanDerWaalsContact O-N 3.16Å; S78-Y81 PolarHBondContact OG-N 3.12Å; S78-Y81 VanDerWaalsContact OG-N 3.12Å; D79-Y81 VanDerWaalsContact C-N 3.29Å; D79-Y81 PolarHBondContact O-N 2.8Å; Y81-E83 VanDerWaalsContact C-N 3.33Å; Y81-E83 PolarHBondContact O-N 3.45Å; Y81-Q84 WeakPolarHBondContact O-CB 3.48Å; Y81-Q84 PolarHBondContact O-N 2.87Å; Y81-R90 HydrophobicContact CD2-CG 4.43Å; Y81-R90 HydrophobicContact CE1-CG 4.3Å; Y81-R90 HydrophobicContact CE2-CB 3.77Å; Y81-R90 HydrophobicContact CE2-CG 3.87Å; Y81-L93 HydrophobicContact CD2-CD2 3.77Å; Y81-L93 HydrophobicContact CD2-CG 4.29Å; Y81-L93 HydrophobicContact CG-CD2 4.5Å; Y81-L94 HydrophobicContact CE2-CD2 4.21Å; Y81-L94 HydrophobicContact CE2-CG 4.04Å; Y81-T180 WeakPolarHBondContact CE1-OG1 3.46Å; Y81-T180 PolarHBondContact OH-OG1 2.88Å
82A97.9Very high98.2Very high82 Ų8273.4 Ų73.468%0.67836%0.359SS*.Hα-helixtrans-64.5-34.4177.700000113S78 D79 Q84S78-A82 PolarHBondContact O-N 3.25Å; D79-A82 PolarHBondContact O-N 3.32Å; D79-A82 VanDerWaalsContact O-N 3.15Å; A82-Q84 PolarHBondContact O-N 3.06Å
83E98.2Very high98.2Very high140 Ų14074.4 Ų74.465%0.65436%0.364SS*.THydrogen-bonded Turntrans-68.2-17.4177.2-75.9176.7-177.900113.2D79 Y81 K85D79-E83 WeakPolarHBondContact O-CB 3.31Å; D79-E83 VanDerWaalsContact O-CG 3.26Å; D79-E83 WeakPolarHBondContact O-CG 3.28Å; D79-E83 PolarHBondContact O-N 3.03Å; Y81-E83 VanDerWaalsContact C-N 3.33Å; Y81-E83 PolarHBondContact O-N 3.45Å; E83-K85 PolarHBondContact O-N 3.12Å
84Q98.2Very high98.2Very high42 Ų4268.3 Ų68.320%0.19634%0.341CS..  trans-73.697.6-178.5-57.1-42.7-4500112.3E80 Y81 A82 R86 N89 R90 L93E80-Q84 VanDerWaalsContact O-CG 3.29Å; E80-Q84 WeakPolarHBondContact O-CG 3.49Å; E80-Q84 PolarHBondContact O-NE2 3.27Å; Y81-Q84 WeakPolarHBondContact O-CB 3.48Å; Y81-Q84 PolarHBondContact O-N 2.87Å; A82-Q84 PolarHBondContact O-N 3.06Å; Q84-R86 PolarHBondContact O-N 2.91Å; Q84-N89 HydrophobicContact CB-CB 3.96Å; Q84-N89 HydrophobicContact CG-CB 4.23Å; Q84-N89 PolarHBondContact OE1-ND2 3.06Å; Q84-R90 HydrophobicContact CB-CG 3.55Å; Q84-R90 HydrophobicContact CG-CG 4.34Å; Q84-R90 PolarHBondContact O-NH1 3.03Å; Q84-L93 HydrophobicContact CG-CD2 4.16Å
85K96.8Very high98.3Very high197 Ų19763.5 Ų63.586%0.85732%0.318SS*.  trans-69.7-22.8-176.8-61-176.3-178.3178.50115.5E83E83-K85 PolarHBondContact O-N 3.12Å
86R97.6Very high98.3Very high182 Ų18263.8 Ų63.869%0.68732%0.321SS*.SBendtrans-116.9140.9-174.3-62.3-171.1178.2-169.60.8111Q84 V88 N89 R90Q84-R86 PolarHBondContact O-N 2.91Å; R86-V88 HydrophobicContact CB-CG1 4.13Å; R86-V88 PolarHBondContact O-N 2.78Å; R86-V88 VanDerWaalsContact O-N 3.15Å; R86-N89 WeakPolarHBondContact O-CB 3.28Å; R86-N89 PolarHBondContact O-N 3.4Å; R86-R90 PolarHBondContact O-N 3.26Å
87A98.1Very high98.3Very high22 Ų2263 Ų6318%0.18232%0.319CS..Hα-helixtrans-51.8-38.5176.100000113.4N89 R90 F91 T153 I181A87-N89 VanDerWaalsContact C-N 3.29Å; A87-N89 PolarHBondContact O-N 3.31Å; A87-R90 PolarHBondContact O-N 3.3Å; A87-F91 VanDerWaalsContact O-CB 3.28Å; A87-F91 WeakPolarHBondContact O-CB 3.38Å; A87-F91 PolarHBondContact O-N 3.04Å; A87-T153 HydrophobicContact CB-CG2 4.45Å; A87-I181 VanDerWaalsContact CA-O 3.27Å; A87-I181 WeakPolarHBondContact CA-O 3.31Å; A87-I181 HydrophobicContact CB-CG2 4.22Å; A87-I181 WeakPolarHBondContact CB-O 3.35Å
88V98.2Very high98.3Very high28 Ų2855.9 Ų55.917%0.1728%0.281CS..Hα-helixtrans-62.8-35.7176.366.70000112.2R86 F91 M92 T149R86-V88 HydrophobicContact CB-CG1 4.13Å; R86-V88 PolarHBondContact O-N 2.78Å; R86-V88 VanDerWaalsContact O-N 3.15Å; V88-F91 WeakPolarHBondContact O-CB 3.49Å; V88-F91 PolarHBondContact O-N 3.1Å; V88-M92 VanDerWaalsContact O-CG 3.25Å; V88-M92 WeakPolarHBondContact O-CG 3.41Å; V88-M92 PolarHBondContact O-N 3.11Å; V88-T149 HydrophobicContact CG2-CG2 3.96Å
89N98.4Very high98.3Very high58 Ų5856.9 Ų56.931%0.3128%0.281SS..Hα-helixtrans-70.6-44.6-179.4-64.13.7000110.9Q84 R86 A87 F91 M92 L93Q84-N89 HydrophobicContact CB-CB 3.96Å; Q84-N89 HydrophobicContact CG-CB 4.23Å; Q84-N89 PolarHBondContact OE1-ND2 3.06Å; R86-N89 WeakPolarHBondContact O-CB 3.28Å; R86-N89 PolarHBondContact O-N 3.4Å; A87-N89 VanDerWaalsContact C-N 3.29Å; A87-N89 PolarHBondContact O-N 3.31Å; N89-F91 VanDerWaalsContact C-N 3.32Å; N89-F91 PolarHBondContact O-N 3.31Å; N89-M92 PolarHBondContact O-N 3.38Å; N89-L93 PolarHBondContact O-N 3.49Å
90R98.6Very high98.3Very high57 Ų5754.5 Ų54.522%0.21527%0.274CS..Hα-helixtrans-59.1-44.2173.1-71.2-173.9-65.7-104.814.6111.7Y81 Q84 R86 A87 M92 L93 L94 T180 I181Y81-R90 HydrophobicContact CD2-CG 4.43Å; Y81-R90 HydrophobicContact CE1-CG 4.3Å; Y81-R90 HydrophobicContact CE2-CB 3.77Å; Y81-R90 HydrophobicContact CE2-CG 3.87Å; Q84-R90 HydrophobicContact CB-CG 3.55Å; Q84-R90 HydrophobicContact CG-CG 4.34Å; Q84-R90 PolarHBondContact O-NH1 3.03Å; R86-R90 PolarHBondContact O-N 3.26Å; A87-R90 PolarHBondContact O-N 3.3Å; R90-M92 PolarHBondContact O-N 3.44Å; R90-L93 PolarHBondContact O-N 2.96Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.06Å; R90-T180 WeakPolarHBondContact CD-O 3.26Å; R90-T180 PolarHBondContact NE-O 3.07Å; R90-I181 VanDerWaalsContact CZ-O 3.29Å; R90-I181 PolarHBondContact NE-O 3.16Å; R90-I181 VanDerWaalsContact NE-O 3.11Å; R90-I181 PolarHBondContact NH2-O 3Å
91F98.7Very high98.2Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-56.7-47173.9175.3-109.6000112.7A87 V88 N89 L93 L94 L95 V147 K156 M159 I160A87-F91 VanDerWaalsContact O-CB 3.28Å; A87-F91 WeakPolarHBondContact O-CB 3.38Å; A87-F91 PolarHBondContact O-N 3.04Å; V88-F91 WeakPolarHBondContact O-CB 3.49Å; V88-F91 PolarHBondContact O-N 3.1Å; N89-F91 VanDerWaalsContact C-N 3.32Å; N89-F91 PolarHBondContact O-N 3.31Å; F91-L93 PolarHBondContact O-N 3.32Å; F91-L94 PolarHBondContact O-N 3.24Å; F91-L95 HydrophobicContact CD1-CD1 4.05Å; F91-L95 HydrophobicContact CD2-CD1 4.49Å; F91-L95 HydrophobicContact CE1-CD1 3.53Å; F91-L95 HydrophobicContact CE2-CD1 4.01Å; F91-L95 HydrophobicContact CE2-CD2 4.35Å; F91-L95 HydrophobicContact CE2-CG 4.22Å; F91-L95 HydrophobicContact CZ-CD1 3.52Å; F91-L95 HydrophobicContact CZ-CD2 4.45Å; F91-L95 HydrophobicContact CZ-CG 4.22Å; F91-L95 WeakPolarHBondContact O-CG 3.48Å; F91-L95 PolarHBondContact O-N 3.34Å; F91-L95 VanDerWaalsContact O-N 3.09Å; F91-V147 HydrophobicContact CE1-CG1 4.04Å; F91-V147 HydrophobicContact CE1-CG2 3.78Å; F91-V147 HydrophobicContact CZ-CG2 3.89Å; F91-K156 HydrophobicContact CB-CD 4.11Å; F91-K156 HydrophobicContact CD1-CD 4.41Å; F91-K156 HydrophobicContact CD1-CG 4.37Å; F91-K156 HydrophobicContact CD2-CB 3.88Å; F91-K156 HydrophobicContact CD2-CG 4.17Å; F91-K156 HydrophobicContact CE2-CB 4.26Å; F91-K156 HydrophobicContact CE2-CG 4.47Å; F91-K156 HydrophobicContact CG-CB 4.23Å; F91-K156 HydrophobicContact CG-CD 4.14Å; F91-K156 HydrophobicContact CG-CG 4.11Å; F91-M159 HydrophobicContact CE1-CE 4.24Å; F91-M159 HydrophobicContact CE2-CB 4.12Å; F91-M159 HydrophobicContact CE2-CE 3.97Å; F91-M159 HydrophobicContact CZ-CB 4.42Å; F91-M159 HydrophobicContact CZ-CE 3.53Å; F91-M159 HydrophobicContact CZ-SD 4.18Å; F91-I160 HydrophobicContact CD2-CD1 3.8Å; F91-I160 HydrophobicContact CD2-CG1 3.69Å; F91-I160 HydrophobicContact CE2-CD1 3.79Å; F91-I160 HydrophobicContact CE2-CG1 3.83Å
92M98.7Very high98.1Very high18 Ų1850.1 Ų50.19%0.08926%0.255CS..Hα-helixtrans-62.2-43.7177.3-64.4-51.8-69.700111.7V88 N89 R90 L95 S96 K138 H139 V140 V147 T149V88-M92 VanDerWaalsContact O-CG 3.25Å; V88-M92 WeakPolarHBondContact O-CG 3.41Å; V88-M92 PolarHBondContact O-N 3.11Å; N89-M92 PolarHBondContact O-N 3.38Å; R90-M92 PolarHBondContact O-N 3.44Å; M92-L95 PolarHBondContact O-N 2.84Å; M92-S96 PolarHBondContact O-N 3.32Å; M92-S96 PolarHBondContact O-OG 3.14Å; M92-K138 HydrophobicContact CE-CB 3.99Å; M92-K138 HydrophobicContact SD-CB 4.37Å; M92-H139 WeakPolarHBondContact CE-O 3.48Å; M92-V140 HydrophobicContact CE-CB 4.07Å; M92-V140 HydrophobicContact CE-CG2 3.66Å; M92-V147 HydrophobicContact CE-CG1 3.9Å; M92-V147 HydrophobicContact SD-CG1 3.59Å; M92-V147 VanDerWaalsContact SD-CG1 3.59Å; M92-T149 HydrophobicContact SD-CG2 4.37Å
93L98.5Very high98.1Very high21 Ų2148.2 Ų48.211%0.1124%0.239CC..Hα-helixtrans-64.6-41.4-179.6-17653.5000111.6L75 E80 Y81 Q84 N89 R90 F91 L95 S96 T97L75-L93 HydrophobicContact CD1-CD1 4.28Å; L75-L93 HydrophobicContact CD1-CD2 4.06Å; L75-L93 HydrophobicContact CD1-CG 3.94Å; E80-L93 HydrophobicContact CG-CD2 3.95Å; Y81-L93 HydrophobicContact CD2-CD2 3.77Å; Y81-L93 HydrophobicContact CD2-CG 4.29Å; Y81-L93 HydrophobicContact CG-CD2 4.5Å; Q84-L93 HydrophobicContact CG-CD2 4.16Å; N89-L93 PolarHBondContact O-N 3.49Å; R90-L93 PolarHBondContact O-N 2.96Å; F91-L93 PolarHBondContact O-N 3.32Å; L93-L95 PolarHBondContact O-N 2.83Å; L93-S96 PolarHBondContact O-N 2.93Å; L93-T97 PolarHBondContact O-N 2.68Å; L93-T97 PolarHBondContact O-OG1 2.96Å; L93-T97 VanDerWaalsContact O-OG1 3.09Å
94L98.8Very high98Very high0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-58.3-47.2172.4-71.9168.6000112M72 L75 Y81 R90 F91 T97 L98 I160 V177 I181M72-L94 HydrophobicContact CE-CD2 3.53Å; L75-L94 HydrophobicContact CD2-CD2 3.86Å; Y81-L94 HydrophobicContact CE2-CD2 4.21Å; Y81-L94 HydrophobicContact CE2-CG 4.04Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.26Å; R90-L94 PolarHBondContact O-N 3.06Å; F91-L94 PolarHBondContact O-N 3.24Å; L94-T97 PolarHBondContact O-N 3.42Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 2.6Å; L94-I160 HydrophobicContact CB-CD1 3.94Å; L94-I160 HydrophobicContact CD1-CD1 4.44Å; L94-I160 HydrophobicContact CD1-CG1 4.26Å; L94-I160 HydrophobicContact CD1-CG2 4.45Å; L94-V177 HydrophobicContact CD1-CG1 3.72Å; L94-V177 HydrophobicContact CD2-CG1 3.6Å; L94-V177 HydrophobicContact CG-CG1 4.32Å; L94-I181 HydrophobicContact CD1-CD1 3.64Å; L94-I181 HydrophobicContact CD1-CG1 3.6Å
95L98.8Very high97.9Very high0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-62.3-45.2178.6-68173.5000112F91 M92 L93 T97 L98 Y99 F106 F121 V140 V147 I160 I163F91-L95 HydrophobicContact CD1-CD1 4.05Å; F91-L95 HydrophobicContact CD2-CD1 4.49Å; F91-L95 HydrophobicContact CE1-CD1 3.53Å; F91-L95 HydrophobicContact CE2-CD1 4.01Å; F91-L95 HydrophobicContact CE2-CD2 4.35Å; F91-L95 HydrophobicContact CE2-CG 4.22Å; F91-L95 HydrophobicContact CZ-CD1 3.52Å; F91-L95 HydrophobicContact CZ-CD2 4.45Å; F91-L95 HydrophobicContact CZ-CG 4.22Å; F91-L95 WeakPolarHBondContact O-CG 3.48Å; F91-L95 PolarHBondContact O-N 3.34Å; F91-L95 VanDerWaalsContact O-N 3.09Å; M92-L95 PolarHBondContact O-N 2.84Å; L93-L95 PolarHBondContact O-N 2.83Å; L95-T97 VanDerWaalsContact C-N 3.33Å; L95-T97 PolarHBondContact O-N 3.37Å; L95-L98 PolarHBondContact O-N 2.88Å; L95-Y99 WeakPolarHBondContact O-CB 3.34Å; L95-Y99 PolarHBondContact O-N 3.39Å; L95-F106 HydrophobicContact CD2-CE2 3.99Å; L95-F106 HydrophobicContact CD2-CZ 4.07Å; L95-F121 HydrophobicContact CD1-CE1 3.83Å; L95-F121 HydrophobicContact CD1-CZ 4.22Å; L95-F121 HydrophobicContact CD2-CE1 3.85Å; L95-F121 HydrophobicContact CD2-CZ 3.84Å; L95-F121 HydrophobicContact CG-CE1 4.47Å; L95-V140 HydrophobicContact CB-CG1 3.69Å; L95-V140 HydrophobicContact CB-CG2 4.39Å; L95-V140 HydrophobicContact CD1-CG2 4Å; L95-V147 HydrophobicContact CD1-CB 4.21Å; L95-V147 HydrophobicContact CD1-CG1 3.9Å; L95-V147 HydrophobicContact CD1-CG2 4.12Å; L95-I160 HydrophobicContact CD2-CD1 3.71Å; L95-I160 HydrophobicContact CG-CD1 4.08Å; L95-I163 HydrophobicContact CD2-CD1 3.67Å
96S98.6Very high98Very high20 Ų2037.2 Ų37.214%0.1419%0.193CC..Hα-helixtrans-57.1-46.4175.3-710000111.6M92 L93 S100 V140 P141M92-S96 PolarHBondContact O-N 3.32Å; M92-S96 PolarHBondContact O-OG 3.14Å; L93-S96 PolarHBondContact O-N 2.93Å; S96-S100 WeakPolarHBondContact O-CB 3.23Å; S96-S100 PolarHBondContact O-N 2.86Å; S96-S100 VanDerWaalsContact O-N 3.09Å; S96-V140 WeakPolarHBondContact OG-CG1 3.25Å; S96-P141 WeakPolarHBondContact CB-O 3.25Å; S96-P141 WeakPolarHBondContact OG-CD 3.44Å; S96-P141 PolarHBondContact OG-O 2.96Å
97T98.4Very high97.9Very high24 Ų2430 Ų3015%0.14717%0.173CC..Hα-helixtrans-66.5-47.2178.8-57.40000111.5M72 L75 L93 L94 L95 Y99 S100 L101M72-T97 HydrophobicContact SD-CG2 3.86Å; L75-T97 HydrophobicContact CD2-CG2 4.02Å; L75-T97 WeakPolarHBondContact CD2-OG1 3.3Å; L93-T97 PolarHBondContact O-N 2.68Å; L93-T97 PolarHBondContact O-OG1 2.96Å; L93-T97 VanDerWaalsContact O-OG1 3.09Å; L94-T97 PolarHBondContact O-N 3.42Å; L95-T97 VanDerWaalsContact C-N 3.33Å; L95-T97 PolarHBondContact O-N 3.37Å; T97-Y99 VanDerWaalsContact C-N 3.34Å; T97-Y99 PolarHBondContact O-N 2.7Å; T97-S100 WeakPolarHBondContact O-CB 3.28Å; T97-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-OG 2.88Å; T97-L101 HydrophobicContact CG2-CD1 4.33Å; T97-L101 HydrophobicContact CG2-CG 4.42Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.02Å; T97-L101 VanDerWaalsContact O-N 3.08Å
98L98.5Very high97.8Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-57.2-46.9179.4-72.3168.3000111.5M72 L94 L95 S100 L101 D102 F106 I160 I163 M164 M167 F169M72-L98 HydrophobicContact CE-CD2 4.12Å; M72-L98 HydrophobicContact CE-CG 4.33Å; M72-L98 HydrophobicContact SD-CD2 3.84Å; M72-L98 HydrophobicContact SD-CG 4.27Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CG 3.32Å; L94-L98 PolarHBondContact O-N 2.6Å; L95-L98 PolarHBondContact O-N 2.88Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-L101 PolarHBondContact O-N 3.15Å; L98-D102 PolarHBondContact O-N 3.05Å; L98-F106 HydrophobicContact CB-CD2 3.93Å; L98-F106 HydrophobicContact CB-CE2 4.12Å; L98-I160 HydrophobicContact CD1-CD1 4.23Å; L98-I163 HydrophobicContact CD1-CG2 4.02Å; L98-M164 HydrophobicContact CD1-CG 3.93Å; L98-M164 HydrophobicContact CD2-CG 3.87Å; L98-M167 HydrophobicContact CB-SD 4.12Å; L98-M167 HydrophobicContact CD2-SD 4.09Å; L98-M167 WeakPolarHBondContact O-CE 3.4Å; L98-F169 HydrophobicContact CD2-CD2 4.41Å; L98-F169 HydrophobicContact CD2-CE2 3.57Å; L98-F169 HydrophobicContact CD2-CZ 3.91Å
99Y98.4Very high97.8Very high54 Ų5432.8 Ų32.821%0.21218%0.18CC..Hα-helixtrans-58.6-42174.4179.2-94000112.4L95 T97 L101 D102 A103 F106 T143 Y145L95-Y99 WeakPolarHBondContact O-CB 3.34Å; L95-Y99 PolarHBondContact O-N 3.39Å; T97-Y99 VanDerWaalsContact C-N 3.34Å; T97-Y99 PolarHBondContact O-N 2.7Å; Y99-L101 PolarHBondContact O-N 2.88Å; Y99-D102 CarbonylContact O-C 3.45Å; Y99-D102 PolarHBondContact O-N 2.99Å; Y99-A103 HydrophobicContact CD2-CB 4.17Å; Y99-A103 HydrophobicContact CE1-CB 4.32Å; Y99-A103 HydrophobicContact CE2-CB 3.69Å; Y99-A103 WeakPolarHBondContact O-CA 3.39Å; Y99-A103 PolarHBondContact O-N 3.2Å; Y99-F106 HydrophobicContact CD2-CB 4.29Å; Y99-F106 AromaticContact CD2-CD1 3.65Å; Y99-F106 HydrophobicContact CD2-CD1 3.65Å; Y99-F106 HydrophobicContact CD2-CE1 4.18Å; Y99-F106 HydrophobicContact CD2-CG 4.05Å; Y99-F106 HydrophobicContact CG-CD1 4.45Å; Y99-T143 HydrophobicContact CD1-CG2 3.45Å; Y99-T143 VanDerWaalsContact CD1-CG2 3.45Å; Y99-T143 HydrophobicContact CD2-CG2 4.32Å; Y99-T143 HydrophobicContact CE1-CG2 4.16Å; Y99-T143 HydrophobicContact CG-CG2 3.54Å; Y99-Y145 HydrophobicContact CD2-CD2 4.07Å; Y99-Y145 HydrophobicContact CD2-CE2 4.05Å; Y99-Y145 HydrophobicContact CE2-CD2 4.02Å; Y99-Y145 AromaticContact CE2-CE2 3.8Å; Y99-Y145 HydrophobicContact CE2-CE2 3.8Å
100S97.5Very high97.7Very high77 Ų7730.5 Ų30.554%0.53817%0.168SC..Hα-helixtrans-67.1-22.5-18081.70000114.2S96 T97 L98S96-S100 WeakPolarHBondContact O-CB 3.23Å; S96-S100 PolarHBondContact O-N 2.86Å; S96-S100 VanDerWaalsContact O-N 3.09Å; T97-S100 WeakPolarHBondContact O-CB 3.28Å; T97-S100 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-OG 2.88Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.85Å
101L97.4Very high97.4Very high8 Ų833.2 Ų33.24%0.04218%0.183CC..Hα-helixtrans-80.1-37.9178.9-68.5178000112.4K63 K68 A71 M72 T97 L98 Y99 F169K63-L101 HydrophobicContact CD-CD2 3.72Å; K68-L101 HydrophobicContact CB-CD1 4.24Å; K68-L101 HydrophobicContact CG-CB 4.27Å; K68-L101 HydrophobicContact CG-CD1 4.49Å; A71-L101 HydrophobicContact CB-CD1 4.29Å; A71-L101 HydrophobicContact CB-CD2 3.59Å; M72-L101 HydrophobicContact CG-CD1 4.02Å; M72-L101 HydrophobicContact SD-CD1 3.93Å; T97-L101 HydrophobicContact CG2-CD1 4.33Å; T97-L101 HydrophobicContact CG2-CG 4.42Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.02Å; T97-L101 VanDerWaalsContact O-N 3.08Å; L98-L101 PolarHBondContact O-N 3.15Å; Y99-L101 PolarHBondContact O-N 2.88Å; L101-F169 HydrophobicContact CD1-CZ 3.96Å
102D96.9Very high97Very high23 Ų2336.4 Ų36.412%0.12321%0.205CC..  trans-163.494179.3-167.6-27.2000110.4V62 K68 L98 Y99 Q104 A105 F106 M167V62-D102 WeakPolarHBondContact CG1-OD2 3.33Å; K68-D102 IonicContact NZ-OD2 2.76Å; K68-D102 PolarHBondContact NZ-OD2 3.39Å; L98-D102 PolarHBondContact O-N 3.05Å; Y99-D102 CarbonylContact O-C 3.45Å; Y99-D102 PolarHBondContact O-N 2.99Å; D102-Q104 PolarHBondContact O-N 3.46Å; D102-Q104 PolarHBondContact OD1-N 3.29Å; D102-A105 HydrophobicContact CB-CB 4Å; D102-A105 VanDerWaalsContact CG-CB 3.43Å; D102-A105 PolarHBondContact O-N 2.82Å; D102-A105 PolarHBondContact OD1-N 2.91Å; D102-F106 VanDerWaalsContact O-CB 3.3Å; D102-F106 WeakPolarHBondContact O-CB 3.47Å; D102-F106 PolarHBondContact O-N 2.94Å; D102-M167 HydrophobicContact CB-CE 3.82Å
103A96.9Very high96.8Very high42 Ų4236.4 Ų36.435%0.34721%0.206SC..Hα-helixtrans-64.1-31.4-177.400000112.5Y99 A107Y99-A103 HydrophobicContact CD2-CB 4.17Å; Y99-A103 HydrophobicContact CE1-CB 4.32Å; Y99-A103 HydrophobicContact CE2-CB 3.69Å; Y99-A103 WeakPolarHBondContact O-CA 3.39Å; Y99-A103 PolarHBondContact O-N 3.2Å; A103-A107 WeakPolarHBondContact O-CB 3.5Å; A103-A107 PolarHBondContact O-N 3.49Å
104Q96Very high96.6Very high132 Ų13238.9 Ų38.962%0.61722%0.216SC*.Hα-helixtrans-72.6-51.3179.6-175.4-175.8-23.300110.6D102 F106 A107 E108D102-Q104 PolarHBondContact O-N 3.46Å; D102-Q104 PolarHBondContact OD1-N 3.29Å; Q104-F106 PolarHBondContact O-N 3.19Å; Q104-A107 WeakPolarHBondContact O-CB 3.25Å; Q104-A107 PolarHBondContact O-N 3.39Å; Q104-E108 PolarHBondContact NE2-OE1 2.99Å; Q104-E108 VanDerWaalsContact NE2-OE1 3.11Å; Q104-E108 PolarHBondContact O-N 3.45Å
105A96.4Very high96.4Very high16 Ų1639.4 Ų39.413%0.13222%0.222CC..Hα-helixtrans-62.5-3417800000111.9D102 A109 M167D102-A105 HydrophobicContact CB-CB 4Å; D102-A105 VanDerWaalsContact CG-CB 3.43Å; D102-A105 PolarHBondContact O-N 2.82Å; D102-A105 PolarHBondContact OD1-N 2.91Å; A105-A109 VanDerWaalsContact O-CB 3.25Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3Å; A105-M167 HydrophobicContact CB-CE 4.29Å; A105-M167 HydrophobicContact CB-CG 3.97Å
106F98Very high96Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-65.1-40.7172.8-173.6-85.6000112.3L95 L98 Y99 D102 Q104 A109 T110 F121 Y145 I163 M167L95-F106 HydrophobicContact CD2-CE2 3.99Å; L95-F106 HydrophobicContact CD2-CZ 4.07Å; L98-F106 HydrophobicContact CB-CD2 3.93Å; L98-F106 HydrophobicContact CB-CE2 4.12Å; Y99-F106 HydrophobicContact CD2-CB 4.29Å; Y99-F106 AromaticContact CD2-CD1 3.65Å; Y99-F106 HydrophobicContact CD2-CD1 3.65Å; Y99-F106 HydrophobicContact CD2-CE1 4.18Å; Y99-F106 HydrophobicContact CD2-CG 4.05Å; Y99-F106 HydrophobicContact CG-CD1 4.45Å; D102-F106 VanDerWaalsContact O-CB 3.3Å; D102-F106 WeakPolarHBondContact O-CB 3.47Å; D102-F106 PolarHBondContact O-N 2.94Å; Q104-F106 PolarHBondContact O-N 3.19Å; F106-A109 PolarHBondContact O-N 3.07Å; F106-T110 HydrophobicContact CD1-CG2 3.94Å; F106-T110 HydrophobicContact CE1-CG2 3.54Å; F106-T110 HydrophobicContact CE2-CG2 4.43Å; F106-T110 HydrophobicContact CZ-CG2 3.81Å; F106-T110 WeakPolarHBondContact O-CB 3.45Å; F106-T110 WeakPolarHBondContact O-CG2 3.32Å; F106-T110 PolarHBondContact O-N 3.5Å; F106-T110 PolarHBondContact O-OG1 3.38Å; F106-F121 HydrophobicContact CZ-CE1 4.39Å; F106-Y145 HydrophobicContact CD1-CD2 4.11Å; F106-Y145 AromaticContact CD1-CE2 3.87Å; F106-Y145 HydrophobicContact CD1-CE2 3.87Å; F106-Y145 AromaticContact CE1-CD2 3.74Å; F106-Y145 HydrophobicContact CE1-CD2 3.74Å; F106-Y145 AromaticContact CE1-CE2 3.93Å; F106-Y145 HydrophobicContact CE1-CE2 3.93Å; F106-Y145 HydrophobicContact CE1-CG 4.05Å; F106-I163 HydrophobicContact CD2-CG2 3.97Å; F106-I163 HydrophobicContact CE2-CD1 4.31Å; F106-I163 HydrophobicContact CE2-CG2 4.14Å; F106-M167 HydrophobicContact CB-CE 4.45Å; F106-M167 HydrophobicContact CB-SD 4.35Å; F106-M167 HydrophobicContact CD2-SD 4.32Å
107A96.9Very high95.7Very high31 Ų3154.4 Ų54.426%0.25629%0.286SS..Hα-helixtrans-62.7-47.5177.300000111.8A103 Q104 A109 T110 E111 Y145A103-A107 WeakPolarHBondContact O-CB 3.5Å; A103-A107 PolarHBondContact O-N 3.49Å; Q104-A107 WeakPolarHBondContact O-CB 3.25Å; Q104-A107 PolarHBondContact O-N 3.39Å; A107-A109 VanDerWaalsContact C-N 3.32Å; A107-A109 PolarHBondContact O-N 3.42Å; A107-T110 PolarHBondContact O-N 3.39Å; A107-T110 PolarHBondContact O-OG1 3.36Å; A107-T110 VanDerWaalsContact O-OG1 3.06Å; A107-E111 PolarHBondContact O-N 3.18Å; A107-E111 VanDerWaalsContact O-N 3.1Å; A107-Y145 VanDerWaalsContact CA-OH 3.28Å; A107-Y145 WeakPolarHBondContact CA-OH 3.48Å; A107-Y145 VanDerWaalsContact CB-OH 3.26Å; A107-Y145 WeakPolarHBondContact CB-OH 3.43Å
108E96Very high95.6Very high108 Ų10856.4 Ų56.451%0.50529%0.291SS..Hα-helixtrans-60.5-41.8176.3-67.2173-164.800111.6Q104 T110Q104-E108 PolarHBondContact NE2-OE1 2.99Å; Q104-E108 VanDerWaalsContact NE2-OE1 3.11Å; Q104-E108 PolarHBondContact O-N 3.45Å; E108-T110 PolarHBondContact O-N 3.18Å
109A97.5Very high95.5Very high0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-65.7-36.417900000113.2A105 F106 A107 S112 H162 I163A105-A109 VanDerWaalsContact O-CB 3.25Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3Å; F106-A109 PolarHBondContact O-N 3.07Å; A107-A109 VanDerWaalsContact C-N 3.32Å; A107-A109 PolarHBondContact O-N 3.42Å; A109-S112 PolarHBondContact O-OG 2.91Å; A109-H162 PolarHBondContact O-CD2 2.95Å; A109-H162 PolarHBondContact O-NE2 3.36Å; A109-I163 HydrophobicContact CB-CB 4.42Å; A109-I163 HydrophobicContact CB-CG1 4.35Å; A109-I163 HydrophobicContact CB-CG2 4.19Å
110T96.8Very high95.4Very high9 Ų955.5 Ų55.56%0.05529%0.289CS..Hα-helixtrans-81.8-28.8-17749.20000113.5F106 A107 E108 S112 L113 F121 I163F106-T110 HydrophobicContact CD1-CG2 3.94Å; F106-T110 HydrophobicContact CE1-CG2 3.54Å; F106-T110 HydrophobicContact CE2-CG2 4.43Å; F106-T110 HydrophobicContact CZ-CG2 3.81Å; F106-T110 WeakPolarHBondContact O-CB 3.45Å; F106-T110 WeakPolarHBondContact O-CG2 3.32Å; F106-T110 PolarHBondContact O-N 3.5Å; F106-T110 PolarHBondContact O-OG1 3.38Å; A107-T110 PolarHBondContact O-N 3.39Å; A107-T110 PolarHBondContact O-OG1 3.36Å; A107-T110 VanDerWaalsContact O-OG1 3.06Å; E108-T110 PolarHBondContact O-N 3.18Å; T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact O-N 3.29Å; T110-L113 PolarHBondContact O-N 2.94Å; T110-L113 VanDerWaalsContact O-N 3.16Å; T110-F121 HydrophobicContact CG2-CB 4.29Å; T110-F121 HydrophobicContact CG2-CD1 3.94Å; T110-F121 HydrophobicContact CG2-CD2 3.9Å; T110-F121 HydrophobicContact CG2-CE1 4.22Å; T110-F121 HydrophobicContact CG2-CE2 4.21Å; T110-F121 HydrophobicContact CG2-CG 3.77Å; T110-F121 HydrophobicContact CG2-CZ 4.35Å; T110-I163 HydrophobicContact CG2-CD1 4.1Å; T110-I163 HydrophobicContact CG2-CG1 4.42Å
111E92.5Very high95.5Very high115 Ų11552.5 Ų52.554%0.53727%0.266SS..Hα-helixtrans-61.3-39.3178.2-171.2177.9176.300112.2A107 L113A107-E111 PolarHBondContact O-N 3.18Å; A107-E111 VanDerWaalsContact O-N 3.1Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.41Å
112S90.1Very high95.4Very high66 Ų6652.6 Ų52.646%0.46227%0.268SS..THydrogen-bonded Turntrans-81.9-3.7178.660.50000114.4A109 T110 H162A109-S112 PolarHBondContact O-OG 2.91Å; T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact O-N 3.29Å; S112-H162 PolarHBondContact OG-NE2 3.1Å; S112-H162 VanDerWaalsContact OG-NE2 3.16Å
113L94.5Very high95.4Very high19 Ų1955.2 Ų55.210%0.09929%0.293CS..  trans-105.694.2-169.5-174.457.3000111.8T110 E111 Y120 F121 M159 H162 I163T110-L113 PolarHBondContact O-N 2.94Å; T110-L113 VanDerWaalsContact O-N 3.16Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.41Å; L113-Y120 HydrophobicContact CD1-CD2 4.32Å; L113-Y120 HydrophobicContact CG-CD2 4.06Å; L113-F121 HydrophobicContact CD2-CD2 4.4Å; L113-F121 HydrophobicContact CD2-CE2 3.74Å; L113-F121 HydrophobicContact CG-CE2 4.4Å; L113-M159 HydrophobicContact CD2-CB 4.12Å; L113-M159 HydrophobicContact CD2-CG 4.19Å; L113-H162 HydrophobicContact CD1-CB 4.03Å; L113-H162 HydrophobicContact CD2-CB 4.28Å; L113-I163 HydrophobicContact CD2-CD1 4.04Å; L113-I163 HydrophobicContact CD2-CG1 3.84Å
114H94.6Very high95.3Very high72 Ų7255.9 Ų55.933%0.33329%0.291SS..BIsolated β-bridgetrans-139.5163177.36177.4000112H20 I21H20-H114 VanDerWaalsContact CB-NE2 3.28Å; H20-H114 WeakPolarHBondContact CB-NE2 3.25Å; I21-H114 HydrophobicContact CG2-CB 4.24Å
115G92.9Very high95.4Very high11 Ų1152.7 Ų52.711%0.11328%0.276CS..  trans-85.1-173172.100000112.5R118 Y120G115-R118 PolarHBondContact N-O 2.96Å; G115-Y120 WeakPolarHBondContact CA-OH 3.41Å; G115-Y120 VanDerWaalsContact N-CE1 3.34Å
116R91.8Very high95.3Very high241 Ų24157.9 Ų57.991%0.90930%0.297SS*.SBendtrans-60.6-44.3173.2-177.3-178.8172161.1-1.3112.3
117T92.4Very high95.2Very high94 Ų9460 Ų6058%0.57731%0.31SS*.SBendtrans-130.6-1.4-175.859.20000113.2
118R94.9Very high95.2Very high66 Ų6658.5 Ų58.525%0.24930%0.298CS..  trans-119.4128.7-173.8-69.1-179.9175.9-179.4-1.7110.6G115 Y120 N131 N133 T135G115-R118 PolarHBondContact N-O 2.96Å; R118-Y120 HydrophobicContact CB-CD1 4.31Å; R118-Y120 HydrophobicContact CB-CE1 4.11Å; R118-Y120 WeakPolarHBondContact O-CD1 3.36Å; R118-N131 WeakPolarHBondContact CA-O 3.39Å; R118-N133 PolarHBondContact NH2-O 2.86Å; R118-T135 HydrophobicContact CG-CG2 4.36Å
119V96.2Very high95.2Very high16 Ų1657.1 Ų57.110%0.09729%0.293CS..BIsolated β-bridgetrans-74132.6163.7-179.90000108F121 L128 N131 I148V119-F121 WeakPolarHBondContact CG1-O 3.34Å; V119-L128 HydrophobicContact CB-CD2 4.09Å; V119-L128 HydrophobicContact CG1-CD2 3.78Å; V119-L128 WeakPolarHBondContact O-CD2 3.49Å; V119-N131 HydrophobicContact CB-CB 4.11Å; V119-N131 HydrophobicContact CG2-CB 3.59Å; V119-I148 WeakPolarHBondContact O-CG2 3.42Å
120Y97.8Very high95.1Very high20 Ų2065.8 Ų65.88%0.07833%0.331CS..  trans-92.8-39.3-177.4-68.2-5.2000112.4L113 G115 R118 V147 I148 R155 M159L113-Y120 HydrophobicContact CD1-CD2 4.32Å; L113-Y120 HydrophobicContact CG-CD2 4.06Å; G115-Y120 WeakPolarHBondContact CA-OH 3.41Å; G115-Y120 VanDerWaalsContact N-CE1 3.34Å; R118-Y120 HydrophobicContact CB-CD1 4.31Å; R118-Y120 HydrophobicContact CB-CE1 4.11Å; R118-Y120 WeakPolarHBondContact O-CD1 3.36Å; Y120-V147 VanDerWaalsContact O-CA 3.31Å; Y120-V147 WeakPolarHBondContact O-CA 3.47Å; Y120-I148 HydrophobicContact CD1-CD1 3.35Å; Y120-I148 HydrophobicContact CD1-CG1 4.09Å; Y120-I148 HydrophobicContact CE1-CD1 3.73Å; Y120-I148 HydrophobicContact CG-CD1 4.18Å; Y120-I148 HydrophobicContact CG-CG1 4.48Å; Y120-I148 PolarHBondContact O-N 2.9Å; Y120-R155 PolarHBondContact OH-NH1 2.73Å; Y120-M159 HydrophobicContact CD2-CG 3.91Å; Y120-M159 HydrophobicContact CD2-SD 3.63Å; Y120-M159 HydrophobicContact CE2-CG 4.17Å; Y120-M159 HydrophobicContact CE2-SD 4.18Å; Y120-M159 HydrophobicContact CG-SD 4.07Å
121F98.2Very high94.9Very high14 Ų1467 Ų676%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-125141.5-179.6-64.3-91.4000110.6L95 F106 T110 L113 V119 Y145 W146 V147 M159 I163L95-F121 HydrophobicContact CD1-CE1 3.83Å; L95-F121 HydrophobicContact CD1-CZ 4.22Å; L95-F121 HydrophobicContact CD2-CE1 3.85Å; L95-F121 HydrophobicContact CD2-CZ 3.84Å; L95-F121 HydrophobicContact CG-CE1 4.47Å; F106-F121 HydrophobicContact CZ-CE1 4.39Å; T110-F121 HydrophobicContact CG2-CB 4.29Å; T110-F121 HydrophobicContact CG2-CD1 3.94Å; T110-F121 HydrophobicContact CG2-CD2 3.9Å; T110-F121 HydrophobicContact CG2-CE1 4.22Å; T110-F121 HydrophobicContact CG2-CE2 4.21Å; T110-F121 HydrophobicContact CG2-CG 3.77Å; T110-F121 HydrophobicContact CG2-CZ 4.35Å; L113-F121 HydrophobicContact CD2-CD2 4.4Å; L113-F121 HydrophobicContact CD2-CE2 3.74Å; L113-F121 HydrophobicContact CG-CE2 4.4Å; V119-F121 WeakPolarHBondContact CG1-O 3.34Å; F121-Y145 HydrophobicContact CB-CD1 4.21Å; F121-W146 VanDerWaalsContact CA-O 3.28Å; F121-W146 WeakPolarHBondContact CA-O 3.49Å; F121-V147 HydrophobicContact CD1-CB 3.91Å; F121-V147 HydrophobicContact CD1-CG2 3.85Å; F121-V147 HydrophobicContact CE1-CB 3.74Å; F121-V147 HydrophobicContact CE1-CG2 3.39Å; F121-V147 HydrophobicContact CE2-CG2 4.23Å; F121-V147 HydrophobicContact CG-CG2 4.46Å; F121-V147 HydrophobicContact CZ-CB 4.45Å; F121-V147 HydrophobicContact CZ-CG2 3.6Å; F121-M159 HydrophobicContact CE2-SD 4.39Å; F121-I163 HydrophobicContact CE1-CD1 4.47Å; F121-I163 HydrophobicContact CE2-CD1 4.07Å; F121-I163 HydrophobicContact CZ-CD1 3.72Å
122A96.7Very high94.8Very high10 Ų1062.1 Ų62.18%0.08332%0.317CS..EExtended strand (participates in β ladder)trans-152164.9174.400000110.7D124 T127 L128 Y145 W146A122-D124 WeakPolarHBondContact CB-O 3.41Å; A122-D124 PolarHBondContact O-N 3.27Å; A122-T127 HydrophobicContact CB-CG2 3.66Å; A122-L128 HydrophobicContact CB-CD2 3.63Å; A122-L128 HydrophobicContact CB-CG 3.85Å; A122-Y145 WeakPolarHBondContact O-CA 3.4Å; A122-W146 PolarHBondContact N-O 3.43Å; A122-W146 VanDerWaalsContact N-O 3.12Å; A122-W146 PolarHBondContact O-N 3.09Å
123A95.9Very high94.8Very high77 Ų7765.5 Ų65.564%0.63633%0.331SS*.SBendtrans-76.9-10.5174.800000113.3S144A123-S144 WeakPolarHBondContact CA-O 3.43Å
124D95.4Very high94.7Very high57 Ų5771.3 Ų71.331%0.30536%0.357SS..SBendtrans-145.8157-177.968.591.4000111.7A122 Q126 T127A122-D124 WeakPolarHBondContact CB-O 3.41Å; A122-D124 PolarHBondContact O-N 3.27Å; D124-Q126 WeakPolarHBondContact OD1-CA 3.35Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.46Å; D124-Q126 PolarHBondContact OD1-N 2.89Å; D124-Q126 VanDerWaalsContact OD1-N 3.12Å; D124-T127 VanDerWaalsContact CG-OG1 3.28Å; D124-T127 PolarHBondContact OD1-N 2.96Å; D124-T127 PolarHBondContact OD1-OG1 3.31Å; D124-T127 VanDerWaalsContact OD1-OG1 3.04Å; D124-T127 PolarHBondContact OD2-OG1 3.11Å
125E97Very high94.7Very high65 Ų6567.9 Ų67.930%0.30434%0.341SS..Hα-helixtrans-67.7-37.4-178.6-169.5178-169.700112.1T127 L128 L129 P137 W146E125-T127 VanDerWaalsContact C-N 3.34Å; E125-T127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 3.49Å; E125-L128 VanDerWaalsContact O-N 3.15Å; E125-L129 HydrophobicContact CG-CD1 4.04Å; E125-L129 HydrophobicContact CG-CG 4.42Å; E125-L129 PolarHBondContact O-N 3.17Å; E125-L129 VanDerWaalsContact O-N 3.12Å; E125-P137 HydrophobicContact CG-CB 4Å; E125-P137 HydrophobicContact CG-CG 3.48Å; E125-P137 VanDerWaalsContact CG-CG 3.48Å; E125-W146 HydrophobicContact CB-CD2 3.83Å; E125-W146 HydrophobicContact CB-CE3 3.72Å; E125-W146 HydrophobicContact CB-CH2 3.92Å; E125-W146 HydrophobicContact CB-CZ2 4.04Å; E125-W146 HydrophobicContact CB-CZ3 3.76Å; E125-W146 VanDerWaalsContact CD-CZ3 3.48Å; E125-W146 HydrophobicContact CG-CD2 4.38Å; E125-W146 HydrophobicContact CG-CE3 3.76Å; E125-W146 HydrophobicContact CG-CH2 4.12Å; E125-W146 HydrophobicContact CG-CZ3 3.6Å
126Q95.7Very high94.9Very high125 Ų12573.5 Ų73.558%0.58436%0.362SS*.Hα-helixtrans-65-38.1-172.9-7171.517.300111.6D124 L128 L129 K130D124-Q126 WeakPolarHBondContact OD1-CA 3.35Å; D124-Q126 WeakPolarHBondContact OD1-CB 3.46Å; D124-Q126 PolarHBondContact OD1-N 2.89Å; D124-Q126 VanDerWaalsContact OD1-N 3.12Å; Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 3.16Å; Q126-L129 PolarHBondContact O-N 2.95Å; Q126-K130 VanDerWaalsContact O-CB 3.26Å; Q126-K130 WeakPolarHBondContact O-CB 3.21Å; Q126-K130 PolarHBondContact O-N 2.89Å
127T94.9Very high95.2Very high43 Ų4362.8 Ų62.826%0.26432%0.324SS..Hα-helixtrans-58.5-40.2175.2-67.20000111.4A122 D124 E125 N131A122-T127 HydrophobicContact CB-CG2 3.66Å; D124-T127 VanDerWaalsContact CG-OG1 3.28Å; D124-T127 PolarHBondContact OD1-N 2.96Å; D124-T127 PolarHBondContact OD1-OG1 3.31Å; D124-T127 VanDerWaalsContact OD1-OG1 3.04Å; D124-T127 PolarHBondContact OD2-OG1 3.11Å; E125-T127 VanDerWaalsContact C-N 3.34Å; E125-T127 PolarHBondContact O-N 3.49Å; T127-N131 PolarHBondContact O-N 3.35Å; T127-N131 PolarHBondContact O-ND2 2.97Å
128L97Very high95.5Very high0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-73.3-34.9178.3-59.6-175.4000113V119 A122 E125 Q126 G132 T135 P137 W146 I148V119-L128 HydrophobicContact CB-CD2 4.09Å; V119-L128 HydrophobicContact CG1-CD2 3.78Å; V119-L128 WeakPolarHBondContact O-CD2 3.49Å; A122-L128 HydrophobicContact CB-CD2 3.63Å; A122-L128 HydrophobicContact CB-CG 3.85Å; E125-L128 PolarHBondContact O-N 3.49Å; E125-L128 VanDerWaalsContact O-N 3.15Å; Q126-L128 VanDerWaalsContact C-N 3.28Å; Q126-L128 PolarHBondContact O-N 3.16Å; L128-G132 PolarHBondContact O-N 3.14Å; L128-T135 PolarHBondContact O-OG1 3.32Å; L128-P137 HydrophobicContact CB-CB 4.1Å; L128-P137 HydrophobicContact CD1-CB 3.75Å; L128-W146 HydrophobicContact CD1-CB 3.61Å; L128-I148 HydrophobicContact CB-CG2 4.14Å; L128-I148 HydrophobicContact CD1-CG2 4.04Å; L128-I148 HydrophobicContact CD2-CG2 4.13Å; L128-I148 HydrophobicContact CG-CG2 4.34Å
129L96.5Very high95.7Very high79 Ų7963.5 Ų63.541%0.41432%0.322SS..Hα-helixtrans-72.3-39.9176.1-67.6173.8000111.6E125 Q126 N131 G132 P137E125-L129 HydrophobicContact CG-CD1 4.04Å; E125-L129 HydrophobicContact CG-CG 4.42Å; E125-L129 PolarHBondContact O-N 3.17Å; E125-L129 VanDerWaalsContact O-N 3.12Å; Q126-L129 PolarHBondContact O-N 2.95Å; L129-N131 PolarHBondContact O-N 2.91Å; L129-G132 CarbonylContact O-C 3.46Å; L129-G132 PolarHBondContact O-N 3.17Å; L129-P137 HydrophobicContact CD2-CG 3.77Å; L129-P137 HydrophobicContact CG-CG 3.97Å
130K94.8Very high95.8Very high182 Ų18262.8 Ų62.879%0.79132%0.318SS*.Hα-helixtrans-64.5-40.2178.6-175.6179.1178.9-176.90111.8Q126 G132Q126-K130 VanDerWaalsContact O-CB 3.26Å; Q126-K130 WeakPolarHBondContact O-CB 3.21Å; Q126-K130 PolarHBondContact O-N 2.89Å; K130-G132 VanDerWaalsContact C-N 3.32Å
131N92.7Very high95.8Very high36 Ų3665.4 Ų65.419%0.19334%0.337CS..THydrogen-bonded Turntrans-93.119.7-180-64.8-75.2000112.7G22 R118 V119 T127 L129G22-N131 WeakPolarHBondContact CA-OD1 3.36Å; R118-N131 WeakPolarHBondContact CA-O 3.39Å; V119-N131 HydrophobicContact CB-CB 4.11Å; V119-N131 HydrophobicContact CG2-CB 3.59Å; T127-N131 PolarHBondContact O-N 3.35Å; T127-N131 PolarHBondContact O-ND2 2.97Å; L129-N131 PolarHBondContact O-N 2.91Å
132G91.3Very high95.8Very high11 Ų1168.4 Ų68.411%0.11337%0.372CS..  trans178.7125.3176.900000115.2L128 L129 K130 T135L128-G132 PolarHBondContact O-N 3.14Å; L129-G132 CarbonylContact O-C 3.46Å; L129-G132 PolarHBondContact O-N 3.17Å; K130-G132 VanDerWaalsContact C-N 3.32Å; G132-T135 WeakPolarHBondContact O-CG2 3.47Å; G132-T135 PolarHBondContact O-OG1 3.22Å
133N88.8Confident95.8Very high138 Ų13868.6 Ų68.674%0.73837%0.372SS*.THydrogen-bonded Turntrans-72.9138.9172.5-72.4-12.6000111.7R118 T135R118-N133 PolarHBondContact NH2-O 2.86Å; N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 3.39Å
134Q92.8Very high95.9Very high141 Ų14168 Ų6866%0.65936%0.364SS*.THydrogen-bonded Turntrans55.635.7175.5-63.1-69.9-16.200113.2K136 N150Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.2Å; Q134-N150 WeakPolarHBondContact O-CB 3.47Å; Q134-N150 PolarHBondContact O-ND2 2.66Å
135T95.8Very high96Very high0 Ų067.1 Ų67.10%036%0.357CS..  trans-74.1-18.5-178.845.40000113.9R118 L128 G132 N133 I148 T149 N150R118-T135 HydrophobicContact CG-CG2 4.36Å; L128-T135 PolarHBondContact O-OG1 3.32Å; G132-T135 WeakPolarHBondContact O-CG2 3.47Å; G132-T135 PolarHBondContact O-OG1 3.22Å; N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 3.39Å; T135-I148 HydrophobicContact CG2-CB 4.48Å; T135-I148 HydrophobicContact CG2-CG2 3.95Å; T135-T149 PolarHBondContact O-N 2.97Å; T135-N150 WeakPolarHBondContact O-CB 3.09Å; T135-N150 PolarHBondContact O-N 3.46Å
136K97.4Very high96.1Very high128 Ų12866.9 Ų66.956%0.55735%0.353SS*.  trans4860.6-177-61.1-174.6178.8-176.80111Q134 T149 N150Q134-K136 VanDerWaalsContact C-N 3.3Å; Q134-K136 PolarHBondContact O-N 3.2Å; K136-T149 WeakPolarHBondContact O-CB 3.41Å; K136-T149 PolarHBondContact O-N 3.43Å; K136-T149 VanDerWaalsContact O-N 3.15Å; K136-T149 PolarHBondContact O-OG1 3.27Å; K136-N150 HydrophobicContact CB-CB 4.19Å; K136-N150 HydrophobicContact CD-CB 4.33Å; K136-N150 HydrophobicContact CG-CB 4.17Å
137P98Very high96.2Very high17 Ų1760.9 Ų60.911%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-59.9148-179.629.5-37000111.1E125 L128 L129 W146 V147E125-P137 HydrophobicContact CG-CB 4Å; E125-P137 HydrophobicContact CG-CG 3.48Å; E125-P137 VanDerWaalsContact CG-CG 3.48Å; L128-P137 HydrophobicContact CB-CB 4.1Å; L128-P137 HydrophobicContact CD1-CB 3.75Å; L129-P137 HydrophobicContact CD2-CG 3.77Å; L129-P137 HydrophobicContact CG-CG 3.97Å; P137-W146 HydrophobicContact CB-CE3 4.21Å; P137-V147 CarbonylContact C-O 3.54Å; P137-V147 WeakPolarHBondContact CA-O 3.47Å
138K98.5Very high96.4Very high91 Ų9158.9 Ų58.940%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-136.7140.6171-67.8-164.8-174.9-171.80109.9M92 W146 V147 T149M92-K138 HydrophobicContact CE-CB 3.99Å; M92-K138 HydrophobicContact SD-CB 4.37Å; K138-W146 VanDerWaalsContact C-CE3 3.44Å; K138-W146 WeakPolarHBondContact O-CA 3.25Å; K138-V147 PolarHBondContact N-O 3.44Å; K138-V147 PolarHBondContact O-N 3.46Å; K138-T149 HydrophobicContact CB-CG2 3.79Å; K138-T149 HydrophobicContact CD-CG2 3.82Å; K138-T149 HydrophobicContact CG-CG2 3.59Å
139H98.6Very high96.4Very high84 Ų8459.7 Ų59.739%0.38932%0.317SS..EExtended strand (participates in β ladder)trans-67.7134.9170.9-179-96.9000110.6M92 P141 T143 W146M92-H139 WeakPolarHBondContact CE-O 3.48Å; H139-P141 WeakPolarHBondContact O-CD 3.25Å; H139-T143 PolarHBondContact CE1-O 3Å; H139-T143 PolarHBondContact NE2-O 3.15Å; H139-W146 HydrophobicContact CB-CD2 4.04Å; H139-W146 HydrophobicContact CB-CE3 4.13Å; H139-W146 HydrophobicContact CB-CH2 4.08Å; H139-W146 HydrophobicContact CB-CZ2 3.96Å; H139-W146 HydrophobicContact CB-CZ3 4.16Å; H139-W146 AromaticContact CD2-CE2 3.97Å; H139-W146 AromaticContact CD2-NE1 3.75Å; H139-W146 VanDerWaalsContact N-CE3 3.27Å
140V98.6Very high96.5Very high0 Ų059.2 Ų59.20%032%0.315CS..  trans-85.7113.9176.2-177.50000109.2M92 L95 S96 G142 T143 Y145 V147M92-V140 HydrophobicContact CE-CB 4.07Å; M92-V140 HydrophobicContact CE-CG2 3.66Å; L95-V140 HydrophobicContact CB-CG1 3.69Å; L95-V140 HydrophobicContact CB-CG2 4.39Å; L95-V140 HydrophobicContact CD1-CG2 4Å; S96-V140 WeakPolarHBondContact OG-CG1 3.25Å; V140-G142 PolarHBondContact O-N 2.92Å; V140-T143 HydrophobicContact CB-CG2 4.17Å; V140-T143 WeakPolarHBondContact CB-OG1 3.48Å; V140-T143 HydrophobicContact CG1-CG2 3.69Å; V140-T143 PolarHBondContact O-N 3.48Å; V140-T143 PolarHBondContact O-OG1 3.46Å; V140-Y145 PolarHBondContact N-O 3.45Å; V140-V147 HydrophobicContact CG2-CB 4.09Å; V140-V147 HydrophobicContact CG2-CG1 3.66Å
141P98.1Very high96.6Very high75 Ų7551.5 Ų51.549%0.48728%0.283SS..THydrogen-bonded Turntrans-54136.2-175-26.835.1000113.3S96 H139 T143S96-P141 WeakPolarHBondContact CB-O 3.25Å; S96-P141 WeakPolarHBondContact OG-CD 3.44Å; S96-P141 PolarHBondContact OG-O 2.96Å; H139-P141 WeakPolarHBondContact O-CD 3.25Å; P141-T143 VanDerWaalsContact C-N 3.28Å; P141-T143 PolarHBondContact O-N 3.25Å
142G97.2Very high96.8Very high77 Ų7755.1 Ų55.179%0.79430%0.303SS*.THydrogen-bonded Turntrans74.612.3179.100000115.2V140V140-G142 PolarHBondContact O-N 2.92Å
143T97.7Very high97.2Very high14 Ų1457.7 Ų57.79%0.08632%0.316CS..SBendtrans-130.6171.3-178.682.90000111.2Y99 H139 V140 P141 Y145Y99-T143 HydrophobicContact CD1-CG2 3.45Å; Y99-T143 VanDerWaalsContact CD1-CG2 3.45Å; Y99-T143 HydrophobicContact CD2-CG2 4.32Å; Y99-T143 HydrophobicContact CE1-CG2 4.16Å; Y99-T143 HydrophobicContact CG-CG2 3.54Å; H139-T143 PolarHBondContact CE1-O 3Å; H139-T143 PolarHBondContact NE2-O 3.15Å; V140-T143 HydrophobicContact CB-CG2 4.17Å; V140-T143 WeakPolarHBondContact CB-OG1 3.48Å; V140-T143 HydrophobicContact CG1-CG2 3.69Å; V140-T143 PolarHBondContact O-N 3.48Å; V140-T143 PolarHBondContact O-OG1 3.46Å; P141-T143 VanDerWaalsContact C-N 3.28Å; P141-T143 PolarHBondContact O-N 3.25Å; T143-Y145 VanDerWaalsContact C-N 3.33Å; T143-Y145 PolarHBondContact OG1-N 3.22Å
144S96.3Very high97.6Very high66 Ų6653.2 Ų53.246%0.46230%0.303SS..SBendtrans-91.911168.154.80000113.4A123A123-S144 WeakPolarHBondContact CA-O 3.43Å
145Y98.5Very high97.8Very high38 Ų3851.6 Ų51.615%0.14929%0.291CS..  trans-103.6142.9-172.5-75.5-85.8000113Y99 F106 A107 F121 A122 V140 T143Y99-Y145 HydrophobicContact CD2-CD2 4.07Å; Y99-Y145 HydrophobicContact CD2-CE2 4.05Å; Y99-Y145 HydrophobicContact CE2-CD2 4.02Å; Y99-Y145 AromaticContact CE2-CE2 3.8Å; Y99-Y145 HydrophobicContact CE2-CE2 3.8Å; F106-Y145 HydrophobicContact CD1-CD2 4.11Å; F106-Y145 AromaticContact CD1-CE2 3.87Å; F106-Y145 HydrophobicContact CD1-CE2 3.87Å; F106-Y145 AromaticContact CE1-CD2 3.74Å; F106-Y145 HydrophobicContact CE1-CD2 3.74Å; F106-Y145 AromaticContact CE1-CE2 3.93Å; F106-Y145 HydrophobicContact CE1-CE2 3.93Å; F106-Y145 HydrophobicContact CE1-CG 4.05Å; A107-Y145 VanDerWaalsContact CA-OH 3.28Å; A107-Y145 WeakPolarHBondContact CA-OH 3.48Å; A107-Y145 VanDerWaalsContact CB-OH 3.26Å; A107-Y145 WeakPolarHBondContact CB-OH 3.43Å; F121-Y145 HydrophobicContact CB-CD1 4.21Å; A122-Y145 WeakPolarHBondContact O-CA 3.4Å; V140-Y145 PolarHBondContact N-O 3.45Å; T143-Y145 VanDerWaalsContact C-N 3.33Å; T143-Y145 PolarHBondContact OG1-N 3.22Å
146W98.5Very high98Very high59 Ų5952.1 Ų52.122%0.22329%0.293CS..EExtended strand (participates in β ladder)trans-104.1148161.4-69.476000109.5F121 A122 E125 L128 P137 K138 H139F121-W146 VanDerWaalsContact CA-O 3.28Å; F121-W146 WeakPolarHBondContact CA-O 3.49Å; A122-W146 PolarHBondContact N-O 3.43Å; A122-W146 VanDerWaalsContact N-O 3.12Å; A122-W146 PolarHBondContact O-N 3.09Å; E125-W146 HydrophobicContact CB-CD2 3.83Å; E125-W146 HydrophobicContact CB-CE3 3.72Å; E125-W146 HydrophobicContact CB-CH2 3.92Å; E125-W146 HydrophobicContact CB-CZ2 4.04Å; E125-W146 HydrophobicContact CB-CZ3 3.76Å; E125-W146 VanDerWaalsContact CD-CZ3 3.48Å; E125-W146 HydrophobicContact CG-CD2 4.38Å; E125-W146 HydrophobicContact CG-CE3 3.76Å; E125-W146 HydrophobicContact CG-CH2 4.12Å; E125-W146 HydrophobicContact CG-CZ3 3.6Å; L128-W146 HydrophobicContact CD1-CB 3.61Å; P137-W146 HydrophobicContact CB-CE3 4.21Å; K138-W146 VanDerWaalsContact C-CE3 3.44Å; K138-W146 WeakPolarHBondContact O-CA 3.25Å; H139-W146 HydrophobicContact CB-CD2 4.04Å; H139-W146 HydrophobicContact CB-CE3 4.13Å; H139-W146 HydrophobicContact CB-CH2 4.08Å; H139-W146 HydrophobicContact CB-CZ2 3.96Å; H139-W146 HydrophobicContact CB-CZ3 4.16Å; H139-W146 AromaticContact CD2-CE2 3.97Å; H139-W146 AromaticContact CD2-NE1 3.75Å; H139-W146 VanDerWaalsContact N-CE3 3.27Å
147V98.7Very high98Very high0 Ų047.1 Ų47.10%027%0.274CS..EExtended strand (participates in β ladder)trans-133.4144.6176.667.80000111.7F91 M92 L95 Y120 F121 P137 K138 V140 T149F91-V147 HydrophobicContact CE1-CG1 4.04Å; F91-V147 HydrophobicContact CE1-CG2 3.78Å; F91-V147 HydrophobicContact CZ-CG2 3.89Å; M92-V147 HydrophobicContact CE-CG1 3.9Å; M92-V147 HydrophobicContact SD-CG1 3.59Å; M92-V147 VanDerWaalsContact SD-CG1 3.59Å; L95-V147 HydrophobicContact CD1-CB 4.21Å; L95-V147 HydrophobicContact CD1-CG1 3.9Å; L95-V147 HydrophobicContact CD1-CG2 4.12Å; Y120-V147 VanDerWaalsContact O-CA 3.31Å; Y120-V147 WeakPolarHBondContact O-CA 3.47Å; F121-V147 HydrophobicContact CD1-CB 3.91Å; F121-V147 HydrophobicContact CD1-CG2 3.85Å; F121-V147 HydrophobicContact CE1-CB 3.74Å; F121-V147 HydrophobicContact CE1-CG2 3.39Å; F121-V147 HydrophobicContact CE2-CG2 4.23Å; F121-V147 HydrophobicContact CG-CG2 4.46Å; F121-V147 HydrophobicContact CZ-CB 4.45Å; F121-V147 HydrophobicContact CZ-CG2 3.6Å; P137-V147 CarbonylContact C-O 3.54Å; P137-V147 WeakPolarHBondContact CA-O 3.47Å; K138-V147 PolarHBondContact N-O 3.44Å; K138-V147 PolarHBondContact O-N 3.46Å; V140-V147 HydrophobicContact CG2-CB 4.09Å; V140-V147 HydrophobicContact CG2-CG1 3.66Å; V147-T149 HydrophobicContact CG1-CG2 4.46Å
148I98.4Very high98Very high0 Ų049.4 Ų49.40%029%0.29CS..EExtended strand (participates in β ladder)trans-71.3138.4172.669.5169.6000111.2V119 Y120 L128 T135 T151V119-I148 WeakPolarHBondContact O-CG2 3.42Å; Y120-I148 HydrophobicContact CD1-CD1 3.35Å; Y120-I148 HydrophobicContact CD1-CG1 4.09Å; Y120-I148 HydrophobicContact CE1-CD1 3.73Å; Y120-I148 HydrophobicContact CG-CD1 4.18Å; Y120-I148 HydrophobicContact CG-CG1 4.48Å; Y120-I148 PolarHBondContact O-N 2.9Å; L128-I148 HydrophobicContact CB-CG2 4.14Å; L128-I148 HydrophobicContact CD1-CG2 4.04Å; L128-I148 HydrophobicContact CD2-CG2 4.13Å; L128-I148 HydrophobicContact CG-CG2 4.34Å; T135-I148 HydrophobicContact CG2-CB 4.48Å; T135-I148 HydrophobicContact CG2-CG2 3.95Å; I148-T151 HydrophobicContact CD1-CG2 3.97Å; I148-T151 HydrophobicContact CG1-CG2 4.2Å
149T98.2Very high98Very high17 Ų1745.1 Ų45.110%0.10427%0.272CS..  trans-115.9-12.8-178.371.10000115V88 M92 T135 K136 K138 V147 T151 K156V88-T149 HydrophobicContact CG2-CG2 3.96Å; M92-T149 HydrophobicContact SD-CG2 4.37Å; T135-T149 PolarHBondContact O-N 2.97Å; K136-T149 WeakPolarHBondContact O-CB 3.41Å; K136-T149 PolarHBondContact O-N 3.43Å; K136-T149 VanDerWaalsContact O-N 3.15Å; K136-T149 PolarHBondContact O-OG1 3.27Å; K138-T149 HydrophobicContact CB-CG2 3.79Å; K138-T149 HydrophobicContact CD-CG2 3.82Å; K138-T149 HydrophobicContact CG-CG2 3.59Å; V147-T149 HydrophobicContact CG1-CG2 4.46Å; T149-T151 PolarHBondContact O-N 2.96Å; T149-K156 PolarHBondContact O-NZ 3.43Å
150N97.4Very high98Very high69 Ų6941.1 Ų41.137%0.36925%0.253SS..  trans-7768.6174-168.124.8000112.1Q134 T135 K136Q134-N150 WeakPolarHBondContact O-CB 3.47Å; Q134-N150 PolarHBondContact O-ND2 2.66Å; T135-N150 WeakPolarHBondContact O-CB 3.09Å; T135-N150 PolarHBondContact O-N 3.46Å; K136-N150 HydrophobicContact CB-CB 4.19Å; K136-N150 HydrophobicContact CD-CB 4.33Å; K136-N150 HydrophobicContact CG-CB 4.17Å
151T97.4Very high98Very high20 Ų2045.1 Ų45.112%0.12327%0.272CS..SBendtrans-139.7149.718055.80000109.3I148 T149 R155 K156 M159I148-T151 HydrophobicContact CD1-CG2 3.97Å; I148-T151 HydrophobicContact CG1-CG2 4.2Å; T149-T151 PolarHBondContact O-N 2.96Å; T151-R155 HydrophobicContact CG2-CG 4.16Å; T151-K156 PolarHBondContact O-NZ 3.36Å; T151-K156 PolarHBondContact OG1-NZ 3.32Å; T151-M159 HydrophobicContact CG2-CE 4.37Å
152N97.5Very high98.1Very high112 Ų11244.5 Ų44.560%0.59926%0.262SS*.  trans-71.5168.8172.162.725.5000111.3G154 R155 K156N152-G154 PolarHBondContact O-N 2.86Å; N152-R155 PolarHBondContact O-N 3.48Å; N152-R155 VanDerWaalsContact OD1-CB 3.31Å; N152-R155 WeakPolarHBondContact OD1-CB 3.3Å; N152-R155 PolarHBondContact OD1-N 3.08Å; N152-K156 PolarHBondContact O-N 3.27Å
153T98Very high98.1Very high65 Ų6540.8 Ų40.840%0.39922%0.224SC..Hα-helixtrans-59.2-44.6-179.5-53.50000111.8A87 R155 K156 C157 I181A87-T153 HydrophobicContact CB-CG2 4.45Å; T153-R155 VanDerWaalsContact C-N 3.3Å; T153-R155 PolarHBondContact O-N 2.68Å; T153-K156 WeakPolarHBondContact O-CA 3.32Å; T153-K156 WeakPolarHBondContact O-CB 3.13Å; T153-K156 PolarHBondContact O-N 3.11Å; T153-C157 PolarHBondContact O-N 3.3Å; T153-C157 PolarHBondContact O-SG 3.27Å; T153-I181 HydrophobicContact CG2-CG2 4.14Å; T153-I181 VanDerWaalsContact CG2-OXT 3.32Å; T153-I181 WeakPolarHBondContact CG2-OXT 3.28Å
154G98.1Very high98.2Very high44 Ų4440.1 Ų40.145%0.45422%0.22SC..Hα-helixtrans-55.6-42.4178.400000113.3N152 K156 C157 S158N152-G154 PolarHBondContact O-N 2.86Å; G154-K156 PolarHBondContact O-N 3.02Å; G154-C157 WeakPolarHBondContact O-CB 3.27Å; G154-C157 PolarHBondContact O-N 3.09Å; G154-S158 PolarHBondContact O-N 3.32Å; G154-S158 PolarHBondContact O-OG 2.94Å; G154-S158 VanDerWaalsContact O-OG 3.12Å
155R97.9Very high98.3Very high108 Ų10842.1 Ų42.141%0.40822%0.222SC..Hα-helixtrans-69-32.3175.4-175.8167-62.5-1695.1112.9Y120 T151 N152 T153 S158 M159Y120-R155 PolarHBondContact OH-NH1 2.73Å; T151-R155 HydrophobicContact CG2-CG 4.16Å; N152-R155 PolarHBondContact O-N 3.48Å; N152-R155 VanDerWaalsContact OD1-CB 3.31Å; N152-R155 WeakPolarHBondContact OD1-CB 3.3Å; N152-R155 PolarHBondContact OD1-N 3.08Å; T153-R155 VanDerWaalsContact C-N 3.3Å; T153-R155 PolarHBondContact O-N 2.68Å; R155-S158 PolarHBondContact O-N 3.05Å; R155-M159 HydrophobicContact CG-CE 4.38Å; R155-M159 WeakPolarHBondContact O-CG 3.35Å; R155-M159 PolarHBondContact O-N 3.09Å
156K98.5Very high98.2Very high10 Ų1042.9 Ų42.94%0.04323%0.233CC..Hα-helixtrans-63.6-43.7171.4-70.1175.3170.558.60110.7F91 T149 T151 N152 T153 G154 M159 I160 I181F91-K156 HydrophobicContact CB-CD 4.11Å; F91-K156 HydrophobicContact CD1-CD 4.41Å; F91-K156 HydrophobicContact CD1-CG 4.37Å; F91-K156 HydrophobicContact CD2-CB 3.88Å; F91-K156 HydrophobicContact CD2-CG 4.17Å; F91-K156 HydrophobicContact CE2-CB 4.26Å; F91-K156 HydrophobicContact CE2-CG 4.47Å; F91-K156 HydrophobicContact CG-CB 4.23Å; F91-K156 HydrophobicContact CG-CD 4.14Å; F91-K156 HydrophobicContact CG-CG 4.11Å; T149-K156 PolarHBondContact O-NZ 3.43Å; T151-K156 PolarHBondContact O-NZ 3.36Å; T151-K156 PolarHBondContact OG1-NZ 3.32Å; N152-K156 PolarHBondContact O-N 3.27Å; T153-K156 WeakPolarHBondContact O-CA 3.32Å; T153-K156 WeakPolarHBondContact O-CB 3.13Å; T153-K156 PolarHBondContact O-N 3.11Å; G154-K156 PolarHBondContact O-N 3.02Å; K156-M159 HydrophobicContact CB-CE 4.48Å; K156-M159 HydrophobicContact CG-CE 4.13Å; K156-M159 PolarHBondContact O-N 2.88Å; K156-I160 WeakPolarHBondContact O-CG1 3.41Å; K156-I160 PolarHBondContact O-N 3.01Å; K156-I181 HydrophobicContact CB-CG2 4.14Å
157C98.4Very high98.2Very high23 Ų2340.2 Ų40.216%0.15522%0.223CC..Hα-helixtrans-59.1-49.3173.1-56.80000111.1T153 G154 M159 I160 E161 C178T153-C157 PolarHBondContact O-N 3.3Å; T153-C157 PolarHBondContact O-SG 3.27Å; G154-C157 WeakPolarHBondContact O-CB 3.27Å; G154-C157 PolarHBondContact O-N 3.09Å; C157-M159 VanDerWaalsContact C-N 3.28Å; C157-M159 PolarHBondContact O-N 3.4Å; C157-I160 PolarHBondContact O-N 3.36Å; C157-I160 VanDerWaalsContact O-N 3.1Å; C157-E161 WeakPolarHBondContact O-CB 3.47Å; C157-E161 PolarHBondContact O-N 2.93Å; C157-C178 HydrophobicContact CB-CB 4.05Å; C157-C178 PolarHBondContact SG-O 3.34Å; C157-C178 VanDerWaalsContact SG-O 3.42Å
158S98.2Very high98.1Very high65 Ų6547.1 Ų47.146%0.45526%0.255SS..Hα-helixtrans-59.4-35.8177.9-54.40000113.4G154 R155 H162G154-S158 PolarHBondContact O-N 3.32Å; G154-S158 PolarHBondContact O-OG 2.94Å; G154-S158 VanDerWaalsContact O-OG 3.12Å; R155-S158 PolarHBondContact O-N 3.05Å; S158-H162 WeakPolarHBondContact O-CB 3.35Å; S158-H162 PolarHBondContact O-N 3.48Å
159M98.5Very high98.1Very high2 Ų247.7 Ų47.71%0.0126%0.258CS..Hα-helixtrans-66.3-45.2174.9-73-176.1-69.200111.6F91 L113 Y120 F121 T151 R155 K156 C157 I163F91-M159 HydrophobicContact CE1-CE 4.24Å; F91-M159 HydrophobicContact CE2-CB 4.12Å; F91-M159 HydrophobicContact CE2-CE 3.97Å; F91-M159 HydrophobicContact CZ-CB 4.42Å; F91-M159 HydrophobicContact CZ-CE 3.53Å; F91-M159 HydrophobicContact CZ-SD 4.18Å; L113-M159 HydrophobicContact CD2-CB 4.12Å; L113-M159 HydrophobicContact CD2-CG 4.19Å; Y120-M159 HydrophobicContact CD2-CG 3.91Å; Y120-M159 HydrophobicContact CD2-SD 3.63Å; Y120-M159 HydrophobicContact CE2-CG 4.17Å; Y120-M159 HydrophobicContact CE2-SD 4.18Å; Y120-M159 HydrophobicContact CG-SD 4.07Å; F121-M159 HydrophobicContact CE2-SD 4.39Å; T151-M159 HydrophobicContact CG2-CE 4.37Å; R155-M159 HydrophobicContact CG-CE 4.38Å; R155-M159 WeakPolarHBondContact O-CG 3.35Å; R155-M159 PolarHBondContact O-N 3.09Å; K156-M159 HydrophobicContact CB-CE 4.48Å; K156-M159 HydrophobicContact CG-CE 4.13Å; K156-M159 PolarHBondContact O-N 2.88Å; C157-M159 VanDerWaalsContact C-N 3.28Å; C157-M159 PolarHBondContact O-N 3.4Å; M159-I163 WeakPolarHBondContact O-CD1 3.36Å; M159-I163 VanDerWaalsContact O-CG1 3.25Å; M159-I163 WeakPolarHBondContact O-CG1 3.48Å; M159-I163 PolarHBondContact O-N 3.27Å; M159-I163 VanDerWaalsContact O-N 3.11Å
160I98.7Very high98.1Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-66.4-42.5177.3-66.5-59.3000111.3F91 L94 L95 L98 K156 C157 I163 M164 V177 I181F91-I160 HydrophobicContact CD2-CD1 3.8Å; F91-I160 HydrophobicContact CD2-CG1 3.69Å; F91-I160 HydrophobicContact CE2-CD1 3.79Å; F91-I160 HydrophobicContact CE2-CG1 3.83Å; L94-I160 HydrophobicContact CB-CD1 3.94Å; L94-I160 HydrophobicContact CD1-CD1 4.44Å; L94-I160 HydrophobicContact CD1-CG1 4.26Å; L94-I160 HydrophobicContact CD1-CG2 4.45Å; L95-I160 HydrophobicContact CD2-CD1 3.71Å; L95-I160 HydrophobicContact CG-CD1 4.08Å; L98-I160 HydrophobicContact CD1-CD1 4.23Å; K156-I160 WeakPolarHBondContact O-CG1 3.41Å; K156-I160 PolarHBondContact O-N 3.01Å; C157-I160 PolarHBondContact O-N 3.36Å; C157-I160 VanDerWaalsContact O-N 3.1Å; I160-I163 PolarHBondContact O-N 3.47Å; I160-M164 HydrophobicContact CG2-CG 4.03Å; I160-M164 HydrophobicContact CG2-SD 3.71Å; I160-M164 WeakPolarHBondContact O-CB 3.44Å; I160-M164 VanDerWaalsContact O-CG 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.32Å; I160-M164 PolarHBondContact O-N 3.13Å; I160-V177 HydrophobicContact CG2-CG1 3.82Å; I160-I181 HydrophobicContact CB-CD1 4.05Å; I160-I181 HydrophobicContact CG1-CD1 3.66Å; I160-I181 HydrophobicContact CG2-CD1 4.39Å
161E98.6Very high98.2Very high84 Ų8450.2 Ų50.239%0.39329%0.285SS..Hα-helixtrans-56.6-52.7176.3176174.7-146.700111.3C157 I163 M164 Q165 I174C157-E161 WeakPolarHBondContact O-CB 3.47Å; C157-E161 PolarHBondContact O-N 2.93Å; E161-I163 VanDerWaalsContact C-N 3.35Å; E161-I163 PolarHBondContact O-N 2.9Å; E161-M164 PolarHBondContact O-N 3.27Å; E161-Q165 HydrophobicContact CG-CG 4.33Å; E161-Q165 WeakPolarHBondContact O-CB 3.29Å; E161-Q165 VanDerWaalsContact O-CG 3.23Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.63Å; E161-Q165 PolarHBondContact OE1-NE2 3.3Å; E161-I174 HydrophobicContact CB-CG2 4.02Å; E161-I174 HydrophobicContact CG-CG2 3.94Å
162H98.5Very high98.2Very high61 Ų6154.7 Ų54.728%0.28231%0.305SS..Hα-helixtrans-56.5-48.1177.117995.2000111.8A109 S112 L113 S158 Q165 S166A109-H162 PolarHBondContact O-CD2 2.95Å; A109-H162 PolarHBondContact O-NE2 3.36Å; S112-H162 PolarHBondContact OG-NE2 3.1Å; S112-H162 VanDerWaalsContact OG-NE2 3.16Å; L113-H162 HydrophobicContact CD1-CB 4.03Å; L113-H162 HydrophobicContact CD2-CB 4.28Å; S158-H162 WeakPolarHBondContact O-CB 3.35Å; S158-H162 PolarHBondContact O-N 3.48Å; H162-Q165 PolarHBondContact O-N 3.49Å; H162-S166 WeakPolarHBondContact O-CB 3.4Å; H162-S166 PolarHBondContact O-N 3.45Å
163I98.6Very high98.2Very high0 Ų049.7 Ų49.70%028%0.278CS..Hα-helixtrans-62.6-48.1-179.2-67.7167000110.6L95 L98 F106 A109 T110 L113 F121 M159 I160 E161 Q165 S166 M167L95-I163 HydrophobicContact CD2-CD1 3.67Å; L98-I163 HydrophobicContact CD1-CG2 4.02Å; F106-I163 HydrophobicContact CD2-CG2 3.97Å; F106-I163 HydrophobicContact CE2-CD1 4.31Å; F106-I163 HydrophobicContact CE2-CG2 4.14Å; A109-I163 HydrophobicContact CB-CB 4.42Å; A109-I163 HydrophobicContact CB-CG1 4.35Å; A109-I163 HydrophobicContact CB-CG2 4.19Å; T110-I163 HydrophobicContact CG2-CD1 4.1Å; T110-I163 HydrophobicContact CG2-CG1 4.42Å; L113-I163 HydrophobicContact CD2-CD1 4.04Å; L113-I163 HydrophobicContact CD2-CG1 3.84Å; F121-I163 HydrophobicContact CE1-CD1 4.47Å; F121-I163 HydrophobicContact CE2-CD1 4.07Å; F121-I163 HydrophobicContact CZ-CD1 3.72Å; M159-I163 WeakPolarHBondContact O-CD1 3.36Å; M159-I163 VanDerWaalsContact O-CG1 3.25Å; M159-I163 WeakPolarHBondContact O-CG1 3.48Å; M159-I163 PolarHBondContact O-N 3.27Å; M159-I163 VanDerWaalsContact O-N 3.11Å; I160-I163 PolarHBondContact O-N 3.47Å; E161-I163 VanDerWaalsContact C-N 3.35Å; E161-I163 PolarHBondContact O-N 2.9Å; I163-Q165 PolarHBondContact O-N 2.65Å; I163-S166 PolarHBondContact O-N 2.75Å; I163-M167 HydrophobicContact CG2-CG 4.34Å; I163-M167 HydrophobicContact CG2-SD 3.74Å; I163-M167 WeakPolarHBondContact O-CB 3.13Å; I163-M167 VanDerWaalsContact O-CG 3.25Å; I163-M167 WeakPolarHBondContact O-CG 3.37Å; I163-M167 PolarHBondContact O-N 3.35Å
164M98.6Very high98.3Very high0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-67.9-35.9-178.4-70.1-170.173.100112.6M72 L98 I160 E161 M167 Q168 F169 L173 I174 V177M72-M164 HydrophobicContact CE-CE 4.19Å; M72-M164 HydrophobicContact CE-SD 4.38Å; M72-M164 HydrophobicContact CG-CE 4.36Å; L98-M164 HydrophobicContact CD1-CG 3.93Å; L98-M164 HydrophobicContact CD2-CG 3.87Å; I160-M164 HydrophobicContact CG2-CG 4.03Å; I160-M164 HydrophobicContact CG2-SD 3.71Å; I160-M164 WeakPolarHBondContact O-CB 3.44Å; I160-M164 VanDerWaalsContact O-CG 3.28Å; I160-M164 WeakPolarHBondContact O-CG 3.32Å; I160-M164 PolarHBondContact O-N 3.13Å; E161-M164 PolarHBondContact O-N 3.27Å; M164-M167 CarbonylContact O-C 3.59Å; M164-M167 PolarHBondContact O-N 2.76Å; M164-Q168 PolarHBondContact O-N 2.61Å; M164-Q168 VanDerWaalsContact O-N 3.14Å; M164-F169 HydrophobicContact CB-CB 4.16Å; M164-F169 HydrophobicContact CB-CD2 3.97Å; M164-F169 HydrophobicContact CB-CG 4.36Å; M164-F169 HydrophobicContact CE-CB 3.84Å; M164-F169 HydrophobicContact CE-CD1 3.79Å; M164-F169 HydrophobicContact CE-CD2 3.86Å; M164-F169 HydrophobicContact CE-CE1 4.23Å; M164-F169 HydrophobicContact CE-CE2 4.32Å; M164-F169 HydrophobicContact CE-CG 3.56Å; M164-F169 HydrophobicContact CE-CZ 4.47Å; M164-F169 HydrophobicContact CG-CD2 4.17Å; M164-F169 WeakPolarHBondContact O-CB 3.42Å; M164-F169 WeakPolarHBondContact O-CD2 3.39Å; M164-F169 PolarHBondContact O-N 3.23Å; M164-L173 HydrophobicContact CE-CD2 4.32Å; M164-L173 HydrophobicContact CE-CG 4.26Å; M164-I174 HydrophobicContact CB-CD1 3.77Å; M164-I174 HydrophobicContact CB-CG1 3.73Å; M164-I174 HydrophobicContact CB-CG2 4.45Å; M164-I174 HydrophobicContact CE-CG1 4.21Å; M164-I174 HydrophobicContact SD-CG1 4.4Å; M164-V177 HydrophobicContact CE-CG2 4.05Å; M164-V177 HydrophobicContact SD-CB 4.06Å; M164-V177 HydrophobicContact SD-CG1 3.88Å; M164-V177 HydrophobicContact SD-CG2 4.08Å
165Q98.3Very high98.3Very high107 Ų10751.9 Ų51.950%0.527%0.272SS..Hα-helixtrans-62.5-47.5172.8-75.8174.8-6.800110.8E161 H162 I163 M167 Q168 I174E161-Q165 HydrophobicContact CG-CG 4.33Å; E161-Q165 WeakPolarHBondContact O-CB 3.29Å; E161-Q165 VanDerWaalsContact O-CG 3.23Å; E161-Q165 WeakPolarHBondContact O-CG 3.49Å; E161-Q165 PolarHBondContact O-N 2.63Å; E161-Q165 PolarHBondContact OE1-NE2 3.3Å; H162-Q165 PolarHBondContact O-N 3.49Å; I163-Q165 PolarHBondContact O-N 2.65Å; Q165-M167 VanDerWaalsContact C-N 3.28Å; Q165-M167 PolarHBondContact O-N 2.71Å; Q165-Q168 WeakPolarHBondContact O-CA 3.49Å; Q165-Q168 PolarHBondContact O-N 3.3Å; Q165-I174 HydrophobicContact CB-CD1 4.37Å; Q165-I174 HydrophobicContact CG-CD1 3.62Å
166S97.7Very high98.3Very high54 Ų5451.9 Ų51.938%0.37827%0.274SS..Hα-helixtrans-61.8-36.9176.4-171.50000112.2H162 I163 Q168H162-S166 WeakPolarHBondContact O-CB 3.4Å; H162-S166 PolarHBondContact O-N 3.45Å; I163-S166 PolarHBondContact O-N 2.75Å; S166-Q168 PolarHBondContact O-N 3.3Å
167M97.7Very high98.3Very high4 Ų451.4 Ų51.42%0.0227%0.272CS..THydrogen-bonded Turntrans-79.99.3174.3-65.8-179.28000113.6L98 D102 A105 F106 I163 M164 Q165 F169L98-M167 HydrophobicContact CB-SD 4.12Å; L98-M167 HydrophobicContact CD2-SD 4.09Å; L98-M167 WeakPolarHBondContact O-CE 3.4Å; D102-M167 HydrophobicContact CB-CE 3.82Å; A105-M167 HydrophobicContact CB-CE 4.29Å; A105-M167 HydrophobicContact CB-CG 3.97Å; F106-M167 HydrophobicContact CB-CE 4.45Å; F106-M167 HydrophobicContact CB-SD 4.35Å; F106-M167 HydrophobicContact CD2-SD 4.32Å; I163-M167 HydrophobicContact CG2-CG 4.34Å; I163-M167 HydrophobicContact CG2-SD 3.74Å; I163-M167 WeakPolarHBondContact O-CB 3.13Å; I163-M167 VanDerWaalsContact O-CG 3.25Å; I163-M167 WeakPolarHBondContact O-CG 3.37Å; I163-M167 PolarHBondContact O-N 3.35Å; M164-M167 CarbonylContact O-C 3.59Å; M164-M167 PolarHBondContact O-N 2.76Å; Q165-M167 VanDerWaalsContact C-N 3.28Å; Q165-M167 PolarHBondContact O-N 2.71Å; M167-F169 HydrophobicContact CB-CD2 3.87Å; M167-F169 HydrophobicContact CB-CE2 3.88Å; M167-F169 PolarHBondContact O-N 3.08Å; M167-F169 HydrophobicContact SD-CE2 4.45Å
168Q97.6Very high98.3Very high144 Ų14451.2 Ų51.267%0.67327%0.271SS*.THydrogen-bonded Turntrans63.233.2172.8-53.7177.8-4.200114.9I65 M164 Q165 S166I65-Q168 HydrophobicContact CD1-CB 4.03Å; M164-Q168 PolarHBondContact O-N 2.61Å; M164-Q168 VanDerWaalsContact O-N 3.14Å; Q165-Q168 WeakPolarHBondContact O-CA 3.49Å; Q165-Q168 PolarHBondContact O-N 3.3Å; S166-Q168 PolarHBondContact O-N 3.3Å
169F98.4Very high98.3Very high13 Ų1351.4 Ų51.46%0.05728%0.283CS..  trans-73.6149.2170.5-75.5-87.3000111.8K68 V69 M72 L98 L101 M164 M167 L173 I174K68-F169 HydrophobicContact CB-CE1 3.75Å; K68-F169 HydrophobicContact CB-CZ 3.77Å; V69-F169 HydrophobicContact CG2-CD1 4.07Å; V69-F169 HydrophobicContact CG2-CE1 4.49Å; M72-F169 HydrophobicContact CB-CE1 4.33Å; M72-F169 HydrophobicContact CG-CD1 4.38Å; M72-F169 HydrophobicContact CG-CE1 3.47Å; M72-F169 VanDerWaalsContact CG-CE1 3.47Å; M72-F169 HydrophobicContact CG-CZ 3.68Å; L98-F169 HydrophobicContact CD2-CD2 4.41Å; L98-F169 HydrophobicContact CD2-CE2 3.57Å; L98-F169 HydrophobicContact CD2-CZ 3.91Å; L101-F169 HydrophobicContact CD1-CZ 3.96Å; M164-F169 HydrophobicContact CB-CB 4.16Å; M164-F169 HydrophobicContact CB-CD2 3.97Å; M164-F169 HydrophobicContact CB-CG 4.36Å; M164-F169 HydrophobicContact CE-CB 3.84Å; M164-F169 HydrophobicContact CE-CD1 3.79Å; M164-F169 HydrophobicContact CE-CD2 3.86Å; M164-F169 HydrophobicContact CE-CE1 4.23Å; M164-F169 HydrophobicContact CE-CE2 4.32Å; M164-F169 HydrophobicContact CE-CG 3.56Å; M164-F169 HydrophobicContact CE-CZ 4.47Å; M164-F169 HydrophobicContact CG-CD2 4.17Å; M164-F169 WeakPolarHBondContact O-CB 3.42Å; M164-F169 WeakPolarHBondContact O-CD2 3.39Å; M164-F169 PolarHBondContact O-N 3.23Å; M167-F169 HydrophobicContact CB-CD2 3.87Å; M167-F169 HydrophobicContact CB-CE2 3.88Å; M167-F169 PolarHBondContact O-N 3.08Å; M167-F169 HydrophobicContact SD-CE2 4.45Å; F169-L173 HydrophobicContact CD1-CD2 3.73Å; F169-L173 HydrophobicContact CE1-CD2 4.27Å; F169-I174 HydrophobicContact CB-CD1 4.14Å; F169-I174 HydrophobicContact CB-CG1 3.98Å
170P98.1Very high98.3Very high60 Ų6053.8 Ų53.839%0.3930%0.298SS..  trans-64.7137.6175.6-19.932.1000112.4V69 E172 L173 I174V69-P170 HydrophobicContact CG2-CG 3.94Å; P170-E172 VanDerWaalsContact C-N 3.27Å; P170-E172 PolarHBondContact O-N 3.05Å; P170-L173 WeakPolarHBondContact O-CB 3.08Å; P170-L173 PolarHBondContact O-N 2.92Å; P170-I174 WeakPolarHBondContact O-CG1 3.42Å; P170-I174 PolarHBondContact O-N 3.48Å
171A98.2Very high98.2Very high78 Ų7854.9 Ų54.965%0.64530%0.304SS*.Hα-helixtrans-52.2-41.3-177.800000113.7L173 I174 E175A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 3.14Å; A171-I174 WeakPolarHBondContact O-CB 3.38Å; A171-I174 PolarHBondContact O-N 3.46Å; A171-I174 VanDerWaalsContact O-N 3.11Å; A171-E175 PolarHBondContact O-N 3.12Å
172E98Very high98.2Very high115 Ų11553.4 Ų53.454%0.53730%0.299SS..Hα-helixtrans-59.4-37.7177.5-169-158.9157.100112.7P170 K176P170-E172 VanDerWaalsContact C-N 3.27Å; P170-E172 PolarHBondContact O-N 3.05Å; E172-K176 WeakPolarHBondContact O-CG 3.49Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 WeakPolarHBondContact OE1-CE 3.48Å; E172-K176 IonicContact OE1-NZ 3.56Å; E172-K176 PolarHBondContact OE1-NZ 3.22Å
173L98.4Very high98.2Very high6 Ų653 Ų533%0.03130%0.3CS..Hα-helixtrans-72.4-39176.4175.461.6000110.9V69 M72 R73 L76 M164 F169 P170 A171 E175 K176 V177V69-L173 HydrophobicContact CB-CD2 4.29Å; V69-L173 HydrophobicContact CG1-CD2 4.13Å; V69-L173 HydrophobicContact CG2-CD2 4.08Å; M72-L173 HydrophobicContact CB-CD2 4.03Å; R73-L173 HydrophobicContact CG-CD1 4.12Å; L76-L173 HydrophobicContact CD1-CD1 4.49Å; M164-L173 HydrophobicContact CE-CD2 4.32Å; M164-L173 HydrophobicContact CE-CG 4.26Å; F169-L173 HydrophobicContact CD1-CD2 3.73Å; F169-L173 HydrophobicContact CE1-CD2 4.27Å; P170-L173 WeakPolarHBondContact O-CB 3.08Å; P170-L173 PolarHBondContact O-N 2.92Å; A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 3.14Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 2.76Å; L173-K176 PolarHBondContact O-N 3.28Å; L173-V177 HydrophobicContact CD1-CG2 4.07Å; L173-V177 HydrophobicContact CG-CG2 4.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.78Å
174I98.7Very high98.2Very high4 Ų455.9 Ų55.92%0.02132%0.317CS..Hα-helixtrans-61.2-45.3179.2-60.2179.8000110.5E161 M164 Q165 F169 P170 A171 K176 V177 C178E161-I174 HydrophobicContact CB-CG2 4.02Å; E161-I174 HydrophobicContact CG-CG2 3.94Å; M164-I174 HydrophobicContact CB-CD1 3.77Å; M164-I174 HydrophobicContact CB-CG1 3.73Å; M164-I174 HydrophobicContact CB-CG2 4.45Å; M164-I174 HydrophobicContact CE-CG1 4.21Å; M164-I174 HydrophobicContact SD-CG1 4.4Å; Q165-I174 HydrophobicContact CB-CD1 4.37Å; Q165-I174 HydrophobicContact CG-CD1 3.62Å; F169-I174 HydrophobicContact CB-CD1 4.14Å; F169-I174 HydrophobicContact CB-CG1 3.98Å; P170-I174 WeakPolarHBondContact O-CG1 3.42Å; P170-I174 PolarHBondContact O-N 3.48Å; A171-I174 WeakPolarHBondContact O-CB 3.38Å; A171-I174 PolarHBondContact O-N 3.46Å; A171-I174 VanDerWaalsContact O-N 3.11Å; I174-K176 PolarHBondContact O-N 3.37Å; I174-V177 PolarHBondContact O-N 3.5Å; I174-C178 WeakPolarHBondContact O-CB 3.42Å; I174-C178 PolarHBondContact O-N 2.88Å; I174-C178 PolarHBondContact O-SG 3.05Å
175E98.4Very high98.2Very high151 Ų15159.2 Ų59.271%0.70634%0.336SS*.Hα-helixtrans-58.9-47.5176.3-172.5-179.1176.700111.4A171 L173 V177 C178 G179A171-E175 PolarHBondContact O-N 3.12Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 2.76Å; E175-V177 PolarHBondContact O-N 3.45Å; E175-C178 PolarHBondContact O-N 2.84Å; E175-G179 PolarHBondContact O-N 3.31Å
176K98.4Very high98.2Very high108 Ų10856.3 Ų56.347%0.4733%0.325SS..Hα-helixtrans-60.1-46.3176.2-72.5174.3-172.9173.40112.2E172 L173 I174 G179 T180E172-K176 WeakPolarHBondContact O-CG 3.49Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 WeakPolarHBondContact OE1-CE 3.48Å; E172-K176 IonicContact OE1-NZ 3.56Å; E172-K176 PolarHBondContact OE1-NZ 3.22Å; L173-K176 PolarHBondContact O-N 3.28Å; I174-K176 PolarHBondContact O-N 3.37Å; K176-G179 PolarHBondContact O-N 3.16Å; K176-T180 WeakPolarHBondContact O-CG2 3.37Å; K176-T180 PolarHBondContact O-N 3.36Å
177V98.7Very high98.2Very high0 Ų056.4 Ų56.40%032%0.322CS..Hα-helixtrans-59.1-51.1177.31690000110.1M72 L76 L94 I160 M164 L173 I174 E175 G179 T180M72-V177 HydrophobicContact CE-CG2 4.22Å; L76-V177 HydrophobicContact CD1-CG2 3.8Å; L76-V177 HydrophobicContact CD2-CG2 4.31Å; L76-V177 HydrophobicContact CG-CG2 4.34Å; L94-V177 HydrophobicContact CD1-CG1 3.72Å; L94-V177 HydrophobicContact CD2-CG1 3.6Å; L94-V177 HydrophobicContact CG-CG1 4.32Å; I160-V177 HydrophobicContact CG2-CG1 3.82Å; M164-V177 HydrophobicContact CE-CG2 4.05Å; M164-V177 HydrophobicContact SD-CB 4.06Å; M164-V177 HydrophobicContact SD-CG1 3.88Å; M164-V177 HydrophobicContact SD-CG2 4.08Å; L173-V177 HydrophobicContact CD1-CG2 4.07Å; L173-V177 HydrophobicContact CG-CG2 4.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.44Å; L173-V177 PolarHBondContact O-N 2.78Å; I174-V177 PolarHBondContact O-N 3.5Å; E175-V177 PolarHBondContact O-N 3.45Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.12Å; V177-T180 PolarHBondContact O-N 3.01Å; V177-T180 PolarHBondContact O-OG1 3.2Å
178C98.5Very high98.2Very high19 Ų1960.1 Ų60.113%0.12834%0.343CS..Hα-helixtrans-61.4-35.3-178.8-69.90000112.7C157 I174 E175 T180 I181C157-C178 HydrophobicContact CB-CB 4.05Å; C157-C178 PolarHBondContact SG-O 3.34Å; C157-C178 VanDerWaalsContact SG-O 3.42Å; I174-C178 WeakPolarHBondContact O-CB 3.42Å; I174-C178 PolarHBondContact O-N 2.88Å; I174-C178 PolarHBondContact O-SG 3.05Å; E175-C178 PolarHBondContact O-N 2.84Å; C178-T180 PolarHBondContact O-N 3.15Å; C178-I181 PolarHBondContact O-N 3.29Å
179G98.1Very high98.3Very high69 Ų6953.7 Ų53.771%0.71132%0.318SS*.Hα-helixtrans-67-14.7175.700000114.7E175 K176 V177E175-G179 PolarHBondContact O-N 3.31Å; K176-G179 PolarHBondContact O-N 3.16Å; V177-G179 VanDerWaalsContact C-N 3.28Å; V177-G179 PolarHBondContact O-N 3.12Å
180T98.2Very high98.3Very high53 Ų5357.1 Ų57.133%0.32534%0.34SS..Hα-helixtrans-96.7-10.5176.767.40000114L76 Y81 R90 K176 V177 C178L76-T180 HydrophobicContact CD2-CG2 4.33Å; Y81-T180 WeakPolarHBondContact CE1-OG1 3.46Å; Y81-T180 PolarHBondContact OH-OG1 2.88Å; R90-T180 WeakPolarHBondContact CD-O 3.26Å; R90-T180 PolarHBondContact NE-O 3.07Å; K176-T180 WeakPolarHBondContact O-CG2 3.37Å; K176-T180 PolarHBondContact O-N 3.36Å; V177-T180 PolarHBondContact O-N 3.01Å; V177-T180 PolarHBondContact O-OG1 3.2Å; C178-T180 PolarHBondContact O-N 3.15Å
181I97.6Very high98.3Very high22 Ų2256.8 Ų56.811%0.11334%0.335CS..  trans-72.50178.2-60.4178.8000110A87 R90 L94 T153 K156 I160 C178A87-I181 VanDerWaalsContact CA-O 3.27Å; A87-I181 WeakPolarHBondContact CA-O 3.31Å; A87-I181 HydrophobicContact CB-CG2 4.22Å; A87-I181 WeakPolarHBondContact CB-O 3.35Å; R90-I181 VanDerWaalsContact CZ-O 3.29Å; R90-I181 PolarHBondContact NE-O 3.16Å; R90-I181 VanDerWaalsContact NE-O 3.11Å; R90-I181 PolarHBondContact NH2-O 3Å; L94-I181 HydrophobicContact CD1-CD1 3.64Å; L94-I181 HydrophobicContact CD1-CG1 3.6Å; T153-I181 HydrophobicContact CG2-CG2 4.14Å; T153-I181 VanDerWaalsContact CG2-OXT 3.32Å; T153-I181 WeakPolarHBondContact CG2-OXT 3.28Å; K156-I181 HydrophobicContact CB-CG2 4.14Å; I160-I181 HydrophobicContact CB-CD1 4.05Å; I160-I181 HydrophobicContact CG1-CD1 3.66Å; I160-I181 HydrophobicContact CG2-CD1 4.39Å; C178-I181 PolarHBondContact O-N 3.29Å

Retrieved 181 of 181 residues in 90.4 ms (Link to these results)

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