A0A077Z501_TRITR Loading...

Prestin

AlphaFold DB , UniProt , Accession A0A077Z501, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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
1M90.8Very high91.3Very high44 Ų4424.3 Ų24.322%0.21715%0.151CC..  0-710-63.8-165.8-71.200112.6Y3 S4 I5 A11 L15 V350 L358M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.18Å; M1-S4 PolarHBondContact O-N 3.05Å; M1-I5 PolarHBondContact O-N 2.85Å; M1-A11 WeakPolarHBondContact CA-O 3.27Å; M1-A11 HydrophobicContact CB-CB 4.1Å; M1-A11 HydrophobicContact CG-CB 4.19Å; M1-L15 HydrophobicContact CG-CD1 4.37Å; M1-L15 HydrophobicContact CG-CD2 3.96Å; M1-L15 HydrophobicContact CG-CG 3.94Å; M1-V350 HydrophobicContact CE-CG1 4.22Å; M1-V350 HydrophobicContact SD-CB 4.49Å; M1-V350 HydrophobicContact SD-CG2 3.78Å; M1-L358 HydrophobicContact CB-CD2 4.27Å
2A90.8Very high91.4Very high15 Ų1522.9 Ų22.912%0.12414%0.142CC..Hα-helixtrans-54.4-45.1-175.100000113.2S4 I5 L6 L358 I362A2-S4 VanDerWaalsContact C-N 3.27Å; A2-S4 PolarHBondContact O-N 3.03Å; A2-I5 PolarHBondContact O-N 3.01Å; A2-L6 PolarHBondContact O-N 2.86Å; A2-L358 HydrophobicContact CB-CB 3.89Å; A2-L358 HydrophobicContact CB-CD2 3.95Å; A2-L358 HydrophobicContact CB-CG 4.49Å; A2-I362 HydrophobicContact CB-CD1 3.56Å; A2-I362 HydrophobicContact CB-CG1 3.74Å
3Y93.4Very high91.6Very high43 Ų4322.8 Ų22.817%0.16914%0.137CC..Hα-helixtrans-65.9-23.9178.9-61-44000114.7M1 L6 C7 A38 S43 I362M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.18Å; Y3-L6 HydrophobicContact CD1-CD2 4.44Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; Y3-C7 WeakPolarHBondContact O-CB 3.39Å; Y3-C7 PolarHBondContact O-N 3.04Å; Y3-A38 HydrophobicContact CD2-CB 3.77Å; Y3-A38 WeakPolarHBondContact CD2-O 3.49Å; Y3-A38 WeakPolarHBondContact CE2-O 3.41Å; Y3-A38 HydrophobicContact CG-CB 4.35Å; Y3-S43 VanDerWaalsContact O-CB 3.25Å; Y3-S43 WeakPolarHBondContact O-CB 3.44Å; Y3-S43 PolarHBondContact O-OG 3.02Å; Y3-I362 HydrophobicContact CD1-CD1 4.07Å; Y3-I362 HydrophobicContact CD1-CG1 4.19Å; Y3-I362 HydrophobicContact CE1-CD1 4.3Å; Y3-I362 HydrophobicContact CE1-CG1 3.92Å
4S93.5Very high91.7Very high0 Ų021.1 Ų21.10%013%0.127CC..Hα-helixtrans-80.5-37.7176.7-50.40000111.3M1 A2 L6 C7 G8 L9 G14 H309M1-S4 PolarHBondContact O-N 3.05Å; A2-S4 VanDerWaalsContact C-N 3.27Å; A2-S4 PolarHBondContact O-N 3.03Å; S4-L6 PolarHBondContact O-N 2.76Å; S4-C7 CarbonylContact O-C 3.54Å; S4-C7 WeakPolarHBondContact O-CA 3.48Å; S4-C7 VanDerWaalsContact O-CB 3.29Å; S4-C7 WeakPolarHBondContact O-CB 3.48Å; S4-C7 PolarHBondContact O-N 3.01Å; S4-G8 PolarHBondContact O-N 2.9Å; S4-G8 VanDerWaalsContact O-N 3.16Å; S4-L9 CarbonylContact C-O 3.58Å; S4-L9 WeakPolarHBondContact O-CA 3.46Å; S4-L9 WeakPolarHBondContact O-CB 2.9Å; S4-L9 PolarHBondContact O-N 3.16Å; S4-G14 WeakPolarHBondContact OG-CA 3.32Å; S4-G14 PolarHBondContact OG-N 3.49Å; S4-H309 PolarHBondContact OG-CD2 3Å; S4-H309 PolarHBondContact OG-NE2 3.27Å
5I91.1Very high91.9Very high46 Ų4620.5 Ų20.524%0.23612%0.123CC..Hα-helixtrans-59.8-41.3168.7-72.5161000110M1 A2 C7 G8 L9 A11 V236 L358M1-I5 PolarHBondContact O-N 2.85Å; A2-I5 PolarHBondContact O-N 3.01Å; I5-C7 VanDerWaalsContact C-N 3.29Å; I5-C7 PolarHBondContact O-N 3.2Å; I5-G8 PolarHBondContact O-N 2.92Å; I5-L9 WeakPolarHBondContact CA-O 3.36Å; I5-L9 PolarHBondContact N-O 3.04Å; I5-A11 HydrophobicContact CD1-CB 3.89Å; I5-A11 HydrophobicContact CG1-CB 4.26Å; I5-V236 HydrophobicContact CD1-CG2 4.49Å; I5-L358 HydrophobicContact CD1-CD1 3.49Å; I5-L358 VanDerWaalsContact CD1-CD1 3.49Å
6L89.8Confident92.1Very high9 Ų919.5 Ų19.55%0.04712%0.116CC..Hα-helixtrans-59-39.1171.9174.655.4000112.3A2 Y3 S4 G8 L44 S47 V137 S140 I362A2-L6 PolarHBondContact O-N 2.86Å; Y3-L6 HydrophobicContact CD1-CD2 4.44Å; Y3-L6 WeakPolarHBondContact O-CB 3.3Å; S4-L6 PolarHBondContact O-N 2.76Å; L6-G8 PolarHBondContact O-N 3.5Å; L6-L44 HydrophobicContact CD1-CB 4.37Å; L6-L44 HydrophobicContact CD1-CD1 3.8Å; L6-L44 HydrophobicContact CD2-CB 4.42Å; L6-L44 HydrophobicContact CG-CB 4.45Å; L6-S47 WeakPolarHBondContact O-CB 3.32Å; L6-S47 PolarHBondContact O-OG 2.8Å; L6-V137 HydrophobicContact CD2-CG1 3.89Å; L6-V137 HydrophobicContact CD2-CG2 4.43Å; L6-S140 WeakPolarHBondContact CD1-OG 3.3Å; L6-I362 HydrophobicContact CB-CD1 4.46Å; L6-I362 HydrophobicContact CD2-CD1 4.46Å
7C91Very high92.3Very high0 Ų018.4 Ų18.40%011%0.11CC..THydrogen-bonded Turntrans-70.3-4.3173.9-167.70000114Y3 S4 I5 L9 S43 S46Y3-C7 WeakPolarHBondContact O-CB 3.39Å; Y3-C7 PolarHBondContact O-N 3.04Å; S4-C7 CarbonylContact O-C 3.54Å; S4-C7 WeakPolarHBondContact O-CA 3.48Å; S4-C7 VanDerWaalsContact O-CB 3.29Å; S4-C7 WeakPolarHBondContact O-CB 3.48Å; S4-C7 PolarHBondContact O-N 3.01Å; I5-C7 VanDerWaalsContact C-N 3.29Å; I5-C7 PolarHBondContact O-N 3.2Å; C7-L9 HydrophobicContact CB-CD1 4.29Å; C7-L9 HydrophobicContact CB-CG 4.11Å; C7-S43 WeakPolarHBondContact CA-O 3.4Å; C7-S46 WeakPolarHBondContact SG-CB 3.33Å
8G88.7Confident92.4Very high40 Ų4019.1 Ų19.141%0.41212%0.116SC..THydrogen-bonded Turntrans8018.8-174.100000114.1S4 I5 L6S4-G8 PolarHBondContact O-N 2.9Å; S4-G8 VanDerWaalsContact O-N 3.16Å; I5-G8 PolarHBondContact O-N 2.92Å; L6-G8 PolarHBondContact O-N 3.5Å
9L92.5Very high92.6Very high7 Ų718.6 Ų18.64%0.03711%0.112CC..SBendtrans-110.8157.8-177.4-54.3-177.7000111.9S4 I5 C7 Y13 A91 V92 A95 H309S4-L9 CarbonylContact C-O 3.58Å; S4-L9 WeakPolarHBondContact O-CA 3.46Å; S4-L9 WeakPolarHBondContact O-CB 2.9Å; S4-L9 PolarHBondContact O-N 3.16Å; I5-L9 WeakPolarHBondContact CA-O 3.36Å; I5-L9 PolarHBondContact N-O 3.04Å; C7-L9 HydrophobicContact CB-CD1 4.29Å; C7-L9 HydrophobicContact CB-CG 4.11Å; L9-Y13 HydrophobicContact CB-CD2 4.41Å; L9-Y13 HydrophobicContact CB-CG 4.49Å; L9-Y13 HydrophobicContact CD1-CG 4.46Å; L9-A91 HydrophobicContact CD2-CB 4.25Å; L9-A91 WeakPolarHBondContact CD2-O 3.31Å; L9-V92 HydrophobicContact CD2-CB 4.39Å; L9-V92 HydrophobicContact CD2-CG2 3.94Å; L9-A95 HydrophobicContact CD1-CB 3.67Å; L9-A95 HydrophobicContact CD2-CB 3.94Å; L9-A95 HydrophobicContact CG-CB 4.25Å; L9-H309 HydrophobicContact CD1-CB 3.78Å
10P91.8Very high92.8Very high57 Ų5718.9 Ų18.937%0.3711%0.111SC..  trans-54.5148168.2-24.634.4000112.2I12 Y13P10-I12 HydrophobicContact CB-CG2 4.36Å; P10-I12 PolarHBondContact O-N 3.08Å; P10-I12 VanDerWaalsContact O-N 3.09Å; P10-Y13 HydrophobicContact CB-CD2 3.9Å; P10-Y13 HydrophobicContact CB-CE2 3.97Å; P10-Y13 HydrophobicContact CG-CD2 4.13Å; P10-Y13 HydrophobicContact CG-CE2 3.86Å; P10-Y13 WeakPolarHBondContact O-CD2 3.36Å; P10-Y13 PolarHBondContact O-N 2.73Å
11A91.2Very high93Very high6 Ų618 Ų185%0.0511%0.106CC..THydrogen-bonded Turntrans-58.1-31.8-171.300000114.1M1 I5 Y13 G14 V236M1-A11 WeakPolarHBondContact CA-O 3.27Å; M1-A11 HydrophobicContact CB-CB 4.1Å; M1-A11 HydrophobicContact CG-CB 4.19Å; I5-A11 HydrophobicContact CD1-CB 3.89Å; I5-A11 HydrophobicContact CG1-CB 4.26Å; A11-Y13 VanDerWaalsContact C-N 3.27Å; A11-Y13 PolarHBondContact O-N 3.09Å; A11-G14 PolarHBondContact O-N 2.98Å; A11-V236 HydrophobicContact CB-CG1 3.68Å
12I92.4Very high93.2Very high8 Ų816.2 Ų16.24%0.04110%0.098CC..THydrogen-bonded Turntrans-59.8-33.7-177.4-172.2154.3000113.9P10 G14 L15 Y16 V239 P240 L343P10-I12 HydrophobicContact CB-CG2 4.36Å; P10-I12 PolarHBondContact O-N 3.08Å; P10-I12 VanDerWaalsContact O-N 3.09Å; I12-G14 PolarHBondContact O-N 3.22Å; I12-L15 WeakPolarHBondContact O-CA 3.48Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 2.66Å; I12-Y16 HydrophobicContact CD1-CE2 4.25Å; I12-Y16 VanDerWaalsContact CD1-OH 3.27Å; I12-Y16 WeakPolarHBondContact CD1-OH 3.46Å; I12-Y16 HydrophobicContact CG1-CD2 4.43Å; I12-Y16 HydrophobicContact CG1-CE1 4.42Å; I12-Y16 HydrophobicContact CG1-CE2 3.68Å; I12-Y16 HydrophobicContact CG2-CE2 4.32Å; I12-Y16 PolarHBondContact O-N 2.99Å; I12-V239 HydrophobicContact CB-CG1 4.01Å; I12-V239 HydrophobicContact CD1-CG1 4.13Å; I12-V239 HydrophobicContact CG1-CG1 4.43Å; I12-P240 HydrophobicContact CD1-CG 4.13Å; I12-P240 WeakPolarHBondContact CD1-O 3.36Å; I12-L343 HydrophobicContact CD1-CD2 4.37Å; I12-L343 HydrophobicContact CG1-CD2 4.1Å
13Y94Very high93.4Very high21 Ų2118 Ų188%0.08211%0.105CC..Hα-helixtrans-59.6-21.6-178.3-71.2-92.9000112.3L9 P10 A11 Y16 T17 V92 L244 S307L9-Y13 HydrophobicContact CB-CD2 4.41Å; L9-Y13 HydrophobicContact CB-CG 4.49Å; L9-Y13 HydrophobicContact CD1-CG 4.46Å; P10-Y13 HydrophobicContact CB-CD2 3.9Å; P10-Y13 HydrophobicContact CB-CE2 3.97Å; P10-Y13 HydrophobicContact CG-CD2 4.13Å; P10-Y13 HydrophobicContact CG-CE2 3.86Å; P10-Y13 WeakPolarHBondContact O-CD2 3.36Å; P10-Y13 PolarHBondContact O-N 2.73Å; A11-Y13 VanDerWaalsContact C-N 3.27Å; A11-Y13 PolarHBondContact O-N 3.09Å; Y13-Y16 HydrophobicContact CD1-CD2 4.33Å; Y13-Y16 PolarHBondContact O-N 3.18Å; Y13-T17 WeakPolarHBondContact O-CB 3.37Å; Y13-T17 PolarHBondContact O-N 2.92Å; Y13-T17 PolarHBondContact O-OG1 2.73Å; Y13-V92 HydrophobicContact CD1-CG1 4.14Å; Y13-V92 HydrophobicContact CD1-CG2 4.47Å; Y13-V92 HydrophobicContact CD2-CG2 4.23Å; Y13-V92 HydrophobicContact CE1-CB 4.26Å; Y13-V92 HydrophobicContact CE1-CG1 3.31Å; Y13-V92 HydrophobicContact CE1-CG2 3.89Å; Y13-V92 HydrophobicContact CE2-CG2 3.6Å; Y13-V92 VanDerWaalsContact CZ-CG2 3.42Å; Y13-L244 HydrophobicContact CE1-CD1 4.21Å; Y13-S307 VanDerWaalsContact CD1-O 3.28Å; Y13-S307 WeakPolarHBondContact CD1-O 3.42Å
14G93.3Very high93.5Very high0 Ų017.8 Ų17.80%011%0.105CC..Hα-helixtrans-83.5-18.3178.900000113.3S4 A11 I12 S18S4-G14 WeakPolarHBondContact OG-CA 3.32Å; S4-G14 PolarHBondContact OG-N 3.49Å; A11-G14 PolarHBondContact O-N 2.98Å; I12-G14 PolarHBondContact O-N 3.22Å; G14-S18 WeakPolarHBondContact O-CB 3.49Å; G14-S18 PolarHBondContact O-N 3.43Å; G14-S18 PolarHBondContact O-OG 2.76Å
15L93.6Very high93.6Very high12 Ų1218 Ų186%0.06311%0.105CC..Hα-helixtrans-75.6-44.5168.2-61.5178.3000109.3M1 I12 T17 S18 F19 I339 V342 L343 A347M1-L15 HydrophobicContact CG-CD1 4.37Å; M1-L15 HydrophobicContact CG-CD2 3.96Å; M1-L15 HydrophobicContact CG-CG 3.94Å; I12-L15 WeakPolarHBondContact O-CA 3.48Å; I12-L15 WeakPolarHBondContact O-CB 3.3Å; I12-L15 PolarHBondContact O-N 2.66Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.78Å; L15-S18 CarbonylContact O-C 3.51Å; L15-S18 WeakPolarHBondContact O-CA 3.27Å; L15-S18 PolarHBondContact O-N 3.26Å; L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 PolarHBondContact O-N 3.22Å; L15-I339 HydrophobicContact CB-CG2 4.32Å; L15-I339 HydrophobicContact CD2-CG2 4.47Å; L15-I339 WeakPolarHBondContact O-CG2 3.44Å; L15-V342 HydrophobicContact CD1-CG1 4.33Å; L15-V342 HydrophobicContact CD2-CG1 4.35Å; L15-L343 HydrophobicContact CB-CD1 4.22Å; L15-L343 HydrophobicContact CB-CD2 3.38Å; L15-L343 HydrophobicContact CB-CG 3.72Å; L15-L343 HydrophobicContact CD1-CD2 3.8Å; L15-L343 HydrophobicContact CD1-CG 4.28Å; L15-L343 HydrophobicContact CG-CD2 4.23Å; L15-A347 HydrophobicContact CD1-CB 4.31Å
16Y95.6Very high93.8Very high4 Ų417.1 Ų17.12%0.01610%0.103CC..Hα-helixtrans-57.3-47.6172-57.4-44.3000112.1I12 Y13 S18 F19 Y20 G242 L243 L244 C308 L343I12-Y16 HydrophobicContact CD1-CE2 4.25Å; I12-Y16 VanDerWaalsContact CD1-OH 3.27Å; I12-Y16 WeakPolarHBondContact CD1-OH 3.46Å; I12-Y16 HydrophobicContact CG1-CD2 4.43Å; I12-Y16 HydrophobicContact CG1-CE1 4.42Å; I12-Y16 HydrophobicContact CG1-CE2 3.68Å; I12-Y16 HydrophobicContact CG2-CE2 4.32Å; I12-Y16 PolarHBondContact O-N 2.99Å; Y13-Y16 HydrophobicContact CD1-CD2 4.33Å; Y13-Y16 PolarHBondContact O-N 3.18Å; Y16-S18 PolarHBondContact O-N 3.02Å; Y16-S18 VanDerWaalsContact O-N 3.12Å; Y16-F19 PolarHBondContact O-N 3.31Å; Y16-Y20 HydrophobicContact CD1-CE2 4.34Å; Y16-Y20 PolarHBondContact O-N 3.25Å; Y16-G242 WeakPolarHBondContact CE1-O 3.49Å; Y16-G242 PolarHBondContact OH-O 3.14Å; Y16-G242 VanDerWaalsContact OH-O 3.08Å; Y16-L243 HydrophobicContact CE1-CD2 4.31Å; Y16-L244 HydrophobicContact CD2-CD1 4.22Å; Y16-L244 HydrophobicContact CE2-CD1 3.4Å; Y16-L244 VanDerWaalsContact CE2-CD1 3.4Å; Y16-L244 HydrophobicContact CE2-CG 3.86Å; Y16-L244 WeakPolarHBondContact OH-CG 3.5Å; Y16-C308 VanDerWaalsContact C-SG 3.51Å; Y16-C308 PolarHBondContact O-SG 2.83Å; Y16-C308 VanDerWaalsContact O-SG 3.42Å; Y16-L343 HydrophobicContact CD1-CD1 3.88Å; Y16-L343 HydrophobicContact CD1-CD2 3.93Å; Y16-L343 HydrophobicContact CE1-CD1 4.14Å; Y16-L343 HydrophobicContact CE1-CD2 3.61Å
17T95.9Very high93.9Very high0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-68.5-9.7178.2-48.20000113.1Y13 L15 P21 G37 A38 C308 H309 T311Y13-T17 WeakPolarHBondContact O-CB 3.37Å; Y13-T17 PolarHBondContact O-N 2.92Å; Y13-T17 PolarHBondContact O-OG1 2.73Å; L15-T17 VanDerWaalsContact C-N 3.35Å; L15-T17 PolarHBondContact O-N 2.78Å; T17-P21 HydrophobicContact CG2-CG 4.42Å; T17-P21 WeakPolarHBondContact O-CD 3.31Å; T17-P21 VanDerWaalsContact O-CG 3.3Å; T17-P21 WeakPolarHBondContact O-CG 3.4Å; T17-G37 CarbonylContact O-C 3.56Å; T17-G37 VanDerWaalsContact O-CA 3.24Å; T17-G37 WeakPolarHBondContact O-CA 3.48Å; T17-A38 HydrophobicContact CG2-CB 4.05Å; T17-A38 PolarHBondContact O-N 3.3Å; T17-C308 HydrophobicContact CG2-CB 4.34Å; T17-C308 WeakPolarHBondContact OG1-CA 3.42Å; T17-H309 VanDerWaalsContact CG2-O 3.26Å; T17-H309 WeakPolarHBondContact CG2-O 3.38Å; T17-H309 PolarHBondContact OG1-CD2 3.01Å; T17-H309 VanDerWaalsContact OG1-CD2 3.23Å; T17-H309 PolarHBondContact OG1-N 3.38Å; T17-H309 VanDerWaalsContact OG1-N 3.14Å; T17-H309 PolarHBondContact OG1-NE2 2.93Å; T17-T311 HydrophobicContact CG2-CG2 3.47Å; T17-T311 VanDerWaalsContact CG2-CG2 3.47Å
18S93.9Very high94Very high31 Ų3126.4 Ų26.422%0.21715%0.148CC..Hα-helixtrans-102.3-8171-56.90000112.9G14 L15 Y16G14-S18 WeakPolarHBondContact O-CB 3.49Å; G14-S18 PolarHBondContact O-N 3.43Å; G14-S18 PolarHBondContact O-OG 2.76Å; L15-S18 CarbonylContact O-C 3.51Å; L15-S18 WeakPolarHBondContact O-CA 3.27Å; L15-S18 PolarHBondContact O-N 3.26Å; Y16-S18 PolarHBondContact O-N 3.02Å; Y16-S18 VanDerWaalsContact O-N 3.12Å
19F95.7Very high94.2Very high10 Ų1024.9 Ų24.94%0.04413%0.133CC..Hα-helixtrans-101.7-60.5-178.5169.9-113.7000112.2L15 Y16 P22 L23 L243 A336 I339 M340 L343L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 PolarHBondContact O-N 3.22Å; Y16-F19 PolarHBondContact O-N 3.31Å; F19-P22 WeakPolarHBondContact O-CD 3.1Å; F19-L23 HydrophobicContact CD2-CD1 4.49Å; F19-L23 HydrophobicContact CE1-CD1 4.15Å; F19-L23 HydrophobicContact CE2-CD1 3.75Å; F19-L23 HydrophobicContact CZ-CD1 3.52Å; F19-L243 HydrophobicContact CE1-CD2 4.49Å; F19-A336 HydrophobicContact CD2-CB 3.91Å; F19-A336 VanDerWaalsContact CD2-O 3.28Å; F19-A336 WeakPolarHBondContact CD2-O 3.31Å; F19-A336 HydrophobicContact CE2-CB 4.3Å; F19-A336 WeakPolarHBondContact O-CB 3.3Å; F19-I339 HydrophobicContact CB-CG2 4.02Å; F19-M340 HydrophobicContact CD1-SD 4.42Å; F19-M340 HydrophobicContact CD2-CB 4.07Å; F19-M340 HydrophobicContact CD2-SD 4.41Å; F19-M340 HydrophobicContact CE1-CE 3.6Å; F19-M340 HydrophobicContact CE1-SD 3.97Å; F19-M340 HydrophobicContact CE2-CB 3.92Å; F19-M340 HydrophobicContact CE2-CE 3.57Å; F19-M340 HydrophobicContact CE2-CG 4.38Å; F19-M340 HydrophobicContact CE2-SD 3.95Å; F19-M340 HydrophobicContact CZ-CE 3.02Å; F19-M340 HydrophobicContact CZ-SD 3.75Å; F19-L343 HydrophobicContact CB-CD1 4.17Å; F19-L343 HydrophobicContact CG-CD1 4.45Å
20Y96.5Very high94.3Very high24 Ų2425.5 Ų25.59%0.09414%0.138CC..Hα-helixtrans-68.3-44.1-174.9-69.6-78.1000114.4Y16 L23 F24 F306Y16-Y20 HydrophobicContact CD1-CE2 4.34Å; Y16-Y20 PolarHBondContact O-N 3.25Å; Y20-L23 WeakPolarHBondContact O-CB 3.36Å; Y20-L23 PolarHBondContact O-N 2.83Å; Y20-F24 HydrophobicContact CD1-CE2 4.38Å; Y20-F24 VanDerWaalsContact O-CD2 3.32Å; Y20-F24 WeakPolarHBondContact O-CD2 3.31Å; Y20-F24 PolarHBondContact O-N 3.02Å; Y20-F306 HydrophobicContact CD1-CB 3.93Å; Y20-F306 HydrophobicContact CD1-CD1 4.39Å; Y20-F306 HydrophobicContact CD1-CD2 4.04Å; Y20-F306 AromaticContact CD1-CG 3.86Å; Y20-F306 HydrophobicContact CD1-CG 3.86Å; Y20-F306 HydrophobicContact CD2-CB 3.55Å; Y20-F306 HydrophobicContact CD2-CG 4.38Å; Y20-F306 HydrophobicContact CE1-CB 3.76Å; Y20-F306 AromaticContact CE1-CD1 3.66Å; Y20-F306 HydrophobicContact CE1-CD1 3.66Å; Y20-F306 HydrophobicContact CE1-CD2 4.12Å; Y20-F306 HydrophobicContact CE1-CE1 4.28Å; Y20-F306 AromaticContact CE1-CG 3.56Å; Y20-F306 HydrophobicContact CE1-CG 3.56Å; Y20-F306 HydrophobicContact CE2-CB 3.38Å; Y20-F306 HydrophobicContact CE2-CD1 4.49Å; Y20-F306 HydrophobicContact CE2-CG 4.13Å; Y20-F306 HydrophobicContact CG-CB 3.83Å; Y20-F306 HydrophobicContact CG-CD2 4.5Å; Y20-F306 HydrophobicContact CG-CG 4.26Å; Y20-F306 VanDerWaalsContact CZ-CB 3.47Å; Y20-F306 AromaticContact CZ-CD1 3.71Å; Y20-F306 AromaticContact CZ-CG 3.71Å
21P96.6Very high94.4Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-60.9-42.2-173.6-26.238.4000114.6T17 L23 F24 Y25 V36 V299 T311T17-P21 HydrophobicContact CG2-CG 4.42Å; T17-P21 WeakPolarHBondContact O-CD 3.31Å; T17-P21 VanDerWaalsContact O-CG 3.3Å; T17-P21 WeakPolarHBondContact O-CG 3.4Å; P21-L23 VanDerWaalsContact C-N 3.27Å; P21-L23 PolarHBondContact O-N 3.42Å; P21-F24 PolarHBondContact O-N 3.35Å; P21-Y25 WeakPolarHBondContact O-CB 3.35Å; P21-Y25 PolarHBondContact O-N 2.98Å; P21-V36 HydrophobicContact CB-CG1 4.18Å; P21-V299 HydrophobicContact CB-CG1 3.6Å; P21-T311 HydrophobicContact CB-CG2 3.7Å; P21-T311 HydrophobicContact CG-CG2 3.3Å
22P95.4Very high94.6Very high8 Ų827.4 Ų27.45%0.05214%0.139CC..Hα-helixtrans-54.5-38171.2-29.535.7000114.9F19 Y25 T26 V36 A332 A336F19-P22 WeakPolarHBondContact O-CD 3.1Å; P22-Y25 PolarHBondContact O-N 3.47Å; P22-T26 WeakPolarHBondContact O-CB 3.31Å; P22-T26 PolarHBondContact O-N 3.5Å; P22-T26 PolarHBondContact O-OG1 3.32Å; P22-V36 WeakPolarHBondContact CG-O 3.42Å; P22-A332 HydrophobicContact CB-CB 4.08Å; P22-A336 HydrophobicContact CB-CB 4.19Å; P22-A336 HydrophobicContact CG-CB 4.5Å
23L95.5Very high94.6Very high51 Ų5127 Ų2727%0.26714%0.137SC..Hα-helixtrans-66.5-47.9-178.9-59.5179.1000110.9F19 Y20 P21 T26 V333 A336F19-L23 HydrophobicContact CD2-CD1 4.49Å; F19-L23 HydrophobicContact CE1-CD1 4.15Å; F19-L23 HydrophobicContact CE2-CD1 3.75Å; F19-L23 HydrophobicContact CZ-CD1 3.52Å; Y20-L23 WeakPolarHBondContact O-CB 3.36Å; Y20-L23 PolarHBondContact O-N 2.83Å; P21-L23 VanDerWaalsContact C-N 3.27Å; P21-L23 PolarHBondContact O-N 3.42Å; L23-T26 PolarHBondContact O-N 3.49Å; L23-V333 HydrophobicContact CD2-CB 4.43Å; L23-V333 HydrophobicContact CD2-CG1 3.95Å; L23-V333 HydrophobicContact CD2-CG2 4.27Å; L23-A336 HydrophobicContact CD2-CB 4.06Å; L23-A336 HydrophobicContact CG-CB 4.36Å
24F95.4Very high94.6Very high40 Ų4026.2 Ų26.218%0.17513%0.134CC..Hα-helixtrans-66.5-40.1176.3-65.7-60.4000111.9Y20 P21 T26 L27 F28 V299 C302 F306Y20-F24 HydrophobicContact CD1-CE2 4.38Å; Y20-F24 VanDerWaalsContact O-CD2 3.32Å; Y20-F24 WeakPolarHBondContact O-CD2 3.31Å; Y20-F24 PolarHBondContact O-N 3.02Å; P21-F24 PolarHBondContact O-N 3.35Å; F24-T26 VanDerWaalsContact C-N 3.27Å; F24-T26 PolarHBondContact O-N 2.91Å; F24-L27 PolarHBondContact O-N 2.91Å; F24-L27 VanDerWaalsContact O-N 3.09Å; F24-F28 WeakPolarHBondContact O-CD2 3.25Å; F24-F28 PolarHBondContact O-N 2.96Å; F24-V299 HydrophobicContact CB-CB 4.38Å; F24-V299 HydrophobicContact CB-CG2 3.72Å; F24-C302 HydrophobicContact CD1-CB 3.91Å; F24-C302 HydrophobicContact CD2-CB 4.03Å; F24-C302 HydrophobicContact CE1-CB 3.7Å; F24-C302 HydrophobicContact CE2-CB 3.81Å; F24-C302 HydrophobicContact CG-CB 4.08Å; F24-C302 HydrophobicContact CZ-CB 3.65Å; F24-F306 HydrophobicContact CE2-CD2 4.26Å; F24-F306 HydrophobicContact CE2-CE2 4.35Å; F24-F306 HydrophobicContact CZ-CD2 4.24Å; F24-F306 AromaticContact CZ-CE2 3.87Å; F24-F306 HydrophobicContact CZ-CE2 3.87Å
25Y96.2Very high94.6Very high3 Ų326.7 Ų26.71%0.01214%0.138CC..Hα-helixtrans-64.7-34.8-178.9-171.6-95.3000111.8P21 P22 L27 F28 G29 S31 I34 V36 E292 A295 V299P21-Y25 WeakPolarHBondContact O-CB 3.35Å; P21-Y25 PolarHBondContact O-N 2.98Å; P22-Y25 PolarHBondContact O-N 3.47Å; Y25-L27 PolarHBondContact O-N 2.86Å; Y25-F28 PolarHBondContact O-N 2.59Å; Y25-G29 WeakPolarHBondContact O-CA 3.48Å; Y25-G29 PolarHBondContact O-N 3.14Å; Y25-S31 WeakPolarHBondContact OH-CB 3.18Å; Y25-S31 PolarHBondContact OH-N 2.85Å; Y25-I34 HydrophobicContact CD1-CG1 4.35Å; Y25-I34 HydrophobicContact CE1-CD1 3.86Å; Y25-I34 HydrophobicContact CE1-CG1 3.44Å; Y25-I34 VanDerWaalsContact CE1-CG1 3.44Å; Y25-I34 HydrophobicContact CE2-CD1 3.87Å; Y25-I34 HydrophobicContact CE2-CG1 4.35Å; Y25-I34 VanDerWaalsContact CZ-CG1 3.46Å; Y25-I34 WeakPolarHBondContact OH-CD1 3.34Å; Y25-I34 WeakPolarHBondContact OH-CG1 3.18Å; Y25-V36 HydrophobicContact CD1-CG2 4Å; Y25-V36 HydrophobicContact CD2-CB 4.45Å; Y25-V36 HydrophobicContact CD2-CG2 3.54Å; Y25-V36 HydrophobicContact CE1-CG2 4.38Å; Y25-V36 HydrophobicContact CE2-CG2 3.95Å; Y25-V36 HydrophobicContact CG-CB 4.24Å; Y25-V36 HydrophobicContact CG-CG2 3.58Å; Y25-E292 WeakPolarHBondContact CE2-OE2 3.28Å; Y25-E292 VanDerWaalsContact OH-CD 3.22Å; Y25-E292 PolarHBondContact OH-OE1 3.16Å; Y25-E292 VanDerWaalsContact OH-OE1 3.08Å; Y25-E292 PolarHBondContact OH-OE2 3.48Å; Y25-A295 HydrophobicContact CD2-CB 4.2Å; Y25-A295 HydrophobicContact CE2-CB 3.92Å; Y25-V299 HydrophobicContact CD2-CG2 4.18Å; Y25-V299 HydrophobicContact CG-CG2 4.47Å; Y25-V299 VanDerWaalsContact N-CG2 3.33Å
26T94Very high94.7Very high29 Ų2926.1 Ų26.118%0.17814%0.135CC..Hα-helixtrans-60.4-27.4176.1-59.50000112.7P22 L23 F24 Q329 V333P22-T26 WeakPolarHBondContact O-CB 3.31Å; P22-T26 PolarHBondContact O-N 3.5Å; P22-T26 PolarHBondContact O-OG1 3.32Å; L23-T26 PolarHBondContact O-N 3.49Å; F24-T26 VanDerWaalsContact C-N 3.27Å; F24-T26 PolarHBondContact O-N 2.91Å; T26-Q329 HydrophobicContact CG2-CB 3.76Å; T26-Q329 PolarHBondContact O-OE1 3.33Å; T26-Q329 PolarHBondContact OG1-O 2.81Å; T26-V333 HydrophobicContact CG2-CG2 3.87Å; T26-V333 WeakPolarHBondContact OG1-CG2 3.42Å
27L92.9Very high94.6Very high128 Ų12826 Ų2667%0.6713%0.134SC*.Hα-helixtrans-85.6-34.7-179.8-60.3175.5000112.9F24 Y25F24-L27 PolarHBondContact O-N 2.91Å; F24-L27 VanDerWaalsContact O-N 3.09Å; Y25-L27 PolarHBondContact O-N 2.86Å
28F92.9Very high94.5Very high75 Ų7526 Ų2633%0.32914%0.135SC..Hα-helixtrans-113.9-21.8-168.4-57.2-64.2000114.5F24 Y25 Q291 A295 L298F24-F28 WeakPolarHBondContact O-CD2 3.25Å; F24-F28 PolarHBondContact O-N 2.96Å; Y25-F28 PolarHBondContact O-N 2.59Å; F28-Q291 WeakPolarHBondContact O-CG 3.42Å; F28-Q291 PolarHBondContact O-NE2 2.99Å; F28-A295 HydrophobicContact CB-CB 4.1Å; F28-A295 WeakPolarHBondContact O-CB 3.42Å; F28-L298 HydrophobicContact CB-CD1 4.22Å; F28-L298 HydrophobicContact CD1-CD1 3.5Å; F28-L298 VanDerWaalsContact CD1-CD1 3.5Å; F28-L298 HydrophobicContact CD2-CB 3.84Å; F28-L298 HydrophobicContact CD2-CD1 3.87Å; F28-L298 HydrophobicContact CD2-CG 4.49Å; F28-L298 HydrophobicContact CE1-CD1 3.72Å; F28-L298 HydrophobicContact CE2-CB 4.1Å; F28-L298 HydrophobicContact CE2-CD1 4.07Å; F28-L298 HydrophobicContact CG-CB 4.29Å; F28-L298 HydrophobicContact CG-CD1 3.58Å; F28-L298 HydrophobicContact CZ-CD1 4Å
29G93.7Very high94.5Very high9 Ų925.3 Ų25.39%0.09313%0.128CC..  trans-71146-176.500000113.5Y25 Q329Y25-G29 WeakPolarHBondContact O-CA 3.48Å; Y25-G29 PolarHBondContact O-N 3.14Å; G29-Q329 PolarHBondContact O-NE2 3.01Å
30S93.8Very high94.3Very high20 Ų2025 Ų2514%0.1413%0.127CC..SBendtrans-93.4-23.117472.70000112.6L287 L288 E292S30-L287 VanDerWaalsContact OG-CD1 3.22Å; S30-L287 WeakPolarHBondContact OG-CD1 3.38Å; S30-L288 PolarHBondContact OG-N 3.04Å; S30-E292 WeakPolarHBondContact CA-OE1 3.46Å; S30-E292 WeakPolarHBondContact CB-OE1 3.33Å; S30-E292 PolarHBondContact N-OE1 3.15Å; S30-E292 PolarHBondContact OG-OE1 3.15Å
31S94.7Very high93.9Very high0 Ų023.9 Ų23.90%012%0.123CC..  trans-79.3131.8177176.60000112.3Y25 I34 Y285 E292 Q329Y25-S31 WeakPolarHBondContact OH-CB 3.18Å; Y25-S31 PolarHBondContact OH-N 2.85Å; S31-I34 VanDerWaalsContact OG-CG2 3.32Å; S31-I34 WeakPolarHBondContact OG-CG2 3.24Å; S31-I34 PolarHBondContact OG-N 2.98Å; S31-Y285 PolarHBondContact OG-OH 3.23Å; S31-E292 PolarHBondContact N-OE1 2.9Å; S31-Q329 WeakPolarHBondContact O-CG 3.33Å; S31-Q329 PolarHBondContact O-NE2 3.36Å
32K93.8Very high93.8Very high102 Ų10223.9 Ų23.944%0.44312%0.123SC..SBendtrans-79.1-18.2-179.5-65.9-178.9-178.9178.60114.1Y285 T328 Q329K32-Y285 HydrophobicContact CB-CE1 4.32Å; K32-Y285 HydrophobicContact CD-CD1 4.39Å; K32-Y285 HydrophobicContact CD-CG 4.38Å; K32-Y285 HydrophobicContact CG-CE2 4.46Å; K32-Y285 PolarHBondContact N-OH 3.22Å; K32-T328 CarbonylContact O-C 3.58Å; K32-Q329 PolarHBondContact O-N 3.06Å
33H93.4Very high93.7Very high1 Ų123.5 Ų23.51%0.00512%0.12CC..SBendtrans-118.8-26.8-164.8-66.683.1000114A35 F279 H283 Y285 T318 Q321 G326H33-A35 PolarHBondContact O-N 3.12Å; H33-F279 HydrophobicContact CB-CB 4.04Å; H33-F279 HydrophobicContact CB-CD1 4.32Å; H33-F279 HydrophobicContact CB-CG 4.28Å; H33-H283 AromaticContact CD2-CD2 3.83Å; H33-H283 AromaticContact CD2-NE2 3.68Å; H33-H283 AromaticContact CE1-CD2 3.4Å; H33-H283 PolarHBondContact CE1-CD2 3.28Å; H33-H283 AromaticContact CE1-CG 3.57Å; H33-H283 AromaticContact CE1-NE2 3.85Å; H33-H283 AromaticContact ND1-CD2 3.84Å; H33-H283 AromaticContact NE2-CD2 3.39Å; H33-H283 PolarHBondContact NE2-CD2 3.24Å; H33-H283 AromaticContact NE2-CE1 3.67Å; H33-H283 AromaticContact NE2-CG 3.74Å; H33-H283 AromaticContact NE2-ND1 3.95Å; H33-H283 AromaticContact NE2-NE2 3.33Å; H33-H283 PolarHBondContact NE2-NE2 2.62Å; H33-Y285 AromaticContact CE1-CE1 3.86Å; H33-Y285 AromaticContact ND1-CE1 3.45Å; H33-Y285 WeakPolarHBondContact ND1-CE1 3.47Å; H33-Y285 AromaticContact ND1-CZ 3.96Å; H33-T318 HydrophobicContact CB-CG2 4.42Å; H33-T318 WeakPolarHBondContact O-CG2 3.41Å; H33-Q321 PolarHBondContact O-NE2 2.93Å; H33-G326 PolarHBondContact CD2-O 3.12Å; H33-G326 PolarHBondContact NE2-O 3.14Å
34I93.9Very high93.5Very high4 Ų421.6 Ų21.62%0.02111%0.11CC..  trans-67.1135.8-170.868.8175.5000111.6Y25 S31 V36 C272 L275 A276 A313 T318Y25-I34 HydrophobicContact CD1-CG1 4.35Å; Y25-I34 HydrophobicContact CE1-CD1 3.86Å; Y25-I34 HydrophobicContact CE1-CG1 3.44Å; Y25-I34 VanDerWaalsContact CE1-CG1 3.44Å; Y25-I34 HydrophobicContact CE2-CD1 3.87Å; Y25-I34 HydrophobicContact CE2-CG1 4.35Å; Y25-I34 VanDerWaalsContact CZ-CG1 3.46Å; Y25-I34 WeakPolarHBondContact OH-CD1 3.34Å; Y25-I34 WeakPolarHBondContact OH-CG1 3.18Å; S31-I34 VanDerWaalsContact OG-CG2 3.32Å; S31-I34 WeakPolarHBondContact OG-CG2 3.24Å; S31-I34 PolarHBondContact OG-N 2.98Å; I34-V36 HydrophobicContact CD1-CG2 4.27Å; I34-V36 HydrophobicContact CG1-CG2 4.32Å; I34-C272 WeakPolarHBondContact CD1-SG 3.24Å; I34-L275 HydrophobicContact CG2-CB 4.24Å; I34-A276 HydrophobicContact CD1-CB 4.4Å; I34-A276 HydrophobicContact CG2-CB 4.14Å; I34-A313 HydrophobicContact CB-CB 4.33Å; I34-A313 HydrophobicContact CD1-CB 4.22Å; I34-T318 HydrophobicContact CB-CG2 4.5Å; I34-T318 HydrophobicContact CG2-CG2 4.24Å
35A93.4Very high93.2Very high9 Ų920.5 Ų20.57%0.07411%0.106CC..  trans-99.7104.1176.700000109.8H33 A313 S314 R317 T318H33-A35 PolarHBondContact O-N 3.12Å; A35-A313 WeakPolarHBondContact O-CA 3.49Å; A35-S314 PolarHBondContact O-N 3.43Å; A35-R317 HydrophobicContact CB-CB 3.63Å; A35-T318 PolarHBondContact N-OG1 3.14Å
36V95Very high93.1Very high1 Ų120.3 Ų20.31%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-83.9146.1177.2-177.20000110.9P21 P22 Y25 I34 L296 V299 R317P21-V36 HydrophobicContact CB-CG1 4.18Å; P22-V36 WeakPolarHBondContact CG-O 3.42Å; Y25-V36 HydrophobicContact CD1-CG2 4Å; Y25-V36 HydrophobicContact CD2-CB 4.45Å; Y25-V36 HydrophobicContact CD2-CG2 3.54Å; Y25-V36 HydrophobicContact CE1-CG2 4.38Å; Y25-V36 HydrophobicContact CE2-CG2 3.95Å; Y25-V36 HydrophobicContact CG-CB 4.24Å; Y25-V36 HydrophobicContact CG-CG2 3.58Å; I34-V36 HydrophobicContact CD1-CG2 4.27Å; I34-V36 HydrophobicContact CG1-CG2 4.32Å; V36-L296 HydrophobicContact CG1-CD2 4.49Å; V36-L296 HydrophobicContact CG2-CD2 4.49Å; V36-V299 HydrophobicContact CG1-CG1 4.1Å; V36-R317 PolarHBondContact O-NH1 3.49Å; V36-R317 VanDerWaalsContact O-NH1 3.16Å
37G94.4Very high92.8Very high0 Ų019.3 Ų19.30%010%0.099CC..EExtended strand (participates in β ladder)trans159.2-151171.100000111.3T17 F39 T311 C312 R317T17-G37 CarbonylContact O-C 3.56Å; T17-G37 VanDerWaalsContact O-CA 3.24Å; T17-G37 WeakPolarHBondContact O-CA 3.48Å; G37-F39 PolarHBondContact O-N 2.66Å; G37-T311 WeakPolarHBondContact O-CA 3.28Å; G37-C312 PolarHBondContact N-O 3.14Å; G37-C312 PolarHBondContact O-N 2.88Å; G37-R317 VanDerWaalsContact C-NH2 3.33Å
38A93.6Very high92.5Very high2 Ų214 Ų142%0.0178%0.075CC..  trans-62.6131.2178.700000112.4Y3 T17 R317Y3-A38 HydrophobicContact CD2-CB 3.77Å; Y3-A38 WeakPolarHBondContact CD2-O 3.49Å; Y3-A38 WeakPolarHBondContact CE2-O 3.41Å; Y3-A38 HydrophobicContact CG-CB 4.35Å; T17-A38 HydrophobicContact CG2-CB 4.05Å; T17-A38 PolarHBondContact O-N 3.3Å; A38-R317 PolarHBondContact O-NH2 3.17Å
39F93.2Very high92.3Very high15 Ų1510.6 Ų10.67%0.0666%0.061CC..  trans-143.7143.3-178.3-178.4-116.4000111.4G37 V41 V42 S43 I271 C312 M369G37-F39 PolarHBondContact O-N 2.66Å; F39-V41 HydrophobicContact CD1-CB 3.95Å; F39-V41 HydrophobicContact CD1-CG2 4.22Å; F39-V41 HydrophobicContact CE1-CB 3.62Å; F39-V41 HydrophobicContact CE1-CG2 3.43Å; F39-V41 VanDerWaalsContact CE1-CG2 3.43Å; F39-V41 HydrophobicContact CZ-CG2 3.95Å; F39-V41 PolarHBondContact O-N 3.36Å; F39-V42 HydrophobicContact CB-CG2 4.1Å; F39-V42 VanDerWaalsContact O-CG2 3.31Å; F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 3.29Å; F39-S43 WeakPolarHBondContact O-CB 3.48Å; F39-S43 PolarHBondContact O-N 3.36Å; F39-S43 PolarHBondContact O-OG 2.98Å; F39-S43 VanDerWaalsContact O-OG 3.1Å; F39-I271 HydrophobicContact CE1-CD1 3.93Å; F39-I271 HydrophobicContact CE1-CG2 4.39Å; F39-C312 HydrophobicContact CB-CB 4.01Å; F39-C312 HydrophobicContact CD1-CB 4.1Å; F39-C312 HydrophobicContact CG-CB 4.42Å; F39-M369 HydrophobicContact CZ-CE 4.18Å; F39-M369 HydrophobicContact CZ-SD 4.12Å
40S91Very high92.1Very high3 Ų310.4 Ų10.42%0.0216%0.058CC..Hα-helixtrans-57.4-44.4-168.650.10000113.9S43 L44S40-S43 PolarHBondContact O-N 3.23Å; S40-L44 WeakPolarHBondContact O-CB 3.5Å; S40-L44 PolarHBondContact O-N 3.33Å
41V89.8Confident91.6Very high1 Ų112.1 Ų12.11%0.0066%0.064CC..Hα-helixtrans-63.7-53.9-175.1178.10000111F39 S43 L44 M45 A133 V267 I271 M369 M402F39-V41 HydrophobicContact CD1-CB 3.95Å; F39-V41 HydrophobicContact CD1-CG2 4.22Å; F39-V41 HydrophobicContact CE1-CB 3.62Å; F39-V41 HydrophobicContact CE1-CG2 3.43Å; F39-V41 VanDerWaalsContact CE1-CG2 3.43Å; F39-V41 HydrophobicContact CZ-CG2 3.95Å; F39-V41 PolarHBondContact O-N 3.36Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.33Å; V41-L44 PolarHBondContact O-N 3.47Å; V41-M45 HydrophobicContact CG1-SD 4.36Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.23Å; V41-A133 HydrophobicContact CB-CB 4.39Å; V41-A133 HydrophobicContact CG1-CB 3.93Å; V41-A133 HydrophobicContact CG2-CB 3.73Å; V41-V267 HydrophobicContact CG1-CG1 3.96Å; V41-I271 HydrophobicContact CB-CD1 4.32Å; V41-I271 HydrophobicContact CG1-CD1 4.22Å; V41-I271 HydrophobicContact CG2-CD1 4.47Å; V41-M369 HydrophobicContact CG2-CE 3.56Å; V41-M402 HydrophobicContact CG1-CE 3.49Å; V41-M402 VanDerWaalsContact CG1-CE 3.49Å
42V93.4Very high91.1Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-67.2-34.4-179.7-64.70000112.2F39 M45 S46 V264 A268 P310 C312F39-V42 HydrophobicContact CB-CG2 4.1Å; F39-V42 VanDerWaalsContact O-CG2 3.31Å; F39-V42 WeakPolarHBondContact O-CG2 3.49Å; F39-V42 PolarHBondContact O-N 3.29Å; V42-M45 PolarHBondContact O-N 2.84Å; V42-S46 WeakPolarHBondContact O-CB 3.4Å; V42-S46 PolarHBondContact O-N 3.28Å; V42-S46 PolarHBondContact O-OG 2.95Å; V42-V264 HydrophobicContact CB-CG1 4.33Å; V42-V264 HydrophobicContact CG1-CG1 4.25Å; V42-A268 HydrophobicContact CG1-CB 3.89Å; V42-P310 HydrophobicContact CB-CB 4.37Å; V42-P310 WeakPolarHBondContact CG2-O 3.18Å; V42-C312 HydrophobicContact CB-CB 4.5Å; V42-C312 HydrophobicContact CG1-CB 3.78Å; V42-C312 HydrophobicContact CG2-CB 3.85Å
43S93.7Very high90.8Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-64.9-39.1174.4-700000112.5Y3 C7 F39 S40 V41 S46 S47 H309Y3-S43 VanDerWaalsContact O-CB 3.25Å; Y3-S43 WeakPolarHBondContact O-CB 3.44Å; Y3-S43 PolarHBondContact O-OG 3.02Å; C7-S43 WeakPolarHBondContact CA-O 3.4Å; F39-S43 WeakPolarHBondContact O-CB 3.48Å; F39-S43 PolarHBondContact O-N 3.36Å; F39-S43 PolarHBondContact O-OG 2.98Å; F39-S43 VanDerWaalsContact O-OG 3.1Å; S40-S43 PolarHBondContact O-N 3.23Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 3.33Å; S43-S46 PolarHBondContact O-N 3.34Å; S43-S47 PolarHBondContact O-N 3.42Å; S43-H309 PolarHBondContact OG-CE1 2.83Å
44L90.4Very high90.1Very high11 Ų1111.9 Ų11.96%0.0586%0.06CC..Hα-helixtrans-66.4-45.5175179.173.3000111.6L6 S40 V41 S46 S47 G48 L136 V137 V154L6-L44 HydrophobicContact CD1-CB 4.37Å; L6-L44 HydrophobicContact CD1-CD1 3.8Å; L6-L44 HydrophobicContact CD2-CB 4.42Å; L6-L44 HydrophobicContact CG-CB 4.45Å; S40-L44 WeakPolarHBondContact O-CB 3.5Å; S40-L44 PolarHBondContact O-N 3.33Å; V41-L44 PolarHBondContact O-N 3.47Å; L44-S46 PolarHBondContact O-N 3.02Å; L44-S47 WeakPolarHBondContact O-CA 3.46Å; L44-S47 WeakPolarHBondContact O-CB 3.4Å; L44-S47 PolarHBondContact O-N 2.91Å; L44-G48 PolarHBondContact O-N 2.78Å; L44-L136 HydrophobicContact CD2-CB 3.31Å; L44-L136 HydrophobicContact CD2-CD1 4.22Å; L44-L136 HydrophobicContact CD2-CG 4.42Å; L44-V137 HydrophobicContact CB-CG2 4.02Å; L44-V137 HydrophobicContact CD2-CG2 3.77Å; L44-V137 HydrophobicContact CG-CG2 4.42Å; L44-V154 HydrophobicContact CD1-CG2 3.75Å
45M91Very high89.1Confident17 Ų1715.8 Ų15.88%0.0848%0.084CC..Hα-helixtrans-58-42.4176.6-64.1174.377.400111.4V41 V42 S47 G48 T49 V264 V267 M402V41-M45 HydrophobicContact CG1-SD 4.36Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.23Å; V42-M45 PolarHBondContact O-N 2.84Å; M45-S47 VanDerWaalsContact C-N 3.28Å; M45-S47 PolarHBondContact O-N 2.96Å; M45-G48 PolarHBondContact O-N 2.89Å; M45-T49 PolarHBondContact O-N 3.19Å; M45-V264 HydrophobicContact CB-CG2 3.73Å; M45-V264 VanDerWaalsContact CE-CA 3.43Å; M45-V264 HydrophobicContact CE-CB 4.06Å; M45-V264 HydrophobicContact CE-CG2 3.6Å; M45-V264 HydrophobicContact SD-CB 4.47Å; M45-V264 HydrophobicContact SD-CG2 4.12Å; M45-V267 HydrophobicContact CE-CB 4.27Å; M45-V267 HydrophobicContact CE-CG2 4.01Å; M45-V267 HydrophobicContact SD-CB 4.08Å; M45-V267 HydrophobicContact SD-CG1 4.05Å; M45-V267 HydrophobicContact SD-CG2 4.3Å; M45-M402 HydrophobicContact CE-CB 4.27Å; M45-M402 HydrophobicContact CE-CG 3.35Å; M45-M402 HydrophobicContact CG-CB 3.95Å; M45-M402 HydrophobicContact CG-CE 4.46Å; M45-M402 HydrophobicContact CG-CG 3.61Å; M45-M402 HydrophobicContact SD-CE 4.48Å; M45-M402 HydrophobicContact SD-CG 3.55Å; M45-M402 VanDerWaalsContact SD-CG 3.55Å; M45-M402 HydrophobicContact SD-SD 4.36Å
46S92.2Very high87.9Confident0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-63.1-37.4176.5-53.50000111.7C7 V42 S43 L44 G48 T49 V50 P310C7-S46 WeakPolarHBondContact SG-CB 3.33Å; V42-S46 WeakPolarHBondContact O-CB 3.4Å; V42-S46 PolarHBondContact O-N 3.28Å; V42-S46 PolarHBondContact O-OG 2.95Å; S43-S46 PolarHBondContact O-N 3.34Å; L44-S46 PolarHBondContact O-N 3.02Å; S46-G48 VanDerWaalsContact C-N 3.31Å; S46-G48 PolarHBondContact O-N 2.73Å; S46-T49 PolarHBondContact O-N 2.87Å; S46-V50 WeakPolarHBondContact O-CB 3.38Å; S46-V50 WeakPolarHBondContact O-CG2 3.39Å; S46-V50 PolarHBondContact O-N 3.04Å; S46-P310 VanDerWaalsContact OG-CD 3.32Å; S46-P310 WeakPolarHBondContact OG-CD 3.37Å; S46-P310 WeakPolarHBondContact OG-CG 3.33Å
47S89.4Confident86.5Confident7 Ų724 Ų245%0.04912%0.121CC..Hα-helixtrans-58-42.6175.8-1550000112L6 S43 L44 M45 T49 V50 Q51L6-S47 WeakPolarHBondContact O-CB 3.32Å; L6-S47 PolarHBondContact O-OG 2.8Å; S43-S47 PolarHBondContact O-N 3.42Å; L44-S47 WeakPolarHBondContact O-CA 3.46Å; L44-S47 WeakPolarHBondContact O-CB 3.4Å; L44-S47 PolarHBondContact O-N 2.91Å; M45-S47 VanDerWaalsContact C-N 3.28Å; M45-S47 PolarHBondContact O-N 2.96Å; S47-T49 PolarHBondContact O-N 3.24Å; S47-V50 PolarHBondContact O-N 3.41Å; S47-Q51 WeakPolarHBondContact O-CB 3.28Å; S47-Q51 WeakPolarHBondContact O-CG 3.48Å; S47-Q51 PolarHBondContact O-N 2.94Å; S47-Q51 PolarHBondContact OG-NE2 2.83Å
48G85Confident85.1Confident16 Ų1625.5 Ų25.517%0.16513%0.131CC..Hα-helixtrans-58.5-48.2176.800000112.3L44 M45 S46 R52L44-G48 PolarHBondContact O-N 2.78Å; M45-G48 PolarHBondContact O-N 2.89Å; S46-G48 VanDerWaalsContact C-N 3.31Å; S46-G48 PolarHBondContact O-N 2.73Å; G48-R52 VanDerWaalsContact O-CB 3.3Å; G48-R52 WeakPolarHBondContact O-CB 3.48Å; G48-R52 PolarHBondContact O-N 3.32Å
49T89.7Confident83.2Confident5 Ų530.9 Ų30.93%0.03117%0.169CC..Hα-helixtrans-66.1-44.8176.8-56.40000112.5M45 S46 S47 Q51 R52 L53 I94 L98 M257 D260M45-T49 PolarHBondContact O-N 3.19Å; S46-T49 PolarHBondContact O-N 2.87Å; S47-T49 PolarHBondContact O-N 3.24Å; T49-Q51 VanDerWaalsContact C-N 3.35Å; T49-Q51 PolarHBondContact O-N 3.38Å; T49-R52 PolarHBondContact O-N 3.38Å; T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 PolarHBondContact O-N 3.4Å; T49-I94 HydrophobicContact CG2-CG2 4.28Å; T49-L98 HydrophobicContact CG2-CD2 4.36Å; T49-M257 HydrophobicContact CG2-CE 3.8Å; T49-M257 HydrophobicContact CG2-CG 4.26Å; T49-D260 HydrophobicContact CG2-CB 4.32Å; T49-D260 VanDerWaalsContact CG2-OD2 3.3Å; T49-D260 WeakPolarHBondContact CG2-OD2 3.35Å; T49-D260 WeakPolarHBondContact OG1-CB 3.27Å; T49-D260 PolarHBondContact OG1-OD2 3.49Å
50V90.1Very high81.2Confident4 Ų436 Ų362%0.02419%0.194CC..Hα-helixtrans-58.4-48.1178.7167.60000110.4S46 S47 A54 A91 I94 A95S46-V50 WeakPolarHBondContact O-CB 3.38Å; S46-V50 WeakPolarHBondContact O-CG2 3.39Å; S46-V50 PolarHBondContact O-N 3.04Å; S47-V50 PolarHBondContact O-N 3.41Å; V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 3.26Å; V50-A91 HydrophobicContact CG1-CB 3.68Å; V50-I94 HydrophobicContact CB-CG2 4.45Å; V50-I94 HydrophobicContact CG2-CB 4.28Å; V50-I94 HydrophobicContact CG2-CG2 3.94Å; V50-A95 HydrophobicContact CG2-CB 3.88Å
51Q82.9Confident79.1Confident57 Ų5740.3 Ų40.327%0.26622%0.222SC..Hα-helixtrans-67-46.3-179.7-69170.628.900111.8S47 T49 L53 A54 V55 T153S47-Q51 WeakPolarHBondContact O-CB 3.28Å; S47-Q51 WeakPolarHBondContact O-CG 3.48Å; S47-Q51 PolarHBondContact O-N 2.94Å; S47-Q51 PolarHBondContact OG-NE2 2.83Å; T49-Q51 VanDerWaalsContact C-N 3.35Å; T49-Q51 PolarHBondContact O-N 3.38Å; Q51-L53 PolarHBondContact O-N 3.29Å; Q51-A54 PolarHBondContact O-N 3.15Å; Q51-V55 VanDerWaalsContact O-CG2 3.26Å; Q51-V55 WeakPolarHBondContact O-CG2 3.45Å; Q51-V55 PolarHBondContact O-N 3.25Å; Q51-T153 PolarHBondContact OE1-OG1 3.25Å
52R84.6Confident76.7Confident95 Ų9549.1 Ų49.136%0.35826%0.263SS..Hα-helixtrans-54.5-51.8178.8-179.3176.464.681.3-7.9111.4G48 T49 E56 R256 D260G48-R52 VanDerWaalsContact O-CB 3.3Å; G48-R52 WeakPolarHBondContact O-CB 3.48Å; G48-R52 PolarHBondContact O-N 3.32Å; T49-R52 PolarHBondContact O-N 3.38Å; R52-E56 IonicContact NH1-OE1 2.7Å; R52-E56 WeakPolarHBondContact O-CG 3.33Å; R52-E56 PolarHBondContact O-N 3.3Å; R52-R256 PolarHBondContact NH2-O 3.4Å; R52-R256 VanDerWaalsContact NH2-O 3.09Å; R52-D260 IonicContact CZ-OD2 2.87Å; R52-D260 IonicContact NE-OD2 3.11Å; R52-D260 IonicContact NH2-OD2 2.81Å; R52-D260 PolarHBondContact NH2-OD2 2.96Å
53L85.7Confident74.3Confident0 Ų052.5 Ų52.50%029%0.291CS..Hα-helixtrans-77.2-26.8-177-67177.1000113.4T49 Q51 H57 I94 R256 M257T49-L53 HydrophobicContact CG2-CD1 3.89Å; T49-L53 PolarHBondContact O-N 3.4Å; Q51-L53 PolarHBondContact O-N 3.29Å; L53-H57 PolarHBondContact O-ND1 3.4Å; L53-I94 HydrophobicContact CB-CD1 3.74Å; L53-I94 HydrophobicContact CB-CG1 4.24Å; L53-I94 HydrophobicContact CB-CG2 4.36Å; L53-I94 HydrophobicContact CD1-CG2 3.96Å; L53-R256 HydrophobicContact CD2-CB 4.2Å; L53-M257 HydrophobicContact CD1-CE 4.33Å; L53-M257 HydrophobicContact CD1-CG 3.46Å; L53-M257 VanDerWaalsContact CD1-CG 3.46Å; L53-M257 HydrophobicContact CD1-SD 3.76Å
54A80.7Confident71.7Confident3 Ų363.6 Ų63.63%0.02533%0.333CS..Hα-helixtrans-71.4-38.2175.300000112.1V50 Q51 H57 C58 A86 I94V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 3.26Å; Q51-A54 PolarHBondContact O-N 3.15Å; A54-H57 PolarHBondContact O-N 3.43Å; A54-C58 PolarHBondContact O-SG 2.91Å; A54-A86 HydrophobicContact CB-CB 3.74Å; A54-I94 HydrophobicContact CB-CD1 4.18Å
55V72Confident69.5Low85 Ų8568 Ų6852%0.51536%0.36SS..Hα-helixtrans-65.5-38.6176.1173.80000111.2Q51 H57 C58Q51-V55 VanDerWaalsContact O-CG2 3.26Å; Q51-V55 WeakPolarHBondContact O-CG2 3.45Å; Q51-V55 PolarHBondContact O-N 3.25Å; V55-H57 PolarHBondContact O-N 3.42Å; V55-C58 WeakPolarHBondContact O-CB 3.5Å; V55-C58 PolarHBondContact O-N 2.89Å; V55-C58 VanDerWaalsContact O-N 3.12Å
56E68.2Low67.4Low96 Ų9675.1 Ų75.145%0.44940%0.399SS..Hα-helixtrans-60-28.1176.6-74.6174.7-154.100113.5R52 R256R52-E56 IonicContact NH1-OE1 2.7Å; R52-E56 WeakPolarHBondContact O-CG 3.33Å; R52-E56 PolarHBondContact O-N 3.3Å; E56-R256 IonicContact OE2-NH1 2.62Å; E56-R256 PolarHBondContact OE2-NH1 3.11Å
57H65.5Low65.3Low87 Ų8777.9 Ų77.940%0.40343%0.427SS..THydrogen-bonded Turntrans-93.66.5179.9-72.584.5000113.5L53 A54 V55 L90L53-H57 PolarHBondContact O-ND1 3.4Å; A54-H57 PolarHBondContact O-N 3.43Å; V55-H57 PolarHBondContact O-N 3.42Å; H57-L90 HydrophobicContact CB-CD2 3.5Å; H57-L90 VanDerWaalsContact CB-CD2 3.5Å
58C64.3Low63.3Low31 Ų3184.6 Ų84.621%0.20947%0.468CS..  trans-84.9133.5178.8-74.90000111.9A54 V55 M60 C84A54-C58 PolarHBondContact O-SG 2.91Å; V55-C58 WeakPolarHBondContact O-CB 3.5Å; V55-C58 PolarHBondContact O-N 2.89Å; V55-C58 VanDerWaalsContact O-N 3.12Å; C58-M60 PolarHBondContact O-N 2.68Å; C58-C84 HydrophobicContact CB-CB 3.58Å; C58-C84 WeakPolarHBondContact SG-CB 3.43Å; C58-C84 PolarHBondContact SG-SG 3.05Å
59S53.6Low61.7Low116 Ų11687.2 Ų87.281%0.81148%0.477SS*.  trans-75108.8163-48.20000108P61S59-P61 WeakPolarHBondContact O-CD 3.37Å
60M52.7Low60.2Low122 Ų12290.1 Ų90.160%0.60150%0.498SS*.  trans-62.6126.1176.3-68.7-71.3-80.800109.3C58C58-M60 PolarHBondContact O-N 2.68Å
61P46.8Very low58.8Low94 Ų9498.9 Ų98.961%0.6154%0.536SS*.  trans-62.4136.1161.7-12.526.8000108.3S59 A63S59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-A63 PolarHBondContact O-N 3.39Å
62E39.6Very low57.6Low186 Ų186100.1 Ų100.187%0.86955%0.547SS*.  trans-48.7115.7173.1-69.7173.1161.600110.1R64E62-R64 PolarHBondContact O-N 3.01Å
63A42.8Very low56.5Low70 Ų70100 Ų10058%0.57955%0.551SS**  trans-68.197.3-174.900000110.6P61 T65P61-A63 PolarHBondContact O-N 3.39Å; A63-T65 VanDerWaalsContact C-N 3.32Å; A63-T65 HydrophobicContact CB-CG2 4.22Å; A63-T65 PolarHBondContact O-N 3.03Å; A63-T65 VanDerWaalsContact O-N 3.12Å
64R39.3Very low55.4Low234 Ų234103.4 Ų103.488%0.88357%0.574SS**  trans-7885.2160.4-70.3-170.1-154-163.15.3108.9E62 N66E62-R64 PolarHBondContact O-N 3.01Å; R64-N66 PolarHBondContact O-N 3.41Å
65T44.4Very low54.8Low104 Ų104111.6 Ų111.664%0.63861%0.605SS**  trans-7993.3174.151.60000110.6A63A63-T65 VanDerWaalsContact C-N 3.32Å; A63-T65 HydrophobicContact CB-CG2 4.22Å; A63-T65 PolarHBondContact O-N 3.03Å; A63-T65 VanDerWaalsContact O-N 3.12Å
66N45.6Very low54.7Low166 Ų166109.7 Ų109.789%0.88859%0.59SS**  trans-107.713.6168.2-84.97.7000113.7R64R64-N66 PolarHBondContact O-N 3.41Å
67G48.3Very low54.8Low57 Ų57105.4 Ų105.459%0.58857%0.57SS**  trans-98.3117.7174.700000112.1I69G67-I69 VanDerWaalsContact C-N 3.31Å; G67-I69 PolarHBondContact O-N 3.19Å
68T47.9Very low54.6Low149 Ų149107.3 Ų107.391%0.91458%0.58SS**  trans-70.788.316246.70000108.7
69I51.8Low53.8Low70 Ų70108.2 Ų108.236%0.35959%0.586SS.*  trans-75.6133.4172-62.4170.4000107.7G67 E73 S79G67-I69 VanDerWaalsContact C-N 3.31Å; G67-I69 PolarHBondContact O-N 3.19Å; I69-E73 HydrophobicContact CG2-CB 3.65Å; I69-S79 WeakPolarHBondContact CD1-OG 3.05Å
70S58.1Low53.4Low66 Ų66106 Ų10646%0.46258%0.575SS.*  trans-59.3139.3172.3178.20000110.1T72 E73 S74S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact OG-OG1 3.11Å; S70-T72 VanDerWaalsContact OG-OG1 3.1Å; S70-E73 PolarHBondContact O-N 3.14Å; S70-S74 PolarHBondContact O-N 2.76Å; S70-S74 VanDerWaalsContact O-N 3.1Å
71K59.6Low52.8Low189 Ų189102.6 Ų102.682%0.82257%0.566SS**Hα-helixtrans-51.6-28.5179.3-71.7-176.6178.71790113.5S74K71-S74 PolarHBondContact O-OG 2.87Å
72T58.4Low52.8Low83 Ų83100.8 Ų100.851%0.50956%0.555SS.*Hα-helixtrans-75.7-43.2177.148.50000112.6S70 S74 W75 F76S70-T72 PolarHBondContact O-N 3.04Å; S70-T72 PolarHBondContact OG-OG1 3.11Å; S70-T72 VanDerWaalsContact OG-OG1 3.1Å; T72-S74 VanDerWaalsContact C-N 3.29Å; T72-S74 PolarHBondContact O-N 2.82Å; T72-W75 PolarHBondContact O-N 3.39Å; T72-F76 WeakPolarHBondContact O-CD2 3.49Å
73E61Low53.2Low93 Ų9398.4 Ų98.444%0.43554%0.544SS..Hα-helixtrans-62.9-38.2175.8-76.5-169.1156.100110.8I69 S70 W75 F76 C77 M169I69-E73 HydrophobicContact CG2-CB 3.65Å; S70-E73 PolarHBondContact O-N 3.14Å; E73-W75 VanDerWaalsContact C-N 3.25Å; E73-W75 PolarHBondContact O-N 2.83Å; E73-F76 PolarHBondContact O-N 3.32Å; E73-C77 CarbonylContact O-C 3.53Å; E73-C77 WeakPolarHBondContact O-CA 3.38Å; E73-C77 PolarHBondContact O-N 3.45Å; E73-M169 HydrophobicContact CG-SD 4.1Å
74S63.3Low53.9Low71 Ų7196.4 Ų96.450%0.49753%0.526SS..Hα-helixtrans-65.8-24.2-179.164.80000114.2S70 K71 T72S70-S74 PolarHBondContact O-N 2.76Å; S70-S74 VanDerWaalsContact O-N 3.1Å; K71-S74 PolarHBondContact O-OG 2.87Å; T72-S74 VanDerWaalsContact C-N 3.29Å; T72-S74 PolarHBondContact O-N 2.82Å
75W67Low54.6Low174 Ų17492.7 Ų92.766%0.65952%0.522SS*.Hα-helixtrans-76.5-39.2176.9-167.662.6000112T72 E73T72-W75 PolarHBondContact O-N 3.39Å; E73-W75 VanDerWaalsContact C-N 3.25Å; E73-W75 PolarHBondContact O-N 2.83Å
76F70.3Confident55.4Low45 Ų4589.5 Ų89.520%0.19751%0.506CS..Hα-helixtrans-91.4-52-177.1-68.9-68.5000113T72 E73 R162 C166 M169T72-F76 WeakPolarHBondContact O-CD2 3.49Å; E73-F76 PolarHBondContact O-N 3.32Å; F76-R162 WeakPolarHBondContact O-CG 3.32Å; F76-R162 PolarHBondContact O-NH1 3.23Å; F76-C166 HydrophobicContact CB-CB 4.16Å; F76-M169 HydrophobicContact CB-SD 4.36Å; F76-M169 HydrophobicContact CD2-CE 3.53Å; F76-M169 HydrophobicContact CD2-SD 4.16Å; F76-M169 HydrophobicContact CE2-CE 3.96Å; F76-M169 HydrophobicContact CG-CE 4.49Å
77C71.7Confident57Low7 Ų786.1 Ų86.15%0.04749%0.488CS..SBendtrans-101.4117.8-179.5-59.10000109.2E73 C166E73-C77 CarbonylContact O-C 3.53Å; E73-C77 WeakPolarHBondContact O-CA 3.38Å; E73-C77 PolarHBondContact O-N 3.45Å; C77-C166 VanDerWaalsContact CA-SG 3.55Å; C77-C166 HydrophobicContact CB-CB 4.16Å; C77-C166 WeakPolarHBondContact CB-SG 3.48Å; C77-C166 WeakPolarHBondContact SG-CA 3.4Å; C77-C166 WeakPolarHBondContact SG-CB 3.41Å; C77-C166 CovalentContact SG-SG 2.04Å; C77-C166 PolarHBondContact SG-SG 3.14Å
78E60.4Low58.6Low127 Ų12787.3 Ų87.359%0.59349%0.485SS*.PPolyproline II helixtrans-64.6144.9169.3-151.4159.1-160.400109.3A80E78-A80 PolarHBondContact O-N 3.38Å
79S48Very low60.4Low49 Ų4982.5 Ų82.534%0.34346%0.46SS..PPolyproline II helixtrans-54.2135.8176.7-179.50000109.2I69 A81 S82I69-S79 WeakPolarHBondContact CD1-OG 3.05Å; S79-A81 PolarHBondContact O-N 3.07Å; S79-S82 PolarHBondContact O-N 2.62Å
80A45.3Very low62.3Low70 Ų7080 Ų8058%0.57945%0.448SS*.G310 helixtrans-55.4-10.7177.100000113.6E78 S82 H83E78-A80 PolarHBondContact O-N 3.38Å; A80-S82 PolarHBondContact O-N 2.79Å; A80-S82 VanDerWaalsContact O-N 3.14Å; A80-H83 PolarHBondContact O-N 3.27Å
81A39.9Very low63.8Low51 Ų5177 Ų7742%0.42143%0.428SS..G310 helixtrans-60.2-14.2176.300000114.9S79S79-A81 PolarHBondContact O-N 3.07Å
82S45.8Very low65.4Low55 Ų5568.1 Ų68.139%0.38539%0.389SS..G310 helixtrans-103.624.5178.1-49.50000113.9S79 A80 C84S79-S82 PolarHBondContact O-N 2.62Å; A80-S82 PolarHBondContact O-N 2.79Å; A80-S82 VanDerWaalsContact O-N 3.14Å; S82-C84 PolarHBondContact O-N 3.16Å
83H48.7Very low67.1Low136 Ų13666.7 Ų66.763%0.6338%0.377SS*.  trans-72.365.1169.4-111.8-59.6000110.2A80 I85A80-H83 PolarHBondContact O-N 3.27Å; H83-I85 PolarHBondContact O-N 3.11Å
84C58.1Low68.7Low28 Ų2862.3 Ų62.319%0.18936%0.356CS..  trans-65.9123.3166.267.60000108C58 S82 A86C58-C84 HydrophobicContact CB-CB 3.58Å; C58-C84 WeakPolarHBondContact SG-CB 3.43Å; C58-C84 PolarHBondContact SG-SG 3.05Å; S82-C84 PolarHBondContact O-N 3.16Å; C84-A86 VanDerWaalsContact C-N 3.3Å; C84-A86 PolarHBondContact O-N 2.97Å
85I53.3Low70.2Confident157 Ų15758.9 Ų58.981%0.80533%0.332SS*.  trans-79.491.1174.4-57.9173.4000105.6H83 N87H83-I85 PolarHBondContact O-N 3.11Å; I85-N87 PolarHBondContact O-N 3.34Å
86A60.7Low71.6Confident37 Ų3750.9 Ų50.931%0.30630%0.302SS..  trans-48.3126.9171.200000109.5A54 C84 P88A54-A86 HydrophobicContact CB-CB 3.74Å; C84-A86 VanDerWaalsContact C-N 3.3Å; C84-A86 PolarHBondContact O-N 2.97Å; A86-P88 VanDerWaalsContact O-CD 3.32Å; A86-P88 WeakPolarHBondContact O-CD 3.2Å; A86-P88 VanDerWaalsContact O-N 3.08Å
87N78.5Confident72.9Confident94 Ų9448.8 Ų48.850%0.50329%0.293SS..  trans-57.6116.6175.8179.2-8.8000108.6I85 A89 L90 A91I85-N87 PolarHBondContact O-N 3.34Å; N87-A89 PolarHBondContact O-N 3.47Å; N87-A89 VanDerWaalsContact O-N 3.15Å; N87-A89 WeakPolarHBondContact OD1-CB 3.44Å; N87-A89 PolarHBondContact OD1-N 3.13Å; N87-L90 HydrophobicContact CB-CB 4.05Å; N87-L90 WeakPolarHBondContact O-CB 3.42Å; N87-L90 PolarHBondContact O-N 2.85Å; N87-A91 PolarHBondContact O-N 3.36Å; N87-A91 VanDerWaalsContact O-N 3.11Å
88P82.3Confident74.1Confident82 Ų8248.5 Ų48.553%0.53229%0.291SS..Hα-helixtrans-62.4-26-175.924.9-34.4000112.5A86 V92A86-P88 VanDerWaalsContact O-CD 3.32Å; A86-P88 WeakPolarHBondContact O-CD 3.2Å; A86-P88 VanDerWaalsContact O-N 3.08Å; P88-V92 WeakPolarHBondContact O-CG2 3.29Å; P88-V92 PolarHBondContact O-N 3.05Å
89A87.3Confident75.9Confident48 Ų4842.4 Ų42.440%0.39726%0.263SS..Hα-helixtrans-68.1-41.817400000111.7N87 V92 E93N87-A89 PolarHBondContact O-N 3.47Å; N87-A89 VanDerWaalsContact O-N 3.15Å; N87-A89 WeakPolarHBondContact OD1-CB 3.44Å; N87-A89 PolarHBondContact OD1-N 3.13Å; A89-V92 WeakPolarHBondContact O-CB 3.46Å; A89-V92 PolarHBondContact O-N 3.43Å; A89-E93 WeakPolarHBondContact O-CG 3.25Å; A89-E93 PolarHBondContact O-N 2.86Å
90L89.9Confident78.2Confident17 Ų1741.2 Ų41.29%0.08925%0.251CS..Hα-helixtrans-65.3-40.8177.1-178.965.3000111.3H57 N87 V92 E93 I94H57-L90 HydrophobicContact CB-CD2 3.5Å; H57-L90 VanDerWaalsContact CB-CD2 3.5Å; N87-L90 HydrophobicContact CB-CB 4.05Å; N87-L90 WeakPolarHBondContact O-CB 3.42Å; N87-L90 PolarHBondContact O-N 2.85Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 3.49Å; L90-E93 PolarHBondContact O-N 3.45Å; L90-E93 VanDerWaalsContact O-N 3.13Å; L90-I94 HydrophobicContact CD1-CD1 4.4Å; L90-I94 HydrophobicContact CD1-CG1 4.4Å; L90-I94 HydrophobicContact CD2-CD1 4.44Å; L90-I94 HydrophobicContact CG-CD1 3.88Å; L90-I94 HydrophobicContact CG-CG1 4.37Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.21Å
91A90.9Very high80.7Confident5 Ų538.5 Ų38.54%0.04123%0.227CC..Hα-helixtrans-57.5-42.1176.200000111.9L9 V50 N87 A95L9-A91 HydrophobicContact CD2-CB 4.25Å; L9-A91 WeakPolarHBondContact CD2-O 3.31Å; V50-A91 HydrophobicContact CG1-CB 3.68Å; N87-A91 PolarHBondContact O-N 3.36Å; N87-A91 VanDerWaalsContact O-N 3.11Å; A91-A95 PolarHBondContact O-N 3.22Å; A91-A95 VanDerWaalsContact O-N 3.09Å
92V92.6Very high83.4Confident2 Ų236 Ų361%0.01221%0.207CC..Hα-helixtrans-60.2-53.3172.7170.10000110.4L9 Y13 P88 A89 L90 I94 A95 L96L9-V92 HydrophobicContact CD2-CB 4.39Å; L9-V92 HydrophobicContact CD2-CG2 3.94Å; Y13-V92 HydrophobicContact CD1-CG1 4.14Å; Y13-V92 HydrophobicContact CD1-CG2 4.47Å; Y13-V92 HydrophobicContact CD2-CG2 4.23Å; Y13-V92 HydrophobicContact CE1-CB 4.26Å; Y13-V92 HydrophobicContact CE1-CG1 3.31Å; Y13-V92 HydrophobicContact CE1-CG2 3.89Å; Y13-V92 HydrophobicContact CE2-CG2 3.6Å; Y13-V92 VanDerWaalsContact CZ-CG2 3.42Å; P88-V92 WeakPolarHBondContact O-CG2 3.29Å; P88-V92 PolarHBondContact O-N 3.05Å; A89-V92 WeakPolarHBondContact O-CB 3.46Å; A89-V92 PolarHBondContact O-N 3.43Å; L90-V92 VanDerWaalsContact C-N 3.27Å; L90-V92 PolarHBondContact O-N 3.49Å; V92-I94 VanDerWaalsContact C-N 3.29Å; V92-I94 PolarHBondContact O-N 3.48Å; V92-A95 PolarHBondContact O-N 3.31Å; V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.07Å; V92-L96 VanDerWaalsContact O-CG 3.3Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.36Å
93E93.6Very high85.9Confident53 Ų5333.4 Ų33.425%0.24819%0.188CC..Hα-helixtrans-58.8-39.1-177.6-68168.5140.300112.9A89 L90 L96 T97 R250A89-E93 WeakPolarHBondContact O-CG 3.25Å; A89-E93 PolarHBondContact O-N 2.86Å; L90-E93 PolarHBondContact O-N 3.45Å; L90-E93 VanDerWaalsContact O-N 3.13Å; E93-L96 PolarHBondContact O-N 3.41Å; E93-T97 VanDerWaalsContact O-CB 3.3Å; E93-T97 WeakPolarHBondContact O-CB 3.34Å; E93-T97 PolarHBondContact O-N 3.24Å; E93-T97 PolarHBondContact O-OG1 2.97Å; E93-R250 HydrophobicContact CB-CG 4.2Å; E93-R250 IonicContact OE1-CZ 3.78Å; E93-R250 IonicContact OE1-NE 2.76Å; E93-R250 PolarHBondContact OE1-NE 3.41Å; E93-R250 VanDerWaalsContact OE1-NE 3.11Å; E93-R250 IonicContact OE1-NH2 3.9Å; E93-R250 PolarHBondContact OE1-NH2 3.45Å; E93-R250 IonicContact OE2-CZ 2.79Å; E93-R250 IonicContact OE2-NE 3.19Å; E93-R250 PolarHBondContact OE2-NE 3.07Å; E93-R250 IonicContact OE2-NH2 3.98Å; E93-R250 PolarHBondContact OE2-NH2 3.2Å
94I94.7Very high88.3Confident0 Ų029.6 Ų29.60%017%0.172CC..Hα-helixtrans-60.6-51.3172.9-65.2158.5000109.7T49 V50 L53 A54 L90 V92 L96 T97 L98 L253 M257T49-I94 HydrophobicContact CG2-CG2 4.28Å; V50-I94 HydrophobicContact CB-CG2 4.45Å; V50-I94 HydrophobicContact CG2-CB 4.28Å; V50-I94 HydrophobicContact CG2-CG2 3.94Å; L53-I94 HydrophobicContact CB-CD1 3.74Å; L53-I94 HydrophobicContact CB-CG1 4.24Å; L53-I94 HydrophobicContact CB-CG2 4.36Å; L53-I94 HydrophobicContact CD1-CG2 3.96Å; A54-I94 HydrophobicContact CB-CD1 4.18Å; L90-I94 HydrophobicContact CD1-CD1 4.4Å; L90-I94 HydrophobicContact CD1-CG1 4.4Å; L90-I94 HydrophobicContact CD2-CD1 4.44Å; L90-I94 HydrophobicContact CG-CD1 3.88Å; L90-I94 HydrophobicContact CG-CG1 4.37Å; L90-I94 VanDerWaalsContact O-CG1 3.31Å; L90-I94 WeakPolarHBondContact O-CG1 3.48Å; L90-I94 PolarHBondContact O-N 3.21Å; V92-I94 VanDerWaalsContact C-N 3.29Å; V92-I94 PolarHBondContact O-N 3.48Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.42Å; I94-T97 PolarHBondContact O-N 3.27Å; I94-L98 PolarHBondContact O-N 2.92Å; I94-L253 HydrophobicContact CG1-CD1 3.77Å; I94-M257 HydrophobicContact CG2-CE 3.78Å; I94-M257 HydrophobicContact CG2-SD 4.36Å; I94-M257 VanDerWaalsContact O-CE 3.31Å; I94-M257 WeakPolarHBondContact O-CE 3.34Å
95A95.5Very high90.1Very high0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-61.4-39.2-17900000113L9 V50 A91 V92 L98 T99 H309L9-A95 HydrophobicContact CD1-CB 3.67Å; L9-A95 HydrophobicContact CD2-CB 3.94Å; L9-A95 HydrophobicContact CG-CB 4.25Å; V50-A95 HydrophobicContact CG2-CB 3.88Å; A91-A95 PolarHBondContact O-N 3.22Å; A91-A95 VanDerWaalsContact O-N 3.09Å; V92-A95 PolarHBondContact O-N 3.31Å; A95-L98 PolarHBondContact O-N 3.35Å; A95-T99 PolarHBondContact O-N 3.02Å; A95-T99 PolarHBondContact O-OG1 3.27Å; A95-H309 HydrophobicContact CB-CB 4.32Å
96L95.7Very high92.2Very high6 Ų623 Ų233%0.03114%0.135CC..Hα-helixtrans-66.9-42.2176.9-58.5-171.5000111.4V92 E93 I94 L98 T99 F100 R247 S307 C308V92-L96 HydrophobicContact CG1-CD1 3.94Å; V92-L96 HydrophobicContact CG1-CG 4.07Å; V92-L96 VanDerWaalsContact O-CG 3.3Å; V92-L96 WeakPolarHBondContact O-CG 3.44Å; V92-L96 PolarHBondContact O-N 3.36Å; E93-L96 PolarHBondContact O-N 3.41Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.42Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.37Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.38Å; L96-F100 WeakPolarHBondContact O-CB 3.38Å; L96-F100 PolarHBondContact O-N 3.02Å; L96-R247 HydrophobicContact CD1-CB 4.33Å; L96-S307 VanDerWaalsContact CD2-CA 3.44Å; L96-C308 WeakPolarHBondContact CD2-O 3.33Å
97T97.1Very high93.9Very high1 Ų122.8 Ų22.81%0.00613%0.128CC..Hα-helixtrans-64-39.9177-550000111.2E93 I94 F100 L101 P249 R250 L253 I254 M257E93-T97 VanDerWaalsContact O-CB 3.3Å; E93-T97 WeakPolarHBondContact O-CB 3.34Å; E93-T97 PolarHBondContact O-N 3.24Å; E93-T97 PolarHBondContact O-OG1 2.97Å; I94-T97 PolarHBondContact O-N 3.27Å; T97-F100 PolarHBondContact O-N 3.11Å; T97-L101 WeakPolarHBondContact O-CB 3.15Å; T97-L101 PolarHBondContact O-N 2.91Å; T97-P249 HydrophobicContact CG2-CB 4.29Å; T97-R250 WeakPolarHBondContact CG2-O 3.37Å; T97-R250 PolarHBondContact OG1-N 3.49Å; T97-L253 HydrophobicContact CG2-CB 4.48Å; T97-I254 HydrophobicContact CG2-CG1 3.82Å; T97-M257 HydrophobicContact CG2-SD 3.97Å
98L97Very high94.8Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-60.6-46.3173.6-174.457.3000111.1T49 I94 A95 L96 L101 M102 M257 D260 A261 P310T49-L98 HydrophobicContact CG2-CD2 4.36Å; I94-L98 PolarHBondContact O-N 2.92Å; A95-L98 PolarHBondContact O-N 3.35Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.37Å; L98-L101 PolarHBondContact O-N 3.28Å; L98-M102 WeakPolarHBondContact O-CB 3.37Å; L98-M102 PolarHBondContact O-N 3.09Å; L98-M257 VanDerWaalsContact CA-CE 3.46Å; L98-M257 HydrophobicContact CB-CE 3.34Å; L98-M257 HydrophobicContact CD1-CE 3.94Å; L98-M257 HydrophobicContact CG-CE 4.15Å; L98-D260 HydrophobicContact CD1-CB 4.09Å; L98-A261 HydrophobicContact CD1-CB 4.07Å; L98-P310 HydrophobicContact CD2-CG 4.19Å; L98-P310 HydrophobicContact CG-CG 4.19Å
99T98.1Very high95.4Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-62.2-45.1-179.6-50.30000111.2A95 L96 G103 N300 C308 H309 P310A95-T99 PolarHBondContact O-N 3.02Å; A95-T99 PolarHBondContact O-OG1 3.27Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.38Å; T99-G103 PolarHBondContact O-N 2.89Å; T99-N300 HydrophobicContact CG2-CB 3.98Å; T99-N300 WeakPolarHBondContact CG2-O 3.45Å; T99-C308 PolarHBondContact OG1-O 3.28Å; T99-H309 VanDerWaalsContact OG1-CA 3.25Å; T99-H309 WeakPolarHBondContact OG1-CA 3.26Å; T99-P310 WeakPolarHBondContact OG1-CD 3.16Å; T99-P310 VanDerWaalsContact OG1-CG 3.29Å; T99-P310 WeakPolarHBondContact OG1-CG 3.38Å
100F98.1Very high95.7Very high24 Ų2417.1 Ų17.111%0.1059%0.086CC..Hα-helixtrans-58.6-52.4175.9176.6-100.3000111.1L96 T97 G103 I104 P249 W251 T301 S304 F305L96-F100 WeakPolarHBondContact O-CB 3.38Å; L96-F100 PolarHBondContact O-N 3.02Å; T97-F100 PolarHBondContact O-N 3.11Å; F100-G103 PolarHBondContact O-N 3.04Å; F100-G103 VanDerWaalsContact O-N 3.16Å; F100-I104 HydrophobicContact CD1-CG1 4.4Å; F100-I104 HydrophobicContact CE1-CG1 3.98Å; F100-I104 HydrophobicContact CE2-CD1 4.41Å; F100-I104 HydrophobicContact CE2-CG1 4.38Å; F100-I104 HydrophobicContact CZ-CD1 4.15Å; F100-I104 HydrophobicContact CZ-CG1 3.96Å; F100-I104 WeakPolarHBondContact O-CG1 3.4Å; F100-I104 PolarHBondContact O-N 3.04Å; F100-P249 HydrophobicContact CB-CB 4.12Å; F100-P249 HydrophobicContact CD1-CB 3.9Å; F100-P249 HydrophobicContact CD1-CG 3.75Å; F100-P249 HydrophobicContact CD2-CG 4.22Å; F100-P249 HydrophobicContact CE1-CG 3.94Å; F100-P249 HydrophobicContact CE2-CG 4.4Å; F100-P249 HydrophobicContact CG-CB 3.99Å; F100-P249 HydrophobicContact CG-CG 3.9Å; F100-P249 HydrophobicContact CZ-CG 4.27Å; F100-W251 HydrophobicContact CE1-CH2 4.11Å; F100-W251 HydrophobicContact CE1-CZ3 4.23Å; F100-W251 HydrophobicContact CZ-CH2 4.17Å; F100-T301 HydrophobicContact CD2-CG2 3.91Å; F100-T301 HydrophobicContact CE2-CG2 3.76Å; F100-T301 PolarHBondContact O-OG1 3.09Å; F100-S304 WeakPolarHBondContact CB-OG 3.32Å; F100-F305 HydrophobicContact CD2-CE2 4.32Å; F100-F305 HydrophobicContact CD2-CZ 4.02Å; F100-F305 HydrophobicContact CE2-CE1 4.5Å; F100-F305 HydrophobicContact CE2-CE2 4.2Å; F100-F305 AromaticContact CE2-CZ 3.7Å; F100-F305 HydrophobicContact CE2-CZ 3.7Å
101L97.6Very high95.9Very high12 Ų1222.4 Ų22.46%0.06311%0.112CC..Hα-helixtrans-66.1-41.9-176.6-172.759.1000112.3T97 L98 G103 I104 F105 I254 M257 V258 A261T97-L101 WeakPolarHBondContact O-CB 3.15Å; T97-L101 PolarHBondContact O-N 2.91Å; L98-L101 PolarHBondContact O-N 3.28Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 3.21Å; L101-I104 PolarHBondContact O-N 2.75Å; L101-F105 HydrophobicContact CD1-CD2 4.02Å; L101-F105 HydrophobicContact CD1-CE2 3.59Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.23Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.69Å; L101-F105 VanDerWaalsContact O-CD2 3.28Å; L101-F105 WeakPolarHBondContact O-CD2 3.3Å; L101-F105 PolarHBondContact O-N 2.86Å; L101-I254 HydrophobicContact CD1-CG2 3.88Å; L101-I254 HydrophobicContact CD2-CG2 4.02Å; L101-M257 HydrophobicContact CD2-CB 3.9Å; L101-V258 HydrophobicContact CD2-CG2 4.14Å; L101-A261 HydrophobicContact CB-CB 3.96Å; L101-A261 HydrophobicContact CD2-CB 3.74Å; L101-A261 HydrophobicContact CG-CB 3.58Å
102M96.6Very high96.1Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-54.6-45.9171.5172.9-161.916700110.6L98 F105 Q106 A261 V264 A268 N300 P310L98-M102 WeakPolarHBondContact O-CB 3.37Å; L98-M102 PolarHBondContact O-N 3.09Å; M102-F105 PolarHBondContact O-N 3.25Å; M102-Q106 VanDerWaalsContact O-CG 3.3Å; M102-Q106 WeakPolarHBondContact O-CG 3.35Å; M102-Q106 PolarHBondContact O-N 2.83Å; M102-A261 HydrophobicContact CB-CB 4.49Å; M102-V264 HydrophobicContact CE-CG1 4.14Å; M102-V264 HydrophobicContact CG-CG1 4.34Å; M102-V264 HydrophobicContact SD-CB 4.43Å; M102-V264 HydrophobicContact SD-CG1 3.61Å; M102-A268 HydrophobicContact CE-CB 3.31Å; M102-N300 WeakPolarHBondContact CE-ND2 3.32Å; M102-P310 HydrophobicContact SD-CB 3.75Å; M102-P310 HydrophobicContact SD-CG 4.35Å
103G98.2Very high96Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-63.4-43178.300000113T99 F100 L101 F105 Q106 I107 G297 T301T99-G103 PolarHBondContact O-N 2.89Å; F100-G103 PolarHBondContact O-N 3.04Å; F100-G103 VanDerWaalsContact O-N 3.16Å; L101-G103 VanDerWaalsContact C-N 3.27Å; L101-G103 PolarHBondContact O-N 3.21Å; G103-F105 PolarHBondContact O-N 2.77Å; G103-Q106 PolarHBondContact O-N 3.02Å; G103-I107 WeakPolarHBondContact O-CG1 3.39Å; G103-I107 PolarHBondContact O-N 3.2Å; G103-G297 WeakPolarHBondContact CA-O 3.47Å; G103-G297 VanDerWaalsContact O-CA 3.27Å; G103-G297 WeakPolarHBondContact O-CA 3.34Å; G103-T301 VanDerWaalsContact CA-OG1 3.27Å; G103-T301 WeakPolarHBondContact CA-OG1 3.05Å
104I97.9Very high95.7Very high56 Ų5632.8 Ų32.829%0.28717%0.167SC..Hα-helixtrans-60.9-46.6176-66-61000111.1F100 L101 Q106 I107 L108 T301F100-I104 HydrophobicContact CD1-CG1 4.4Å; F100-I104 HydrophobicContact CE1-CG1 3.98Å; F100-I104 HydrophobicContact CE2-CD1 4.41Å; F100-I104 HydrophobicContact CE2-CG1 4.38Å; F100-I104 HydrophobicContact CZ-CD1 4.15Å; F100-I104 HydrophobicContact CZ-CG1 3.96Å; F100-I104 WeakPolarHBondContact O-CG1 3.4Å; F100-I104 PolarHBondContact O-N 3.04Å; L101-I104 PolarHBondContact O-N 2.75Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.49Å; I104-I107 PolarHBondContact O-N 2.83Å; I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.43Å; I104-T301 HydrophobicContact CD1-CG2 3.96Å; I104-T301 PolarHBondContact N-OG1 2.85Å
105F96.3Very high95.2Very high46 Ų4633.2 Ų33.220%0.20217%0.171CC..Hα-helixtrans-62.7-38.7176.7-81.1-64.8000112.7L101 M102 G103 I107 L108 L109 V258 A261 I262L101-F105 HydrophobicContact CD1-CD2 4.02Å; L101-F105 HydrophobicContact CD1-CE2 3.59Å; L101-F105 HydrophobicContact CD1-CZ 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.23Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.69Å; L101-F105 VanDerWaalsContact O-CD2 3.28Å; L101-F105 WeakPolarHBondContact O-CD2 3.3Å; L101-F105 PolarHBondContact O-N 2.86Å; M102-F105 PolarHBondContact O-N 3.25Å; G103-F105 PolarHBondContact O-N 2.77Å; F105-I107 VanDerWaalsContact C-N 3.35Å; F105-I107 PolarHBondContact O-N 3.15Å; F105-L108 HydrophobicContact CD1-CD1 4.21Å; F105-L108 HydrophobicContact CE1-CD1 4.49Å; F105-L108 PolarHBondContact O-N 2.94Å; F105-L109 WeakPolarHBondContact O-CB 3.45Å; F105-L109 VanDerWaalsContact O-CG 3.24Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 2.81Å; F105-V258 HydrophobicContact CE2-CB 4.32Å; F105-V258 HydrophobicContact CE2-CG1 3.96Å; F105-V258 HydrophobicContact CE2-CG2 4.19Å; F105-V258 HydrophobicContact CZ-CB 4.33Å; F105-V258 HydrophobicContact CZ-CG1 3.6Å; F105-V258 HydrophobicContact CZ-CG2 4.15Å; F105-A261 HydrophobicContact CD2-CB 3.92Å; F105-A261 HydrophobicContact CE2-CB 4.25Å; F105-I262 HydrophobicContact CD1-CD1 4.32Å; F105-I262 HydrophobicContact CD1-CG1 3.89Å; F105-I262 HydrophobicContact CD2-CG1 3.93Å; F105-I262 HydrophobicContact CE1-CD1 4.04Å; F105-I262 HydrophobicContact CE1-CG1 4.05Å; F105-I262 HydrophobicContact CE2-CG1 4.08Å; F105-I262 HydrophobicContact CG-CG1 3.85Å; F105-I262 HydrophobicContact CZ-CD1 4.15Å; F105-I262 HydrophobicContact CZ-CG1 4.15Å
106Q97.1Very high94.6Very high1 Ų138.9 Ų38.91%0.00520%0.196CC..Hα-helixtrans-62.2-41.1174.5-74.3179.5-32.700112.1M102 G103 I104 L109 G110 G265 W293 L296 N300M102-Q106 VanDerWaalsContact O-CG 3.3Å; M102-Q106 WeakPolarHBondContact O-CG 3.35Å; M102-Q106 PolarHBondContact O-N 2.83Å; G103-Q106 PolarHBondContact O-N 3.02Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.49Å; Q106-L109 PolarHBondContact O-N 3.45Å; Q106-G110 PolarHBondContact O-N 2.96Å; Q106-G265 PolarHBondContact NE2-O 2.82Å; Q106-W293 HydrophobicContact CB-CE3 3.99Å; Q106-W293 HydrophobicContact CB-CZ3 4.41Å; Q106-W293 HydrophobicContact CG-CE3 3.88Å; Q106-W293 HydrophobicContact CG-CZ3 3.86Å; Q106-L296 VanDerWaalsContact OE1-C 3.23Å; Q106-L296 PolarHBondContact OE1-O 2.65Å; Q106-N300 PolarHBondContact OE1-ND2 2.93Å
107I97.7Very high93.9Very high32 Ų3240 Ų4016%0.16420%0.201CC..Hα-helixtrans-62.1-48.2173.5-66.6165.9000110.3G103 I104 F105 L109 G110 M111 F294 L298G103-I107 WeakPolarHBondContact O-CG1 3.39Å; G103-I107 PolarHBondContact O-N 3.2Å; I104-I107 PolarHBondContact O-N 2.83Å; F105-I107 VanDerWaalsContact C-N 3.35Å; F105-I107 PolarHBondContact O-N 3.15Å; I107-L109 VanDerWaalsContact C-N 3.34Å; I107-L109 PolarHBondContact O-N 2.87Å; I107-G110 CarbonylContact O-C 3.6Å; I107-G110 WeakPolarHBondContact O-CA 3.49Å; I107-G110 PolarHBondContact O-N 3.38Å; I107-G110 VanDerWaalsContact O-N 3.1Å; I107-M111 HydrophobicContact CG2-CG 4.37Å; I107-M111 HydrophobicContact CG2-SD 4.11Å; I107-M111 WeakPolarHBondContact O-CG 3.5Å; I107-M111 PolarHBondContact O-N 3.43Å; I107-F294 HydrophobicContact CG2-CD1 4.31Å; I107-F294 HydrophobicContact CG2-CE1 4.35Å; I107-L298 HydrophobicContact CD1-CD2 4.04Å; I107-L298 HydrophobicContact CD1-CG 4.32Å
108L96.6Very high93.2Very high78 Ų7840.4 Ų40.441%0.40820%0.204SC..Hα-helixtrans-59.1-43.3178.7-69.5173.2000111.9I104 F105 G110 M111 L112I104-L108 HydrophobicContact CG2-CD1 4.06Å; I104-L108 HydrophobicContact CG2-CG 4.38Å; I104-L108 WeakPolarHBondContact O-CG 3.36Å; I104-L108 PolarHBondContact O-N 3.43Å; F105-L108 HydrophobicContact CD1-CD1 4.21Å; F105-L108 HydrophobicContact CE1-CD1 4.49Å; F105-L108 PolarHBondContact O-N 2.94Å; L108-G110 VanDerWaalsContact C-N 3.33Å; L108-G110 PolarHBondContact O-N 3.3Å; L108-M111 HydrophobicContact CD2-SD 4.32Å; L108-M111 WeakPolarHBondContact O-CB 3.17Å; L108-M111 PolarHBondContact O-N 2.79Å; L108-L112 WeakPolarHBondContact O-CG 3.24Å; L108-L112 PolarHBondContact O-N 2.85Å
109L94Very high92.5Very high25 Ų2545.7 Ų45.713%0.13124%0.237CC..Hα-helixtrans-63.3-39175.2-70.1174.2000111.9F105 Q106 I107 L112 N113 M114 I266 W293F105-L109 WeakPolarHBondContact O-CB 3.45Å; F105-L109 VanDerWaalsContact O-CG 3.24Å; F105-L109 WeakPolarHBondContact O-CG 3.48Å; F105-L109 PolarHBondContact O-N 2.81Å; Q106-L109 PolarHBondContact O-N 3.45Å; I107-L109 VanDerWaalsContact C-N 3.34Å; I107-L109 PolarHBondContact O-N 2.87Å; L109-L112 PolarHBondContact O-N 3.43Å; L109-N113 PolarHBondContact O-N 3.45Å; L109-M114 HydrophobicContact CB-CB 4.26Å; L109-M114 HydrophobicContact CB-CG 4.49Å; L109-M114 HydrophobicContact CD2-CB 4.32Å; L109-M114 HydrophobicContact CD2-CE 3.29Å; L109-M114 HydrophobicContact CD2-CG 3.95Å; L109-M114 HydrophobicContact CD2-SD 4.45Å; L109-M114 VanDerWaalsContact O-CB 3.23Å; L109-M114 WeakPolarHBondContact O-CB 3.44Å; L109-M114 WeakPolarHBondContact O-CG 3.47Å; L109-M114 PolarHBondContact O-N 2.76Å; L109-I266 HydrophobicContact CD1-CG1 4.48Å; L109-W293 HydrophobicContact CB-CD2 4.04Å; L109-W293 HydrophobicContact CB-CE3 4.09Å; L109-W293 HydrophobicContact CB-CH2 4.47Å; L109-W293 HydrophobicContact CB-CZ2 4.41Å; L109-W293 HydrophobicContact CB-CZ3 4.31Å; L109-W293 HydrophobicContact CD1-CE3 4.2Å; L109-W293 HydrophobicContact CD1-CH2 3.51Å; L109-W293 HydrophobicContact CD1-CZ2 4.07Å; L109-W293 HydrophobicContact CD1-CZ3 3.58Å
110G94.2Very high91.7Very high1 Ų149.8 Ų49.81%0.0125%0.253CS..Hα-helixtrans-62.4-41.6171.800000112.9Q106 I107 L108 L112 N113 N290 F294Q106-G110 PolarHBondContact O-N 2.96Å; I107-G110 CarbonylContact O-C 3.6Å; I107-G110 WeakPolarHBondContact O-CA 3.49Å; I107-G110 PolarHBondContact O-N 3.38Å; I107-G110 VanDerWaalsContact O-N 3.1Å; L108-G110 VanDerWaalsContact C-N 3.33Å; L108-G110 PolarHBondContact O-N 3.3Å; G110-L112 VanDerWaalsContact C-N 3.31Å; G110-L112 PolarHBondContact O-N 2.93Å; G110-N113 PolarHBondContact O-N 3.38Å; G110-N290 PolarHBondContact O-ND2 3.21Å; G110-N290 PolarHBondContact O-OD1 2.88Å; G110-F294 WeakPolarHBondContact O-CE2 3.32Å; G110-F294 WeakPolarHBondContact O-CZ 3.13Å
111M94.9Very high91.1Very high128 Ų12849.2 Ų49.263%0.63125%0.25SS*.Hα-helixtrans-63.1-37.3176.6-69.217564.800112.1I107 L108 N113 F294I107-M111 HydrophobicContact CG2-CG 4.37Å; I107-M111 HydrophobicContact CG2-SD 4.11Å; I107-M111 WeakPolarHBondContact O-CG 3.5Å; I107-M111 PolarHBondContact O-N 3.43Å; L108-M111 HydrophobicContact CD2-SD 4.32Å; L108-M111 WeakPolarHBondContact O-CB 3.17Å; L108-M111 PolarHBondContact O-N 2.79Å; M111-N113 PolarHBondContact O-N 3.28Å; M111-F294 HydrophobicContact CG-CE1 3.74Å; M111-F294 HydrophobicContact CG-CZ 4.05Å; M111-F294 VanDerWaalsContact N-CZ 3.35Å
112L94.5Very high90.6Very high128 Ų12850 Ų5067%0.6726%0.257SS*.THydrogen-bonded Turntrans-75.55.4174.9-64.9174.9000113.5L108 L109 G110 M114L108-L112 WeakPolarHBondContact O-CG 3.24Å; L108-L112 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.43Å; G110-L112 VanDerWaalsContact C-N 3.31Å; G110-L112 PolarHBondContact O-N 2.93Å; L112-M114 HydrophobicContact CB-CG 3.73Å; L112-M114 PolarHBondContact O-N 3.36Å
113N91Very high90.2Very high104 Ų10455 Ų5556%0.55628%0.284SS*.THydrogen-bonded Turntrans53.136.3-175.8-16117.6000113.1L109 G110 M111 G115 N290L109-N113 PolarHBondContact O-N 3.45Å; G110-N113 PolarHBondContact O-N 3.38Å; M111-N113 PolarHBondContact O-N 3.28Å; N113-G115 PolarHBondContact O-N 3.26Å; N113-N290 WeakPolarHBondContact CA-OD1 3.41Å; N113-N290 VanDerWaalsContact OD1-CG 3.22Å; N113-N290 PolarHBondContact OD1-ND2 3.13Å
114M87.8Confident90Very high47 Ų4757 Ų5723%0.23229%0.293CS..G310 helixtrans-72.219.5179.7-65.3-95-84.400112.4L109 L112 F116 L117 W293L109-M114 HydrophobicContact CB-CB 4.26Å; L109-M114 HydrophobicContact CB-CG 4.49Å; L109-M114 HydrophobicContact CD2-CB 4.32Å; L109-M114 HydrophobicContact CD2-CE 3.29Å; L109-M114 HydrophobicContact CD2-CG 3.95Å; L109-M114 HydrophobicContact CD2-SD 4.45Å; L109-M114 VanDerWaalsContact O-CB 3.23Å; L109-M114 WeakPolarHBondContact O-CB 3.44Å; L109-M114 WeakPolarHBondContact O-CG 3.47Å; L109-M114 PolarHBondContact O-N 2.76Å; L112-M114 HydrophobicContact CB-CG 3.73Å; L112-M114 PolarHBondContact O-N 3.36Å; M114-F116 PolarHBondContact O-N 3.22Å; M114-F116 HydrophobicContact SD-CE1 4.21Å; M114-L117 HydrophobicContact CB-CD1 3.99Å; M114-L117 HydrophobicContact CE-CD1 3.96Å; M114-L117 HydrophobicContact CE-CD2 3.55Å; M114-L117 HydrophobicContact CE-CG 4.42Å; M114-L117 HydrophobicContact CG-CD1 4.36Å; M114-L117 WeakPolarHBondContact O-CB 3.42Å; M114-L117 PolarHBondContact O-N 3.04Å; M114-L117 VanDerWaalsContact O-N 3.16Å; M114-L117 HydrophobicContact SD-CD1 3.49Å; M114-L117 WeakPolarHBondContact SD-CD1 3.28Å; M114-L117 HydrophobicContact SD-CD2 4.25Å; M114-W293 PolarHBondContact O-NE1 3.46Å; M114-W293 VanDerWaalsContact O-NE1 3.12Å
115G83.7Confident89.8Confident8 Ų854.4 Ų54.48%0.08228%0.28CS..G310 helixtrans-59.9-27.7172.200000112.9N113 L117 S118 N290N113-G115 PolarHBondContact O-N 3.26Å; G115-L117 PolarHBondContact O-N 3.37Å; G115-S118 VanDerWaalsContact O-CB 3.32Å; G115-S118 WeakPolarHBondContact O-CB 3.45Å; G115-S118 PolarHBondContact O-N 2.99Å; G115-S118 VanDerWaalsContact O-N 3.16Å; G115-S118 PolarHBondContact O-OG 3.41Å; G115-N290 PolarHBondContact N-OD1 3.06Å
116F83.2Confident89.5Confident119 Ų11952.8 Ų52.852%0.52227%0.274SS..G310 helixtrans-66-22.6176.781.2-87.8000113.1M114 S118 V119 Y120M114-F116 PolarHBondContact O-N 3.22Å; M114-F116 HydrophobicContact SD-CE1 4.21Å; F116-S118 PolarHBondContact O-N 3.05Å; F116-S118 VanDerWaalsContact O-N 3.09Å; F116-V119 VanDerWaalsContact O-CB 3.28Å; F116-V119 WeakPolarHBondContact O-CB 3.45Å; F116-V119 WeakPolarHBondContact O-CG2 3.27Å; F116-V119 PolarHBondContact O-N 2.81Å; F116-Y120 AromaticContact CD2-CE2 3.96Å; F116-Y120 HydrophobicContact CD2-CE2 3.96Å; F116-Y120 AromaticContact CE2-CE2 3.96Å; F116-Y120 HydrophobicContact CE2-CE2 3.96Å
117L80.8Confident89.2Confident30 Ų3054.6 Ų54.616%0.15728%0.282CS..G310 helixtrans-59.2-25174.3-88.666.2000111.9M114 G115 V119 Y120 L121M114-L117 HydrophobicContact CB-CD1 3.99Å; M114-L117 HydrophobicContact CE-CD1 3.96Å; M114-L117 HydrophobicContact CE-CD2 3.55Å; M114-L117 HydrophobicContact CE-CG 4.42Å; M114-L117 HydrophobicContact CG-CD1 4.36Å; M114-L117 WeakPolarHBondContact O-CB 3.42Å; M114-L117 PolarHBondContact O-N 3.04Å; M114-L117 VanDerWaalsContact O-N 3.16Å; M114-L117 HydrophobicContact SD-CD1 3.49Å; M114-L117 WeakPolarHBondContact SD-CD1 3.28Å; M114-L117 HydrophobicContact SD-CD2 4.25Å; G115-L117 PolarHBondContact O-N 3.37Å; L117-V119 PolarHBondContact O-N 3.08Å; L117-Y120 PolarHBondContact O-N 3.07Å; L117-L121 PolarHBondContact O-N 3.39Å
118S81.4Confident89.1Confident9 Ų953 Ų536%0.06327%0.274CS..G310 helixtrans-63.5-9.1174.2760000114.4G115 F116 K277G115-S118 VanDerWaalsContact O-CB 3.32Å; G115-S118 WeakPolarHBondContact O-CB 3.45Å; G115-S118 PolarHBondContact O-N 2.99Å; G115-S118 VanDerWaalsContact O-N 3.16Å; G115-S118 PolarHBondContact O-OG 3.41Å; F116-S118 PolarHBondContact O-N 3.05Å; F116-S118 VanDerWaalsContact O-N 3.09Å; S118-K277 PolarHBondContact O-NZ 3.32Å; S118-K277 PolarHBondContact OG-NZ 2.88Å
119V82.3Confident88.8Confident112 Ų11249.7 Ų49.768%0.67926%0.257SS*.G310 helixtrans-80.6-36171.9179.60000111F116 L117 L121F116-V119 VanDerWaalsContact O-CB 3.28Å; F116-V119 WeakPolarHBondContact O-CB 3.45Å; F116-V119 WeakPolarHBondContact O-CG2 3.27Å; F116-V119 PolarHBondContact O-N 2.81Å; L117-V119 PolarHBondContact O-N 3.08Å; V119-L121 VanDerWaalsContact C-N 3.33Å
120Y82.6Confident88.6Confident86 Ų8649.1 Ų49.134%0.33725%0.254SS..THydrogen-bonded Turntrans-79.9-17.7178.1-61.9-76.4000112.8F116 L117 S122 L414 I417F116-Y120 AromaticContact CD2-CE2 3.96Å; F116-Y120 HydrophobicContact CD2-CE2 3.96Å; F116-Y120 AromaticContact CE2-CE2 3.96Å; F116-Y120 HydrophobicContact CE2-CE2 3.96Å; L117-Y120 PolarHBondContact O-N 3.07Å; Y120-S122 VanDerWaalsContact C-N 3.25Å; Y120-S122 PolarHBondContact O-N 3.25Å; Y120-L414 HydrophobicContact CD1-CD2 3.81Å; Y120-L414 HydrophobicContact CE1-CD2 4.07Å; Y120-L414 HydrophobicContact CG-CD2 4.45Å; Y120-I417 HydrophobicContact CD1-CD1 3.82Å; Y120-I417 HydrophobicContact CE1-CD1 4.1Å
121L84.7Confident88.6Confident11 Ų1149.1 Ų49.16%0.05825%0.254CS..SBendtrans-8172.5173.3-63.9168.8000110.2L117 V119 L125 V126 Y269 S270 F410L117-L121 PolarHBondContact O-N 3.39Å; V119-L121 VanDerWaalsContact C-N 3.33Å; L121-L125 HydrophobicContact CD2-CD2 3.75Å; L121-V126 HydrophobicContact CB-CG2 4.45Å; L121-Y269 HydrophobicContact CD1-CD1 4.33Å; L121-Y269 HydrophobicContact CD1-CE1 4.42Å; L121-S270 WeakPolarHBondContact CD1-OG 3.14Å; L121-S270 WeakPolarHBondContact CD2-OG 3.21Å; L121-F410 HydrophobicContact CD2-CD2 4.42Å; L121-F410 HydrophobicContact CD2-CE2 4.36Å
122S88.1Confident88.6Confident28 Ų2843 Ų4320%0.19622%0.224CC..  trans-60.7153.1-179.769.70000111.9Y120 Q124 L125 V126Y120-S122 VanDerWaalsContact C-N 3.25Å; Y120-S122 PolarHBondContact O-N 3.25Å; S122-Q124 PolarHBondContact O-N 3Å; S122-L125 WeakPolarHBondContact O-CB 2.81Å; S122-L125 PolarHBondContact O-N 3.4Å; S122-L125 VanDerWaalsContact O-N 3.16Å; S122-L125 WeakPolarHBondContact OG-CB 3.05Å; S122-L125 PolarHBondContact OG-N 2.8Å; S122-V126 PolarHBondContact O-N 3.24Å
123D88.3Confident88.5Confident106 Ų10636.9 Ų36.957%0.56719%0.192SC*.Hα-helixtrans-57.1-36.3178.8-69.9-26.6000111.3V126 E127D123-V126 PolarHBondContact O-N 3.41Å; D123-E127 WeakPolarHBondContact O-CB 3.2Å; D123-E127 VanDerWaalsContact O-CG 3.27Å; D123-E127 WeakPolarHBondContact O-CG 3.3Å; D123-E127 PolarHBondContact O-N 3.37Å
124Q93.6Very high88.6Confident43 Ų4332 Ų3220%0.20117%0.165CC..Hα-helixtrans-72.4-36-179.6-6284.7-1.200113S122 G128 L379 D386 W390S122-Q124 PolarHBondContact O-N 3Å; Q124-G128 PolarHBondContact O-N 3.26Å; Q124-L379 HydrophobicContact CG-CD1 4.05Å; Q124-L379 HydrophobicContact CG-CD2 3.94Å; Q124-D386 HydrophobicContact CG-CB 3.96Å; Q124-W390 HydrophobicContact CB-CB 4.32Å
125L92.8Very high89Confident0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-59.5-53.3169.6174.473.3000109.2L121 S122 E127 G128 L129 I389 S393 F410 V413L121-L125 HydrophobicContact CD2-CD2 3.75Å; S122-L125 WeakPolarHBondContact O-CB 2.81Å; S122-L125 PolarHBondContact O-N 3.4Å; S122-L125 VanDerWaalsContact O-N 3.16Å; S122-L125 WeakPolarHBondContact OG-CB 3.05Å; S122-L125 PolarHBondContact OG-N 2.8Å; L125-E127 PolarHBondContact O-N 3.41Å; L125-G128 PolarHBondContact O-N 3.4Å; L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CG 4.3Å; L125-L129 HydrophobicContact CG-CD1 3.89Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 2.73Å; L125-I389 HydrophobicContact CB-CG2 3.99Å; L125-S393 VanDerWaalsContact CD1-OG 3.24Å; L125-S393 WeakPolarHBondContact CD1-OG 3.36Å; L125-F410 HydrophobicContact CD2-CD2 4.43Å; L125-V413 HydrophobicContact CB-CG2 4.26Å; L125-V413 HydrophobicContact CD1-CG2 3.93Å; L125-V413 HydrophobicContact CD2-CG2 4.27Å; L125-V413 HydrophobicContact CG-CG2 4.37Å
126V89.9Confident89.5Confident13 Ų1331.1 Ų31.18%0.07916%0.159CC..Hα-helixtrans-64.3-40.5-177.2178.80000112L121 S122 D123 L129 T130L121-V126 HydrophobicContact CB-CG2 4.45Å; S122-V126 PolarHBondContact O-N 3.24Å; D123-V126 PolarHBondContact O-N 3.41Å; V126-L129 PolarHBondContact O-N 2.65Å; V126-T130 HydrophobicContact CG1-CG2 4.28Å; V126-T130 WeakPolarHBondContact O-CB 3.46Å; V126-T130 VanDerWaalsContact O-CG2 3.29Å; V126-T130 WeakPolarHBondContact O-CG2 3.44Å; V126-T130 PolarHBondContact O-N 2.95Å; V126-T130 PolarHBondContact O-OG1 2.85Å
127E91.8Very high90Very high38 Ų3825.4 Ų25.418%0.17814%0.135CC..Hα-helixtrans-62-48174-76.2-174.9178.900111.6D123 L125 L129 T130 C131 Q372 R375D123-E127 WeakPolarHBondContact O-CB 3.2Å; D123-E127 VanDerWaalsContact O-CG 3.27Å; D123-E127 WeakPolarHBondContact O-CG 3.3Å; D123-E127 PolarHBondContact O-N 3.37Å; L125-E127 PolarHBondContact O-N 3.41Å; E127-L129 PolarHBondContact O-N 2.95Å; E127-T130 PolarHBondContact O-N 3.45Å; E127-T130 PolarHBondContact O-OG1 2.72Å; E127-C131 VanDerWaalsContact O-CB 3.27Å; E127-C131 WeakPolarHBondContact O-CB 3.44Å; E127-C131 PolarHBondContact O-N 3.19Å; E127-Q372 PolarHBondContact O-OE1 2.79Å; E127-R375 IonicContact OE1-CZ 2.86Å; E127-R375 IonicContact OE1-NH1 3.02Å; E127-R375 PolarHBondContact OE1-NH1 2.78Å
128G94.6Very high90.6Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-60.3-45.4177.200000112.3Q124 L125 C131 G132 F394Q124-G128 PolarHBondContact O-N 3.26Å; L125-G128 PolarHBondContact O-N 3.4Å; G128-C131 PolarHBondContact O-N 3.32Å; G128-G132 PolarHBondContact O-N 3.16Å; G128-F394 WeakPolarHBondContact O-CA 3.37Å
129L91.4Very high91.3Very high8 Ų825.8 Ų25.84%0.04214%0.136CC..Hα-helixtrans-60.1-49.6176.3-69.8174000111.8L125 V126 E127 G132 A133 I397 L406L125-L129 HydrophobicContact CD1-CD1 4.11Å; L125-L129 HydrophobicContact CD1-CG 4.3Å; L125-L129 HydrophobicContact CG-CD1 3.89Å; L125-L129 HydrophobicContact CG-CG 4.4Å; L125-L129 WeakPolarHBondContact O-CB 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 2.73Å; V126-L129 PolarHBondContact O-N 2.65Å; E127-L129 PolarHBondContact O-N 2.95Å; L129-G132 PolarHBondContact O-N 2.86Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.3Å; L129-A133 PolarHBondContact O-N 3.36Å; L129-I397 HydrophobicContact CD2-CD1 3.52Å; L129-I397 HydrophobicContact CD2-CG1 3.56Å; L129-L406 HydrophobicContact CD1-CD1 3.68Å; L129-L406 HydrophobicContact CD2-CD1 4.34Å
130T89.6Confident91.8Very high13 Ų1321.6 Ų21.68%0.0811%0.111CC..Hα-helixtrans-68-38.8-178.555.70000112.1V126 E127 A133 A134 I271 M369 Q372V126-T130 HydrophobicContact CG1-CG2 4.28Å; V126-T130 WeakPolarHBondContact O-CB 3.46Å; V126-T130 VanDerWaalsContact O-CG2 3.29Å; V126-T130 WeakPolarHBondContact O-CG2 3.44Å; V126-T130 PolarHBondContact O-N 2.95Å; V126-T130 PolarHBondContact O-OG1 2.85Å; E127-T130 PolarHBondContact O-N 3.45Å; E127-T130 PolarHBondContact O-OG1 2.72Å; T130-A133 WeakPolarHBondContact O-CB 3.41Å; T130-A133 PolarHBondContact O-N 2.93Å; T130-A134 WeakPolarHBondContact O-CB 3.46Å; T130-A134 PolarHBondContact O-N 3.14Å; T130-I271 HydrophobicContact CG2-CD1 3.94Å; T130-I271 HydrophobicContact CG2-CG1 3.98Å; T130-M369 HydrophobicContact CG2-CE 4.32Å; T130-M369 WeakPolarHBondContact O-CE 3.48Å; T130-Q372 PolarHBondContact OG1-OE1 2.7Å
131C94Very high92.4Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-65.6-41.3174.8-168.70000111.8E127 G128 A134 I135 W390 F394E127-C131 VanDerWaalsContact O-CB 3.27Å; E127-C131 WeakPolarHBondContact O-CB 3.44Å; E127-C131 PolarHBondContact O-N 3.19Å; G128-C131 PolarHBondContact O-N 3.32Å; C131-A134 WeakPolarHBondContact O-CB 3.5Å; C131-A134 PolarHBondContact O-N 2.77Å; C131-I135 PolarHBondContact O-N 2.87Å; C131-W390 HydrophobicContact CB-CH2 4.38Å; C131-W390 HydrophobicContact CB-CZ2 3.89Å; C131-F394 HydrophobicContact CB-CD2 4.02Å; C131-F394 HydrophobicContact CB-CE2 4.36Å
132G95Very high92.9Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-62.8-44.5174.100000111.6G128 L129 A134 I135 L136G128-G132 PolarHBondContact O-N 3.16Å; L129-G132 PolarHBondContact O-N 2.86Å; G132-A134 VanDerWaalsContact C-N 3.28Å; G132-A134 PolarHBondContact O-N 2.79Å; G132-I135 WeakPolarHBondContact O-CB 3.35Å; G132-I135 PolarHBondContact O-N 3.29Å; G132-I135 VanDerWaalsContact O-N 3.08Å; G132-L136 PolarHBondContact O-N 3.11Å; G132-L136 VanDerWaalsContact O-N 3.14Å
133A91.8Very high93.2Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-59.4-38.517400000112.4V41 L129 T130 I135 L136 V137 M402V41-A133 HydrophobicContact CB-CB 4.39Å; V41-A133 HydrophobicContact CG1-CB 3.93Å; V41-A133 HydrophobicContact CG2-CB 3.73Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.3Å; L129-A133 PolarHBondContact O-N 3.36Å; T130-A133 WeakPolarHBondContact O-CB 3.41Å; T130-A133 PolarHBondContact O-N 2.93Å; A133-I135 VanDerWaalsContact C-N 3.27Å; A133-I135 PolarHBondContact O-N 3.44Å; A133-L136 PolarHBondContact O-N 2.87Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 2.93Å; A133-V137 PolarHBondContact O-N 2.98Å; A133-M402 HydrophobicContact CB-CE 3.31Å
134A93.9Very high93.4Very high0 Ų015.2 Ų15.20%09%0.085CC..Hα-helixtrans-62.5-35.5176.800000111.7T130 C131 G132 L138 L366 M369 L370T130-A134 WeakPolarHBondContact O-CB 3.46Å; T130-A134 PolarHBondContact O-N 3.14Å; C131-A134 WeakPolarHBondContact O-CB 3.5Å; C131-A134 PolarHBondContact O-N 2.77Å; G132-A134 VanDerWaalsContact C-N 3.28Å; G132-A134 PolarHBondContact O-N 2.79Å; A134-L138 VanDerWaalsContact O-CB 3.27Å; A134-L138 WeakPolarHBondContact O-CB 3.37Å; A134-L138 PolarHBondContact O-N 3.49Å; A134-L366 HydrophobicContact CB-CD2 4.07Å; A134-L366 WeakPolarHBondContact O-CD1 3.48Å; A134-M369 HydrophobicContact CB-CB 3.8Å; A134-M369 HydrophobicContact CB-CE 4.22Å; A134-M369 HydrophobicContact CB-SD 4.45Å; A134-L370 HydrophobicContact CB-CD2 3.84Å; A134-L370 HydrophobicContact CB-CG 4.16Å
135I95.7Very high93.6Very high36 Ų3613.3 Ų13.319%0.1858%0.076CC..Hα-helixtrans-66.1-45.3172.2-61.7-62.9000110.8C131 G132 A133 V137 L138 T139 L370 F394 I398C131-I135 PolarHBondContact O-N 2.87Å; G132-I135 WeakPolarHBondContact O-CB 3.35Å; G132-I135 PolarHBondContact O-N 3.29Å; G132-I135 VanDerWaalsContact O-N 3.08Å; A133-I135 VanDerWaalsContact C-N 3.27Å; A133-I135 PolarHBondContact O-N 3.44Å; I135-V137 VanDerWaalsContact C-N 3.32Å; I135-V137 PolarHBondContact O-N 3.33Å; I135-L138 WeakPolarHBondContact O-CB 3.42Å; I135-L138 PolarHBondContact O-N 3.11Å; I135-T139 PolarHBondContact O-N 3.42Å; I135-T139 PolarHBondContact O-OG1 3.06Å; I135-L370 HydrophobicContact CD1-CD2 3.57Å; I135-L370 HydrophobicContact CG1-CD2 4.18Å; I135-F394 HydrophobicContact CG1-CE2 4.02Å; I135-F394 HydrophobicContact CG1-CZ 4.25Å; I135-I398 HydrophobicContact CB-CD1 4.08Å; I135-I398 HydrophobicContact CB-CG1 4.21Å; I135-I398 HydrophobicContact CG1-CD1 4.04Å; I135-I398 HydrophobicContact CG2-CD1 4.11Å; I135-I398 HydrophobicContact CG2-CG1 4.23Å
136L93.6Very high93.8Very high1 Ų115.5 Ų15.51%0.0059%0.086CC..Hα-helixtrans-60.6-41.9176.6-58.4-179.4000112.2L44 G132 A133 T139 S140 V160 I397L44-L136 HydrophobicContact CD2-CB 3.31Å; L44-L136 HydrophobicContact CD2-CD1 4.22Å; L44-L136 HydrophobicContact CD2-CG 4.42Å; G132-L136 PolarHBondContact O-N 3.11Å; G132-L136 VanDerWaalsContact O-N 3.14Å; A133-L136 PolarHBondContact O-N 2.87Å; L136-T139 PolarHBondContact O-N 3.33Å; L136-S140 PolarHBondContact O-N 3.24Å; L136-V160 HydrophobicContact CD2-CG2 3.24Å; L136-I397 HydrophobicContact CD1-CG2 3.63Å; L136-I397 HydrophobicContact CG-CG2 4.23Å
137V93.2Very high94Very high0 Ų015.7 Ų15.70%09%0.09CC..Hα-helixtrans-64.4-45.8175.5179.10000109.7L6 L44 A133 I135 T139 S140 Q141 I362 L366L6-V137 HydrophobicContact CD2-CG1 3.89Å; L6-V137 HydrophobicContact CD2-CG2 4.43Å; L44-V137 HydrophobicContact CB-CG2 4.02Å; L44-V137 HydrophobicContact CD2-CG2 3.77Å; L44-V137 HydrophobicContact CG-CG2 4.42Å; A133-V137 VanDerWaalsContact O-CG2 3.28Å; A133-V137 WeakPolarHBondContact O-CG2 2.93Å; A133-V137 PolarHBondContact O-N 2.98Å; I135-V137 VanDerWaalsContact C-N 3.32Å; I135-V137 PolarHBondContact O-N 3.33Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 2.75Å; V137-S140 WeakPolarHBondContact CA-OG 3.03Å; V137-S140 PolarHBondContact O-N 3.07Å; V137-S140 VanDerWaalsContact O-N 3.14Å; V137-S140 PolarHBondContact O-OG 3.37Å; V137-Q141 HydrophobicContact CG1-CG 4.38Å; V137-Q141 WeakPolarHBondContact O-CG 3.35Å; V137-Q141 PolarHBondContact O-N 3.35Å; V137-Q141 VanDerWaalsContact O-N 3.11Å; V137-I362 HydrophobicContact CG1-CG2 3.53Å; V137-L366 HydrophobicContact CB-CD1 4.09Å; V137-L366 HydrophobicContact CB-CD2 4.04Å; V137-L366 HydrophobicContact CG1-CD1 3.95Å; V137-L366 HydrophobicContact CG1-CD2 3.97Å; V137-L366 HydrophobicContact CG1-CG 4.39Å
138L95.4Very high94.1Very high47 Ų4714.1 Ų14.125%0.2468%0.083CC..Hα-helixtrans-52.7-51.4175.5-176.8102000110.7A134 I135 S140 Q141 L142 L363 L366A134-L138 VanDerWaalsContact O-CB 3.27Å; A134-L138 WeakPolarHBondContact O-CB 3.37Å; A134-L138 PolarHBondContact O-N 3.49Å; I135-L138 WeakPolarHBondContact O-CB 3.42Å; I135-L138 PolarHBondContact O-N 3.11Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.15Å; L138-Q141 PolarHBondContact O-N 2.94Å; L138-Q141 VanDerWaalsContact O-N 3.09Å; L138-L142 PolarHBondContact O-N 3.44Å; L138-L363 HydrophobicContact CB-CD2 4.43Å; L138-L363 HydrophobicContact CD1-CD2 3.46Å; L138-L363 VanDerWaalsContact CD1-CD2 3.46Å; L138-L363 HydrophobicContact CG-CD2 3.99Å; L138-L366 HydrophobicContact CB-CD1 3.95Å; L138-L366 HydrophobicContact CD1-CD1 4.41Å
139T94.9Very high93.7Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-56.9-45.8177.6-54.80000111.5I135 L136 V137 Q141 L142 V154 F163 Y164I135-T139 PolarHBondContact O-N 3.42Å; I135-T139 PolarHBondContact O-OG1 3.06Å; L136-T139 PolarHBondContact O-N 3.33Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 2.75Å; T139-Q141 PolarHBondContact O-N 3Å; T139-L142 WeakPolarHBondContact O-CB 3.18Å; T139-L142 PolarHBondContact O-N 3.4Å; T139-V154 HydrophobicContact CG2-CG1 3.9Å; T139-F163 HydrophobicContact CG2-CB 4.05Å; T139-F163 HydrophobicContact CG2-CD1 3.22Å; T139-F163 HydrophobicContact CG2-CD2 3.89Å; T139-F163 HydrophobicContact CG2-CE1 3.57Å; T139-F163 HydrophobicContact CG2-CE2 4.18Å; T139-F163 HydrophobicContact CG2-CG 3.43Å; T139-F163 VanDerWaalsContact CG2-CG 3.43Å; T139-F163 HydrophobicContact CG2-CZ 4.04Å; T139-F163 VanDerWaalsContact O-CZ 3.29Å; T139-F163 WeakPolarHBondContact O-CZ 3.32Å; T139-Y164 HydrophobicContact CG2-CE2 3.97Å; T139-Y164 WeakPolarHBondContact OG1-CE2 3.43Å; T139-Y164 PolarHBondContact OG1-OH 2.85Å; T139-Y164 VanDerWaalsContact OG1-OH 3.09Å
140S92.3Very high93.1Very high23 Ų2321.2 Ų21.216%0.16112%0.122CC..Hα-helixtrans-64-21.3178.276.80000114.6L6 L136 V137 L138 P143L6-S140 WeakPolarHBondContact CD1-OG 3.3Å; L136-S140 PolarHBondContact O-N 3.24Å; V137-S140 WeakPolarHBondContact CA-OG 3.03Å; V137-S140 PolarHBondContact O-N 3.07Å; V137-S140 VanDerWaalsContact O-N 3.14Å; V137-S140 PolarHBondContact O-OG 3.37Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.15Å; S140-P143 WeakPolarHBondContact O-CD 3.47Å
141Q95Very high93Very high11 Ų1121.7 Ų21.75%0.05112%0.124CC..Hα-helixtrans-89.5-17.8179.8-65.4-43.2-7800113.2V137 L138 T139 P143 S144 A145 A359 I362 L363V137-Q141 HydrophobicContact CG1-CG 4.38Å; V137-Q141 WeakPolarHBondContact O-CG 3.35Å; V137-Q141 PolarHBondContact O-N 3.35Å; V137-Q141 VanDerWaalsContact O-N 3.11Å; L138-Q141 PolarHBondContact O-N 2.94Å; L138-Q141 VanDerWaalsContact O-N 3.09Å; T139-Q141 PolarHBondContact O-N 3Å; Q141-P143 VanDerWaalsContact C-CD 3.41Å; Q141-S144 PolarHBondContact O-N 3.28Å; Q141-A145 WeakPolarHBondContact O-CB 3.28Å; Q141-A145 PolarHBondContact O-N 3.45Å; Q141-A359 HydrophobicContact CB-CB 4.23Å; Q141-I362 HydrophobicContact CG-CB 4.09Å; Q141-I362 HydrophobicContact CG-CG2 3.73Å; Q141-L363 HydrophobicContact CB-CD2 3.94Å; Q141-L363 HydrophobicContact CB-CG 4.11Å; Q141-L363 HydrophobicContact CG-CD2 4.45Å
142L95.7Very high92.5Very high22 Ų2222.4 Ų22.412%0.11513%0.129CC..Hα-helixtrans-57.4-40.7-179.8-65.7179.3000114.2L138 T139 S144 A145 F146 F163 Y164 F167L138-L142 PolarHBondContact O-N 3.44Å; T139-L142 WeakPolarHBondContact O-CB 3.18Å; T139-L142 PolarHBondContact O-N 3.4Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.87Å; L142-A145 PolarHBondContact O-N 3.21Å; L142-F146 HydrophobicContact CD2-CD2 4.32Å; L142-F146 HydrophobicContact CD2-CE2 3.95Å; L142-F146 WeakPolarHBondContact O-CD2 3.12Å; L142-F146 PolarHBondContact O-N 2.92Å; L142-F163 HydrophobicContact CB-CE1 4.22Å; L142-F163 HydrophobicContact CB-CZ 4.11Å; L142-F163 HydrophobicContact CD1-CE1 3.93Å; L142-Y164 HydrophobicContact CD1-CE1 3.67Å; L142-F167 HydrophobicContact CB-CD2 4.44Å; L142-F167 HydrophobicContact CB-CE2 4Å; L142-F167 HydrophobicContact CD1-CE2 4.46Å; L142-F167 HydrophobicContact CD1-CZ 4.45Å
143P94.1Very high91.8Very high32 Ų3225.6 Ų25.621%0.20815%0.149CC..Hα-helixtrans-58.1-45.1177.8-2131.5000112.1S140 Q141 G147 I148 L151 F163S140-P143 WeakPolarHBondContact O-CD 3.47Å; Q141-P143 VanDerWaalsContact C-CD 3.41Å; P143-G147 CarbonylContact O-C 3.58Å; P143-G147 VanDerWaalsContact O-CA 3.28Å; P143-G147 WeakPolarHBondContact O-CA 3.22Å; P143-G147 PolarHBondContact O-N 2.95Å; P143-I148 PolarHBondContact O-N 3.44Å; P143-L151 HydrophobicContact CB-CD1 3.78Å; P143-L151 HydrophobicContact CG-CB 4.27Å; P143-L151 HydrophobicContact CG-CD1 3.78Å; P143-F163 HydrophobicContact CG-CE2 3.98Å; P143-F163 HydrophobicContact CG-CZ 3.92Å
144S94.2Very high91.3Very high33 Ų3326 Ų2623%0.23115%0.151CC..Hα-helixtrans-75-29.9179-60.50000113.4Q141 L142 C356Q141-S144 PolarHBondContact O-N 3.28Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.87Å; S144-C356 WeakPolarHBondContact O-CA 3.24Å; S144-C356 WeakPolarHBondContact O-CB 3.36Å
145A96.9Very high90.4Very high3 Ų327.6 Ų27.63%0.02517%0.167CC..Hα-helixtrans-72.2-39.117700000112.3Q141 L142 S182 L363Q141-A145 WeakPolarHBondContact O-CB 3.28Å; Q141-A145 PolarHBondContact O-N 3.45Å; L142-A145 PolarHBondContact O-N 3.21Å; A145-S182 PolarHBondContact O-OG 3.02Å; A145-S182 VanDerWaalsContact O-OG 3.11Å; A145-L363 HydrophobicContact CB-CD1 4.26Å
146F97.5Very high89.7Confident46 Ų4629 Ų2920%0.20217%0.172CC..Hα-helixtrans-92.5-13.6179.3-75.8-107.2000113.3L142 I148 F167 I171 T174 N175 L179L142-F146 HydrophobicContact CD2-CD2 4.32Å; L142-F146 HydrophobicContact CD2-CE2 3.95Å; L142-F146 WeakPolarHBondContact O-CD2 3.12Å; L142-F146 PolarHBondContact O-N 2.92Å; F146-I148 VanDerWaalsContact C-N 3.32Å; F146-I148 HydrophobicContact CB-CD1 3.77Å; F146-I148 HydrophobicContact CB-CG1 3.82Å; F146-I148 HydrophobicContact CG-CD1 4.4Å; F146-F167 HydrophobicContact CB-CE2 4.49Å; F146-F167 HydrophobicContact CD1-CE2 4.46Å; F146-F167 HydrophobicContact CD1-CZ 4.05Å; F146-F167 HydrophobicContact CD2-CE2 4.13Å; F146-F167 AromaticContact CD2-CZ 3.96Å; F146-F167 HydrophobicContact CD2-CZ 3.96Å; F146-F167 HydrophobicContact CE1-CZ 4.02Å; F146-F167 AromaticContact CE2-CZ 3.94Å; F146-F167 HydrophobicContact CE2-CZ 3.94Å; F146-F167 HydrophobicContact CG-CE2 4.11Å; F146-F167 HydrophobicContact CG-CZ 4.04Å; F146-F167 AromaticContact CZ-CZ 3.97Å; F146-F167 HydrophobicContact CZ-CZ 3.97Å; F146-I171 HydrophobicContact CD1-CD1 3.95Å; F146-I171 HydrophobicContact CE1-CD1 3.91Å; F146-T174 HydrophobicContact CB-CG2 4.11Å; F146-T174 HydrophobicContact CD1-CG2 3.84Å; F146-T174 HydrophobicContact CG-CG2 4.44Å; F146-T174 VanDerWaalsContact O-CG2 3.31Å; F146-T174 WeakPolarHBondContact O-CG2 3.45Å; F146-N175 PolarHBondContact O-N 3.41Å; F146-L179 HydrophobicContact CD1-CD1 3.88Å; F146-L179 HydrophobicContact CD1-CD2 4.49Å; F146-L179 HydrophobicContact CD2-CD1 4.38Å; F146-L179 HydrophobicContact CE1-CD1 3.79Å; F146-L179 HydrophobicContact CE1-CD2 4.41Å; F146-L179 HydrophobicContact CE2-CD1 4.3Å; F146-L179 HydrophobicContact CG-CD1 4.17Å; F146-L179 HydrophobicContact CZ-CD1 4Å
147G94.2Very high89.4Confident16 Ų1631.3 Ų31.317%0.16519%0.188CC..THydrogen-bonded Turntrans68.130.6-174.200000113.2P143P143-G147 CarbonylContact O-C 3.58Å; P143-G147 VanDerWaalsContact O-CA 3.28Å; P143-G147 WeakPolarHBondContact O-CA 3.22Å; P143-G147 PolarHBondContact O-N 2.95Å
148I93.3Very high89.2Confident6 Ų636.3 Ų36.33%0.03121%0.21CC..  trans-94.7129.9178.3-57.8169.5000109.1P143 F146 L151 F167 R170 I171 T174P143-I148 PolarHBondContact O-N 3.44Å; F146-I148 VanDerWaalsContact C-N 3.32Å; F146-I148 HydrophobicContact CB-CD1 3.77Å; F146-I148 HydrophobicContact CB-CG1 3.82Å; F146-I148 HydrophobicContact CG-CD1 4.4Å; I148-L151 HydrophobicContact CB-CD1 3.67Å; I148-L151 HydrophobicContact CG2-CD1 3.55Å; I148-L151 HydrophobicContact CG2-CG 4.04Å; I148-F167 HydrophobicContact CD1-CD2 4.12Å; I148-F167 HydrophobicContact CD1-CE2 3.78Å; I148-R170 HydrophobicContact CG2-CB 4.09Å; I148-I171 HydrophobicContact CD1-CD1 4.33Å; I148-T174 WeakPolarHBondContact CD1-OG1 3.43Å
149K86Confident88.9Confident126 Ų12634.2 Ų34.255%0.54820%0.199SC..  trans-104.6157.1178.5-62-179.5-179.91780111.8D234K149-D234 VanDerWaalsContact CE-OD1 3.28Å; K149-D234 WeakPolarHBondContact CE-OD1 3.45Å; K149-D234 WeakPolarHBondContact CE-OD2 3.48Å; K149-D234 IonicContact NZ-OD1 2.78Å; K149-D234 PolarHBondContact NZ-OD1 3.41Å; K149-D234 IonicContact NZ-OD2 3.6Å
150G79.9Confident88.8Confident31 Ų3134.8 Ų34.832%0.3220%0.203SC..SBendtrans70.929.9178.200000114.1
151L86.8Confident88.8Confident23 Ų2337.7 Ų37.712%0.1222%0.216CC..PPolyproline II helixtrans-80.7145.8168.6-81.3148.3000109.6P143 I148 F163 F167P143-L151 HydrophobicContact CB-CD1 3.78Å; P143-L151 HydrophobicContact CG-CB 4.27Å; P143-L151 HydrophobicContact CG-CD1 3.78Å; I148-L151 HydrophobicContact CB-CD1 3.67Å; I148-L151 HydrophobicContact CG2-CD1 3.55Å; I148-L151 HydrophobicContact CG2-CG 4.04Å; L151-F163 HydrophobicContact CB-CE2 3.99Å; L151-F163 HydrophobicContact CB-CZ 4.46Å; L151-F163 HydrophobicContact CD1-CZ 4.32Å; L151-F163 HydrophobicContact CD2-CE1 4.4Å; L151-F163 HydrophobicContact CD2-CE2 4.19Å; L151-F163 HydrophobicContact CD2-CZ 4.04Å; L151-F167 HydrophobicContact CD1-CD2 4.21Å; L151-F167 HydrophobicContact CD2-CB 3.74Å; L151-F167 HydrophobicContact CD2-CD2 4.06Å; L151-F167 HydrophobicContact CD2-CG 4.42Å
152P83.5Confident88.5Confident15 Ų1539.6 Ų39.610%0.09722%0.222CC..PPolyproline II helixtrans-63.5156.7174.831.3-37.7000110.4R162 F163 C166P152-R162 VanDerWaalsContact CB-NH2 3.34Å; P152-F163 HydrophobicContact CG-CB 4.17Å; P152-F163 HydrophobicContact CG-CD2 4.22Å; P152-F163 WeakPolarHBondContact O-CD2 3.27Å; P152-C166 HydrophobicContact CG-CB 4.11Å
153T79.4Confident88.3Confident67 Ų6738.7 Ų38.741%0.41122%0.218SC..PPolyproline II helixtrans-92.4156.4178.761.40000111.7Q51 H156Q51-T153 PolarHBondContact OE1-OG1 3.25Å; T153-H156 PolarHBondContact O-CE1 2.84Å
154V81.4Confident88.4Confident9 Ų940 Ų406%0.05522%0.219CC..SBendtrans-91.9137.7171.7-65.90000108.8L44 T139 F163L44-V154 HydrophobicContact CD1-CG2 3.75Å; T139-V154 HydrophobicContact CG2-CG1 3.9Å; V154-F163 HydrophobicContact CG1-CD2 4.48Å
155G74.8Confident88.2Confident32 Ų3239.3 Ų39.333%0.3322%0.216SC..SBendtrans148.43.9-175.200000115.3D401G155-D401 WeakPolarHBondContact CA-OD1 3.38Å; G155-D401 PolarHBondContact N-OD1 3.45Å
156H81.4Confident87.9Confident65 Ų6539.1 Ų39.130%0.30122%0.215SC..SBendtrans-133.3158.717443.6-83.4000110.1T153 F158 A159 R162T153-H156 PolarHBondContact O-CE1 2.84Å; H156-F158 PolarHBondContact O-N 3.42Å; H156-A159 WeakPolarHBondContact O-CB 3.43Å; H156-A159 PolarHBondContact O-N 3.43Å; H156-R162 PolarHBondContact CE1-NH2 2.83Å; H156-R162 PolarHBondContact NE2-NE 2.86Å; H156-R162 PolarHBondContact NE2-NH2 3.43Å
157P86.9Confident87.8Confident51 Ų5137.4 Ų37.433%0.33121%0.208SC..THydrogen-bonded Turntrans-51.7137174.9-28.536.6000112A159 F400 Y404P157-A159 PolarHBondContact O-N 2.71Å; P157-A159 VanDerWaalsContact O-N 3.11Å; P157-F400 HydrophobicContact CB-CD1 4.46Å; P157-Y404 HydrophobicContact CG-CD2 4.03Å; P157-Y404 HydrophobicContact CG-CE2 4.05Å
158F90.7Very high87.8Confident104 Ų10443.1 Ų43.146%0.45623%0.228SC..THydrogen-bonded Turntrans60.811.4-178.3-49.6-77000115.4H156 V160 I161 R162 L399 F400H156-F158 PolarHBondContact O-N 3.42Å; F158-V160 PolarHBondContact O-N 2.89Å; F158-I161 HydrophobicContact CD1-CD1 4.03Å; F158-I161 PolarHBondContact O-N 2.78Å; F158-I161 VanDerWaalsContact O-N 3.14Å; F158-R162 PolarHBondContact O-N 2.99Å; F158-L399 WeakPolarHBondContact CA-O 3.2Å; F158-L399 PolarHBondContact N-O 3.23Å; F158-F400 HydrophobicContact CE1-CE1 4.13Å; F158-F400 HydrophobicContact CE2-CD1 4.42Å; F158-F400 HydrophobicContact CE2-CE1 4.12Å; F158-F400 HydrophobicContact CZ-CD1 4.19Å; F158-F400 AromaticContact CZ-CE1 3.58Å; F158-F400 HydrophobicContact CZ-CE1 3.58Å
159A87.7Confident87.6Confident3 Ų346.5 Ų46.53%0.02525%0.245CC..Hα-helixtrans-56.8-35179.100000112.9H156 P157 R162 F163H156-A159 WeakPolarHBondContact O-CB 3.43Å; H156-A159 PolarHBondContact O-N 3.43Å; P157-A159 PolarHBondContact O-N 2.71Å; P157-A159 VanDerWaalsContact O-N 3.11Å; A159-R162 PolarHBondContact O-N 2.97Å; A159-F163 WeakPolarHBondContact O-CB 3.28Å; A159-F163 PolarHBondContact O-N 3.29Å
160V92.6Very high87.8Confident12 Ų1243.2 Ų43.27%0.07323%0.229CC..Hα-helixtrans-63.1-44.2179.2-179.40000111.4L136 F158 R162 F163 Y164 I398L136-V160 HydrophobicContact CD2-CG2 3.24Å; F158-V160 PolarHBondContact O-N 2.89Å; V160-R162 VanDerWaalsContact C-N 3.34Å; V160-F163 WeakPolarHBondContact O-CB 3.44Å; V160-F163 PolarHBondContact O-N 2.99Å; V160-Y164 HydrophobicContact CG1-CD2 3.7Å; V160-Y164 HydrophobicContact CG1-CE2 3.62Å; V160-Y164 VanDerWaalsContact O-CD2 3.25Å; V160-Y164 WeakPolarHBondContact O-CD2 3.36Å; V160-Y164 PolarHBondContact O-N 2.89Å; V160-I398 HydrophobicContact CG1-CG2 4.33Å; V160-I398 WeakPolarHBondContact CG2-O 3.12Å
161I92Very high88.5Confident85 Ų8544.2 Ų44.244%0.43623%0.226SC..Hα-helixtrans-63.1-46.8178.5-59.4176.5000109.2F158 F163 Y164 G165 L399F158-I161 HydrophobicContact CD1-CD1 4.03Å; F158-I161 PolarHBondContact O-N 2.78Å; F158-I161 VanDerWaalsContact O-N 3.14Å; I161-F163 VanDerWaalsContact C-N 3.32Å; I161-F163 PolarHBondContact O-N 3.12Å; I161-Y164 PolarHBondContact O-N 3.12Å; I161-G165 PolarHBondContact O-N 2.91Å; I161-G165 VanDerWaalsContact O-N 3.1Å; I161-L399 HydrophobicContact CD1-CD2 4.16Å
162R89.3Confident88.8Confident51 Ų5150.9 Ų50.919%0.19226%0.259CS..Hα-helixtrans-60-43.3177.2-167175.670.8104.5-12.6112F76 P152 H156 F158 A159 V160 G165 C166F76-R162 WeakPolarHBondContact O-CG 3.32Å; F76-R162 PolarHBondContact O-NH1 3.23Å; P152-R162 VanDerWaalsContact CB-NH2 3.34Å; H156-R162 PolarHBondContact CE1-NH2 2.83Å; H156-R162 PolarHBondContact NE2-NE 2.86Å; H156-R162 PolarHBondContact NE2-NH2 3.43Å; F158-R162 PolarHBondContact O-N 2.99Å; A159-R162 PolarHBondContact O-N 2.97Å; V160-R162 VanDerWaalsContact C-N 3.34Å; R162-G165 PolarHBondContact O-N 2.83Å; R162-C166 PolarHBondContact O-N 2.85Å
163F92.7Very high89.2Confident3 Ų357.2 Ų57.21%0.01329%0.285CS..Hα-helixtrans-57.8-54.4177.3-178.1-77000111.8T139 L142 P143 L151 P152 V154 A159 V160 I161 G165 C166 F167T139-F163 HydrophobicContact CG2-CB 4.05Å; T139-F163 HydrophobicContact CG2-CD1 3.22Å; T139-F163 HydrophobicContact CG2-CD2 3.89Å; T139-F163 HydrophobicContact CG2-CE1 3.57Å; T139-F163 HydrophobicContact CG2-CE2 4.18Å; T139-F163 HydrophobicContact CG2-CG 3.43Å; T139-F163 VanDerWaalsContact CG2-CG 3.43Å; T139-F163 HydrophobicContact CG2-CZ 4.04Å; T139-F163 VanDerWaalsContact O-CZ 3.29Å; T139-F163 WeakPolarHBondContact O-CZ 3.32Å; L142-F163 HydrophobicContact CB-CE1 4.22Å; L142-F163 HydrophobicContact CB-CZ 4.11Å; L142-F163 HydrophobicContact CD1-CE1 3.93Å; P143-F163 HydrophobicContact CG-CE2 3.98Å; P143-F163 HydrophobicContact CG-CZ 3.92Å; L151-F163 HydrophobicContact CB-CE2 3.99Å; L151-F163 HydrophobicContact CB-CZ 4.46Å; L151-F163 HydrophobicContact CD1-CZ 4.32Å; L151-F163 HydrophobicContact CD2-CE1 4.4Å; L151-F163 HydrophobicContact CD2-CE2 4.19Å; L151-F163 HydrophobicContact CD2-CZ 4.04Å; P152-F163 HydrophobicContact CG-CB 4.17Å; P152-F163 HydrophobicContact CG-CD2 4.22Å; P152-F163 WeakPolarHBondContact O-CD2 3.27Å; V154-F163 HydrophobicContact CG1-CD2 4.48Å; A159-F163 WeakPolarHBondContact O-CB 3.28Å; A159-F163 PolarHBondContact O-N 3.29Å; V160-F163 WeakPolarHBondContact O-CB 3.44Å; V160-F163 PolarHBondContact O-N 2.99Å; I161-F163 VanDerWaalsContact C-N 3.32Å; I161-F163 PolarHBondContact O-N 3.12Å; F163-G165 VanDerWaalsContact C-N 3.32Å; F163-G165 PolarHBondContact O-N 3.3Å; F163-C166 PolarHBondContact O-N 3.09Å; F163-F167 HydrophobicContact CD1-CB 4.21Å; F163-F167 HydrophobicContact CE1-CB 3.99Å; F163-F167 HydrophobicContact CE1-CD2 4.13Å; F163-F167 HydrophobicContact CE1-CG 4.21Å; F163-F167 HydrophobicContact CZ-CD2 4.5Å; F163-F167 VanDerWaalsContact O-CB 3.26Å; F163-F167 WeakPolarHBondContact O-CB 3.28Å; F163-F167 PolarHBondContact O-N 2.92Å
164Y94.8Very high90Very high60 Ų6054.6 Ų54.624%0.23527%0.269CS..Hα-helixtrans-65.6-37.6-177-80.8-71.1000111.9T139 L142 V160 I161 C166 F167 F168T139-Y164 HydrophobicContact CG2-CE2 3.97Å; T139-Y164 WeakPolarHBondContact OG1-CE2 3.43Å; T139-Y164 PolarHBondContact OG1-OH 2.85Å; T139-Y164 VanDerWaalsContact OG1-OH 3.09Å; L142-Y164 HydrophobicContact CD1-CE1 3.67Å; V160-Y164 HydrophobicContact CG1-CD2 3.7Å; V160-Y164 HydrophobicContact CG1-CE2 3.62Å; V160-Y164 VanDerWaalsContact O-CD2 3.25Å; V160-Y164 WeakPolarHBondContact O-CD2 3.36Å; V160-Y164 PolarHBondContact O-N 2.89Å; I161-Y164 PolarHBondContact O-N 3.12Å; Y164-C166 PolarHBondContact O-N 3.25Å; Y164-F167 PolarHBondContact O-N 2.83Å; Y164-F168 HydrophobicContact CD1-CE2 4.01Å; Y164-F168 HydrophobicContact CD1-CZ 4.39Å; Y164-F168 WeakPolarHBondContact O-CD2 3.48Å; Y164-F168 PolarHBondContact O-N 2.96Å
165G91.4Very high90.8Very high17 Ų1755.7 Ų55.718%0.17527%0.274CS..Hα-helixtrans-57.2-48.5172.300000112.4I161 R162 F163 M169I161-G165 PolarHBondContact O-N 2.91Å; I161-G165 VanDerWaalsContact O-N 3.1Å; R162-G165 PolarHBondContact O-N 2.83Å; F163-G165 VanDerWaalsContact C-N 3.32Å; F163-G165 PolarHBondContact O-N 3.3Å; G165-M169 WeakPolarHBondContact O-CG 3.36Å; G165-M169 PolarHBondContact O-N 2.81Å
166C90.5Very high91.8Very high0 Ų062.5 Ų62.50%029%0.29CS..Hα-helixtrans-68.5-35.3177.3-171.80000112.7F76 C77 P152 R162 F163 Y164 M169 R170F76-C166 HydrophobicContact CB-CB 4.16Å; C77-C166 VanDerWaalsContact CA-SG 3.55Å; C77-C166 HydrophobicContact CB-CB 4.16Å; C77-C166 WeakPolarHBondContact CB-SG 3.48Å; C77-C166 WeakPolarHBondContact SG-CA 3.4Å; C77-C166 WeakPolarHBondContact SG-CB 3.41Å; C77-C166 CovalentContact SG-SG 2.04Å; C77-C166 PolarHBondContact SG-SG 3.14Å; P152-C166 HydrophobicContact CG-CB 4.11Å; R162-C166 PolarHBondContact O-N 2.85Å; F163-C166 PolarHBondContact O-N 3.09Å; Y164-C166 PolarHBondContact O-N 3.25Å; C166-M169 PolarHBondContact O-N 3.16Å; C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.3Å
167F94.2Very high92.5Very high10 Ų1061.3 Ų61.34%0.04429%0.287CS..Hα-helixtrans-62.6-48.1177.9178.3-97000112.2L142 F146 I148 L151 F163 Y164 M169 R170 I171L142-F167 HydrophobicContact CB-CD2 4.44Å; L142-F167 HydrophobicContact CB-CE2 4Å; L142-F167 HydrophobicContact CD1-CE2 4.46Å; L142-F167 HydrophobicContact CD1-CZ 4.45Å; F146-F167 HydrophobicContact CB-CE2 4.49Å; F146-F167 HydrophobicContact CD1-CE2 4.46Å; F146-F167 HydrophobicContact CD1-CZ 4.05Å; F146-F167 HydrophobicContact CD2-CE2 4.13Å; F146-F167 AromaticContact CD2-CZ 3.96Å; F146-F167 HydrophobicContact CD2-CZ 3.96Å; F146-F167 HydrophobicContact CE1-CZ 4.02Å; F146-F167 AromaticContact CE2-CZ 3.94Å; F146-F167 HydrophobicContact CE2-CZ 3.94Å; F146-F167 HydrophobicContact CG-CE2 4.11Å; F146-F167 HydrophobicContact CG-CZ 4.04Å; F146-F167 AromaticContact CZ-CZ 3.97Å; F146-F167 HydrophobicContact CZ-CZ 3.97Å; I148-F167 HydrophobicContact CD1-CD2 4.12Å; I148-F167 HydrophobicContact CD1-CE2 3.78Å; L151-F167 HydrophobicContact CD1-CD2 4.21Å; L151-F167 HydrophobicContact CD2-CB 3.74Å; L151-F167 HydrophobicContact CD2-CD2 4.06Å; L151-F167 HydrophobicContact CD2-CG 4.42Å; F163-F167 HydrophobicContact CD1-CB 4.21Å; F163-F167 HydrophobicContact CE1-CB 3.99Å; F163-F167 HydrophobicContact CE1-CD2 4.13Å; F163-F167 HydrophobicContact CE1-CG 4.21Å; F163-F167 HydrophobicContact CZ-CD2 4.5Å; F163-F167 VanDerWaalsContact O-CB 3.26Å; F163-F167 WeakPolarHBondContact O-CB 3.28Å; F163-F167 PolarHBondContact O-N 2.92Å; Y164-F167 PolarHBondContact O-N 2.83Å; F167-M169 VanDerWaalsContact C-N 3.31Å; F167-M169 PolarHBondContact O-N 2.77Å; F167-R170 CarbonylContact O-C 3.55Å; F167-R170 PolarHBondContact O-N 3.02Å; F167-I171 HydrophobicContact CD1-CD1 4.38Å; F167-I171 HydrophobicContact CE1-CD1 3.65Å; F167-I171 HydrophobicContact CE2-CD1 4.28Å; F167-I171 HydrophobicContact CZ-CD1 3.58Å; F167-I171 PolarHBondContact O-N 3.29Å
168F93.9Very high93Very high135 Ų13559.1 Ų59.159%0.59227%0.273SS*.Hα-helixtrans-67.9-31.4177.2-69.1-60.6000112.4Y164 I171Y164-F168 HydrophobicContact CD1-CE2 4.01Å; Y164-F168 HydrophobicContact CD1-CZ 4.39Å; Y164-F168 WeakPolarHBondContact O-CD2 3.48Å; Y164-F168 PolarHBondContact O-N 2.96Å; F168-I171 VanDerWaalsContact O-CG2 3.23Å; F168-I171 WeakPolarHBondContact O-CG2 3.44Å
169M90.3Very high93.4Very high78 Ų7856 Ų5638%0.38426%0.261SS..Hα-helixtrans-67-36172.2-72179.8175.700112.8E73 F76 G165 C166 F167E73-M169 HydrophobicContact CG-SD 4.1Å; F76-M169 HydrophobicContact CB-SD 4.36Å; F76-M169 HydrophobicContact CD2-CE 3.53Å; F76-M169 HydrophobicContact CD2-SD 4.16Å; F76-M169 HydrophobicContact CE2-CE 3.96Å; F76-M169 HydrophobicContact CG-CE 4.49Å; G165-M169 WeakPolarHBondContact O-CG 3.36Å; G165-M169 PolarHBondContact O-N 2.81Å; C166-M169 PolarHBondContact O-N 3.16Å; F167-M169 VanDerWaalsContact C-N 3.31Å; F167-M169 PolarHBondContact O-N 2.77Å
170R90.1Very high93.9Very high57 Ų5760.8 Ų60.822%0.21529%0.285CS..Hα-helixtrans-964.8-178.2-67.6-177.2176.3-116.1-3.8114.2I148 C166 F167 M172 K173I148-R170 HydrophobicContact CG2-CB 4.09Å; C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.3Å; F167-R170 CarbonylContact O-C 3.55Å; F167-R170 PolarHBondContact O-N 3.02Å; R170-M172 PolarHBondContact O-N 2.85Å; R170-M172 VanDerWaalsContact O-N 3.1Å; R170-K173 WeakPolarHBondContact O-CB 3.36Å; R170-K173 PolarHBondContact O-N 3.38Å
171I93.4Very high94Very high52 Ų5261.6 Ų61.627%0.26729%0.29SS..G310 helixtrans-58.2-31.4-173.1-163.561.6000112.8F146 I148 F167 F168 K173 T174F146-I171 HydrophobicContact CD1-CD1 3.95Å; F146-I171 HydrophobicContact CE1-CD1 3.91Å; I148-I171 HydrophobicContact CD1-CD1 4.33Å; F167-I171 HydrophobicContact CD1-CD1 4.38Å; F167-I171 HydrophobicContact CE1-CD1 3.65Å; F167-I171 HydrophobicContact CE2-CD1 4.28Å; F167-I171 HydrophobicContact CZ-CD1 3.58Å; F167-I171 PolarHBondContact O-N 3.29Å; F168-I171 VanDerWaalsContact O-CG2 3.23Å; F168-I171 WeakPolarHBondContact O-CG2 3.44Å; I171-K173 PolarHBondContact O-N 2.66Å; I171-T174 VanDerWaalsContact O-CB 3.3Å; I171-T174 WeakPolarHBondContact O-CB 3.46Å; I171-T174 PolarHBondContact O-N 3.39Å; I171-T174 PolarHBondContact O-OG1 3.13Å
172M94.4Very high94.3Very high163 Ų16357.7 Ų57.780%0.80327%0.27SS*.G310 helixtrans-70.7-13.7177.7-59.5-60.6-83.100113.5R170 T174R170-M172 PolarHBondContact O-N 2.85Å; R170-M172 VanDerWaalsContact O-N 3.1Å; M172-T174 VanDerWaalsContact C-N 3.28Å
173K92.4Very high94.7Very high147 Ų14757.7 Ų57.764%0.63928%0.281SS*.G310 helixtrans-89.513.1174.7-61.7-171.6176.3-178.70113.1R170 I171R170-K173 WeakPolarHBondContact O-CB 3.36Å; R170-K173 PolarHBondContact O-N 3.38Å; I171-K173 PolarHBondContact O-N 2.66Å
174T95.9Very high95Very high12 Ų1261.6 Ų61.67%0.07431%0.305CS..  trans-62.3136.3177.8-66.50000111.2F146 I148 I171 M172 W176 L179F146-T174 HydrophobicContact CB-CG2 4.11Å; F146-T174 HydrophobicContact CD1-CG2 3.84Å; F146-T174 HydrophobicContact CG-CG2 4.44Å; F146-T174 VanDerWaalsContact O-CG2 3.31Å; F146-T174 WeakPolarHBondContact O-CG2 3.45Å; I148-T174 WeakPolarHBondContact CD1-OG1 3.43Å; I171-T174 VanDerWaalsContact O-CB 3.3Å; I171-T174 WeakPolarHBondContact O-CB 3.46Å; I171-T174 PolarHBondContact O-N 3.39Å; I171-T174 PolarHBondContact O-OG1 3.13Å; M172-T174 VanDerWaalsContact C-N 3.28Å; T174-W176 PolarHBondContact O-N 3.13Å; T174-L179 HydrophobicContact CG2-CB 3.97Å; T174-L179 HydrophobicContact CG2-CD2 3.97Å; T174-L179 HydrophobicContact CG2-CG 4.48Å
175N97Very high95.1Very high32 Ų3258.9 Ų58.917%0.17130%0.295CS..  trans-81.2106.4169.3-177.6-54.9000108.9F146 V177 T178 L179 Y231F146-N175 PolarHBondContact O-N 3.41Å; N175-V177 VanDerWaalsContact C-N 3.31Å; N175-V177 PolarHBondContact O-N 3.23Å; N175-V177 PolarHBondContact OD1-N 3.4Å; N175-T178 WeakPolarHBondContact O-CB 3.35Å; N175-T178 PolarHBondContact O-N 3.38Å; N175-T178 VanDerWaalsContact O-N 3.13Å; N175-T178 PolarHBondContact OD1-N 3.2Å; N175-T178 PolarHBondContact OD1-OG1 2.85Å; N175-L179 PolarHBondContact O-N 3.26Å; N175-Y231 PolarHBondContact ND2-O 3.2Å
176W96.2Very high95.4Very high176 Ų17660.7 Ų60.767%0.66730%0.3SS*.Hα-helixtrans-60.5-37-174.2-63.397.9000113.4T174 L179 I180T174-W176 PolarHBondContact O-N 3.13Å; W176-L179 HydrophobicContact CE3-CD2 4.3Å; W176-L179 HydrophobicContact CZ3-CD2 4.41Å; W176-L179 PolarHBondContact O-N 2.88Å; W176-I180 WeakPolarHBondContact O-CB 3.34Å; W176-I180 VanDerWaalsContact O-CG1 3.23Å; W176-I180 WeakPolarHBondContact O-CG1 3.49Å; W176-I180 PolarHBondContact O-N 3.03Å
177V97.2Very high95.8Very high39 Ų3967.2 Ų67.224%0.23633%0.328CS..Hα-helixtrans-66.2-42.4177.1179.40000110.6N175 I180 T181 L227 Y231 V233N175-V177 VanDerWaalsContact C-N 3.31Å; N175-V177 PolarHBondContact O-N 3.23Å; N175-V177 PolarHBondContact OD1-N 3.4Å; V177-I180 PolarHBondContact O-N 2.98Å; V177-T181 WeakPolarHBondContact O-CB 3.36Å; V177-T181 PolarHBondContact O-N 3.01Å; V177-T181 PolarHBondContact O-OG1 3.45Å; V177-L227 HydrophobicContact CG1-CD2 3.91Å; V177-Y231 HydrophobicContact CB-CD1 4.5Å; V177-Y231 HydrophobicContact CB-CG 4.31Å; V177-Y231 HydrophobicContact CG1-CD2 4.44Å; V177-Y231 HydrophobicContact CG1-CG 4.23Å; V177-Y231 HydrophobicContact CG2-CD1 3.54Å; V177-Y231 HydrophobicContact CG2-CE1 4.06Å; V177-Y231 HydrophobicContact CG2-CG 3.8Å; V177-V233 HydrophobicContact CB-CG2 4.39Å; V177-V233 HydrophobicContact CG1-CG2 4.04Å
178T97.5Very high95.9Very high5 Ų569.2 Ų69.23%0.03134%0.342CS..Hα-helixtrans-61.3-46.2175.2-57.30000111N175 T181 S182 C356N175-T178 WeakPolarHBondContact O-CB 3.35Å; N175-T178 PolarHBondContact O-N 3.38Å; N175-T178 VanDerWaalsContact O-N 3.13Å; N175-T178 PolarHBondContact OD1-N 3.2Å; N175-T178 PolarHBondContact OD1-OG1 2.85Å; T178-T181 PolarHBondContact O-N 3.04Å; T178-S182 WeakPolarHBondContact O-CB 3.4Å; T178-S182 PolarHBondContact O-N 3.44Å; T178-C356 HydrophobicContact CG2-CB 3.52Å
179L97.7Very high96Very high40 Ų4062.8 Ų62.821%0.20931%0.313CS..Hα-helixtrans-60.7-50.1178178.763.4000111.6F146 T174 N175 W176 T181 S182 A183F146-L179 HydrophobicContact CD1-CD1 3.88Å; F146-L179 HydrophobicContact CD1-CD2 4.49Å; F146-L179 HydrophobicContact CD2-CD1 4.38Å; F146-L179 HydrophobicContact CE1-CD1 3.79Å; F146-L179 HydrophobicContact CE1-CD2 4.41Å; F146-L179 HydrophobicContact CE2-CD1 4.3Å; F146-L179 HydrophobicContact CG-CD1 4.17Å; F146-L179 HydrophobicContact CZ-CD1 4Å; T174-L179 HydrophobicContact CG2-CB 3.97Å; T174-L179 HydrophobicContact CG2-CD2 3.97Å; T174-L179 HydrophobicContact CG2-CG 4.48Å; N175-L179 PolarHBondContact O-N 3.26Å; W176-L179 HydrophobicContact CE3-CD2 4.3Å; W176-L179 HydrophobicContact CZ3-CD2 4.41Å; W176-L179 PolarHBondContact O-N 2.88Å; L179-T181 VanDerWaalsContact C-N 3.34Å; L179-T181 PolarHBondContact O-N 3.23Å; L179-S182 PolarHBondContact O-N 2.9Å; L179-S182 PolarHBondContact O-OG 3.35Å; L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.34Å
180I97.5Very high96.2Very high103 Ų10360.9 Ų60.953%0.52831%0.31SS..Hα-helixtrans-59.4-47.2178.5-69.9165.3000110.2W176 V177 S182 A183 V184W176-I180 WeakPolarHBondContact O-CB 3.34Å; W176-I180 VanDerWaalsContact O-CG1 3.23Å; W176-I180 WeakPolarHBondContact O-CG1 3.49Å; W176-I180 PolarHBondContact O-N 3.03Å; V177-I180 PolarHBondContact O-N 2.98Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 3.4Å; I180-A183 PolarHBondContact O-N 3.47Å; I180-V184 HydrophobicContact CG2-CG2 4.26Å; I180-V184 WeakPolarHBondContact O-CB 3.43Å; I180-V184 VanDerWaalsContact O-CG2 3.31Å; I180-V184 WeakPolarHBondContact O-CG2 3.23Å; I180-V184 PolarHBondContact O-N 3.23Å
181T96.6Very high96.4Very high28 Ų2860.4 Ų60.417%0.17231%0.313CS..Hα-helixtrans-59.7-43.3178.9-50.60000111V177 T178 L179 C185 V357V177-T181 WeakPolarHBondContact O-CB 3.36Å; V177-T181 PolarHBondContact O-N 3.01Å; V177-T181 PolarHBondContact O-OG1 3.45Å; T178-T181 PolarHBondContact O-N 3.04Å; L179-T181 VanDerWaalsContact C-N 3.34Å; L179-T181 PolarHBondContact O-N 3.23Å; T181-C185 WeakPolarHBondContact O-CB 3.32Å; T181-C185 PolarHBondContact O-N 2.75Å; T181-V357 HydrophobicContact CG2-CG2 4.36Å
182S97.3Very high96.4Very high4 Ų458.4 Ų58.43%0.02830%0.303CS..Hα-helixtrans-65.4-42.517781.60000112.2A145 T178 L179 I180 C185 I186A145-S182 PolarHBondContact O-OG 3.02Å; A145-S182 VanDerWaalsContact O-OG 3.11Å; T178-S182 WeakPolarHBondContact O-CB 3.4Å; T178-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-N 2.9Å; L179-S182 PolarHBondContact O-OG 3.35Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 3.4Å; S182-C185 PolarHBondContact O-N 3.16Å; S182-I186 WeakPolarHBondContact O-CB 3.39Å; S182-I186 VanDerWaalsContact O-CG1 3.24Å; S182-I186 WeakPolarHBondContact O-CG1 3.31Å; S182-I186 PolarHBondContact O-N 2.93Å
183A98.1Very high96.1Very high51 Ų5154.3 Ų54.342%0.42128%0.281SS..Hα-helixtrans-66-45.7-179.900000111.7L179 I180 C185 I186 F187L179-A183 WeakPolarHBondContact O-CB 3.46Å; L179-A183 PolarHBondContact O-N 3.34Å; I180-A183 PolarHBondContact O-N 3.47Å; A183-C185 VanDerWaalsContact C-N 3.33Å; A183-C185 PolarHBondContact O-N 3.32Å; A183-I186 PolarHBondContact O-N 2.88Å; A183-F187 VanDerWaalsContact O-CB 3.29Å; A183-F187 WeakPolarHBondContact O-CB 3.35Å; A183-F187 PolarHBondContact O-N 3.19Å
184V97.8Very high95.9Very high84 Ų8451.8 Ų51.851%0.50927%0.272SS..Hα-helixtrans-60.8-44.2174.3172.20000110.3I180 F187 T188I180-V184 HydrophobicContact CG2-CG2 4.26Å; I180-V184 WeakPolarHBondContact O-CB 3.43Å; I180-V184 VanDerWaalsContact O-CG2 3.31Å; I180-V184 WeakPolarHBondContact O-CG2 3.23Å; I180-V184 PolarHBondContact O-N 3.23Å; V184-F187 PolarHBondContact O-N 3.28Å; V184-T188 WeakPolarHBondContact O-CB 3.5Å; V184-T188 PolarHBondContact O-N 3Å; V184-T188 PolarHBondContact O-OG1 3.4Å; V184-T188 VanDerWaalsContact O-OG1 3.08Å
185C98Very high95.7Very high3 Ų356.4 Ų56.42%0.0229%0.292CS..Hα-helixtrans-61.8-48.7177.2-178.50000112.2T181 S182 A183 F187 T188 L189 V214 A360T181-C185 WeakPolarHBondContact O-CB 3.32Å; T181-C185 PolarHBondContact O-N 2.75Å; S182-C185 PolarHBondContact O-N 3.16Å; A183-C185 VanDerWaalsContact C-N 3.33Å; A183-C185 PolarHBondContact O-N 3.32Å; C185-F187 VanDerWaalsContact C-N 3.34Å; C185-F187 PolarHBondContact O-N 3.12Å; C185-T188 PolarHBondContact O-N 3.16Å; C185-L189 VanDerWaalsContact O-CB 3.29Å; C185-L189 WeakPolarHBondContact O-CB 3.34Å; C185-L189 VanDerWaalsContact O-CG 3.26Å; C185-L189 WeakPolarHBondContact O-CG 3.46Å; C185-L189 PolarHBondContact O-N 3.09Å; C185-V214 VanDerWaalsContact SG-CG1 3.55Å; C185-A360 HydrophobicContact CB-CB 3.91Å; C185-A360 VanDerWaalsContact SG-CB 3.58Å
186I98Very high95.3Very high55 Ų5558.1 Ų58.128%0.28230%0.301SS..Hα-helixtrans-58.4-48.1176.5-70.2168000110.2S182 A183 L189 A190 A360 L363 V364S182-I186 WeakPolarHBondContact O-CB 3.39Å; S182-I186 VanDerWaalsContact O-CG1 3.24Å; S182-I186 WeakPolarHBondContact O-CG1 3.31Å; S182-I186 PolarHBondContact O-N 2.93Å; A183-I186 PolarHBondContact O-N 2.88Å; I186-L189 PolarHBondContact O-N 3.22Å; I186-A190 WeakPolarHBondContact O-CB 3.43Å; I186-A190 PolarHBondContact O-N 3.42Å; I186-A360 HydrophobicContact CD1-CB 4.35Å; I186-A360 HydrophobicContact CG1-CB 3.59Å; I186-L363 HydrophobicContact CD1-CB 4.48Å; I186-L363 HydrophobicContact CD1-CD1 3.78Å; I186-V364 HydrophobicContact CB-CG2 4.38Å; I186-V364 HydrophobicContact CG1-CG2 4.41Å; I186-V364 HydrophobicContact CG2-CG2 4.09Å
187F97.5Very high94.8Very high138 Ų13851.4 Ų51.461%0.60528%0.282SS*.Hα-helixtrans-60.4-52.8-179.8-179.7-98.2000111.3A183 V184 C185 L189 A190 V191A183-F187 VanDerWaalsContact O-CB 3.29Å; A183-F187 WeakPolarHBondContact O-CB 3.35Å; A183-F187 PolarHBondContact O-N 3.19Å; V184-F187 PolarHBondContact O-N 3.28Å; C185-F187 VanDerWaalsContact C-N 3.34Å; C185-F187 PolarHBondContact O-N 3.12Å; F187-L189 PolarHBondContact O-N 3.05Å; F187-A190 PolarHBondContact O-N 2.88Å; F187-V191 HydrophobicContact CD1-CG2 4.3Å; F187-V191 HydrophobicContact CD2-CG2 3.97Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.69Å; F187-V191 HydrophobicContact CG-CG2 4.27Å; F187-V191 HydrophobicContact CZ-CG2 3.74Å; F187-V191 WeakPolarHBondContact O-CB 3.28Å; F187-V191 VanDerWaalsContact O-CG2 3.28Å; F187-V191 WeakPolarHBondContact O-CG2 3.12Å; F187-V191 PolarHBondContact O-N 3.16Å
188T97Very high94.1Very high52 Ų5252.9 Ų52.932%0.31929%0.293SS..Hα-helixtrans-59.9-46.1179.7-64.20000111.6V184 C185 T192 V214V184-T188 WeakPolarHBondContact O-CB 3.5Å; V184-T188 PolarHBondContact O-N 3Å; V184-T188 PolarHBondContact O-OG1 3.4Å; V184-T188 VanDerWaalsContact O-OG1 3.08Å; C185-T188 PolarHBondContact O-N 3.16Å; T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.44Å; T188-T192 PolarHBondContact O-OG1 2.98Å; T188-V214 HydrophobicContact CG2-CG2 4.13Å
189L95.9Very high93.6Very high0 Ų057.7 Ų57.70%032%0.318CS..Hα-helixtrans-64.3-44.4178.1-72.8175.5000112.1C185 I186 F187 K193 I210 E211 V214 V364C185-L189 VanDerWaalsContact O-CB 3.29Å; C185-L189 WeakPolarHBondContact O-CB 3.34Å; C185-L189 VanDerWaalsContact O-CG 3.26Å; C185-L189 WeakPolarHBondContact O-CG 3.46Å; C185-L189 PolarHBondContact O-N 3.09Å; I186-L189 PolarHBondContact O-N 3.22Å; F187-L189 PolarHBondContact O-N 3.05Å; L189-K193 VanDerWaalsContact O-CB 3.32Å; L189-K193 WeakPolarHBondContact O-CB 3.49Å; L189-K193 VanDerWaalsContact O-CG 3.26Å; L189-K193 WeakPolarHBondContact O-CG 3.08Å; L189-K193 PolarHBondContact O-N 3.27Å; L189-I210 HydrophobicContact CD2-CG1 4.03Å; L189-I210 HydrophobicContact CD2-CG2 4.14Å; L189-E211 HydrophobicContact CD2-CG 4.24Å; L189-V214 HydrophobicContact CD2-CB 4.19Å; L189-V214 HydrophobicContact CD2-CG2 3.84Å; L189-V214 HydrophobicContact CG-CG2 4.31Å; L189-V364 HydrophobicContact CB-CG1 4.26Å; L189-V364 HydrophobicContact CB-CG2 4.01Å; L189-V364 HydrophobicContact CD1-CG2 4.42Å
190A94.4Very high92.9Very high37 Ų3760.8 Ų60.831%0.30633%0.327SS..Hα-helixtrans-67.8-49.3-178.600000111.9I186 F187 K193 Q194I186-A190 WeakPolarHBondContact O-CB 3.43Å; I186-A190 PolarHBondContact O-N 3.42Å; F187-A190 PolarHBondContact O-N 2.88Å; A190-K193 PolarHBondContact O-N 2.97Å; A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.5Å; A190-Q194 PolarHBondContact O-N 3.18Å
191V95.4Very high91.9Very high48 Ų4861.1 Ų61.129%0.29133%0.325SS..Hα-helixtrans-63-45.5179.1172.40000110.5F187 K193 Q194 H195F187-V191 HydrophobicContact CD1-CG2 4.3Å; F187-V191 HydrophobicContact CD2-CG2 3.97Å; F187-V191 HydrophobicContact CE1-CG2 4.05Å; F187-V191 HydrophobicContact CE2-CG2 3.69Å; F187-V191 HydrophobicContact CG-CG2 4.27Å; F187-V191 HydrophobicContact CZ-CG2 3.74Å; F187-V191 WeakPolarHBondContact O-CB 3.28Å; F187-V191 VanDerWaalsContact O-CG2 3.28Å; F187-V191 WeakPolarHBondContact O-CG2 3.12Å; F187-V191 PolarHBondContact O-N 3.16Å; V191-K193 PolarHBondContact O-N 3.46Å; V191-Q194 PolarHBondContact O-N 3.06Å; V191-H195 WeakPolarHBondContact O-CB 3.21Å; V191-H195 PolarHBondContact O-N 3.16Å
192T92.7Very high91.2Very high10 Ų1069.8 Ų69.86%0.06135%0.354CS..Iπ-helixtrans-63.1-45.7-179.9-57.10000111.2T188 Q194 I196 A197 L208 I210T188-T192 WeakPolarHBondContact O-CB 3.4Å; T188-T192 PolarHBondContact O-N 3.44Å; T188-T192 PolarHBondContact O-OG1 2.98Å; T192-Q194 PolarHBondContact O-N 3.33Å; T192-I196 HydrophobicContact CG2-CB 4.05Å; T192-I196 HydrophobicContact CG2-CD1 4.22Å; T192-I196 HydrophobicContact CG2-CG2 4.4Å; T192-I196 CarbonylContact O-C 3.56Å; T192-I196 WeakPolarHBondContact O-CA 3.22Å; T192-I196 WeakPolarHBondContact O-CB 3.25Å; T192-I196 PolarHBondContact O-N 3.25Å; T192-I196 VanDerWaalsContact O-N 3.12Å; T192-A197 WeakPolarHBondContact O-CB 3.33Å; T192-A197 PolarHBondContact O-N 2.96Å; T192-L208 HydrophobicContact CG2-CD2 3.61Å; T192-I210 HydrophobicContact CG2-CB 3.94Å; T192-I210 HydrophobicContact CG2-CD1 3.81Å; T192-I210 HydrophobicContact CG2-CG1 3.62Å; T192-I210 HydrophobicContact CG2-CG2 4.38Å
193K89.1Confident90.5Very high76 Ų7680.5 Ų80.533%0.3339%0.394SS..Iπ-helixtrans-66.9-37.8178.8-74.7179.7173.9-1760113.3L189 A190 V191 I210 E211 V364L189-K193 VanDerWaalsContact O-CB 3.32Å; L189-K193 WeakPolarHBondContact O-CB 3.49Å; L189-K193 VanDerWaalsContact O-CG 3.26Å; L189-K193 WeakPolarHBondContact O-CG 3.08Å; L189-K193 PolarHBondContact O-N 3.27Å; A190-K193 PolarHBondContact O-N 2.97Å; V191-K193 PolarHBondContact O-N 3.46Å; K193-I210 HydrophobicContact CG-CG2 4.05Å; K193-E211 VanDerWaalsContact CE-CD 3.45Å; K193-E211 WeakPolarHBondContact CE-OE1 3.4Å; K193-E211 IonicContact NZ-OE1 3.61Å; K193-E211 PolarHBondContact NZ-OE1 2.81Å; K193-V364 HydrophobicContact CD-CG1 4.2Å
194Q88Confident89.7Confident95 Ų9582.5 Ų82.544%0.44440%0.397SS..Iπ-helixtrans-83.1-40.1-173.7-175.9167.8-39.600113A190 V191 T192A190-Q194 VanDerWaalsContact O-CB 3.23Å; A190-Q194 WeakPolarHBondContact O-CB 3.5Å; A190-Q194 PolarHBondContact O-N 3.18Å; V191-Q194 PolarHBondContact O-N 3.06Å; T192-Q194 PolarHBondContact O-N 3.33Å
195H90.1Very high88.6Confident109 Ų10988.3 Ų88.351%0.50542%0.415SS..Iπ-helixtrans-111.2-41.9-171.7-64.8-78.2000112.9V191 L199V191-H195 WeakPolarHBondContact O-CB 3.21Å; V191-H195 PolarHBondContact O-N 3.16Å; H195-L199 VanDerWaalsContact O-CD1 3.28Å; H195-L199 WeakPolarHBondContact O-CD1 3.36Å; H195-L199 VanDerWaalsContact O-CG 3.28Å; H195-L199 WeakPolarHBondContact O-CG 3.44Å
196I88.7Confident87.5Confident68 Ų6894.8 Ų94.835%0.34944%0.443SS..Iπ-helixtrans-83.6-45-172.7-53.5176.6000111.4T192 L199 W200T192-I196 HydrophobicContact CG2-CB 4.05Å; T192-I196 HydrophobicContact CG2-CD1 4.22Å; T192-I196 HydrophobicContact CG2-CG2 4.4Å; T192-I196 CarbonylContact O-C 3.56Å; T192-I196 WeakPolarHBondContact O-CA 3.22Å; T192-I196 WeakPolarHBondContact O-CB 3.25Å; T192-I196 PolarHBondContact O-N 3.25Å; T192-I196 VanDerWaalsContact O-N 3.12Å; I196-L199 CarbonylContact O-C 3.57Å; I196-L199 WeakPolarHBondContact O-CA 3.34Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 3.32Å; I196-W200 HydrophobicContact CG2-CE3 4.42Å; I196-W200 WeakPolarHBondContact O-CB 3.37Å; I196-W200 PolarHBondContact O-N 3.07Å
197A85.5Confident86.5Confident34 Ų3494.2 Ų94.228%0.28144%0.443SS..Hα-helixtrans-59.6-41.1-175.800000113.6T192 L199 W200 K201T192-A197 WeakPolarHBondContact O-CB 3.33Å; T192-A197 PolarHBondContact O-N 2.96Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.01Å; A197-W200 PolarHBondContact O-N 2.68Å; A197-K201 WeakPolarHBondContact O-CB 3.44Å; A197-K201 PolarHBondContact O-N 3.06Å
198P83.3Confident85.8Confident71 Ų7189.6 Ų89.646%0.46143%0.425SS..Hα-helixtrans-62.6-37.4173.1-23.534.9000113.1
199L87.6Confident85.4Confident106 Ų10689.5 Ų89.556%0.55543%0.425SS*.Hα-helixtrans-70.8-42176.8-62.9172.5000111.2H195 I196 A197 K201 R202H195-L199 VanDerWaalsContact O-CD1 3.28Å; H195-L199 WeakPolarHBondContact O-CD1 3.36Å; H195-L199 VanDerWaalsContact O-CG 3.28Å; H195-L199 WeakPolarHBondContact O-CG 3.44Å; I196-L199 CarbonylContact O-C 3.57Å; I196-L199 WeakPolarHBondContact O-CA 3.34Å; I196-L199 WeakPolarHBondContact O-CB 3.46Å; I196-L199 PolarHBondContact O-N 3.32Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.01Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.47Å; L199-R202 WeakPolarHBondContact O-CB 3.24Å; L199-R202 PolarHBondContact O-N 3.21Å; L199-R202 VanDerWaalsContact O-N 3.13Å
200W82.5Confident85.2Confident104 Ų10490.2 Ų90.239%0.39443%0.429SS..Hα-helixtrans-60.2-43177.3-161.1-88000111.5I196 A197 R202 R203 L204 L208I196-W200 HydrophobicContact CG2-CE3 4.42Å; I196-W200 WeakPolarHBondContact O-CB 3.37Å; I196-W200 PolarHBondContact O-N 3.07Å; A197-W200 PolarHBondContact O-N 2.68Å; W200-R202 PolarHBondContact O-N 2.91Å; W200-R203 PolarHBondContact O-N 3.29Å; W200-L204 HydrophobicContact CZ2-CD1 3.78Å; W200-L204 PolarHBondContact O-N 3.1Å; W200-L208 HydrophobicContact CG-CB 4.38Å; W200-L208 HydrophobicContact CZ2-CD1 4.21Å
201K77.5Confident85Confident111 Ų11191.7 Ų91.748%0.48343%0.429SS..Hα-helixtrans-61.3-24.2177.6-167.6173.7-176.5175.30113.1A197 L199 R203 L204 S323A197-K201 WeakPolarHBondContact O-CB 3.44Å; A197-K201 PolarHBondContact O-N 3.06Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.47Å; K201-R203 VanDerWaalsContact C-N 3.34Å; K201-L204 WeakPolarHBondContact CA-O 3.35Å; K201-S323 PolarHBondContact NZ-O 2.8Å
202R81.2Confident84.8Confident209 Ų20994.5 Ų94.579%0.78944%0.442SS*.Hα-helixtrans-72.7-26.1173.7-67.6-179.5176.5172.3-1.9112.8L199 W200L199-R202 WeakPolarHBondContact O-CB 3.24Å; L199-R202 PolarHBondContact O-N 3.21Å; L199-R202 VanDerWaalsContact O-N 3.13Å; W200-R202 PolarHBondContact O-N 2.91Å
203R83.4Confident84.8Confident230 Ų23097 Ų9787%0.86845%0.454SS*.Hα-helixtrans-96.9-42.9-177.5-68.9-66.8-156-179.65.2112.6W200 K201W200-R203 PolarHBondContact O-N 3.29Å; K201-R203 VanDerWaalsContact C-N 3.34Å
204L79.8Confident85.1Confident92 Ų9293.9 Ų93.948%0.48244%0.441SS..  trans-122.4137.1-176.4-76.6153.2000109.7W200 K201 F206W200-L204 HydrophobicContact CZ2-CD1 3.78Å; W200-L204 PolarHBondContact O-N 3.1Å; K201-L204 WeakPolarHBondContact CA-O 3.35Å; L204-F206 PolarHBondContact O-N 2.98Å
205K74.8Confident85.4Confident206 Ų20690.5 Ų90.590%0.89643%0.427SS*.SBendtrans-72.1-5.4177.3-64.6-174.6-178.8179.20113.5
206F74.9Confident85.7Confident139 Ų13989.6 Ų89.661%0.6143%0.425SS*.SBendtrans-104.8132.3-178.6-177.6-101.3000111.4L204 P209L204-F206 PolarHBondContact O-N 2.98Å; F206-P209 HydrophobicContact CE1-CG 4.33Å
207P77.2Confident86Confident43 Ų4391.2 Ų91.228%0.27943%0.433SS..  trans-68.8141.1178.128.9-34.6000111.5P209P207-P209 VanDerWaalsContact O-CD 3.3Å; P207-P209 WeakPolarHBondContact O-CD 3.48Å
208L83.3Confident86.6Confident42 Ų4290.7 Ų90.722%0.2243%0.427CS..  trans-69118.4176.7-174.670.6000110.3T192 W200 I210 I213T192-L208 HydrophobicContact CG2-CD2 3.61Å; W200-L208 HydrophobicContact CG-CB 4.38Å; W200-L208 HydrophobicContact CZ2-CD1 4.21Å; L208-I210 HydrophobicContact CD2-CB 4.49Å; L208-I210 PolarHBondContact O-N 3.4Å; L208-I213 HydrophobicContact CD1-CD1 3.9Å; L208-I213 HydrophobicContact CG-CD1 4.34Å
209P87.7Confident87.2Confident50 Ų5088.1 Ų88.133%0.32541%0.41SS..  trans-8162.2-178.634.2-34.9000110.8F206 P207 E211 I212 I213F206-P209 HydrophobicContact CE1-CG 4.33Å; P207-P209 VanDerWaalsContact O-CD 3.3Å; P207-P209 WeakPolarHBondContact O-CD 3.48Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.46Å; P209-I212 HydrophobicContact CB-CB 4.5Å; P209-I212 HydrophobicContact CB-CD1 4.35Å; P209-I212 PolarHBondContact O-N 3.18Å; P209-I212 VanDerWaalsContact O-N 3.12Å; P209-I213 HydrophobicContact CG-CD1 4.4Å; P209-I213 WeakPolarHBondContact O-CG1 3.4Å; P209-I213 PolarHBondContact O-N 2.89Å; P209-I213 VanDerWaalsContact O-N 3.15Å
210I91.2Very high87.6Confident15 Ų1587.4 Ų87.48%0.07741%0.406CS..Hα-helixtrans-61.7-35.1-168.9-172.960.9000112.9L189 T192 K193 L208 I212 I213 V214L189-I210 HydrophobicContact CD2-CG1 4.03Å; L189-I210 HydrophobicContact CD2-CG2 4.14Å; T192-I210 HydrophobicContact CG2-CB 3.94Å; T192-I210 HydrophobicContact CG2-CD1 3.81Å; T192-I210 HydrophobicContact CG2-CG1 3.62Å; T192-I210 HydrophobicContact CG2-CG2 4.38Å; K193-I210 HydrophobicContact CG-CG2 4.05Å; L208-I210 HydrophobicContact CD2-CB 4.49Å; L208-I210 PolarHBondContact O-N 3.4Å; I210-I212 VanDerWaalsContact C-N 3.31Å; I210-I212 PolarHBondContact O-N 3.36Å; I210-I213 HydrophobicContact CD1-CB 4.49Å; I210-I213 PolarHBondContact O-N 3.05Å; I210-V214 HydrophobicContact CD1-CG2 3.98Å; I210-V214 HydrophobicContact CG1-CG2 4.09Å; I210-V214 WeakPolarHBondContact O-CB 3.38Å; I210-V214 VanDerWaalsContact O-CG2 3.32Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 3.06Å
211E91.1Very high88.3Confident68 Ų6884.2 Ų84.232%0.31840%0.402SS..Hα-helixtrans-60.3-42.1177.1-63.892.2148.700111.7L189 K193 P209 V215 T361L189-E211 HydrophobicContact CD2-CG 4.24Å; K193-E211 VanDerWaalsContact CE-CD 3.45Å; K193-E211 WeakPolarHBondContact CE-OE1 3.4Å; K193-E211 IonicContact NZ-OE1 3.61Å; K193-E211 PolarHBondContact NZ-OE1 2.81Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.46Å; E211-V215 WeakPolarHBondContact O-CB 3.39Å; E211-V215 WeakPolarHBondContact O-CG2 3.33Å; E211-V215 PolarHBondContact O-N 2.88Å; E211-T361 HydrophobicContact CG-CG2 4.34Å
212I91Very high89.2Confident107 Ų10779 Ų7955%0.54938%0.379SS..Hα-helixtrans-68.7-44.4178.6-62178.3000109.9P209 I210 V214 V215 I216P209-I212 HydrophobicContact CB-CB 4.5Å; P209-I212 HydrophobicContact CB-CD1 4.35Å; P209-I212 PolarHBondContact O-N 3.18Å; P209-I212 VanDerWaalsContact O-N 3.12Å; I210-I212 VanDerWaalsContact C-N 3.31Å; I210-I212 PolarHBondContact O-N 3.36Å; I212-V214 PolarHBondContact O-N 3.31Å; I212-V215 PolarHBondContact O-N 3.25Å; I212-I216 HydrophobicContact CG2-CD1 3.71Å; I212-I216 HydrophobicContact CG2-CG1 4.31Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 2.99Å
213I93.7Very high89.9Confident62 Ų6275.8 Ų75.832%0.31837%0.368SS..Hα-helixtrans-59.4-47.8178.9-64.8168.9000110.6L208 P209 I210 V215 I216 I217L208-I213 HydrophobicContact CD1-CD1 3.9Å; L208-I213 HydrophobicContact CG-CD1 4.34Å; P209-I213 HydrophobicContact CG-CD1 4.4Å; P209-I213 WeakPolarHBondContact O-CG1 3.4Å; P209-I213 PolarHBondContact O-N 2.89Å; P209-I213 VanDerWaalsContact O-N 3.15Å; I210-I213 HydrophobicContact CD1-CB 4.49Å; I210-I213 PolarHBondContact O-N 3.05Å; I213-V215 PolarHBondContact O-N 3.5Å; I213-I216 PolarHBondContact O-N 2.97Å; I213-I217 HydrophobicContact CG2-CD1 3.66Å; I213-I217 HydrophobicContact CG2-CG1 4.39Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 2.89Å
214V95.6Very high90.6Very high11 Ų1171 Ų717%0.06736%0.359CS..Hα-helixtrans-62.9-43.3178170.90000111C185 T188 L189 I210 I212 I216 I217 C218 V357C185-V214 VanDerWaalsContact SG-CG1 3.55Å; T188-V214 HydrophobicContact CG2-CG2 4.13Å; L189-V214 HydrophobicContact CD2-CB 4.19Å; L189-V214 HydrophobicContact CD2-CG2 3.84Å; L189-V214 HydrophobicContact CG-CG2 4.31Å; I210-V214 HydrophobicContact CD1-CG2 3.98Å; I210-V214 HydrophobicContact CG1-CG2 4.09Å; I210-V214 WeakPolarHBondContact O-CB 3.38Å; I210-V214 VanDerWaalsContact O-CG2 3.32Å; I210-V214 WeakPolarHBondContact O-CG2 3.38Å; I210-V214 PolarHBondContact O-N 3.06Å; I212-V214 PolarHBondContact O-N 3.31Å; V214-I216 PolarHBondContact O-N 3.41Å; V214-I217 PolarHBondContact O-N 3.02Å; V214-C218 VanDerWaalsContact O-CB 3.29Å; V214-C218 WeakPolarHBondContact O-CB 3.47Å; V214-C218 PolarHBondContact O-N 3.34Å; V214-C218 PolarHBondContact O-SG 3.09Å; V214-V357 HydrophobicContact CG1-CG1 4.28Å
215V93.9Very high91.3Very high24 Ų2470.7 Ų70.715%0.14536%0.357CS..Hα-helixtrans-58.9-45.8175.31640000111.4E211 I212 I213 T219 L353 V357E211-V215 WeakPolarHBondContact O-CB 3.39Å; E211-V215 WeakPolarHBondContact O-CG2 3.33Å; E211-V215 PolarHBondContact O-N 2.88Å; I212-V215 PolarHBondContact O-N 3.25Å; I213-V215 PolarHBondContact O-N 3.5Å; V215-T219 VanDerWaalsContact O-CB 3.28Å; V215-T219 WeakPolarHBondContact O-CB 3.44Å; V215-T219 PolarHBondContact O-N 3.24Å; V215-T219 PolarHBondContact O-OG1 2.8Å; V215-L353 HydrophobicContact CB-CD1 4.46Å; V215-L353 HydrophobicContact CG1-CD1 4.02Å; V215-L353 HydrophobicContact CG1-CD2 3.96Å; V215-L353 HydrophobicContact CG2-CD1 4.44Å; V215-V357 HydrophobicContact CG2-CG1 4.28Å
216I95Very high92.3Very high89 Ų8964.1 Ų64.146%0.45633%0.332SS..Hα-helixtrans-63.5-51.3179.1-69169000110.7I212 I213 V214 C218 T219 I220I212-I216 HydrophobicContact CG2-CD1 3.71Å; I212-I216 HydrophobicContact CG2-CG1 4.31Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 2.99Å; I213-I216 PolarHBondContact O-N 2.97Å; V214-I216 PolarHBondContact O-N 3.41Å; I216-C218 PolarHBondContact O-N 2.77Å; I216-T219 PolarHBondContact O-N 2.8Å; I216-I220 HydrophobicContact CG2-CD1 3.72Å; I216-I220 HydrophobicContact CG2-CG1 4.45Å; I216-I220 WeakPolarHBondContact O-CG1 3.36Å; I216-I220 PolarHBondContact O-N 3.28Å
217I96.7Very high93.3Very high102 Ų10258.1 Ų58.152%0.52331%0.306SS..Hα-helixtrans-60-47.6-178.7-68.1171000110.7I213 V214 T219 I220 A221I213-I217 HydrophobicContact CG2-CD1 3.66Å; I213-I217 HydrophobicContact CG2-CG1 4.39Å; I213-I217 VanDerWaalsContact O-CG1 3.31Å; I213-I217 WeakPolarHBondContact O-CG1 3.49Å; I213-I217 PolarHBondContact O-N 2.89Å; V214-I217 PolarHBondContact O-N 3.02Å; I217-T219 VanDerWaalsContact C-N 3.29Å; I217-T219 PolarHBondContact O-N 3.32Å; I217-I220 PolarHBondContact O-N 3.08Å; I217-A221 WeakPolarHBondContact O-CB 3.09Å; I217-A221 PolarHBondContact O-N 3.45Å
218C96.6Very high94Very high23 Ų2357.8 Ų57.816%0.15530%0.303CS..Hα-helixtrans-66.3-31.9179.1-69.10000112.5V214 I216 S222 V357V214-C218 VanDerWaalsContact O-CB 3.29Å; V214-C218 WeakPolarHBondContact O-CB 3.47Å; V214-C218 PolarHBondContact O-N 3.34Å; V214-C218 PolarHBondContact O-SG 3.09Å; I216-C218 PolarHBondContact O-N 2.77Å; C218-S222 WeakPolarHBondContact O-CB 3.36Å; C218-S222 PolarHBondContact O-N 2.84Å; C218-V357 HydrophobicContact CB-CG1 4.44Å; C218-V357 HydrophobicContact CB-CG2 3.72Å
219T96Very high94.5Very high17 Ų1758.1 Ų58.110%0.10432%0.317CS..Hα-helixtrans-68.9-45.2175.5-57.50000111.1V215 I216 I217 S222 Y223 F349 L353V215-T219 VanDerWaalsContact O-CB 3.28Å; V215-T219 WeakPolarHBondContact O-CB 3.44Å; V215-T219 PolarHBondContact O-N 3.24Å; V215-T219 PolarHBondContact O-OG1 2.8Å; I216-T219 PolarHBondContact O-N 2.8Å; I217-T219 VanDerWaalsContact C-N 3.29Å; I217-T219 PolarHBondContact O-N 3.32Å; T219-S222 WeakPolarHBondContact O-CB 2.98Å; T219-S222 PolarHBondContact O-N 3.31Å; T219-Y223 PolarHBondContact O-N 3.02Å; T219-F349 VanDerWaalsContact CG2-O 3.27Å; T219-F349 WeakPolarHBondContact CG2-O 3.25Å; T219-L353 WeakPolarHBondContact OG1-CD1 3.14Å
220I97.1Very high94.9Very high92 Ų9260.9 Ų60.947%0.47233%0.329SS..Hα-helixtrans-62.9-47.5176.5-66.6168.9000110.1I216 I217 S222 Y223 L224I216-I220 HydrophobicContact CG2-CD1 3.72Å; I216-I220 HydrophobicContact CG2-CG1 4.45Å; I216-I220 WeakPolarHBondContact O-CG1 3.36Å; I216-I220 PolarHBondContact O-N 3.28Å; I217-I220 PolarHBondContact O-N 3.08Å; I220-S222 VanDerWaalsContact C-N 3.31Å; I220-S222 PolarHBondContact O-N 3.31Å; I220-Y223 PolarHBondContact O-N 3.43Å; I220-L224 HydrophobicContact CG2-CD1 3.73Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CG 3.48Å; I220-L224 PolarHBondContact O-N 2.57Å
221A96.3Very high95.1Very high37 Ų3765.7 Ų65.731%0.30635%0.347SS..Hα-helixtrans-60.2-41.5177.300000111.9I217 Y223 L224 I225I217-A221 WeakPolarHBondContact O-CB 3.09Å; I217-A221 PolarHBondContact O-N 3.45Å; A221-Y223 VanDerWaalsContact C-N 3.33Å; A221-Y223 PolarHBondContact O-N 2.79Å; A221-L224 PolarHBondContact O-N 2.64Å; A221-I225 VanDerWaalsContact O-CB 3.31Å; A221-I225 WeakPolarHBondContact O-CB 3.32Å; A221-I225 WeakPolarHBondContact O-CG1 3.34Å; A221-I225 PolarHBondContact O-N 3.01Å
222S97Very high95.3Very high0 Ų069.9 Ų69.90%037%0.367CS..Hα-helixtrans-61-41.2176.3-175.20000112.7C218 T219 I220 D226 L227 Y352C218-S222 WeakPolarHBondContact O-CB 3.36Å; C218-S222 PolarHBondContact O-N 2.84Å; T219-S222 WeakPolarHBondContact O-CB 2.98Å; T219-S222 PolarHBondContact O-N 3.31Å; I220-S222 VanDerWaalsContact C-N 3.31Å; I220-S222 PolarHBondContact O-N 3.31Å; S222-D226 VanDerWaalsContact O-CA 3.29Å; S222-D226 WeakPolarHBondContact O-CA 3.22Å; S222-D226 PolarHBondContact O-N 2.96Å; S222-D226 VanDerWaalsContact O-N 3.08Å; S222-L227 PolarHBondContact O-N 3.43Å; S222-L227 VanDerWaalsContact O-N 3.14Å; S222-Y352 WeakPolarHBondContact CB-O 3.47Å; S222-Y352 PolarHBondContact OG-O 3.42Å
223Y96Very high95.5Very high143 Ų14364.9 Ų64.956%0.56134%0.341SS*.Hα-helixtrans-69-47.1176.5174.6-106.5000112.5T219 I220 A221 D226 Y352T219-Y223 PolarHBondContact O-N 3.02Å; I220-Y223 PolarHBondContact O-N 3.43Å; A221-Y223 VanDerWaalsContact C-N 3.33Å; A221-Y223 PolarHBondContact O-N 2.79Å; Y223-D226 PolarHBondContact O-N 2.84Å; Y223-Y352 HydrophobicContact CD2-CD1 4.32Å; Y223-Y352 AromaticContact CD2-CD2 3.93Å; Y223-Y352 HydrophobicContact CD2-CD2 3.93Å; Y223-Y352 HydrophobicContact CD2-CE1 4.15Å; Y223-Y352 AromaticContact CD2-CE2 3.75Å; Y223-Y352 HydrophobicContact CD2-CE2 3.75Å; Y223-Y352 HydrophobicContact CD2-CG 4.21Å; Y223-Y352 AromaticContact CD2-CZ 3.87Å; Y223-Y352 HydrophobicContact CE2-CE2 4.2Å
224L97Very high95.5Very high129 Ų12964.8 Ų64.868%0.67534%0.341SS*.Hα-helixtrans-69.5-36-176.7-67.3178.5000113.2I220 A221I220-L224 HydrophobicContact CG2-CD1 3.73Å; I220-L224 HydrophobicContact CG2-CG 4.16Å; I220-L224 WeakPolarHBondContact O-CG 3.48Å; I220-L224 PolarHBondContact O-N 2.57Å; A221-L224 PolarHBondContact O-N 2.64Å
225I95.8Very high95.5Very high85 Ų8566.1 Ų66.144%0.43635%0.348SS..Hα-helixtrans-88.3-13.6-179.5-59.8169.8000111.3A221 L227 N230 Y231A221-I225 VanDerWaalsContact O-CB 3.31Å; A221-I225 WeakPolarHBondContact O-CB 3.32Å; A221-I225 WeakPolarHBondContact O-CG1 3.34Å; A221-I225 PolarHBondContact O-N 3.01Å; I225-L227 HydrophobicContact CB-CD2 4.28Å; I225-L227 HydrophobicContact CB-CG 4.41Å; I225-L227 HydrophobicContact CG2-CD2 3.82Å; I225-L227 HydrophobicContact CG2-CG 4.44Å; I225-N230 PolarHBondContact O-ND2 3.42Å; I225-Y231 HydrophobicContact CG2-CD2 4.46Å; I225-Y231 HydrophobicContact CG2-CE2 3.93Å
226D95.4Very high95.4Very high69 Ų6966.1 Ų66.137%0.36935%0.348SS..THydrogen-bonded Turntrans49.357.6-167-171.926.4000112.1S222 Y223 P228 G229 N230S222-D226 VanDerWaalsContact O-CA 3.29Å; S222-D226 WeakPolarHBondContact O-CA 3.22Å; S222-D226 PolarHBondContact O-N 2.96Å; S222-D226 VanDerWaalsContact O-N 3.08Å; Y223-D226 PolarHBondContact O-N 2.84Å; D226-P228 VanDerWaalsContact C-N 3.33Å; D226-P228 WeakPolarHBondContact OD1-CG 3.38Å; D226-G229 PolarHBondContact O-N 3.05Å; D226-G229 PolarHBondContact OD1-N 3.44Å; D226-N230 WeakPolarHBondContact O-CB 3.32Å; D226-N230 PolarHBondContact O-N 3.16Å
227L95Very high95.1Very high13 Ų1362.9 Ų62.97%0.06834%0.337CS..Hα-helixtrans-51.6-40.4176-69.2-177.7000114.7V177 S222 I225 Y231 Q232 V233 P354V177-L227 HydrophobicContact CG1-CD2 3.91Å; S222-L227 PolarHBondContact O-N 3.43Å; S222-L227 VanDerWaalsContact O-N 3.14Å; I225-L227 HydrophobicContact CB-CD2 4.28Å; I225-L227 HydrophobicContact CB-CG 4.41Å; I225-L227 HydrophobicContact CG2-CD2 3.82Å; I225-L227 HydrophobicContact CG2-CG 4.44Å; L227-Y231 HydrophobicContact CD2-CD2 3.78Å; L227-Y231 HydrophobicContact CD2-CE2 4.35Å; L227-Y231 CarbonylContact O-C 3.42Å; L227-Y231 WeakPolarHBondContact O-CA 3.46Å; L227-Y231 PolarHBondContact O-N 3.45Å; L227-Q232 PolarHBondContact O-N 3.43Å; L227-V233 HydrophobicContact CB-CB 3.98Å; L227-V233 HydrophobicContact CB-CG2 4Å; L227-V233 PolarHBondContact O-N 3.33Å; L227-P354 HydrophobicContact CD1-CG 4.18Å
228P93.5Very high94.7Very high35 Ų3564.2 Ų64.223%0.22734%0.341CS..Hα-helixtrans-67.9-41.4177.724.4-32.3000112.8D226 Q232 I235D226-P228 VanDerWaalsContact C-N 3.33Å; D226-P228 WeakPolarHBondContact OD1-CG 3.38Å; P228-Q232 VanDerWaalsContact O-CA 3.26Å; P228-Q232 WeakPolarHBondContact O-CA 3.47Å; P228-Q232 PolarHBondContact O-N 3.26Å; P228-I235 HydrophobicContact CB-CD1 4.35Å; P228-I235 HydrophobicContact CB-CG1 4.36Å; P228-I235 HydrophobicContact CB-CG2 4.07Å; P228-I235 HydrophobicContact CG-CD1 4.21Å; P228-I235 HydrophobicContact CG-CG2 4.03Å
229G93.7Very high94.2Very high49 Ų4963.3 Ų63.351%0.50533%0.334SS..Hα-helixtrans-71.8-53.2178.500000112.8D226D226-G229 PolarHBondContact O-N 3.05Å; D226-G229 PolarHBondContact OD1-N 3.44Å
230N96.1Very high93.7Very high108 Ų10866.2 Ų66.258%0.57835%0.353SS*.Hα-helixtrans-77-31.8-172-70.3-34.2000113.8I225 D226I225-N230 PolarHBondContact O-ND2 3.42Å; D226-N230 WeakPolarHBondContact O-CB 3.32Å; D226-N230 PolarHBondContact O-N 3.16Å
231Y95.1Very high93.1Very high117 Ų11765.2 Ų65.246%0.45935%0.354SS..Hα-helixtrans-128.78.5-171.7-59.7-73.2000114N175 V177 I225 L227 V233N175-Y231 PolarHBondContact ND2-O 3.2Å; V177-Y231 HydrophobicContact CB-CD1 4.5Å; V177-Y231 HydrophobicContact CB-CG 4.31Å; V177-Y231 HydrophobicContact CG1-CD2 4.44Å; V177-Y231 HydrophobicContact CG1-CG 4.23Å; V177-Y231 HydrophobicContact CG2-CD1 3.54Å; V177-Y231 HydrophobicContact CG2-CE1 4.06Å; V177-Y231 HydrophobicContact CG2-CG 3.8Å; I225-Y231 HydrophobicContact CG2-CD2 4.46Å; I225-Y231 HydrophobicContact CG2-CE2 3.93Å; L227-Y231 HydrophobicContact CD2-CD2 3.78Å; L227-Y231 HydrophobicContact CD2-CE2 4.35Å; L227-Y231 CarbonylContact O-C 3.42Å; L227-Y231 WeakPolarHBondContact O-CA 3.46Å; L227-Y231 PolarHBondContact O-N 3.45Å; Y231-V233 PolarHBondContact O-N 3.03Å; Y231-V233 VanDerWaalsContact O-N 3.12Å
232Q94.2Very high92.6Very high155 Ų15564.3 Ų64.372%0.72435%0.349SS*.  trans54.132.1178.6-55.8179.4-2.300113.4L227 P228 D234L227-Q232 PolarHBondContact O-N 3.43Å; P228-Q232 VanDerWaalsContact O-CA 3.26Å; P228-Q232 WeakPolarHBondContact O-CA 3.47Å; P228-Q232 PolarHBondContact O-N 3.26Å; Q232-D234 PolarHBondContact O-N 3.48Å
233V95.8Very high92.3Very high3 Ų368.1 Ų68.12%0.01837%0.369CS..PPolyproline II helixtrans-73.5125.6176.5178.70000109V177 L227 Y231 I235 P354V177-V233 HydrophobicContact CB-CG2 4.39Å; V177-V233 HydrophobicContact CG1-CG2 4.04Å; L227-V233 HydrophobicContact CB-CB 3.98Å; L227-V233 HydrophobicContact CB-CG2 4Å; L227-V233 PolarHBondContact O-N 3.33Å; Y231-V233 PolarHBondContact O-N 3.03Å; Y231-V233 VanDerWaalsContact O-N 3.12Å; V233-I235 PolarHBondContact O-N 3.42Å; V233-P354 HydrophobicContact CG1-CB 3.86Å; V233-P354 HydrophobicContact CG1-CG 4.38Å
234D94.1Very high92Very high59 Ų5963.3 Ų63.332%0.31635%0.353SS..PPolyproline II helixtrans-69.2119.1179.5-69.6-31.1000110.9K149 Q232 K355K149-D234 VanDerWaalsContact CE-OD1 3.28Å; K149-D234 WeakPolarHBondContact CE-OD1 3.45Å; K149-D234 WeakPolarHBondContact CE-OD2 3.48Å; K149-D234 IonicContact NZ-OD1 2.78Å; K149-D234 PolarHBondContact NZ-OD1 3.41Å; K149-D234 IonicContact NZ-OD2 3.6Å; Q232-D234 PolarHBondContact O-N 3.48Å; D234-K355 HydrophobicContact CB-CD 4.16Å; D234-K355 WeakPolarHBondContact O-CB 3.47Å; D234-K355 PolarHBondContact O-N 2.94Å
235I94.8Very high91.8Very high39 Ų3961.5 Ų61.520%0.235%0.349CS..BIsolated β-bridgetrans-98.8163.7176.758.5165000112.2P228 V233 G237 L353 K355P228-I235 HydrophobicContact CB-CD1 4.35Å; P228-I235 HydrophobicContact CB-CG1 4.36Å; P228-I235 HydrophobicContact CB-CG2 4.07Å; P228-I235 HydrophobicContact CG-CD1 4.21Å; P228-I235 HydrophobicContact CG-CG2 4.03Å; V233-I235 PolarHBondContact O-N 3.42Å; I235-G237 VanDerWaalsContact C-N 3.3Å; I235-G237 PolarHBondContact O-N 3.14Å; I235-L353 CarbonylContact C-O 3.45Å; I235-L353 WeakPolarHBondContact CA-O 3.32Å; I235-K355 WeakPolarHBondContact O-CE 3.38Å
236V92.4Very high91.7Very high24 Ų2461.7 Ų61.715%0.14536%0.356CS..  trans-59.3-39.8177.4170.40000112.1I5 A11 V239 L353 L358I5-V236 HydrophobicContact CD1-CG2 4.49Å; A11-V236 HydrophobicContact CB-CG1 3.68Å; V236-V239 HydrophobicContact CG1-CG2 3.59Å; V236-L353 HydrophobicContact CG2-CB 3.99Å; V236-L353 HydrophobicContact CG2-CD2 4.19Å; V236-L353 HydrophobicContact CG2-CG 4.21Å; V236-L353 WeakPolarHBondContact CG2-O 3.46Å; V236-L353 PolarHBondContact N-O 2.95Å; V236-L358 HydrophobicContact CG2-CD1 3.54Å
237G89.3Confident91.6Very high22 Ų2262.8 Ų62.823%0.22735%0.354CS..  trans86.1-170.7-177.100000112.7I235 V239 K351I235-G237 VanDerWaalsContact C-N 3.3Å; I235-G237 PolarHBondContact O-N 3.14Å; G237-V239 WeakPolarHBondContact O-CG2 3.14Å; G237-V239 PolarHBondContact O-N 3.39Å; G237-K351 PolarHBondContact N-O 2.97Å; G237-K351 VanDerWaalsContact N-O 3.13Å; G237-K351 WeakPolarHBondContact O-CA 3.47Å
238E88Confident91.5Very high130 Ų13068.5 Ų68.561%0.60739%0.385SS*.  trans-61.1127-174.7-160.764.7-138.300111.8K351E238-K351 WeakPolarHBondContact OE2-CD 3.33Å; E238-K351 WeakPolarHBondContact OE2-CE 3.24Å; E238-K351 IonicContact OE2-NZ 3.87Å; E238-K351 PolarHBondContact OE2-NZ 3.14Å
239V86.6Confident91.5Very high4 Ų467.2 Ų67.22%0.02438%0.376CS..  trans-121.6102.8178.7-178.40000107.4I12 V236 G237 A347 V350I12-V239 HydrophobicContact CB-CG1 4.01Å; I12-V239 HydrophobicContact CD1-CG1 4.13Å; I12-V239 HydrophobicContact CG1-CG1 4.43Å; V236-V239 HydrophobicContact CG1-CG2 3.59Å; G237-V239 WeakPolarHBondContact O-CG2 3.14Å; G237-V239 PolarHBondContact O-N 3.39Å; V239-A347 HydrophobicContact CG1-CB 3.87Å; V239-V350 HydrophobicContact CB-CG2 4.42Å; V239-V350 HydrophobicContact CG2-CG2 4.01Å
240P84.2Confident91.4Very high77 Ų7769.2 Ų69.250%0.537%0.368SS..  trans-64.2148.2-178.926.4-32.2000110.4I12I12-P240 HydrophobicContact CD1-CG 4.13Å; I12-P240 WeakPolarHBondContact CD1-O 3.36Å
241S84.8Confident91.2Very high71 Ų7171.9 Ų71.950%0.49737%0.371SS..  trans-88.5159.7171.651.20000111.3
242G86.9Confident91Very high19 Ų1970.8 Ų70.820%0.19637%0.372CS..SBendtrans106.1-177.8173.500000115.1Y16 L343Y16-G242 WeakPolarHBondContact CE1-O 3.49Å; Y16-G242 PolarHBondContact OH-O 3.14Å; Y16-G242 VanDerWaalsContact OH-O 3.08Å; G242-L343 PolarHBondContact N-O 3.49Å; G242-L343 VanDerWaalsContact N-O 3.15Å
243L89.4Confident90.8Very high79 Ų7963.5 Ų63.541%0.41434%0.338SS..PPolyproline II helixtrans-100.4141.7176.5-63.8177.4000110Y16 F19 M340 L343Y16-L243 HydrophobicContact CE1-CD2 4.31Å; F19-L243 HydrophobicContact CE1-CD2 4.49Å; L243-M340 HydrophobicContact CD1-CE 4.02Å; L243-M340 HydrophobicContact CD1-SD 3.98Å; L243-M340 HydrophobicContact CD2-SD 3.87Å; L243-M340 HydrophobicContact CG-SD 4.26Å; L243-L343 HydrophobicContact CD2-CD1 4.26Å
244L90.4Very high90.7Very high43 Ų4364.9 Ų64.923%0.22535%0.345CS..PPolyproline II helixtrans-84.4145.6173.9-68.3173.2000111.1Y13 Y16Y13-L244 HydrophobicContact CE1-CD1 4.21Å; Y16-L244 HydrophobicContact CD2-CD1 4.22Å; Y16-L244 HydrophobicContact CE2-CD1 3.4Å; Y16-L244 VanDerWaalsContact CE2-CD1 3.4Å; Y16-L244 HydrophobicContact CE2-CG 3.86Å; Y16-L244 WeakPolarHBondContact OH-CG 3.5Å
245P92.5Very high90.6Very high90 Ų9066.3 Ų66.358%0.58436%0.36SS*.PPolyproline II helixtrans-64.7156.7170.829.2-35.2000111
246P94.4Very high90.4Very high90 Ų9070.7 Ų70.758%0.58437%0.374SS*.PPolyproline II helixtrans-56.1138.2176.2-25.234.5000112.8F305 F306P246-F305 CarbonylContact C-O 3.35Å; P246-F305 WeakPolarHBondContact CA-O 3.47Å; P246-F306 HydrophobicContact CG-CD1 4.38Å; P246-F306 HydrophobicContact CG-CE1 3.96Å
247R91.5Very high90.4Very high91 Ų9169.5 Ų69.534%0.34337%0.367SS..  trans-121.4139177.4-66.7-174.4-179.5-175.70.6110.7L96 F305L96-R247 HydrophobicContact CD1-CB 4.33Å; R247-F305 PolarHBondContact N-O 2.82Å; R247-F305 WeakPolarHBondContact O-CA 3.4Å; R247-F305 WeakPolarHBondContact O-CD1 3.34Å
248L93.2Very high90.7Very high134 Ų13470.7 Ų70.770%0.70237%0.37SS*.  trans-81.8149.8175.7-67.5174.5000111.2F305L248-F305 HydrophobicContact CD2-CD1 4.3Å; L248-F305 HydrophobicContact CD2-CE1 3.93Å
249P93.1Very high90.8Very high8 Ų868.2 Ų68.25%0.05237%0.365CS..  trans-67.1154.6172.430.3-35.6000111.1T97 F100 W251T97-P249 HydrophobicContact CG2-CB 4.29Å; F100-P249 HydrophobicContact CB-CB 4.12Å; F100-P249 HydrophobicContact CD1-CB 3.9Å; F100-P249 HydrophobicContact CD1-CG 3.75Å; F100-P249 HydrophobicContact CD2-CG 4.22Å; F100-P249 HydrophobicContact CE1-CG 3.94Å; F100-P249 HydrophobicContact CE2-CG 4.4Å; F100-P249 HydrophobicContact CG-CB 3.99Å; F100-P249 HydrophobicContact CG-CG 3.9Å; F100-P249 HydrophobicContact CZ-CG 4.27Å; P249-W251 HydrophobicContact CG-CH2 4.17Å; P249-W251 HydrophobicContact CG-CZ2 3.88Å; P249-W251 PolarHBondContact O-N 3.07Å
250R91.6Very high91Very high90 Ų9069.2 Ų69.234%0.3437%0.37SS..  trans-84.2103.5175.1-83.5-158.8174.9-141.38.6111.1E93 T97 D252 L253E93-R250 HydrophobicContact CB-CG 4.2Å; E93-R250 IonicContact OE1-CZ 3.78Å; E93-R250 IonicContact OE1-NE 2.76Å; E93-R250 PolarHBondContact OE1-NE 3.41Å; E93-R250 VanDerWaalsContact OE1-NE 3.11Å; E93-R250 IonicContact OE1-NH2 3.9Å; E93-R250 PolarHBondContact OE1-NH2 3.45Å; E93-R250 IonicContact OE2-CZ 2.79Å; E93-R250 IonicContact OE2-NE 3.19Å; E93-R250 PolarHBondContact OE2-NE 3.07Å; E93-R250 IonicContact OE2-NH2 3.98Å; E93-R250 PolarHBondContact OE2-NH2 3.2Å; T97-R250 WeakPolarHBondContact CG2-O 3.37Å; T97-R250 PolarHBondContact OG1-N 3.49Å; R250-D252 VanDerWaalsContact C-N 3.27Å; R250-D252 WeakPolarHBondContact CB-OD1 3.32Å; R250-D252 PolarHBondContact O-N 3.33Å; R250-L253 HydrophobicContact CB-CB 4.48Å; R250-L253 HydrophobicContact CB-CD1 3.94Å; R250-L253 HydrophobicContact CB-CG 4.15Å; R250-L253 PolarHBondContact O-N 3.33Å
251W92.4Very high91.6Very high165 Ų16565.6 Ų65.663%0.62535%0.347SS*.G310 helixtrans-62.8-31.2-175.6-58.5102.3000113.7F100 P249 L253 I254F100-W251 HydrophobicContact CE1-CH2 4.11Å; F100-W251 HydrophobicContact CE1-CZ3 4.23Å; F100-W251 HydrophobicContact CZ-CH2 4.17Å; P249-W251 HydrophobicContact CG-CH2 4.17Å; P249-W251 HydrophobicContact CG-CZ2 3.88Å; P249-W251 PolarHBondContact O-N 3.07Å; W251-L253 VanDerWaalsContact C-N 3.25Å; W251-L253 PolarHBondContact O-N 2.89Å; W251-I254 HydrophobicContact CD2-CD1 4.14Å; W251-I254 HydrophobicContact CE3-CD1 3.3Å; W251-I254 HydrophobicContact CZ3-CD1 3.72Å; W251-I254 PolarHBondContact O-N 3.17Å
252D91.6Very high91.9Very high93 Ų9365.1 Ų65.150%0.49734%0.338SS..G310 helixtrans-63.9-27.7177.756.5-56000113.3R250R250-D252 VanDerWaalsContact C-N 3.27Å; R250-D252 WeakPolarHBondContact CB-OD1 3.32Å; R250-D252 PolarHBondContact O-N 3.33Å
253L89.5Confident92.1Very high2 Ų264.9 Ų64.91%0.0133%0.333CS..G310 helixtrans-90.7-17.2-177.3-60178.5000113.6I94 T97 R250 W251 S255 R256 M257I94-L253 HydrophobicContact CG1-CD1 3.77Å; T97-L253 HydrophobicContact CG2-CB 4.48Å; R250-L253 HydrophobicContact CB-CB 4.48Å; R250-L253 HydrophobicContact CB-CD1 3.94Å; R250-L253 HydrophobicContact CB-CG 4.15Å; R250-L253 PolarHBondContact O-N 3.33Å; W251-L253 VanDerWaalsContact C-N 3.25Å; W251-L253 PolarHBondContact O-N 2.89Å; L253-S255 PolarHBondContact O-N 3.23Å; L253-R256 PolarHBondContact O-N 3.37Å; L253-R256 VanDerWaalsContact O-N 3.15Å; L253-M257 HydrophobicContact CB-SD 3.85Å; L253-M257 VanDerWaalsContact O-CG 3.31Å; L253-M257 WeakPolarHBondContact O-CG 3.32Å; L253-M257 PolarHBondContact O-N 3.44Å
254I93.5Very high92.2Very high32 Ų3261.2 Ų61.216%0.16431%0.314CS..Hα-helixtrans-56.1-47.4-169.8-72.7178000112.4T97 L101 W251 R256 M257 V258T97-I254 HydrophobicContact CG2-CG1 3.82Å; L101-I254 HydrophobicContact CD1-CG2 3.88Å; L101-I254 HydrophobicContact CD2-CG2 4.02Å; W251-I254 HydrophobicContact CD2-CD1 4.14Å; W251-I254 HydrophobicContact CE3-CD1 3.3Å; W251-I254 HydrophobicContact CZ3-CD1 3.72Å; W251-I254 PolarHBondContact O-N 3.17Å; I254-R256 PolarHBondContact O-N 3.39Å; I254-M257 PolarHBondContact O-N 3.36Å; I254-V258 PolarHBondContact O-N 2.63Å
255S92.5Very high92.5Very high90 Ų9059.2 Ų59.263%0.62930%0.304SS*.Hα-helixtrans-59.6-32.9-176.2590000112.9L253 M257L253-S255 PolarHBondContact O-N 3.23Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.06Å
256R90.5Very high92.4Very high130 Ų13057 Ų5749%0.49129%0.287SS..Hα-helixtrans-80.9-9.8179.8-57.6-172.1-172.6-170.25.7113.8R52 L53 E56 L253 I254R52-R256 PolarHBondContact NH2-O 3.4Å; R52-R256 VanDerWaalsContact NH2-O 3.09Å; L53-R256 HydrophobicContact CD2-CB 4.2Å; E56-R256 IonicContact OE2-NH1 2.62Å; E56-R256 PolarHBondContact OE2-NH1 3.11Å; L253-R256 PolarHBondContact O-N 3.37Å; L253-R256 VanDerWaalsContact O-N 3.15Å; I254-R256 PolarHBondContact O-N 3.39Å
257M93.2Very high92.1Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-112-5.5-172.7-63.91767500112.9T49 L53 I94 T97 L98 L101 L253 I254 S255 D260 A261T49-M257 HydrophobicContact CG2-CE 3.8Å; T49-M257 HydrophobicContact CG2-CG 4.26Å; L53-M257 HydrophobicContact CD1-CE 4.33Å; L53-M257 HydrophobicContact CD1-CG 3.46Å; L53-M257 VanDerWaalsContact CD1-CG 3.46Å; L53-M257 HydrophobicContact CD1-SD 3.76Å; I94-M257 HydrophobicContact CG2-CE 3.78Å; I94-M257 HydrophobicContact CG2-SD 4.36Å; I94-M257 VanDerWaalsContact O-CE 3.31Å; I94-M257 WeakPolarHBondContact O-CE 3.34Å; T97-M257 HydrophobicContact CG2-SD 3.97Å; L98-M257 VanDerWaalsContact CA-CE 3.46Å; L98-M257 HydrophobicContact CB-CE 3.34Å; L98-M257 HydrophobicContact CD1-CE 3.94Å; L98-M257 HydrophobicContact CG-CE 4.15Å; L101-M257 HydrophobicContact CD2-CB 3.9Å; L253-M257 HydrophobicContact CB-SD 3.85Å; L253-M257 VanDerWaalsContact O-CG 3.31Å; L253-M257 WeakPolarHBondContact O-CG 3.32Å; L253-M257 PolarHBondContact O-N 3.44Å; I254-M257 PolarHBondContact O-N 3.36Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.06Å; M257-D260 PolarHBondContact O-N 3.17Å; M257-A261 WeakPolarHBondContact O-CB 3.39Å; M257-A261 PolarHBondContact O-N 2.98Å
258V94.1Very high92.3Very high47 Ų4748.6 Ų48.629%0.28524%0.244SC..Hα-helixtrans-52.7-50.1-179.8167.40000112.7L101 F105 I254 D260 A261 I262L101-V258 HydrophobicContact CD2-CG2 4.14Å; F105-V258 HydrophobicContact CE2-CB 4.32Å; F105-V258 HydrophobicContact CE2-CG1 3.96Å; F105-V258 HydrophobicContact CE2-CG2 4.19Å; F105-V258 HydrophobicContact CZ-CB 4.33Å; F105-V258 HydrophobicContact CZ-CG1 3.6Å; F105-V258 HydrophobicContact CZ-CG2 4.15Å; I254-V258 PolarHBondContact O-N 2.63Å; V258-D260 PolarHBondContact O-N 3.42Å; V258-A261 PolarHBondContact O-N 3.49Å; V258-I262 HydrophobicContact CG1-CD1 3.87Å; V258-I262 WeakPolarHBondContact O-CG1 3.18Å; V258-I262 PolarHBondContact O-N 3.2Å
259P91Very high92.2Very high77 Ų7742.2 Ų42.250%0.521%0.211SC..Hα-helixtrans-62.9-43.2-179.6-21.834.3000112.3A261 I262 S263P259-A261 PolarHBondContact O-N 3.42Å; P259-I262 PolarHBondContact O-N 3.08Å; P259-S263 PolarHBondContact O-N 2.85Å; P259-S263 PolarHBondContact O-OG 3.32Å
260D91.1Very high92.1Very high26 Ų2642 Ų4214%0.13921%0.209CC..Hα-helixtrans-63.9-42.6179.4-64.7-24.1000111T49 R52 L98 M257 V258 I262 S263 V264T49-D260 HydrophobicContact CG2-CB 4.32Å; T49-D260 VanDerWaalsContact CG2-OD2 3.3Å; T49-D260 WeakPolarHBondContact CG2-OD2 3.35Å; T49-D260 WeakPolarHBondContact OG1-CB 3.27Å; T49-D260 PolarHBondContact OG1-OD2 3.49Å; R52-D260 IonicContact CZ-OD2 2.87Å; R52-D260 IonicContact NE-OD2 3.11Å; R52-D260 IonicContact NH2-OD2 2.81Å; R52-D260 PolarHBondContact NH2-OD2 2.96Å; L98-D260 HydrophobicContact CD1-CB 4.09Å; M257-D260 PolarHBondContact O-N 3.17Å; V258-D260 PolarHBondContact O-N 3.42Å; D260-I262 PolarHBondContact O-N 3.24Å; D260-S263 PolarHBondContact O-N 3.48Å; D260-V264 WeakPolarHBondContact O-CB 3.37Å; D260-V264 WeakPolarHBondContact O-CG2 3.3Å; D260-V264 PolarHBondContact O-N 3.01Å
261A95.7Very high92Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-63.3-41178.500000112.7L98 L101 M102 F105 M257 V258 P259 G265L98-A261 HydrophobicContact CD1-CB 4.07Å; L101-A261 HydrophobicContact CB-CB 3.96Å; L101-A261 HydrophobicContact CD2-CB 3.74Å; L101-A261 HydrophobicContact CG-CB 3.58Å; M102-A261 HydrophobicContact CB-CB 4.49Å; F105-A261 HydrophobicContact CD2-CB 3.92Å; F105-A261 HydrophobicContact CE2-CB 4.25Å; M257-A261 WeakPolarHBondContact O-CB 3.39Å; M257-A261 PolarHBondContact O-N 2.98Å; V258-A261 PolarHBondContact O-N 3.49Å; P259-A261 PolarHBondContact O-N 3.42Å; A261-G265 WeakPolarHBondContact O-CA 3.33Å; A261-G265 PolarHBondContact O-N 3.46Å
262I92.5Very high92.1Very high61 Ų6130.4 Ų30.431%0.31317%0.166SC..Hα-helixtrans-64.4-49.1175.2-67.2168.1000110F105 V258 P259 D260 G265 I266F105-I262 HydrophobicContact CD1-CD1 4.32Å; F105-I262 HydrophobicContact CD1-CG1 3.89Å; F105-I262 HydrophobicContact CD2-CG1 3.93Å; F105-I262 HydrophobicContact CE1-CD1 4.04Å; F105-I262 HydrophobicContact CE1-CG1 4.05Å; F105-I262 HydrophobicContact CE2-CG1 4.08Å; F105-I262 HydrophobicContact CG-CG1 3.85Å; F105-I262 HydrophobicContact CZ-CD1 4.15Å; F105-I262 HydrophobicContact CZ-CG1 4.15Å; V258-I262 HydrophobicContact CG1-CD1 3.87Å; V258-I262 WeakPolarHBondContact O-CG1 3.18Å; V258-I262 PolarHBondContact O-N 3.2Å; P259-I262 PolarHBondContact O-N 3.08Å; D260-I262 PolarHBondContact O-N 3.24Å; I262-G265 PolarHBondContact O-N 3.34Å; I262-I266 HydrophobicContact CG2-CD1 3.75Å; I262-I266 HydrophobicContact CG2-CG1 4.45Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3Å
263S90Very high92.1Very high14 Ų1426.1 Ų26.110%0.09814%0.143CC..Hα-helixtrans-59.7-50.9179.3-69.50000112P259 D260 G265 I266 V267 S403P259-S263 PolarHBondContact O-N 2.85Å; P259-S263 PolarHBondContact O-OG 3.32Å; D260-S263 PolarHBondContact O-N 3.48Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 2.93Å; S263-I266 PolarHBondContact O-N 2.83Å; S263-V267 WeakPolarHBondContact O-CG2 3.35Å; S263-V267 PolarHBondContact O-N 3Å; S263-S403 PolarHBondContact OG-OG 3.23Å; S263-S403 VanDerWaalsContact OG-OG 3.08Å
264V93Very high92.1Very high2 Ų227.2 Ų27.21%0.01215%0.151CC..Hα-helixtrans-61.2-42177-179.30000110.6V42 M45 M102 D260 V267 A268 P310V42-V264 HydrophobicContact CB-CG1 4.33Å; V42-V264 HydrophobicContact CG1-CG1 4.25Å; M45-V264 HydrophobicContact CB-CG2 3.73Å; M45-V264 VanDerWaalsContact CE-CA 3.43Å; M45-V264 HydrophobicContact CE-CB 4.06Å; M45-V264 HydrophobicContact CE-CG2 3.6Å; M45-V264 HydrophobicContact SD-CB 4.47Å; M45-V264 HydrophobicContact SD-CG2 4.12Å; M102-V264 HydrophobicContact CE-CG1 4.14Å; M102-V264 HydrophobicContact CG-CG1 4.34Å; M102-V264 HydrophobicContact SD-CB 4.43Å; M102-V264 HydrophobicContact SD-CG1 3.61Å; D260-V264 WeakPolarHBondContact O-CB 3.37Å; D260-V264 WeakPolarHBondContact O-CG2 3.3Å; D260-V264 PolarHBondContact O-N 3.01Å; V264-V267 PolarHBondContact O-N 3.46Å; V264-A268 VanDerWaalsContact O-CB 3.23Å; V264-A268 WeakPolarHBondContact O-CB 3.33Å; V264-A268 PolarHBondContact O-N 3.25Å; V264-P310 HydrophobicContact CG1-CB 4.17Å
265G94.8Very high91.9Very high2 Ų226.5 Ų26.52%0.02115%0.148CC..Hα-helixtrans-61-46.3179.700000113.1Q106 A261 I262 S263 Y269Q106-G265 PolarHBondContact NE2-O 2.82Å; A261-G265 WeakPolarHBondContact O-CA 3.33Å; A261-G265 PolarHBondContact O-N 3.46Å; I262-G265 PolarHBondContact O-N 3.34Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 2.93Å; G265-Y269 WeakPolarHBondContact O-CB 3.4Å; G265-Y269 PolarHBondContact O-N 3.01Å
266I90.7Very high92Very high42 Ų4222.2 Ų22.222%0.21512%0.118CC..Hα-helixtrans-66.1-46.5177.7-68169.4000110.7L109 I262 S263 Y269 S270 W293 L406L109-I266 HydrophobicContact CD1-CG1 4.48Å; I262-I266 HydrophobicContact CG2-CD1 3.75Å; I262-I266 HydrophobicContact CG2-CG1 4.45Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3Å; S263-I266 PolarHBondContact O-N 2.83Å; I266-Y269 PolarHBondContact O-N 3Å; I266-S270 WeakPolarHBondContact O-CB 3.45Å; I266-S270 PolarHBondContact O-N 3.34Å; I266-S270 PolarHBondContact O-OG 2.87Å; I266-W293 HydrophobicContact CG1-CH2 4.23Å; I266-L406 HydrophobicContact CB-CD2 4.34Å; I266-L406 HydrophobicContact CG2-CD2 4.14Å
267V89.5Confident92Very high5 Ų520 Ų203%0.0311%0.111CC..Hα-helixtrans-62.3-46.2178.8173.50000111.2V41 M45 S263 V264 Y269 S270 I271 M402 L406V41-V267 HydrophobicContact CG1-CG1 3.96Å; M45-V267 HydrophobicContact CE-CB 4.27Å; M45-V267 HydrophobicContact CE-CG2 4.01Å; M45-V267 HydrophobicContact SD-CB 4.08Å; M45-V267 HydrophobicContact SD-CG1 4.05Å; M45-V267 HydrophobicContact SD-CG2 4.3Å; S263-V267 WeakPolarHBondContact O-CG2 3.35Å; S263-V267 PolarHBondContact O-N 3Å; V264-V267 PolarHBondContact O-N 3.46Å; V267-Y269 PolarHBondContact O-N 3.37Å; V267-S270 WeakPolarHBondContact O-CB 3.41Å; V267-S270 PolarHBondContact O-N 2.98Å; V267-I271 HydrophobicContact CG1-CD1 3.88Å; V267-I271 WeakPolarHBondContact O-CG1 3.06Å; V267-I271 PolarHBondContact O-N 2.62Å; V267-M402 HydrophobicContact CG1-SD 4.36Å; V267-M402 HydrophobicContact CG2-CG 4.43Å; V267-M402 HydrophobicContact CG2-SD 4.07Å; V267-L406 HydrophobicContact CG2-CD1 4.16Å; V267-L406 HydrophobicContact CG2-CD2 3.74Å; V267-L406 HydrophobicContact CG2-CG 4.41Å
268A93.8Very high91.8Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-60.9-44.4178.200000111.7V42 M102 V264 C272 C312V42-A268 HydrophobicContact CG1-CB 3.89Å; M102-A268 HydrophobicContact CE-CB 3.31Å; V264-A268 VanDerWaalsContact O-CB 3.23Å; V264-A268 WeakPolarHBondContact O-CB 3.33Å; V264-A268 PolarHBondContact O-N 3.25Å; A268-C272 WeakPolarHBondContact O-CB 3.43Å; A268-C272 PolarHBondContact O-N 2.88Å; A268-C312 HydrophobicContact CB-CB 4.29Å
269Y93.1Very high91.8Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-61.9-44.2174.4172.4-97.9000111.7L121 G265 I266 V267 I271 C272 I273 P289 E292 W293 L296L121-Y269 HydrophobicContact CD1-CD1 4.33Å; L121-Y269 HydrophobicContact CD1-CE1 4.42Å; G265-Y269 WeakPolarHBondContact O-CB 3.4Å; G265-Y269 PolarHBondContact O-N 3.01Å; I266-Y269 PolarHBondContact O-N 3Å; V267-Y269 PolarHBondContact O-N 3.37Å; Y269-I271 PolarHBondContact O-N 3.44Å; Y269-C272 WeakPolarHBondContact O-CB 3.35Å; Y269-C272 PolarHBondContact O-N 3.26Å; Y269-I273 HydrophobicContact CD1-CG2 4.29Å; Y269-I273 HydrophobicContact CE1-CB 4.31Å; Y269-I273 HydrophobicContact CE1-CG2 3.98Å; Y269-I273 HydrophobicContact CE2-CB 4.34Å; Y269-I273 WeakPolarHBondContact O-CB 3.45Å; Y269-I273 WeakPolarHBondContact O-CG2 3.21Å; Y269-I273 PolarHBondContact O-N 2.99Å; Y269-P289 PolarHBondContact OH-O 3.48Å; Y269-E292 HydrophobicContact CD2-CB 4.43Å; Y269-E292 HydrophobicContact CE2-CB 3.95Å; Y269-W293 HydrophobicContact CD1-CD2 4.12Å; Y269-W293 AromaticContact CD1-CE2 3.53Å; Y269-W293 HydrophobicContact CD1-CE3 4.37Å; Y269-W293 AromaticContact CD1-CH2 3.52Å; Y269-W293 HydrophobicContact CD1-CH2 3.52Å; Y269-W293 AromaticContact CD1-CZ2 3.21Å; Y269-W293 HydrophobicContact CD1-CZ2 3.21Å; Y269-W293 HydrophobicContact CD1-CZ3 4.1Å; Y269-W293 AromaticContact CD2-CD2 3.4Å; Y269-W293 HydrophobicContact CD2-CD2 3.4Å; Y269-W293 AromaticContact CD2-CE2 3.66Å; Y269-W293 AromaticContact CD2-CE3 3.62Å; Y269-W293 HydrophobicContact CD2-CE3 3.62Å; Y269-W293 AromaticContact CD2-CG 3.82Å; Y269-W293 HydrophobicContact CD2-CG 3.82Å; Y269-W293 HydrophobicContact CD2-CH2 4.27Å; Y269-W293 HydrophobicContact CD2-CZ2 4.1Å; Y269-W293 HydrophobicContact CD2-CZ3 4.05Å; Y269-W293 HydrophobicContact CE1-CD2 4.27Å; Y269-W293 AromaticContact CE1-CE2 3.48Å; Y269-W293 VanDerWaalsContact CE1-CE2 3.48Å; Y269-W293 HydrophobicContact CE1-CH2 4.27Å; Y269-W293 AromaticContact CE1-CZ2 3.49Å; Y269-W293 HydrophobicContact CE1-CZ2 3.49Å; Y269-W293 VanDerWaalsContact CE1-CZ2 3.49Å; Y269-W293 AromaticContact CE1-NE1 3.61Å; Y269-W293 HydrophobicContact CE2-CB 4.35Å; Y269-W293 AromaticContact CE2-CD1 3.62Å; Y269-W293 AromaticContact CE2-CD2 3.59Å; Y269-W293 HydrophobicContact CE2-CD2 3.59Å; Y269-W293 AromaticContact CE2-CE2 3.63Å; Y269-W293 HydrophobicContact CE2-CE3 4.29Å; Y269-W293 AromaticContact CE2-CG 3.58Å; Y269-W293 HydrophobicContact CE2-CG 3.58Å; Y269-W293 HydrophobicContact CE2-CZ2 4.34Å; Y269-W293 AromaticContact CE2-NE1 3.63Å; Y269-W293 AromaticContact CG-CD2 3.68Å; Y269-W293 HydrophobicContact CG-CD2 3.68Å; Y269-W293 AromaticContact CG-CE2 3.6Å; Y269-W293 AromaticContact CG-CE3 3.66Å; Y269-W293 HydrophobicContact CG-CE3 3.66Å; Y269-W293 AromaticContact CG-CH2 3.5Å; Y269-W293 HydrophobicContact CG-CH2 3.5Å; Y269-W293 VanDerWaalsContact CG-CH2 3.5Å; Y269-W293 AromaticContact CG-CZ2 3.53Å; Y269-W293 HydrophobicContact CG-CZ2 3.53Å; Y269-W293 AromaticContact CG-CZ3 3.57Å; Y269-W293 HydrophobicContact CG-CZ3 3.57Å; Y269-W293 AromaticContact CZ-CD1 3.7Å; Y269-W293 AromaticContact CZ-CE2 3.53Å; Y269-W293 AromaticContact CZ-NE1 3.32Å; Y269-W293 VanDerWaalsContact CZ-NE1 3.32Å; Y269-L296 HydrophobicContact CD2-CD1 4.28Å
270S89.9Confident91.9Very high3 Ų319.6 Ų19.62%0.02110%0.104CC..Hα-helixtrans-58.6-48.6-179.4-56.20000111.4L121 I266 V267 C272 I273 S274L121-S270 WeakPolarHBondContact CD1-OG 3.14Å; L121-S270 WeakPolarHBondContact CD2-OG 3.21Å; I266-S270 WeakPolarHBondContact O-CB 3.45Å; I266-S270 PolarHBondContact O-N 3.34Å; I266-S270 PolarHBondContact O-OG 2.87Å; V267-S270 WeakPolarHBondContact O-CB 3.41Å; V267-S270 PolarHBondContact O-N 2.98Å; S270-C272 VanDerWaalsContact C-N 3.34Å; S270-C272 PolarHBondContact O-N 3.29Å; S270-I273 WeakPolarHBondContact O-CG2 3.41Å; S270-S274 WeakPolarHBondContact O-CB 3.33Å; S270-S274 PolarHBondContact O-N 3.46Å; S270-S274 VanDerWaalsContact O-N 3.09Å; S270-S274 PolarHBondContact O-OG 2.82Å; S270-S274 VanDerWaalsContact O-OG 3.06Å
271I89.9Confident92Very high13 Ų1326.7 Ų26.77%0.06713%0.133CC..Hα-helixtrans-65-42.3177.8-64.8172.3000110.4F39 V41 T130 V267 Y269 L275F39-I271 HydrophobicContact CE1-CD1 3.93Å; F39-I271 HydrophobicContact CE1-CG2 4.39Å; V41-I271 HydrophobicContact CB-CD1 4.32Å; V41-I271 HydrophobicContact CG1-CD1 4.22Å; V41-I271 HydrophobicContact CG2-CD1 4.47Å; T130-I271 HydrophobicContact CG2-CD1 3.94Å; T130-I271 HydrophobicContact CG2-CG1 3.98Å; V267-I271 HydrophobicContact CG1-CD1 3.88Å; V267-I271 WeakPolarHBondContact O-CG1 3.06Å; V267-I271 PolarHBondContact O-N 2.62Å; Y269-I271 PolarHBondContact O-N 3.44Å; I271-L275 HydrophobicContact CG2-CD1 4.07Å; I271-L275 WeakPolarHBondContact O-CB 3.46Å; I271-L275 VanDerWaalsContact O-CG 3.27Å; I271-L275 WeakPolarHBondContact O-CG 3.18Å; I271-L275 PolarHBondContact O-N 2.92Å; I271-L275 VanDerWaalsContact O-N 3.11Å
272C93.4Very high91.9Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-61.9-51.4178.7-169.80000112.3I34 A268 Y269 S270 S274 L275 A276 L296 A313I34-C272 WeakPolarHBondContact CD1-SG 3.24Å; A268-C272 WeakPolarHBondContact O-CB 3.43Å; A268-C272 PolarHBondContact O-N 2.88Å; Y269-C272 WeakPolarHBondContact O-CB 3.35Å; Y269-C272 PolarHBondContact O-N 3.26Å; S270-C272 VanDerWaalsContact C-N 3.34Å; S270-C272 PolarHBondContact O-N 3.29Å; C272-S274 PolarHBondContact O-N 3.49Å; C272-L275 PolarHBondContact O-N 3.47Å; C272-A276 WeakPolarHBondContact O-CB 3.41Å; C272-A276 PolarHBondContact O-N 3.22Å; C272-L296 HydrophobicContact CB-CD1 3.52Å; C272-L296 HydrophobicContact CB-CD2 4.34Å; C272-L296 HydrophobicContact CB-CG 4.39Å; C272-A313 HydrophobicContact CB-CB 4.2Å
273I92.1Very high91.9Very high2 Ų232.2 Ų32.21%0.0116%0.155CC..Hα-helixtrans-67-37.6-176.3-166.867.2000111.5Y269 S270 A276 K277 L287 P289 E292Y269-I273 HydrophobicContact CD1-CG2 4.29Å; Y269-I273 HydrophobicContact CE1-CB 4.31Å; Y269-I273 HydrophobicContact CE1-CG2 3.98Å; Y269-I273 HydrophobicContact CE2-CB 4.34Å; Y269-I273 WeakPolarHBondContact O-CB 3.45Å; Y269-I273 WeakPolarHBondContact O-CG2 3.21Å; Y269-I273 PolarHBondContact O-N 2.99Å; S270-I273 WeakPolarHBondContact O-CG2 3.41Å; I273-A276 PolarHBondContact O-N 3.09Å; I273-K277 HydrophobicContact CG1-CD 4.24Å; I273-K277 HydrophobicContact CG1-CG 4.37Å; I273-K277 VanDerWaalsContact O-CB 3.32Å; I273-K277 WeakPolarHBondContact O-CB 3.41Å; I273-K277 VanDerWaalsContact O-CG 3.25Å; I273-K277 WeakPolarHBondContact O-CG 3.42Å; I273-K277 PolarHBondContact O-N 3.04Å; I273-L287 HydrophobicContact CD1-CD2 3.6Å; I273-L287 HydrophobicContact CD1-CG 4.41Å; I273-P289 HydrophobicContact CD1-CB 3.77Å; I273-P289 HydrophobicContact CD1-CG 4.18Å; I273-P289 HydrophobicContact CG1-CB 4.37Å; I273-E292 HydrophobicContact CD1-CB 4.23Å; I273-E292 HydrophobicContact CD1-CG 3.95Å
274S89.1Confident92.1Very high26 Ų2638.8 Ų38.818%0.18219%0.19CC..Hα-helixtrans-64-43.4175.3-64.90000111.7S270 C272 L278S270-S274 WeakPolarHBondContact O-CB 3.33Å; S270-S274 PolarHBondContact O-N 3.46Å; S270-S274 VanDerWaalsContact O-N 3.09Å; S270-S274 PolarHBondContact O-OG 2.82Å; S270-S274 VanDerWaalsContact O-OG 3.06Å; C272-S274 PolarHBondContact O-N 3.49Å; S274-L278 WeakPolarHBondContact O-CB 3.3Å; S274-L278 PolarHBondContact O-N 3.48Å
275L90.4Very high92.1Very high17 Ų1740.2 Ų40.29%0.08920%0.195CC..Hα-helixtrans-66.6-44.9175-69.5177000111.7I34 I271 C272 K277 L278 F279 A313 L315I34-L275 HydrophobicContact CG2-CB 4.24Å; I271-L275 HydrophobicContact CG2-CD1 4.07Å; I271-L275 WeakPolarHBondContact O-CB 3.46Å; I271-L275 VanDerWaalsContact O-CG 3.27Å; I271-L275 WeakPolarHBondContact O-CG 3.18Å; I271-L275 PolarHBondContact O-N 2.92Å; I271-L275 VanDerWaalsContact O-N 3.11Å; C272-L275 PolarHBondContact O-N 3.47Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 2.89Å; L275-L278 WeakPolarHBondContact O-CB 3.32Å; L275-L278 PolarHBondContact O-N 2.78Å; L275-F279 WeakPolarHBondContact O-CD2 3.24Å; L275-F279 PolarHBondContact O-N 3.49Å; L275-A313 HydrophobicContact CD1-CB 3.94Å; L275-L315 HydrophobicContact CD1-CB 4.24Å; L275-L315 HydrophobicContact CD2-CB 3.84Å; L275-L315 HydrophobicContact CD2-CD1 3.51Å; L275-L315 HydrophobicContact CD2-CG 4.15Å
276A93.3Very high92Very high0 Ų050.4 Ų50.40%023%0.233CC..Hα-helixtrans-59.8-45.1178.500000111.3I34 C272 I273 L278 F279 A280 L287I34-A276 HydrophobicContact CD1-CB 4.4Å; I34-A276 HydrophobicContact CG2-CB 4.14Å; C272-A276 WeakPolarHBondContact O-CB 3.41Å; C272-A276 PolarHBondContact O-N 3.22Å; I273-A276 PolarHBondContact O-N 3.09Å; A276-L278 PolarHBondContact O-N 3.34Å; A276-F279 PolarHBondContact O-N 3.19Å; A276-A280 WeakPolarHBondContact O-CB 3.43Å; A276-A280 PolarHBondContact O-N 2.98Å; A276-L287 HydrophobicContact CB-CD1 3.71Å; A276-L287 HydrophobicContact CB-CD2 3.62Å; A276-L287 HydrophobicContact CB-CG 4.32Å
277K91.3Very high92Very high82 Ų8249.5 Ų49.536%0.35723%0.229SC..Hα-helixtrans-60.1-42.8174.8-76.4175.7179174.90111.8S118 I273 L275 A280 K281 L287S118-K277 PolarHBondContact O-NZ 3.32Å; S118-K277 PolarHBondContact OG-NZ 2.88Å; I273-K277 HydrophobicContact CG1-CD 4.24Å; I273-K277 HydrophobicContact CG1-CG 4.37Å; I273-K277 VanDerWaalsContact O-CB 3.32Å; I273-K277 WeakPolarHBondContact O-CB 3.41Å; I273-K277 VanDerWaalsContact O-CG 3.25Å; I273-K277 WeakPolarHBondContact O-CG 3.42Å; I273-K277 PolarHBondContact O-N 3.04Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 2.89Å; K277-A280 PolarHBondContact O-N 3.44Å; K277-K281 WeakPolarHBondContact O-CB 3.45Å; K277-K281 PolarHBondContact O-N 3.09Å; K277-L287 HydrophobicContact CB-CD2 4.32Å; K277-L287 HydrophobicContact CG-CD2 3.62Å
278L89.6Confident92.2Very high101 Ų10152.8 Ų52.853%0.52925%0.246SC..Hα-helixtrans-59.9-48.6178.7178.765.8000112.1S274 L275 A276 K282S274-L278 WeakPolarHBondContact O-CB 3.3Å; S274-L278 PolarHBondContact O-N 3.48Å; L275-L278 WeakPolarHBondContact O-CB 3.32Å; L275-L278 PolarHBondContact O-N 2.78Å; A276-L278 PolarHBondContact O-N 3.34Å; L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 PolarHBondContact O-N 3.06Å
279F92.6Very high92.1Very high10 Ų1054.6 Ų54.64%0.04426%0.257CS..Hα-helixtrans-79-29.3-179.2-74.8-87.5000113H33 L275 A276 K282 H283 Y285 L315 T318 A319 D322H33-F279 HydrophobicContact CB-CB 4.04Å; H33-F279 HydrophobicContact CB-CD1 4.32Å; H33-F279 HydrophobicContact CB-CG 4.28Å; L275-F279 WeakPolarHBondContact O-CD2 3.24Å; L275-F279 PolarHBondContact O-N 3.49Å; A276-F279 PolarHBondContact O-N 3.19Å; F279-K282 HydrophobicContact CD1-CD 4.44Å; F279-K282 PolarHBondContact O-N 3.21Å; F279-H283 PolarHBondContact O-CD2 3.27Å; F279-H283 PolarHBondContact O-N 2.88Å; F279-Y285 WeakPolarHBondContact O-CE1 3.27Å; F279-L315 HydrophobicContact CE2-CD1 4.37Å; F279-T318 HydrophobicContact CD1-CG2 4.24Å; F279-T318 HydrophobicContact CD2-CG2 3.52Å; F279-T318 HydrophobicContact CE1-CG2 4.06Å; F279-T318 HydrophobicContact CE2-CG2 3.34Å; F279-T318 HydrophobicContact CG-CG2 4Å; F279-T318 HydrophobicContact CZ-CG2 3.63Å; F279-A319 HydrophobicContact CZ-CB 4.22Å; F279-D322 HydrophobicContact CD1-CB 4.15Å; F279-D322 HydrophobicContact CE1-CB 3.66Å; F279-D322 WeakPolarHBondContact CE1-OD2 3.29Å
280A93.6Very high92.1Very high6 Ų656.2 Ų56.25%0.0527%0.266CS..Hα-helixtrans-60.8-45.3170.300000111.9A276 K277 D284 Y285 L287A276-A280 WeakPolarHBondContact O-CB 3.43Å; A276-A280 PolarHBondContact O-N 2.98Å; K277-A280 PolarHBondContact O-N 3.44Å; A280-D284 PolarHBondContact O-N 2.99Å; A280-Y285 HydrophobicContact CB-CD2 4.06Å; A280-Y285 HydrophobicContact CB-CE1 4.15Å; A280-Y285 HydrophobicContact CB-CE2 3.64Å; A280-Y285 HydrophobicContact CB-CG 4.46Å; A280-Y285 WeakPolarHBondContact CB-O 3.27Å; A280-Y285 PolarHBondContact N-OH 3.38Å; A280-Y285 PolarHBondContact O-N 3.49Å; A280-L287 HydrophobicContact CB-CB 3.95Å
281K93.6Very high92.4Very high174 Ų17459.3 Ų59.376%0.75728%0.28SS*.Hα-helixtrans-66.7-36.1173.8-173.6177.3-178.31780112.7K277 H283K277-K281 WeakPolarHBondContact O-CB 3.45Å; K277-K281 PolarHBondContact O-N 3.09Å; K281-H283 VanDerWaalsContact C-N 3.35Å
282K92.9Very high92.6Very high125 Ų12558.7 Ų58.754%0.54328%0.277SS..Hα-helixtrans-67.4-34.6179.2-177.4-179.9174.8-174.40112.9L278 F279 D322L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 PolarHBondContact O-N 3.06Å; F279-K282 HydrophobicContact CD1-CD 4.44Å; F279-K282 PolarHBondContact O-N 3.21Å; K282-D322 IonicContact NZ-OD1 3.44Å; K282-D322 IonicContact NZ-OD2 2.81Å; K282-D322 PolarHBondContact NZ-OD2 3.09Å
283H94.2Very high92.7Very high52 Ų5258.8 Ų58.824%0.24128%0.277CS..THydrogen-bonded Turntrans-113.220-175-69.2-79.2000113.2H33 F279 K281 Y285 D322H33-H283 AromaticContact CD2-CD2 3.83Å; H33-H283 AromaticContact CD2-NE2 3.68Å; H33-H283 AromaticContact CE1-CD2 3.4Å; H33-H283 PolarHBondContact CE1-CD2 3.28Å; H33-H283 AromaticContact CE1-CG 3.57Å; H33-H283 AromaticContact CE1-NE2 3.85Å; H33-H283 AromaticContact ND1-CD2 3.84Å; H33-H283 AromaticContact NE2-CD2 3.39Å; H33-H283 PolarHBondContact NE2-CD2 3.24Å; H33-H283 AromaticContact NE2-CE1 3.67Å; H33-H283 AromaticContact NE2-CG 3.74Å; H33-H283 AromaticContact NE2-ND1 3.95Å; H33-H283 AromaticContact NE2-NE2 3.33Å; H33-H283 PolarHBondContact NE2-NE2 2.62Å; F279-H283 PolarHBondContact O-CD2 3.27Å; F279-H283 PolarHBondContact O-N 2.88Å; K281-H283 VanDerWaalsContact C-N 3.35Å; H283-Y285 VanDerWaalsContact C-N 3.33Å; H283-Y285 HydrophobicContact CB-CD1 3.83Å; H283-Y285 HydrophobicContact CB-CE1 3.99Å; H283-Y285 PolarHBondContact O-N 2.87Å; H283-Y285 VanDerWaalsContact O-N 3.16Å; H283-D322 IonicContact CD2-OD1 3.07Å; H283-D322 IonicContact CE1-OD1 3.58Å; H283-D322 PolarHBondContact CE1-OD1 3.44Å; H283-D322 VanDerWaalsContact CE1-OD1 3.23Å; H283-D322 IonicContact NE2-OD1 3.34Å; H283-D322 PolarHBondContact NE2-OD1 2.98Å
284D92.9Very high92.9Very high153 Ų15361.8 Ų61.882%0.81829%0.29SS*.THydrogen-bonded Turntrans47.247.5173.2-61.4-45.8000114.8A280A280-D284 PolarHBondContact O-N 2.99Å
285Y94.4Very high93.2Very high31 Ų3160.6 Ų60.612%0.12228%0.282CS..  trans-121.4152.3172.270.9-92.3000112.5S31 K32 H33 F279 A280 H283S31-Y285 PolarHBondContact OG-OH 3.23Å; K32-Y285 HydrophobicContact CB-CE1 4.32Å; K32-Y285 HydrophobicContact CD-CD1 4.39Å; K32-Y285 HydrophobicContact CD-CG 4.38Å; K32-Y285 HydrophobicContact CG-CE2 4.46Å; K32-Y285 PolarHBondContact N-OH 3.22Å; H33-Y285 AromaticContact CE1-CE1 3.86Å; H33-Y285 AromaticContact ND1-CE1 3.45Å; H33-Y285 WeakPolarHBondContact ND1-CE1 3.47Å; H33-Y285 AromaticContact ND1-CZ 3.96Å; F279-Y285 WeakPolarHBondContact O-CE1 3.27Å; A280-Y285 HydrophobicContact CB-CD2 4.06Å; A280-Y285 HydrophobicContact CB-CE1 4.15Å; A280-Y285 HydrophobicContact CB-CE2 3.64Å; A280-Y285 HydrophobicContact CB-CG 4.46Å; A280-Y285 WeakPolarHBondContact CB-O 3.27Å; A280-Y285 PolarHBondContact N-OH 3.38Å; A280-Y285 PolarHBondContact O-N 3.49Å; H283-Y285 VanDerWaalsContact C-N 3.33Å; H283-Y285 HydrophobicContact CB-CD1 3.83Å; H283-Y285 HydrophobicContact CB-CE1 3.99Å; H283-Y285 PolarHBondContact O-N 2.87Å; H283-Y285 VanDerWaalsContact O-N 3.16Å
286R92Very high93.5Very high216 Ų21659.8 Ų59.882%0.81528%0.277SS*.  trans-77.1129.6179-174.3176.3179.1176.6-0.2110.5
287L91.5Very high93.7Very high24 Ų2459.8 Ų59.813%0.12628%0.277CS..  trans-101144171.5-170.574.7000110.3S30 I273 A276 K277 A280 P289 E292S30-L287 VanDerWaalsContact OG-CD1 3.22Å; S30-L287 WeakPolarHBondContact OG-CD1 3.38Å; I273-L287 HydrophobicContact CD1-CD2 3.6Å; I273-L287 HydrophobicContact CD1-CG 4.41Å; A276-L287 HydrophobicContact CB-CD1 3.71Å; A276-L287 HydrophobicContact CB-CD2 3.62Å; A276-L287 HydrophobicContact CB-CG 4.32Å; K277-L287 HydrophobicContact CB-CD2 4.32Å; K277-L287 HydrophobicContact CG-CD2 3.62Å; A280-L287 HydrophobicContact CB-CB 3.95Å; L287-P289 WeakPolarHBondContact O-CD 3.46Å; L287-E292 HydrophobicContact CD1-CG 4.42Å
288L92.2Very high94Very high74 Ų7458.1 Ų58.139%0.38727%0.272SS..  trans-111.498.9175.4-64.3179000109.6S30 N290 Q291 E292S30-L288 PolarHBondContact OG-N 3.04Å; L288-N290 VanDerWaalsContact C-N 3.29Å; L288-N290 PolarHBondContact O-N 3.11Å; L288-Q291 HydrophobicContact CB-CB 3.83Å; L288-Q291 WeakPolarHBondContact O-CB 3.43Å; L288-Q291 PolarHBondContact O-N 3.28Å; L288-E292 PolarHBondContact O-N 2.75Å
289P91.9Very high94.4Very high38 Ų3853.3 Ų53.325%0.24725%0.247CC..Hα-helixtrans-57.4-39.5-174.8-26.734.5000114.1Y269 I273 L287 Q291 E292Y269-P289 PolarHBondContact OH-O 3.48Å; I273-P289 HydrophobicContact CD1-CB 3.77Å; I273-P289 HydrophobicContact CD1-CG 4.18Å; I273-P289 HydrophobicContact CG1-CB 4.37Å; L287-P289 WeakPolarHBondContact O-CD 3.46Å; P289-Q291 VanDerWaalsContact C-N 3.29Å; P289-Q291 PolarHBondContact O-N 3.45Å; P289-E292 WeakPolarHBondContact O-CB 3.34Å; P289-E292 PolarHBondContact O-N 3.28Å
290N94Very high94.7Very high34 Ų3452.8 Ų52.818%0.18225%0.245CC..Hα-helixtrans-67.7-30.4178.8-158.554.4000112.9G110 N113 G115 L288 E292 W293 F294G110-N290 PolarHBondContact O-ND2 3.21Å; G110-N290 PolarHBondContact O-OD1 2.88Å; N113-N290 WeakPolarHBondContact CA-OD1 3.41Å; N113-N290 VanDerWaalsContact OD1-CG 3.22Å; N113-N290 PolarHBondContact OD1-ND2 3.13Å; G115-N290 PolarHBondContact N-OD1 3.06Å; L288-N290 VanDerWaalsContact C-N 3.29Å; L288-N290 PolarHBondContact O-N 3.11Å; N290-E292 VanDerWaalsContact C-N 3.29Å; N290-E292 PolarHBondContact O-N 2.83Å; N290-W293 WeakPolarHBondContact O-CB 3.39Å; N290-W293 PolarHBondContact O-N 3.38Å; N290-F294 VanDerWaalsContact O-CD2 3.31Å; N290-F294 WeakPolarHBondContact O-CD2 3.34Å
291Q95.1Very high94.9Very high68 Ų6853.2 Ų53.232%0.31825%0.247SC..Hα-helixtrans-67.3-32.3174.8-174.1177.4-9.800111.4F28 L288 P289 W293 F294 A295F28-Q291 WeakPolarHBondContact O-CG 3.42Å; F28-Q291 PolarHBondContact O-NE2 2.99Å; L288-Q291 HydrophobicContact CB-CB 3.83Å; L288-Q291 WeakPolarHBondContact O-CB 3.43Å; L288-Q291 PolarHBondContact O-N 3.28Å; P289-Q291 VanDerWaalsContact C-N 3.29Å; P289-Q291 PolarHBondContact O-N 3.45Å; Q291-W293 VanDerWaalsContact C-N 3.27Å; Q291-W293 PolarHBondContact O-N 2.96Å; Q291-F294 PolarHBondContact O-N 3.33Å; Q291-A295 WeakPolarHBondContact O-CB 3.46Å; Q291-A295 PolarHBondContact O-N 3.41Å
292E94.7Very high95Very high0 Ų046.5 Ų46.50%022%0.222CC..Hα-helixtrans-66.1-27.9177.4-65.8-57.912900112.9Y25 S30 S31 Y269 I273 L287 L288 P289 N290 L296Y25-E292 WeakPolarHBondContact CE2-OE2 3.28Å; Y25-E292 VanDerWaalsContact OH-CD 3.22Å; Y25-E292 PolarHBondContact OH-OE1 3.16Å; Y25-E292 VanDerWaalsContact OH-OE1 3.08Å; Y25-E292 PolarHBondContact OH-OE2 3.48Å; S30-E292 WeakPolarHBondContact CA-OE1 3.46Å; S30-E292 WeakPolarHBondContact CB-OE1 3.33Å; S30-E292 PolarHBondContact N-OE1 3.15Å; S30-E292 PolarHBondContact OG-OE1 3.15Å; S31-E292 PolarHBondContact N-OE1 2.9Å; Y269-E292 HydrophobicContact CD2-CB 4.43Å; Y269-E292 HydrophobicContact CE2-CB 3.95Å; I273-E292 HydrophobicContact CD1-CB 4.23Å; I273-E292 HydrophobicContact CD1-CG 3.95Å; L287-E292 HydrophobicContact CD1-CG 4.42Å; L288-E292 PolarHBondContact O-N 2.75Å; P289-E292 WeakPolarHBondContact O-CB 3.34Å; P289-E292 PolarHBondContact O-N 3.28Å; N290-E292 VanDerWaalsContact C-N 3.29Å; N290-E292 PolarHBondContact O-N 2.83Å; E292-L296 WeakPolarHBondContact O-CB 3.26Å; E292-L296 WeakPolarHBondContact O-CG 3.16Å; E292-L296 PolarHBondContact O-N 3.5Å
293W94.6Very high95.2Very high2 Ų240.6 Ų40.61%0.00820%0.196CC..Hα-helixtrans-61.8-51.6169.3-81.4124.3000111.1Q106 L109 M114 I266 Y269 N290 Q291 G297Q106-W293 HydrophobicContact CB-CE3 3.99Å; Q106-W293 HydrophobicContact CB-CZ3 4.41Å; Q106-W293 HydrophobicContact CG-CE3 3.88Å; Q106-W293 HydrophobicContact CG-CZ3 3.86Å; L109-W293 HydrophobicContact CB-CD2 4.04Å; L109-W293 HydrophobicContact CB-CE3 4.09Å; L109-W293 HydrophobicContact CB-CH2 4.47Å; L109-W293 HydrophobicContact CB-CZ2 4.41Å; L109-W293 HydrophobicContact CB-CZ3 4.31Å; L109-W293 HydrophobicContact CD1-CE3 4.2Å; L109-W293 HydrophobicContact CD1-CH2 3.51Å; L109-W293 HydrophobicContact CD1-CZ2 4.07Å; L109-W293 HydrophobicContact CD1-CZ3 3.58Å; M114-W293 PolarHBondContact O-NE1 3.46Å; M114-W293 VanDerWaalsContact O-NE1 3.12Å; I266-W293 HydrophobicContact CG1-CH2 4.23Å; Y269-W293 HydrophobicContact CD1-CD2 4.12Å; Y269-W293 AromaticContact CD1-CE2 3.53Å; Y269-W293 HydrophobicContact CD1-CE3 4.37Å; Y269-W293 AromaticContact CD1-CH2 3.52Å; Y269-W293 HydrophobicContact CD1-CH2 3.52Å; Y269-W293 AromaticContact CD1-CZ2 3.21Å; Y269-W293 HydrophobicContact CD1-CZ2 3.21Å; Y269-W293 HydrophobicContact CD1-CZ3 4.1Å; Y269-W293 AromaticContact CD2-CD2 3.4Å; Y269-W293 HydrophobicContact CD2-CD2 3.4Å; Y269-W293 AromaticContact CD2-CE2 3.66Å; Y269-W293 AromaticContact CD2-CE3 3.62Å; Y269-W293 HydrophobicContact CD2-CE3 3.62Å; Y269-W293 AromaticContact CD2-CG 3.82Å; Y269-W293 HydrophobicContact CD2-CG 3.82Å; Y269-W293 HydrophobicContact CD2-CH2 4.27Å; Y269-W293 HydrophobicContact CD2-CZ2 4.1Å; Y269-W293 HydrophobicContact CD2-CZ3 4.05Å; Y269-W293 HydrophobicContact CE1-CD2 4.27Å; Y269-W293 AromaticContact CE1-CE2 3.48Å; Y269-W293 VanDerWaalsContact CE1-CE2 3.48Å; Y269-W293 HydrophobicContact CE1-CH2 4.27Å; Y269-W293 AromaticContact CE1-CZ2 3.49Å; Y269-W293 HydrophobicContact CE1-CZ2 3.49Å; Y269-W293 VanDerWaalsContact CE1-CZ2 3.49Å; Y269-W293 AromaticContact CE1-NE1 3.61Å; Y269-W293 HydrophobicContact CE2-CB 4.35Å; Y269-W293 AromaticContact CE2-CD1 3.62Å; Y269-W293 AromaticContact CE2-CD2 3.59Å; Y269-W293 HydrophobicContact CE2-CD2 3.59Å; Y269-W293 AromaticContact CE2-CE2 3.63Å; Y269-W293 HydrophobicContact CE2-CE3 4.29Å; Y269-W293 AromaticContact CE2-CG 3.58Å; Y269-W293 HydrophobicContact CE2-CG 3.58Å; Y269-W293 HydrophobicContact CE2-CZ2 4.34Å; Y269-W293 AromaticContact CE2-NE1 3.63Å; Y269-W293 AromaticContact CG-CD2 3.68Å; Y269-W293 HydrophobicContact CG-CD2 3.68Å; Y269-W293 AromaticContact CG-CE2 3.6Å; Y269-W293 AromaticContact CG-CE3 3.66Å; Y269-W293 HydrophobicContact CG-CE3 3.66Å; Y269-W293 AromaticContact CG-CH2 3.5Å; Y269-W293 HydrophobicContact CG-CH2 3.5Å; Y269-W293 VanDerWaalsContact CG-CH2 3.5Å; Y269-W293 AromaticContact CG-CZ2 3.53Å; Y269-W293 HydrophobicContact CG-CZ2 3.53Å; Y269-W293 AromaticContact CG-CZ3 3.57Å; Y269-W293 HydrophobicContact CG-CZ3 3.57Å; Y269-W293 AromaticContact CZ-CD1 3.7Å; Y269-W293 AromaticContact CZ-CE2 3.53Å; Y269-W293 AromaticContact CZ-NE1 3.32Å; Y269-W293 VanDerWaalsContact CZ-NE1 3.32Å; N290-W293 WeakPolarHBondContact O-CB 3.39Å; N290-W293 PolarHBondContact O-N 3.38Å; Q291-W293 VanDerWaalsContact C-N 3.27Å; Q291-W293 PolarHBondContact O-N 2.96Å; W293-G297 PolarHBondContact O-N 3.31Å
294F96.2Very high95.3Very high65 Ų6538.2 Ų38.229%0.28519%0.185SC..Hα-helixtrans-62.9-42.9177.7-69.6-70.7000112.2I107 G110 M111 N290 Q291 G297 L298I107-F294 HydrophobicContact CG2-CD1 4.31Å; I107-F294 HydrophobicContact CG2-CE1 4.35Å; G110-F294 WeakPolarHBondContact O-CE2 3.32Å; G110-F294 WeakPolarHBondContact O-CZ 3.13Å; M111-F294 HydrophobicContact CG-CE1 3.74Å; M111-F294 HydrophobicContact CG-CZ 4.05Å; M111-F294 VanDerWaalsContact N-CZ 3.35Å; N290-F294 VanDerWaalsContact O-CD2 3.31Å; N290-F294 WeakPolarHBondContact O-CD2 3.34Å; Q291-F294 PolarHBondContact O-N 3.33Å; F294-G297 PolarHBondContact O-N 3.07Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 VanDerWaalsContact O-CG 3.32Å; F294-L298 WeakPolarHBondContact O-CG 3.16Å; F294-L298 PolarHBondContact O-N 3.03Å
295A96.7Very high95.5Very high0 Ų033.8 Ų33.80%016%0.159CC..Hα-helixtrans-61.5-51.1-178.600000111.6Y25 F28 Q291 G297 V299Y25-A295 HydrophobicContact CD2-CB 4.2Å; Y25-A295 HydrophobicContact CE2-CB 3.92Å; F28-A295 HydrophobicContact CB-CB 4.1Å; F28-A295 WeakPolarHBondContact O-CB 3.42Å; Q291-A295 WeakPolarHBondContact O-CB 3.46Å; Q291-A295 PolarHBondContact O-N 3.41Å; A295-G297 VanDerWaalsContact C-N 3.34Å; A295-V299 VanDerWaalsContact O-CB 3.28Å; A295-V299 WeakPolarHBondContact O-CB 3.23Å; A295-V299 WeakPolarHBondContact O-CG2 3.16Å; A295-V299 PolarHBondContact O-N 3.11Å
296L96.6Very high95.6Very high0 Ų035 Ų350%016%0.164CC..Hα-helixtrans-66.8-38.6176.8-68.6174.8000112V36 Q106 Y269 C272 E292 V299 N300V36-L296 HydrophobicContact CG1-CD2 4.49Å; V36-L296 HydrophobicContact CG2-CD2 4.49Å; Q106-L296 VanDerWaalsContact OE1-C 3.23Å; Q106-L296 PolarHBondContact OE1-O 2.65Å; Y269-L296 HydrophobicContact CD2-CD1 4.28Å; C272-L296 HydrophobicContact CB-CD1 3.52Å; C272-L296 HydrophobicContact CB-CD2 4.34Å; C272-L296 HydrophobicContact CB-CG 4.39Å; E292-L296 WeakPolarHBondContact O-CB 3.26Å; E292-L296 WeakPolarHBondContact O-CG 3.16Å; E292-L296 PolarHBondContact O-N 3.5Å; L296-V299 PolarHBondContact O-N 3.27Å; L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 PolarHBondContact O-N 2.92Å; L296-N300 PolarHBondContact O-ND2 3.44Å
297G97.9Very high95.7Very high0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-60.1-52178.400000112.1G103 W293 F294 A295 V299 N300 T301G103-G297 WeakPolarHBondContact CA-O 3.47Å; G103-G297 VanDerWaalsContact O-CA 3.27Å; G103-G297 WeakPolarHBondContact O-CA 3.34Å; W293-G297 PolarHBondContact O-N 3.31Å; F294-G297 PolarHBondContact O-N 3.07Å; A295-G297 VanDerWaalsContact C-N 3.34Å; G297-V299 PolarHBondContact O-N 2.99Å; G297-N300 PolarHBondContact O-N 3.4Å; G297-T301 WeakPolarHBondContact O-CB 3.13Å; G297-T301 PolarHBondContact O-N 2.94Å; G297-T301 PolarHBondContact O-OG1 2.62Å; G297-T301 VanDerWaalsContact O-OG1 3.08Å
298L97.5Very high96Very high47 Ų4723.5 Ų23.525%0.24612%0.12CC..Hα-helixtrans-63.1-41.1175.1-71.5168.8000111.9F28 I107 F294 N300 C302F28-L298 HydrophobicContact CB-CD1 4.22Å; F28-L298 HydrophobicContact CD1-CD1 3.5Å; F28-L298 VanDerWaalsContact CD1-CD1 3.5Å; F28-L298 HydrophobicContact CD2-CB 3.84Å; F28-L298 HydrophobicContact CD2-CD1 3.87Å; F28-L298 HydrophobicContact CD2-CG 4.49Å; F28-L298 HydrophobicContact CE1-CD1 3.72Å; F28-L298 HydrophobicContact CE2-CB 4.1Å; F28-L298 HydrophobicContact CE2-CD1 4.07Å; F28-L298 HydrophobicContact CG-CB 4.29Å; F28-L298 HydrophobicContact CG-CD1 3.58Å; F28-L298 HydrophobicContact CZ-CD1 4Å; I107-L298 HydrophobicContact CD1-CD2 4.04Å; I107-L298 HydrophobicContact CD1-CG 4.32Å; F294-L298 WeakPolarHBondContact O-CB 3.49Å; F294-L298 VanDerWaalsContact O-CG 3.32Å; F294-L298 WeakPolarHBondContact O-CG 3.16Å; F294-L298 PolarHBondContact O-N 3.03Å; L298-N300 PolarHBondContact O-N 3.17Å; L298-C302 WeakPolarHBondContact O-CB 3.19Å; L298-C302 PolarHBondContact O-N 2.96Å; L298-C302 PolarHBondContact O-SG 3.34Å
299V97.8Very high96.1Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-57.2-50.51751650000111.1P21 F24 Y25 V36 A295 L296 G297 S303P21-V299 HydrophobicContact CB-CG1 3.6Å; F24-V299 HydrophobicContact CB-CB 4.38Å; F24-V299 HydrophobicContact CB-CG2 3.72Å; Y25-V299 HydrophobicContact CD2-CG2 4.18Å; Y25-V299 HydrophobicContact CG-CG2 4.47Å; Y25-V299 VanDerWaalsContact N-CG2 3.33Å; V36-V299 HydrophobicContact CG1-CG1 4.1Å; A295-V299 VanDerWaalsContact O-CB 3.28Å; A295-V299 WeakPolarHBondContact O-CB 3.23Å; A295-V299 WeakPolarHBondContact O-CG2 3.16Å; A295-V299 PolarHBondContact O-N 3.11Å; L296-V299 PolarHBondContact O-N 3.27Å; G297-V299 PolarHBondContact O-N 2.99Å; V299-S303 WeakPolarHBondContact O-CB 3.41Å; V299-S303 PolarHBondContact O-N 3.44Å; V299-S303 PolarHBondContact O-OG 2.93Å
300N98.1Very high96.4Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-70.9-45-177.8-72.7-52.4000111.6T99 M102 Q106 L296 G297 L298 S303 S304 T311T99-N300 HydrophobicContact CG2-CB 3.98Å; T99-N300 WeakPolarHBondContact CG2-O 3.45Å; M102-N300 WeakPolarHBondContact CE-ND2 3.32Å; Q106-N300 PolarHBondContact OE1-ND2 2.93Å; L296-N300 WeakPolarHBondContact O-CB 3.27Å; L296-N300 PolarHBondContact O-N 2.92Å; L296-N300 PolarHBondContact O-ND2 3.44Å; G297-N300 PolarHBondContact O-N 3.4Å; L298-N300 PolarHBondContact O-N 3.17Å; N300-S303 PolarHBondContact O-OG 3.12Å; N300-S304 WeakPolarHBondContact O-CB 3.42Å; N300-S304 PolarHBondContact O-N 3.49Å; N300-S304 PolarHBondContact O-OG 3.16Å; N300-T311 WeakPolarHBondContact OD1-CB 3.42Å; N300-T311 PolarHBondContact OD1-N 3Å; N300-T311 PolarHBondContact OD1-OG1 3.4Å
301T97.8Very high96.4Very high14 Ų1416.6 Ų16.69%0.0868%0.081CC..Hα-helixtrans-62.7-45.2177.3-63.20000112.6F100 G103 I104 G297 S304 F305F100-T301 HydrophobicContact CD2-CG2 3.91Å; F100-T301 HydrophobicContact CE2-CG2 3.76Å; F100-T301 PolarHBondContact O-OG1 3.09Å; G103-T301 VanDerWaalsContact CA-OG1 3.27Å; G103-T301 WeakPolarHBondContact CA-OG1 3.05Å; I104-T301 HydrophobicContact CD1-CG2 3.96Å; I104-T301 PolarHBondContact N-OG1 2.85Å; G297-T301 WeakPolarHBondContact O-CB 3.13Å; G297-T301 PolarHBondContact O-N 2.94Å; G297-T301 PolarHBondContact O-OG1 2.62Å; G297-T301 VanDerWaalsContact O-OG1 3.08Å; T301-S304 PolarHBondContact O-OG 3.25Å; T301-F305 HydrophobicContact CG2-CE2 4.4Å; T301-F305 WeakPolarHBondContact O-CD2 3.27Å; T301-F305 WeakPolarHBondContact O-CE2 3.37Å
302C97.1Very high96.4Very high34 Ų3413.3 Ų13.323%0.237%0.066CC..Hα-helixtrans-74.1-41.6-179.6-650000111.6F24 L298 S304 F305 F306F24-C302 HydrophobicContact CD1-CB 3.91Å; F24-C302 HydrophobicContact CD2-CB 4.03Å; F24-C302 HydrophobicContact CE1-CB 3.7Å; F24-C302 HydrophobicContact CE2-CB 3.81Å; F24-C302 HydrophobicContact CG-CB 4.08Å; F24-C302 HydrophobicContact CZ-CB 3.65Å; L298-C302 WeakPolarHBondContact O-CB 3.19Å; L298-C302 PolarHBondContact O-N 2.96Å; L298-C302 PolarHBondContact O-SG 3.34Å; C302-S304 VanDerWaalsContact C-N 3.33Å; C302-S304 PolarHBondContact O-N 3.38Å; C302-F305 PolarHBondContact O-N 3.07Å; C302-F306 VanDerWaalsContact O-CD2 3.23Å; C302-F306 WeakPolarHBondContact O-CD2 3.23Å
303S96.4Very high96.3Very high0 Ų013.3 Ų13.30%07%0.066CC..Hα-helixtrans-71.3-26-178.569.50000113.4V299 N300 F305 F306 C308V299-S303 WeakPolarHBondContact O-CB 3.41Å; V299-S303 PolarHBondContact O-N 3.44Å; V299-S303 PolarHBondContact O-OG 2.93Å; N300-S303 PolarHBondContact O-OG 3.12Å; S303-F305 PolarHBondContact O-N 3.39Å; S303-F306 CarbonylContact O-C 3.38Å; S303-F306 WeakPolarHBondContact O-CA 3.09Å; S303-F306 PolarHBondContact O-N 3.49Å; S303-C308 VanDerWaalsContact O-CB 3.24Å; S303-C308 WeakPolarHBondContact O-CB 3.35Å; S303-C308 PolarHBondContact O-N 3.23Å; S303-C308 PolarHBondContact O-SG 2.86Å; S303-C308 VanDerWaalsContact O-SG 3.39Å
304S97Very high96.1Very high3 Ų313.3 Ų13.32%0.0217%0.066CC..Hα-helixtrans-60.2-33.7177.263.60000112.6F100 N300 T301 C302 F306 S307F100-S304 WeakPolarHBondContact CB-OG 3.32Å; N300-S304 WeakPolarHBondContact O-CB 3.42Å; N300-S304 PolarHBondContact O-N 3.49Å; N300-S304 PolarHBondContact O-OG 3.16Å; T301-S304 PolarHBondContact O-OG 3.25Å; C302-S304 VanDerWaalsContact C-N 3.33Å; C302-S304 PolarHBondContact O-N 3.38Å; S304-F306 PolarHBondContact O-N 3.3Å; S304-S307 PolarHBondContact O-N 3.01Å
305F96.7Very high95.6Very high59 Ų5913.7 Ų13.726%0.2597%0.07SC..Hα-helixtrans-61.6-31.3174.3-64.2-72.3000111.7F100 P246 R247 L248 T301 C302 S303 S307F100-F305 HydrophobicContact CD2-CE2 4.32Å; F100-F305 HydrophobicContact CD2-CZ 4.02Å; F100-F305 HydrophobicContact CE2-CE1 4.5Å; F100-F305 HydrophobicContact CE2-CE2 4.2Å; F100-F305 AromaticContact CE2-CZ 3.7Å; F100-F305 HydrophobicContact CE2-CZ 3.7Å; P246-F305 CarbonylContact C-O 3.35Å; P246-F305 WeakPolarHBondContact CA-O 3.47Å; R247-F305 PolarHBondContact N-O 2.82Å; R247-F305 WeakPolarHBondContact O-CA 3.4Å; R247-F305 WeakPolarHBondContact O-CD1 3.34Å; L248-F305 HydrophobicContact CD2-CD1 4.3Å; L248-F305 HydrophobicContact CD2-CE1 3.93Å; T301-F305 HydrophobicContact CG2-CE2 4.4Å; T301-F305 WeakPolarHBondContact O-CD2 3.27Å; T301-F305 WeakPolarHBondContact O-CE2 3.37Å; C302-F305 PolarHBondContact O-N 3.07Å; S303-F305 PolarHBondContact O-N 3.39Å; F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 3.46Å
306F96Very high95Very high56 Ų5617 Ų1725%0.2469%0.093CC..THydrogen-bonded Turntrans-95.934.7-179.9-55.6-82.5000112.8Y20 F24 P246 C302 S303 S304 C308Y20-F306 HydrophobicContact CD1-CB 3.93Å; Y20-F306 HydrophobicContact CD1-CD1 4.39Å; Y20-F306 HydrophobicContact CD1-CD2 4.04Å; Y20-F306 AromaticContact CD1-CG 3.86Å; Y20-F306 HydrophobicContact CD1-CG 3.86Å; Y20-F306 HydrophobicContact CD2-CB 3.55Å; Y20-F306 HydrophobicContact CD2-CG 4.38Å; Y20-F306 HydrophobicContact CE1-CB 3.76Å; Y20-F306 AromaticContact CE1-CD1 3.66Å; Y20-F306 HydrophobicContact CE1-CD1 3.66Å; Y20-F306 HydrophobicContact CE1-CD2 4.12Å; Y20-F306 HydrophobicContact CE1-CE1 4.28Å; Y20-F306 AromaticContact CE1-CG 3.56Å; Y20-F306 HydrophobicContact CE1-CG 3.56Å; Y20-F306 HydrophobicContact CE2-CB 3.38Å; Y20-F306 HydrophobicContact CE2-CD1 4.49Å; Y20-F306 HydrophobicContact CE2-CG 4.13Å; Y20-F306 HydrophobicContact CG-CB 3.83Å; Y20-F306 HydrophobicContact CG-CD2 4.5Å; Y20-F306 HydrophobicContact CG-CG 4.26Å; Y20-F306 VanDerWaalsContact CZ-CB 3.47Å; Y20-F306 AromaticContact CZ-CD1 3.71Å; Y20-F306 AromaticContact CZ-CG 3.71Å; F24-F306 HydrophobicContact CE2-CD2 4.26Å; F24-F306 HydrophobicContact CE2-CE2 4.35Å; F24-F306 HydrophobicContact CZ-CD2 4.24Å; F24-F306 AromaticContact CZ-CE2 3.87Å; F24-F306 HydrophobicContact CZ-CE2 3.87Å; P246-F306 HydrophobicContact CG-CD1 4.38Å; P246-F306 HydrophobicContact CG-CE1 3.96Å; C302-F306 VanDerWaalsContact O-CD2 3.23Å; C302-F306 WeakPolarHBondContact O-CD2 3.23Å; S303-F306 CarbonylContact O-C 3.38Å; S303-F306 WeakPolarHBondContact O-CA 3.09Å; S303-F306 PolarHBondContact O-N 3.49Å; S304-F306 PolarHBondContact O-N 3.3Å; F306-C308 VanDerWaalsContact C-N 3.33Å; F306-C308 PolarHBondContact O-N 3.45Å
307S94.3Very high94.6Very high0 Ų020.3 Ų20.30%011%0.106CC..THydrogen-bonded Turntrans60.936.7176.4-63.20000114Y13 L96 S304 F305Y13-S307 VanDerWaalsContact CD1-O 3.28Å; Y13-S307 WeakPolarHBondContact CD1-O 3.42Å; L96-S307 VanDerWaalsContact CD2-CA 3.44Å; S304-S307 PolarHBondContact O-N 3.01Å; F305-S307 VanDerWaalsContact C-N 3.28Å; F305-S307 PolarHBondContact O-N 3.46Å
308C96.5Very high94.3Very high0 Ų020.3 Ų20.30%011%0.106CC..PPolyproline II helixtrans-94.7137.9172.2-610000111.7Y16 T17 L96 T99 S303 F306Y16-C308 VanDerWaalsContact C-SG 3.51Å; Y16-C308 PolarHBondContact O-SG 2.83Å; Y16-C308 VanDerWaalsContact O-SG 3.42Å; T17-C308 HydrophobicContact CG2-CB 4.34Å; T17-C308 WeakPolarHBondContact OG1-CA 3.42Å; L96-C308 WeakPolarHBondContact CD2-O 3.33Å; T99-C308 PolarHBondContact OG1-O 3.28Å; S303-C308 VanDerWaalsContact O-CB 3.24Å; S303-C308 WeakPolarHBondContact O-CB 3.35Å; S303-C308 PolarHBondContact O-N 3.23Å; S303-C308 PolarHBondContact O-SG 2.86Å; S303-C308 VanDerWaalsContact O-SG 3.39Å; F306-C308 VanDerWaalsContact C-N 3.33Å; F306-C308 PolarHBondContact O-N 3.45Å
309H95.7Very high93.8Very high0 Ų019.9 Ų19.90%011%0.109CC..PPolyproline II helixtrans-86.1173.4168.26670.3000110.1S4 L9 T17 S43 A95 T99 T311S4-H309 PolarHBondContact OG-CD2 3Å; S4-H309 PolarHBondContact OG-NE2 3.27Å; L9-H309 HydrophobicContact CD1-CB 3.78Å; T17-H309 VanDerWaalsContact CG2-O 3.26Å; T17-H309 WeakPolarHBondContact CG2-O 3.38Å; T17-H309 PolarHBondContact OG1-CD2 3.01Å; T17-H309 VanDerWaalsContact OG1-CD2 3.23Å; T17-H309 PolarHBondContact OG1-N 3.38Å; T17-H309 VanDerWaalsContact OG1-N 3.14Å; T17-H309 PolarHBondContact OG1-NE2 2.93Å; S43-H309 PolarHBondContact OG-CE1 2.83Å; A95-H309 HydrophobicContact CB-CB 4.32Å; T99-H309 VanDerWaalsContact OG1-CA 3.25Å; T99-H309 WeakPolarHBondContact OG1-CA 3.26Å; H309-T311 WeakPolarHBondContact O-CG2 3.44Å; H309-T311 PolarHBondContact O-N 3.49Å
310P96.9Very high93.1Very high0 Ų024.3 Ų24.30%013%0.133CC..PPolyproline II helixtrans-54.6136.8-173.4-34.544.3000113.6V42 S46 L98 T99 M102 V264V42-P310 HydrophobicContact CB-CB 4.37Å; V42-P310 WeakPolarHBondContact CG2-O 3.18Å; S46-P310 VanDerWaalsContact OG-CD 3.32Å; S46-P310 WeakPolarHBondContact OG-CD 3.37Å; S46-P310 WeakPolarHBondContact OG-CG 3.33Å; L98-P310 HydrophobicContact CD2-CG 4.19Å; L98-P310 HydrophobicContact CG-CG 4.19Å; T99-P310 WeakPolarHBondContact OG1-CD 3.16Å; T99-P310 VanDerWaalsContact OG1-CG 3.29Å; T99-P310 WeakPolarHBondContact OG1-CG 3.38Å; M102-P310 HydrophobicContact SD-CB 3.75Å; M102-P310 HydrophobicContact SD-CG 4.35Å; V264-P310 HydrophobicContact CG1-CB 4.17Å
311T95.5Very high92.6Very high0 Ų025.8 Ų25.80%014%0.139CC..  trans-113.5153.6-173.872.90000111.7T17 P21 G37 N300 H309T17-T311 HydrophobicContact CG2-CG2 3.47Å; T17-T311 VanDerWaalsContact CG2-CG2 3.47Å; P21-T311 HydrophobicContact CB-CG2 3.7Å; P21-T311 HydrophobicContact CG-CG2 3.3Å; G37-T311 WeakPolarHBondContact O-CA 3.28Å; N300-T311 WeakPolarHBondContact OD1-CB 3.42Å; N300-T311 PolarHBondContact OD1-N 3Å; N300-T311 PolarHBondContact OD1-OG1 3.4Å; H309-T311 WeakPolarHBondContact O-CG2 3.44Å; H309-T311 PolarHBondContact O-N 3.49Å
312C94.2Very high92.2Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-153.3161.2174.8-177.90000110.4G37 F39 V42 A268G37-C312 PolarHBondContact N-O 3.14Å; G37-C312 PolarHBondContact O-N 2.88Å; F39-C312 HydrophobicContact CB-CB 4.01Å; F39-C312 HydrophobicContact CD1-CB 4.1Å; F39-C312 HydrophobicContact CG-CB 4.42Å; V42-C312 HydrophobicContact CB-CB 4.5Å; V42-C312 HydrophobicContact CG1-CB 3.78Å; V42-C312 HydrophobicContact CG2-CB 3.85Å; A268-C312 HydrophobicContact CB-CB 4.29Å
313A93.4Very high91.5Very high0 Ų027.1 Ų27.10%015%0.148CC..EExtended strand (participates in β ladder)trans-64144168.300000111I34 A35 C272 L275I34-A313 HydrophobicContact CB-CB 4.33Å; I34-A313 HydrophobicContact CD1-CB 4.22Å; A35-A313 WeakPolarHBondContact O-CA 3.49Å; C272-A313 HydrophobicContact CB-CB 4.2Å; L275-A313 HydrophobicContact CD1-CB 3.94Å
314S90.3Very high90.9Very high1 Ų131 Ų311%0.00717%0.166CC..  trans-118.5124178.7172.80000111.1A35 S316 R317 T318A35-S314 PolarHBondContact O-N 3.43Å; S314-S316 PolarHBondContact O-N 3.49Å; S314-S316 PolarHBondContact OG-OG 3.35Å; S314-R317 VanDerWaalsContact CB-NE 3.3Å; S314-R317 PolarHBondContact O-N 2.85Å; S314-T318 VanDerWaalsContact O-CB 3.27Å; S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 3.5Å; S314-T318 PolarHBondContact O-OG1 3.12Å
315L85.3Confident90.3Very high73 Ų7333.1 Ų33.138%0.38219%0.188SC..Hα-helixtrans-58.5-45.5178.4175.858.5000112L275 F279 T318 A319L275-L315 HydrophobicContact CD1-CB 4.24Å; L275-L315 HydrophobicContact CD2-CB 3.84Å; L275-L315 HydrophobicContact CD2-CD1 3.51Å; L275-L315 HydrophobicContact CD2-CG 4.15Å; F279-L315 HydrophobicContact CE2-CD1 4.37Å; L315-T318 PolarHBondContact O-N 3.44Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.91Å
316S83.9Confident89.9Confident69 Ų6931 Ų3148%0.48318%0.183SC..Hα-helixtrans-65.3-43.9-176.954.60000112.5S314 L320S314-S316 PolarHBondContact O-N 3.49Å; S314-S316 PolarHBondContact OG-OG 3.35Å; S316-L320 VanDerWaalsContact O-CB 3.31Å; S316-L320 WeakPolarHBondContact O-CB 3.29Å; S316-L320 PolarHBondContact O-N 3.5Å
317R88.2Confident89.5Confident70 Ų7033.6 Ų33.626%0.26420%0.196SC..Hα-helixtrans-67.1-43.9177.7-67.9-174.3-81.7143.61111.6A35 V36 G37 A38 S314 L320 Q321A35-R317 HydrophobicContact CB-CB 3.63Å; V36-R317 PolarHBondContact O-NH1 3.49Å; V36-R317 VanDerWaalsContact O-NH1 3.16Å; G37-R317 VanDerWaalsContact C-NH2 3.33Å; A38-R317 PolarHBondContact O-NH2 3.17Å; S314-R317 VanDerWaalsContact CB-NE 3.3Å; S314-R317 PolarHBondContact O-N 2.85Å; R317-L320 PolarHBondContact O-N 3.08Å; R317-Q321 WeakPolarHBondContact O-CB 3.27Å; R317-Q321 PolarHBondContact O-N 3.07Å
318T91.3Very high89.3Confident0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-61.7-49.2177.5-56.10000111.4H33 I34 A35 F279 S314 L315 L320 Q321 D322H33-T318 HydrophobicContact CB-CG2 4.42Å; H33-T318 WeakPolarHBondContact O-CG2 3.41Å; I34-T318 HydrophobicContact CB-CG2 4.5Å; I34-T318 HydrophobicContact CG2-CG2 4.24Å; A35-T318 PolarHBondContact N-OG1 3.14Å; F279-T318 HydrophobicContact CD1-CG2 4.24Å; F279-T318 HydrophobicContact CD2-CG2 3.52Å; F279-T318 HydrophobicContact CE1-CG2 4.06Å; F279-T318 HydrophobicContact CE2-CG2 3.34Å; F279-T318 HydrophobicContact CG-CG2 4Å; F279-T318 HydrophobicContact CZ-CG2 3.63Å; S314-T318 VanDerWaalsContact O-CB 3.27Å; S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 3.5Å; S314-T318 PolarHBondContact O-OG1 3.12Å; L315-T318 PolarHBondContact O-N 3.44Å; T318-L320 VanDerWaalsContact C-N 3.32Å; T318-L320 PolarHBondContact O-N 3.39Å; T318-Q321 PolarHBondContact O-N 2.62Å; T318-D322 VanDerWaalsContact O-CB 3.26Å; T318-D322 WeakPolarHBondContact O-CB 3.2Å; T318-D322 PolarHBondContact O-N 2.61Å
319A86.7Confident89Confident38 Ų3839.1 Ų39.131%0.31423%0.227SC..Hα-helixtrans-64.8-36.117900000112.3F279 L315 S323F279-A319 HydrophobicContact CZ-CB 4.22Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.91Å; A319-S323 VanDerWaalsContact O-CB 3.25Å; A319-S323 WeakPolarHBondContact O-CB 3.27Å; A319-S323 PolarHBondContact O-N 2.97Å; A319-S323 PolarHBondContact O-OG 3.43Å
320L83.9Confident88.8Confident94 Ų9443.3 Ų43.349%0.49225%0.252SS..Hα-helixtrans-65-52.3175.4-176.663.5000110.6S316 R317 T318 D322 S323 Q324S316-L320 VanDerWaalsContact O-CB 3.31Å; S316-L320 WeakPolarHBondContact O-CB 3.29Å; S316-L320 PolarHBondContact O-N 3.5Å; R317-L320 PolarHBondContact O-N 3.08Å; T318-L320 VanDerWaalsContact C-N 3.32Å; T318-L320 PolarHBondContact O-N 3.39Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 2.95Å; L320-S323 PolarHBondContact O-N 2.94Å; L320-S323 VanDerWaalsContact O-N 3.14Å; L320-S323 PolarHBondContact O-OG 3.46Å; L320-Q324 WeakPolarHBondContact O-CG 3.42Å; L320-Q324 PolarHBondContact O-N 2.65Å; L320-Q324 VanDerWaalsContact O-N 3.15Å
321Q87.8Confident88.4Confident31 Ų3144.8 Ų44.815%0.14527%0.265CS..Hα-helixtrans-55.2-48.1177.8177.8177.5-57.900111.8H33 R317 T318 S323 Q324 G325 G326 A331H33-Q321 PolarHBondContact O-NE2 2.93Å; R317-Q321 WeakPolarHBondContact O-CB 3.27Å; R317-Q321 PolarHBondContact O-N 3.07Å; T318-Q321 PolarHBondContact O-N 2.62Å; Q321-S323 PolarHBondContact O-N 2.89Å; Q321-Q324 PolarHBondContact O-N 3.44Å; Q321-Q324 VanDerWaalsContact O-N 3.17Å; Q321-G325 PolarHBondContact O-N 3.06Å; Q321-G326 PolarHBondContact O-N 3.27Å; Q321-A331 HydrophobicContact CG-CB 3.9Å
322D88.9Confident88.2Confident19 Ų1945.3 Ų45.310%0.10227%0.269CS..Hα-helixtrans-57.8-46.7175.6170.855.8000112.2F279 K282 H283 T318 L320 Q324 G325F279-D322 HydrophobicContact CD1-CB 4.15Å; F279-D322 HydrophobicContact CE1-CB 3.66Å; F279-D322 WeakPolarHBondContact CE1-OD2 3.29Å; K282-D322 IonicContact NZ-OD1 3.44Å; K282-D322 IonicContact NZ-OD2 2.81Å; K282-D322 PolarHBondContact NZ-OD2 3.09Å; H283-D322 IonicContact CD2-OD1 3.07Å; H283-D322 IonicContact CE1-OD1 3.58Å; H283-D322 PolarHBondContact CE1-OD1 3.44Å; H283-D322 VanDerWaalsContact CE1-OD1 3.23Å; H283-D322 IonicContact NE2-OD1 3.34Å; H283-D322 PolarHBondContact NE2-OD1 2.98Å; T318-D322 VanDerWaalsContact O-CB 3.26Å; T318-D322 WeakPolarHBondContact O-CB 3.2Å; T318-D322 PolarHBondContact O-N 2.61Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 2.95Å; D322-Q324 PolarHBondContact O-N 3.16Å; D322-Q324 VanDerWaalsContact O-N 3.12Å; D322-G325 PolarHBondContact O-N 3.38Å
323S83.5Confident88.2Confident57 Ų5747 Ų4740%0.39928%0.279SS..Hα-helixtrans-66.8-13.8179.378.30000114.8K201 A319 L320 Q321K201-S323 PolarHBondContact NZ-O 2.8Å; A319-S323 VanDerWaalsContact O-CB 3.25Å; A319-S323 WeakPolarHBondContact O-CB 3.27Å; A319-S323 PolarHBondContact O-N 2.97Å; A319-S323 PolarHBondContact O-OG 3.43Å; L320-S323 PolarHBondContact O-N 2.94Å; L320-S323 VanDerWaalsContact O-N 3.14Å; L320-S323 PolarHBondContact O-OG 3.46Å; Q321-S323 PolarHBondContact O-N 2.89Å
324Q83.3Confident88.1Confident82 Ų8251 Ų5138%0.38330%0.304SS..THydrogen-bonded Turntrans-99.36.7173.9-59.7-54.6-41.200112.3L320 Q321 D322L320-Q324 WeakPolarHBondContact O-CG 3.42Å; L320-Q324 PolarHBondContact O-N 2.65Å; L320-Q324 VanDerWaalsContact O-N 3.15Å; Q321-Q324 PolarHBondContact O-N 3.44Å; Q321-Q324 VanDerWaalsContact O-N 3.17Å; D322-Q324 PolarHBondContact O-N 3.16Å; D322-Q324 VanDerWaalsContact O-N 3.12Å
325G85Confident88.1Confident46 Ų4652.7 Ų52.747%0.47432%0.321SS..THydrogen-bonded Turntrans80.820.1177.700000114.3Q321 D322 Q327Q321-G325 PolarHBondContact O-N 3.06Å; D322-G325 PolarHBondContact O-N 3.38Å; G325-Q327 WeakPolarHBondContact O-CG 3.3Å; G325-Q327 PolarHBondContact O-N 3.32Å
326G87Confident88.6Confident15 Ų1549.3 Ų49.316%0.15530%0.303CS..  trans-68102.817200000111H33 Q321H33-G326 PolarHBondContact CD2-O 3.12Å; H33-G326 PolarHBondContact NE2-O 3.14Å; Q321-G326 PolarHBondContact O-N 3.27Å
327Q87Confident89.1Confident110 Ų11050.9 Ų50.951%0.51431%0.306SS..  trans-93.5-13.6-175.1-68-68.8-13.200114.2G325G325-Q327 WeakPolarHBondContact O-CG 3.3Å; G325-Q327 PolarHBondContact O-N 3.32Å
328T90.7Very high89.2Confident73 Ų7351.7 Ų51.745%0.44832%0.318SS..SBendtrans-137.2161.9-172.570.10000111.3K32 V330 A331K32-T328 CarbonylContact O-C 3.58Å; T328-V330 PolarHBondContact O-N 3.25Å; T328-V330 VanDerWaalsContact O-N 3.16Å; T328-V330 PolarHBondContact OG1-N 3.4Å; T328-A331 WeakPolarHBondContact O-CB 3.38Å; T328-A331 PolarHBondContact O-N 3.36Å; T328-A331 VanDerWaalsContact O-N 3.15Å
329Q90.7Very high89.3Confident44 Ų4453.7 Ų53.721%0.20633%0.329CS..THydrogen-bonded Turntrans-61.6-21.5176.5-67.1160.8-3900112.7T26 G29 S31 K32 A331 A332 V333T26-Q329 HydrophobicContact CG2-CB 3.76Å; T26-Q329 PolarHBondContact O-OE1 3.33Å; T26-Q329 PolarHBondContact OG1-O 2.81Å; G29-Q329 PolarHBondContact O-NE2 3.01Å; S31-Q329 WeakPolarHBondContact O-CG 3.33Å; S31-Q329 PolarHBondContact O-NE2 3.36Å; K32-Q329 PolarHBondContact O-N 3.06Å; Q329-A331 PolarHBondContact O-N 2.9Å; Q329-A331 VanDerWaalsContact O-N 3.15Å; Q329-A332 VanDerWaalsContact O-CB 3.28Å; Q329-A332 WeakPolarHBondContact O-CB 3.46Å; Q329-A332 PolarHBondContact O-N 2.96Å; Q329-V333 PolarHBondContact O-N 2.88Å
330V90.8Very high89.6Confident87 Ų8754 Ų5453%0.52732%0.324SS..Hα-helixtrans-57.6-29.5175.7-178.60000111.8T328 A332 V333 V334T328-V330 PolarHBondContact O-N 3.25Å; T328-V330 VanDerWaalsContact O-N 3.16Å; T328-V330 PolarHBondContact OG1-N 3.4Å; V330-A332 PolarHBondContact O-N 2.89Å; V330-V333 WeakPolarHBondContact O-CB 3.34Å; V330-V333 PolarHBondContact O-N 3.16Å; V330-V334 PolarHBondContact O-N 3.28Å
331A90Very high90.1Very high32 Ų3254.8 Ų54.826%0.26432%0.324SS..Hα-helixtrans-58.8-35.2173.900000112.4Q321 T328 Q329 V334 G335Q321-A331 HydrophobicContact CG-CB 3.9Å; T328-A331 WeakPolarHBondContact O-CB 3.38Å; T328-A331 PolarHBondContact O-N 3.36Å; T328-A331 VanDerWaalsContact O-N 3.15Å; Q329-A331 PolarHBondContact O-N 2.9Å; Q329-A331 VanDerWaalsContact O-N 3.15Å; A331-V334 PolarHBondContact O-N 3.14Å; A331-G335 PolarHBondContact O-N 2.89Å; A331-G335 VanDerWaalsContact O-N 3.07Å
332A90.7Very high90.2Very high11 Ų1155 Ų559%0.09133%0.327CS..Hα-helixtrans-71-33.6175.700000111.9P22 Q329 V330 G335 A336P22-A332 HydrophobicContact CB-CB 4.08Å; Q329-A332 VanDerWaalsContact O-CB 3.28Å; Q329-A332 WeakPolarHBondContact O-CB 3.46Å; Q329-A332 PolarHBondContact O-N 2.96Å; V330-A332 PolarHBondContact O-N 2.89Å; A332-G335 PolarHBondContact O-N 3.37Å; A332-A336 PolarHBondContact O-N 3.04Å
333V92.9Very high90.2Very high36 Ų3654 Ų5422%0.21832%0.322CS..Hα-helixtrans-64.8-45.6173.3179.40000110.9L23 T26 Q329 V330 G335 A336 L337L23-V333 HydrophobicContact CD2-CB 4.43Å; L23-V333 HydrophobicContact CD2-CG1 3.95Å; L23-V333 HydrophobicContact CD2-CG2 4.27Å; T26-V333 HydrophobicContact CG2-CG2 3.87Å; T26-V333 WeakPolarHBondContact OG1-CG2 3.42Å; Q329-V333 PolarHBondContact O-N 2.88Å; V330-V333 WeakPolarHBondContact O-CB 3.34Å; V330-V333 PolarHBondContact O-N 3.16Å; V333-G335 VanDerWaalsContact C-N 3.29Å; V333-G335 PolarHBondContact O-N 3.05Å; V333-A336 WeakPolarHBondContact O-CB 3.25Å; V333-A336 PolarHBondContact O-N 3.37Å; V333-A336 VanDerWaalsContact O-N 3.09Å; V333-L337 WeakPolarHBondContact O-CG 3.31Å; V333-L337 PolarHBondContact O-N 3.49Å
334V92.4Very high90.6Very high84 Ų8454.8 Ų54.851%0.50932%0.321SS..Hα-helixtrans-59.3-43.5175.2177.80000110.5V330 A331 A336 L337 V338V330-V334 PolarHBondContact O-N 3.28Å; A331-V334 PolarHBondContact O-N 3.14Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 2.89Å; V334-L337 PolarHBondContact O-N 2.87Å; V334-V338 PolarHBondContact O-N 2.99Å
335G90.9Very high90.9Very high36 Ų3656.6 Ų56.637%0.37133%0.328SS..Hα-helixtrans-58.2-43.517300000112.9A331 A332 V333 L337 V338 I339A331-G335 PolarHBondContact O-N 2.89Å; A331-G335 VanDerWaalsContact O-N 3.07Å; A332-G335 PolarHBondContact O-N 3.37Å; V333-G335 VanDerWaalsContact C-N 3.29Å; V333-G335 PolarHBondContact O-N 3.05Å; G335-L337 PolarHBondContact O-N 3.01Å; G335-V338 PolarHBondContact O-N 3.48Å; G335-I339 WeakPolarHBondContact O-CG1 3.41Å; G335-I339 PolarHBondContact O-N 2.9Å; G335-I339 VanDerWaalsContact O-N 3.14Å
336A94.1Very high91.1Very high1 Ų158 Ų581%0.00832%0.324CS..Hα-helixtrans-62.4-40.9176.300000112.1F19 P22 L23 A332 V333 V334 V338 I339 M340F19-A336 HydrophobicContact CD2-CB 3.91Å; F19-A336 VanDerWaalsContact CD2-O 3.28Å; F19-A336 WeakPolarHBondContact CD2-O 3.31Å; F19-A336 HydrophobicContact CE2-CB 4.3Å; F19-A336 WeakPolarHBondContact O-CB 3.3Å; P22-A336 HydrophobicContact CB-CB 4.19Å; P22-A336 HydrophobicContact CG-CB 4.5Å; L23-A336 HydrophobicContact CD2-CB 4.06Å; L23-A336 HydrophobicContact CG-CB 4.36Å; A332-A336 PolarHBondContact O-N 3.04Å; V333-A336 WeakPolarHBondContact O-CB 3.25Å; V333-A336 PolarHBondContact O-N 3.37Å; V333-A336 VanDerWaalsContact O-N 3.09Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 2.89Å; A336-V338 VanDerWaalsContact C-N 3.3Å; A336-V338 PolarHBondContact O-N 3.45Å; A336-I339 CarbonylContact O-C 3.48Å; A336-I339 WeakPolarHBondContact O-CA 3.38Å; A336-I339 WeakPolarHBondContact O-CB 3.48Å; A336-I339 PolarHBondContact O-N 3.5Å; A336-M340 PolarHBondContact O-N 2.92Å
337L94.4Very high91.1Very high102 Ų10257.4 Ų57.453%0.53432%0.318SS..Hα-helixtrans-62.2-35.6176.3-67.2175.3000112.6V333 V334 G335 M340 F341V333-L337 WeakPolarHBondContact O-CG 3.31Å; V333-L337 PolarHBondContact O-N 3.49Å; V334-L337 PolarHBondContact O-N 2.87Å; G335-L337 PolarHBondContact O-N 3.01Å; L337-M340 WeakPolarHBondContact O-CB 3.42Å; L337-M340 PolarHBondContact O-N 3.28Å; L337-F341 PolarHBondContact O-N 2.99Å
338V92Very high91.1Very high87 Ų8754.4 Ų54.453%0.52731%0.308SS..Hα-helixtrans-65.4-41172.2177.30000110.9V334 G335 A336 M340 F341 V342V334-V338 PolarHBondContact O-N 2.99Å; G335-V338 PolarHBondContact O-N 3.48Å; A336-V338 VanDerWaalsContact C-N 3.3Å; A336-V338 PolarHBondContact O-N 3.45Å; V338-M340 VanDerWaalsContact C-N 3.31Å; V338-M340 PolarHBondContact O-N 3.07Å; V338-F341 WeakPolarHBondContact O-CB 3.35Å; V338-F341 PolarHBondContact O-N 3.43Å; V338-V342 WeakPolarHBondContact O-CG2 3.41Å; V338-V342 PolarHBondContact O-N 2.87Å
339I92.5Very high91.1Very high43 Ų4358.3 Ų58.322%0.22132%0.319CS..Hα-helixtrans-65.4-35.7174.5-60.1-57.8000111.6L15 F19 G335 A336 F341 V342 L343L15-I339 HydrophobicContact CB-CG2 4.32Å; L15-I339 HydrophobicContact CD2-CG2 4.47Å; L15-I339 WeakPolarHBondContact O-CG2 3.44Å; F19-I339 HydrophobicContact CB-CG2 4.02Å; G335-I339 WeakPolarHBondContact O-CG1 3.41Å; G335-I339 PolarHBondContact O-N 2.9Å; G335-I339 VanDerWaalsContact O-N 3.14Å; A336-I339 CarbonylContact O-C 3.48Å; A336-I339 WeakPolarHBondContact O-CA 3.38Å; A336-I339 WeakPolarHBondContact O-CB 3.48Å; A336-I339 PolarHBondContact O-N 3.5Å; I339-F341 VanDerWaalsContact C-N 3.35Å; I339-V342 PolarHBondContact O-N 3.4Å; I339-L343 HydrophobicContact CG2-CD1 4.32Å; I339-L343 PolarHBondContact O-N 3.04Å
340M93.5Very high91.1Very high44 Ų4457 Ų5722%0.21731%0.314CS..Hα-helixtrans-58.4-47.3172.4-174.276105.300110.8F19 L243 A336 L337 V338 V342 L343 L344F19-M340 HydrophobicContact CD1-SD 4.42Å; F19-M340 HydrophobicContact CD2-CB 4.07Å; F19-M340 HydrophobicContact CD2-SD 4.41Å; F19-M340 HydrophobicContact CE1-CE 3.6Å; F19-M340 HydrophobicContact CE1-SD 3.97Å; F19-M340 HydrophobicContact CE2-CB 3.92Å; F19-M340 HydrophobicContact CE2-CE 3.57Å; F19-M340 HydrophobicContact CE2-CG 4.38Å; F19-M340 HydrophobicContact CE2-SD 3.95Å; F19-M340 HydrophobicContact CZ-CE 3.02Å; F19-M340 HydrophobicContact CZ-SD 3.75Å; L243-M340 HydrophobicContact CD1-CE 4.02Å; L243-M340 HydrophobicContact CD1-SD 3.98Å; L243-M340 HydrophobicContact CD2-SD 3.87Å; L243-M340 HydrophobicContact CG-SD 4.26Å; A336-M340 PolarHBondContact O-N 2.92Å; L337-M340 WeakPolarHBondContact O-CB 3.42Å; L337-M340 PolarHBondContact O-N 3.28Å; V338-M340 VanDerWaalsContact C-N 3.31Å; V338-M340 PolarHBondContact O-N 3.07Å; M340-V342 VanDerWaalsContact C-N 3.3Å; M340-V342 PolarHBondContact O-N 2.98Å; M340-L343 WeakPolarHBondContact O-CB 3.46Å; M340-L343 PolarHBondContact O-N 2.7Å; M340-L344 HydrophobicContact CG-CD1 4.16Å; M340-L344 WeakPolarHBondContact O-CG 3.3Å; M340-L344 PolarHBondContact O-N 3.49Å
341F93.1Very high91.2Very high110 Ų11056.1 Ų56.148%0.48230%0.303SS..Hα-helixtrans-58.6-42.5175177.5-96.3000111.9L337 V338 I339 L343 L344 F345 L346L337-F341 PolarHBondContact O-N 2.99Å; V338-F341 WeakPolarHBondContact O-CB 3.35Å; V338-F341 PolarHBondContact O-N 3.43Å; I339-F341 VanDerWaalsContact C-N 3.35Å; F341-L343 PolarHBondContact O-N 3.29Å; F341-L344 PolarHBondContact O-N 2.92Å; F341-F345 AromaticContact CD2-CD2 3.41Å; F341-F345 HydrophobicContact CD2-CD2 3.41Å; F341-F345 VanDerWaalsContact CD2-CD2 3.41Å; F341-F345 AromaticContact CD2-CE2 3.79Å; F341-F345 HydrophobicContact CD2-CE2 3.79Å; F341-F345 HydrophobicContact CD2-CG 4.48Å; F341-F345 HydrophobicContact CE2-CB 4.49Å; F341-F345 AromaticContact CE2-CD2 3.43Å; F341-F345 HydrophobicContact CE2-CD2 3.43Å; F341-F345 VanDerWaalsContact CE2-CD2 3.43Å; F341-F345 AromaticContact CE2-CE2 3.92Å; F341-F345 HydrophobicContact CE2-CE2 3.92Å; F341-F345 HydrophobicContact CE2-CG 4.16Å; F341-F345 HydrophobicContact CG-CD2 4.13Å; F341-F345 HydrophobicContact CZ-CB 4.43Å; F341-F345 HydrophobicContact CZ-CD2 4.18Å; F341-F345 WeakPolarHBondContact O-CD2 3.29Å; F341-F345 PolarHBondContact O-N 3.17Å; F341-L346 HydrophobicContact CD1-CD1 4.15Å; F341-L346 HydrophobicContact CE1-CD1 3.49Å; F341-L346 VanDerWaalsContact CE1-CD1 3.49Å; F341-L346 HydrophobicContact CZ-CD1 4.07Å
342V90.7Very high91.4Very high35 Ų3558.3 Ų58.321%0.21231%0.305CS..Iπ-helixtrans-62.7-42.4176.6173.60000111.9L15 V338 I339 M340 L344 L346 A347L15-V342 HydrophobicContact CD1-CG1 4.33Å; L15-V342 HydrophobicContact CD2-CG1 4.35Å; V338-V342 WeakPolarHBondContact O-CG2 3.41Å; V338-V342 PolarHBondContact O-N 2.87Å; I339-V342 PolarHBondContact O-N 3.4Å; M340-V342 VanDerWaalsContact C-N 3.3Å; M340-V342 PolarHBondContact O-N 2.98Å; V342-L344 VanDerWaalsContact C-N 3.32Å; V342-L344 PolarHBondContact O-N 3.08Å; V342-L346 HydrophobicContact CB-CB 4.47Å; V342-L346 HydrophobicContact CG1-CB 4.1Å; V342-L346 HydrophobicContact CG2-CD2 4.45Å; V342-L346 CarbonylContact O-C 3.52Å; V342-L346 WeakPolarHBondContact O-CA 3.47Å; V342-L346 PolarHBondContact O-N 3.48Å; V342-A347 PolarHBondContact O-N 3.24Å
343L89.8Confident91.6Very high0 Ų057.8 Ų57.80%030%0.301CS..Iπ-helixtrans-60.7-38.7177-85167.4000113I12 L15 Y16 F19 G242 L243 I339 M340 F341I12-L343 HydrophobicContact CD1-CD2 4.37Å; I12-L343 HydrophobicContact CG1-CD2 4.1Å; L15-L343 HydrophobicContact CB-CD1 4.22Å; L15-L343 HydrophobicContact CB-CD2 3.38Å; L15-L343 HydrophobicContact CB-CG 3.72Å; L15-L343 HydrophobicContact CD1-CD2 3.8Å; L15-L343 HydrophobicContact CD1-CG 4.28Å; L15-L343 HydrophobicContact CG-CD2 4.23Å; Y16-L343 HydrophobicContact CD1-CD1 3.88Å; Y16-L343 HydrophobicContact CD1-CD2 3.93Å; Y16-L343 HydrophobicContact CE1-CD1 4.14Å; Y16-L343 HydrophobicContact CE1-CD2 3.61Å; F19-L343 HydrophobicContact CB-CD1 4.17Å; F19-L343 HydrophobicContact CG-CD1 4.45Å; G242-L343 PolarHBondContact N-O 3.49Å; G242-L343 VanDerWaalsContact N-O 3.15Å; L243-L343 HydrophobicContact CD2-CD1 4.26Å; I339-L343 HydrophobicContact CG2-CD1 4.32Å; I339-L343 PolarHBondContact O-N 3.04Å; M340-L343 WeakPolarHBondContact O-CB 3.46Å; M340-L343 PolarHBondContact O-N 2.7Å; F341-L343 PolarHBondContact O-N 3.29Å
344L90.9Very high91.8Very high73 Ų7356.1 Ų56.138%0.38229%0.29SS..Iπ-helixtrans-80.2-39.1-176.4-65.3176.7000112.5M340 F341 V342M340-L344 HydrophobicContact CG-CD1 4.16Å; M340-L344 WeakPolarHBondContact O-CG 3.3Å; M340-L344 PolarHBondContact O-N 3.49Å; F341-L344 PolarHBondContact O-N 2.92Å; V342-L344 VanDerWaalsContact C-N 3.32Å; V342-L344 PolarHBondContact O-N 3.08Å
345F90.5Very high92Very high120 Ų12055.4 Ų55.453%0.52628%0.281SS..Iπ-helixtrans-120.4-32.7-167.6-57.5-73.2000114.9F341 F349F341-F345 AromaticContact CD2-CD2 3.41Å; F341-F345 HydrophobicContact CD2-CD2 3.41Å; F341-F345 VanDerWaalsContact CD2-CD2 3.41Å; F341-F345 AromaticContact CD2-CE2 3.79Å; F341-F345 HydrophobicContact CD2-CE2 3.79Å; F341-F345 HydrophobicContact CD2-CG 4.48Å; F341-F345 HydrophobicContact CE2-CB 4.49Å; F341-F345 AromaticContact CE2-CD2 3.43Å; F341-F345 HydrophobicContact CE2-CD2 3.43Å; F341-F345 VanDerWaalsContact CE2-CD2 3.43Å; F341-F345 AromaticContact CE2-CE2 3.92Å; F341-F345 HydrophobicContact CE2-CE2 3.92Å; F341-F345 HydrophobicContact CE2-CG 4.16Å; F341-F345 HydrophobicContact CG-CD2 4.13Å; F341-F345 HydrophobicContact CZ-CB 4.43Å; F341-F345 HydrophobicContact CZ-CD2 4.18Å; F341-F345 WeakPolarHBondContact O-CD2 3.29Å; F341-F345 PolarHBondContact O-N 3.17Å; F345-F349 VanDerWaalsContact O-CE2 3.31Å; F345-F349 WeakPolarHBondContact O-CE2 2.96Å
346L88.5Confident92.3Very high75 Ų7553.8 Ų53.839%0.39326%0.263SS..Iπ-helixtrans-101.9-17.4-170.2-84.765000114F341 V342 F349F341-L346 HydrophobicContact CD1-CD1 4.15Å; F341-L346 HydrophobicContact CE1-CD1 3.49Å; F341-L346 VanDerWaalsContact CE1-CD1 3.49Å; F341-L346 HydrophobicContact CZ-CD1 4.07Å; V342-L346 HydrophobicContact CB-CB 4.47Å; V342-L346 HydrophobicContact CG1-CB 4.1Å; V342-L346 HydrophobicContact CG2-CD2 4.45Å; V342-L346 CarbonylContact O-C 3.52Å; V342-L346 WeakPolarHBondContact O-CA 3.47Å; V342-L346 PolarHBondContact O-N 3.48Å; L346-F349 PolarHBondContact O-N 3.39Å
347A86.3Confident92.4Very high2 Ų253.7 Ų53.72%0.01726%0.263CS..G310 helixtrans-57.5-42.1-174.500000114.3L15 V239 V342 F349 V350L15-A347 HydrophobicContact CD1-CB 4.31Å; V239-A347 HydrophobicContact CG1-CB 3.87Å; V342-A347 PolarHBondContact O-N 3.24Å; A347-F349 PolarHBondContact O-N 3.48Å; A347-V350 WeakPolarHBondContact O-CG2 3.47Å; A347-V350 PolarHBondContact O-N 2.96Å
348P88.7Confident92.4Very high48 Ų4849.4 Ų49.431%0.31224%0.24SC..G310 helixtrans-64.6-27.5179.8-23.835.9000113.7V350 K351P348-V350 PolarHBondContact O-N 3.38Å; P348-K351 WeakPolarHBondContact O-CB 3.47Å; P348-K351 PolarHBondContact O-N 3.15Å
349F89.9Confident92.6Very high154 Ų15445.3 Ų45.368%0.67522%0.215SC*.G310 helixtrans-68.5-20.3-178-67-81.5000113.1T219 F345 L346 A347 K351T219-F349 VanDerWaalsContact CG2-O 3.27Å; T219-F349 WeakPolarHBondContact CG2-O 3.25Å; F345-F349 VanDerWaalsContact O-CE2 3.31Å; F345-F349 WeakPolarHBondContact O-CE2 2.96Å; L346-F349 PolarHBondContact O-N 3.39Å; A347-F349 PolarHBondContact O-N 3.48Å; F349-K351 PolarHBondContact O-N 2.75Å
350V90Very high92.8Very high18 Ų1843.2 Ų43.211%0.10921%0.205CC..G310 helixtrans-82.85.9178.1-58.70000113.6M1 V239 A347 P348 Y352 L353M1-V350 HydrophobicContact CE-CG1 4.22Å; M1-V350 HydrophobicContact SD-CB 4.49Å; M1-V350 HydrophobicContact SD-CG2 3.78Å; V239-V350 HydrophobicContact CB-CG2 4.42Å; V239-V350 HydrophobicContact CG2-CG2 4.01Å; A347-V350 WeakPolarHBondContact O-CG2 3.47Å; A347-V350 PolarHBondContact O-N 2.96Å; P348-V350 PolarHBondContact O-N 3.38Å; V350-Y352 VanDerWaalsContact C-N 3.26Å; V350-Y352 PolarHBondContact O-N 3.36Å; V350-L353 HydrophobicContact CB-CB 4.28Å; V350-L353 HydrophobicContact CB-CD2 4.42Å; V350-L353 WeakPolarHBondContact O-CB 3.36Å; V350-L353 PolarHBondContact O-N 2.99Å
351K92.8Very high92.8Very high68 Ų6842.7 Ų42.730%0.29620%0.204SC..G310 helixtrans-50.3-45.4179.3173.7177.4178.6162.20113.3G237 E238 P348 F349 L353G237-K351 PolarHBondContact N-O 2.97Å; G237-K351 VanDerWaalsContact N-O 3.13Å; G237-K351 WeakPolarHBondContact O-CA 3.47Å; E238-K351 WeakPolarHBondContact OE2-CD 3.33Å; E238-K351 WeakPolarHBondContact OE2-CE 3.24Å; E238-K351 IonicContact OE2-NZ 3.87Å; E238-K351 PolarHBondContact OE2-NZ 3.14Å; P348-K351 WeakPolarHBondContact O-CB 3.47Å; P348-K351 PolarHBondContact O-N 3.15Å; F349-K351 PolarHBondContact O-N 2.75Å; K351-L353 VanDerWaalsContact C-N 3.31Å; K351-L353 PolarHBondContact O-N 3.33Å
352Y94.4Very high92.8Very high78 Ų7837.5 Ų37.531%0.30618%0.181SC..G310 helixtrans-85.12.4-178.3-70.7-83.1000114S222 Y223 V350 P354S222-Y352 WeakPolarHBondContact CB-O 3.47Å; S222-Y352 PolarHBondContact OG-O 3.42Å; Y223-Y352 HydrophobicContact CD2-CD1 4.32Å; Y223-Y352 AromaticContact CD2-CD2 3.93Å; Y223-Y352 HydrophobicContact CD2-CD2 3.93Å; Y223-Y352 HydrophobicContact CD2-CE1 4.15Å; Y223-Y352 AromaticContact CD2-CE2 3.75Å; Y223-Y352 HydrophobicContact CD2-CE2 3.75Å; Y223-Y352 HydrophobicContact CD2-CG 4.21Å; Y223-Y352 AromaticContact CD2-CZ 3.87Å; Y223-Y352 HydrophobicContact CE2-CE2 4.2Å; V350-Y352 VanDerWaalsContact C-N 3.26Å; V350-Y352 PolarHBondContact O-N 3.36Å; Y352-P354 VanDerWaalsContact O-CD 3.3Å; Y352-P354 WeakPolarHBondContact O-CD 3.26Å
353L96.1Very high93Very high0 Ų037.2 Ų37.20%018%0.178CC..  trans-64.2124.9-179.3177.761.9000110.6V215 T219 I235 V236 V350 K351 K355 V357 L358V215-L353 HydrophobicContact CB-CD1 4.46Å; V215-L353 HydrophobicContact CG1-CD1 4.02Å; V215-L353 HydrophobicContact CG1-CD2 3.96Å; V215-L353 HydrophobicContact CG2-CD1 4.44Å; T219-L353 WeakPolarHBondContact OG1-CD1 3.14Å; I235-L353 CarbonylContact C-O 3.45Å; I235-L353 WeakPolarHBondContact CA-O 3.32Å; V236-L353 HydrophobicContact CG2-CB 3.99Å; V236-L353 HydrophobicContact CG2-CD2 4.19Å; V236-L353 HydrophobicContact CG2-CG 4.21Å; V236-L353 WeakPolarHBondContact CG2-O 3.46Å; V236-L353 PolarHBondContact N-O 2.95Å; V350-L353 HydrophobicContact CB-CB 4.28Å; V350-L353 HydrophobicContact CB-CD2 4.42Å; V350-L353 WeakPolarHBondContact O-CB 3.36Å; V350-L353 PolarHBondContact O-N 2.99Å; K351-L353 VanDerWaalsContact C-N 3.31Å; K351-L353 PolarHBondContact O-N 3.33Å; L353-K355 PolarHBondContact O-N 3.07Å; L353-V357 HydrophobicContact CD1-CB 4.06Å; L353-V357 HydrophobicContact CD1-CG1 4.02Å; L353-V357 HydrophobicContact CD1-CG2 4.47Å; L353-L358 HydrophobicContact CD2-CD1 4.17Å; L353-L358 HydrophobicContact CD2-CD2 3.87Å; L353-L358 HydrophobicContact CD2-CG 3.96Å
354P97.2Very high93.2Very high0 Ų038 Ų380%018%0.184CC..BIsolated β-bridgetrans-65.2133.8173.5-25.236.9000112.4L227 V233 Y352 C356 V357L227-P354 HydrophobicContact CD1-CG 4.18Å; V233-P354 HydrophobicContact CG1-CB 3.86Å; V233-P354 HydrophobicContact CG1-CG 4.38Å; Y352-P354 VanDerWaalsContact O-CD 3.3Å; Y352-P354 WeakPolarHBondContact O-CD 3.26Å; P354-C356 PolarHBondContact O-N 3.38Å; P354-V357 HydrophobicContact CB-CG2 4.12Å; P354-V357 HydrophobicContact CG-CG2 4.42Å; P354-V357 WeakPolarHBondContact O-CB 3.33Å; P354-V357 PolarHBondContact O-N 3.35Å; P354-V357 VanDerWaalsContact O-N 3.09Å
355K95.4Very high93.2Very high70 Ų7036.5 Ų36.530%0.30418%0.181SC..Hα-helixtrans-61.1-28.4177.4-72.2-176.9179.3163.60112.6D234 I235 L353 V357 L358 A359D234-K355 HydrophobicContact CB-CD 4.16Å; D234-K355 WeakPolarHBondContact O-CB 3.47Å; D234-K355 PolarHBondContact O-N 2.94Å; I235-K355 WeakPolarHBondContact O-CE 3.38Å; L353-K355 PolarHBondContact O-N 3.07Å; K355-V357 PolarHBondContact O-N 3.26Å; K355-L358 WeakPolarHBondContact O-CB 3.2Å; K355-L358 PolarHBondContact O-N 3.22Å; K355-L358 VanDerWaalsContact O-N 3.16Å; K355-A359 PolarHBondContact O-N 3.42Å
356C96.8Very high93.3Very high1 Ų130.9 Ų30.91%0.00716%0.157CC..Hα-helixtrans-63.7-28176.666.50000113.3S144 T178 P354 A359 A360S144-C356 WeakPolarHBondContact O-CA 3.24Å; S144-C356 WeakPolarHBondContact O-CB 3.36Å; T178-C356 HydrophobicContact CG2-CB 3.52Å; P354-C356 PolarHBondContact O-N 3.38Å; C356-A359 PolarHBondContact O-N 3.37Å; C356-A360 VanDerWaalsContact O-CB 3.29Å; C356-A360 WeakPolarHBondContact O-CB 3.44Å; C356-A360 PolarHBondContact O-N 3.48Å
357V97.1Very high93.4Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-69.4-37.8175.3176.20000110.7T181 V214 V215 C218 L353 P354 K355 T361T181-V357 HydrophobicContact CG2-CG2 4.36Å; V214-V357 HydrophobicContact CG1-CG1 4.28Å; V215-V357 HydrophobicContact CG2-CG1 4.28Å; C218-V357 HydrophobicContact CB-CG1 4.44Å; C218-V357 HydrophobicContact CB-CG2 3.72Å; L353-V357 HydrophobicContact CD1-CB 4.06Å; L353-V357 HydrophobicContact CD1-CG1 4.02Å; L353-V357 HydrophobicContact CD1-CG2 4.47Å; P354-V357 HydrophobicContact CB-CG2 4.12Å; P354-V357 HydrophobicContact CG-CG2 4.42Å; P354-V357 WeakPolarHBondContact O-CB 3.33Å; P354-V357 PolarHBondContact O-N 3.35Å; P354-V357 VanDerWaalsContact O-N 3.09Å; K355-V357 PolarHBondContact O-N 3.26Å; V357-T361 PolarHBondContact O-N 3.49Å; V357-T361 PolarHBondContact O-OG1 3.15Å
358L94.9Very high93.4Very high11 Ų1135 Ų356%0.05818%0.18CC..Hα-helixtrans-67.4-43174.6-65.2167.2000111.1M1 A2 I5 V236 L353 K355 T361 I362M1-L358 HydrophobicContact CB-CD2 4.27Å; A2-L358 HydrophobicContact CB-CB 3.89Å; A2-L358 HydrophobicContact CB-CD2 3.95Å; A2-L358 HydrophobicContact CB-CG 4.49Å; I5-L358 HydrophobicContact CD1-CD1 3.49Å; I5-L358 VanDerWaalsContact CD1-CD1 3.49Å; V236-L358 HydrophobicContact CG2-CD1 3.54Å; L353-L358 HydrophobicContact CD2-CD1 4.17Å; L353-L358 HydrophobicContact CD2-CD2 3.87Å; L353-L358 HydrophobicContact CD2-CG 3.96Å; K355-L358 WeakPolarHBondContact O-CB 3.2Å; K355-L358 PolarHBondContact O-N 3.22Å; K355-L358 VanDerWaalsContact O-N 3.16Å; L358-T361 WeakPolarHBondContact O-CB 3.34Å; L358-T361 PolarHBondContact O-N 3.09Å; L358-I362 PolarHBondContact O-N 3.29Å
359A95.6Very high93.4Very high1 Ų133.6 Ų33.61%0.00817%0.17CC..Hα-helixtrans-60.8-47.5174.400000111.6Q141 K355 C356 T361 I362 L363Q141-A359 HydrophobicContact CB-CB 4.23Å; K355-A359 PolarHBondContact O-N 3.42Å; C356-A359 PolarHBondContact O-N 3.37Å; A359-T361 VanDerWaalsContact C-N 3.28Å; A359-T361 PolarHBondContact O-N 3.2Å; A359-I362 PolarHBondContact O-N 3.29Å; A359-I362 VanDerWaalsContact O-N 3.11Å; A359-L363 VanDerWaalsContact O-CG 3.3Å; A359-L363 WeakPolarHBondContact O-CG 3.31Å; A359-L363 PolarHBondContact O-N 3.43Å
360A97.2Very high93.6Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-55.2-42.4173.700000112.4C185 I186 C356 I362 L363 V364C185-A360 HydrophobicContact CB-CB 3.91Å; C185-A360 VanDerWaalsContact SG-CB 3.58Å; I186-A360 HydrophobicContact CD1-CB 4.35Å; I186-A360 HydrophobicContact CG1-CB 3.59Å; C356-A360 VanDerWaalsContact O-CB 3.29Å; C356-A360 WeakPolarHBondContact O-CB 3.44Å; C356-A360 PolarHBondContact O-N 3.48Å; A360-I362 PolarHBondContact O-N 2.87Å; A360-L363 PolarHBondContact O-N 2.84Å; A360-V364 WeakPolarHBondContact O-CG2 3.27Å; A360-V364 PolarHBondContact O-N 3.01Å
361T93.9Very high93.8Very high32 Ų3229.8 Ų29.820%0.19616%0.155CC..Hα-helixtrans-62-43.3176.6-56.60000111.6E211 V357 L358 A359 A365E211-T361 HydrophobicContact CG-CG2 4.34Å; V357-T361 PolarHBondContact O-N 3.49Å; V357-T361 PolarHBondContact O-OG1 3.15Å; L358-T361 WeakPolarHBondContact O-CB 3.34Å; L358-T361 PolarHBondContact O-N 3.09Å; A359-T361 VanDerWaalsContact C-N 3.28Å; A359-T361 PolarHBondContact O-N 3.2Å; T361-A365 WeakPolarHBondContact O-CB 3.24Å; T361-A365 PolarHBondContact O-N 3.24Å; T361-A365 VanDerWaalsContact O-N 3.09Å
362I93Very high93.7Very high2 Ų227.6 Ų27.61%0.0115%0.146CC..Hα-helixtrans-62.6-49.3174.5-69.2173000110.2A2 Y3 L6 V137 Q141 L358 A359 A360 V364 A365 L366A2-I362 HydrophobicContact CB-CD1 3.56Å; A2-I362 HydrophobicContact CB-CG1 3.74Å; Y3-I362 HydrophobicContact CD1-CD1 4.07Å; Y3-I362 HydrophobicContact CD1-CG1 4.19Å; Y3-I362 HydrophobicContact CE1-CD1 4.3Å; Y3-I362 HydrophobicContact CE1-CG1 3.92Å; L6-I362 HydrophobicContact CB-CD1 4.46Å; L6-I362 HydrophobicContact CD2-CD1 4.46Å; V137-I362 HydrophobicContact CG1-CG2 3.53Å; Q141-I362 HydrophobicContact CG-CB 4.09Å; Q141-I362 HydrophobicContact CG-CG2 3.73Å; L358-I362 PolarHBondContact O-N 3.29Å; A359-I362 PolarHBondContact O-N 3.29Å; A359-I362 VanDerWaalsContact O-N 3.11Å; A360-I362 PolarHBondContact O-N 2.87Å; I362-V364 VanDerWaalsContact C-N 3.31Å; I362-V364 PolarHBondContact O-N 3.45Å; I362-A365 CarbonylContact O-C 3.48Å; I362-A365 WeakPolarHBondContact O-CA 3.46Å; I362-A365 WeakPolarHBondContact O-CB 3.3Å; I362-A365 PolarHBondContact O-N 2.78Å; I362-L366 HydrophobicContact CG2-CD1 4.42Å; I362-L366 HydrophobicContact CG2-CG 4.34Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.49Å
363L95.2Very high93.8Very high28 Ų2827.1 Ų27.115%0.14715%0.149CC..Hα-helixtrans-56.3-43.5-179.1-68.8172.3000112.2L138 Q141 A145 I186 A359 A360 A365 L366L138-L363 HydrophobicContact CB-CD2 4.43Å; L138-L363 HydrophobicContact CD1-CD2 3.46Å; L138-L363 VanDerWaalsContact CD1-CD2 3.46Å; L138-L363 HydrophobicContact CG-CD2 3.99Å; Q141-L363 HydrophobicContact CB-CD2 3.94Å; Q141-L363 HydrophobicContact CB-CG 4.11Å; Q141-L363 HydrophobicContact CG-CD2 4.45Å; A145-L363 HydrophobicContact CB-CD1 4.26Å; I186-L363 HydrophobicContact CD1-CB 4.48Å; I186-L363 HydrophobicContact CD1-CD1 3.78Å; A359-L363 VanDerWaalsContact O-CG 3.3Å; A359-L363 WeakPolarHBondContact O-CG 3.31Å; A359-L363 PolarHBondContact O-N 3.43Å; A360-L363 PolarHBondContact O-N 2.84Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.83Å; L363-L366 HydrophobicContact CD2-CD1 4.44Å; L363-L366 PolarHBondContact O-N 2.94Å
364V93.5Very high93.8Very high18 Ų1836.3 Ų36.311%0.10918%0.183CC..Hα-helixtrans-65.7-36.6175.2173.50000111.6I186 L189 K193 A360 I362 L366 R367I186-V364 HydrophobicContact CB-CG2 4.38Å; I186-V364 HydrophobicContact CG1-CG2 4.41Å; I186-V364 HydrophobicContact CG2-CG2 4.09Å; L189-V364 HydrophobicContact CB-CG1 4.26Å; L189-V364 HydrophobicContact CB-CG2 4.01Å; L189-V364 HydrophobicContact CD1-CG2 4.42Å; K193-V364 HydrophobicContact CD-CG1 4.2Å; A360-V364 WeakPolarHBondContact O-CG2 3.27Å; A360-V364 PolarHBondContact O-N 3.01Å; I362-V364 VanDerWaalsContact C-N 3.31Å; I362-V364 PolarHBondContact O-N 3.45Å; V364-L366 VanDerWaalsContact C-N 3.31Å; V364-L366 PolarHBondContact O-N 3.28Å; V364-R367 WeakPolarHBondContact O-CB 3.5Å; V364-R367 PolarHBondContact O-N 3.23Å
365A90Very high93.6Very high40 Ų4043.3 Ų43.333%0.33121%0.21SC..Hα-helixtrans-67.4-28.817700000113.1T361 I362 L363 R367T361-A365 WeakPolarHBondContact O-CB 3.24Å; T361-A365 PolarHBondContact O-N 3.24Å; T361-A365 VanDerWaalsContact O-N 3.09Å; I362-A365 CarbonylContact O-C 3.48Å; I362-A365 WeakPolarHBondContact O-CA 3.46Å; I362-A365 WeakPolarHBondContact O-CB 3.3Å; I362-A365 PolarHBondContact O-N 2.78Å; L363-A365 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 2.83Å; A365-R367 PolarHBondContact O-N 3.29Å
366L92.5Very high93.6Very high2 Ų241.1 Ų41.11%0.0120%0.201CC..Hα-helixtrans-68.4-19.2178.5-65.5177.6000113.8A134 V137 L138 I362 L363 V364 G368 M369 L370A134-L366 HydrophobicContact CB-CD2 4.07Å; A134-L366 WeakPolarHBondContact O-CD1 3.48Å; V137-L366 HydrophobicContact CB-CD1 4.09Å; V137-L366 HydrophobicContact CB-CD2 4.04Å; V137-L366 HydrophobicContact CG1-CD1 3.95Å; V137-L366 HydrophobicContact CG1-CD2 3.97Å; V137-L366 HydrophobicContact CG1-CG 4.39Å; L138-L366 HydrophobicContact CB-CD1 3.95Å; L138-L366 HydrophobicContact CD1-CD1 4.41Å; I362-L366 HydrophobicContact CG2-CD1 4.42Å; I362-L366 HydrophobicContact CG2-CG 4.34Å; I362-L366 WeakPolarHBondContact O-CG 3.43Å; I362-L366 PolarHBondContact O-N 3.49Å; L363-L366 HydrophobicContact CD2-CD1 4.44Å; L363-L366 PolarHBondContact O-N 2.94Å; V364-L366 VanDerWaalsContact C-N 3.31Å; V364-L366 PolarHBondContact O-N 3.28Å; L366-G368 PolarHBondContact O-N 3.25Å; L366-G368 VanDerWaalsContact O-N 3.12Å; L366-M369 HydrophobicContact CD2-SD 4.29Å; L366-M369 PolarHBondContact O-N 3.21Å; L366-L370 HydrophobicContact CB-CD1 4.27Å; L366-L370 PolarHBondContact O-N 2.9Å
367R91.7Very high93.6Very high120 Ų12045 Ų4545%0.45323%0.226SC..Hα-helixtrans-47.8-45.4-178.2-179.6-177.3-179.6-889.7112.7V364 A365 M369 L370 L371V364-R367 WeakPolarHBondContact O-CB 3.5Å; V364-R367 PolarHBondContact O-N 3.23Å; A365-R367 PolarHBondContact O-N 3.29Å; R367-M369 VanDerWaalsContact C-N 3.32Å; R367-M369 PolarHBondContact O-N 3.01Å; R367-L370 PolarHBondContact O-N 3.24Å; R367-L371 HydrophobicContact CG-CD1 3.84Å; R367-L371 HydrophobicContact CG-CG 4.25Å; R367-L371 WeakPolarHBondContact O-CB 3.31Å; R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 2.68Å
368G85.6Confident93.6Very high44 Ų4452.5 Ų52.545%0.45426%0.259SS..Hα-helixtrans-62.9-37.2-177.800000113.4L366L366-G368 PolarHBondContact O-N 3.25Å; L366-G368 VanDerWaalsContact O-N 3.12Å
369M89.7Confident93.6Very high19 Ų1953.2 Ų53.29%0.09426%0.262CS..Hα-helixtrans-74.8-42.6178.7-61.8167.47400110.7F39 V41 T130 A134 L366 R367 L371 Q372F39-M369 HydrophobicContact CZ-CE 4.18Å; F39-M369 HydrophobicContact CZ-SD 4.12Å; V41-M369 HydrophobicContact CG2-CE 3.56Å; T130-M369 HydrophobicContact CG2-CE 4.32Å; T130-M369 WeakPolarHBondContact O-CE 3.48Å; A134-M369 HydrophobicContact CB-CB 3.8Å; A134-M369 HydrophobicContact CB-CE 4.22Å; A134-M369 HydrophobicContact CB-SD 4.45Å; L366-M369 HydrophobicContact CD2-SD 4.29Å; L366-M369 PolarHBondContact O-N 3.21Å; R367-M369 VanDerWaalsContact C-N 3.32Å; R367-M369 PolarHBondContact O-N 3.01Å; M369-L371 VanDerWaalsContact C-N 3.31Å; M369-L371 PolarHBondContact O-N 3.39Å; M369-Q372 VanDerWaalsContact O-CB 3.3Å; M369-Q372 WeakPolarHBondContact O-CB 3.45Å; M369-Q372 VanDerWaalsContact O-CG 3.29Å; M369-Q372 WeakPolarHBondContact O-CG 3.47Å; M369-Q372 PolarHBondContact O-N 3.42Å
370L94.1Very high93.7Very high44 Ų4459.4 Ų59.423%0.2329%0.286CS..Hα-helixtrans-66.5-31.2177.7-65.4174.1000113A134 I135 L366 R367 Q372 L373A134-L370 HydrophobicContact CB-CD2 3.84Å; A134-L370 HydrophobicContact CB-CG 4.16Å; I135-L370 HydrophobicContact CD1-CD2 3.57Å; I135-L370 HydrophobicContact CG1-CD2 4.18Å; L366-L370 HydrophobicContact CB-CD1 4.27Å; L366-L370 PolarHBondContact O-N 2.9Å; R367-L370 PolarHBondContact O-N 3.24Å; L370-Q372 PolarHBondContact O-N 3.4Å; L370-Q372 VanDerWaalsContact O-N 3.17Å; L370-L373 WeakPolarHBondContact O-CB 3.29Å; L370-L373 WeakPolarHBondContact O-CD1 3.44Å; L370-L373 PolarHBondContact O-N 2.88Å
371L92.7Very high93.7Very high47 Ų4768 Ų6825%0.24632%0.323CS..G310 helixtrans-67-12.4177.5-77.5175000113.9R367 M369 L373 R374R367-L371 HydrophobicContact CG-CD1 3.84Å; R367-L371 HydrophobicContact CG-CG 4.25Å; R367-L371 WeakPolarHBondContact O-CB 3.31Å; R367-L371 WeakPolarHBondContact O-CG 3.37Å; R367-L371 PolarHBondContact O-N 2.68Å; M369-L371 VanDerWaalsContact C-N 3.31Å; M369-L371 PolarHBondContact O-N 3.39Å; L371-L373 PolarHBondContact O-N 3.05Å; L371-R374 HydrophobicContact CD2-CG 4.4Å; L371-R374 VanDerWaalsContact CD2-NH1 3.35Å; L371-R374 WeakPolarHBondContact O-CB 3.47Å; L371-R374 PolarHBondContact O-N 2.66Å; L371-R374 VanDerWaalsContact O-N 3.07Å
372Q92.3Very high93.8Very high23 Ų2371 Ų7111%0.10735%0.345CS..G310 helixtrans-61.8-27.1173.5-63.7175.67.700112E127 T130 M369 L370 R374 R375E127-Q372 PolarHBondContact O-OE1 2.79Å; T130-Q372 PolarHBondContact OG1-OE1 2.7Å; M369-Q372 VanDerWaalsContact O-CB 3.3Å; M369-Q372 WeakPolarHBondContact O-CB 3.45Å; M369-Q372 VanDerWaalsContact O-CG 3.29Å; M369-Q372 WeakPolarHBondContact O-CG 3.47Å; M369-Q372 PolarHBondContact O-N 3.42Å; L370-Q372 PolarHBondContact O-N 3.4Å; L370-Q372 VanDerWaalsContact O-N 3.17Å; Q372-R374 PolarHBondContact O-N 2.96Å; Q372-R374 VanDerWaalsContact O-N 3.08Å; Q372-R375 WeakPolarHBondContact O-CB 3.28Å; Q372-R375 PolarHBondContact O-N 3.42Å
373L95Very high93.9Very high68 Ų6872.2 Ų72.236%0.35635%0.353SS..G310 helixtrans-52.6-30.7171.2-79.1157.2000113L370 L371 R375 L376 W390L370-L373 WeakPolarHBondContact O-CB 3.29Å; L370-L373 WeakPolarHBondContact O-CD1 3.44Å; L370-L373 PolarHBondContact O-N 2.88Å; L371-L373 PolarHBondContact O-N 3.05Å; L373-R375 PolarHBondContact O-N 2.81Å; L373-L376 HydrophobicContact CD2-CD1 3.92Å; L373-L376 WeakPolarHBondContact O-CB 3.4Å; L373-L376 PolarHBondContact O-N 3.02Å; L373-W390 HydrophobicContact CD2-CH2 3.46Å; L373-W390 VanDerWaalsContact CD2-CH2 3.46Å; L373-W390 HydrophobicContact CD2-CZ2 4.26Å; L373-W390 HydrophobicContact CD2-CZ3 4.2Å; L373-W390 HydrophobicContact CG-CH2 4.05Å; L373-W390 HydrophobicContact CG-CZ2 4.44Å
374R96.1Very high93.8Very high193 Ų19377.3 Ų77.373%0.72837%0.374SS*.G310 helixtrans-68.3-15.2178.6-64.5-173.3176.4166.5-0.9113.5L371 Q372 P377L371-R374 HydrophobicContact CD2-CG 4.4Å; L371-R374 VanDerWaalsContact CD2-NH1 3.35Å; L371-R374 WeakPolarHBondContact O-CB 3.47Å; L371-R374 PolarHBondContact O-N 2.66Å; L371-R374 VanDerWaalsContact O-N 3.07Å; Q372-R374 PolarHBondContact O-N 2.96Å; Q372-R374 VanDerWaalsContact O-N 3.08Å; R374-P377 WeakPolarHBondContact O-CD 3.48Å
375R92.8Very high93.9Very high147 Ų14778.9 Ų78.956%0.55539%0.385SS*.G310 helixtrans-81.7-18.9178.1-59.7179.3178.2-177.1-2.3112.5E127 Q372 L373 K378 L379E127-R375 IonicContact OE1-CZ 2.86Å; E127-R375 IonicContact OE1-NH1 3.02Å; E127-R375 PolarHBondContact OE1-NH1 2.78Å; Q372-R375 WeakPolarHBondContact O-CB 3.28Å; Q372-R375 PolarHBondContact O-N 3.42Å; L373-R375 PolarHBondContact O-N 2.81Å; R375-K378 PolarHBondContact O-N 3.02Å; R375-K378 VanDerWaalsContact O-N 3.17Å; R375-L379 PolarHBondContact O-N 2.93Å
376L96.2Very high94.1Very high23 Ų2379.3 Ų79.312%0.1238%0.381CS..Hα-helixtrans-56.5-44-175.1-74.4-177.7000115.6L373 K378 L379 W380 F387 W390 I391L373-L376 HydrophobicContact CD2-CD1 3.92Å; L373-L376 WeakPolarHBondContact O-CB 3.4Å; L373-L376 PolarHBondContact O-N 3.02Å; L376-K378 PolarHBondContact O-N 3.12Å; L376-L379 HydrophobicContact CD2-CD2 4.36Å; L376-L379 PolarHBondContact O-N 3.3Å; L376-L379 VanDerWaalsContact O-N 3.11Å; L376-W380 PolarHBondContact O-N 3.4Å; L376-F387 HydrophobicContact CB-CE2 4.21Å; L376-F387 HydrophobicContact CD2-CD2 3.99Å; L376-F387 HydrophobicContact CD2-CE2 3.96Å; L376-W390 HydrophobicContact CD1-CE3 3.95Å; L376-W390 HydrophobicContact CD1-CH2 3.86Å; L376-W390 HydrophobicContact CD1-CZ2 4.42Å; L376-W390 HydrophobicContact CD1-CZ3 3.58Å; L376-W390 HydrophobicContact CD2-CB 4.41Å; L376-W390 HydrophobicContact CD2-CD2 3.49Å; L376-W390 VanDerWaalsContact CD2-CD2 3.49Å; L376-W390 HydrophobicContact CD2-CE3 3.5Å; L376-W390 VanDerWaalsContact CD2-CE3 3.5Å; L376-W390 HydrophobicContact CD2-CG 3.89Å; L376-W390 HydrophobicContact CD2-CH2 4.47Å; L376-W390 HydrophobicContact CD2-CZ2 4.42Å; L376-W390 HydrophobicContact CD2-CZ3 4.03Å; L376-W390 HydrophobicContact CG-CD2 4.34Å; L376-W390 HydrophobicContact CG-CE3 4.19Å; L376-W390 HydrophobicContact CG-CH2 4.35Å; L376-W390 HydrophobicContact CG-CZ2 4.44Å; L376-W390 HydrophobicContact CG-CZ3 4.21Å; L376-I391 HydrophobicContact CD1-CD1 4.2Å
377P97.5Very high94.4Very high82 Ų8280.8 Ų80.853%0.53239%0.388SS..Hα-helixtrans-62.5-33.5180-23.935.5000112.6R374 K381R374-P377 WeakPolarHBondContact O-CD 3.48Å; P377-K381 WeakPolarHBondContact O-CG 3.46Å
378K96.4Very high94.6Very high159 Ų15979 Ų7969%0.69139%0.387SS*.Hα-helixtrans-71.9-43.5174.3-174.6177.7178.9-179.90110.5R375 L376 W380 K381 C382R375-K378 PolarHBondContact O-N 3.02Å; R375-K378 VanDerWaalsContact O-N 3.17Å; L376-K378 PolarHBondContact O-N 3.12Å; K378-W380 PolarHBondContact O-N 3.49Å; K378-K381 PolarHBondContact O-N 3.25Å; K378-C382 PolarHBondContact O-N 3.44Å; K378-C382 PolarHBondContact O-SG 3.31Å; K378-C382 VanDerWaalsContact O-SG 3.36Å
379L95.8Very high95.2Very high25 Ų2577.3 Ų77.313%0.13137%0.367CS..Hα-helixtrans-59.9-44.4179.9-169.960.9000111.9Q124 R375 L376 K381 C382 S383 D386 F387 W390Q124-L379 HydrophobicContact CG-CD1 4.05Å; Q124-L379 HydrophobicContact CG-CD2 3.94Å; R375-L379 PolarHBondContact O-N 2.93Å; L376-L379 HydrophobicContact CD2-CD2 4.36Å; L376-L379 PolarHBondContact O-N 3.3Å; L376-L379 VanDerWaalsContact O-N 3.11Å; L379-K381 VanDerWaalsContact C-N 3.29Å; L379-K381 PolarHBondContact O-N 3.27Å; L379-C382 PolarHBondContact O-N 3.01Å; L379-S383 CarbonylContact O-C 3.55Å; L379-S383 PolarHBondContact O-N 3.04Å; L379-D386 HydrophobicContact CD1-CB 3.92Å; L379-F387 HydrophobicContact CD2-CB 4.32Å; L379-F387 HydrophobicContact CG-CB 4.03Å; L379-W390 HydrophobicContact CD2-CB 4.01Å; L379-W390 HydrophobicContact CD2-CG 4.38Å
380W97.5Very high95.5Very high132 Ų13276.5 Ų76.550%0.536%0.363SS..Hα-helixtrans-56-41.5174.9176.4-99000113.1L376 K378 F387L376-W380 PolarHBondContact O-N 3.4Å; K378-W380 PolarHBondContact O-N 3.49Å; W380-F387 HydrophobicContact CB-CD2 3.83Å; W380-F387 HydrophobicContact CB-CE2 4.09Å; W380-F387 HydrophobicContact CB-CG 4.29Å; W380-F387 HydrophobicContact CE3-CB 4.43Å; W380-F387 AromaticContact CE3-CD1 3.32Å; W380-F387 HydrophobicContact CE3-CD1 3.32Å; W380-F387 HydrophobicContact CE3-CD2 4.15Å; W380-F387 AromaticContact CE3-CE1 3.37Å; W380-F387 HydrophobicContact CE3-CE1 3.37Å; W380-F387 HydrophobicContact CE3-CE2 4.2Å; W380-F387 AromaticContact CE3-CG 3.71Å; W380-F387 HydrophobicContact CE3-CG 3.71Å; W380-F387 AromaticContact CE3-CZ 3.83Å; W380-F387 HydrophobicContact CE3-CZ 3.83Å; W380-F387 AromaticContact CZ3-CD1 3.68Å; W380-F387 HydrophobicContact CZ3-CD1 3.68Å; W380-F387 AromaticContact CZ3-CE1 3.6Å; W380-F387 HydrophobicContact CZ3-CE1 3.6Å; W380-F387 HydrophobicContact CZ3-CG 4.49Å; W380-F387 HydrophobicContact CZ3-CZ 4.37Å
381K97.3Very high95.7Very high179 Ų17976.9 Ų76.978%0.77837%0.365SS*.Hα-helixtrans-73.1-30.3-179.8-68.9179.3-178.2-1730112.7P377 K378 L379P377-K381 WeakPolarHBondContact O-CG 3.46Å; K378-K381 PolarHBondContact O-N 3.25Å; L379-K381 VanDerWaalsContact C-N 3.29Å; L379-K381 PolarHBondContact O-N 3.27Å
382C94.8Very high96Very high97 Ų9776.5 Ų76.566%0.65536%0.364SS*.Hα-helixtrans-88.5-47.3-176.7-66.90000113.2K378 L379K378-C382 PolarHBondContact O-N 3.44Å; K378-C382 PolarHBondContact O-SG 3.31Å; K378-C382 VanDerWaalsContact O-SG 3.36Å; L379-C382 PolarHBondContact O-N 3.01Å
383S94.4Very high96.2Very high27 Ų2775.4 Ų75.419%0.18936%0.359CS..  trans-151.7104.4-173.5178.50000110.2L379 D386 F387L379-S383 CarbonylContact O-C 3.55Å; L379-S383 PolarHBondContact O-N 3.04Å; S383-D386 WeakPolarHBondContact CB-OD2 3.47Å; S383-D386 PolarHBondContact O-N 3.08Å; S383-D386 WeakPolarHBondContact OG-CB 3.45Å; S383-D386 PolarHBondContact OG-N 3.34Å; S383-D386 PolarHBondContact OG-OD2 3.1Å; S383-F387 WeakPolarHBondContact O-CB 3.4Å; S383-F387 PolarHBondContact O-N 3.32Å
384K95Very high96.3Very high134 Ų13473.9 Ų73.958%0.58335%0.35SS*.Hα-helixtrans-60.4-42.4176.3-63.2179.8-177.8173.40112.5D386 F387 L388K384-D386 PolarHBondContact O-N 3.38Å; K384-F387 WeakPolarHBondContact O-CB 3.15Å; K384-F387 PolarHBondContact O-N 3.39Å; K384-L388 WeakPolarHBondContact O-CG 3.42Å; K384-L388 PolarHBondContact O-N 2.86Å
385P94.1Very high96.3Very high51 Ų5167.2 Ų67.233%0.33133%0.332SS..Hα-helixtrans-60.8-44.4177.1-2435.1000112.7F387 L388 I389 T416P385-F387 VanDerWaalsContact C-N 3.31Å; P385-F387 PolarHBondContact O-N 3.25Å; P385-L388 PolarHBondContact O-N 3.4Å; P385-L388 VanDerWaalsContact O-N 3.14Å; P385-I389 WeakPolarHBondContact O-CG1 3.38Å; P385-I389 PolarHBondContact O-N 3.14Å; P385-T416 HydrophobicContact CB-CG2 3.91Å
386D95.3Very high96.5Very high49 Ų4960.4 Ų60.426%0.26231%0.307SS..Hα-helixtrans-67.6-35.3-179.9-61.2-26.4000111.7Q124 L379 S383 K384 I389 W390Q124-D386 HydrophobicContact CG-CB 3.96Å; L379-D386 HydrophobicContact CD1-CB 3.92Å; S383-D386 WeakPolarHBondContact CB-OD2 3.47Å; S383-D386 PolarHBondContact O-N 3.08Å; S383-D386 WeakPolarHBondContact OG-CB 3.45Å; S383-D386 PolarHBondContact OG-N 3.34Å; S383-D386 PolarHBondContact OG-OD2 3.1Å; K384-D386 PolarHBondContact O-N 3.38Å; D386-I389 PolarHBondContact O-N 3.29Å; D386-W390 PolarHBondContact O-N 3.09Å
387F97.6Very high96.5Very high34 Ų3459.3 Ų59.315%0.14930%0.302CS..Hα-helixtrans-60.7-44.3170.5174.1-88.1000112.1L376 L379 W380 S383 K384 P385 W390 I391L376-F387 HydrophobicContact CB-CE2 4.21Å; L376-F387 HydrophobicContact CD2-CD2 3.99Å; L376-F387 HydrophobicContact CD2-CE2 3.96Å; L379-F387 HydrophobicContact CD2-CB 4.32Å; L379-F387 HydrophobicContact CG-CB 4.03Å; W380-F387 HydrophobicContact CB-CD2 3.83Å; W380-F387 HydrophobicContact CB-CE2 4.09Å; W380-F387 HydrophobicContact CB-CG 4.29Å; W380-F387 HydrophobicContact CE3-CB 4.43Å; W380-F387 AromaticContact CE3-CD1 3.32Å; W380-F387 HydrophobicContact CE3-CD1 3.32Å; W380-F387 HydrophobicContact CE3-CD2 4.15Å; W380-F387 AromaticContact CE3-CE1 3.37Å; W380-F387 HydrophobicContact CE3-CE1 3.37Å; W380-F387 HydrophobicContact CE3-CE2 4.2Å; W380-F387 AromaticContact CE3-CG 3.71Å; W380-F387 HydrophobicContact CE3-CG 3.71Å; W380-F387 AromaticContact CE3-CZ 3.83Å; W380-F387 HydrophobicContact CE3-CZ 3.83Å; W380-F387 AromaticContact CZ3-CD1 3.68Å; W380-F387 HydrophobicContact CZ3-CD1 3.68Å; W380-F387 AromaticContact CZ3-CE1 3.6Å; W380-F387 HydrophobicContact CZ3-CE1 3.6Å; W380-F387 HydrophobicContact CZ3-CG 4.49Å; W380-F387 HydrophobicContact CZ3-CZ 4.37Å; S383-F387 WeakPolarHBondContact O-CB 3.4Å; S383-F387 PolarHBondContact O-N 3.32Å; K384-F387 WeakPolarHBondContact O-CB 3.15Å; K384-F387 PolarHBondContact O-N 3.39Å; P385-F387 VanDerWaalsContact C-N 3.31Å; P385-F387 PolarHBondContact O-N 3.25Å; F387-W390 WeakPolarHBondContact O-CB 3.43Å; F387-W390 PolarHBondContact O-N 2.75Å; F387-I391 HydrophobicContact CD1-CG1 4.05Å; F387-I391 HydrophobicContact CE1-CD1 4.37Å; F387-I391 HydrophobicContact CE1-CG1 3.6Å; F387-I391 HydrophobicContact CE2-CD1 4.35Å; F387-I391 HydrophobicContact CE2-CG1 4.14Å; F387-I391 HydrophobicContact CZ-CD1 3.94Å; F387-I391 HydrophobicContact CZ-CG1 3.65Å; F387-I391 WeakPolarHBondContact O-CG1 3.4Å; F387-I391 PolarHBondContact O-N 2.92Å
388L97.2Very high96.4Very high81 Ų8157 Ų5742%0.42428%0.284SS..Hα-helixtrans-64.7-41.9178-70.4174.6000111.6K384 P385 W390 I391 V392 F412K384-L388 WeakPolarHBondContact O-CG 3.42Å; K384-L388 PolarHBondContact O-N 2.86Å; P385-L388 PolarHBondContact O-N 3.4Å; P385-L388 VanDerWaalsContact O-N 3.14Å; L388-W390 VanDerWaalsContact C-N 3.28Å; L388-W390 PolarHBondContact O-N 3.49Å; L388-I391 PolarHBondContact O-N 2.81Å; L388-V392 WeakPolarHBondContact O-CB 3.4Å; L388-V392 WeakPolarHBondContact O-CG2 3.5Å; L388-V392 PolarHBondContact O-N 3.06Å; L388-F412 HydrophobicContact CB-CE1 4.03Å; L388-F412 HydrophobicContact CB-CZ 4.01Å
389I96.9Very high96.3Very high9 Ų952.4 Ų52.45%0.04627%0.267CS..Hα-helixtrans-55.7-47.5174.1-70.3167.1000109.9L125 P385 D386 I391 S393 F412 V413 T416L125-I389 HydrophobicContact CB-CG2 3.99Å; P385-I389 WeakPolarHBondContact O-CG1 3.38Å; P385-I389 PolarHBondContact O-N 3.14Å; D386-I389 PolarHBondContact O-N 3.29Å; I389-I391 PolarHBondContact O-N 3.37Å; I389-S393 VanDerWaalsContact O-CB 3.3Å; I389-S393 WeakPolarHBondContact O-CB 3.19Å; I389-S393 PolarHBondContact O-N 3.44Å; I389-S393 PolarHBondContact O-OG 3.19Å; I389-F412 HydrophobicContact CG1-CD1 4.02Å; I389-F412 HydrophobicContact CG1-CE1 3.94Å; I389-V413 HydrophobicContact CD1-CG2 4.23Å; I389-V413 HydrophobicContact CG1-CG2 4.16Å; I389-V413 HydrophobicContact CG2-CG2 3.59Å; I389-T416 HydrophobicContact CD1-CG2 4.1Å; I389-T416 HydrophobicContact CG1-CG2 4.46Å
390W97.6Very high96.2Very high2 Ų254.5 Ų54.51%0.00828%0.275CS..Hα-helixtrans-59.1-49.6177.9-168.5102.3000111.8Q124 C131 L373 L376 L379 D386 F387 L388 S393 F394Q124-W390 HydrophobicContact CB-CB 4.32Å; C131-W390 HydrophobicContact CB-CH2 4.38Å; C131-W390 HydrophobicContact CB-CZ2 3.89Å; L373-W390 HydrophobicContact CD2-CH2 3.46Å; L373-W390 VanDerWaalsContact CD2-CH2 3.46Å; L373-W390 HydrophobicContact CD2-CZ2 4.26Å; L373-W390 HydrophobicContact CD2-CZ3 4.2Å; L373-W390 HydrophobicContact CG-CH2 4.05Å; L373-W390 HydrophobicContact CG-CZ2 4.44Å; L376-W390 HydrophobicContact CD1-CE3 3.95Å; L376-W390 HydrophobicContact CD1-CH2 3.86Å; L376-W390 HydrophobicContact CD1-CZ2 4.42Å; L376-W390 HydrophobicContact CD1-CZ3 3.58Å; L376-W390 HydrophobicContact CD2-CB 4.41Å; L376-W390 HydrophobicContact CD2-CD2 3.49Å; L376-W390 VanDerWaalsContact CD2-CD2 3.49Å; L376-W390 HydrophobicContact CD2-CE3 3.5Å; L376-W390 VanDerWaalsContact CD2-CE3 3.5Å; L376-W390 HydrophobicContact CD2-CG 3.89Å; L376-W390 HydrophobicContact CD2-CH2 4.47Å; L376-W390 HydrophobicContact CD2-CZ2 4.42Å; L376-W390 HydrophobicContact CD2-CZ3 4.03Å; L376-W390 HydrophobicContact CG-CD2 4.34Å; L376-W390 HydrophobicContact CG-CE3 4.19Å; L376-W390 HydrophobicContact CG-CH2 4.35Å; L376-W390 HydrophobicContact CG-CZ2 4.44Å; L376-W390 HydrophobicContact CG-CZ3 4.21Å; L379-W390 HydrophobicContact CD2-CB 4.01Å; L379-W390 HydrophobicContact CD2-CG 4.38Å; D386-W390 PolarHBondContact O-N 3.09Å; F387-W390 WeakPolarHBondContact O-CB 3.43Å; F387-W390 PolarHBondContact O-N 2.75Å; L388-W390 VanDerWaalsContact C-N 3.28Å; L388-W390 PolarHBondContact O-N 3.49Å; W390-S393 PolarHBondContact O-N 3.18Å; W390-F394 HydrophobicContact CE3-CB 3.86Å; W390-F394 HydrophobicContact CE3-CG 4.46Å; W390-F394 HydrophobicContact CH2-CB 3.87Å; W390-F394 HydrophobicContact CH2-CD1 4.29Å; W390-F394 AromaticContact CH2-CD2 3.72Å; W390-F394 HydrophobicContact CH2-CD2 3.72Å; W390-F394 HydrophobicContact CH2-CE2 4.33Å; W390-F394 AromaticContact CH2-CG 3.69Å; W390-F394 HydrophobicContact CH2-CG 3.69Å; W390-F394 HydrophobicContact CZ2-CD2 4.5Å; W390-F394 HydrophobicContact CZ3-CB 3.46Å; W390-F394 VanDerWaalsContact CZ3-CB 3.46Å; W390-F394 AromaticContact CZ3-CD1 3.94Å; W390-F394 HydrophobicContact CZ3-CD1 3.94Å; W390-F394 HydrophobicContact CZ3-CD2 4.11Å; W390-F394 AromaticContact CZ3-CG 3.57Å; W390-F394 HydrophobicContact CZ3-CG 3.57Å; W390-F394 WeakPolarHBondContact O-CB 3.3Å; W390-F394 PolarHBondContact O-N 3.31Å
391I98.1Very high95.8Very high53 Ų5349.3 Ų49.327%0.27226%0.257SS..Hα-helixtrans-64.8-45.8-176.4-69.9-71.4000111.4L376 F387 L388 I389 S393 F394 C395L376-I391 HydrophobicContact CD1-CD1 4.2Å; F387-I391 HydrophobicContact CD1-CG1 4.05Å; F387-I391 HydrophobicContact CE1-CD1 4.37Å; F387-I391 HydrophobicContact CE1-CG1 3.6Å; F387-I391 HydrophobicContact CE2-CD1 4.35Å; F387-I391 HydrophobicContact CE2-CG1 4.14Å; F387-I391 HydrophobicContact CZ-CD1 3.94Å; F387-I391 HydrophobicContact CZ-CG1 3.65Å; F387-I391 WeakPolarHBondContact O-CG1 3.4Å; F387-I391 PolarHBondContact O-N 2.92Å; L388-I391 PolarHBondContact O-N 2.81Å; I389-I391 PolarHBondContact O-N 3.37Å; I391-S393 VanDerWaalsContact C-N 3.26Å; I391-S393 PolarHBondContact O-N 3.27Å; I391-F394 PolarHBondContact O-N 2.99Å; I391-C395 WeakPolarHBondContact O-CB 3.49Å; I391-C395 PolarHBondContact O-N 3.24Å; I391-C395 PolarHBondContact O-SG 2.88Å; I391-C395 VanDerWaalsContact O-SG 3.36Å
392V98Very high95.3Very high38 Ų3841 Ų4123%0.2322%0.221CC..Hα-helixtrans-61.3-40.1176.7172.20000110.2L388 S396 V408 F412L388-V392 WeakPolarHBondContact O-CB 3.4Å; L388-V392 WeakPolarHBondContact O-CG2 3.5Å; L388-V392 PolarHBondContact O-N 3.06Å; V392-S396 WeakPolarHBondContact O-CB 3.2Å; V392-S396 PolarHBondContact O-N 3.24Å; V392-S396 PolarHBondContact O-OG 3.41Å; V392-V408 HydrophobicContact CG1-CG1 4.39Å; V392-F412 HydrophobicContact CB-CD1 3.98Å; V392-F412 HydrophobicContact CB-CE1 4.29Å; V392-F412 HydrophobicContact CB-CG 4.17Å; V392-F412 HydrophobicContact CG1-CB 3.91Å; V392-F412 HydrophobicContact CG1-CD1 4.12Å; V392-F412 HydrophobicContact CG1-CD2 4.27Å; V392-F412 HydrophobicContact CG1-CG 3.82Å; V392-F412 HydrophobicContact CG2-CD1 4.02Å; V392-F412 HydrophobicContact CG2-CD2 4.15Å; V392-F412 HydrophobicContact CG2-CE1 3.9Å; V392-F412 HydrophobicContact CG2-CE2 4.03Å; V392-F412 HydrophobicContact CG2-CG 4.15Å; V392-F412 HydrophobicContact CG2-CZ 3.9Å
393S95.9Very high94.8Very high1 Ų137.7 Ų37.71%0.00720%0.199CC..Hα-helixtrans-65.8-46.6178.1-52.30000112.7L125 I389 W390 I391 S396 I397 S409L125-S393 VanDerWaalsContact CD1-OG 3.24Å; L125-S393 WeakPolarHBondContact CD1-OG 3.36Å; I389-S393 VanDerWaalsContact O-CB 3.3Å; I389-S393 WeakPolarHBondContact O-CB 3.19Å; I389-S393 PolarHBondContact O-N 3.44Å; I389-S393 PolarHBondContact O-OG 3.19Å; W390-S393 PolarHBondContact O-N 3.18Å; I391-S393 VanDerWaalsContact C-N 3.26Å; I391-S393 PolarHBondContact O-N 3.27Å; S393-S396 PolarHBondContact O-OG 3.12Å; S393-S396 VanDerWaalsContact O-OG 3.09Å; S393-I397 WeakPolarHBondContact O-CG1 3.38Å; S393-I397 PolarHBondContact O-N 3.14Å; S393-S409 VanDerWaalsContact CA-OG 3.27Å; S393-S409 WeakPolarHBondContact CA-OG 3.5Å
394F97.5Very high94.5Very high36 Ų3643.2 Ų43.216%0.15822%0.217CC..Hα-helixtrans-62.1-49.8177.2174.6-101.5000112.3G128 C131 I135 W390 I391 I398G128-F394 WeakPolarHBondContact O-CA 3.37Å; C131-F394 HydrophobicContact CB-CD2 4.02Å; C131-F394 HydrophobicContact CB-CE2 4.36Å; I135-F394 HydrophobicContact CG1-CE2 4.02Å; I135-F394 HydrophobicContact CG1-CZ 4.25Å; W390-F394 HydrophobicContact CE3-CB 3.86Å; W390-F394 HydrophobicContact CE3-CG 4.46Å; W390-F394 HydrophobicContact CH2-CB 3.87Å; W390-F394 HydrophobicContact CH2-CD1 4.29Å; W390-F394 AromaticContact CH2-CD2 3.72Å; W390-F394 HydrophobicContact CH2-CD2 3.72Å; W390-F394 HydrophobicContact CH2-CE2 4.33Å; W390-F394 AromaticContact CH2-CG 3.69Å; W390-F394 HydrophobicContact CH2-CG 3.69Å; W390-F394 HydrophobicContact CZ2-CD2 4.5Å; W390-F394 HydrophobicContact CZ3-CB 3.46Å; W390-F394 VanDerWaalsContact CZ3-CB 3.46Å; W390-F394 AromaticContact CZ3-CD1 3.94Å; W390-F394 HydrophobicContact CZ3-CD1 3.94Å; W390-F394 HydrophobicContact CZ3-CD2 4.11Å; W390-F394 AromaticContact CZ3-CG 3.57Å; W390-F394 HydrophobicContact CZ3-CG 3.57Å; W390-F394 WeakPolarHBondContact O-CB 3.3Å; W390-F394 PolarHBondContact O-N 3.31Å; I391-F394 PolarHBondContact O-N 2.99Å; F394-I398 HydrophobicContact CD1-CD1 4.06Å; F394-I398 HydrophobicContact CD2-CD1 4.11Å; F394-I398 HydrophobicContact CE1-CD1 3.52Å; F394-I398 HydrophobicContact CE2-CD1 3.56Å; F394-I398 HydrophobicContact CG-CD1 4.34Å; F394-I398 HydrophobicContact CZ-CD1 3.24Å; F394-I398 WeakPolarHBondContact O-CG1 3.31Å; F394-I398 PolarHBondContact O-N 3.17Å
395C97.5Very high94.4Very high52 Ų5236.8 Ų36.835%0.35119%0.189SC..Hα-helixtrans-68.8-41.3-177.5-69.80000112.3I391 I397 I398 L399I391-C395 WeakPolarHBondContact O-CB 3.49Å; I391-C395 PolarHBondContact O-N 3.24Å; I391-C395 PolarHBondContact O-SG 2.88Å; I391-C395 VanDerWaalsContact O-SG 3.36Å; C395-I397 VanDerWaalsContact C-N 3.3Å; C395-I397 PolarHBondContact O-N 3.02Å; C395-I398 PolarHBondContact O-N 3.41Å; C395-L399 WeakPolarHBondContact O-CB 3.3Å; C395-L399 VanDerWaalsContact O-CG 3.27Å; C395-L399 WeakPolarHBondContact O-CG 3.38Å; C395-L399 PolarHBondContact O-N 3.39Å
396S96.7Very high94.2Very high5 Ų534.9 Ų34.94%0.03518%0.176CC..Hα-helixtrans-63.1-36.6-179.364.10000112.3V392 S393 F400 G405 S409V392-S396 WeakPolarHBondContact O-CB 3.2Å; V392-S396 PolarHBondContact O-N 3.24Å; V392-S396 PolarHBondContact O-OG 3.41Å; S393-S396 PolarHBondContact O-OG 3.12Å; S393-S396 VanDerWaalsContact O-OG 3.09Å; S396-F400 WeakPolarHBondContact O-CA 3.43Å; S396-F400 VanDerWaalsContact O-CB 3.31Å; S396-F400 WeakPolarHBondContact O-CB 3.08Å; S396-F400 PolarHBondContact O-N 2.95Å; S396-G405 PolarHBondContact OG-O 2.94Å; S396-S409 PolarHBondContact OG-OG 2.88Å
397I94.7Very high94Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-68.8-42.3176.3-63.5-69.9000111.8L129 L136 S393 C395 D401 M402L129-I397 HydrophobicContact CD2-CD1 3.52Å; L129-I397 HydrophobicContact CD2-CG1 3.56Å; L136-I397 HydrophobicContact CD1-CG2 3.63Å; L136-I397 HydrophobicContact CG-CG2 4.23Å; S393-I397 WeakPolarHBondContact O-CG1 3.38Å; S393-I397 PolarHBondContact O-N 3.14Å; C395-I397 VanDerWaalsContact C-N 3.3Å; C395-I397 PolarHBondContact O-N 3.02Å; I397-D401 CarbonylContact O-C 3.45Å; I397-D401 WeakPolarHBondContact O-CA 3.28Å; I397-D401 PolarHBondContact O-N 3.23Å; I397-M402 HydrophobicContact CD1-CB 4.43Å; I397-M402 HydrophobicContact CD1-CG 4.39Å; I397-M402 HydrophobicContact CD1-SD 3.58Å; I397-M402 VanDerWaalsContact CD1-SD 3.58Å; I397-M402 HydrophobicContact CG2-CE 4.33Å
398I95.4Very high93.8Very high33 Ų3338 Ų3817%0.16920%0.2CC..Hα-helixtrans-67.5-39.3178.9-68.9172.3000111.3I135 V160 F394 C395I135-I398 HydrophobicContact CB-CD1 4.08Å; I135-I398 HydrophobicContact CB-CG1 4.21Å; I135-I398 HydrophobicContact CG1-CD1 4.04Å; I135-I398 HydrophobicContact CG2-CD1 4.11Å; I135-I398 HydrophobicContact CG2-CG1 4.23Å; V160-I398 HydrophobicContact CG1-CG2 4.33Å; V160-I398 WeakPolarHBondContact CG2-O 3.12Å; F394-I398 HydrophobicContact CD1-CD1 4.06Å; F394-I398 HydrophobicContact CD2-CD1 4.11Å; F394-I398 HydrophobicContact CE1-CD1 3.52Å; F394-I398 HydrophobicContact CE2-CD1 3.56Å; F394-I398 HydrophobicContact CG-CD1 4.34Å; F394-I398 HydrophobicContact CZ-CD1 3.24Å; F394-I398 WeakPolarHBondContact O-CG1 3.31Å; F394-I398 PolarHBondContact O-N 3.17Å; C395-I398 PolarHBondContact O-N 3.41Å
399L95.3Very high93.7Very high63 Ų6334.1 Ų34.133%0.3318%0.179SC..Hα-helixtrans-84.3-39.1-175.6-66176.3000113F158 I161 C395F158-L399 WeakPolarHBondContact CA-O 3.2Å; F158-L399 PolarHBondContact N-O 3.23Å; I161-L399 HydrophobicContact CD1-CD2 4.16Å; C395-L399 WeakPolarHBondContact O-CB 3.3Å; C395-L399 VanDerWaalsContact O-CG 3.27Å; C395-L399 WeakPolarHBondContact O-CG 3.38Å; C395-L399 PolarHBondContact O-N 3.39Å
400F93.1Very high93.4Very high68 Ų6836.6 Ų36.630%0.29819%0.19SC..Hα-helixtrans-112.65.9-172-54.6-54.1000114.2P157 F158 S396 Y404 V408P157-F400 HydrophobicContact CB-CD1 4.46Å; F158-F400 HydrophobicContact CE1-CE1 4.13Å; F158-F400 HydrophobicContact CE2-CD1 4.42Å; F158-F400 HydrophobicContact CE2-CE1 4.12Å; F158-F400 HydrophobicContact CZ-CD1 4.19Å; F158-F400 AromaticContact CZ-CE1 3.58Å; F158-F400 HydrophobicContact CZ-CE1 3.58Å; S396-F400 WeakPolarHBondContact O-CA 3.43Å; S396-F400 VanDerWaalsContact O-CB 3.31Å; S396-F400 WeakPolarHBondContact O-CB 3.08Å; S396-F400 PolarHBondContact O-N 2.95Å; F400-Y404 WeakPolarHBondContact O-CB 3.42Å; F400-Y404 WeakPolarHBondContact O-CD2 3.39Å; F400-V408 HydrophobicContact CD2-CG2 4.32Å
401D89.1Confident93.3Very high24 Ų2438.7 Ų38.713%0.12821%0.208CC..Hα-helixtrans66.5175.6-169.4-164.678.4000112.5G155 I397 G405G155-D401 WeakPolarHBondContact CA-OD1 3.38Å; G155-D401 PolarHBondContact N-OD1 3.45Å; I397-D401 CarbonylContact O-C 3.45Å; I397-D401 WeakPolarHBondContact O-CA 3.28Å; I397-D401 PolarHBondContact O-N 3.23Å; D401-G405 WeakPolarHBondContact O-CA 3.29Å; D401-G405 PolarHBondContact O-N 3.37Å
402M86.6Confident93.2Very high4 Ų438.9 Ų38.92%0.0221%0.207CC..Hα-helixtrans-66.4-43.8-169.6-178.473.264.200113.3V41 M45 A133 V267 I397 L406V41-M402 HydrophobicContact CG1-CE 3.49Å; V41-M402 VanDerWaalsContact CG1-CE 3.49Å; M45-M402 HydrophobicContact CE-CB 4.27Å; M45-M402 HydrophobicContact CE-CG 3.35Å; M45-M402 HydrophobicContact CG-CB 3.95Å; M45-M402 HydrophobicContact CG-CE 4.46Å; M45-M402 HydrophobicContact CG-CG 3.61Å; M45-M402 HydrophobicContact SD-CE 4.48Å; M45-M402 HydrophobicContact SD-CG 3.55Å; M45-M402 VanDerWaalsContact SD-CG 3.55Å; M45-M402 HydrophobicContact SD-SD 4.36Å; A133-M402 HydrophobicContact CB-CE 3.31Å; V267-M402 HydrophobicContact CG1-SD 4.36Å; V267-M402 HydrophobicContact CG2-CG 4.43Å; V267-M402 HydrophobicContact CG2-SD 4.07Å; I397-M402 HydrophobicContact CD1-CB 4.43Å; I397-M402 HydrophobicContact CD1-CG 4.39Å; I397-M402 HydrophobicContact CD1-SD 3.58Å; I397-M402 VanDerWaalsContact CD1-SD 3.58Å; I397-M402 HydrophobicContact CG2-CE 4.33Å; M402-L406 WeakPolarHBondContact O-CB 3.48Å; M402-L406 PolarHBondContact O-N 2.95Å
403S85.4Confident93Very high28 Ų2837.3 Ų37.320%0.19620%0.197CC..Hα-helixtrans-64.5-50.4-173.4-165.70000111.7S263 T407S263-S403 PolarHBondContact OG-OG 3.23Å; S263-S403 VanDerWaalsContact OG-OG 3.08Å; S403-T407 PolarHBondContact O-N 3.44Å; S403-T407 PolarHBondContact O-OG1 2.69Å
404Y88.7Confident92.9Very high142 Ų14240.6 Ų40.656%0.55721%0.214SC*.Hα-helixtrans-72.9-39.5176.7-61.6-75000111.9P157 F400 L406 T407 V408P157-Y404 HydrophobicContact CG-CD2 4.03Å; P157-Y404 HydrophobicContact CG-CE2 4.05Å; F400-Y404 WeakPolarHBondContact O-CB 3.42Å; F400-Y404 WeakPolarHBondContact O-CD2 3.39Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 2.97Å; Y404-T407 WeakPolarHBondContact O-CB 3.47Å; Y404-T407 PolarHBondContact O-N 3.05Å; Y404-T407 VanDerWaalsContact O-N 3.12Å; Y404-V408 WeakPolarHBondContact O-CG2 3.13Å; Y404-V408 PolarHBondContact O-N 2.95Å
405G92.1Very high92.7Very high0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-61.4-39.8179.600000112.5S396 D401 T407 V408 S409S396-G405 PolarHBondContact OG-O 2.94Å; D401-G405 WeakPolarHBondContact O-CA 3.29Å; D401-G405 PolarHBondContact O-N 3.37Å; G405-T407 VanDerWaalsContact C-N 3.35Å; G405-T407 PolarHBondContact O-N 3.32Å; G405-V408 PolarHBondContact O-N 3.22Å; G405-S409 WeakPolarHBondContact O-CB 3.45Å; G405-S409 PolarHBondContact O-N 3.34Å; G405-S409 PolarHBondContact O-OG 3.3Å
406L89.7Confident92.5Very high10 Ų1041.9 Ų41.95%0.05222%0.22CC..Hα-helixtrans-58.6-47172.7178.568.7000111.7L129 I266 V267 M402 Y404 V408 S409 F410L129-L406 HydrophobicContact CD1-CD1 3.68Å; L129-L406 HydrophobicContact CD2-CD1 4.34Å; I266-L406 HydrophobicContact CB-CD2 4.34Å; I266-L406 HydrophobicContact CG2-CD2 4.14Å; V267-L406 HydrophobicContact CG2-CD1 4.16Å; V267-L406 HydrophobicContact CG2-CD2 3.74Å; V267-L406 HydrophobicContact CG2-CG 4.41Å; M402-L406 WeakPolarHBondContact O-CB 3.48Å; M402-L406 PolarHBondContact O-N 2.95Å; Y404-L406 VanDerWaalsContact C-N 3.33Å; Y404-L406 PolarHBondContact O-N 2.97Å; L406-V408 PolarHBondContact O-N 3.48Å; L406-S409 PolarHBondContact O-N 3.19Å; L406-F410 WeakPolarHBondContact O-CB 3.5Å; L406-F410 PolarHBondContact O-N 3.13Å
407T90.2Very high92.2Very high89 Ų8945.6 Ų45.655%0.54624%0.238SC..Hα-helixtrans-60.6-47.8-178.8-57.30000111S403 Y404 G405 S409 F410 A411S403-T407 PolarHBondContact O-N 3.44Å; S403-T407 PolarHBondContact O-OG1 2.69Å; Y404-T407 WeakPolarHBondContact O-CB 3.47Å; Y404-T407 PolarHBondContact O-N 3.05Å; Y404-T407 VanDerWaalsContact O-N 3.12Å; G405-T407 VanDerWaalsContact C-N 3.35Å; G405-T407 PolarHBondContact O-N 3.32Å; T407-S409 VanDerWaalsContact C-N 3.34Å; T407-S409 PolarHBondContact O-N 2.94Å; T407-F410 PolarHBondContact O-N 3.21Å; T407-A411 WeakPolarHBondContact O-CB 3.35Å; T407-A411 PolarHBondContact O-N 2.78Å
408V95Very high92.1Very high60 Ų6049 Ų4936%0.36426%0.259SS..Hα-helixtrans-61-43.8176.8173.10000111V392 F400 Y404 G405 L406 A411 F412V392-V408 HydrophobicContact CG1-CG1 4.39Å; F400-V408 HydrophobicContact CD2-CG2 4.32Å; Y404-V408 WeakPolarHBondContact O-CG2 3.13Å; Y404-V408 PolarHBondContact O-N 2.95Å; G405-V408 PolarHBondContact O-N 3.22Å; L406-V408 PolarHBondContact O-N 3.48Å; V408-A411 PolarHBondContact O-N 3.46Å; V408-F412 WeakPolarHBondContact O-CB 3.41Å; V408-F412 PolarHBondContact O-N 3.34Å
409S93.9Very high91.8Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-65.8-43.9-178.6-520000112.2S393 S396 G405 L406 T407 F412 V413S393-S409 VanDerWaalsContact CA-OG 3.27Å; S393-S409 WeakPolarHBondContact CA-OG 3.5Å; S396-S409 PolarHBondContact OG-OG 2.88Å; G405-S409 WeakPolarHBondContact O-CB 3.45Å; G405-S409 PolarHBondContact O-N 3.34Å; G405-S409 PolarHBondContact O-OG 3.3Å; L406-S409 PolarHBondContact O-N 3.19Å; T407-S409 VanDerWaalsContact C-N 3.34Å; T407-S409 PolarHBondContact O-N 2.94Å; S409-F412 PolarHBondContact O-N 2.92Å; S409-V413 WeakPolarHBondContact O-CG2 3.39Å; S409-V413 PolarHBondContact O-N 3.09Å
410F91.1Very high91.5Very high60 Ų6056.3 Ų56.326%0.26329%0.287SS..Hα-helixtrans-66.8-42.2179-164.4-105.5000111.5L121 L125 L406 T407 F412 V413 L414L121-F410 HydrophobicContact CD2-CD2 4.42Å; L121-F410 HydrophobicContact CD2-CE2 4.36Å; L125-F410 HydrophobicContact CD2-CD2 4.43Å; L406-F410 WeakPolarHBondContact O-CB 3.5Å; L406-F410 PolarHBondContact O-N 3.13Å; T407-F410 PolarHBondContact O-N 3.21Å; F410-F412 VanDerWaalsContact C-N 3.3Å; F410-F412 PolarHBondContact O-N 3.03Å; F410-V413 PolarHBondContact O-N 2.86Å; F410-L414 HydrophobicContact CD1-CD1 4.1Å; F410-L414 HydrophobicContact CE1-CD1 3.87Å; F410-L414 HydrophobicContact CE1-CG 4.32Å; F410-L414 PolarHBondContact O-N 3.42Å; F410-L414 VanDerWaalsContact O-N 3.09Å
411A94.7Very high91.1Very high47 Ų4755.1 Ų55.139%0.38829%0.287SS..Hα-helixtrans-58.4-42.9172.900000111.7T407 V408 V413 L414 L415T407-A411 WeakPolarHBondContact O-CB 3.35Å; T407-A411 PolarHBondContact O-N 2.78Å; V408-A411 PolarHBondContact O-N 3.46Å; A411-V413 PolarHBondContact O-N 3.38Å; A411-L414 PolarHBondContact O-N 3.44Å; A411-L415 WeakPolarHBondContact O-CG 3.25Å; A411-L415 PolarHBondContact O-N 3.42Å
412F96.5Very high91Very high57 Ų5756.5 Ų56.525%0.2529%0.293CS..Hα-helixtrans-64.9-38.3177.5-173.3-97.4000113L388 I389 V392 V408 S409 F410 L415 T416L388-F412 HydrophobicContact CB-CE1 4.03Å; L388-F412 HydrophobicContact CB-CZ 4.01Å; I389-F412 HydrophobicContact CG1-CD1 4.02Å; I389-F412 HydrophobicContact CG1-CE1 3.94Å; V392-F412 HydrophobicContact CB-CD1 3.98Å; V392-F412 HydrophobicContact CB-CE1 4.29Å; V392-F412 HydrophobicContact CB-CG 4.17Å; V392-F412 HydrophobicContact CG1-CB 3.91Å; V392-F412 HydrophobicContact CG1-CD1 4.12Å; V392-F412 HydrophobicContact CG1-CD2 4.27Å; V392-F412 HydrophobicContact CG1-CG 3.82Å; V392-F412 HydrophobicContact CG2-CD1 4.02Å; V392-F412 HydrophobicContact CG2-CD2 4.15Å; V392-F412 HydrophobicContact CG2-CE1 3.9Å; V392-F412 HydrophobicContact CG2-CE2 4.03Å; V392-F412 HydrophobicContact CG2-CG 4.15Å; V392-F412 HydrophobicContact CG2-CZ 3.9Å; V408-F412 WeakPolarHBondContact O-CB 3.41Å; V408-F412 PolarHBondContact O-N 3.34Å; S409-F412 PolarHBondContact O-N 2.92Å; F410-F412 VanDerWaalsContact C-N 3.3Å; F410-F412 PolarHBondContact O-N 3.03Å; F412-L415 PolarHBondContact O-N 3.24Å; F412-T416 WeakPolarHBondContact CE1-OG1 3.4Å; F412-T416 WeakPolarHBondContact O-CB 3.36Å; F412-T416 PolarHBondContact O-N 3.21Å; F412-T416 PolarHBondContact O-OG1 3.05Å
413V94.7Very high91Very high5 Ų565.5 Ų65.53%0.0333%0.327CS..Hα-helixtrans-61.3-47174.4169.90000111L125 I389 S409 F410 A411 T416 I417L125-V413 HydrophobicContact CB-CG2 4.26Å; L125-V413 HydrophobicContact CD1-CG2 3.93Å; L125-V413 HydrophobicContact CD2-CG2 4.27Å; L125-V413 HydrophobicContact CG-CG2 4.37Å; I389-V413 HydrophobicContact CD1-CG2 4.23Å; I389-V413 HydrophobicContact CG1-CG2 4.16Å; I389-V413 HydrophobicContact CG2-CG2 3.59Å; S409-V413 WeakPolarHBondContact O-CG2 3.39Å; S409-V413 PolarHBondContact O-N 3.09Å; F410-V413 PolarHBondContact O-N 2.86Å; A411-V413 PolarHBondContact O-N 3.38Å; V413-T416 PolarHBondContact O-N 3.29Å; V413-I417 HydrophobicContact CG1-CD1 4.1Å; V413-I417 WeakPolarHBondContact O-CG1 2.79Å; V413-I417 PolarHBondContact O-N 3.42Å
414L93.2Very high91Very high69 Ų6964.9 Ų64.936%0.36132%0.323SS..Hα-helixtrans-62.4-44.8178.1-66.2178.6000111.8Y120 F410 A411 T416 I417 V418Y120-L414 HydrophobicContact CD1-CD2 3.81Å; Y120-L414 HydrophobicContact CE1-CD2 4.07Å; Y120-L414 HydrophobicContact CG-CD2 4.45Å; F410-L414 HydrophobicContact CD1-CD1 4.1Å; F410-L414 HydrophobicContact CE1-CD1 3.87Å; F410-L414 HydrophobicContact CE1-CG 4.32Å; F410-L414 PolarHBondContact O-N 3.42Å; F410-L414 VanDerWaalsContact O-N 3.09Å; A411-L414 PolarHBondContact O-N 3.44Å; L414-T416 VanDerWaalsContact C-N 3.32Å; L414-T416 PolarHBondContact O-N 3.49Å; L414-I417 PolarHBondContact O-N 3.11Å; L414-V418 WeakPolarHBondContact O-CG2 3.39Å; L414-V418 PolarHBondContact O-N 3.32Å
415L94.2Very high90.9Very high92 Ų9264.7 Ų64.748%0.48233%0.332SS..Hα-helixtrans-59.3-42.8175-73.8170.5000111.7A411 F412 I417 V418 F419A411-L415 WeakPolarHBondContact O-CG 3.25Å; A411-L415 PolarHBondContact O-N 3.42Å; F412-L415 PolarHBondContact O-N 3.24Å; L415-I417 VanDerWaalsContact C-N 3.3Å; L415-I417 PolarHBondContact O-N 3.07Å; L415-V418 PolarHBondContact O-N 3.23Å; L415-F419 HydrophobicContact CB-CD2 4.37Å; L415-F419 HydrophobicContact CB-CE2 4.29Å; L415-F419 HydrophobicContact CD2-CE2 4.34Å; L415-F419 WeakPolarHBondContact O-CD2 3.44Å; L415-F419 PolarHBondContact O-N 3.47Å
416T93.1Very high90.8Very high24 Ų2465.6 Ų65.615%0.14734%0.338CS..Hα-helixtrans-61.2-40.3178.1-580000111.5P385 I389 F412 V413 L414 K420P385-T416 HydrophobicContact CB-CG2 3.91Å; I389-T416 HydrophobicContact CD1-CG2 4.1Å; I389-T416 HydrophobicContact CG1-CG2 4.46Å; F412-T416 WeakPolarHBondContact CE1-OG1 3.4Å; F412-T416 WeakPolarHBondContact O-CB 3.36Å; F412-T416 PolarHBondContact O-N 3.21Å; F412-T416 PolarHBondContact O-OG1 3.05Å; V413-T416 PolarHBondContact O-N 3.29Å; L414-T416 VanDerWaalsContact C-N 3.32Å; L414-T416 PolarHBondContact O-N 3.49Å; T416-K420 WeakPolarHBondContact O-CB 3.44Å; T416-K420 PolarHBondContact O-N 3.34Å
417I90.6Very high90.9Very high83 Ų8366 Ų6643%0.42634%0.341SS..Hα-helixtrans-64.3-45175.4-66.6166.4000110.6Y120 V413 L414 L415 K420 S421Y120-I417 HydrophobicContact CD1-CD1 3.82Å; Y120-I417 HydrophobicContact CE1-CD1 4.1Å; V413-I417 HydrophobicContact CG1-CD1 4.1Å; V413-I417 WeakPolarHBondContact O-CG1 2.79Å; V413-I417 PolarHBondContact O-N 3.42Å; L414-I417 PolarHBondContact O-N 3.11Å; L415-I417 VanDerWaalsContact C-N 3.3Å; L415-I417 PolarHBondContact O-N 3.07Å; I417-K420 PolarHBondContact O-N 3.39Å; I417-S421 WeakPolarHBondContact O-CB 3.33Å; I417-S421 PolarHBondContact O-N 3.36Å
418V90.8Very high91.1Very high70 Ų7062.3 Ų62.342%0.42432%0.319SS..Hα-helixtrans-60.7-52.5178.3172.50000110.7L414 L415 K420 S421 Q422L414-V418 WeakPolarHBondContact O-CG2 3.39Å; L414-V418 PolarHBondContact O-N 3.32Å; L415-V418 PolarHBondContact O-N 3.23Å; V418-K420 VanDerWaalsContact C-N 3.35Å; V418-K420 PolarHBondContact O-N 3.14Å; V418-S421 PolarHBondContact O-N 2.98Å; V418-S421 VanDerWaalsContact O-N 3.13Å; V418-S421 PolarHBondContact O-OG 3.5Å; V418-Q422 WeakPolarHBondContact O-CG 3.28Å; V418-Q422 PolarHBondContact O-N 3.04Å; V418-Q422 VanDerWaalsContact O-N 3.13Å
419F90.6Very high91.2Very high105 Ų10559.7 Ų59.746%0.46130%0.303SS..Hα-helixtrans-62.2-40.2179.5-75.1-62.2000112.7L415 S421 Q422 W423L415-F419 HydrophobicContact CB-CD2 4.37Å; L415-F419 HydrophobicContact CB-CE2 4.29Å; L415-F419 HydrophobicContact CD2-CE2 4.34Å; L415-F419 WeakPolarHBondContact O-CD2 3.44Å; L415-F419 PolarHBondContact O-N 3.47Å; F419-S421 VanDerWaalsContact C-N 3.29Å; F419-S421 PolarHBondContact O-N 3.05Å; F419-Q422 PolarHBondContact O-N 2.73Å; F419-W423 PolarHBondContact O-N 3.41Å
420K87.3Confident91.1Very high145 Ų14559.7 Ų59.763%0.6330%0.303SS*.Hα-helixtrans-64.8-32.9176.2-174.3176.2179176.70112.4T416 I417 V418T416-K420 WeakPolarHBondContact O-CB 3.44Å; T416-K420 PolarHBondContact O-N 3.34Å; I417-K420 PolarHBondContact O-N 3.39Å; V418-K420 VanDerWaalsContact C-N 3.35Å; V418-K420 PolarHBondContact O-N 3.14Å
421S85.3Confident91.2Very high43 Ų4357.7 Ų57.730%0.30129%0.293SS..Hα-helixtrans-71.5-31.3176.274.20000112.9I417 V418 F419I417-S421 WeakPolarHBondContact O-CB 3.33Å; I417-S421 PolarHBondContact O-N 3.36Å; V418-S421 PolarHBondContact O-N 2.98Å; V418-S421 VanDerWaalsContact O-N 3.13Å; V418-S421 PolarHBondContact O-OG 3.5Å; F419-S421 VanDerWaalsContact C-N 3.29Å; F419-S421 PolarHBondContact O-N 3.05Å
422Q88.3Confident90.9Very high53 Ų5357 Ų5725%0.24828%0.283CS..Hα-helixtrans-77.4-41.5178.7-70.3178.5-22.700112.1V418 F419 A424 A465 N466 L469V418-Q422 WeakPolarHBondContact O-CG 3.28Å; V418-Q422 PolarHBondContact O-N 3.04Å; V418-Q422 VanDerWaalsContact O-N 3.13Å; F419-Q422 PolarHBondContact O-N 2.73Å; Q422-A424 PolarHBondContact O-N 2.92Å; Q422-A465 HydrophobicContact CG-CB 3.75Å; Q422-N466 WeakPolarHBondContact O-CB 3.43Å; Q422-L469 WeakPolarHBondContact O-CD2 3.33Å
423W86.5Confident90.3Very high193 Ų19358.1 Ų58.173%0.73129%0.292SS*.SBendtrans-97.890.2-174.8-66.81.1000110.9F419F419-W423 PolarHBondContact O-N 3.41Å
424A85.2Confident89.7Confident15 Ų1560.1 Ų60.112%0.12431%0.313CS..  trans-101.9148.8177.900000112.1Q422 F458Q422-A424 PolarHBondContact O-N 2.92Å; A424-F458 HydrophobicContact CB-CE1 3.99Å; A424-F458 HydrophobicContact CB-CE2 3.95Å; A424-F458 HydrophobicContact CB-CZ 3.6Å
425D86Confident89.4Confident139 Ų13958.1 Ų58.174%0.74331%0.305SS*.  trans-78.5150.9173.4-72.5-44.8000111.2D459D425-D459 PolarHBondContact O-N 3.31Å
426S90.6Very high89.2Confident19 Ų1958.5 Ų58.513%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-137.4145.6171.864.50000112Y456 R457 R477S426-Y456 VanDerWaalsContact CB-CE2 3.5Å; S426-Y456 VanDerWaalsContact CB-CZ 3.48Å; S426-Y456 WeakPolarHBondContact CB-OH 3.23Å; S426-Y456 PolarHBondContact OG-OH 2.85Å; S426-R457 VanDerWaalsContact CA-O 3.28Å; S426-R457 WeakPolarHBondContact CA-O 3.49Å; S426-R457 WeakPolarHBondContact CB-O 3.44Å; S426-R477 PolarHBondContact O-NE 3.02Å; S426-R477 PolarHBondContact O-NH2 2.96Å
427V92.1Very high89.1Confident17 Ų1761.7 Ų61.710%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-142.2150.1-17067.20000110.9L429 R457V427-L429 HydrophobicContact CG1-CD2 3.99Å; V427-R457 HydrophobicContact CG1-CB 4.22Å; V427-R457 PolarHBondContact N-O 3.48Å; V427-R457 PolarHBondContact O-N 3.09Å
428C94.3Very high89.2Confident13 Ų1358.8 Ų58.89%0.08830%0.303CS..EExtended strand (participates in β ladder)trans-88.9135.5166.3-71.90000110.2L441 I455C428-L441 HydrophobicContact CB-CD1 3.83Å; C428-L441 PolarHBondContact O-N 3.33Å; C428-I455 CarbonylContact C-O 3.56Å; C428-I455 WeakPolarHBondContact CA-O 3.32Å
429L95.4Very high89.3Confident4 Ų458 Ų582%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-93.5145.5175-47.5-178.7000110.5V427 Q439 I455 R457 D525V427-L429 HydrophobicContact CG1-CD2 3.99Å; L429-Q439 CarbonylContact C-O 3.49Å; L429-Q439 VanDerWaalsContact CA-O 3.3Å; L429-Q439 WeakPolarHBondContact CA-O 3.47Å; L429-I455 HydrophobicContact CB-CB 4.02Å; L429-I455 HydrophobicContact CB-CG2 3.85Å; L429-I455 HydrophobicContact CD1-CG2 3.85Å; L429-I455 HydrophobicContact CG-CG2 4.04Å; L429-I455 PolarHBondContact N-O 3.18Å; L429-R457 HydrophobicContact CD1-CB 4.26Å; L429-R457 HydrophobicContact CD2-CB 4.27Å; L429-R457 HydrophobicContact CG-CB 4.26Å; L429-D525 HydrophobicContact CD1-CB 4.31Å
430G92.9Very high89.3Confident0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-119.7154.916800000110.3Y438 Q439 R448G430-Y438 CarbonylContact O-C 3.45Å; G430-Y438 VanDerWaalsContact O-CA 3.26Å; G430-Y438 WeakPolarHBondContact O-CA 3.43Å; G430-Q439 PolarHBondContact N-O 2.86Å; G430-Q439 PolarHBondContact O-N 3.48Å; G430-R448 CarbonylContact C-O 3.11Å; G430-R448 WeakPolarHBondContact CA-O 2.91Å
431R93.2Very high89.3Confident19 Ų1948.3 Ų48.37%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-78.5139.2175.3-167.2175.368.4-171.22.5109.5S435 Y438 R448 I450 A601 D604R431-S435 WeakPolarHBondContact CD-O 3.34Å; R431-S435 WeakPolarHBondContact CG-O 3.45Å; R431-Y438 HydrophobicContact CB-CD1 3.97Å; R431-Y438 HydrophobicContact CB-CE1 3.68Å; R431-Y438 HydrophobicContact CG-CD1 4.43Å; R431-Y438 HydrophobicContact CG-CE1 3.97Å; R431-R448 PolarHBondContact N-O 3.5Å; R431-R448 PolarHBondContact O-N 2.69Å; R431-I450 HydrophobicContact CB-CD1 4.19Å; R431-I450 HydrophobicContact CB-CG1 4.28Å; R431-A601 PolarHBondContact NH1-O 3.5Å; R431-A601 VanDerWaalsContact NH1-O 3.14Å; R431-A601 PolarHBondContact NH2-O 2.64Å; R431-D604 IonicContact CZ-OD1 2.63Å; R431-D604 IonicContact CZ-OD2 2.85Å; R431-D604 IonicContact NE-OD2 3.23Å; R431-D604 IonicContact NH1-OD1 2.78Å; R431-D604 IonicContact NH2-OD1 3.23Å; R431-D604 PolarHBondContact NH2-OD1 3.18Å; R431-D604 IonicContact NH2-OD2 2.77Å; R431-D604 PolarHBondContact NH2-OD2 3.31Å
432L89.1Confident89.1Confident31 Ų3152.5 Ų52.516%0.16227%0.274CS..EExtended strand (participates in β ladder)trans-80.6126.7165.9-65.9173.1000108.7G434 S435 I437 Q439 E446 A447L432-G434 PolarHBondContact O-N 2.86Å; L432-S435 WeakPolarHBondContact CB-OG 3.27Å; L432-S435 PolarHBondContact O-N 2.69Å; L432-S435 VanDerWaalsContact O-N 3.11Å; L432-S435 PolarHBondContact O-OG 3.39Å; L432-I437 HydrophobicContact CD1-CB 4.24Å; L432-I437 HydrophobicContact CD1-CG2 3.95Å; L432-I437 PolarHBondContact N-O 2.94Å; L432-Q439 HydrophobicContact CD1-CG 3.97Å; L432-Q439 HydrophobicContact CG-CG 4.38Å; L432-E446 HydrophobicContact CD2-CB 3.91Å; L432-A447 HydrophobicContact CD2-CB 4.17Å
433D83Confident88.8Confident82 Ų8256.2 Ų56.244%0.43930%0.295SS..THydrogen-bonded Turntrans-51.7134.7-174.6-71.2-14.9000112S435 R448D433-S435 PolarHBondContact O-N 2.86Å; D433-R448 IonicContact OD1-NH1 3.84Å; D433-R448 IonicContact OD2-CZ 3.94Å; D433-R448 IonicContact OD2-NE 2.65Å; D433-R448 IonicContact OD2-NH1 3.52Å; D433-R448 PolarHBondContact OD2-NH1 3.38Å; D433-R448 IonicContact OD2-NH2 3.82Å
434G82.5Confident88.7Confident46 Ų4652.2 Ų52.247%0.47428%0.28SS..THydrogen-bonded Turntrans70.213.6-179.800000115.6L432 D604L432-G434 PolarHBondContact O-N 2.86Å; G434-D604 WeakPolarHBondContact CA-O 3.26Å; G434-D604 PolarHBondContact N-OD2 3.39Å
435S87Confident88.5Confident28 Ų2856.9 Ų56.920%0.19632%0.319CS..SBendtrans-136.8165.4178.979.10000113.2R431 L432 D433 I437R431-S435 WeakPolarHBondContact CD-O 3.34Å; R431-S435 WeakPolarHBondContact CG-O 3.45Å; L432-S435 WeakPolarHBondContact CB-OG 3.27Å; L432-S435 PolarHBondContact O-N 2.69Å; L432-S435 VanDerWaalsContact O-N 3.11Å; L432-S435 PolarHBondContact O-OG 3.39Å; D433-S435 PolarHBondContact O-N 2.86Å; S435-I437 VanDerWaalsContact C-N 3.26Å; S435-I437 PolarHBondContact OG-N 3.26Å
436E89.2Confident88.5Confident99 Ų9957.3 Ų57.346%0.46332%0.316SS..SBendtrans-89.713.2173.3-56.1-179.7-176.200112.4Y438 H586 V605 Y606E436-Y438 WeakPolarHBondContact O-CD2 3.36Å; E436-Y438 WeakPolarHBondContact O-CE2 3.47Å; E436-H586 HydrophobicContact CB-CB 4.31Å; E436-H586 IonicContact OE2-CD2 3.47Å; E436-V605 HydrophobicContact CG-CG1 3.83Å; E436-Y606 WeakPolarHBondContact OE1-CE1 3.45Å; E436-Y606 PolarHBondContact OE1-OH 2.89Å
437I91.2Very high88.4Confident91 Ų9156.9 Ų56.947%0.46731%0.313SS..  trans-97.8132.9-172.7-58174.6000110.4L432 S435 Q439L432-I437 HydrophobicContact CD1-CB 4.24Å; L432-I437 HydrophobicContact CD1-CG2 3.95Å; L432-I437 PolarHBondContact N-O 2.94Å; S435-I437 VanDerWaalsContact C-N 3.26Å; S435-I437 PolarHBondContact OG-N 3.26Å; I437-Q439 HydrophobicContact CG2-CG 4.21Å
438Y93.6Very high88.3Confident22 Ų2263.4 Ų63.49%0.08634%0.336CS..EExtended strand (participates in β ladder)trans-114.1130.8178.9-61.8-92.9000110.9G430 R431 E436 I450 I455 V585 H586 V589G430-Y438 CarbonylContact O-C 3.45Å; G430-Y438 VanDerWaalsContact O-CA 3.26Å; G430-Y438 WeakPolarHBondContact O-CA 3.43Å; R431-Y438 HydrophobicContact CB-CD1 3.97Å; R431-Y438 HydrophobicContact CB-CE1 3.68Å; R431-Y438 HydrophobicContact CG-CD1 4.43Å; R431-Y438 HydrophobicContact CG-CE1 3.97Å; E436-Y438 WeakPolarHBondContact O-CD2 3.36Å; E436-Y438 WeakPolarHBondContact O-CE2 3.47Å; Y438-I450 HydrophobicContact CE1-CD1 3.94Å; Y438-I455 HydrophobicContact CD1-CD1 3.22Å; Y438-I455 HydrophobicContact CE1-CD1 3.3Å; Y438-I455 HydrophobicContact CG-CD1 4.15Å; Y438-V585 HydrophobicContact CD1-CG1 4.25Å; Y438-V585 HydrophobicContact CD2-CB 4.15Å; Y438-V585 HydrophobicContact CD2-CG1 3.73Å; Y438-V585 HydrophobicContact CE2-CG1 4.05Å; Y438-V585 HydrophobicContact CG-CG1 3.85Å; Y438-H586 HydrophobicContact CE2-CB 3.89Å; Y438-H586 AromaticContact CE2-ND1 3.77Å; Y438-H586 AromaticContact CZ-ND1 3.86Å; Y438-H586 PolarHBondContact OH-ND1 3.38Å; Y438-V589 HydrophobicContact CE1-CG2 3.96Å; Y438-V589 WeakPolarHBondContact OH-CB 3.09Å; Y438-V589 WeakPolarHBondContact OH-CG1 3.31Å; Y438-V589 WeakPolarHBondContact OH-CG2 3.3Å
439Q91.9Very high88.1Confident54 Ų5466.5 Ų66.525%0.25235%0.35SS..EExtended strand (participates in β ladder)trans-135.2156.9-177.8-69.1-63.2-9.200111.6L429 G430 L432 I437 L441 Y444 A447L429-Q439 CarbonylContact C-O 3.49Å; L429-Q439 VanDerWaalsContact CA-O 3.3Å; L429-Q439 WeakPolarHBondContact CA-O 3.47Å; G430-Q439 PolarHBondContact N-O 2.86Å; G430-Q439 PolarHBondContact O-N 3.48Å; L432-Q439 HydrophobicContact CD1-CG 3.97Å; L432-Q439 HydrophobicContact CG-CG 4.38Å; I437-Q439 HydrophobicContact CG2-CG 4.21Å; Q439-L441 PolarHBondContact O-N 3.38Å; Q439-Y444 HydrophobicContact CB-CD1 4.41Å; Q439-Y444 HydrophobicContact CB-CD2 3.52Å; Q439-Y444 HydrophobicContact CB-CE2 3.98Å; Q439-Y444 HydrophobicContact CB-CG 3.77Å; Q439-Y444 HydrophobicContact CG-CD1 4.38Å; Q439-Y444 HydrophobicContact CG-CD2 4.1Å; Q439-Y444 HydrophobicContact CG-CE1 4.43Å; Q439-Y444 HydrophobicContact CG-CE2 4.14Å; Q439-Y444 HydrophobicContact CG-CG 4.22Å; Q439-A447 HydrophobicContact CB-CB 4.37Å
440G90.6Very high87.8Confident1 Ų167.2 Ų67.21%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-62124.6-178.100000112.3N442 L443 Y444G440-N442 PolarHBondContact O-N 3.26Å; G440-N442 VanDerWaalsContact O-N 3.09Å; G440-L443 PolarHBondContact O-N 3.4Å; G440-Y444 PolarHBondContact O-N 3.18Å; G440-Y444 VanDerWaalsContact O-N 3.12Å
441L87.1Confident87.6Confident46 Ų4677.8 Ų77.824%0.24139%0.393CS..THydrogen-bonded Turntrans-55.6-30.3-176.5-71.2170.8000113.7C428 Q439 A447 E449C428-L441 HydrophobicContact CB-CD1 3.83Å; C428-L441 PolarHBondContact O-N 3.33Å; Q439-L441 PolarHBondContact O-N 3.38Å; L441-A447 HydrophobicContact CD2-CB 4.34Å; L441-A447 VanDerWaalsContact CD2-O 3.24Å; L441-A447 WeakPolarHBondContact CD2-O 3.42Å; L441-E449 HydrophobicContact CD1-CB 4.16Å; L441-E449 HydrophobicContact CD1-CG 4.44Å; L441-E449 HydrophobicContact CD2-CB 4.34Å
442N81.7Confident87.4Confident130 Ų13077.3 Ų77.370%0.69539%0.394SS*.THydrogen-bonded Turntrans-87-11.8-179.6-63.7-15.6000113.7G440G440-N442 PolarHBondContact O-N 3.26Å; G440-N442 VanDerWaalsContact O-N 3.09Å
443L81.7Confident87.7Confident132 Ų13275.9 Ų75.969%0.69139%0.387SS*.THydrogen-bonded Turntrans-104.4-26.3-175.7-66.6169.8000112G440G440-L443 PolarHBondContact O-N 3.4Å
444Y83.8Confident88.3Confident109 Ų10974 Ų7443%0.42737%0.374SS..  trans-127.6113.2-175.5-67.8-98000110.5Q439 G440 E446 A447Q439-Y444 HydrophobicContact CB-CD1 4.41Å; Q439-Y444 HydrophobicContact CB-CD2 3.52Å; Q439-Y444 HydrophobicContact CB-CE2 3.98Å; Q439-Y444 HydrophobicContact CB-CG 3.77Å; Q439-Y444 HydrophobicContact CG-CD1 4.38Å; Q439-Y444 HydrophobicContact CG-CD2 4.1Å; Q439-Y444 HydrophobicContact CG-CE1 4.43Å; Q439-Y444 HydrophobicContact CG-CE2 4.14Å; Q439-Y444 HydrophobicContact CG-CG 4.22Å; G440-Y444 PolarHBondContact O-N 3.18Å; G440-Y444 VanDerWaalsContact O-N 3.12Å; Y444-E446 PolarHBondContact O-N 3.03Å; Y444-A447 WeakPolarHBondContact O-CB 3.39Å; Y444-A447 PolarHBondContact O-N 3.21Å; Y444-A447 VanDerWaalsContact O-N 3.11Å
445A82.8Confident89Confident112 Ų11272 Ų7293%0.92635%0.353SS*.THydrogen-bonded Turntrans-63.9-26.2-177.100000113.7
446E85.6Confident89.4Confident149 Ų14970.7 Ų70.770%0.69634%0.344SS*.THydrogen-bonded Turntrans-83.9-13178.3-66.1176.7179.300113.1L432 Y444 R448L432-E446 HydrophobicContact CD2-CB 3.91Å; Y444-E446 PolarHBondContact O-N 3.03Å; E446-R448 PolarHBondContact O-N 3.06Å
447A88.4Confident89.7Confident9 Ų968.1 Ų68.17%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-73.6122.2179.500000109.8L432 Q439 L441 Y444L432-A447 HydrophobicContact CD2-CB 4.17Å; Q439-A447 HydrophobicContact CB-CB 4.37Å; L441-A447 HydrophobicContact CD2-CB 4.34Å; L441-A447 VanDerWaalsContact CD2-O 3.24Å; L441-A447 WeakPolarHBondContact CD2-O 3.42Å; Y444-A447 WeakPolarHBondContact O-CB 3.39Å; Y444-A447 PolarHBondContact O-N 3.21Å; Y444-A447 VanDerWaalsContact O-N 3.11Å
448R89Confident89.9Confident155 Ų15563.8 Ų63.859%0.58531%0.308SS*.EExtended strand (participates in β ladder)trans-114.9138.5-179.2-67.8-178.7180165.6-0.1111.4G430 R431 D433 E446G430-R448 CarbonylContact C-O 3.11Å; G430-R448 WeakPolarHBondContact CA-O 2.91Å; R431-R448 PolarHBondContact N-O 3.5Å; R431-R448 PolarHBondContact O-N 2.69Å; D433-R448 IonicContact OD1-NH1 3.84Å; D433-R448 IonicContact OD2-CZ 3.94Å; D433-R448 IonicContact OD2-NE 2.65Å; D433-R448 IonicContact OD2-NH1 3.52Å; D433-R448 PolarHBondContact OD2-NH1 3.38Å; D433-R448 IonicContact OD2-NH2 3.82Å; E446-R448 PolarHBondContact O-N 3.06Å
449E90Very high89.8Confident78 Ų7865.8 Ų65.836%0.36432%0.32SS..PPolyproline II helixtrans-73137175.4-164.6179.9152.100110.4L441 K454L441-E449 HydrophobicContact CD1-CB 4.16Å; L441-E449 HydrophobicContact CD1-CG 4.44Å; L441-E449 HydrophobicContact CD2-CB 4.34Å; E449-K454 WeakPolarHBondContact OE1-CD 3.3Å; E449-K454 WeakPolarHBondContact OE1-CE 3.26Å; E449-K454 IonicContact OE1-NZ 2.76Å; E449-K454 PolarHBondContact OE1-NZ 3.19Å; E449-K454 IonicContact OE2-NZ 3.82Å; E449-K454 PolarHBondContact OE2-NZ 2.88Å
450I90.5Very high89.9Confident18 Ų1863.8 Ų63.89%0.09231%0.312CS..PPolyproline II helixtrans-80.3129.5174.6-58.2175000107.8R431 Y438 G452 I453 V589 L593R431-I450 HydrophobicContact CB-CD1 4.19Å; R431-I450 HydrophobicContact CB-CG1 4.28Å; Y438-I450 HydrophobicContact CE1-CD1 3.94Å; I450-G452 PolarHBondContact O-N 3.29Å; I450-I453 HydrophobicContact CB-CB 4.32Å; I450-I453 HydrophobicContact CG2-CB 4.41Å; I450-I453 HydrophobicContact CG2-CD1 4.07Å; I450-I453 HydrophobicContact CG2-CG1 4.37Å; I450-I453 PolarHBondContact O-N 2.87Å; I450-I453 VanDerWaalsContact O-N 3.15Å; I450-V589 HydrophobicContact CD1-CG1 3.45Å; I450-V589 VanDerWaalsContact CD1-CG1 3.45Å; I450-V589 HydrophobicContact CD1-CG2 4.42Å; I450-L593 HydrophobicContact CG2-CD2 4.15Å
451R87.7Confident90Very high222 Ų22264.8 Ų64.884%0.83832%0.318SS*.THydrogen-bonded Turntrans-58.3138.2179.4-66.7-177.6176.7177-0.3109.9I453R451-I453 PolarHBondContact O-N 3.48Å
452G90.3Very high90.4Very high9 Ų962.6 Ų62.69%0.09331%0.307CS..EExtended strand (participates in β ladder)trans76.8-8.5-179.900000115.7I450 H520 T521I450-G452 PolarHBondContact O-N 3.29Å; G452-H520 PolarHBondContact O-CD2 2.97Å; G452-H520 PolarHBondContact O-N 3.25Å; G452-T521 PolarHBondContact O-N 2.97Å; G452-T521 VanDerWaalsContact O-N 3.15Å
453I94.3Very high91.1Very high2 Ų257.6 Ų57.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-126121.6-175.4-55179.8000111.4I450 R451 I455 H520 T521 V523 V589 A592 L593I450-I453 HydrophobicContact CB-CB 4.32Å; I450-I453 HydrophobicContact CG2-CB 4.41Å; I450-I453 HydrophobicContact CG2-CD1 4.07Å; I450-I453 HydrophobicContact CG2-CG1 4.37Å; I450-I453 PolarHBondContact O-N 2.87Å; I450-I453 VanDerWaalsContact O-N 3.15Å; R451-I453 PolarHBondContact O-N 3.48Å; I453-I455 HydrophobicContact CG2-CG1 4.11Å; I453-H520 VanDerWaalsContact CG1-CE1 3.44Å; I453-H520 WeakPolarHBondContact CG1-CE1 3.36Å; I453-T521 WeakPolarHBondContact CA-O 3.29Å; I453-V523 HydrophobicContact CG2-CG2 4.02Å; I453-V589 HydrophobicContact CD1-CG1 4.2Å; I453-A592 HydrophobicContact CD1-CB 3.79Å; I453-L593 HydrophobicContact CD1-CD2 3.71Å; I453-L593 HydrophobicContact CD1-CG 3.78Å
454K95.3Very high91.7Very high41 Ų4158 Ų5818%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-102.3122.8169-74.8-80.8-177.4-164.50110E449 T478 L519 T521 I522 V523E449-K454 WeakPolarHBondContact OE1-CD 3.3Å; E449-K454 WeakPolarHBondContact OE1-CE 3.26Å; E449-K454 IonicContact OE1-NZ 2.76Å; E449-K454 PolarHBondContact OE1-NZ 3.19Å; E449-K454 IonicContact OE2-NZ 3.82Å; E449-K454 PolarHBondContact OE2-NZ 2.88Å; K454-T478 HydrophobicContact CB-CG2 4.22Å; K454-T478 HydrophobicContact CG-CG2 4.42Å; K454-L519 HydrophobicContact CB-CD1 3.75Å; K454-L519 HydrophobicContact CG-CD1 3.45Å; K454-L519 VanDerWaalsContact CG-CD1 3.45Å; K454-L519 HydrophobicContact CG-CD2 4.3Å; K454-T521 PolarHBondContact N-O 3.31Å; K454-I522 CarbonylContact O-C 3.54Å; K454-I522 VanDerWaalsContact O-CA 3.29Å; K454-I522 WeakPolarHBondContact O-CA 3.32Å; K454-V523 PolarHBondContact O-N 3.15Å
455I97.1Very high92.1Very high4 Ų454.2 Ų54.22%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-102.3114.5174.7-52.2172.4000108C428 L429 Y438 I453 V523 V585 V589C428-I455 CarbonylContact C-O 3.56Å; C428-I455 WeakPolarHBondContact CA-O 3.32Å; L429-I455 HydrophobicContact CB-CB 4.02Å; L429-I455 HydrophobicContact CB-CG2 3.85Å; L429-I455 HydrophobicContact CD1-CG2 3.85Å; L429-I455 HydrophobicContact CG-CG2 4.04Å; L429-I455 PolarHBondContact N-O 3.18Å; Y438-I455 HydrophobicContact CD1-CD1 3.22Å; Y438-I455 HydrophobicContact CE1-CD1 3.3Å; Y438-I455 HydrophobicContact CG-CD1 4.15Å; I453-I455 HydrophobicContact CG2-CG1 4.11Å; I455-V523 CarbonylContact C-O 3.59Å; I455-V523 VanDerWaalsContact CA-O 3.31Å; I455-V523 WeakPolarHBondContact CA-O 3.12Å; I455-V523 HydrophobicContact CG1-CB 4.18Å; I455-V523 HydrophobicContact CG2-CB 4.31Å; I455-V523 HydrophobicContact CG2-CG1 4.41Å; I455-V585 HydrophobicContact CD1-CG1 3.99Å; I455-V585 HydrophobicContact CG2-CG1 3.76Å; I455-V589 HydrophobicContact CD1-CG2 3.74Å; I455-V589 HydrophobicContact CG1-CG2 4.35Å
456Y96.7Very high92.7Very high1 Ų149 Ų490%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-110.2128.6-175.4178.9-104.6000110.9S426 F458 F470 M474 R477 V523 I524 D525S426-Y456 VanDerWaalsContact CB-CE2 3.5Å; S426-Y456 VanDerWaalsContact CB-CZ 3.48Å; S426-Y456 WeakPolarHBondContact CB-OH 3.23Å; S426-Y456 PolarHBondContact OG-OH 2.85Å; Y456-F458 HydrophobicContact CE1-CB 3.93Å; Y456-F470 HydrophobicContact CD1-CE2 4Å; Y456-F470 AromaticContact CE1-CD2 3.66Å; Y456-F470 HydrophobicContact CE1-CD2 3.66Å; Y456-F470 AromaticContact CE1-CE2 3.46Å; Y456-F470 HydrophobicContact CE1-CE2 3.46Å; Y456-F470 VanDerWaalsContact CE1-CE2 3.46Å; Y456-F470 HydrophobicContact CE1-CZ 4.36Å; Y456-F470 PolarHBondContact OH-O 2.96Å; Y456-M474 HydrophobicContact CD1-CG 3.28Å; Y456-M474 HydrophobicContact CD1-SD 4.04Å; Y456-M474 HydrophobicContact CD2-CG 4.24Å; Y456-M474 HydrophobicContact CE1-CB 4.39Å; Y456-M474 HydrophobicContact CE1-CG 3.26Å; Y456-M474 HydrophobicContact CE1-SD 4.31Å; Y456-M474 HydrophobicContact CE2-CG 4.23Å; Y456-M474 HydrophobicContact CG-CG 3.79Å; Y456-R477 HydrophobicContact CD2-CB 4.03Å; Y456-R477 HydrophobicContact CD2-CG 4.07Å; Y456-R477 HydrophobicContact CE2-CB 4.2Å; Y456-R477 HydrophobicContact CE2-CG 3.86Å; Y456-V523 PolarHBondContact N-O 3.41Å; Y456-I524 WeakPolarHBondContact O-CA 3.32Å; Y456-D525 PolarHBondContact O-N 2.99Å
457R95.6Very high93.1Very high46 Ų4642.1 Ų42.117%0.17419%0.191CC..EExtended strand (participates in β ladder)trans-121.5133.5174.1-166.3-178.375-1601.8110.1S426 V427 L429 D459 D525S426-R457 VanDerWaalsContact CA-O 3.28Å; S426-R457 WeakPolarHBondContact CA-O 3.49Å; S426-R457 WeakPolarHBondContact CB-O 3.44Å; V427-R457 HydrophobicContact CG1-CB 4.22Å; V427-R457 PolarHBondContact N-O 3.48Å; V427-R457 PolarHBondContact O-N 3.09Å; L429-R457 HydrophobicContact CD1-CB 4.26Å; L429-R457 HydrophobicContact CD2-CB 4.27Å; L429-R457 HydrophobicContact CG-CB 4.26Å; R457-D459 WeakPolarHBondContact CD-OD1 3.49Å; R457-D459 IonicContact CZ-OD1 3.84Å; R457-D459 IonicContact CZ-OD2 2.78Å; R457-D459 IonicContact NE-OD1 3.77Å; R457-D459 PolarHBondContact NE-OD1 3Å; R457-D459 IonicContact NE-OD2 2.6Å; R457-D459 PolarHBondContact NE-OD2 3.4Å; R457-D459 IonicContact NH2-OD1 2.62Å; R457-D459 IonicContact NH2-OD2 3.92Å; R457-D459 PolarHBondContact NH2-OD2 3.29Å; R457-D525 HydrophobicContact CB-CB 4.1Å; R457-D525 WeakPolarHBondContact CD-OD2 3.28Å; R457-D525 HydrophobicContact CG-CB 4.04Å
458F95.3Very high93.4Very high0 Ų046.5 Ų46.50%021%0.21CC..EExtended strand (participates in β ladder)trans-116.8117.4174.9-178.9-97.3000109.1A424 Y456 S460 L462 N466 L469 F470 S528 F529A424-F458 HydrophobicContact CB-CE1 3.99Å; A424-F458 HydrophobicContact CB-CE2 3.95Å; A424-F458 HydrophobicContact CB-CZ 3.6Å; Y456-F458 HydrophobicContact CE1-CB 3.93Å; F458-S460 VanDerWaalsContact C-N 3.3Å; F458-S460 PolarHBondContact O-N 3.45Å; F458-L462 HydrophobicContact CE1-CD1 4.48Å; F458-N466 HydrophobicContact CZ-CB 4.21Å; F458-L469 HydrophobicContact CE2-CD2 4.25Å; F458-L469 HydrophobicContact CE2-CG 4.16Å; F458-L469 HydrophobicContact CZ-CD2 4.41Å; F458-F470 HydrophobicContact CB-CD2 3.6Å; F458-F470 HydrophobicContact CB-CE2 3.93Å; F458-F470 HydrophobicContact CD1-CD2 4.08Å; F458-F470 HydrophobicContact CD2-CB 4.23Å; F458-F470 AromaticContact CD2-CD2 3.98Å; F458-F470 HydrophobicContact CD2-CD2 3.98Å; F458-F470 HydrophobicContact CE1-CB 4.45Å; F458-F470 HydrophobicContact CE2-CB 4.14Å; F458-F470 HydrophobicContact CG-CB 4.47Å; F458-F470 AromaticContact CG-CD2 3.65Å; F458-F470 HydrophobicContact CG-CD2 3.65Å; F458-F470 HydrophobicContact CG-CE2 4.44Å; F458-F470 HydrophobicContact CZ-CB 4.23Å; F458-S528 VanDerWaalsContact O-CB 3.27Å; F458-S528 WeakPolarHBondContact O-CB 3.37Å; F458-F529 HydrophobicContact CB-CE1 3.94Å; F458-F529 HydrophobicContact CB-CZ 4.34Å; F458-F529 AromaticContact CD1-CE1 3.9Å; F458-F529 HydrophobicContact CD1-CE1 3.9Å; F458-F529 HydrophobicContact CG-CE1 4.4Å; F458-F529 WeakPolarHBondContact O-CE1 3.16Å
459D91.5Very high93.6Very high64 Ų6441.9 Ų41.934%0.34220%0.197SC..  trans-90.755.9-165.5-73.8-32000112.5D425 R457 S528D425-D459 PolarHBondContact O-N 3.31Å; R457-D459 WeakPolarHBondContact CD-OD1 3.49Å; R457-D459 IonicContact CZ-OD1 3.84Å; R457-D459 IonicContact CZ-OD2 2.78Å; R457-D459 IonicContact NE-OD1 3.77Å; R457-D459 PolarHBondContact NE-OD1 3Å; R457-D459 IonicContact NE-OD2 2.6Å; R457-D459 PolarHBondContact NE-OD2 3.4Å; R457-D459 IonicContact NH2-OD1 2.62Å; R457-D459 IonicContact NH2-OD2 3.92Å; R457-D459 PolarHBondContact NH2-OD2 3.29Å; D459-S528 WeakPolarHBondContact OD1-CB 3.46Å; D459-S528 PolarHBondContact OD1-OG 3.43Å
460S92.2Very high93.9Very high12 Ų1238.2 Ų38.28%0.08418%0.179CC..SBendtrans-164.7158.1178.7-179.10000112.2F458 N466 F529F458-S460 VanDerWaalsContact C-N 3.3Å; F458-S460 PolarHBondContact O-N 3.45Å; S460-N466 PolarHBondContact OG-ND2 3.12Å; S460-F529 WeakPolarHBondContact O-CD1 3.41Å
461P94.6Very high94.1Very high22 Ų2239 Ų3914%0.14318%0.182CC..  trans-49.9148.5163.122.5-36.1000111.8F463 N466 P530 Y531P461-F463 HydrophobicContact CB-CD1 4.29Å; P461-F463 HydrophobicContact CG-CD1 4.28Å; P461-F463 HydrophobicContact CG-CE1 4.25Å; P461-N466 PolarHBondContact O-ND2 2.6Å; P461-N466 PolarHBondContact O-OD1 2.87Å; P461-P530 HydrophobicContact CB-CG 4.04Å; P461-P530 HydrophobicContact CG-CG 4.44Å; P461-Y531 HydrophobicContact CB-CD1 4.01Å; P461-Y531 HydrophobicContact CB-CD2 4.16Å; P461-Y531 HydrophobicContact CB-CE1 3.63Å; P461-Y531 HydrophobicContact CB-CE2 3.79Å; P461-Y531 HydrophobicContact CB-CG 4.26Å; P461-Y531 HydrophobicContact CG-CE1 4Å
462L95.4Very high94.4Very high0 Ų034.2 Ų34.20%017%0.169CC..BIsolated β-bridgetrans-106106.1179.3-171.965.1000110F458 V467 F470 F529 Y531 I532 D533 V539 M540F458-L462 HydrophobicContact CE1-CD1 4.48Å; L462-V467 HydrophobicContact CD1-CG1 4.2Å; L462-V467 HydrophobicContact CG-CG1 4.38Å; L462-F470 HydrophobicContact CD1-CB 3.56Å; L462-F470 HydrophobicContact CD1-CD1 3.86Å; L462-F470 HydrophobicContact CD1-CD2 4.12Å; L462-F470 HydrophobicContact CD1-CG 3.59Å; L462-F470 HydrophobicContact CD2-CD1 4.22Å; L462-F470 HydrophobicContact CD2-CE1 4.17Å; L462-F470 HydrophobicContact CD2-CZ 4.49Å; L462-F529 HydrophobicContact CB-CD2 4.47Å; L462-F529 HydrophobicContact CB-CE1 4.46Å; L462-F529 HydrophobicContact CB-CE2 4.39Å; L462-F529 HydrophobicContact CB-CZ 4.39Å; L462-F529 HydrophobicContact CD2-CE2 3.98Å; L462-F529 HydrophobicContact CD2-CZ 4.18Å; L462-Y531 PolarHBondContact N-O 3.12Å; L462-I532 HydrophobicContact CB-CB 4.49Å; L462-I532 HydrophobicContact CB-CG2 3.77Å; L462-I532 WeakPolarHBondContact O-CA 3.47Å; L462-I532 WeakPolarHBondContact O-CB 3.39Å; L462-D533 PolarHBondContact O-N 3.32Å; L462-D533 VanDerWaalsContact O-N 3.14Å; L462-V539 HydrophobicContact CD1-CG1 4.22Å; L462-V539 HydrophobicContact CD2-CG1 3.64Å; L462-V539 HydrophobicContact CG-CG1 4.1Å; L462-M540 HydrophobicContact CD2-CG 3.84Å; L462-M540 HydrophobicContact CD2-SD 4.14Å
463F94.8Very high94.5Very high24 Ų2434.3 Ų34.311%0.10517%0.17CC..  trans-145.6169.5-17471.2-71.9000111.1P461 A465 N466 V467 D533P461-F463 HydrophobicContact CB-CD1 4.29Å; P461-F463 HydrophobicContact CG-CD1 4.28Å; P461-F463 HydrophobicContact CG-CE1 4.25Å; F463-A465 HydrophobicContact CD2-CB 3.93Å; F463-A465 HydrophobicContact CE2-CB 3.36Å; F463-A465 HydrophobicContact CZ-CB 3.83Å; F463-A465 PolarHBondContact O-N 2.77Å; F463-N466 HydrophobicContact CE1-CB 4.48Å; F463-N466 VanDerWaalsContact CE1-ND2 3.28Å; F463-N466 WeakPolarHBondContact CE1-ND2 3.28Å; F463-N466 PolarHBondContact N-OD1 3.44Å; F463-N466 PolarHBondContact O-N 3.04Å; F463-N466 PolarHBondContact O-OD1 3.47Å; F463-V467 VanDerWaalsContact O-CG1 3.3Å; F463-V467 WeakPolarHBondContact O-CG1 3.28Å; F463-V467 PolarHBondContact O-N 2.94Å; F463-V467 VanDerWaalsContact O-N 3.16Å; F463-D533 VanDerWaalsContact CA-CG 3.45Å; F463-D533 WeakPolarHBondContact CA-OD1 3.29Å; F463-D533 WeakPolarHBondContact CA-OD2 3.49Å; F463-D533 HydrophobicContact CB-CB 4.21Å; F463-D533 WeakPolarHBondContact CB-OD2 3.04Å
464F94.7Very high94.4Very high141 Ų14134.2 Ų34.262%0.61817%0.17SC*.THydrogen-bonded Turntrans-46.4-32.2-170.276.8-89000115D533 M535F464-D533 PolarHBondContact N-OD1 3Å; F464-D533 PolarHBondContact N-OD2 3.02Å; F464-M535 HydrophobicContact CB-CB 4.03Å; F464-M535 HydrophobicContact CB-CG 3.89Å
465A93.1Very high94.3Very high29 Ų2934.7 Ų34.724%0.2417%0.174CC..THydrogen-bonded Turntrans-81.2-13.4-174.700000114.2Q422 F463Q422-A465 HydrophobicContact CG-CB 3.75Å; F463-A465 HydrophobicContact CD2-CB 3.93Å; F463-A465 HydrophobicContact CE2-CB 3.36Å; F463-A465 HydrophobicContact CZ-CB 3.83Å; F463-A465 PolarHBondContact O-N 2.77Å
466N94.9Very high94Very high2 Ų240.9 Ų40.91%0.01120%0.2CC..THydrogen-bonded Turntrans-132.44.1-178.170.27.6000114.9Q422 F458 S460 P461 F463 E468 L469 F470Q422-N466 WeakPolarHBondContact O-CB 3.43Å; F458-N466 HydrophobicContact CZ-CB 4.21Å; S460-N466 PolarHBondContact OG-ND2 3.12Å; P461-N466 PolarHBondContact O-ND2 2.6Å; P461-N466 PolarHBondContact O-OD1 2.87Å; F463-N466 HydrophobicContact CE1-CB 4.48Å; F463-N466 VanDerWaalsContact CE1-ND2 3.28Å; F463-N466 WeakPolarHBondContact CE1-ND2 3.28Å; F463-N466 PolarHBondContact N-OD1 3.44Å; F463-N466 PolarHBondContact O-N 3.04Å; F463-N466 PolarHBondContact O-OD1 3.47Å; N466-E468 VanDerWaalsContact C-N 3.27Å; N466-E468 PolarHBondContact O-N 2.87Å; N466-L469 WeakPolarHBondContact O-CB 3.49Å; N466-L469 PolarHBondContact O-N 3.37Å; N466-L469 VanDerWaalsContact O-N 3.14Å; N466-F470 PolarHBondContact O-N 2.78Å
467V95Very high93.6Very high5 Ų545.2 Ų45.23%0.0322%0.216CC..Hα-helixtrans-58.1-35.6176.5-67.80000113.7L462 F463 F470 K471 M535 V539L462-V467 HydrophobicContact CD1-CG1 4.2Å; L462-V467 HydrophobicContact CG-CG1 4.38Å; F463-V467 VanDerWaalsContact O-CG1 3.3Å; F463-V467 WeakPolarHBondContact O-CG1 3.28Å; F463-V467 PolarHBondContact O-N 2.94Å; F463-V467 VanDerWaalsContact O-N 3.16Å; V467-F470 WeakPolarHBondContact O-CB 3.37Å; V467-F470 PolarHBondContact O-N 2.86Å; V467-K471 PolarHBondContact O-N 3.5Å; V467-M535 HydrophobicContact CG1-CB 4.21Å; V467-V539 HydrophobicContact CB-CB 4.14Å; V467-V539 HydrophobicContact CB-CG1 4.17Å; V467-V539 HydrophobicContact CB-CG2 4.07Å; V467-V539 HydrophobicContact CG1-CB 4.15Å; V467-V539 HydrophobicContact CG1-CG1 3.94Å
468E93.5Very high93.2Very high101 Ų10143.7 Ų43.747%0.47221%0.212SC..Hα-helixtrans-73-36.7177.6-65.6-54.1139.900111.4N466 F470 K471 E472N466-E468 VanDerWaalsContact C-N 3.27Å; N466-E468 PolarHBondContact O-N 2.87Å; E468-F470 VanDerWaalsContact C-N 3.29Å; E468-F470 PolarHBondContact O-N 2.81Å; E468-K471 WeakPolarHBondContact O-CB 3.43Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 IonicContact OE1-NZ 3.61Å; E468-K471 PolarHBondContact OE1-NZ 2.81Å; E468-K471 VanDerWaalsContact OE1-NZ 3.11Å; E468-K471 WeakPolarHBondContact OE2-CD 3.31Å; E468-E472 WeakPolarHBondContact O-CB 3.05Å; E468-E472 WeakPolarHBondContact O-CG 3.26Å; E468-E472 PolarHBondContact O-N 3.11Å
469L94.2Very high92.7Very high59 Ų5944.8 Ų44.831%0.30922%0.224SC..Hα-helixtrans-63.8-37173.4-174.865.9000111.6Q422 F458 N466 G473Q422-L469 WeakPolarHBondContact O-CD2 3.33Å; F458-L469 HydrophobicContact CE2-CD2 4.25Å; F458-L469 HydrophobicContact CE2-CG 4.16Å; F458-L469 HydrophobicContact CZ-CD2 4.41Å; N466-L469 WeakPolarHBondContact O-CB 3.49Å; N466-L469 PolarHBondContact O-N 3.37Å; N466-L469 VanDerWaalsContact O-N 3.14Å; L469-G473 WeakPolarHBondContact O-CA 3.39Å; L469-G473 PolarHBondContact O-N 3.04Å
470F95.7Very high92.4Very high0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-62.2-48.3173.1173.3-106.8000111.8Y456 F458 L462 N466 V467 E468 G473 M474 I524 F529 V539 I543Y456-F470 HydrophobicContact CD1-CE2 4Å; Y456-F470 AromaticContact CE1-CD2 3.66Å; Y456-F470 HydrophobicContact CE1-CD2 3.66Å; Y456-F470 AromaticContact CE1-CE2 3.46Å; Y456-F470 HydrophobicContact CE1-CE2 3.46Å; Y456-F470 VanDerWaalsContact CE1-CE2 3.46Å; Y456-F470 HydrophobicContact CE1-CZ 4.36Å; Y456-F470 PolarHBondContact OH-O 2.96Å; F458-F470 HydrophobicContact CB-CD2 3.6Å; F458-F470 HydrophobicContact CB-CE2 3.93Å; F458-F470 HydrophobicContact CD1-CD2 4.08Å; F458-F470 HydrophobicContact CD2-CB 4.23Å; F458-F470 AromaticContact CD2-CD2 3.98Å; F458-F470 HydrophobicContact CD2-CD2 3.98Å; F458-F470 HydrophobicContact CE1-CB 4.45Å; F458-F470 HydrophobicContact CE2-CB 4.14Å; F458-F470 HydrophobicContact CG-CB 4.47Å; F458-F470 AromaticContact CG-CD2 3.65Å; F458-F470 HydrophobicContact CG-CD2 3.65Å; F458-F470 HydrophobicContact CG-CE2 4.44Å; F458-F470 HydrophobicContact CZ-CB 4.23Å; L462-F470 HydrophobicContact CD1-CB 3.56Å; L462-F470 HydrophobicContact CD1-CD1 3.86Å; L462-F470 HydrophobicContact CD1-CD2 4.12Å; L462-F470 HydrophobicContact CD1-CG 3.59Å; L462-F470 HydrophobicContact CD2-CD1 4.22Å; L462-F470 HydrophobicContact CD2-CE1 4.17Å; L462-F470 HydrophobicContact CD2-CZ 4.49Å; N466-F470 PolarHBondContact O-N 2.78Å; V467-F470 WeakPolarHBondContact O-CB 3.37Å; V467-F470 PolarHBondContact O-N 2.86Å; E468-F470 VanDerWaalsContact C-N 3.29Å; E468-F470 PolarHBondContact O-N 2.81Å; F470-G473 PolarHBondContact O-N 3.13Å; F470-M474 HydrophobicContact CE1-SD 4.12Å; F470-M474 HydrophobicContact CE2-SD 4.44Å; F470-M474 HydrophobicContact CZ-SD 3.87Å; F470-M474 PolarHBondContact O-N 2.91Å; F470-I524 HydrophobicContact CE2-CG2 4.24Å; F470-I524 HydrophobicContact CZ-CD1 4.19Å; F470-I524 HydrophobicContact CZ-CG2 3.98Å; F470-F529 HydrophobicContact CD2-CZ 4.3Å; F470-F529 AromaticContact CE2-CZ 3.73Å; F470-F529 HydrophobicContact CE2-CZ 3.73Å; F470-F529 HydrophobicContact CZ-CZ 4.25Å; F470-V539 HydrophobicContact CD1-CG1 3.95Å; F470-V539 HydrophobicContact CE1-CG1 4.2Å; F470-I543 HydrophobicContact CD1-CD1 3.69Å; F470-I543 HydrophobicContact CE1-CD1 3.34Å; F470-I543 HydrophobicContact CZ-CD1 4.38Å
471K94.6Very high92.2Very high34 Ų3444.2 Ų44.215%0.14822%0.22CC..Hα-helixtrans-59.4-52.9175.5-81.5165.4155160.40112.2V467 E468 G473 M474 I475 V539 Q542 I543V467-K471 PolarHBondContact O-N 3.5Å; E468-K471 WeakPolarHBondContact O-CB 3.43Å; E468-K471 PolarHBondContact O-N 2.87Å; E468-K471 IonicContact OE1-NZ 3.61Å; E468-K471 PolarHBondContact OE1-NZ 2.81Å; E468-K471 VanDerWaalsContact OE1-NZ 3.11Å; E468-K471 WeakPolarHBondContact OE2-CD 3.31Å; K471-G473 VanDerWaalsContact C-N 3.3Å; K471-G473 PolarHBondContact O-N 3.29Å; K471-M474 WeakPolarHBondContact O-CB 3.35Å; K471-M474 PolarHBondContact O-N 3.32Å; K471-I475 WeakPolarHBondContact O-CG1 3.45Å; K471-I475 PolarHBondContact O-N 3.27Å; K471-V539 HydrophobicContact CD-CG2 3.54Å; K471-V539 HydrophobicContact CG-CG2 3.61Å; K471-Q542 VanDerWaalsContact CE-OE1 3.32Å; K471-I543 HydrophobicContact CG-CD1 3.84Å; K471-I543 HydrophobicContact CG-CG1 4.26Å
472E93.4Very high91.8Very high123 Ų12343.6 Ų43.658%0.57522%0.216SC*.Hα-helixtrans-61.6-40.7179.6-72.6-179.3177.900111.4E468 I475 K476E468-E472 WeakPolarHBondContact O-CB 3.05Å; E468-E472 WeakPolarHBondContact O-CG 3.26Å; E468-E472 PolarHBondContact O-N 3.11Å; E472-I475 PolarHBondContact O-N 2.89Å; E472-K476 VanDerWaalsContact O-CB 3.24Å; E472-K476 WeakPolarHBondContact O-CB 3.3Å; E472-K476 PolarHBondContact O-N 2.87Å
473G93.1Very high91.3Very high10 Ų1047.2 Ų47.210%0.10323%0.234CC..Hα-helixtrans-59-47.6174.100000111.7L469 F470 K471 K476 R477L469-G473 WeakPolarHBondContact O-CA 3.39Å; L469-G473 PolarHBondContact O-N 3.04Å; F470-G473 PolarHBondContact O-N 3.13Å; K471-G473 VanDerWaalsContact C-N 3.3Å; K471-G473 PolarHBondContact O-N 3.29Å; G473-K476 PolarHBondContact O-N 3.11Å; G473-R477 VanDerWaalsContact O-CB 3.22Å; G473-R477 WeakPolarHBondContact O-CB 3.36Å; G473-R477 WeakPolarHBondContact O-CG 3.18Å; G473-R477 PolarHBondContact O-N 3.34Å
474M92.6Very high90.7Very high1 Ų148.4 Ų48.41%0.00525%0.249CC..Hα-helixtrans-59-49.4174.3-86.6-1644600112.5Y456 F470 K471 K476 R477 T478 I522 I524 I543 Y547Y456-M474 HydrophobicContact CD1-CG 3.28Å; Y456-M474 HydrophobicContact CD1-SD 4.04Å; Y456-M474 HydrophobicContact CD2-CG 4.24Å; Y456-M474 HydrophobicContact CE1-CB 4.39Å; Y456-M474 HydrophobicContact CE1-CG 3.26Å; Y456-M474 HydrophobicContact CE1-SD 4.31Å; Y456-M474 HydrophobicContact CE2-CG 4.23Å; Y456-M474 HydrophobicContact CG-CG 3.79Å; F470-M474 HydrophobicContact CE1-SD 4.12Å; F470-M474 HydrophobicContact CE2-SD 4.44Å; F470-M474 HydrophobicContact CZ-SD 3.87Å; F470-M474 PolarHBondContact O-N 2.91Å; K471-M474 WeakPolarHBondContact O-CB 3.35Å; K471-M474 PolarHBondContact O-N 3.32Å; M474-K476 VanDerWaalsContact C-N 3.34Å; M474-K476 PolarHBondContact O-N 3.41Å; M474-R477 PolarHBondContact O-N 3.02Å; M474-T478 WeakPolarHBondContact O-CB 3.48Å; M474-T478 VanDerWaalsContact O-CG2 3.28Å; M474-T478 WeakPolarHBondContact O-CG2 3.27Å; M474-T478 PolarHBondContact O-N 3Å; M474-T478 PolarHBondContact O-OG1 3.41Å; M474-I522 HydrophobicContact CE-CD1 4.28Å; M474-I522 HydrophobicContact CE-CG2 4.05Å; M474-I524 HydrophobicContact CE-CD1 4.18Å; M474-I524 HydrophobicContact SD-CD1 3.62Å; M474-I524 HydrophobicContact SD-CG1 4.02Å; M474-I543 HydrophobicContact CE-CG2 3.46Å; M474-I543 VanDerWaalsContact CE-CG2 3.46Å; M474-I543 HydrophobicContact SD-CD1 3.96Å; M474-I543 HydrophobicContact SD-CG2 3.89Å; M474-Y547 HydrophobicContact CE-CD2 4.24Å; M474-Y547 HydrophobicContact CE-CE2 3.65Å
475I92.9Very high89.9Confident51 Ų5141.8 Ų41.826%0.26222%0.22SC..Hα-helixtrans-60.9-45.7-179.8-68.2167.7000110.3K471 E472 R477 T478 G479 D481K471-I475 WeakPolarHBondContact O-CG1 3.45Å; K471-I475 PolarHBondContact O-N 3.27Å; E472-I475 PolarHBondContact O-N 2.89Å; I475-R477 VanDerWaalsContact C-N 3.34Å; I475-R477 PolarHBondContact O-N 2.92Å; I475-T478 PolarHBondContact O-OG1 3.08Å; I475-G479 WeakPolarHBondContact O-CA 3.43Å; I475-G479 PolarHBondContact O-N 3.16Å; I475-D481 HydrophobicContact CG2-CB 3.72Å
476K90.7Very high88.9Confident134 Ų13447.5 Ų47.558%0.58324%0.235SC*.Hα-helixtrans-62.3-40.3178.7-177.7170.3-176.6159.60112.2E472 G473 M474 E504E472-K476 VanDerWaalsContact O-CB 3.24Å; E472-K476 WeakPolarHBondContact O-CB 3.3Å; E472-K476 PolarHBondContact O-N 2.87Å; G473-K476 PolarHBondContact O-N 3.11Å; M474-K476 VanDerWaalsContact C-N 3.34Å; M474-K476 PolarHBondContact O-N 3.41Å; K476-E504 WeakPolarHBondContact CE-OE1 3.45Å; K476-E504 IonicContact NZ-OE1 2.82Å; K476-E504 PolarHBondContact NZ-OE1 3.25Å
477R87.9Confident87.8Confident91 Ų9154.1 Ų54.134%0.34326%0.264SS..Hα-helixtrans-81-32.1-175.5-71.8-60.3-174.2-161.8-0.4113.7S426 Y456 G473 M474 I475S426-R477 PolarHBondContact O-NE 3.02Å; S426-R477 PolarHBondContact O-NH2 2.96Å; Y456-R477 HydrophobicContact CD2-CB 4.03Å; Y456-R477 HydrophobicContact CD2-CG 4.07Å; Y456-R477 HydrophobicContact CE2-CB 4.2Å; Y456-R477 HydrophobicContact CE2-CG 3.86Å; G473-R477 VanDerWaalsContact O-CB 3.22Å; G473-R477 WeakPolarHBondContact O-CB 3.36Å; G473-R477 WeakPolarHBondContact O-CG 3.18Å; G473-R477 PolarHBondContact O-N 3.34Å; M474-R477 PolarHBondContact O-N 3.02Å; I475-R477 VanDerWaalsContact C-N 3.34Å; I475-R477 PolarHBondContact O-N 2.92Å
478T87.2Confident86.5Confident14 Ų1455.7 Ų55.79%0.08628%0.275CS..Hα-helixtrans-83.9-23174.759.40000112.1K454 M474 I475 I480 L519 I522 Y547K454-T478 HydrophobicContact CB-CG2 4.22Å; K454-T478 HydrophobicContact CG-CG2 4.42Å; M474-T478 WeakPolarHBondContact O-CB 3.48Å; M474-T478 VanDerWaalsContact O-CG2 3.28Å; M474-T478 WeakPolarHBondContact O-CG2 3.27Å; M474-T478 PolarHBondContact O-N 3Å; M474-T478 PolarHBondContact O-OG1 3.41Å; I475-T478 PolarHBondContact O-OG1 3.08Å; T478-I480 PolarHBondContact O-N 3.42Å; T478-I480 PolarHBondContact OG1-N 2.81Å; T478-I480 PolarHBondContact OG1-O 3.16Å; T478-L519 HydrophobicContact CG2-CD2 4.32Å; T478-I522 HydrophobicContact CG2-CD1 3.77Å; T478-I522 HydrophobicContact CG2-CG1 4.01Å; T478-Y547 PolarHBondContact OG1-OH 2.96Å
479G84.3Confident85Confident23 Ų2356.2 Ų56.224%0.23728%0.275CS..SBendtrans73.16.5-174.100000113.5I475I475-G479 WeakPolarHBondContact O-CA 3.43Å; I475-G479 PolarHBondContact O-N 3.16Å
480I85.1Confident83.2Confident8 Ų858.9 Ų58.94%0.04130%0.295CS..  trans-123.9116.2-171.3-69.3168.8000108.8T478 P482 I485 I515 L519 Y547 I550T478-I480 PolarHBondContact O-N 3.42Å; T478-I480 PolarHBondContact OG1-N 2.81Å; T478-I480 PolarHBondContact OG1-O 3.16Å; I480-P482 WeakPolarHBondContact O-CD 3.12Å; I480-I485 HydrophobicContact CG2-CD1 3.63Å; I480-I515 HydrophobicContact CD1-CG2 3.81Å; I480-L519 HydrophobicContact CD1-CB 3.81Å; I480-L519 HydrophobicContact CD1-CD2 3.58Å; I480-L519 HydrophobicContact CD1-CG 4.3Å; I480-Y547 HydrophobicContact CB-CE1 4.35Å; I480-Y547 HydrophobicContact CG2-CE1 3.94Å; I480-Y547 PolarHBondContact O-OH 3.26Å; I480-I550 HydrophobicContact CG2-CD1 3.51Å
481D89Confident81.2Confident57 Ų5765.8 Ų65.831%0.30533%0.331SS..  trans-100.1106.5171.3-179.4-15.3000109.5I475 I483 A484 I485I475-D481 HydrophobicContact CG2-CB 3.72Å; D481-I483 VanDerWaalsContact C-N 3.25Å; D481-I483 PolarHBondContact O-N 3.02Å; D481-I483 WeakPolarHBondContact OD1-CA 3.21Å; D481-I483 WeakPolarHBondContact OD1-CB 3.5Å; D481-I483 PolarHBondContact OD1-N 2.73Å; D481-A484 HydrophobicContact CB-CB 3.81Å; D481-A484 PolarHBondContact O-N 3.24Å; D481-A484 PolarHBondContact OD1-N 2.98Å; D481-A484 WeakPolarHBondContact OD2-CB 3.35Å; D481-I485 WeakPolarHBondContact O-CD1 3.39Å; D481-I485 VanDerWaalsContact O-CG1 3.24Å; D481-I485 WeakPolarHBondContact O-CG1 2.86Å; D481-I485 PolarHBondContact O-N 3.4Å
482P86.3Confident79.1Confident9 Ų966 Ų666%0.05834%0.34CS..Hα-helixtrans-64.3-30.1-178.426.2-33.5000112.8I480 R486 D546 Y547 I550I480-P482 WeakPolarHBondContact O-CD 3.12Å; P482-R486 WeakPolarHBondContact O-CB 3.16Å; P482-R486 PolarHBondContact O-N 3Å; P482-R486 VanDerWaalsContact O-N 3.13Å; P482-D546 HydrophobicContact CB-CB 4.13Å; P482-D546 WeakPolarHBondContact CB-O 3.24Å; P482-D546 HydrophobicContact CG-CB 3.95Å; P482-Y547 HydrophobicContact CG-CD1 4.5Å; P482-Y547 HydrophobicContact CG-CD2 4.04Å; P482-Y547 HydrophobicContact CG-CE1 4.34Å; P482-Y547 HydrophobicContact CG-CE2 3.88Å; P482-Y547 HydrophobicContact CG-CG 4.36Å; P482-I550 HydrophobicContact CB-CD1 3.96Å; P482-I550 HydrophobicContact CB-CG1 4.35Å; P482-I550 HydrophobicContact CB-CG2 4.45Å
483I84.8Confident77.1Confident76 Ų7665.9 Ų65.939%0.3936%0.36SS..Hα-helixtrans-75.2-43-179-58.3175.4000109.8D481 R486 K487D481-I483 VanDerWaalsContact C-N 3.25Å; D481-I483 PolarHBondContact O-N 3.02Å; D481-I483 WeakPolarHBondContact OD1-CA 3.21Å; D481-I483 WeakPolarHBondContact OD1-CB 3.5Å; D481-I483 PolarHBondContact OD1-N 2.73Å; I483-R486 WeakPolarHBondContact O-CB 3.16Å; I483-R486 PolarHBondContact O-N 3.19Å; I483-K487 PolarHBondContact O-N 2.92Å
484A82.3Confident75.2Confident49 Ų4968.6 Ų68.641%0.40538%0.381SS..Hα-helixtrans-63.5-41.9175.500000111.9D481 R486 K487 S488D481-A484 HydrophobicContact CB-CB 3.81Å; D481-A484 PolarHBondContact O-N 3.24Å; D481-A484 PolarHBondContact OD1-N 2.98Å; D481-A484 WeakPolarHBondContact OD2-CB 3.35Å; A484-R486 VanDerWaalsContact C-N 3.27Å; A484-R486 PolarHBondContact O-N 2.77Å; A484-K487 PolarHBondContact O-N 3.36Å; A484-S488 PolarHBondContact O-N 3.19Å
485I77.1Confident73.3Confident2 Ų270.9 Ų70.91%0.0141%0.405CS..Hα-helixtrans-57-43.4174.4-71.1165000110.9I480 D481 S488 K489 V497 L512 I515 I550I480-I485 HydrophobicContact CG2-CD1 3.63Å; D481-I485 WeakPolarHBondContact O-CD1 3.39Å; D481-I485 VanDerWaalsContact O-CG1 3.24Å; D481-I485 WeakPolarHBondContact O-CG1 2.86Å; D481-I485 PolarHBondContact O-N 3.4Å; I485-S488 PolarHBondContact O-N 3.15Å; I485-K489 PolarHBondContact O-N 3.2Å; I485-K489 VanDerWaalsContact O-N 3.11Å; I485-V497 HydrophobicContact CB-CG2 4.33Å; I485-V497 HydrophobicContact CD1-CG1 4.05Å; I485-V497 HydrophobicContact CG1-CB 4.29Å; I485-V497 HydrophobicContact CG1-CG1 3.39Å; I485-V497 HydrophobicContact CG1-CG2 3.9Å; I485-V497 HydrophobicContact CG2-CG2 3.9Å; I485-L512 HydrophobicContact CG2-CD1 4.3Å; I485-I515 HydrophobicContact CD1-CD1 3.8Å; I485-I515 HydrophobicContact CG1-CD1 4.46Å; I485-I550 HydrophobicContact CB-CG2 4.29Å; I485-I550 HydrophobicContact CD1-CD1 3.89Å; I485-I550 HydrophobicContact CG2-CG2 3.81Å
486R72.8Confident71.6Confident148 Ų14872.6 Ų72.656%0.55841%0.414SS*.Hα-helixtrans-63.7-44.5178-176.3-179177.2-172.7-1.3112.2P482 I483 A484 S488 K489 T490P482-R486 WeakPolarHBondContact O-CB 3.16Å; P482-R486 PolarHBondContact O-N 3Å; P482-R486 VanDerWaalsContact O-N 3.13Å; I483-R486 WeakPolarHBondContact O-CB 3.16Å; I483-R486 PolarHBondContact O-N 3.19Å; A484-R486 VanDerWaalsContact C-N 3.27Å; A484-R486 PolarHBondContact O-N 2.77Å; R486-S488 VanDerWaalsContact C-N 3.3Å; R486-S488 PolarHBondContact O-N 2.96Å; R486-K489 WeakPolarHBondContact O-CB 3.5Å; R486-K489 PolarHBondContact O-N 2.71Å; R486-T490 PolarHBondContact O-N 3.29Å; R486-T490 PolarHBondContact O-OG1 3.3Å
487K71.9Confident69.9Low142 Ų14266.9 Ų66.962%0.61739%0.39SS*.Hα-helixtrans-64-35.9177.5-72.1-177.8-179.91780112I483 A484 T490 N491I483-K487 PolarHBondContact O-N 2.92Å; A484-K487 PolarHBondContact O-N 3.36Å; K487-T490 PolarHBondContact O-N 3.24Å; K487-N491 PolarHBondContact O-N 3.14Å
488S67.8Low68.4Low38 Ų3866.3 Ų66.327%0.26641%0.405SS..Hα-helixtrans-63.3-43.1174.1-1730000111.9A484 I485 R486 T490 N491 A492 L496A484-S488 PolarHBondContact O-N 3.19Å; I485-S488 PolarHBondContact O-N 3.15Å; R486-S488 VanDerWaalsContact C-N 3.3Å; R486-S488 PolarHBondContact O-N 2.96Å; S488-T490 PolarHBondContact O-N 3.09Å; S488-N491 PolarHBondContact O-N 3.24Å; S488-N491 VanDerWaalsContact O-N 3.08Å; S488-A492 WeakPolarHBondContact O-CB 3.46Å; S488-A492 PolarHBondContact O-N 3.29Å; S488-L496 PolarHBondContact OG-O 3.25Å
489K60.5Low66.9Low111 Ų11166.3 Ų66.348%0.48341%0.405SS..Hα-helixtrans-57-36.2176.4-74.9-177.2177.8-178.90113.3I485 R486 N491I485-K489 PolarHBondContact O-N 3.2Å; I485-K489 VanDerWaalsContact O-N 3.11Å; R486-K489 WeakPolarHBondContact O-CB 3.5Å; R486-K489 PolarHBondContact O-N 2.71Å; K489-N491 VanDerWaalsContact C-N 3.34Å
490T57Low65.4Low116 Ų11672.1 Ų72.171%0.71242%0.424SS*.Hα-helixtrans-71.6-30.3179.4-42.60000112.3R486 K487 S488R486-T490 PolarHBondContact O-N 3.29Å; R486-T490 PolarHBondContact O-OG1 3.3Å; K487-T490 PolarHBondContact O-N 3.24Å; S488-T490 PolarHBondContact O-N 3.09Å
491N54.2Low63.7Low144 Ų14474 Ų7477%0.7744%0.436SS*.Hα-helixtrans-103.5-27.6-171.3-69-6.7000114.1K487 S488 K489K487-N491 PolarHBondContact O-N 3.14Å; S488-N491 PolarHBondContact O-N 3.24Å; S488-N491 VanDerWaalsContact O-N 3.08Å; K489-N491 VanDerWaalsContact C-N 3.34Å
492A50.2Low61.8Low40 Ų4076.4 Ų76.433%0.33146%0.464SS..  trans-115.9113-173.900000110.9S488 A494S488-A492 WeakPolarHBondContact O-CB 3.46Å; S488-A492 PolarHBondContact O-N 3.29Å; A492-A494 PolarHBondContact O-N 3Å
493A51.3Low59.7Low120 Ų12081.6 Ų81.699%0.99249%0.491SS*.THydrogen-bonded Turntrans-59.8-4.3167.700000113.8
494A52.2Low58.1Low67 Ų6784.2 Ų84.255%0.55450%0.502SS*.THydrogen-bonded Turntrans-98.30.8-168.100000115.7A492 L496A492-A494 PolarHBondContact O-N 3Å; A494-L496 HydrophobicContact CB-CD1 4.14Å; A494-L496 PolarHBondContact O-N 2.99Å
495G54Low56.4Low49 Ų4989.3 Ų89.351%0.50552%0.522SS..  trans61.411.5171.700000116.5
496L56Low54.9Low87 Ų8794.1 Ų94.146%0.45555%0.548SS..EExtended strand (participates in β ladder)trans-99.2137.2-177.1-77.7144.6000111.1S488 A494 A509S488-L496 PolarHBondContact OG-O 3.25Å; A494-L496 HydrophobicContact CB-CD1 4.14Å; A494-L496 PolarHBondContact O-N 2.99Å; L496-A509 HydrophobicContact CB-CB 4.35Å; L496-A509 HydrophobicContact CD2-CB 3.83Å
497V57.1Low53.9Low13 Ų1391.1 Ų91.18%0.07955%0.549CS..EExtended strand (participates in β ladder)trans-122128.1-179.7171.70000109.2I485 V499 A509 I510 I515I485-V497 HydrophobicContact CB-CG2 4.33Å; I485-V497 HydrophobicContact CD1-CG1 4.05Å; I485-V497 HydrophobicContact CG1-CB 4.29Å; I485-V497 HydrophobicContact CG1-CG1 3.39Å; I485-V497 HydrophobicContact CG1-CG2 3.9Å; I485-V497 HydrophobicContact CG2-CG2 3.9Å; V497-V499 HydrophobicContact CG1-CG2 3.98Å; V497-V499 PolarHBondContact O-N 3.14Å; V497-A509 CarbonylContact O-C 3.58Å; V497-A509 VanDerWaalsContact O-CA 3.27Å; V497-A509 WeakPolarHBondContact O-CA 3.25Å; V497-I510 PolarHBondContact N-O 3.48Å; V497-I510 PolarHBondContact O-N 2.63Å; V497-I515 HydrophobicContact CB-CD1 4.14Å; V497-I515 HydrophobicContact CG1-CD1 4.19Å; V497-I515 HydrophobicContact CG2-CD1 4.07Å
498A55.2Low53Low79 Ų7987 Ų8765%0.65354%0.536SS*.EExtended strand (participates in β ladder)trans-70.2109.7167.300000110.3T508A498-T508 CarbonylContact C-O 3.52Å; A498-T508 WeakPolarHBondContact CA-O 3.45Å
499V56.2Low52.5Low14 Ų1488.5 Ų88.59%0.08555%0.551CS.*EExtended strand (participates in β ladder)trans-102.1125.8172.4178.70000108V497 S507 T508 I510V497-V499 HydrophobicContact CG1-CG2 3.98Å; V497-V499 PolarHBondContact O-N 3.14Å; V499-S507 WeakPolarHBondContact O-CA 3.49Å; V499-T508 PolarHBondContact N-O 3.41Å; V499-T508 PolarHBondContact O-N 3.45Å; V499-T508 PolarHBondContact O-OG1 3.32Å; V499-I510 HydrophobicContact CB-CD1 3.7Å; V499-I510 HydrophobicContact CB-CG1 4.32Å; V499-I510 HydrophobicContact CG1-CD1 4.21Å; V499-I510 HydrophobicContact CG2-CB 4.15Å; V499-I510 HydrophobicContact CG2-CD1 3.82Å; V499-I510 HydrophobicContact CG2-CG1 4.21Å
500K53.6Low52.5Low146 Ų14683.6 Ų83.664%0.63553%0.53SS*.EExtended strand (participates in β ladder)trans-71.6129174-70.8-174.1176.3-176.40109.1
501T49.1Very low52.8Low47 Ų4778.8 Ų78.829%0.28850%0.503SS..PPolyproline II helixtrans-79.2170.2171.8640000110.4N503 D506 T508T501-N503 CarbonylContact O-C 3.53Å; T501-N503 PolarHBondContact O-N 2.96Å; T501-N503 VanDerWaalsContact O-N 3.12Å; T501-N503 PolarHBondContact OG1-O 2.97Å; T501-D506 PolarHBondContact N-O 2.99Å; T501-D506 WeakPolarHBondContact OG1-CB 3.42Å; T501-D506 PolarHBondContact OG1-O 3.01Å; T501-T508 HydrophobicContact CG2-CG2 4.09Å
502A48.9Very low53.2Low108 Ų10874.9 Ų74.989%0.89348%0.482SS*.SBendtrans-58.8-22.9-179.800000113.3
503N42.4Very low54Low118 Ų11876.9 Ų76.963%0.63149%0.494SS*.SBendtrans-85.3111.6165-77.1-8.4000108.3T501 N505 D506T501-N503 CarbonylContact O-C 3.53Å; T501-N503 PolarHBondContact O-N 2.96Å; T501-N503 VanDerWaalsContact O-N 3.12Å; T501-N503 PolarHBondContact OG1-O 2.97Å; N503-N505 PolarHBondContact O-N 3.09Å; N503-D506 PolarHBondContact O-N 3.4Å
504E49.9Very low55Low131 Ų13174 Ų7461%0.61246%0.462SS*.THydrogen-bonded Turntrans-54.4-16.7-172.9-72.3-175.6160.300114.7K476K476-E504 WeakPolarHBondContact CE-OE1 3.45Å; K476-E504 IonicContact NZ-OE1 2.82Å; K476-E504 PolarHBondContact NZ-OE1 3.25Å
505N48.1Very low55.9Low156 Ų15671 Ų7183%0.83444%0.436SS*.THydrogen-bonded Turntrans-89.6-13.8-179.9-76.17.4000115.5N503N503-N505 PolarHBondContact O-N 3.09Å
506D44.9Very low56.7Low103 Ų10374.3 Ų74.355%0.55144%0.436SS*.  trans-109113.2-178.8-83.5-23.3000111.5T501 N503T501-D506 PolarHBondContact N-O 2.99Å; T501-D506 WeakPolarHBondContact OG1-CB 3.42Å; T501-D506 PolarHBondContact OG1-O 3.01Å; N503-D506 PolarHBondContact O-N 3.4Å
507S51.9Low57.5Low85 Ų8577.7 Ų77.759%0.59445%0.447SS*.EExtended strand (participates in β ladder)trans-101.9124.9168.844.50000110.3V499V499-S507 WeakPolarHBondContact O-CA 3.49Å
508T53.6Low58.7Low55 Ų5583.8 Ų83.834%0.33747%0.469SS..EExtended strand (participates in β ladder)trans-104.7134.3175.746.50000109.8A498 V499 T501A498-T508 CarbonylContact C-O 3.52Å; A498-T508 WeakPolarHBondContact CA-O 3.45Å; V499-T508 PolarHBondContact N-O 3.41Å; V499-T508 PolarHBondContact O-N 3.45Å; V499-T508 PolarHBondContact O-OG1 3.32Å; T501-T508 HydrophobicContact CG2-CG2 4.09Å
509A55.5Low60.3Low69 Ų6980.3 Ų80.357%0.5744%0.439SS*.EExtended strand (participates in β ladder)trans-81.4120173.200000109.4L496 V497L496-A509 HydrophobicContact CB-CB 4.35Å; L496-A509 HydrophobicContact CD2-CB 3.83Å; V497-A509 CarbonylContact O-C 3.58Å; V497-A509 VanDerWaalsContact O-CA 3.27Å; V497-A509 WeakPolarHBondContact O-CA 3.25Å
510I62.3Low62Low9 Ų980 Ų805%0.04644%0.437CS..EExtended strand (participates in β ladder)trans-128.1138.7-171.4-56.6-177.9000109.2V497 V499 D514 I515V497-I510 PolarHBondContact N-O 3.48Å; V497-I510 PolarHBondContact O-N 2.63Å; V499-I510 HydrophobicContact CB-CD1 3.7Å; V499-I510 HydrophobicContact CB-CG1 4.32Å; V499-I510 HydrophobicContact CG1-CD1 4.21Å; V499-I510 HydrophobicContact CG2-CB 4.15Å; V499-I510 HydrophobicContact CG2-CD1 3.82Å; V499-I510 HydrophobicContact CG2-CG1 4.21Å; I510-D514 HydrophobicContact CG2-CB 3.25Å; I510-I515 HydrophobicContact CG2-CG1 4.43Å
511G63.4Low64.1Low15 Ų1573 Ų7316%0.15541%0.407CS..EExtended strand (participates in β ladder)trans-69.8153.3173.600000112.3S513 D514 I515G511-S513 PolarHBondContact O-N 3.38Å; G511-D514 WeakPolarHBondContact O-CA 3.35Å; G511-D514 WeakPolarHBondContact O-CB 3.42Å; G511-D514 PolarHBondContact O-N 2.92Å; G511-I515 PolarHBondContact O-N 2.95Å; G511-I515 VanDerWaalsContact O-N 3.09Å
512L62.7Low66.4Low62 Ų6270.8 Ų70.833%0.32539%0.393SS..Hα-helixtrans-56-36178.2-16973.5000113I485 D514 I515 K516 I550I485-L512 HydrophobicContact CG2-CD1 4.3Å; L512-D514 PolarHBondContact O-N 3.04Å; L512-I515 HydrophobicContact CD1-CD1 4.2Å; L512-I515 WeakPolarHBondContact O-CB 3.38Å; L512-I515 PolarHBondContact O-N 3.11Å; L512-K516 PolarHBondContact O-N 3.09Å; L512-I550 HydrophobicContact CD1-CB 4.47Å
513S66.7Low68.7Low82 Ų8265.6 Ų65.657%0.57335%0.35SS*.Hα-helixtrans-61.1-33.917447.30000112.7G511 K517G511-S513 PolarHBondContact O-N 3.38Å; S513-K517 PolarHBondContact O-N 3.48Å
514D71.5Confident71.4Confident60 Ų6060 Ų6032%0.32132%0.32SS..Hα-helixtrans-83.1-21.9179.8-63.2-34.1000111.9I510 G511 L512 K517 R518I510-D514 HydrophobicContact CG2-CB 3.25Å; G511-D514 WeakPolarHBondContact O-CA 3.35Å; G511-D514 WeakPolarHBondContact O-CB 3.42Å; G511-D514 PolarHBondContact O-N 2.92Å; L512-D514 PolarHBondContact O-N 3.04Å; D514-K517 PolarHBondContact O-N 3.11Å; D514-K517 IonicContact OD1-NZ 2.78Å; D514-K517 PolarHBondContact OD1-NZ 2.81Å; D514-R518 WeakPolarHBondContact O-CG 3.3Å; D514-R518 PolarHBondContact O-N 3.36Å
515I71.6Confident73.6Confident2 Ų254.3 Ų54.31%0.0129%0.294CS..Hα-helixtrans-60.1-50.3167.3-65.9176.5000109.5I480 I485 V497 I510 G511 L512 K517 R518 L519I480-I515 HydrophobicContact CD1-CG2 3.81Å; I485-I515 HydrophobicContact CD1-CD1 3.8Å; I485-I515 HydrophobicContact CG1-CD1 4.46Å; V497-I515 HydrophobicContact CB-CD1 4.14Å; V497-I515 HydrophobicContact CG1-CD1 4.19Å; V497-I515 HydrophobicContact CG2-CD1 4.07Å; I510-I515 HydrophobicContact CG2-CG1 4.43Å; G511-I515 PolarHBondContact O-N 2.95Å; G511-I515 VanDerWaalsContact O-N 3.09Å; L512-I515 HydrophobicContact CD1-CD1 4.2Å; L512-I515 WeakPolarHBondContact O-CB 3.38Å; L512-I515 PolarHBondContact O-N 3.11Å; I515-K517 VanDerWaalsContact C-N 3.27Å; I515-K517 PolarHBondContact O-N 3.04Å; I515-R518 WeakPolarHBondContact O-CA 3.26Å; I515-R518 PolarHBondContact O-N 3.3Å; I515-L519 PolarHBondContact O-N 3.33Å
516K69.5Low76Confident119 Ų11946.9 Ų46.952%0.51725%0.254SS..Hα-helixtrans-61.9-34.3-179.9-165.4179.6-178.6-174.10112.7L512 R518 H520L512-K516 PolarHBondContact O-N 3.09Å; K516-R518 PolarHBondContact O-N 2.87Å; K516-H520 HydrophobicContact CG-CB 4.26Å
517K74.4Confident78.3Confident158 Ų15844.2 Ų44.269%0.68724%0.244SC*.Hα-helixtrans-66.1-25.8173.5-68.1177.1-168.5159.60113.1S513 D514 I515S513-K517 PolarHBondContact O-N 3.48Å; D514-K517 PolarHBondContact O-N 3.11Å; D514-K517 IonicContact OD1-NZ 2.78Å; D514-K517 PolarHBondContact OD1-NZ 2.81Å; I515-K517 VanDerWaalsContact C-N 3.27Å; I515-K517 PolarHBondContact O-N 3.04Å
518R81Confident80.3Confident141 Ų14141.8 Ų41.853%0.53223%0.227SC..Hα-helixtrans-92.4-40.1179.4-72.7-174.5177.1-160.84.9112.6D514 I515 K516D514-R518 WeakPolarHBondContact O-CG 3.3Å; D514-R518 PolarHBondContact O-N 3.36Å; I515-R518 WeakPolarHBondContact O-CA 3.26Å; I515-R518 PolarHBondContact O-N 3.3Å; K516-R518 PolarHBondContact O-N 2.87Å
519L89.7Confident82.2Confident6 Ų639.1 Ų39.13%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-147.2111.4-177.7-173.665.8000109.3K454 T478 I480 I515 T521 I522 V552K454-L519 HydrophobicContact CB-CD1 3.75Å; K454-L519 HydrophobicContact CG-CD1 3.45Å; K454-L519 VanDerWaalsContact CG-CD1 3.45Å; K454-L519 HydrophobicContact CG-CD2 4.3Å; T478-L519 HydrophobicContact CG2-CD2 4.32Å; I480-L519 HydrophobicContact CD1-CB 3.81Å; I480-L519 HydrophobicContact CD1-CD2 3.58Å; I480-L519 HydrophobicContact CD1-CG 4.3Å; I515-L519 PolarHBondContact O-N 3.33Å; L519-T521 VanDerWaalsContact CD1-O 3.25Å; L519-T521 WeakPolarHBondContact CD1-O 3.49Å; L519-I522 HydrophobicContact CD1-CG1 4.42Å; L519-I522 HydrophobicContact CD2-CD1 4.04Å; L519-I522 HydrophobicContact CD2-CG1 3.81Å; L519-I522 HydrophobicContact CG-CG1 4.36Å; L519-V552 HydrophobicContact CD2-CG1 4.32Å; L519-V552 HydrophobicContact CG-CG1 4.22Å
520H92.3Very high84Confident7 Ų738.7 Ų38.73%0.03220%0.202CC..EExtended strand (participates in β ladder)trans-104.3-25.1173.163.169.4000111.8G452 I453 K516 V552 D553 N596 E598G452-H520 PolarHBondContact O-CD2 2.97Å; G452-H520 PolarHBondContact O-N 3.25Å; I453-H520 VanDerWaalsContact CG1-CE1 3.44Å; I453-H520 WeakPolarHBondContact CG1-CE1 3.36Å; K516-H520 HydrophobicContact CG-CB 4.26Å; H520-V552 WeakPolarHBondContact O-CA 3.32Å; H520-D553 PolarHBondContact O-N 2.91Å; H520-N596 PolarHBondContact CE1-ND2 3.08Å; H520-N596 VanDerWaalsContact CE1-ND2 3.35Å; H520-N596 PolarHBondContact ND1-ND2 3.21Å; H520-E598 IonicContact NE2-OE2 2.7Å
521T96Very high85.6Confident0 Ų044 Ų440%022%0.222CC..EExtended strand (participates in β ladder)trans-139138.8-177.1-60.40000112.6G452 I453 K454 L519 V523 D553 M555 A592G452-T521 PolarHBondContact O-N 2.97Å; G452-T521 VanDerWaalsContact O-N 3.15Å; I453-T521 WeakPolarHBondContact CA-O 3.29Å; K454-T521 PolarHBondContact N-O 3.31Å; L519-T521 VanDerWaalsContact CD1-O 3.25Å; L519-T521 WeakPolarHBondContact CD1-O 3.49Å; T521-V523 HydrophobicContact CG2-CG2 4.12Å; T521-D553 CarbonylContact C-O 3.58Å; T521-D553 VanDerWaalsContact CA-O 3.31Å; T521-D553 WeakPolarHBondContact CA-O 3.39Å; T521-M555 HydrophobicContact CG2-CG 4.08Å; T521-M555 HydrophobicContact CG2-SD 3.48Å; T521-M555 WeakPolarHBondContact CG2-SD 3.03Å; T521-A592 HydrophobicContact CG2-CB 3.74Å
522I97.4Very high87.1Confident0 Ų044 Ų440%022%0.218CC..EExtended strand (participates in β ladder)trans-112.3126.6166.1-61.9163.7000108K454 M474 T478 L519 I524 Y547 V552 D553 V554 M555K454-I522 CarbonylContact O-C 3.54Å; K454-I522 VanDerWaalsContact O-CA 3.29Å; K454-I522 WeakPolarHBondContact O-CA 3.32Å; M474-I522 HydrophobicContact CE-CD1 4.28Å; M474-I522 HydrophobicContact CE-CG2 4.05Å; T478-I522 HydrophobicContact CG2-CD1 3.77Å; T478-I522 HydrophobicContact CG2-CG1 4.01Å; L519-I522 HydrophobicContact CD1-CG1 4.42Å; L519-I522 HydrophobicContact CD2-CD1 4.04Å; L519-I522 HydrophobicContact CD2-CG1 3.81Å; L519-I522 HydrophobicContact CG-CG1 4.36Å; I522-I524 HydrophobicContact CG2-CG1 4.21Å; I522-Y547 HydrophobicContact CD1-CD1 3.4Å; I522-Y547 VanDerWaalsContact CD1-CD1 3.4Å; I522-Y547 HydrophobicContact CD1-CD2 4.28Å; I522-Y547 HydrophobicContact CD1-CE1 3.35Å; I522-Y547 HydrophobicContact CD1-CE2 4.23Å; I522-Y547 HydrophobicContact CD1-CG 3.89Å; I522-V552 HydrophobicContact CD1-CG1 3.8Å; I522-V552 HydrophobicContact CG1-CG1 3.85Å; I522-D553 PolarHBondContact N-O 3.45Å; I522-V554 HydrophobicContact CB-CG2 4.41Å; I522-V554 CarbonylContact O-C 3.53Å; I522-V554 WeakPolarHBondContact O-CA 3.12Å; I522-M555 PolarHBondContact O-N 3.33Å
523V98.2Very high88.7Confident0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-105.1120.7171.4-178.80000108.2I453 K454 I455 Y456 T521 M555 A557 V585 V589I453-V523 HydrophobicContact CG2-CG2 4.02Å; K454-V523 PolarHBondContact O-N 3.15Å; I455-V523 CarbonylContact C-O 3.59Å; I455-V523 VanDerWaalsContact CA-O 3.31Å; I455-V523 WeakPolarHBondContact CA-O 3.12Å; I455-V523 HydrophobicContact CG1-CB 4.18Å; I455-V523 HydrophobicContact CG2-CB 4.31Å; I455-V523 HydrophobicContact CG2-CG1 4.41Å; Y456-V523 PolarHBondContact N-O 3.41Å; T521-V523 HydrophobicContact CG2-CG2 4.12Å; V523-M555 CarbonylContact C-O 3.51Å; V523-M555 HydrophobicContact CG2-CB 4.42Å; V523-A557 HydrophobicContact CG1-CB 3.95Å; V523-V585 HydrophobicContact CG1-CG1 4.33Å; V523-V589 HydrophobicContact CG2-CG2 4.4Å
524I98Very high90.2Very high0 Ų044.5 Ų44.50%021%0.213CC..EExtended strand (participates in β ladder)trans-96.3111175.5-61.2170.1000107.8Y456 F470 M474 I522 C526 I543 V554 M555 F556 A557Y456-I524 WeakPolarHBondContact O-CA 3.32Å; F470-I524 HydrophobicContact CE2-CG2 4.24Å; F470-I524 HydrophobicContact CZ-CD1 4.19Å; F470-I524 HydrophobicContact CZ-CG2 3.98Å; M474-I524 HydrophobicContact CE-CD1 4.18Å; M474-I524 HydrophobicContact SD-CD1 3.62Å; M474-I524 HydrophobicContact SD-CG1 4.02Å; I522-I524 HydrophobicContact CG2-CG1 4.21Å; I524-C526 PolarHBondContact O-N 3.12Å; I524-I543 HydrophobicContact CD1-CG2 4.2Å; I524-V554 HydrophobicContact CD1-CG1 3.45Å; I524-V554 VanDerWaalsContact CD1-CG1 3.45Å; I524-V554 HydrophobicContact CG1-CG1 4.11Å; I524-M555 PolarHBondContact N-O 2.97Å; I524-F556 HydrophobicContact CB-CD1 4Å; I524-F556 HydrophobicContact CB-CE1 4.39Å; I524-F556 HydrophobicContact CD1-CD1 4Å; I524-F556 HydrophobicContact CD1-CE1 3.51Å; I524-F556 HydrophobicContact CD1-CZ 4.23Å; I524-F556 HydrophobicContact CG1-CE1 4.49Å; I524-F556 HydrophobicContact CG2-CD1 4.29Å; I524-A557 PolarHBondContact O-N 3.49Å
525D97.4Very high91.3Very high11 Ų1146.1 Ų46.16%0.05922%0.22CC..EExtended strand (participates in β ladder)trans-75.6106.3172.5177.711.5000110L429 Y456 R457 S527 V585L429-D525 HydrophobicContact CD1-CB 4.31Å; Y456-D525 PolarHBondContact O-N 2.99Å; R457-D525 HydrophobicContact CB-CB 4.1Å; R457-D525 WeakPolarHBondContact CD-OD2 3.28Å; R457-D525 HydrophobicContact CG-CB 4.04Å; D525-S527 VanDerWaalsContact CG-OG 3.24Å; D525-S527 WeakPolarHBondContact OD1-CB 3.4Å; D525-S527 PolarHBondContact OD1-N 2.86Å; D525-S527 PolarHBondContact OD1-OG 3.3Å; D525-S527 PolarHBondContact OD2-OG 2.86Å; D525-V585 HydrophobicContact CB-CG2 3.91Å
526C97.3Very high92.5Very high0 Ų046 Ų460%022%0.219CC..  trans-91.64.9-179.4-56.60000112.9I524 S528 F529 A557 A558 C559I524-C526 PolarHBondContact O-N 3.12Å; C526-S528 PolarHBondContact O-N 3.27Å; C526-F529 HydrophobicContact CB-CD2 3.8Å; C526-F529 HydrophobicContact CB-CE2 4.19Å; C526-F529 HydrophobicContact CB-CG 4.44Å; C526-F529 WeakPolarHBondContact O-CB 3.43Å; C526-F529 PolarHBondContact O-N 3.5Å; C526-A557 WeakPolarHBondContact CA-O 3.14Å; C526-A557 WeakPolarHBondContact CB-O 3.49Å; C526-A557 PolarHBondContact N-O 3.08Å; C526-A558 CarbonylContact C-O 3.59Å; C526-C559 HydrophobicContact CB-CB 4.37Å; C526-C559 VanDerWaalsContact CB-SG 3.56Å
527S94.9Very high93.9Very high48 Ų4840.4 Ų40.434%0.33620%0.195SC..THydrogen-bonded Turntrans-59.7-32.6-179.763.90000112.4D525 F529 A558 K560D525-S527 VanDerWaalsContact CG-OG 3.24Å; D525-S527 WeakPolarHBondContact OD1-CB 3.4Å; D525-S527 PolarHBondContact OD1-N 2.86Å; D525-S527 PolarHBondContact OD1-OG 3.3Å; D525-S527 PolarHBondContact OD2-OG 2.86Å; S527-F529 VanDerWaalsContact C-N 3.28Å; S527-F529 PolarHBondContact O-N 2.96Å; S527-A558 PolarHBondContact N-O 2.87Å; S527-K560 VanDerWaalsContact O-CE 3.28Å; S527-K560 WeakPolarHBondContact O-CE 3.46Å; S527-K560 PolarHBondContact O-NZ 3.31Å
528S92.8Very high94.9Very high33 Ų3336.3 Ų36.323%0.23118%0.178CC..THydrogen-bonded Turntrans-78-0.6176.4-68.50000114.5F458 D459 C526 P530F458-S528 VanDerWaalsContact O-CB 3.27Å; F458-S528 WeakPolarHBondContact O-CB 3.37Å; D459-S528 WeakPolarHBondContact OD1-CB 3.46Å; D459-S528 PolarHBondContact OD1-OG 3.43Å; C526-S528 PolarHBondContact O-N 3.27Å; S528-P530 WeakPolarHBondContact O-CD 3.21Å
529F94.7Very high95.6Very high0 Ų029.8 Ų29.80%015%0.154CC..  trans-91.595175.1-60.9-11.9000109.9F458 S460 L462 F470 C526 S527 Y531 I532 V563F458-F529 HydrophobicContact CB-CE1 3.94Å; F458-F529 HydrophobicContact CB-CZ 4.34Å; F458-F529 AromaticContact CD1-CE1 3.9Å; F458-F529 HydrophobicContact CD1-CE1 3.9Å; F458-F529 HydrophobicContact CG-CE1 4.4Å; F458-F529 WeakPolarHBondContact O-CE1 3.16Å; S460-F529 WeakPolarHBondContact O-CD1 3.41Å; L462-F529 HydrophobicContact CB-CD2 4.47Å; L462-F529 HydrophobicContact CB-CE1 4.46Å; L462-F529 HydrophobicContact CB-CE2 4.39Å; L462-F529 HydrophobicContact CB-CZ 4.39Å; L462-F529 HydrophobicContact CD2-CE2 3.98Å; L462-F529 HydrophobicContact CD2-CZ 4.18Å; F470-F529 HydrophobicContact CD2-CZ 4.3Å; F470-F529 AromaticContact CE2-CZ 3.73Å; F470-F529 HydrophobicContact CE2-CZ 3.73Å; F470-F529 HydrophobicContact CZ-CZ 4.25Å; C526-F529 HydrophobicContact CB-CD2 3.8Å; C526-F529 HydrophobicContact CB-CE2 4.19Å; C526-F529 HydrophobicContact CB-CG 4.44Å; C526-F529 WeakPolarHBondContact O-CB 3.43Å; C526-F529 PolarHBondContact O-N 3.5Å; S527-F529 VanDerWaalsContact C-N 3.28Å; S527-F529 PolarHBondContact O-N 2.96Å; F529-Y531 PolarHBondContact O-N 2.67Å; F529-I532 HydrophobicContact CB-CG2 4.19Å; F529-I532 HydrophobicContact CD2-CG2 4.11Å; F529-I532 HydrophobicContact CG-CG2 4.36Å; F529-V563 HydrophobicContact CB-CG2 4.35Å
530P92.5Very high96Very high59 Ų5929.5 Ų29.538%0.38315%0.152SC..SBendtrans-62.7-35.8174.326.8-35.4000111.8P461 S528P461-P530 HydrophobicContact CB-CG 4.04Å; P461-P530 HydrophobicContact CG-CG 4.44Å; S528-P530 WeakPolarHBondContact O-CD 3.21Å
531Y94.9Very high96.1Very high121 Ų12131.7 Ų31.748%0.47516%0.16SC..  trans-153.5164.3173.965.9-90.7000109.3P461 L462 F529P461-Y531 HydrophobicContact CB-CD1 4.01Å; P461-Y531 HydrophobicContact CB-CD2 4.16Å; P461-Y531 HydrophobicContact CB-CE1 3.63Å; P461-Y531 HydrophobicContact CB-CE2 3.79Å; P461-Y531 HydrophobicContact CB-CG 4.26Å; P461-Y531 HydrophobicContact CG-CE1 4Å; L462-Y531 PolarHBondContact N-O 3.12Å; F529-Y531 PolarHBondContact O-N 2.67Å
532I96.7Very high96.1Very high14 Ų1434.5 Ų34.57%0.07217%0.173CC..BIsolated β-bridgetrans-131.3161.5169.960.2158.1000109.5L462 F529 A537 M540 V563 L566 L567L462-I532 HydrophobicContact CB-CB 4.49Å; L462-I532 HydrophobicContact CB-CG2 3.77Å; L462-I532 WeakPolarHBondContact O-CA 3.47Å; L462-I532 WeakPolarHBondContact O-CB 3.39Å; F529-I532 HydrophobicContact CB-CG2 4.19Å; F529-I532 HydrophobicContact CD2-CG2 4.11Å; F529-I532 HydrophobicContact CG-CG2 4.36Å; I532-A537 HydrophobicContact CD1-CB 4.14Å; I532-M540 HydrophobicContact CD1-SD 4.32Å; I532-V563 HydrophobicContact CD1-CG1 3.78Å; I532-V563 HydrophobicContact CG1-CB 4.35Å; I532-V563 HydrophobicContact CG1-CG1 3.92Å; I532-V563 HydrophobicContact CG1-CG2 4.3Å; I532-V563 HydrophobicContact CG2-CG1 4.17Å; I532-V563 HydrophobicContact CG2-CG2 4.22Å; I532-L566 HydrophobicContact CD1-CB 4.43Å; I532-L566 HydrophobicContact CD1-CD2 4.05Å; I532-L566 HydrophobicContact CG1-CB 4.35Å; I532-L566 HydrophobicContact CG1-CD2 3.68Å; I532-L566 WeakPolarHBondContact O-CD2 3.48Å; I532-L567 HydrophobicContact CD1-CD2 3.67Å; I532-L567 HydrophobicContact CD1-CG 3.98Å
533D96.2Very high96Very high39 Ų3934.9 Ų34.921%0.20918%0.175CC..  trans-110.5-172.6170.276.73.5000111.9L462 F463 F464 M535 G536 A537L462-D533 PolarHBondContact O-N 3.32Å; L462-D533 VanDerWaalsContact O-N 3.14Å; F463-D533 VanDerWaalsContact CA-CG 3.45Å; F463-D533 WeakPolarHBondContact CA-OD1 3.29Å; F463-D533 WeakPolarHBondContact CA-OD2 3.49Å; F463-D533 HydrophobicContact CB-CB 4.21Å; F463-D533 WeakPolarHBondContact CB-OD2 3.04Å; F464-D533 PolarHBondContact N-OD1 3Å; F464-D533 PolarHBondContact N-OD2 3.02Å; D533-M535 VanDerWaalsContact C-N 3.33Å; D533-M535 PolarHBondContact O-N 3.29Å; D533-M535 WeakPolarHBondContact OD1-CA 3.31Å; D533-M535 WeakPolarHBondContact OD1-CB 3.04Å; D533-M535 PolarHBondContact OD1-N 3.44Å; D533-G536 PolarHBondContact O-N 3.23Å; D533-G536 PolarHBondContact OD1-N 3.31Å; D533-A537 PolarHBondContact O-N 3.38Å
534M96.5Very high95.9Very high117 Ų11735.6 Ų35.658%0.57618%0.178SC*.Hα-helixtrans-62.2-38.6179.6-169.660.871.500112.6G536 A537 E538 A570M534-G536 VanDerWaalsContact C-N 3.34Å; M534-A537 PolarHBondContact O-N 3.15Å; M534-E538 WeakPolarHBondContact O-CB 3.26Å; M534-E538 PolarHBondContact O-N 3.22Å; M534-A570 HydrophobicContact CE-CB 4.35Å; M534-A570 HydrophobicContact SD-CB 3.76Å
535M96.2Very high95.8Very high94 Ų9436.9 Ų36.946%0.46319%0.189SC..Hα-helixtrans-70-35.2176.2-68.9-57.4-5800111.3F464 V467 D533 E538 V539F464-M535 HydrophobicContact CB-CB 4.03Å; F464-M535 HydrophobicContact CB-CG 3.89Å; V467-M535 HydrophobicContact CG1-CB 4.21Å; D533-M535 VanDerWaalsContact C-N 3.33Å; D533-M535 PolarHBondContact O-N 3.29Å; D533-M535 WeakPolarHBondContact OD1-CA 3.31Å; D533-M535 WeakPolarHBondContact OD1-CB 3.04Å; D533-M535 PolarHBondContact OD1-N 3.44Å; M535-E538 PolarHBondContact O-N 3.2Å; M535-V539 WeakPolarHBondContact O-CB 3.44Å; M535-V539 PolarHBondContact O-N 3.42Å
536G96.7Very high95.6Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-64.8-40.1172.200000112.8D533 M534 V539 M540D533-G536 PolarHBondContact O-N 3.23Å; D533-G536 PolarHBondContact OD1-N 3.31Å; M534-G536 VanDerWaalsContact C-N 3.34Å; G536-V539 WeakPolarHBondContact O-CG1 3.42Å; G536-M540 VanDerWaalsContact O-CG 3.3Å; G536-M540 WeakPolarHBondContact O-CG 3.47Å; G536-M540 PolarHBondContact O-N 3.43Å
537A97.2Very high95.4Very high1 Ų137.8 Ų37.81%0.00819%0.194CC..Hα-helixtrans-63.6-46.517300000111.4I532 D533 M534 V539 M540 R541 L567 A570 V572I532-A537 HydrophobicContact CD1-CB 4.14Å; D533-A537 PolarHBondContact O-N 3.38Å; M534-A537 PolarHBondContact O-N 3.15Å; A537-V539 PolarHBondContact O-N 3.05Å; A537-M540 PolarHBondContact O-N 3.45Å; A537-R541 PolarHBondContact O-N 3.22Å; A537-R541 VanDerWaalsContact O-N 3.13Å; A537-L567 HydrophobicContact CB-CD2 3.83Å; A537-A570 HydrophobicContact CB-CB 3.93Å; A537-V572 HydrophobicContact CB-CG2 4.06Å
538E96.4Very high95.3Very high72 Ų7239.7 Ų39.734%0.33620%0.196SC..Hα-helixtrans-62.7-40.7179.1174.757.6-167.500112.4M534 M535 M540 R541 Q542M534-E538 WeakPolarHBondContact O-CB 3.26Å; M534-E538 PolarHBondContact O-N 3.22Å; M535-E538 PolarHBondContact O-N 3.2Å; E538-M540 VanDerWaalsContact C-N 3.33Å; E538-M540 PolarHBondContact O-N 3.27Å; E538-R541 WeakPolarHBondContact O-CB 3.42Å; E538-R541 PolarHBondContact O-N 3.42Å; E538-R541 IonicContact OE1-CZ 3.87Å; E538-R541 IonicContact OE1-NE 2.89Å; E538-R541 IonicContact OE1-NH2 2.66Å; E538-R541 PolarHBondContact OE1-NH2 3.1Å; E538-R541 IonicContact OE2-CZ 3.63Å; E538-R541 IonicContact OE2-NE 3.36Å; E538-R541 PolarHBondContact OE2-NE 3.43Å; E538-R541 IonicContact OE2-NH2 3.68Å; E538-R541 PolarHBondContact OE2-NH2 3.18Å; E538-Q542 WeakPolarHBondContact O-CB 3.46Å; E538-Q542 PolarHBondContact O-N 3.29Å
539V96.3Very high95.1Very high3 Ų345.9 Ų45.92%0.01821%0.214CC..Hα-helixtrans-66.2-36.8179.588.70000112L462 V467 F470 K471 M535 G536 A537 Q542 I543L462-V539 HydrophobicContact CD1-CG1 4.22Å; L462-V539 HydrophobicContact CD2-CG1 3.64Å; L462-V539 HydrophobicContact CG-CG1 4.1Å; V467-V539 HydrophobicContact CB-CB 4.14Å; V467-V539 HydrophobicContact CB-CG1 4.17Å; V467-V539 HydrophobicContact CB-CG2 4.07Å; V467-V539 HydrophobicContact CG1-CB 4.15Å; V467-V539 HydrophobicContact CG1-CG1 3.94Å; F470-V539 HydrophobicContact CD1-CG1 3.95Å; F470-V539 HydrophobicContact CE1-CG1 4.2Å; K471-V539 HydrophobicContact CD-CG2 3.54Å; K471-V539 HydrophobicContact CG-CG2 3.61Å; M535-V539 WeakPolarHBondContact O-CB 3.44Å; M535-V539 PolarHBondContact O-N 3.42Å; G536-V539 WeakPolarHBondContact O-CG1 3.42Å; A537-V539 PolarHBondContact O-N 3.05Å; V539-Q542 PolarHBondContact O-N 3.24Å; V539-I543 HydrophobicContact CG2-CD1 4.19Å; V539-I543 WeakPolarHBondContact O-CB 3.2Å; V539-I543 WeakPolarHBondContact O-CG1 3.38Å; V539-I543 PolarHBondContact O-N 2.95Å
540M96.5Very high94.7Very high0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-64.3-46.3175.3-69.6173.872.200110.9L462 I532 G536 A537 E538 Q542 I543 F544 F556 L567 F581L462-M540 HydrophobicContact CD2-CG 3.84Å; L462-M540 HydrophobicContact CD2-SD 4.14Å; I532-M540 HydrophobicContact CD1-SD 4.32Å; G536-M540 VanDerWaalsContact O-CG 3.3Å; G536-M540 WeakPolarHBondContact O-CG 3.47Å; G536-M540 PolarHBondContact O-N 3.43Å; A537-M540 PolarHBondContact O-N 3.45Å; E538-M540 VanDerWaalsContact C-N 3.33Å; E538-M540 PolarHBondContact O-N 3.27Å; M540-Q542 PolarHBondContact O-N 3.05Å; M540-I543 PolarHBondContact O-N 3.16Å; M540-F544 PolarHBondContact O-N 3.47Å; M540-F556 HydrophobicContact CB-CE1 3.85Å; M540-F556 HydrophobicContact CB-CZ 3.98Å; M540-F556 HydrophobicContact CE-CD1 3.26Å; M540-F556 HydrophobicContact CE-CE1 3.47Å; M540-F556 VanDerWaalsContact CE-CE1 3.47Å; M540-F556 HydrophobicContact CE-CG 3.96Å; M540-F556 HydrophobicContact CE-CZ 4.33Å; M540-F556 HydrophobicContact CG-CE1 4Å; M540-F556 WeakPolarHBondContact O-CZ 3.42Å; M540-L567 HydrophobicContact CE-CD1 4.15Å; M540-L567 HydrophobicContact SD-CD2 4.14Å; M540-F581 HydrophobicContact CE-CE1 4.48Å
541R96.2Very high94.5Very high54 Ų5445.6 Ų45.620%0.20422%0.219CC..Hα-helixtrans-58.5-47.2174.7-172.4-168.368.383.2-3.4111.4A537 E538 F544 A545 V572 E575 V576A537-R541 PolarHBondContact O-N 3.22Å; A537-R541 VanDerWaalsContact O-N 3.13Å; E538-R541 WeakPolarHBondContact O-CB 3.42Å; E538-R541 PolarHBondContact O-N 3.42Å; E538-R541 IonicContact OE1-CZ 3.87Å; E538-R541 IonicContact OE1-NE 2.89Å; E538-R541 IonicContact OE1-NH2 2.66Å; E538-R541 PolarHBondContact OE1-NH2 3.1Å; E538-R541 IonicContact OE2-CZ 3.63Å; E538-R541 IonicContact OE2-NE 3.36Å; E538-R541 PolarHBondContact OE2-NE 3.43Å; E538-R541 IonicContact OE2-NH2 3.68Å; E538-R541 PolarHBondContact OE2-NH2 3.18Å; R541-F544 WeakPolarHBondContact O-CB 3.29Å; R541-F544 PolarHBondContact O-N 2.78Å; R541-A545 PolarHBondContact O-N 3.22Å; R541-V572 HydrophobicContact CB-CG1 4.11Å; R541-V572 HydrophobicContact CB-CG2 4.36Å; R541-E575 HydrophobicContact CG-CB 4.38Å; R541-E575 IonicContact CZ-OE2 3.11Å; R541-E575 IonicContact NH1-OE1 3.68Å; R541-E575 PolarHBondContact NH1-OE1 3.22Å; R541-E575 IonicContact NH1-OE2 3.56Å; R541-E575 PolarHBondContact NH1-OE2 3.04Å; R541-V576 HydrophobicContact CG-CG2 4.25Å
542Q95.2Very high94.4Very high58 Ų5839.8 Ų39.827%0.27120%0.196SC..Hα-helixtrans-61.5-48.2-179.9-174.2-175.3-0.900111.8K471 E538 V539 M540 F544 A545 D546K471-Q542 VanDerWaalsContact CE-OE1 3.32Å; E538-Q542 WeakPolarHBondContact O-CB 3.46Å; E538-Q542 PolarHBondContact O-N 3.29Å; V539-Q542 PolarHBondContact O-N 3.24Å; M540-Q542 PolarHBondContact O-N 3.05Å; Q542-F544 VanDerWaalsContact C-N 3.31Å; Q542-F544 PolarHBondContact O-N 3.44Å; Q542-A545 PolarHBondContact O-N 3.26Å; Q542-D546 WeakPolarHBondContact CG-OD2 3.29Å; Q542-D546 PolarHBondContact NE2-OD2 3.32Å; Q542-D546 WeakPolarHBondContact O-CB 3.31Å; Q542-D546 PolarHBondContact O-N 3.09Å
543I95.7Very high94.3Very high8 Ų840 Ų404%0.04120%0.197CC..Hα-helixtrans-60.4-43.2178.9-78.5164.5000110.8F470 K471 M474 I524 V539 M540 A545 D546 Y547 V554F470-I543 HydrophobicContact CD1-CD1 3.69Å; F470-I543 HydrophobicContact CE1-CD1 3.34Å; F470-I543 HydrophobicContact CZ-CD1 4.38Å; K471-I543 HydrophobicContact CG-CD1 3.84Å; K471-I543 HydrophobicContact CG-CG1 4.26Å; M474-I543 HydrophobicContact CE-CG2 3.46Å; M474-I543 VanDerWaalsContact CE-CG2 3.46Å; M474-I543 HydrophobicContact SD-CD1 3.96Å; M474-I543 HydrophobicContact SD-CG2 3.89Å; I524-I543 HydrophobicContact CD1-CG2 4.2Å; V539-I543 HydrophobicContact CG2-CD1 4.19Å; V539-I543 WeakPolarHBondContact O-CB 3.2Å; V539-I543 WeakPolarHBondContact O-CG1 3.38Å; V539-I543 PolarHBondContact O-N 2.95Å; M540-I543 PolarHBondContact O-N 3.16Å; I543-A545 PolarHBondContact O-N 3.27Å; I543-D546 PolarHBondContact O-N 3.46Å; I543-Y547 HydrophobicContact CG2-CD2 3.86Å; I543-Y547 HydrophobicContact CG2-CE2 4.14Å; I543-Y547 WeakPolarHBondContact O-CD2 3.31Å; I543-Y547 PolarHBondContact O-N 2.96Å; I543-V554 HydrophobicContact CG2-CG1 4.26Å; I543-V554 HydrophobicContact CG2-CG2 4.38Å
544F96.6Very high94.4Very high15 Ų1538.1 Ų38.17%0.06619%0.187CC..Hα-helixtrans-56-52.6174.7179-93.2000111.1M540 R541 Q542 D546 K548 V554 F556 V576 Y580M540-F544 PolarHBondContact O-N 3.47Å; R541-F544 WeakPolarHBondContact O-CB 3.29Å; R541-F544 PolarHBondContact O-N 2.78Å; Q542-F544 VanDerWaalsContact C-N 3.31Å; Q542-F544 PolarHBondContact O-N 3.44Å; F544-D546 PolarHBondContact O-N 2.88Å; F544-K548 WeakPolarHBondContact O-CB 3.29Å; F544-K548 PolarHBondContact O-N 3.5Å; F544-V554 HydrophobicContact CD2-CB 4.05Å; F544-V554 VanDerWaalsContact CD2-O 3.31Å; F544-V554 WeakPolarHBondContact CD2-O 3.45Å; F544-V554 WeakPolarHBondContact CE2-O 3.19Å; F544-F556 HydrophobicContact CB-CE2 4.27Å; F544-F556 HydrophobicContact CB-CZ 4.34Å; F544-F556 HydrophobicContact CD2-CE2 4.22Å; F544-V576 HydrophobicContact CB-CG1 4.4Å; F544-V576 HydrophobicContact CB-CG2 3.96Å; F544-V576 HydrophobicContact CD1-CB 4.23Å; F544-V576 HydrophobicContact CD1-CG1 4.01Å; F544-V576 HydrophobicContact CD1-CG2 3.69Å; F544-V576 HydrophobicContact CD2-CG1 3.65Å; F544-V576 HydrophobicContact CE1-CB 4.43Å; F544-V576 HydrophobicContact CE1-CG1 4.14Å; F544-V576 HydrophobicContact CE1-CG2 4.32Å; F544-V576 HydrophobicContact CE2-CG1 3.82Å; F544-V576 HydrophobicContact CG-CB 4.35Å; F544-V576 HydrophobicContact CG-CG1 3.75Å; F544-V576 HydrophobicContact CG-CG2 3.82Å; F544-V576 HydrophobicContact CZ-CG1 4.05Å; F544-Y580 AromaticContact CE2-CD1 3.66Å; F544-Y580 HydrophobicContact CE2-CD1 3.66Å; F544-Y580 AromaticContact CE2-CD2 3.78Å; F544-Y580 HydrophobicContact CE2-CD2 3.78Å; F544-Y580 AromaticContact CE2-CE1 3.92Å; F544-Y580 HydrophobicContact CE2-CE1 3.92Å; F544-Y580 HydrophobicContact CE2-CE2 4.07Å; F544-Y580 AromaticContact CE2-CG 3.57Å; F544-Y580 HydrophobicContact CE2-CG 3.57Å; F544-Y580 HydrophobicContact CZ-CD1 4.4Å; F544-Y580 AromaticContact CZ-CD2 3.81Å; F544-Y580 HydrophobicContact CZ-CD2 3.81Å; F544-Y580 HydrophobicContact CZ-CE1 4.39Å; F544-Y580 AromaticContact CZ-CE2 3.84Å; F544-Y580 HydrophobicContact CZ-CE2 3.84Å; F544-Y580 HydrophobicContact CZ-CG 4.1Å
545A95.4Very high94.4Very high27 Ų2732.6 Ų32.622%0.22316%0.16CC..Hα-helixtrans-62.8-41.6-179.100000113R541 Q542 I543 R549R541-A545 PolarHBondContact O-N 3.22Å; Q542-A545 PolarHBondContact O-N 3.26Å; I543-A545 PolarHBondContact O-N 3.27Å; A545-R549 VanDerWaalsContact O-CG 3.3Å; A545-R549 WeakPolarHBondContact O-CG 3.46Å; A545-R549 PolarHBondContact O-N 2.86Å
546D93.4Very high94.5Very high27 Ų2728.2 Ų28.214%0.14414%0.138CC..Hα-helixtrans-70.2-43-176-76.6-21.7000112.2P482 Q542 I543 F544 R549P482-D546 HydrophobicContact CB-CB 4.13Å; P482-D546 WeakPolarHBondContact CB-O 3.24Å; P482-D546 HydrophobicContact CG-CB 3.95Å; Q542-D546 WeakPolarHBondContact CG-OD2 3.29Å; Q542-D546 PolarHBondContact NE2-OD2 3.32Å; Q542-D546 WeakPolarHBondContact O-CB 3.31Å; Q542-D546 PolarHBondContact O-N 3.09Å; I543-D546 PolarHBondContact O-N 3.46Å; F544-D546 PolarHBondContact O-N 2.88Å; D546-R549 IonicContact OD1-NH1 3.86Å
547Y93.5Very high94.6Very high4 Ų428.2 Ų28.22%0.01614%0.138CC..Hα-helixtrans-73.4-37.5175.5-82.5-83.6000112.5M474 T478 I480 P482 I522 I543 R549 I550 G551 V552 V554M474-Y547 HydrophobicContact CE-CD2 4.24Å; M474-Y547 HydrophobicContact CE-CE2 3.65Å; T478-Y547 PolarHBondContact OG1-OH 2.96Å; I480-Y547 HydrophobicContact CB-CE1 4.35Å; I480-Y547 HydrophobicContact CG2-CE1 3.94Å; I480-Y547 PolarHBondContact O-OH 3.26Å; P482-Y547 HydrophobicContact CG-CD1 4.5Å; P482-Y547 HydrophobicContact CG-CD2 4.04Å; P482-Y547 HydrophobicContact CG-CE1 4.34Å; P482-Y547 HydrophobicContact CG-CE2 3.88Å; P482-Y547 HydrophobicContact CG-CG 4.36Å; I522-Y547 HydrophobicContact CD1-CD1 3.4Å; I522-Y547 VanDerWaalsContact CD1-CD1 3.4Å; I522-Y547 HydrophobicContact CD1-CD2 4.28Å; I522-Y547 HydrophobicContact CD1-CE1 3.35Å; I522-Y547 HydrophobicContact CD1-CE2 4.23Å; I522-Y547 HydrophobicContact CD1-CG 3.89Å; I543-Y547 HydrophobicContact CG2-CD2 3.86Å; I543-Y547 HydrophobicContact CG2-CE2 4.14Å; I543-Y547 WeakPolarHBondContact O-CD2 3.31Å; I543-Y547 PolarHBondContact O-N 2.96Å; Y547-R549 PolarHBondContact O-N 2.85Å; Y547-I550 HydrophobicContact CD1-CD1 3.99Å; Y547-I550 HydrophobicContact CE1-CD1 4.46Å; Y547-I550 WeakPolarHBondContact O-CG1 3.48Å; Y547-I550 PolarHBondContact O-N 3.39Å; Y547-G551 PolarHBondContact O-N 3.45Å; Y547-V552 CarbonylContact C-O 3.6Å; Y547-V552 HydrophobicContact CD1-CB 4.11Å; Y547-V552 HydrophobicContact CD1-CG1 4.12Å; Y547-V552 PolarHBondContact O-N 3.29Å; Y547-V552 VanDerWaalsContact O-N 3.09Å; Y547-V552 VanDerWaalsContact O-O 3.09Å; Y547-V554 VanDerWaalsContact CB-CG2 3.44Å; Y547-V554 HydrophobicContact CD2-CG2 4.18Å; Y547-V554 HydrophobicContact CG-CG2 3.98Å
548K91.9Very high94.6Very high88 Ų8829.4 Ų29.438%0.38315%0.148SC..Hα-helixtrans-58.3-37.1177-173.173-172.1-173.70111.8F544 I550 G551 V552 D553 Y580F544-K548 WeakPolarHBondContact O-CB 3.29Å; F544-K548 PolarHBondContact O-N 3.5Å; K548-I550 VanDerWaalsContact C-N 3.27Å; K548-I550 PolarHBondContact O-N 3.45Å; K548-G551 PolarHBondContact O-N 3.31Å; K548-V552 WeakPolarHBondContact CA-O 3.36Å; K548-V552 PolarHBondContact N-O 2.91Å; K548-D553 WeakPolarHBondContact CD-OD1 3.43Å; K548-D553 IonicContact NZ-OD1 3.93Å; K548-D553 PolarHBondContact NZ-OD1 3.46Å; K548-Y580 PolarHBondContact NZ-OH 2.89Å
549R89.1Confident94.5Very high162 Ų16226.7 Ų26.761%0.61114%0.137SC*.THydrogen-bonded Turntrans-64.8-24176.8-78.9172.7175.6168.10.7114.7A545 D546 Y547A545-R549 VanDerWaalsContact O-CG 3.3Å; A545-R549 WeakPolarHBondContact O-CG 3.46Å; A545-R549 PolarHBondContact O-N 2.86Å; D546-R549 IonicContact OD1-NH1 3.86Å; Y547-R549 PolarHBondContact O-N 2.85Å
550I86.3Confident94.5Very high14 Ų1431 Ų317%0.07216%0.155CC..THydrogen-bonded Turntrans-96.27.2173.362164.2000112.6I480 P482 I485 L512 Y547 K548 V552I480-I550 HydrophobicContact CG2-CD1 3.51Å; P482-I550 HydrophobicContact CB-CD1 3.96Å; P482-I550 HydrophobicContact CB-CG1 4.35Å; P482-I550 HydrophobicContact CB-CG2 4.45Å; I485-I550 HydrophobicContact CB-CG2 4.29Å; I485-I550 HydrophobicContact CD1-CD1 3.89Å; I485-I550 HydrophobicContact CG2-CG2 3.81Å; L512-I550 HydrophobicContact CD1-CB 4.47Å; Y547-I550 HydrophobicContact CD1-CD1 3.99Å; Y547-I550 HydrophobicContact CE1-CD1 4.46Å; Y547-I550 WeakPolarHBondContact O-CG1 3.48Å; Y547-I550 PolarHBondContact O-N 3.39Å; K548-I550 VanDerWaalsContact C-N 3.27Å; K548-I550 PolarHBondContact O-N 3.45Å; I550-V552 HydrophobicContact CD1-CG2 4.08Å; I550-V552 HydrophobicContact CG1-CB 4.43Å; I550-V552 HydrophobicContact CG1-CG2 4.09Å
551G88Confident94.4Very high39 Ų3934.7 Ų34.740%0.40218%0.178SC..THydrogen-bonded Turntrans83.416.2177.200000114.5Y547 K548Y547-G551 PolarHBondContact O-N 3.45Å; K548-G551 PolarHBondContact O-N 3.31Å
552V92.6Very high94.3Very high0 Ų035 Ų350%019%0.189CC..  trans-102.9121.6174.9-179.10000108.6L519 H520 I522 Y547 K548 I550L519-V552 HydrophobicContact CD2-CG1 4.32Å; L519-V552 HydrophobicContact CG-CG1 4.22Å; H520-V552 WeakPolarHBondContact O-CA 3.32Å; I522-V552 HydrophobicContact CD1-CG1 3.8Å; I522-V552 HydrophobicContact CG1-CG1 3.85Å; Y547-V552 CarbonylContact C-O 3.6Å; Y547-V552 HydrophobicContact CD1-CB 4.11Å; Y547-V552 HydrophobicContact CD1-CG1 4.12Å; Y547-V552 PolarHBondContact O-N 3.29Å; Y547-V552 VanDerWaalsContact O-N 3.09Å; Y547-V552 VanDerWaalsContact O-O 3.09Å; K548-V552 WeakPolarHBondContact CA-O 3.36Å; K548-V552 PolarHBondContact N-O 2.91Å; I550-V552 HydrophobicContact CD1-CG2 4.08Å; I550-V552 HydrophobicContact CG1-CB 4.43Å; I550-V552 HydrophobicContact CG1-CG2 4.09Å
553D95.2Very high94.3Very high17 Ų1732.3 Ų32.39%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-76.2136.5175.7-83.9-35.9000110.4H520 T521 I522 K548 Y580 K595H520-D553 PolarHBondContact O-N 2.91Å; T521-D553 CarbonylContact C-O 3.58Å; T521-D553 VanDerWaalsContact CA-O 3.31Å; T521-D553 WeakPolarHBondContact CA-O 3.39Å; I522-D553 PolarHBondContact N-O 3.45Å; K548-D553 WeakPolarHBondContact CD-OD1 3.43Å; K548-D553 IonicContact NZ-OD1 3.93Å; K548-D553 PolarHBondContact NZ-OD1 3.46Å; D553-Y580 HydrophobicContact CB-CE1 3.97Å; D553-Y580 WeakPolarHBondContact OD1-CE1 3.23Å; D553-Y580 PolarHBondContact OD1-OH 3.11Å; D553-K595 IonicContact OD1-NZ 2.66Å; D553-K595 WeakPolarHBondContact OD2-CE 3.34Å; D553-K595 IonicContact OD2-NZ 3.53Å; D553-K595 PolarHBondContact OD2-NZ 3.27Å
554V97.3Very high94.3Very high0 Ų035.8 Ų35.80%019%0.189CC..EExtended strand (participates in β ladder)trans-113.2125.4173.8-179.60000108.9I522 I524 I543 F544 Y547 F556 Y580I522-V554 HydrophobicContact CB-CG2 4.41Å; I522-V554 CarbonylContact O-C 3.53Å; I522-V554 WeakPolarHBondContact O-CA 3.12Å; I524-V554 HydrophobicContact CD1-CG1 3.45Å; I524-V554 VanDerWaalsContact CD1-CG1 3.45Å; I524-V554 HydrophobicContact CG1-CG1 4.11Å; I543-V554 HydrophobicContact CG2-CG1 4.26Å; I543-V554 HydrophobicContact CG2-CG2 4.38Å; F544-V554 HydrophobicContact CD2-CB 4.05Å; F544-V554 VanDerWaalsContact CD2-O 3.31Å; F544-V554 WeakPolarHBondContact CD2-O 3.45Å; F544-V554 WeakPolarHBondContact CE2-O 3.19Å; Y547-V554 VanDerWaalsContact CB-CG2 3.44Å; Y547-V554 HydrophobicContact CD2-CG2 4.18Å; Y547-V554 HydrophobicContact CG-CG2 3.98Å; V554-F556 HydrophobicContact CG1-CE1 4.36Å; V554-F556 HydrophobicContact CG1-CE2 4.28Å; V554-F556 HydrophobicContact CG1-CZ 3.98Å; V554-Y580 WeakPolarHBondContact O-CD1 3.46Å
555M97.8Very high94.2Very high2 Ų240 Ų401%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-119.3144.6-177.3-58172.475.200109.3T521 I522 V523 I524 Y580 H582 S588 Y591 A592T521-M555 HydrophobicContact CG2-CG 4.08Å; T521-M555 HydrophobicContact CG2-SD 3.48Å; T521-M555 WeakPolarHBondContact CG2-SD 3.03Å; I522-M555 PolarHBondContact O-N 3.33Å; V523-M555 CarbonylContact C-O 3.51Å; V523-M555 HydrophobicContact CG2-CB 4.42Å; I524-M555 PolarHBondContact N-O 2.97Å; M555-Y580 CarbonylContact C-O 3.36Å; M555-Y580 WeakPolarHBondContact CA-O 3.47Å; M555-Y580 HydrophobicContact CG-CD1 3.89Å; M555-H582 WeakPolarHBondContact CE-CD2 3.3Å; M555-H582 WeakPolarHBondContact CE-NE2 3.28Å; M555-S588 WeakPolarHBondContact CE-O 3.48Å; M555-Y591 HydrophobicContact CE-CD1 3.29Å; M555-Y591 HydrophobicContact CE-CE1 4.1Å; M555-Y591 HydrophobicContact CE-CG 3.93Å; M555-Y591 HydrophobicContact SD-CD1 4.27Å; M555-A592 HydrophobicContact SD-CB 3.85Å
556F97.8Very high94.3Very high1 Ų140.8 Ų40.80%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-114.8112-178.4-60-81.5000109.6I524 M540 F544 V554 V576 Y580 F581 H582I524-F556 HydrophobicContact CB-CD1 4Å; I524-F556 HydrophobicContact CB-CE1 4.39Å; I524-F556 HydrophobicContact CD1-CD1 4Å; I524-F556 HydrophobicContact CD1-CE1 3.51Å; I524-F556 HydrophobicContact CD1-CZ 4.23Å; I524-F556 HydrophobicContact CG1-CE1 4.49Å; I524-F556 HydrophobicContact CG2-CD1 4.29Å; M540-F556 HydrophobicContact CB-CE1 3.85Å; M540-F556 HydrophobicContact CB-CZ 3.98Å; M540-F556 HydrophobicContact CE-CD1 3.26Å; M540-F556 HydrophobicContact CE-CE1 3.47Å; M540-F556 VanDerWaalsContact CE-CE1 3.47Å; M540-F556 HydrophobicContact CE-CG 3.96Å; M540-F556 HydrophobicContact CE-CZ 4.33Å; M540-F556 HydrophobicContact CG-CE1 4Å; M540-F556 WeakPolarHBondContact O-CZ 3.42Å; F544-F556 HydrophobicContact CB-CE2 4.27Å; F544-F556 HydrophobicContact CB-CZ 4.34Å; F544-F556 HydrophobicContact CD2-CE2 4.22Å; V554-F556 HydrophobicContact CG1-CE1 4.36Å; V554-F556 HydrophobicContact CG1-CE2 4.28Å; V554-F556 HydrophobicContact CG1-CZ 3.98Å; F556-V576 HydrophobicContact CD2-CG1 4.46Å; F556-V576 HydrophobicContact CE2-CG1 4.02Å; F556-Y580 PolarHBondContact N-O 3.39Å; F556-F581 HydrophobicContact CB-CD1 3.54Å; F556-F581 HydrophobicContact CB-CE1 3.57Å; F556-F581 HydrophobicContact CB-CG 4.22Å; F556-F581 HydrophobicContact CB-CZ 4.3Å; F556-F581 HydrophobicContact CD2-CD1 4.26Å; F556-F581 HydrophobicContact CD2-CD2 4.43Å; F556-F581 AromaticContact CD2-CE1 3.71Å; F556-F581 HydrophobicContact CD2-CE1 3.71Å; F556-F581 AromaticContact CD2-CE2 3.94Å; F556-F581 HydrophobicContact CD2-CE2 3.94Å; F556-F581 AromaticContact CD2-CZ 3.54Å; F556-F581 HydrophobicContact CD2-CZ 3.54Å; F556-F581 HydrophobicContact CE2-CZ 4.1Å; F556-F581 HydrophobicContact CG-CD1 4.2Å; F556-F581 AromaticContact CG-CE1 3.74Å; F556-F581 HydrophobicContact CG-CE1 3.74Å; F556-F581 HydrophobicContact CG-CZ 4.06Å; F556-F581 CarbonylContact O-C 3.49Å; F556-F581 VanDerWaalsContact O-CA 3.31Å; F556-F581 WeakPolarHBondContact O-CA 3.27Å; F556-H582 PolarHBondContact O-N 2.78Å
557A97.9Very high94.5Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-99.4148.3-177.800000111.5V523 I524 C526 C559 H582 V585V523-A557 HydrophobicContact CG1-CB 3.95Å; I524-A557 PolarHBondContact O-N 3.49Å; C526-A557 WeakPolarHBondContact CA-O 3.14Å; C526-A557 WeakPolarHBondContact CB-O 3.49Å; C526-A557 PolarHBondContact N-O 3.08Å; A557-C559 VanDerWaalsContact C-N 3.3Å; A557-C559 PolarHBondContact O-N 3.4Å; A557-H582 CarbonylContact C-O 3.53Å; A557-H582 WeakPolarHBondContact CA-O 3.14Å; A557-V585 HydrophobicContact CB-CB 4.27Å; A557-V585 HydrophobicContact CB-CG2 3.74Å
558A96.7Very high94.6Very high27 Ų2743.5 Ų43.522%0.22322%0.22CC..SBendtrans5735.2167.200000115.2C526 S527 K560 H582 P583C526-A558 CarbonylContact C-O 3.59Å; S527-A558 PolarHBondContact N-O 2.87Å; A558-K560 PolarHBondContact O-N 2.88Å; A558-H582 PolarHBondContact N-O 3.35Å; A558-P583 VanDerWaalsContact CA-O 3.25Å; A558-P583 WeakPolarHBondContact CA-O 3.41Å; A558-P583 PolarHBondContact N-O 2.93Å
559C95.7Very high94.7Very high15 Ų1549 Ų4910%0.10124%0.239CC..  trans-67.1120.2174.5-610000111.4C526 A557 V563 R564C526-C559 HydrophobicContact CB-CB 4.37Å; C526-C559 VanDerWaalsContact CB-SG 3.56Å; A557-C559 VanDerWaalsContact C-N 3.3Å; A557-C559 PolarHBondContact O-N 3.4Å; C559-V563 HydrophobicContact CB-CG1 4.36Å; C559-R564 HydrophobicContact CB-CG 3.72Å; C559-R564 PolarHBondContact O-NE 2.91Å
560K95.3Very high95Very high92 Ų9242.9 Ų42.940%0.422%0.223SC..  trans-58.1153.9172.8-66.7-179.5-175162.90111.4S527 A558 S562 V563 R564S527-K560 VanDerWaalsContact O-CE 3.28Å; S527-K560 WeakPolarHBondContact O-CE 3.46Å; S527-K560 PolarHBondContact O-NZ 3.31Å; A558-K560 PolarHBondContact O-N 2.88Å; K560-S562 VanDerWaalsContact C-N 3.29Å; K560-S562 PolarHBondContact O-N 3.31Å; K560-V563 HydrophobicContact CB-CG2 4.32Å; K560-V563 WeakPolarHBondContact O-CB 3.33Å; K560-V563 PolarHBondContact O-N 3.48Å; K560-R564 PolarHBondContact O-N 3.37Å
561V94.1Very high95.4Very high79 Ų7943.2 Ų43.248%0.47923%0.23SC..Hα-helixtrans-54.6-44-178.6-179.90000111.9V563 R564 Q565V561-V563 VanDerWaalsContact C-N 3.3Å; V561-V563 PolarHBondContact O-N 2.78Å; V561-R564 PolarHBondContact O-N 3.03Å; V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 WeakPolarHBondContact O-CG 3.16Å; V561-Q565 PolarHBondContact O-N 3.1Å
562S94.3Very high95.8Very high61 Ų6141.5 Ų41.543%0.42721%0.212SC..Hα-helixtrans-59.6-39.1177.651.10000112.9K560 L566K560-S562 VanDerWaalsContact C-N 3.29Å; K560-S562 PolarHBondContact O-N 3.31Å; S562-L566 PolarHBondContact O-N 3.28Å; S562-L566 VanDerWaalsContact O-N 3.16Å
563V96.8Very high95.9Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-66.7-49.9176.7174.60000109.8F529 I532 C559 K560 V561 Q565 L566 L567F529-V563 HydrophobicContact CB-CG2 4.35Å; I532-V563 HydrophobicContact CD1-CG1 3.78Å; I532-V563 HydrophobicContact CG1-CB 4.35Å; I532-V563 HydrophobicContact CG1-CG1 3.92Å; I532-V563 HydrophobicContact CG1-CG2 4.3Å; I532-V563 HydrophobicContact CG2-CG1 4.17Å; I532-V563 HydrophobicContact CG2-CG2 4.22Å; C559-V563 HydrophobicContact CB-CG1 4.36Å; K560-V563 HydrophobicContact CB-CG2 4.32Å; K560-V563 WeakPolarHBondContact O-CB 3.33Å; K560-V563 PolarHBondContact O-N 3.48Å; V561-V563 VanDerWaalsContact C-N 3.3Å; V561-V563 PolarHBondContact O-N 2.78Å; V563-Q565 VanDerWaalsContact C-N 3.31Å; V563-Q565 PolarHBondContact O-N 3.44Å; V563-L566 PolarHBondContact O-N 2.75Å; V563-L566 VanDerWaalsContact O-N 3.11Å; V563-L567 HydrophobicContact CG1-CD1 4.2Å; V563-L567 HydrophobicContact CG1-CG 4.48Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 2.04Å
564R94.7Very high95.8Very high82 Ų8248.3 Ų48.331%0.30925%0.247SC..Hα-helixtrans-58.5-41.3177.4-69.6-169.4-77146.60.5112.4C559 K560 V561 L566 L567 Q568 N626C559-R564 HydrophobicContact CB-CG 3.72Å; C559-R564 PolarHBondContact O-NE 2.91Å; K560-R564 PolarHBondContact O-N 3.37Å; V561-R564 PolarHBondContact O-N 3.03Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.27Å; R564-L567 PolarHBondContact O-N 3.34Å; R564-Q568 PolarHBondContact O-N 3.34Å; R564-N626 VanDerWaalsContact CZ-OXT 3.28Å; R564-N626 PolarHBondContact NH1-OXT 2.79Å; R564-N626 PolarHBondContact NH2-OXT 2.87Å
565Q95.2Very high95.5Very high103 Ų10353.7 Ų53.748%0.48127%0.272SS..Hα-helixtrans-62.4-39.4176.4-75176.7-8.600112.3V561 V563 R569V561-Q565 HydrophobicContact CG1-CG 4.36Å; V561-Q565 WeakPolarHBondContact O-CG 3.16Å; V561-Q565 PolarHBondContact O-N 3.1Å; V563-Q565 VanDerWaalsContact C-N 3.31Å; V563-Q565 PolarHBondContact O-N 3.44Å; Q565-R569 WeakPolarHBondContact O-CG 3.36Å; Q565-R569 PolarHBondContact O-N 2.97Å; Q565-R569 VanDerWaalsContact O-N 3.14Å
566L96.5Very high95.4Very high44 Ų4453.6 Ų53.623%0.2327%0.271CS..Hα-helixtrans-68.7-43.2175.4-170.268.4000111.6I532 S562 V563 R564 Q568 R569 A570I532-L566 HydrophobicContact CD1-CB 4.43Å; I532-L566 HydrophobicContact CD1-CD2 4.05Å; I532-L566 HydrophobicContact CG1-CB 4.35Å; I532-L566 HydrophobicContact CG1-CD2 3.68Å; I532-L566 WeakPolarHBondContact O-CD2 3.48Å; S562-L566 PolarHBondContact O-N 3.28Å; S562-L566 VanDerWaalsContact O-N 3.16Å; V563-L566 PolarHBondContact O-N 2.75Å; V563-L566 VanDerWaalsContact O-N 3.11Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-L566 PolarHBondContact O-N 3.27Å; L566-Q568 VanDerWaalsContact C-N 3.29Å; L566-Q568 PolarHBondContact O-N 3.13Å; L566-R569 PolarHBondContact O-N 3.35Å; L566-R569 VanDerWaalsContact O-N 3.14Å; L566-A570 VanDerWaalsContact O-CB 3.28Å; L566-A570 WeakPolarHBondContact O-CB 3.12Å; L566-A570 PolarHBondContact O-N 3.21Å
567L97Very high95.2Very high0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-58.2-41.1177-66.2176000112I532 A537 M540 V563 R564 A570 G571 V572 F573 F581I532-L567 HydrophobicContact CD1-CD2 3.67Å; I532-L567 HydrophobicContact CD1-CG 3.98Å; A537-L567 HydrophobicContact CB-CD2 3.83Å; M540-L567 HydrophobicContact CE-CD1 4.15Å; M540-L567 HydrophobicContact SD-CD2 4.14Å; V563-L567 HydrophobicContact CG1-CD1 4.2Å; V563-L567 HydrophobicContact CG1-CG 4.48Å; V563-L567 WeakPolarHBondContact O-CG 3.34Å; V563-L567 PolarHBondContact O-N 2.04Å; R564-L567 PolarHBondContact O-N 3.34Å; L567-A570 PolarHBondContact O-N 3.45Å; L567-G571 PolarHBondContact O-N 3.35Å; L567-V572 HydrophobicContact CB-CB 4.15Å; L567-V572 HydrophobicContact CB-CG2 4.5Å; L567-V572 HydrophobicContact CD2-CB 4.08Å; L567-V572 HydrophobicContact CD2-CG1 4.14Å; L567-V572 HydrophobicContact CD2-CG2 3.83Å; L567-V572 PolarHBondContact O-N 3.23Å; L567-F573 HydrophobicContact CB-CE2 3.96Å; L567-F573 HydrophobicContact CB-CZ 3.96Å; L567-F573 HydrophobicContact CD1-CZ 4.39Å; L567-F581 HydrophobicContact CD1-CD1 4.49Å; L567-F581 HydrophobicContact CD1-CE1 3.52Å; L567-F581 HydrophobicContact CD1-CZ 3.95Å
568Q95.6Very high94.9Very high87 Ų8762.4 Ų62.441%0.40732%0.315SS..Hα-helixtrans-63.7-44.2174.9-176.265.669.500112.1R564 L566 A570 G571 F573R564-Q568 PolarHBondContact O-N 3.34Å; L566-Q568 VanDerWaalsContact C-N 3.29Å; L566-Q568 PolarHBondContact O-N 3.13Å; Q568-A570 VanDerWaalsContact C-N 3.3Å; Q568-A570 PolarHBondContact O-N 3.44Å; Q568-G571 PolarHBondContact O-N 3.25Å; Q568-F573 HydrophobicContact CB-CD2 3.82Å; Q568-F573 HydrophobicContact CB-CE2 3.83Å; Q568-F573 HydrophobicContact CG-CD2 4.41Å
569R95.8Very high94.7Very high204 Ų20466 Ų6677%0.7733%0.327SS*.Hα-helixtrans-69.5-28.9178.7-70.3175.2-172.8175.93.7112.7Q565 L566 G571Q565-R569 WeakPolarHBondContact O-CG 3.36Å; Q565-R569 PolarHBondContact O-N 2.97Å; Q565-R569 VanDerWaalsContact O-N 3.14Å; L566-R569 PolarHBondContact O-N 3.35Å; L566-R569 VanDerWaalsContact O-N 3.14Å; R569-G571 VanDerWaalsContact C-N 3.27Å
570A94.8Very high94.7Very high34 Ų3465.5 Ų65.528%0.28132%0.324SS..THydrogen-bonded Turntrans-82.7-0.6176.400000113.2M534 A537 L566 L567 Q568 V572M534-A570 HydrophobicContact CE-CB 4.35Å; M534-A570 HydrophobicContact SD-CB 3.76Å; A537-A570 HydrophobicContact CB-CB 3.93Å; L566-A570 VanDerWaalsContact O-CB 3.28Å; L566-A570 WeakPolarHBondContact O-CB 3.12Å; L566-A570 PolarHBondContact O-N 3.21Å; L567-A570 PolarHBondContact O-N 3.45Å; Q568-A570 VanDerWaalsContact C-N 3.3Å; Q568-A570 PolarHBondContact O-N 3.44Å; A570-V572 VanDerWaalsContact C-N 3.27Å; A570-V572 HydrophobicContact CB-CG2 4.11Å; A570-V572 PolarHBondContact O-N 3.24Å
571G94.5Very high94.8Very high21 Ų2162.5 Ų62.522%0.21631%0.311CS..THydrogen-bonded Turntrans7215.1-179.600000114.4L567 Q568 R569 F573 D574L567-G571 PolarHBondContact O-N 3.35Å; Q568-G571 PolarHBondContact O-N 3.25Å; R569-G571 VanDerWaalsContact C-N 3.27Å; G571-F573 VanDerWaalsContact C-N 3.26Å; G571-F573 PolarHBondContact O-N 3.49Å; G571-D574 WeakPolarHBondContact CA-OD2 3.39Å; G571-D574 WeakPolarHBondContact O-CB 3.13Å; G571-D574 PolarHBondContact O-N 2.99Å; G571-D574 VanDerWaalsContact O-N 3.14Å
572V95.5Very high94.9Very high2 Ų260.1 Ų60.11%0.01229%0.294CS..Hα-helixtrans-64.2-33.5-176.8176.60000111.6A537 R541 L567 A570 D574 E575 V576A537-V572 HydrophobicContact CB-CG2 4.06Å; R541-V572 HydrophobicContact CB-CG1 4.11Å; R541-V572 HydrophobicContact CB-CG2 4.36Å; L567-V572 HydrophobicContact CB-CB 4.15Å; L567-V572 HydrophobicContact CB-CG2 4.5Å; L567-V572 HydrophobicContact CD2-CB 4.08Å; L567-V572 HydrophobicContact CD2-CG1 4.14Å; L567-V572 HydrophobicContact CD2-CG2 3.83Å; L567-V572 PolarHBondContact O-N 3.23Å; A570-V572 VanDerWaalsContact C-N 3.27Å; A570-V572 HydrophobicContact CB-CG2 4.11Å; A570-V572 PolarHBondContact O-N 3.24Å; V572-D574 PolarHBondContact O-N 2.81Å; V572-E575 PolarHBondContact O-N 2.9Å; V572-V576 HydrophobicContact CG1-CB 4.16Å; V572-V576 HydrophobicContact CG1-CG2 3.81Å; V572-V576 WeakPolarHBondContact O-CB 3.49Å; V572-V576 PolarHBondContact O-N 3.5Å
573F95Very high94.9Very high27 Ų2762.1 Ų62.112%0.11831%0.305CS..Hα-helixtrans-71.4-12.2178.9-63.6-54.9000114.4L567 Q568 G571 E575 V576 K578 F581L567-F573 HydrophobicContact CB-CE2 3.96Å; L567-F573 HydrophobicContact CB-CZ 3.96Å; L567-F573 HydrophobicContact CD1-CZ 4.39Å; Q568-F573 HydrophobicContact CB-CD2 3.82Å; Q568-F573 HydrophobicContact CB-CE2 3.83Å; Q568-F573 HydrophobicContact CG-CD2 4.41Å; G571-F573 VanDerWaalsContact C-N 3.26Å; G571-F573 PolarHBondContact O-N 3.49Å; F573-E575 VanDerWaalsContact C-N 3.3Å; F573-V576 WeakPolarHBondContact CA-O 3.34Å; F573-K578 HydrophobicContact CB-CG 4.34Å; F573-K578 HydrophobicContact CD1-CG 3.79Å; F573-K578 HydrophobicContact CE1-CG 4.3Å; F573-K578 HydrophobicContact CG-CG 4.1Å; F573-F581 HydrophobicContact CD1-CD2 4.09Å; F573-F581 AromaticContact CD1-CE2 3.77Å; F573-F581 HydrophobicContact CD1-CE2 3.77Å; F573-F581 HydrophobicContact CD1-CZ 4.28Å; F573-F581 HydrophobicContact CE1-CD1 4.13Å; F573-F581 AromaticContact CE1-CD2 3.6Å; F573-F581 HydrophobicContact CE1-CD2 3.6Å; F573-F581 HydrophobicContact CE1-CE1 4.03Å; F573-F581 AromaticContact CE1-CE2 3.45Å; F573-F581 HydrophobicContact CE1-CE2 3.45Å; F573-F581 VanDerWaalsContact CE1-CE2 3.45Å; F573-F581 AromaticContact CE1-CG 3.93Å; F573-F581 HydrophobicContact CE1-CG 3.93Å; F573-F581 AromaticContact CE1-CZ 3.69Å; F573-F581 HydrophobicContact CE1-CZ 3.69Å
574D92.8Very high94.9Very high134 Ų13465 Ų6572%0.71732%0.323SS*.Hα-helixtrans-75.3-26.3176.1-56-31.9000110.9G571 V572G571-D574 WeakPolarHBondContact CA-OD2 3.39Å; G571-D574 WeakPolarHBondContact O-CB 3.13Å; G571-D574 PolarHBondContact O-N 2.99Å; G571-D574 VanDerWaalsContact O-N 3.14Å; V572-D574 PolarHBondContact O-N 2.81Å
575E91.5Very high95Very high112 Ų11261.9 Ų61.952%0.52331%0.313SS..Hα-helixtrans-110.6-28.2178.6-66.4-173.2-151.100113.8R541 V572 F573R541-E575 HydrophobicContact CG-CB 4.38Å; R541-E575 IonicContact CZ-OE2 3.11Å; R541-E575 IonicContact NH1-OE1 3.68Å; R541-E575 PolarHBondContact NH1-OE1 3.22Å; R541-E575 IonicContact NH1-OE2 3.56Å; R541-E575 PolarHBondContact NH1-OE2 3.04Å; V572-E575 PolarHBondContact O-N 2.9Å; F573-E575 VanDerWaalsContact C-N 3.3Å
576V95.3Very high95Very high0 Ų057.4 Ų57.40%029%0.292CS..SBendtrans-108.7104.1177.6-1710000108.5R541 F544 F556 V572 F573 K578 F581R541-V576 HydrophobicContact CG-CG2 4.25Å; F544-V576 HydrophobicContact CB-CG1 4.4Å; F544-V576 HydrophobicContact CB-CG2 3.96Å; F544-V576 HydrophobicContact CD1-CB 4.23Å; F544-V576 HydrophobicContact CD1-CG1 4.01Å; F544-V576 HydrophobicContact CD1-CG2 3.69Å; F544-V576 HydrophobicContact CD2-CG1 3.65Å; F544-V576 HydrophobicContact CE1-CB 4.43Å; F544-V576 HydrophobicContact CE1-CG1 4.14Å; F544-V576 HydrophobicContact CE1-CG2 4.32Å; F544-V576 HydrophobicContact CE2-CG1 3.82Å; F544-V576 HydrophobicContact CG-CB 4.35Å; F544-V576 HydrophobicContact CG-CG1 3.75Å; F544-V576 HydrophobicContact CG-CG2 3.82Å; F544-V576 HydrophobicContact CZ-CG1 4.05Å; F556-V576 HydrophobicContact CD2-CG1 4.46Å; F556-V576 HydrophobicContact CE2-CG1 4.02Å; V572-V576 HydrophobicContact CG1-CB 4.16Å; V572-V576 HydrophobicContact CG1-CG2 3.81Å; V572-V576 WeakPolarHBondContact O-CB 3.49Å; V572-V576 PolarHBondContact O-N 3.5Å; F573-V576 WeakPolarHBondContact CA-O 3.34Å; V576-K578 PolarHBondContact O-N 2.96Å; V576-F581 HydrophobicContact CB-CE2 4.11Å; V576-F581 HydrophobicContact CG1-CD2 4.44Å; V576-F581 HydrophobicContact CG1-CE2 3.52Å; V576-F581 HydrophobicContact CG1-CZ 4.17Å
577P93.7Very high94.9Very high54 Ų5458.3 Ų58.335%0.35130%0.298SS..  trans-58141.6-176.7-24.734.1000112.2E579 Y580P577-E579 HydrophobicContact CB-CG 3.67Å; P577-E579 PolarHBondContact O-N 2.71Å; P577-E579 VanDerWaalsContact O-N 3.09Å; P577-Y580 HydrophobicContact CB-CD2 4.05Å; P577-Y580 HydrophobicContact CB-CE2 4.47Å; P577-Y580 HydrophobicContact CG-CD2 4.2Å; P577-Y580 HydrophobicContact CG-CE2 4.3Å; P577-Y580 WeakPolarHBondContact O-CB 3.28Å; P577-Y580 PolarHBondContact O-N 2.85Å
578K92.6Very high94.9Very high133 Ų13358.3 Ų58.358%0.57830%0.298SS*.G310 helixtrans-59.1-23.7-179.4-69.8-178.8178.9176.90113.5F573 V576 Y580 F581F573-K578 HydrophobicContact CB-CG 4.34Å; F573-K578 HydrophobicContact CD1-CG 3.79Å; F573-K578 HydrophobicContact CE1-CG 4.3Å; F573-K578 HydrophobicContact CG-CG 4.1Å; V576-K578 PolarHBondContact O-N 2.96Å; K578-Y580 PolarHBondContact O-N 3.38Å; K578-F581 PolarHBondContact O-N 2.94Å
579E92.7Very high94.8Very high101 Ų10154.2 Ų54.247%0.47228%0.278SS..G310 helixtrans-61.2-18.3173.656.3165.8-166.600114.1P577 F581 H582 Y591P577-E579 HydrophobicContact CB-CG 3.67Å; P577-E579 PolarHBondContact O-N 2.71Å; P577-E579 VanDerWaalsContact O-N 3.09Å; E579-F581 VanDerWaalsContact C-N 3.31Å; E579-H582 PolarHBondContact O-CE1 2.63Å; E579-H582 PolarHBondContact O-NE2 2.9Å; E579-Y591 PolarHBondContact OE2-OH 3.23Å
580Y95.1Very high94.7Very high6 Ų645.4 Ų45.42%0.02425%0.247CC..G310 helixtrans-86.9-1.5174.4-74.9-86.7000113.3F544 K548 D553 V554 M555 F556 P577 K578 K595F544-Y580 AromaticContact CE2-CD1 3.66Å; F544-Y580 HydrophobicContact CE2-CD1 3.66Å; F544-Y580 AromaticContact CE2-CD2 3.78Å; F544-Y580 HydrophobicContact CE2-CD2 3.78Å; F544-Y580 AromaticContact CE2-CE1 3.92Å; F544-Y580 HydrophobicContact CE2-CE1 3.92Å; F544-Y580 HydrophobicContact CE2-CE2 4.07Å; F544-Y580 AromaticContact CE2-CG 3.57Å; F544-Y580 HydrophobicContact CE2-CG 3.57Å; F544-Y580 HydrophobicContact CZ-CD1 4.4Å; F544-Y580 AromaticContact CZ-CD2 3.81Å; F544-Y580 HydrophobicContact CZ-CD2 3.81Å; F544-Y580 HydrophobicContact CZ-CE1 4.39Å; F544-Y580 AromaticContact CZ-CE2 3.84Å; F544-Y580 HydrophobicContact CZ-CE2 3.84Å; F544-Y580 HydrophobicContact CZ-CG 4.1Å; K548-Y580 PolarHBondContact NZ-OH 2.89Å; D553-Y580 HydrophobicContact CB-CE1 3.97Å; D553-Y580 WeakPolarHBondContact OD1-CE1 3.23Å; D553-Y580 PolarHBondContact OD1-OH 3.11Å; V554-Y580 WeakPolarHBondContact O-CD1 3.46Å; M555-Y580 CarbonylContact C-O 3.36Å; M555-Y580 WeakPolarHBondContact CA-O 3.47Å; M555-Y580 HydrophobicContact CG-CD1 3.89Å; F556-Y580 PolarHBondContact N-O 3.39Å; P577-Y580 HydrophobicContact CB-CD2 4.05Å; P577-Y580 HydrophobicContact CB-CE2 4.47Å; P577-Y580 HydrophobicContact CG-CD2 4.2Å; P577-Y580 HydrophobicContact CG-CE2 4.3Å; P577-Y580 WeakPolarHBondContact O-CB 3.28Å; P577-Y580 PolarHBondContact O-N 2.85Å; K578-Y580 PolarHBondContact O-N 3.38Å; Y580-K595 PolarHBondContact OH-NZ 2.87Å
581F96.9Very high94.6Very high29 Ų2946.7 Ų46.713%0.12725%0.245CC..EExtended strand (participates in β ladder)trans-108120.3177.1-70.8-98.4000109.7M540 F556 L567 F573 V576 K578 E579M540-F581 HydrophobicContact CE-CE1 4.48Å; F556-F581 HydrophobicContact CB-CD1 3.54Å; F556-F581 HydrophobicContact CB-CE1 3.57Å; F556-F581 HydrophobicContact CB-CG 4.22Å; F556-F581 HydrophobicContact CB-CZ 4.3Å; F556-F581 HydrophobicContact CD2-CD1 4.26Å; F556-F581 HydrophobicContact CD2-CD2 4.43Å; F556-F581 AromaticContact CD2-CE1 3.71Å; F556-F581 HydrophobicContact CD2-CE1 3.71Å; F556-F581 AromaticContact CD2-CE2 3.94Å; F556-F581 HydrophobicContact CD2-CE2 3.94Å; F556-F581 AromaticContact CD2-CZ 3.54Å; F556-F581 HydrophobicContact CD2-CZ 3.54Å; F556-F581 HydrophobicContact CE2-CZ 4.1Å; F556-F581 HydrophobicContact CG-CD1 4.2Å; F556-F581 AromaticContact CG-CE1 3.74Å; F556-F581 HydrophobicContact CG-CE1 3.74Å; F556-F581 HydrophobicContact CG-CZ 4.06Å; F556-F581 CarbonylContact O-C 3.49Å; F556-F581 VanDerWaalsContact O-CA 3.31Å; F556-F581 WeakPolarHBondContact O-CA 3.27Å; L567-F581 HydrophobicContact CD1-CD1 4.49Å; L567-F581 HydrophobicContact CD1-CE1 3.52Å; L567-F581 HydrophobicContact CD1-CZ 3.95Å; F573-F581 HydrophobicContact CD1-CD2 4.09Å; F573-F581 AromaticContact CD1-CE2 3.77Å; F573-F581 HydrophobicContact CD1-CE2 3.77Å; F573-F581 HydrophobicContact CD1-CZ 4.28Å; F573-F581 HydrophobicContact CE1-CD1 4.13Å; F573-F581 AromaticContact CE1-CD2 3.6Å; F573-F581 HydrophobicContact CE1-CD2 3.6Å; F573-F581 HydrophobicContact CE1-CE1 4.03Å; F573-F581 AromaticContact CE1-CE2 3.45Å; F573-F581 HydrophobicContact CE1-CE2 3.45Å; F573-F581 VanDerWaalsContact CE1-CE2 3.45Å; F573-F581 AromaticContact CE1-CG 3.93Å; F573-F581 HydrophobicContact CE1-CG 3.93Å; F573-F581 AromaticContact CE1-CZ 3.69Å; F573-F581 HydrophobicContact CE1-CZ 3.69Å; V576-F581 HydrophobicContact CB-CE2 4.11Å; V576-F581 HydrophobicContact CG1-CD2 4.44Å; V576-F581 HydrophobicContact CG1-CE2 3.52Å; V576-F581 HydrophobicContact CG1-CZ 4.17Å; K578-F581 PolarHBondContact O-N 2.94Å; E579-F581 VanDerWaalsContact C-N 3.31Å
582H96.8Very high94.6Very high29 Ų2945.8 Ų45.813%0.13424%0.235CC..EExtended strand (participates in β ladder)trans-120.8150.4-177.3-59.5-81.1000112.8M555 F556 A557 A558 E579 T584 D587 S588 Y591M555-H582 WeakPolarHBondContact CE-CD2 3.3Å; M555-H582 WeakPolarHBondContact CE-NE2 3.28Å; F556-H582 PolarHBondContact O-N 2.78Å; A557-H582 CarbonylContact C-O 3.53Å; A557-H582 WeakPolarHBondContact CA-O 3.14Å; A558-H582 PolarHBondContact N-O 3.35Å; E579-H582 PolarHBondContact O-CE1 2.63Å; E579-H582 PolarHBondContact O-NE2 2.9Å; H582-T584 VanDerWaalsContact C-N 3.31Å; H582-T584 PolarHBondContact O-N 3.4Å; H582-D587 HydrophobicContact CB-CB 3.83Å; H582-S588 WeakPolarHBondContact CB-OG 3.34Å; H582-S588 PolarHBondContact CD2-OG 3.31Å; H582-S588 VanDerWaalsContact CD2-OG 3.25Å; H582-Y591 AromaticContact CE1-CG 3.82Å
583P94.1Very high94.4Very high102 Ų10245.7 Ų45.766%0.66224%0.235SC*.SBendtrans-59.6-40.3177.4-23.634.4000112.9A558A558-P583 VanDerWaalsContact CA-O 3.25Å; A558-P583 WeakPolarHBondContact CA-O 3.41Å; A558-P583 PolarHBondContact N-O 2.93Å
584T96.2Very high94.2Very high61 Ų6148 Ų4837%0.37425%0.246SC..SBendtrans-127.4164.8-179.874.40000113.1H582 H586 D587 S588H582-T584 VanDerWaalsContact C-N 3.31Å; H582-T584 PolarHBondContact O-N 3.4Å; T584-H586 VanDerWaalsContact C-N 3.27Å; T584-H586 PolarHBondContact OG1-N 2.93Å; T584-D587 WeakPolarHBondContact CB-OD2 3.31Å; T584-D587 PolarHBondContact N-OD2 3.17Å; T584-D587 PolarHBondContact OG1-N 3.44Å; T584-D587 PolarHBondContact OG1-OD2 2.89Å; T584-S588 PolarHBondContact O-N 3.22Å; T584-S588 PolarHBondContact O-OG 3.14Å
585V96.7Very high93.9Very high17 Ų1745.8 Ų45.810%0.10323%0.23CC..Hα-helixtrans-63.2-38.6171.5175.20000110.2Y438 I455 V523 D525 A557 S588 V589Y438-V585 HydrophobicContact CD1-CG1 4.25Å; Y438-V585 HydrophobicContact CD2-CB 4.15Å; Y438-V585 HydrophobicContact CD2-CG1 3.73Å; Y438-V585 HydrophobicContact CE2-CG1 4.05Å; Y438-V585 HydrophobicContact CG-CG1 3.85Å; I455-V585 HydrophobicContact CD1-CG1 3.99Å; I455-V585 HydrophobicContact CG2-CG1 3.76Å; V523-V585 HydrophobicContact CG1-CG1 4.33Å; D525-V585 HydrophobicContact CB-CG2 3.91Å; A557-V585 HydrophobicContact CB-CB 4.27Å; A557-V585 HydrophobicContact CB-CG2 3.74Å; V585-S588 WeakPolarHBondContact O-CB 3.47Å; V585-S588 PolarHBondContact O-N 2.87Å; V585-V589 HydrophobicContact CG1-CG2 4.49Å; V585-V589 WeakPolarHBondContact O-CG2 3.37Å; V585-V589 PolarHBondContact O-N 2.88Å
586H95.6Very high93.7Very high9 Ų942.8 Ų42.84%0.04222%0.218CC..Hα-helixtrans-63.1-45.1179.4-166.960.7000111.7E436 Y438 T584 S588 V589 V590 Y606E436-H586 HydrophobicContact CB-CB 4.31Å; E436-H586 IonicContact OE2-CD2 3.47Å; Y438-H586 HydrophobicContact CE2-CB 3.89Å; Y438-H586 AromaticContact CE2-ND1 3.77Å; Y438-H586 AromaticContact CZ-ND1 3.86Å; Y438-H586 PolarHBondContact OH-ND1 3.38Å; T584-H586 VanDerWaalsContact C-N 3.27Å; T584-H586 PolarHBondContact OG1-N 2.93Å; H586-S588 VanDerWaalsContact C-N 3.26Å; H586-S588 PolarHBondContact O-N 3.04Å; H586-V589 CarbonylContact O-C 3.55Å; H586-V589 WeakPolarHBondContact O-CA 3.35Å; H586-V589 WeakPolarHBondContact O-CB 3.4Å; H586-V589 PolarHBondContact O-N 2.92Å; H586-V590 WeakPolarHBondContact NE2-CG2 3.5Å; H586-V590 WeakPolarHBondContact O-CG2 3.29Å; H586-V590 PolarHBondContact O-N 2.82Å; H586-Y606 AromaticContact NE2-CE2 3.77Å; H586-Y606 AromaticContact NE2-CZ 3.74Å; H586-Y606 PolarHBondContact NE2-OH 2.93Å
587D94.9Very high93.2Very high63 Ų6346 Ų4634%0.33725%0.251SS..Hα-helixtrans-56.9-41.4176.3-61.5-38.9000111.8H582 T584 V589 V590 Y591H582-D587 HydrophobicContact CB-CB 3.83Å; T584-D587 WeakPolarHBondContact CB-OD2 3.31Å; T584-D587 PolarHBondContact N-OD2 3.17Å; T584-D587 PolarHBondContact OG1-N 3.44Å; T584-D587 PolarHBondContact OG1-OD2 2.89Å; D587-V589 VanDerWaalsContact C-N 3.35Å; D587-V590 PolarHBondContact O-N 3.24Å; D587-Y591 WeakPolarHBondContact O-CB 3.15Å; D587-Y591 PolarHBondContact O-N 3.45Å
588S96Very high92.7Very high0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-62.9-42.6175.5-57.60000111.7M555 H582 T584 V585 H586 A592M555-S588 WeakPolarHBondContact CE-O 3.48Å; H582-S588 WeakPolarHBondContact CB-OG 3.34Å; H582-S588 PolarHBondContact CD2-OG 3.31Å; H582-S588 VanDerWaalsContact CD2-OG 3.25Å; T584-S588 PolarHBondContact O-N 3.22Å; T584-S588 PolarHBondContact O-OG 3.14Å; V585-S588 WeakPolarHBondContact O-CB 3.47Å; V585-S588 PolarHBondContact O-N 2.87Å; H586-S588 VanDerWaalsContact C-N 3.26Å; H586-S588 PolarHBondContact O-N 3.04Å; S588-A592 VanDerWaalsContact O-CB 3.24Å; S588-A592 WeakPolarHBondContact O-CB 3.21Å; S588-A592 PolarHBondContact O-N 3.25Å
589V95.2Very high91.9Very high0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-67.4-44.6178.81700000111.2Y438 I450 I453 I455 V523 V585 H586 D587 Y591 A592 L593Y438-V589 HydrophobicContact CE1-CG2 3.96Å; Y438-V589 WeakPolarHBondContact OH-CB 3.09Å; Y438-V589 WeakPolarHBondContact OH-CG1 3.31Å; Y438-V589 WeakPolarHBondContact OH-CG2 3.3Å; I450-V589 HydrophobicContact CD1-CG1 3.45Å; I450-V589 VanDerWaalsContact CD1-CG1 3.45Å; I450-V589 HydrophobicContact CD1-CG2 4.42Å; I453-V589 HydrophobicContact CD1-CG1 4.2Å; I455-V589 HydrophobicContact CD1-CG2 3.74Å; I455-V589 HydrophobicContact CG1-CG2 4.35Å; V523-V589 HydrophobicContact CG2-CG2 4.4Å; V585-V589 HydrophobicContact CG1-CG2 4.49Å; V585-V589 WeakPolarHBondContact O-CG2 3.37Å; V585-V589 PolarHBondContact O-N 2.88Å; H586-V589 CarbonylContact O-C 3.55Å; H586-V589 WeakPolarHBondContact O-CA 3.35Å; H586-V589 WeakPolarHBondContact O-CB 3.4Å; H586-V589 PolarHBondContact O-N 2.92Å; D587-V589 VanDerWaalsContact C-N 3.35Å; V589-Y591 PolarHBondContact O-N 3.1Å; V589-A592 WeakPolarHBondContact O-CB 3.41Å; V589-A592 PolarHBondContact O-N 3.47Å; V589-L593 HydrophobicContact CG1-CD1 3.83Å; V589-L593 HydrophobicContact CG1-CG 4.31Å; V589-L593 WeakPolarHBondContact O-CB 3.28Å; V589-L593 VanDerWaalsContact O-CG 3.32Å; V589-L593 WeakPolarHBondContact O-CG 3.4Å; V589-L593 PolarHBondContact O-N 3.3Å
590V93Very high91.2Very high20 Ų2046 Ų4612%0.12125%0.245CC..Hα-helixtrans-59.3-49.6177.7172.30000110.1H586 D587 A592 L593 Q594 Y599 L602H586-V590 WeakPolarHBondContact NE2-CG2 3.5Å; H586-V590 WeakPolarHBondContact O-CG2 3.29Å; H586-V590 PolarHBondContact O-N 2.82Å; D587-V590 PolarHBondContact O-N 3.24Å; V590-A592 VanDerWaalsContact C-N 3.34Å; V590-A592 PolarHBondContact O-N 3.12Å; V590-L593 PolarHBondContact O-N 2.96Å; V590-Q594 HydrophobicContact CG1-CG 4.4Å; V590-Q594 WeakPolarHBondContact O-CB 3.34Å; V590-Q594 VanDerWaalsContact O-CG 3.3Å; V590-Q594 WeakPolarHBondContact O-CG 3.32Å; V590-Q594 PolarHBondContact O-N 2.97Å; V590-Y599 HydrophobicContact CG1-CE2 4.26Å; V590-L602 HydrophobicContact CB-CD1 4.39Å; V590-L602 HydrophobicContact CG1-CD1 4.32Å; V590-L602 HydrophobicContact CG2-CD1 3.91Å; V590-L602 HydrophobicContact CG2-CD2 4.37Å
591Y93.4Very high90.4Very high61 Ų6147.6 Ų47.624%0.23926%0.26CS..Hα-helixtrans-61.3-42.1177.5178.9-81.9000111.7M555 E579 H582 D587 V589 L593 Q594 K595M555-Y591 HydrophobicContact CE-CD1 3.29Å; M555-Y591 HydrophobicContact CE-CE1 4.1Å; M555-Y591 HydrophobicContact CE-CG 3.93Å; M555-Y591 HydrophobicContact SD-CD1 4.27Å; E579-Y591 PolarHBondContact OE2-OH 3.23Å; H582-Y591 AromaticContact CE1-CG 3.82Å; D587-Y591 WeakPolarHBondContact O-CB 3.15Å; D587-Y591 PolarHBondContact O-N 3.45Å; V589-Y591 PolarHBondContact O-N 3.1Å; Y591-L593 PolarHBondContact O-N 2.7Å; Y591-Q594 PolarHBondContact O-N 2.78Å; Y591-K595 HydrophobicContact CE1-CD 3.94Å; Y591-K595 VanDerWaalsContact O-CB 3.27Å; Y591-K595 WeakPolarHBondContact O-CB 3.31Å; Y591-K595 PolarHBondContact O-N 3.33Å
592A93.4Very high89.4Confident1 Ų146.3 Ų46.31%0.00825%0.254CS..Hα-helixtrans-60.8-44.8176.800000112.9I453 T521 M555 S588 V589 V590 N596I453-A592 HydrophobicContact CD1-CB 3.79Å; T521-A592 HydrophobicContact CG2-CB 3.74Å; M555-A592 HydrophobicContact SD-CB 3.85Å; S588-A592 VanDerWaalsContact O-CB 3.24Å; S588-A592 WeakPolarHBondContact O-CB 3.21Å; S588-A592 PolarHBondContact O-N 3.25Å; V589-A592 WeakPolarHBondContact O-CB 3.41Å; V589-A592 PolarHBondContact O-N 3.47Å; V590-A592 VanDerWaalsContact C-N 3.34Å; V590-A592 PolarHBondContact O-N 3.12Å; A592-N596 PolarHBondContact O-N 3.1Å; A592-N596 PolarHBondContact O-ND2 3.23Å
593L92Very high88.2Confident0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-68.2-42.2178.6-69.7172.4000111.4I450 I453 V589 V590 Y591 K595 N596 G597 E598 A601 L602I450-L593 HydrophobicContact CG2-CD2 4.15Å; I453-L593 HydrophobicContact CD1-CD2 3.71Å; I453-L593 HydrophobicContact CD1-CG 3.78Å; V589-L593 HydrophobicContact CG1-CD1 3.83Å; V589-L593 HydrophobicContact CG1-CG 4.31Å; V589-L593 WeakPolarHBondContact O-CB 3.28Å; V589-L593 VanDerWaalsContact O-CG 3.32Å; V589-L593 WeakPolarHBondContact O-CG 3.4Å; V589-L593 PolarHBondContact O-N 3.3Å; V590-L593 PolarHBondContact O-N 2.96Å; Y591-L593 PolarHBondContact O-N 2.7Å; L593-K595 PolarHBondContact O-N 3.25Å; L593-N596 PolarHBondContact O-N 2.99Å; L593-G597 PolarHBondContact O-N 3.14Å; L593-E598 HydrophobicContact CD2-CB 3.8Å; L593-E598 PolarHBondContact O-N 2.99Å; L593-A601 HydrophobicContact CD1-CB 4.19Å; L593-A601 HydrophobicContact CD2-CB 4.16Å; L593-L602 HydrophobicContact CD1-CD1 3.98Å; L593-L602 HydrophobicContact CD1-CD2 3.9Å; L593-L602 HydrophobicContact CD1-CG 3.67Å
594Q89.5Confident87.1Confident75 Ų7550.2 Ų50.235%0.3526%0.26SS..Hα-helixtrans-59.6-47.2174.9-74.8178.4-8.400111.4V590 Y591 N596 G597 Y599V590-Q594 HydrophobicContact CG1-CG 4.4Å; V590-Q594 WeakPolarHBondContact O-CB 3.34Å; V590-Q594 VanDerWaalsContact O-CG 3.3Å; V590-Q594 WeakPolarHBondContact O-CG 3.32Å; V590-Q594 PolarHBondContact O-N 2.97Å; Y591-Q594 PolarHBondContact O-N 2.78Å; Q594-N596 PolarHBondContact O-N 3.47Å; Q594-G597 PolarHBondContact O-N 2.62Å; Q594-G597 VanDerWaalsContact O-N 3.16Å; Q594-Y599 HydrophobicContact CG-CD2 3.48Å; Q594-Y599 VanDerWaalsContact CG-CD2 3.48Å; Q594-Y599 HydrophobicContact CG-CE2 3.88Å
595K87.9Confident85.7Confident89 Ų8948.4 Ų48.439%0.38725%0.249SC..Hα-helixtrans-62.6-28.2-179.7-169.8177.4-172.6-178.80113.5D553 Y580 Y591 L593D553-K595 IonicContact OD1-NZ 2.66Å; D553-K595 WeakPolarHBondContact OD2-CE 3.34Å; D553-K595 IonicContact OD2-NZ 3.53Å; D553-K595 PolarHBondContact OD2-NZ 3.27Å; Y580-K595 PolarHBondContact OH-NZ 2.87Å; Y591-K595 HydrophobicContact CE1-CD 3.94Å; Y591-K595 VanDerWaalsContact O-CB 3.27Å; Y591-K595 WeakPolarHBondContact O-CB 3.31Å; Y591-K595 PolarHBondContact O-N 3.33Å; L593-K595 PolarHBondContact O-N 3.25Å
596N87.1Confident84.7Confident49 Ų4950.6 Ų50.626%0.26226%0.256SS..Hα-helixtrans-100.32.6178.7-68.2-79000113.8H520 A592 L593 Q594 E598H520-N596 PolarHBondContact CE1-ND2 3.08Å; H520-N596 VanDerWaalsContact CE1-ND2 3.35Å; H520-N596 PolarHBondContact ND1-ND2 3.21Å; A592-N596 PolarHBondContact O-N 3.1Å; A592-N596 PolarHBondContact O-ND2 3.23Å; L593-N596 PolarHBondContact O-N 2.99Å; Q594-N596 PolarHBondContact O-N 3.47Å; N596-E598 VanDerWaalsContact C-N 3.32Å; N596-E598 HydrophobicContact CB-CG 4.46Å
597G84Confident83Confident68 Ų6855.5 Ų55.570%0.70129%0.288SS*.THydrogen-bonded Turntrans74.418.7179.200000114.5L593 Q594L593-G597 PolarHBondContact O-N 3.14Å; Q594-G597 PolarHBondContact O-N 2.62Å; Q594-G597 VanDerWaalsContact O-N 3.16Å
598E83Confident81.1Confident81 Ų8156.9 Ų56.938%0.37930%0.303SS..  trans-104.428.1-175-61.8-172.3-176.300112.5H520 L593 N596 E600 A601H520-E598 IonicContact NE2-OE2 2.7Å; L593-E598 HydrophobicContact CD2-CB 3.8Å; L593-E598 PolarHBondContact O-N 2.99Å; N596-E598 VanDerWaalsContact C-N 3.32Å; N596-E598 HydrophobicContact CB-CG 4.46Å; E598-E600 PolarHBondContact O-N 3.01Å; E598-E600 VanDerWaalsContact O-N 3.08Å; E598-A601 VanDerWaalsContact O-CB 3.3Å; E598-A601 WeakPolarHBondContact O-CB 3.23Å; E598-A601 PolarHBondContact O-N 2.9Å
599Y76.4Confident78.7Confident79 Ų7961.9 Ų61.931%0.3134%0.338SS..G310 helixtrans-59.9-23.9-176.5-164.8-102.5000113.5V590 Q594 A601 L602V590-Y599 HydrophobicContact CG1-CE2 4.26Å; Q594-Y599 HydrophobicContact CG-CD2 3.48Å; Q594-Y599 VanDerWaalsContact CG-CD2 3.48Å; Q594-Y599 HydrophobicContact CG-CE2 3.88Å; Y599-A601 PolarHBondContact O-N 3.13Å; Y599-A601 VanDerWaalsContact O-N 3.14Å; Y599-L602 HydrophobicContact CD2-CD1 3.72Å; Y599-L602 HydrophobicContact CE2-CD1 3.57Å; Y599-L602 PolarHBondContact O-N 3.34Å
600E77.7Confident76.2Confident127 Ų12770.5 Ų70.559%0.59338%0.378SS*.G310 helixtrans-60.2-22.2175.1-60.1-163.2144.600113.3E598 L602 R603E598-E600 PolarHBondContact O-N 3.01Å; E598-E600 VanDerWaalsContact O-N 3.08Å; E600-L602 PolarHBondContact O-N 2.93Å; E600-L602 VanDerWaalsContact O-N 3.12Å; E600-R603 WeakPolarHBondContact O-CB 3.45Å; E600-R603 WeakPolarHBondContact O-CG 3.46Å; E600-R603 PolarHBondContact O-N 2.92Å; E600-R603 VanDerWaalsContact O-N 3.12Å; E600-R603 IonicContact OE1-CZ 3.39Å; E600-R603 IonicContact OE1-NH1 2.72Å; E600-R603 IonicContact OE1-NH2 2.73Å; E600-R603 PolarHBondContact OE1-NH2 3.36Å; E600-R603 IonicContact OE2-NH1 3.6Å
601A78.8Confident73.7Confident40 Ų4075.4 Ų75.433%0.33141%0.408SS..G310 helixtrans-67.3-5.1174.400000113.8R431 L593 E598 Y599R431-A601 PolarHBondContact NH1-O 3.5Å; R431-A601 VanDerWaalsContact NH1-O 3.14Å; R431-A601 PolarHBondContact NH2-O 2.64Å; L593-A601 HydrophobicContact CD1-CB 4.19Å; L593-A601 HydrophobicContact CD2-CB 4.16Å; E598-A601 VanDerWaalsContact O-CB 3.3Å; E598-A601 WeakPolarHBondContact O-CB 3.23Å; E598-A601 PolarHBondContact O-N 2.9Å; Y599-A601 PolarHBondContact O-N 3.13Å; Y599-A601 VanDerWaalsContact O-N 3.14Å
602L75.3Confident71.2Confident1 Ų178.3 Ų78.31%0.00543%0.427CS..G310 helixtrans-102.92.1174-64163.3000113.4V590 L593 Y599 E600 D604 V605 Y606V590-L602 HydrophobicContact CB-CD1 4.39Å; V590-L602 HydrophobicContact CG1-CD1 4.32Å; V590-L602 HydrophobicContact CG2-CD1 3.91Å; V590-L602 HydrophobicContact CG2-CD2 4.37Å; L593-L602 HydrophobicContact CD1-CD1 3.98Å; L593-L602 HydrophobicContact CD1-CD2 3.9Å; L593-L602 HydrophobicContact CD1-CG 3.67Å; Y599-L602 HydrophobicContact CD2-CD1 3.72Å; Y599-L602 HydrophobicContact CE2-CD1 3.57Å; Y599-L602 PolarHBondContact O-N 3.34Å; E600-L602 PolarHBondContact O-N 2.93Å; E600-L602 VanDerWaalsContact O-N 3.12Å; L602-D604 PolarHBondContact O-N 3.47Å; L602-V605 PolarHBondContact O-N 2.98Å; L602-Y606 HydrophobicContact CB-CD2 4.02Å; L602-Y606 PolarHBondContact O-N 3.45Å
603R72.7Confident68.4Low143 Ų14389.6 Ų89.654%0.5447%0.469SS..THydrogen-bonded Turntrans-59.9-30.4-177.8-83.7-174176.2148.99.6114.1E600 V605 Y606 P607E600-R603 WeakPolarHBondContact O-CB 3.45Å; E600-R603 WeakPolarHBondContact O-CG 3.46Å; E600-R603 PolarHBondContact O-N 2.92Å; E600-R603 VanDerWaalsContact O-N 3.12Å; E600-R603 IonicContact OE1-CZ 3.39Å; E600-R603 IonicContact OE1-NH1 2.72Å; E600-R603 IonicContact OE1-NH2 2.73Å; E600-R603 PolarHBondContact OE1-NH2 3.36Å; E600-R603 IonicContact OE2-NH1 3.6Å; R603-V605 VanDerWaalsContact C-N 3.27Å; R603-Y606 CarbonylContact O-C 3.17Å; R603-P607 VanDerWaalsContact O-CA 3.3Å; R603-P607 WeakPolarHBondContact O-CA 3.37Å
604D70.1Confident65.9Low71 Ų7193.3 Ų93.338%0.3849%0.492SS..THydrogen-bonded Turntrans-67-29.7175.159.9-40.5000112.5R431 G434 L602R431-D604 IonicContact CZ-OD1 2.63Å; R431-D604 IonicContact CZ-OD2 2.85Å; R431-D604 IonicContact NE-OD2 3.23Å; R431-D604 IonicContact NH1-OD1 2.78Å; R431-D604 IonicContact NH2-OD1 3.23Å; R431-D604 PolarHBondContact NH2-OD1 3.18Å; R431-D604 IonicContact NH2-OD2 2.77Å; R431-D604 PolarHBondContact NH2-OD2 3.31Å; G434-D604 WeakPolarHBondContact CA-O 3.26Å; G434-D604 PolarHBondContact N-OD2 3.39Å; L602-D604 PolarHBondContact O-N 3.47Å
605V68.2Low63.1Low22 Ų2294.7 Ų94.713%0.13351%0.51CS..THydrogen-bonded Turntrans-88.5-42177.4-173.70000111E436 L602 R603 P607E436-V605 HydrophobicContact CG-CG1 3.83Å; L602-V605 PolarHBondContact O-N 2.98Å; R603-V605 VanDerWaalsContact C-N 3.27Å; V605-P607 VanDerWaalsContact C-CD 3.5Å; V605-P607 VanDerWaalsContact O-CD 3.27Å; V605-P607 WeakPolarHBondContact O-CD 3.44Å
606Y74.2Confident60.6Low64 Ų6497 Ų9725%0.25153%0.526SS..  trans-119.578.6-178.3-54-59.3000110.3E436 H586 L602 R603 S608E436-Y606 WeakPolarHBondContact OE1-CE1 3.45Å; E436-Y606 PolarHBondContact OE1-OH 2.89Å; H586-Y606 AromaticContact NE2-CE2 3.77Å; H586-Y606 AromaticContact NE2-CZ 3.74Å; H586-Y606 PolarHBondContact NE2-OH 2.93Å; L602-Y606 HydrophobicContact CB-CD2 4.02Å; L602-Y606 PolarHBondContact O-N 3.45Å; R603-Y606 CarbonylContact O-C 3.17Å; Y606-S608 PolarHBondContact O-N 2.9Å
607P59.6Low57.9Low112 Ų112100 Ų10073%0.72755%0.548SS*.  trans-65.1-22.6-176.322.8-32.2000113.6R603 V605R603-P607 VanDerWaalsContact O-CA 3.3Å; R603-P607 WeakPolarHBondContact O-CA 3.37Å; V605-P607 VanDerWaalsContact C-CD 3.5Å; V605-P607 VanDerWaalsContact O-CD 3.27Å; V605-P607 WeakPolarHBondContact O-CD 3.44Å
608S56.1Low55.5Low92 Ų92104.6 Ų104.664%0.64356%0.557SS**  trans-97.392.4179.353.80000111.4Y606 E610Y606-S608 PolarHBondContact O-N 2.9Å; S608-E610 PolarHBondContact O-N 3.21Å
609S45.5Very low53.2Low104 Ų104104 Ų10473%0.72756%0.562SS**THydrogen-bonded Turntrans-76.325.9178.882.70000115.3
610E42.4Very low51.2Low181 Ų181110.2 Ų110.285%0.84659%0.59SS**THydrogen-bonded Turntrans-102.6-9.3-178.8-86.5-169.2163.800116.2S608S608-E610 PolarHBondContact O-N 3.21Å
611T41.5Very low49.2Very low124 Ų124110.8 Ų110.876%0.76160%0.598SS**SBendtrans-153.435.8-170.25.80000118.5
612L40.2Very low47.1Very low122 Ų122117.4 Ų117.464%0.63962%0.622SS**  trans-120.367.6159-112.1103.3000111V614L612-V614 HydrophobicContact CD2-CG2 4.28Å; L612-V614 PolarHBondContact O-N 3.12Å
613R35.2Very low45.1Very low237 Ų237124.7 Ų124.789%0.89466%0.66SS**  trans-66.994.5151.2-77-175.2179.1178.90.4105.9S615R613-S615 VanDerWaalsContact C-N 3.28Å; R613-S615 PolarHBondContact O-N 3Å
614V38.2Very low43.2Very low78 Ų78125.6 Ų125.647%0.47367%0.674SS.*  trans-56.3103.1162.9177.40000105.1L612 I616L612-V614 HydrophobicContact CD2-CG2 4.28Å; L612-V614 PolarHBondContact O-N 3.12Å; V614-I616 PolarHBondContact O-N 3.25Å
615S31.2Very low41.4Very low105 Ų105128.1 Ų128.173%0.73470%0.696SS**  trans-65.797.3168-73.40000105.2R613 C617R613-S615 VanDerWaalsContact C-N 3.28Å; R613-S615 PolarHBondContact O-N 3Å; S615-C617 VanDerWaalsContact C-N 3.34Å; S615-C617 PolarHBondContact O-N 3.24Å
616I35.8Very low39.6Very low138 Ų138135.8 Ų135.871%0.70874%0.736SS**  trans-58.8108.6160.9-59173.5000103.5V614 D618V614-I616 PolarHBondContact O-N 3.25Å; I616-D618 VanDerWaalsContact C-N 3.33Å; I616-D618 PolarHBondContact O-N 3.18Å
617C30.9Very low37.9Very low110 Ų110139.4 Ų139.474%0.74376%0.76SS**  trans-59.6101.5173.5-82.60000107.5S615 S619S615-C617 VanDerWaalsContact C-N 3.34Å; S615-C617 PolarHBondContact O-N 3.24Å; C617-S619 PolarHBondContact O-N 3.25Å
618D32.6Very low36.8Very low166 Ų166140.8 Ų140.889%0.88876%0.762SS**  trans-83.528.1175.2-126.5-1000111I616I616-D618 VanDerWaalsContact C-N 3.33Å; I616-D618 PolarHBondContact O-N 3.18Å
619S34.9Very low35.7Very low68 Ų68143.5 Ų143.548%0.47677%0.768SS.*  trans-105.8120.1178.659.40000109.5C617 D621C617-S619 PolarHBondContact O-N 3.25Å; S619-D621 PolarHBondContact O-N 2.74Å
620K35Very low35.1Very low209 Ų209145.8 Ų145.891%0.90977%0.771SS**  trans-57.321.5171-81.9-178.6169.4179.70115.4E622K620-E622 VanDerWaalsContact C-N 3.32Å; K620-E622 PolarHBondContact O-N 3.07Å
621D35.5Very low34.7Very low139 Ų139143.6 Ų143.674%0.74377%0.766SS**  trans-8681.6176.1-67.1-29.5000109.2S619 L623S619-D621 PolarHBondContact O-N 2.74Å; D621-L623 PolarHBondContact O-N 3.44Å
622E33.8Very low34.2Very low179 Ų179144.9 Ų144.984%0.83677%0.766SS**THydrogen-bonded Turntrans-46.6106.1152.9-66.8178.9154.300108.4K620K620-E622 VanDerWaalsContact C-N 3.32Å; K620-E622 PolarHBondContact O-N 3.07Å
623L33.8Very low33.8Very low154 Ų154146.6 Ų146.681%0.80678%0.776SS**THydrogen-bonded Turntrans-178.6-7.7138.1-121.175.1000117.1D621D621-L623 PolarHBondContact O-N 3.44Å
624I33.2Very low33.7Very low162 Ų162139.6 Ų139.683%0.83177%0.766SS**  trans-125.266-168.5-41.4179.3000112.6
625C31.7Very low33.3Very low124 Ų124144.8 Ų144.884%0.83879%0.791SS**  trans-138.666.9154.8-82.30000107.8
626N31.5Very low33.5Very low183 Ų183148.4 Ų148.498%0.97980%0.796SS**  trans-71.40168.4-98.3-29.4000110.4R564R564-N626 VanDerWaalsContact CZ-OXT 3.28Å; R564-N626 PolarHBondContact NH1-OXT 2.79Å; R564-N626 PolarHBondContact NH2-OXT 2.87Å

Retrieved 626 of 626 residues in 230 ms (Link to these results)

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