A0A087YGJ9_POEFO Loading...

Serine/threonine-protein kinase RIO2

AlphaFold DB , UniProt , Accession A0A087YGJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1M50.5Low78.4Confident139 Ų13996.3 Ų96.369%0.68547%0.472SS*.  0132.40-121172.1-165.400107.9Y77 R129M1-Y77 HydrophobicContact CE-CD1 4.33Å; M1-Y77 HydrophobicContact CE-CD2 3.04Å; M1-Y77 HydrophobicContact CE-CE1 4.38Å; M1-Y77 HydrophobicContact CE-CE2 3.11Å; M1-Y77 HydrophobicContact CE-CG 3.66Å; M1-R129 HydrophobicContact SD-CG 4.41Å
2G58Low79.4Confident65 Ų6590.1 Ų90.167%0.6744%0.443SS*.PPolyproline II helixtrans-85.5156.2-175.600000112.7
3K71.2Confident80.3Confident171 Ų17187.5 Ų87.574%0.74344%0.439SS*.PPolyproline II helixtrans-56.1150166.9-67.1-175.1176.5-172.90110.2N5K3-N5 PolarHBondContact O-N 3.37Å; K3-N5 VanDerWaalsContact O-N 3.13Å
4L80.4Confident80.9Confident21 Ų2195.1 Ų95.111%0.1146%0.46CS..PPolyproline II helixtrans-58.6118.5172.717967.9000108.5V6 D81 L85 Y110 L124L4-V6 HydrophobicContact CD2-CG1 4.33Å; L4-V6 HydrophobicContact CG-CG1 4.4Å; L4-D81 HydrophobicContact CD1-CB 3.64Å; L4-L85 HydrophobicContact CD1-CD1 4.34Å; L4-L85 HydrophobicContact CD2-CD1 4.21Å; L4-Y110 HydrophobicContact CB-CE1 3.91Å; L4-Y110 HydrophobicContact CB-CE2 4.19Å; L4-Y110 VanDerWaalsContact CB-CZ 3.5Å; L4-Y110 WeakPolarHBondContact CB-OH 3.49Å; L4-Y110 HydrophobicContact CD2-CD1 4.35Å; L4-Y110 HydrophobicContact CD2-CD2 4.35Å; L4-Y110 HydrophobicContact CD2-CE1 4.08Å; L4-Y110 HydrophobicContact CD2-CE2 4.08Å; L4-Y110 PolarHBondContact N-OH 2.84Å; L4-L124 HydrophobicContact CD2-CD1 4.05Å
5N82.8Confident81.6Confident83 Ų8393.4 Ų93.444%0.44445%0.454SS..  trans-104.5112.1171.4-178.2-20.9000107K3 I7 Y82K3-N5 PolarHBondContact O-N 3.37Å; K3-N5 VanDerWaalsContact O-N 3.13Å; N5-I7 VanDerWaalsContact OD1-CB 3.25Å; N5-I7 WeakPolarHBondContact OD1-CB 3.18Å; N5-I7 WeakPolarHBondContact OD1-CG1 3.32Å; N5-I7 PolarHBondContact OD1-N 3.29Å; N5-Y82 WeakPolarHBondContact O-CE2 3.43Å; N5-Y82 PolarHBondContact O-OH 2.83Å
6V84.7Confident82.3Confident41 Ų4188.3 Ų88.325%0.24843%0.429CS..  trans-92.6-4.3-178.7-105.60000113.4L4 M8 L9 L85 V97L4-V6 HydrophobicContact CD2-CG1 4.33Å; L4-V6 HydrophobicContact CG-CG1 4.4Å; V6-M8 VanDerWaalsContact C-N 3.28Å; V6-M8 PolarHBondContact O-N 2.74Å; V6-L9 VanDerWaalsContact O-CB 3.23Å; V6-L9 WeakPolarHBondContact O-CB 3.44Å; V6-L9 PolarHBondContact O-N 2.87Å; V6-L9 VanDerWaalsContact O-N 3.11Å; V6-L85 HydrophobicContact CG1-CD1 3.6Å; V6-V97 HydrophobicContact CG1-CB 4.33Å; V6-V97 HydrophobicContact CG1-CG2 4.11Å; V6-V97 HydrophobicContact CG2-CB 4.18Å; V6-V97 HydrophobicContact CG2-CG1 4.19Å
7I86.4Confident82.9Confident86 Ų8683.6 Ų83.644%0.44141%0.406SS..G310 helixtrans-60.5-40.6-174.1-62.6170.8000111.1N5 L9 Y11N5-I7 VanDerWaalsContact OD1-CB 3.25Å; N5-I7 WeakPolarHBondContact OD1-CB 3.18Å; N5-I7 WeakPolarHBondContact OD1-CG1 3.32Å; N5-I7 PolarHBondContact OD1-N 3.29Å; I7-L9 VanDerWaalsContact C-N 3.25Å; I7-L9 PolarHBondContact O-N 3.04Å; I7-Y11 HydrophobicContact CG2-CE2 4.04Å; I7-Y11 WeakPolarHBondContact O-CD2 3.27Å
8M85.8Confident83.3Confident59 Ų5982.8 Ų82.829%0.29140%0.398SS..G310 helixtrans-71.7-19.6-177.2-60.4-63.9169.700112.9V6 R10 Y11 L12 H59 Y82V6-M8 VanDerWaalsContact C-N 3.28Å; V6-M8 PolarHBondContact O-N 2.74Å; M8-R10 PolarHBondContact O-N 3.16Å; M8-R10 VanDerWaalsContact O-N 3.1Å; M8-Y11 PolarHBondContact O-N 2.96Å; M8-Y11 HydrophobicContact SD-CD2 4.39Å; M8-L12 WeakPolarHBondContact O-CG 3.5Å; M8-L12 PolarHBondContact O-N 3.33Å; M8-H59 PolarHBondContact SD-CE1 3.15Å; M8-Y82 HydrophobicContact CB-CE1 4.04Å; M8-Y82 WeakPolarHBondContact CB-OH 3.21Å; M8-Y82 PolarHBondContact N-OH 3.07Å
9L87.1Confident83.8Confident35 Ų3578.4 Ų78.418%0.18338%0.377CS..G310 helixtrans-57-31.3180-164.575.1000112V6 I7 F17 Y82 L85V6-L9 VanDerWaalsContact O-CB 3.23Å; V6-L9 WeakPolarHBondContact O-CB 3.44Å; V6-L9 PolarHBondContact O-N 2.87Å; V6-L9 VanDerWaalsContact O-N 3.11Å; I7-L9 VanDerWaalsContact C-N 3.25Å; I7-L9 PolarHBondContact O-N 3.04Å; L9-F17 HydrophobicContact CD1-CE1 4.17Å; L9-F17 HydrophobicContact CD1-CZ 3.77Å; L9-Y82 HydrophobicContact CB-CD1 4.39Å; L9-Y82 HydrophobicContact CB-CE1 3.95Å; L9-Y82 HydrophobicContact CD1-CD1 3.49Å; L9-Y82 VanDerWaalsContact CD1-CD1 3.49Å; L9-Y82 HydrophobicContact CD1-CE1 3.95Å; L9-Y82 HydrophobicContact CD1-CG 3.83Å; L9-Y82 PolarHBondContact N-OH 3.09Å; L9-L85 HydrophobicContact CD2-CB 4.1Å
10R86.7Confident84.3Confident189 Ų18974.5 Ų74.571%0.71336%0.358SS*.G310 helixtrans-74.2-23.7178-67.2-178.1-75.3-172.4-6.5114.3M8M8-R10 PolarHBondContact O-N 3.16Å; M8-R10 VanDerWaalsContact O-N 3.1Å
11Y89.3Confident84.7Confident170 Ų17071 Ų7167%0.66734%0.341SS*.THydrogen-bonded Turntrans-101.5-11.4-174.2-60.5-76.8000112.9I7 M8I7-Y11 HydrophobicContact CG2-CE2 4.04Å; I7-Y11 WeakPolarHBondContact O-CD2 3.27Å; M8-Y11 PolarHBondContact O-N 2.96Å; M8-Y11 HydrophobicContact SD-CD2 4.39Å
12L90.5Very high86.7Confident22 Ų2264.3 Ų64.312%0.11531%0.309CS..  trans-75.2131.3176.5-67.3177.2000111M8 D16 F17 L56 L61 Y82M8-L12 WeakPolarHBondContact O-CG 3.5Å; M8-L12 PolarHBondContact O-N 3.33Å; L12-D16 HydrophobicContact CB-CB 4.19Å; L12-D16 HydrophobicContact CD2-CB 3.97Å; L12-F17 HydrophobicContact CB-CD2 4.33Å; L12-F17 HydrophobicContact CB-CE2 3.65Å; L12-F17 HydrophobicContact CB-CZ 4.05Å; L12-F17 HydrophobicContact CD1-CE1 4.42Å; L12-F17 HydrophobicContact CD1-CE2 4.39Å; L12-F17 HydrophobicContact CD1-CZ 4Å; L12-L56 HydrophobicContact CD2-CD2 4.16Å; L12-L61 HydrophobicContact CD1-CD1 3.82Å; L12-L61 HydrophobicContact CD2-CD1 4.41Å; L12-Y82 HydrophobicContact CD1-CD1 3.44Å; L12-Y82 VanDerWaalsContact CD1-CD1 3.44Å; L12-Y82 HydrophobicContact CD1-CE1 3.7Å
13S90.8Very high88.3Confident56 Ų5661.2 Ų61.239%0.39228%0.277SS..  trans-80.4169.1176.672.20000112D15 D16 F17S13-D15 PolarHBondContact O-N 3.14Å; S13-D15 PolarHBondContact OG-N 3.04Å; S13-D16 WeakPolarHBondContact CA-OD2 3.13Å; S13-D16 WeakPolarHBondContact CB-OD2 3.36Å; S13-D16 PolarHBondContact N-OD2 2.63Å; S13-D16 WeakPolarHBondContact O-CB 3.33Å; S13-D16 PolarHBondContact O-N 2.89Å; S13-D16 VanDerWaalsContact O-N 3.17Å; S13-D16 VanDerWaalsContact OG-CG 3.22Å; S13-D16 PolarHBondContact OG-N 3.26Å; S13-D16 PolarHBondContact OG-OD2 3.5Å; S13-F17 VanDerWaalsContact O-CD2 3.31Å; S13-F17 WeakPolarHBondContact O-CD2 3.36Å; S13-F17 PolarHBondContact O-N 3.25Å
14R88.8Confident89.2Confident195 Ų19554.8 Ų54.874%0.73625%0.249SC*.Hα-helixtrans-57.8-39.7173.6-66.9-173.2-179.4-165.50.3111.8D16 F17 R18R14-D16 VanDerWaalsContact C-N 3.28Å; R14-D16 PolarHBondContact O-N 3.19Å; R14-F17 PolarHBondContact O-N 2.91Å; R14-R18 WeakPolarHBondContact O-CG 3.46Å; R14-R18 PolarHBondContact O-N 3.11Å
15D90.8Very high89.5Confident69 Ų6954.4 Ų54.437%0.36925%0.247SC..Hα-helixtrans-66.7-30.7179.9-75.2-14.5000112.4S13 R18 V19 L44 I52S13-D15 PolarHBondContact O-N 3.14Å; S13-D15 PolarHBondContact OG-N 3.04Å; D15-R18 PolarHBondContact O-N 3.16Å; D15-R18 IonicContact OD1-NH1 2.91Å; D15-V19 WeakPolarHBondContact O-CG2 3.41Å; D15-V19 PolarHBondContact O-N 2.78Å; D15-L44 HydrophobicContact CB-CD2 4.21Å; D15-I52 HydrophobicContact CB-CD1 3.84Å
16D92.5Very high89.7Confident11 Ų1150.6 Ų50.66%0.05923%0.227CC..Hα-helixtrans-64.9-44.7174.8-60-49.7000111.4L12 S13 R14 V19 L20 I52 L56L12-D16 HydrophobicContact CB-CB 4.19Å; L12-D16 HydrophobicContact CD2-CB 3.97Å; S13-D16 WeakPolarHBondContact CA-OD2 3.13Å; S13-D16 WeakPolarHBondContact CB-OD2 3.36Å; S13-D16 PolarHBondContact N-OD2 2.63Å; S13-D16 WeakPolarHBondContact O-CB 3.33Å; S13-D16 PolarHBondContact O-N 2.89Å; S13-D16 VanDerWaalsContact O-N 3.17Å; S13-D16 VanDerWaalsContact OG-CG 3.22Å; S13-D16 PolarHBondContact OG-N 3.26Å; S13-D16 PolarHBondContact OG-OD2 3.5Å; R14-D16 VanDerWaalsContact C-N 3.28Å; R14-D16 PolarHBondContact O-N 3.19Å; D16-V19 PolarHBondContact O-N 3.46Å; D16-L20 WeakPolarHBondContact O-CG 3.25Å; D16-L20 PolarHBondContact O-N 3.3Å; D16-I52 HydrophobicContact CB-CG2 4.45Å; D16-I52 WeakPolarHBondContact OD1-CG2 3.35Å; D16-L56 HydrophobicContact CB-CD2 4.38Å
17F92.7Very high89.8Confident9 Ų950.8 Ų50.84%0.03923%0.226CC..Hα-helixtrans-66-38.7175-72.7-74.3000112L9 L12 S13 R14 V19 L20 T21 L83 K86L9-F17 HydrophobicContact CD1-CE1 4.17Å; L9-F17 HydrophobicContact CD1-CZ 3.77Å; L12-F17 HydrophobicContact CB-CD2 4.33Å; L12-F17 HydrophobicContact CB-CE2 3.65Å; L12-F17 HydrophobicContact CB-CZ 4.05Å; L12-F17 HydrophobicContact CD1-CE1 4.42Å; L12-F17 HydrophobicContact CD1-CE2 4.39Å; L12-F17 HydrophobicContact CD1-CZ 4Å; S13-F17 VanDerWaalsContact O-CD2 3.31Å; S13-F17 WeakPolarHBondContact O-CD2 3.36Å; S13-F17 PolarHBondContact O-N 3.25Å; R14-F17 PolarHBondContact O-N 2.91Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.47Å; F17-L20 HydrophobicContact CD1-CD1 4.35Å; F17-L20 PolarHBondContact O-N 3.35Å; F17-T21 PolarHBondContact O-N 3.43Å; F17-T21 PolarHBondContact O-OG1 3.27Å; F17-L83 HydrophobicContact CD1-CD2 4.42Å; F17-K86 HydrophobicContact CD1-CB 3.89Å; F17-K86 HydrophobicContact CD1-CD 4.47Å; F17-K86 HydrophobicContact CD1-CG 3.74Å; F17-K86 HydrophobicContact CD2-CD 4.25Å; F17-K86 HydrophobicContact CD2-CG 4.28Å; F17-K86 HydrophobicContact CE1-CB 3.47Å; F17-K86 VanDerWaalsContact CE1-CB 3.47Å; F17-K86 HydrophobicContact CE1-CD 4.15Å; F17-K86 HydrophobicContact CE1-CG 3.66Å; F17-K86 HydrophobicContact CE2-CD 3.91Å; F17-K86 HydrophobicContact CE2-CG 4.21Å; F17-K86 HydrophobicContact CG-CG 4.06Å; F17-K86 HydrophobicContact CZ-CB 3.95Å; F17-K86 HydrophobicContact CZ-CD 3.84Å; F17-K86 HydrophobicContact CZ-CG 3.9Å
18R91.1Very high89.5Confident69 Ų6951.5 Ų51.526%0.2623%0.226SC..Hα-helixtrans-58-40.7173.9-69.717865.1-177.32.5112.3R14 D15 A22 A42 Y348 M352R14-R18 WeakPolarHBondContact O-CG 3.46Å; R14-R18 PolarHBondContact O-N 3.11Å; D15-R18 PolarHBondContact O-N 3.16Å; D15-R18 IonicContact OD1-NH1 2.91Å; R18-A22 WeakPolarHBondContact O-CB 3.1Å; R18-A22 PolarHBondContact O-N 2.98Å; R18-A42 PolarHBondContact NH2-O 3.43Å; R18-Y348 PolarHBondContact O-OH 2.9Å; R18-M352 HydrophobicContact CB-SD 4.1Å; R18-M352 HydrophobicContact CG-CE 4.35Å; R18-M352 HydrophobicContact CG-SD 3.6Å
19V92.8Very high89.2Confident0 Ų053.3 Ų53.30%024%0.237CC..Hα-helixtrans-70.7-41.9176.3173.50000111.1D15 D16 F17 T21 A22 V23 A42 L44 I52 L53 L56D15-V19 WeakPolarHBondContact O-CG2 3.41Å; D15-V19 PolarHBondContact O-N 2.78Å; D16-V19 PolarHBondContact O-N 3.46Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.47Å; V19-T21 PolarHBondContact O-N 3.03Å; V19-A22 WeakPolarHBondContact O-CB 3.41Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-V23 WeakPolarHBondContact O-CG2 3.18Å; V19-V23 PolarHBondContact O-N 2.85Å; V19-A42 HydrophobicContact CG2-CB 4.33Å; V19-L44 HydrophobicContact CG2-CD1 3.75Å; V19-I52 HydrophobicContact CB-CG2 3.85Å; V19-I52 HydrophobicContact CG1-CG2 4.02Å; V19-I52 HydrophobicContact CG2-CB 4.35Å; V19-I52 HydrophobicContact CG2-CD1 4.13Å; V19-I52 HydrophobicContact CG2-CG2 3.83Å; V19-L53 HydrophobicContact CG1-CD2 3.58Å; V19-L53 HydrophobicContact CG1-CG 3.89Å; V19-L56 HydrophobicContact CB-CD1 4.39Å; V19-L56 HydrophobicContact CG1-CD1 3.96Å
20L93.6Very high88.9Confident0 Ų055.9 Ų55.90%025%0.248CC..Hα-helixtrans-60.4-44.7175.9-75.3171.1000112D16 F17 A22 V23 E24 L56 L61 V62 L75 L83D16-L20 WeakPolarHBondContact O-CG 3.25Å; D16-L20 PolarHBondContact O-N 3.3Å; F17-L20 HydrophobicContact CD1-CD1 4.35Å; F17-L20 PolarHBondContact O-N 3.35Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.96Å; L20-V23 WeakPolarHBondContact O-CB 3.45Å; L20-V23 PolarHBondContact O-N 2.89Å; L20-V23 VanDerWaalsContact O-N 3.15Å; L20-E24 PolarHBondContact O-N 3.18Å; L20-L56 HydrophobicContact CD1-CD2 4.13Å; L20-L56 HydrophobicContact CD2-CD1 3.88Å; L20-L56 HydrophobicContact CD2-CD2 4.22Å; L20-L56 HydrophobicContact CG-CD1 3.9Å; L20-L56 HydrophobicContact CG-CD2 4.12Å; L20-L61 HydrophobicContact CD1-CD1 4.5Å; L20-L61 HydrophobicContact CD2-CB 4.26Å; L20-V62 HydrophobicContact CD2-CG1 3.63Å; L20-L75 HydrophobicContact CD2-CD1 3.83Å; L20-L83 HydrophobicContact CB-CD1 4.23Å; L20-L83 HydrophobicContact CB-CD2 3.81Å; L20-L83 HydrophobicContact CB-CG 4.11Å
21T92.6Very high88.6Confident0 Ų053.5 Ų53.50%025%0.245CC..Hα-helixtrans-63.9-37.3174.8-52.10000111.5F17 V19 V23 E24 M25 Y348 A351 M352 L355F17-T21 PolarHBondContact O-N 3.43Å; F17-T21 PolarHBondContact O-OG1 3.27Å; V19-T21 PolarHBondContact O-N 3.03Å; T21-V23 VanDerWaalsContact C-N 3.29Å; T21-V23 PolarHBondContact O-N 2.88Å; T21-E24 PolarHBondContact O-N 3.22Å; T21-M25 WeakPolarHBondContact O-CG 3.44Å; T21-M25 PolarHBondContact O-N 3.02Å; T21-Y348 HydrophobicContact CG2-CD2 4.14Å; T21-Y348 HydrophobicContact CG2-CE2 4.01Å; T21-A351 HydrophobicContact CG2-CB 3.99Å; T21-M352 HydrophobicContact CG2-CE 3.94Å; T21-M352 WeakPolarHBondContact OG1-CE 3.37Å; T21-L355 HydrophobicContact CG2-CD1 4.48Å; T21-L355 WeakPolarHBondContact OG1-CD1 3.47Å
22A91.9Very high88.5Confident0 Ų046.4 Ų46.40%022%0.218CC..Hα-helixtrans-62.8-36.1174.100000112.5R18 V19 L20 G26 L38 I41 A42R18-A22 WeakPolarHBondContact O-CB 3.1Å; R18-A22 PolarHBondContact O-N 2.98Å; V19-A22 WeakPolarHBondContact O-CB 3.41Å; V19-A22 PolarHBondContact O-N 3.48Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 2.96Å; A22-G26 PolarHBondContact O-N 2.96Å; A22-L38 HydrophobicContact CB-CD2 4.43Å; A22-I41 HydrophobicContact CB-CB 3.95Å; A22-I41 HydrophobicContact CB-CG2 3.59Å; A22-A42 HydrophobicContact CB-CB 3.97Å
23V92.2Very high88.3Confident0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-66.4-47.7172.9178.20000110.6V19 L20 T21 M25 G26 M27 L38 L53 V62 L75V19-V23 WeakPolarHBondContact O-CG2 3.18Å; V19-V23 PolarHBondContact O-N 2.85Å; L20-V23 WeakPolarHBondContact O-CB 3.45Å; L20-V23 PolarHBondContact O-N 2.89Å; L20-V23 VanDerWaalsContact O-N 3.15Å; T21-V23 VanDerWaalsContact C-N 3.29Å; T21-V23 PolarHBondContact O-N 2.88Å; V23-M25 PolarHBondContact O-N 3.18Å; V23-G26 PolarHBondContact O-N 3.26Å; V23-M27 HydrophobicContact CG1-CG 4.4Å; V23-M27 HydrophobicContact CG1-SD 4.09Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.07Å; V23-M27 PolarHBondContact O-N 3.19Å; V23-L38 HydrophobicContact CB-CD2 4.06Å; V23-L38 HydrophobicContact CG2-CD1 3.94Å; V23-L38 HydrophobicContact CG2-CD2 3.52Å; V23-L38 HydrophobicContact CG2-CG 4.38Å; V23-L53 HydrophobicContact CG2-CD2 4.26Å; V23-V62 HydrophobicContact CG2-CG1 4.47Å; V23-L75 HydrophobicContact CG1-CB 4.13Å; V23-L75 HydrophobicContact CG1-CD1 4.48Å
24E90.6Very high88.2Confident35 Ų3543.8 Ų43.816%0.16420%0.201CC..Hα-helixtrans-55.8-48.4177177.7-177.8-152.300112.1L20 T21 G26 M27 L75 Y80 L83 R183L20-E24 PolarHBondContact O-N 3.18Å; T21-E24 PolarHBondContact O-N 3.22Å; E24-G26 PolarHBondContact O-N 3.33Å; E24-M27 WeakPolarHBondContact O-CB 3.29Å; E24-M27 PolarHBondContact O-N 2.9Å; E24-M27 VanDerWaalsContact O-N 3.13Å; E24-L75 HydrophobicContact CB-CD2 4.46Å; E24-Y80 WeakPolarHBondContact OE1-CE2 3.25Å; E24-L83 HydrophobicContact CB-CD1 4.15Å; E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 2.7Å; E24-R183 IonicContact OE1-NE 3.35Å; E24-R183 PolarHBondContact OE1-NE 3.3Å; E24-R183 IonicContact OE1-NH2 2.97Å; E24-R183 IonicContact OE2-CZ 2.69Å; E24-R183 IonicContact OE2-NE 3.56Å; E24-R183 PolarHBondContact OE2-NE 2.88Å; E24-R183 VanDerWaalsContact OE2-NE 3.16Å; E24-R183 IonicContact OE2-NH2 3.91Å; E24-R183 PolarHBondContact OE2-NH2 2.9Å
25M87.1Confident88.1Confident14 Ų1436 Ų367%0.06918%0.175CC..Hα-helixtrans-65.2-39.7178.1-70.6-169.582.200112.8T21 V23 M27 K28 I41 F343 E347 Y348T21-M25 WeakPolarHBondContact O-CG 3.44Å; T21-M25 PolarHBondContact O-N 3.02Å; V23-M25 PolarHBondContact O-N 3.18Å; M25-M27 PolarHBondContact O-N 3.34Å; M25-K28 WeakPolarHBondContact O-CB 3.49Å; M25-K28 PolarHBondContact O-N 2.84Å; M25-I41 HydrophobicContact SD-CG2 4.49Å; M25-F343 HydrophobicContact CB-CE2 3.96Å; M25-F343 HydrophobicContact CE-CD2 4.37Å; M25-F343 HydrophobicContact CE-CE1 4.31Å; M25-F343 HydrophobicContact CE-CE2 3.55Å; M25-F343 HydrophobicContact CE-CZ 3.48Å; M25-F343 VanDerWaalsContact CE-CZ 3.48Å; M25-F343 HydrophobicContact SD-CE2 3.94Å; M25-F343 HydrophobicContact SD-CZ 3.71Å; M25-E347 HydrophobicContact CE-CB 4.32Å; M25-Y348 HydrophobicContact CG-CD2 4.46Å; M25-Y348 VanDerWaalsContact SD-CA 3.51Å; M25-Y348 WeakPolarHBondContact SD-CB 3.3Å; M25-Y348 HydrophobicContact SD-CD2 3.2Å; M25-Y348 WeakPolarHBondContact SD-CD2 3.38Å; M25-Y348 HydrophobicContact SD-CE2 4.27Å; M25-Y348 HydrophobicContact SD-CG 3.63Å
26G86.3Confident87.8Confident3 Ų333.3 Ų33.33%0.03116%0.162CC..Hα-helixtrans-61.2-31.4174.500000112.3A22 V23 E24 K28 N29 H30 V33A22-G26 PolarHBondContact O-N 2.96Å; V23-G26 PolarHBondContact O-N 3.26Å; E24-G26 PolarHBondContact O-N 3.33Å; G26-K28 VanDerWaalsContact C-N 3.27Å; G26-K28 PolarHBondContact O-N 3.49Å; G26-N29 PolarHBondContact O-N 2.76Å; G26-H30 WeakPolarHBondContact O-CB 3.48Å; G26-H30 PolarHBondContact O-N 3.26Å; G26-H30 VanDerWaalsContact O-N 3.08Å; G26-V33 VanDerWaalsContact C-CG2 3.41Å
27M85.7Confident87.5Confident44 Ų4434 Ų3422%0.21717%0.165CC..Hα-helixtrans-73.1-12.7-179.6-76.8-179.270.100115V23 E24 M25 N29 H30 V33 R74 L75 L151V23-M27 HydrophobicContact CG1-CG 4.4Å; V23-M27 HydrophobicContact CG1-SD 4.09Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.07Å; V23-M27 PolarHBondContact O-N 3.19Å; E24-M27 WeakPolarHBondContact O-CB 3.29Å; E24-M27 PolarHBondContact O-N 2.9Å; E24-M27 VanDerWaalsContact O-N 3.13Å; M25-M27 PolarHBondContact O-N 3.34Å; M27-N29 VanDerWaalsContact C-N 3.3Å; M27-H30 VanDerWaalsContact CA-O 3.3Å; M27-H30 WeakPolarHBondContact CA-O 3.41Å; M27-V33 HydrophobicContact CB-CG2 4.48Å; M27-V33 HydrophobicContact CG-CG2 3.68Å; M27-R74 HydrophobicContact CE-CB 4.47Å; M27-R74 HydrophobicContact SD-CB 4.41Å; M27-L75 HydrophobicContact CE-CB 4.18Å; M27-L75 HydrophobicContact SD-CB 3.28Å; M27-L75 WeakPolarHBondContact SD-CB 3.35Å; M27-L75 PolarHBondContact SD-N 3.36Å; M27-L151 HydrophobicContact CE-CD1 4.04Å
28K81.4Confident87.2Confident102 Ų10233.5 Ų33.544%0.44316%0.163SC..Hα-helixtrans-63.7-39.1172.8-66.1-173172.8-162.80112M25 G26 E347M25-K28 WeakPolarHBondContact O-CB 3.49Å; M25-K28 PolarHBondContact O-N 2.84Å; G26-K28 VanDerWaalsContact C-N 3.27Å; G26-K28 PolarHBondContact O-N 3.49Å; K28-E347 IonicContact NZ-OE1 2.78Å; K28-E347 PolarHBondContact NZ-OE1 3.08Å; K28-E347 IonicContact NZ-OE2 3.98Å; K28-E347 PolarHBondContact NZ-OE2 3.21Å
29N79.8Confident87Confident97 Ų9730.8 Ų30.852%0.51916%0.155SC..Hα-helixtrans-110.8-13.9-172.9-60-4.4000112.7G26 M27G26-N29 PolarHBondContact O-N 2.76Å; M27-N29 VanDerWaalsContact C-N 3.3Å
30H80.7Confident86.6Confident88 Ų8830.9 Ų30.941%0.40716%0.156SC..  trans-136.3128.6-176.3-58.3-77.7000112.2G26 M27 I32G26-H30 WeakPolarHBondContact O-CB 3.48Å; G26-H30 PolarHBondContact O-N 3.26Å; G26-H30 VanDerWaalsContact O-N 3.08Å; M27-H30 VanDerWaalsContact CA-O 3.3Å; M27-H30 WeakPolarHBondContact CA-O 3.41Å; H30-I32 VanDerWaalsContact C-N 3.31Å; H30-I32 PolarHBondContact O-N 3.26Å
31E80Confident86.2Confident140 Ų14031 Ų3165%0.65416%0.156SC*.SBendtrans-61.5-39.7173.4-174.9177.7-17700112.3
32I86.3Confident85.8Confident20 Ų2031 Ų3110%0.10316%0.156CC..SBendtrans-123121.3175.3-59.2171.7000108H30 E65 V70H30-I32 VanDerWaalsContact C-N 3.31Å; H30-I32 PolarHBondContact O-N 3.26Å; I32-E65 HydrophobicContact CD1-CB 4.15Å; I32-E65 HydrophobicContact CD1-CG 3.92Å; I32-V70 HydrophobicContact CB-CG1 4.1Å; I32-V70 HydrophobicContact CG2-CG1 4.11Å
33V87.8Confident85.3Confident0 Ų033 Ų330%017%0.17CC..BIsolated β-bridgetrans-93.2119.1-174.1-165.60000110.6G26 M27 L37 L38 G72 Y73G26-V33 VanDerWaalsContact C-CG2 3.41Å; M27-V33 HydrophobicContact CB-CG2 4.48Å; M27-V33 HydrophobicContact CG-CG2 3.68Å; V33-L37 HydrophobicContact CG1-CB 4.44Å; V33-L37 HydrophobicContact CG1-CD2 3.97Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; V33-L38 HydrophobicContact CB-CD2 4.04Å; V33-L38 HydrophobicContact CB-CG 4.29Å; V33-L38 HydrophobicContact CG1-CD2 3.48Å; V33-L38 VanDerWaalsContact CG1-CD2 3.48Å; V33-L38 HydrophobicContact CG1-CG 3.76Å; V33-G72 CarbonylContact O-C 3.56Å; V33-G72 WeakPolarHBondContact O-CA 3.45Å; V33-Y73 WeakPolarHBondContact CB-O 3.16Å; V33-Y73 PolarHBondContact N-O 3.25Å; V33-Y73 PolarHBondContact O-N 3.16Å
34P87.9Confident84.8Confident24 Ų2434 Ų3416%0.15618%0.175CC..  trans-70.6148.4-179.427.2-32.3000111.9S36 L37 L38P34-S36 PolarHBondContact O-N 3.3Å; P34-L37 HydrophobicContact CG-CB 3.84Å; P34-L37 WeakPolarHBondContact O-CB 3.4Å; P34-L37 PolarHBondContact O-N 3.18Å; P34-L38 PolarHBondContact O-N 2.9Å
35V86.8Confident83.8Confident30 Ų3041.8 Ų41.818%0.18221%0.209CC..Hα-helixtrans-60.4-34.7-177.1-1740000112.7L37 L38 S39 N50 L53 Y73V35-L37 VanDerWaalsContact C-N 3.31Å; V35-L37 PolarHBondContact O-N 2.96Å; V35-L38 PolarHBondContact O-N 3.17Å; V35-S39 WeakPolarHBondContact O-CB 3.22Å; V35-S39 PolarHBondContact O-N 3.09Å; V35-S39 PolarHBondContact O-OG 3.4Å; V35-N50 WeakPolarHBondContact CG1-OD1 3.42Å; V35-L53 HydrophobicContact CG1-CD1 4.32Å; V35-Y73 HydrophobicContact CG2-CD2 3.92Å; V35-Y73 HydrophobicContact CG2-CE2 3.54Å
36S84.4Confident82.6Confident14 Ų1449.4 Ų49.410%0.09824%0.244CC..Hα-helixtrans-60.6-42.1176.855.10000111.4P34 S40 E486P34-S36 PolarHBondContact O-N 3.3Å; S36-S40 PolarHBondContact O-N 3.44Å; S36-E486 WeakPolarHBondContact CB-OE1 3.21Å; S36-E486 PolarHBondContact OG-OE1 3.41Å
37L85.2Confident81.7Confident24 Ų2451.8 Ų51.813%0.12627%0.268CS..Hα-helixtrans-69.7-47.5175.4-178.358.5000111.3V33 P34 V35 S39 S40 I41V33-L37 HydrophobicContact CG1-CB 4.44Å; V33-L37 HydrophobicContact CG1-CD2 3.97Å; V33-L37 HydrophobicContact CG1-CG 4.31Å; P34-L37 HydrophobicContact CG-CB 3.84Å; P34-L37 WeakPolarHBondContact O-CB 3.4Å; P34-L37 PolarHBondContact O-N 3.18Å; V35-L37 VanDerWaalsContact C-N 3.31Å; V35-L37 PolarHBondContact O-N 2.96Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 2.94Å; L37-S40 WeakPolarHBondContact O-CA 3.45Å; L37-S40 WeakPolarHBondContact O-CB 3.48Å; L37-S40 PolarHBondContact O-N 3.26Å; L37-I41 HydrophobicContact CD1-CD1 3.88Å; L37-I41 HydrophobicContact CD1-CG1 4.1Å; L37-I41 HydrophobicContact CD2-CD1 4.42Å; L37-I41 HydrophobicContact CG-CD1 3.72Å; L37-I41 HydrophobicContact CG-CG1 4.36Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 3.32Å
38L88.1Confident81.5Confident0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-56-44.8178.5-67.1175.6000112.4A22 V23 V33 P34 V35 S40 I41 A42 L53 Y73A22-L38 HydrophobicContact CB-CD2 4.43Å; V23-L38 HydrophobicContact CB-CD2 4.06Å; V23-L38 HydrophobicContact CG2-CD1 3.94Å; V23-L38 HydrophobicContact CG2-CD2 3.52Å; V23-L38 HydrophobicContact CG2-CG 4.38Å; V33-L38 HydrophobicContact CB-CD2 4.04Å; V33-L38 HydrophobicContact CB-CG 4.29Å; V33-L38 HydrophobicContact CG1-CD2 3.48Å; V33-L38 VanDerWaalsContact CG1-CD2 3.48Å; V33-L38 HydrophobicContact CG1-CG 3.76Å; P34-L38 PolarHBondContact O-N 2.9Å; V35-L38 PolarHBondContact O-N 3.17Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.89Å; L38-I41 PolarHBondContact O-N 3.36Å; L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.24Å; L38-A42 PolarHBondContact O-N 2.86Å; L38-L53 HydrophobicContact CD1-CD1 3.92Å; L38-L53 HydrophobicContact CD1-CD2 4.04Å; L38-Y73 HydrophobicContact CD1-CD2 3.96Å; L38-Y73 HydrophobicContact CD1-CG 4.41Å
39S86.4Confident81.8Confident12 Ų1246.4 Ų46.48%0.08425%0.253CS..Hα-helixtrans-65.2-34.9178.4-58.50000112V35 L37 S43V35-S39 WeakPolarHBondContact O-CB 3.22Å; V35-S39 PolarHBondContact O-N 3.09Å; V35-S39 PolarHBondContact O-OG 3.4Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 2.94Å; S39-S43 PolarHBondContact O-N 3.26Å
40S83.4Confident82.1Confident2 Ų244.8 Ų44.81%0.01424%0.244CC..Hα-helixtrans-72.3-34175.7177.70000113S36 L37 L38 S43 R479S36-S40 PolarHBondContact O-N 3.44Å; L37-S40 WeakPolarHBondContact O-CA 3.45Å; L37-S40 WeakPolarHBondContact O-CB 3.48Å; L37-S40 PolarHBondContact O-N 3.26Å; L38-S40 VanDerWaalsContact C-N 3.29Å; L38-S40 PolarHBondContact O-N 2.89Å; S40-S43 PolarHBondContact O-OG 2.84Å; S40-S43 VanDerWaalsContact O-OG 3.08Å; S40-R479 WeakPolarHBondContact OG-CG 3.49Å; S40-R479 PolarHBondContact OG-NE 3.4Å
41I84.6Confident82.5Confident3 Ų347.4 Ų47.42%0.01525%0.254CS..Hα-helixtrans-74.2-56.1178.8-65.8167.4000108.9A22 M25 L37 L38 S43 F343 Y348A22-I41 HydrophobicContact CB-CB 3.95Å; A22-I41 HydrophobicContact CB-CG2 3.59Å; M25-I41 HydrophobicContact SD-CG2 4.49Å; L37-I41 HydrophobicContact CD1-CD1 3.88Å; L37-I41 HydrophobicContact CD1-CG1 4.1Å; L37-I41 HydrophobicContact CD2-CD1 4.42Å; L37-I41 HydrophobicContact CG-CD1 3.72Å; L37-I41 HydrophobicContact CG-CG1 4.36Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 3.32Å; L38-I41 PolarHBondContact O-N 3.36Å; I41-S43 PolarHBondContact O-N 3.3Å; I41-S43 VanDerWaalsContact O-N 3.09Å; I41-S43 PolarHBondContact O-OG 3.32Å; I41-F343 HydrophobicContact CB-CE2 4.47Å; I41-F343 HydrophobicContact CB-CZ 4.16Å; I41-F343 HydrophobicContact CD1-CD2 4.21Å; I41-F343 HydrophobicContact CD1-CE2 3.6Å; I41-F343 HydrophobicContact CD1-CZ 4.15Å; I41-F343 HydrophobicContact CG1-CD2 4.34Å; I41-F343 HydrophobicContact CG1-CE1 4.38Å; I41-F343 HydrophobicContact CG1-CE2 3.66Å; I41-F343 HydrophobicContact CG1-CZ 3.72Å; I41-F343 HydrophobicContact CG2-CE1 4.44Å; I41-F343 HydrophobicContact CG2-CE2 4Å; I41-F343 HydrophobicContact CG2-CZ 3.5Å; I41-Y348 HydrophobicContact CG2-CD2 4.2Å; I41-Y348 HydrophobicContact CG2-CE2 4.1Å; I41-Y348 HydrophobicContact CG2-CG 4.47Å
42A85.4Confident83.1Confident0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-59.8-27.2-177.200000113.2R18 V19 A22 L38 L44R18-A42 PolarHBondContact NH2-O 3.43Å; V19-A42 HydrophobicContact CG2-CB 4.33Å; A22-A42 HydrophobicContact CB-CB 3.97Å; L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.24Å; L38-A42 PolarHBondContact O-N 2.86Å; A42-L44 VanDerWaalsContact C-N 3.26Å; A42-L44 HydrophobicContact CB-CG 4.11Å; A42-L44 PolarHBondContact O-N 3.09Å
43S81.9Confident83.3Confident42 Ų4240.7 Ų40.729%0.29422%0.223SC..THydrogen-bonded Turntrans49.345.5175.9-56.70000112.5S39 S40 I41S39-S43 PolarHBondContact O-N 3.26Å; S40-S43 PolarHBondContact O-OG 2.84Å; S40-S43 VanDerWaalsContact O-OG 3.08Å; I41-S43 PolarHBondContact O-N 3.3Å; I41-S43 VanDerWaalsContact O-N 3.09Å; I41-S43 PolarHBondContact O-OG 3.32Å
44L80.9Confident83.5Confident21 Ų2147.6 Ų47.611%0.1125%0.249CC..  trans-76.8139.6179.4-65177000111D15 V19 A42 H46 C49 I52D15-L44 HydrophobicContact CB-CD2 4.21Å; V19-L44 HydrophobicContact CG2-CD1 3.75Å; A42-L44 VanDerWaalsContact C-N 3.26Å; A42-L44 HydrophobicContact CB-CG 4.11Å; A42-L44 PolarHBondContact O-N 3.09Å; L44-H46 VanDerWaalsContact C-N 3.25Å; L44-H46 PolarHBondContact O-N 2.91Å; L44-H46 VanDerWaalsContact O-N 3.11Å; L44-C49 HydrophobicContact CD1-CB 4.2Å; L44-I52 HydrophobicContact CD1-CD1 3.93Å
45K69.1Low83.6Confident198 Ų19850.4 Ų50.486%0.86126%0.26SS*.THydrogen-bonded Turntrans-61.7-21.1-171-67.1-174.6176.6-173.90115.1
46H61.6Low83.9Confident174 Ų17449 Ų4981%0.80625%0.251SS*.THydrogen-bonded Turntrans-137.122.5-168.4-65.693.9000116.3L44 G48L44-H46 VanDerWaalsContact C-N 3.25Å; L44-H46 PolarHBondContact O-N 2.91Å; L44-H46 VanDerWaalsContact O-N 3.11Å; H46-G48 PolarHBondContact O-N 2.83Å
47G68.4Low84.3Confident53 Ų5350.7 Ų50.755%0.54626%0.261SS..SBendtrans64.411.9177.900000115.1C49G47-C49 PolarHBondContact O-N 2.9Å; G47-C49 VanDerWaalsContact O-N 3.09Å
48G82.3Confident84.6Confident31 Ų3157.7 Ų57.732%0.3229%0.29SS..THydrogen-bonded Turntrans-65.5-6.7179.300000115.1H46 N50 K51 I52H46-G48 PolarHBondContact O-N 2.83Å; G48-N50 PolarHBondContact O-N 3.14Å; G48-N50 VanDerWaalsContact O-N 3.16Å; G48-K51 WeakPolarHBondContact O-CB 3.37Å; G48-K51 PolarHBondContact O-N 3.47Å; G48-I52 PolarHBondContact O-N 3.05Å
49C85.8Confident84.7Confident2 Ų260.7 Ų60.71%0.01430%0.304CS..Hα-helixtrans-50.2-41.6178.8-172.20000112.2L44 G47 K51 I52 L53L44-C49 HydrophobicContact CD1-CB 4.2Å; G47-C49 PolarHBondContact O-N 2.9Å; G47-C49 VanDerWaalsContact O-N 3.09Å; C49-K51 VanDerWaalsContact C-N 3.34Å; C49-K51 PolarHBondContact O-N 3.36Å; C49-I52 PolarHBondContact O-N 3.46Å; C49-L53 WeakPolarHBondContact O-CB 3.45Å; C49-L53 VanDerWaalsContact O-CG 3.25Å; C49-L53 WeakPolarHBondContact O-CG 3.4Å; C49-L53 PolarHBondContact O-N 3.07Å
50N86.9Confident84.8Confident62 Ų6267.5 Ų67.533%0.33233%0.332SS..Hα-helixtrans-64.8-34178.4-77.4-47.8000114.2V35 G48 R54V35-N50 WeakPolarHBondContact CG1-OD1 3.42Å; G48-N50 PolarHBondContact O-N 3.14Å; G48-N50 VanDerWaalsContact O-N 3.16Å; N50-R54 WeakPolarHBondContact O-CG 3.32Å; N50-R54 PolarHBondContact O-N 2.92Å; N50-R54 PolarHBondContact O-NE 3.19Å
51K89.8Confident85.2Confident144 Ų14467.7 Ų67.763%0.62633%0.333SS*.Hα-helixtrans-69.6-48.2177.6-176.4-174.5172.9-170.30109.4G48 C49 R54 E55G48-K51 WeakPolarHBondContact O-CB 3.37Å; G48-K51 PolarHBondContact O-N 3.47Å; C49-K51 VanDerWaalsContact C-N 3.34Å; C49-K51 PolarHBondContact O-N 3.36Å; K51-R54 PolarHBondContact O-N 2.82Å; K51-E55 PolarHBondContact O-N 2.9Å; K51-E55 VanDerWaalsContact O-N 3.12Å
52I91.6Very high85.6Confident19 Ų1967.6 Ų67.610%0.09733%0.333CS..Hα-helixtrans-58.7-49.5177.2-68.1169.8000110.6D15 D16 V19 L44 G48 C49 R54 E55 L56D15-I52 HydrophobicContact CB-CD1 3.84Å; D16-I52 HydrophobicContact CB-CG2 4.45Å; D16-I52 WeakPolarHBondContact OD1-CG2 3.35Å; V19-I52 HydrophobicContact CB-CG2 3.85Å; V19-I52 HydrophobicContact CG1-CG2 4.02Å; V19-I52 HydrophobicContact CG2-CB 4.35Å; V19-I52 HydrophobicContact CG2-CD1 4.13Å; V19-I52 HydrophobicContact CG2-CG2 3.83Å; L44-I52 HydrophobicContact CD1-CD1 3.93Å; G48-I52 PolarHBondContact O-N 3.05Å; C49-I52 PolarHBondContact O-N 3.46Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.86Å; I52-E55 CarbonylContact O-C 3.34Å; I52-E55 WeakPolarHBondContact O-CA 3.45Å; I52-E55 WeakPolarHBondContact O-CB 3.45Å; I52-E55 PolarHBondContact O-N 2.82Å; I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.06Å
53L91.3Very high85.9Confident0 Ų069.6 Ų69.60%035%0.345CS..Hα-helixtrans-57.8-39.8179-74.3166.9000112.5V19 V23 V35 L38 C49 E55 V57 Y73V19-L53 HydrophobicContact CG1-CD2 3.58Å; V19-L53 HydrophobicContact CG1-CG 3.89Å; V23-L53 HydrophobicContact CG2-CD2 4.26Å; V35-L53 HydrophobicContact CG1-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CD1 3.92Å; L38-L53 HydrophobicContact CD1-CD2 4.04Å; C49-L53 WeakPolarHBondContact O-CB 3.45Å; C49-L53 VanDerWaalsContact O-CG 3.25Å; C49-L53 WeakPolarHBondContact O-CG 3.4Å; C49-L53 PolarHBondContact O-N 3.07Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 2.88Å; L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.46Å; L53-V57 PolarHBondContact O-N 3.19Å; L53-Y73 HydrophobicContact CB-CD1 4.47Å; L53-Y73 HydrophobicContact CB-CE1 3.95Å; L53-Y73 HydrophobicContact CB-CE2 4.07Å; L53-Y73 HydrophobicContact CD1-CD2 3.86Å; L53-Y73 HydrophobicContact CD1-CE2 3.68Å; L53-Y73 HydrophobicContact CD2-CD1 4.23Å; L53-Y73 HydrophobicContact CD2-CD2 4.11Å; L53-Y73 HydrophobicContact CD2-CE2 4.44Å; L53-Y73 HydrophobicContact CD2-CG 4Å; L53-Y73 HydrophobicContact CG-CD2 4.41Å; L53-Y73 HydrophobicContact CG-CE2 4.28Å
54R90.9Very high86.3Confident144 Ų14472.2 Ų72.254%0.54335%0.349SS..Hα-helixtrans-64.7-36.2174.5-75.8-175.4-69.4-103.34.1112.5N50 K51 I52 K58N50-R54 WeakPolarHBondContact O-CG 3.32Å; N50-R54 PolarHBondContact O-N 2.92Å; N50-R54 PolarHBondContact O-NE 3.19Å; K51-R54 PolarHBondContact O-N 2.82Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.86Å; R54-K58 WeakPolarHBondContact O-CG 3.39Å; R54-K58 PolarHBondContact O-N 3.46Å
55E91.7Very high86.6Confident83 Ų8374.8 Ų74.839%0.38836%0.361SS..Hα-helixtrans-70.6-46.1177.1-171.8160.5-170.600111.6K51 I52 L53 V57 K58 H59K51-E55 PolarHBondContact O-N 2.9Å; K51-E55 VanDerWaalsContact O-N 3.12Å; I52-E55 CarbonylContact O-C 3.34Å; I52-E55 WeakPolarHBondContact O-CA 3.45Å; I52-E55 WeakPolarHBondContact O-CB 3.45Å; I52-E55 PolarHBondContact O-N 2.82Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 2.88Å; E55-V57 PolarHBondContact O-N 3.25Å; E55-K58 WeakPolarHBondContact O-CB 3.24Å; E55-K58 PolarHBondContact O-N 2.87Å; E55-H59 PolarHBondContact O-CD2 3.3Å; E55-H59 PolarHBondContact O-N 3.03Å
56L92.3Very high87.3Confident0 Ų073.3 Ų73.30%035%0.349CS..Hα-helixtrans-58.2-35.4174.2-65.6175.7000112.4L12 D16 V19 L20 I52 H59 K60 L61 V62L12-L56 HydrophobicContact CD2-CD2 4.16Å; D16-L56 HydrophobicContact CB-CD2 4.38Å; V19-L56 HydrophobicContact CB-CD1 4.39Å; V19-L56 HydrophobicContact CG1-CD1 3.96Å; L20-L56 HydrophobicContact CD1-CD2 4.13Å; L20-L56 HydrophobicContact CD2-CD1 3.88Å; L20-L56 HydrophobicContact CD2-CD2 4.22Å; L20-L56 HydrophobicContact CG-CD1 3.9Å; L20-L56 HydrophobicContact CG-CD2 4.12Å; I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4Å; I52-L56 WeakPolarHBondContact O-CG 3.39Å; I52-L56 PolarHBondContact O-N 3.06Å; L56-H59 PolarHBondContact O-N 3.16Å; L56-K60 PolarHBondContact O-N 3.33Å; L56-L61 HydrophobicContact CB-CB 4.48Å; L56-L61 HydrophobicContact CD2-CB 4.43Å; L56-L61 HydrophobicContact CD2-CD1 3.77Å; L56-L61 PolarHBondContact O-N 3.28Å; L56-V62 HydrophobicContact CB-CG1 4.3Å; L56-V62 HydrophobicContact CB-CG2 3.61Å; L56-V62 HydrophobicContact CD1-CG1 4.41Å
57V93.3Very high88Confident50 Ų5068.1 Ų68.130%0.30333%0.333SS..Hα-helixtrans-64.7-41.3172.7170.50000111.7L53 E55 H59 K60 V62 Y73L53-V57 VanDerWaalsContact O-CG2 3.31Å; L53-V57 WeakPolarHBondContact O-CG2 3.46Å; L53-V57 PolarHBondContact O-N 3.19Å; E55-V57 PolarHBondContact O-N 3.25Å; V57-H59 PolarHBondContact O-N 3.18Å; V57-K60 PolarHBondContact O-N 3.22Å; V57-V62 HydrophobicContact CB-CG2 4.48Å; V57-V62 HydrophobicContact CG2-CG2 3.6Å; V57-Y73 HydrophobicContact CG2-CD1 3.98Å; V57-Y73 HydrophobicContact CG2-CE1 3.64Å
58K91Very high88.1Confident171 Ų17175.7 Ų75.774%0.74335%0.351SS*.Hα-helixtrans-59.5-38.4178.3-69.2174.5-178.7-178.80111.4R54 E55 K60R54-K58 WeakPolarHBondContact O-CG 3.39Å; R54-K58 PolarHBondContact O-N 3.46Å; E55-K58 WeakPolarHBondContact O-CB 3.24Å; E55-K58 PolarHBondContact O-N 2.87Å; K58-K60 PolarHBondContact O-N 3.21Å
59H89.8Confident87.6Confident64 Ų6480.2 Ų80.230%0.29637%0.372SS..THydrogen-bonded Turntrans-82.53.5176.7-62.1-64.3000113.9M8 E55 L56 V57 L61M8-H59 PolarHBondContact SD-CE1 3.15Å; E55-H59 PolarHBondContact O-CD2 3.3Å; E55-H59 PolarHBondContact O-N 3.03Å; L56-H59 PolarHBondContact O-N 3.16Å; V57-H59 PolarHBondContact O-N 3.18Å; H59-L61 HydrophobicContact CB-CD1 4.19Å; H59-L61 HydrophobicContact CB-CG 3.98Å; H59-L61 PolarHBondContact O-N 2.83Å
60K90Very high87.1Confident155 Ų15583.1 Ų83.167%0.67439%0.39SS*.THydrogen-bonded Turntrans58.926.1-179-53.3177.9179.4177.10113.6L56 V57 K58 N76L56-K60 PolarHBondContact O-N 3.33Å; V57-K60 PolarHBondContact O-N 3.22Å; K58-K60 PolarHBondContact O-N 3.21Å; K60-N76 WeakPolarHBondContact O-CB 3.4Å; K60-N76 PolarHBondContact O-ND2 2.99Å
61L91.5Very high86.9Confident5 Ų582 Ų823%0.02638%0.383CS..SBendtrans-80.7-34.4176.4-59.3179.1000111.2L12 L20 L56 H59 N76 G79 Y82L12-L61 HydrophobicContact CD1-CD1 3.82Å; L12-L61 HydrophobicContact CD2-CD1 4.41Å; L20-L61 HydrophobicContact CD1-CD1 4.5Å; L20-L61 HydrophobicContact CD2-CB 4.26Å; L56-L61 HydrophobicContact CB-CB 4.48Å; L56-L61 HydrophobicContact CD2-CB 4.43Å; L56-L61 HydrophobicContact CD2-CD1 3.77Å; L56-L61 PolarHBondContact O-N 3.28Å; H59-L61 HydrophobicContact CB-CD1 4.19Å; H59-L61 HydrophobicContact CB-CG 3.98Å; H59-L61 PolarHBondContact O-N 2.83Å; L61-N76 WeakPolarHBondContact O-CB 3.39Å; L61-N76 PolarHBondContact O-N 3.12Å; L61-G79 WeakPolarHBondContact O-CA 3.46Å; L61-G79 PolarHBondContact O-N 3.03Å; L61-Y82 HydrophobicContact CD1-CD1 4.05Å; L61-Y82 HydrophobicContact CD1-CE1 4.23Å; L61-Y82 HydrophobicContact CD2-CD1 4.05Å; L61-Y82 HydrophobicContact CD2-CD2 3.98Å; L61-Y82 HydrophobicContact CD2-CE1 4.17Å; L61-Y82 HydrophobicContact CD2-CE2 4.1Å; L61-Y82 HydrophobicContact CD2-CG 3.95Å
62V92.8Very high86.8Confident2 Ų275.1 Ų75.11%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-125.1153171.6-56.80000109.9L20 V23 L56 V57 Y73 R74 L75L20-V62 HydrophobicContact CD2-CG1 3.63Å; V23-V62 HydrophobicContact CG2-CG1 4.47Å; L56-V62 HydrophobicContact CB-CG1 4.3Å; L56-V62 HydrophobicContact CB-CG2 3.61Å; L56-V62 HydrophobicContact CD1-CG1 4.41Å; V57-V62 HydrophobicContact CB-CG2 4.48Å; V57-V62 HydrophobicContact CG2-CG2 3.6Å; V62-Y73 HydrophobicContact CG2-CD1 3.98Å; V62-R74 CarbonylContact C-O 3.58Å; V62-R74 WeakPolarHBondContact CA-O 3.39Å; V62-L75 HydrophobicContact CG1-CD1 4.17Å
63V91.1Very high86.8Confident41 Ų4175.1 Ų75.125%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-111127.7174.9-179.40000108Y73 R74 N76V63-Y73 WeakPolarHBondContact O-CA 3.35Å; V63-R74 HydrophobicContact CB-CG 3.94Å; V63-R74 PolarHBondContact N-O 3.35Å; V63-R74 PolarHBondContact O-N 3.38Å; V63-N76 HydrophobicContact CG2-CB 4.14Å
64Y91.3Very high86.8Confident97 Ų9779.2 Ų79.238%0.3837%0.367SS..EExtended strand (participates in β ladder)trans-82.5124.6168.6178.5-108000109R66 G72 Y73Y64-R66 HydrophobicContact CE1-CB 4.35Å; Y64-G72 VanDerWaalsContact CD2-O 3.22Å; Y64-G72 WeakPolarHBondContact CD2-O 3.32Å; Y64-Y73 HydrophobicContact CD2-CD1 4.09Å; Y64-Y73 HydrophobicContact CD2-CD2 4.35Å; Y64-Y73 AromaticContact CD2-CE1 3.69Å; Y64-Y73 HydrophobicContact CD2-CE1 3.69Å; Y64-Y73 AromaticContact CD2-CE2 3.95Å; Y64-Y73 HydrophobicContact CD2-CE2 3.95Å; Y64-Y73 HydrophobicContact CD2-CG 4.41Å; Y64-Y73 AromaticContact CD2-CZ 3.61Å; Y64-Y73 HydrophobicContact CE2-CE2 4.38Å; Y64-Y73 HydrophobicContact CG-CE1 4.16Å
65E86.5Confident86.8Confident76 Ų7672.5 Ų72.536%0.35534%0.342SS..EExtended strand (participates in β ladder)trans-127.1136.8-179.2-165.3157.6173.300110.6I32 G72 R74I32-E65 HydrophobicContact CD1-CB 4.15Å; I32-E65 HydrophobicContact CD1-CG 3.92Å; E65-G72 PolarHBondContact N-O 3.12Å; E65-G72 PolarHBondContact O-N 3.21Å; E65-R74 VanDerWaalsContact OE2-CD 3.31Å; E65-R74 WeakPolarHBondContact OE2-CD 3.47Å; E65-R74 IonicContact OE2-CZ 3.53Å; E65-R74 IonicContact OE2-NE 2.8Å; E65-R74 PolarHBondContact OE2-NE 3.48Å; E65-R74 IonicContact OE2-NH2 2.67Å
66R82.9Confident86.7Confident166 Ų16670.7 Ų70.763%0.62634%0.335SS*.EExtended strand (participates in β ladder)trans-127.2104.2-179.1-178-178.5171.8-172-3.7108.6Y64Y64-R66 HydrophobicContact CE1-CB 4.35Å
67S76.2Confident86.5Confident65 Ų6572.1 Ų72.146%0.45534%0.34SS..  trans-88.2178.3167.3-171.50000110.4T69 V70S67-T69 VanDerWaalsContact C-N 3.26Å; S67-T69 PolarHBondContact O-N 2.84Å; S67-V70 WeakPolarHBondContact CA-O 3.45Å; S67-V70 WeakPolarHBondContact CB-O 3.46Å; S67-V70 PolarHBondContact N-O 3.47Å
68K72.3Confident86.3Confident212 Ų21270.7 Ų70.792%0.92234%0.336SS*.SBendtrans-62.7-33.5-179.5-168.6177.1-178.8-178.60112.2
69T70.2Confident86.3Confident127 Ų12762.6 Ų62.678%0.77930%0.301SS*.SBendtrans-117.2-29.8-174.750.10000113.7S67S67-T69 VanDerWaalsContact C-N 3.26Å; S67-T69 PolarHBondContact O-N 2.84Å
70V75.1Confident86.5Confident63 Ų6360 Ų6038%0.38229%0.289SS..  trans-118.9135.8-174.8-175.80000110.2I32 S67I32-V70 HydrophobicContact CB-CG1 4.1Å; I32-V70 HydrophobicContact CG2-CG1 4.11Å; S67-V70 WeakPolarHBondContact CA-O 3.45Å; S67-V70 WeakPolarHBondContact CB-O 3.46Å; S67-V70 PolarHBondContact N-O 3.47Å
71Q83.1Confident86.7Confident38 Ų3852.7 Ų52.718%0.17826%0.257CS..EExtended strand (participates in β ladder)trans-128139.2174.966.4-168.81.300109.3
72G88.7Confident86.8Confident0 Ų052.8 Ų52.80%026%0.257CS..EExtended strand (participates in β ladder)trans172.5-160.6-179.100000113.2V33 Y64 E65V33-G72 CarbonylContact O-C 3.56Å; V33-G72 WeakPolarHBondContact O-CA 3.45Å; Y64-G72 VanDerWaalsContact CD2-O 3.22Å; Y64-G72 WeakPolarHBondContact CD2-O 3.32Å; E65-G72 PolarHBondContact N-O 3.12Å; E65-G72 PolarHBondContact O-N 3.21Å
73Y91.4Very high86.9Confident19 Ų1952.7 Ų52.78%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-120.8146.8-179.3-62.8-94.1000109.4V33 V35 L38 L53 V57 V62 V63 Y64V33-Y73 WeakPolarHBondContact CB-O 3.16Å; V33-Y73 PolarHBondContact N-O 3.25Å; V33-Y73 PolarHBondContact O-N 3.16Å; V35-Y73 HydrophobicContact CG2-CD2 3.92Å; V35-Y73 HydrophobicContact CG2-CE2 3.54Å; L38-Y73 HydrophobicContact CD1-CD2 3.96Å; L38-Y73 HydrophobicContact CD1-CG 4.41Å; L53-Y73 HydrophobicContact CB-CD1 4.47Å; L53-Y73 HydrophobicContact CB-CE1 3.95Å; L53-Y73 HydrophobicContact CB-CE2 4.07Å; L53-Y73 HydrophobicContact CD1-CD2 3.86Å; L53-Y73 HydrophobicContact CD1-CE2 3.68Å; L53-Y73 HydrophobicContact CD2-CD1 4.23Å; L53-Y73 HydrophobicContact CD2-CD2 4.11Å; L53-Y73 HydrophobicContact CD2-CE2 4.44Å; L53-Y73 HydrophobicContact CD2-CG 4Å; L53-Y73 HydrophobicContact CG-CD2 4.41Å; L53-Y73 HydrophobicContact CG-CE2 4.28Å; V57-Y73 HydrophobicContact CG2-CD1 3.98Å; V57-Y73 HydrophobicContact CG2-CE1 3.64Å; V62-Y73 HydrophobicContact CG2-CD1 3.98Å; V63-Y73 WeakPolarHBondContact O-CA 3.35Å; Y64-Y73 HydrophobicContact CD2-CD1 4.09Å; Y64-Y73 HydrophobicContact CD2-CD2 4.35Å; Y64-Y73 AromaticContact CD2-CE1 3.69Å; Y64-Y73 HydrophobicContact CD2-CE1 3.69Å; Y64-Y73 AromaticContact CD2-CE2 3.95Å; Y64-Y73 HydrophobicContact CD2-CE2 3.95Å; Y64-Y73 HydrophobicContact CD2-CG 4.41Å; Y64-Y73 AromaticContact CD2-CZ 3.61Å; Y64-Y73 HydrophobicContact CE2-CE2 4.38Å; Y64-Y73 HydrophobicContact CG-CE1 4.16Å
74R90.1Very high87.1Confident85 Ų8550.8 Ų50.832%0.32125%0.245SC..EExtended strand (participates in β ladder)trans-126.5153.1167.566178-179.387-4.4109.7M27 V62 V63 E65M27-R74 HydrophobicContact CE-CB 4.47Å; M27-R74 HydrophobicContact SD-CB 4.41Å; V62-R74 CarbonylContact C-O 3.58Å; V62-R74 WeakPolarHBondContact CA-O 3.39Å; V63-R74 HydrophobicContact CB-CG 3.94Å; V63-R74 PolarHBondContact N-O 3.35Å; V63-R74 PolarHBondContact O-N 3.38Å; E65-R74 VanDerWaalsContact OE2-CD 3.31Å; E65-R74 WeakPolarHBondContact OE2-CD 3.47Å; E65-R74 IonicContact OE2-CZ 3.53Å; E65-R74 IonicContact OE2-NE 2.8Å; E65-R74 PolarHBondContact OE2-NE 3.48Å; E65-R74 IonicContact OE2-NH2 2.67Å
75L91.1Very high87.2Confident3 Ų346.2 Ų46.22%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-72.7139.9177.6-160.564.7000109.9L20 V23 E24 M27 V62 Y80 L83 L151L20-L75 HydrophobicContact CD2-CD1 3.83Å; V23-L75 HydrophobicContact CG1-CB 4.13Å; V23-L75 HydrophobicContact CG1-CD1 4.48Å; E24-L75 HydrophobicContact CB-CD2 4.46Å; M27-L75 HydrophobicContact CE-CB 4.18Å; M27-L75 HydrophobicContact SD-CB 3.28Å; M27-L75 WeakPolarHBondContact SD-CB 3.35Å; M27-L75 PolarHBondContact SD-N 3.36Å; V62-L75 HydrophobicContact CG1-CD1 4.17Å; L75-Y80 HydrophobicContact CD2-CD2 3.51Å; L75-Y80 HydrophobicContact CD2-CE2 4.46Å; L75-Y80 HydrophobicContact CD2-CG 4.09Å; L75-L83 HydrophobicContact CD2-CD1 4Å; L75-L151 HydrophobicContact CB-CD1 4.17Å; L75-L151 HydrophobicContact CD2-CD1 4.45Å
76N89.6Confident87.6Confident45 Ų4545.7 Ų45.724%0.24122%0.224CC..  trans-95.7163.7167.8-162.710000109.6K60 L61 V63 G78 G79 Y80K60-N76 WeakPolarHBondContact O-CB 3.4Å; K60-N76 PolarHBondContact O-ND2 2.99Å; L61-N76 WeakPolarHBondContact O-CB 3.39Å; L61-N76 PolarHBondContact O-N 3.12Å; V63-N76 HydrophobicContact CG2-CB 4.14Å; N76-G78 VanDerWaalsContact C-N 3.25Å; N76-G78 PolarHBondContact O-N 2.81Å; N76-G79 PolarHBondContact O-N 3.02Å; N76-Y80 PolarHBondContact O-N 2.92Å
77Y87.7Confident88.1Confident30 Ų3037.8 Ų37.812%0.11819%0.194CC..Hα-helixtrans-53.3-42.1174.5-81.2-85.4000113M1 G79 Y80 D81 L127 W150 L151M1-Y77 HydrophobicContact CE-CD1 4.33Å; M1-Y77 HydrophobicContact CE-CD2 3.04Å; M1-Y77 HydrophobicContact CE-CE1 4.38Å; M1-Y77 HydrophobicContact CE-CE2 3.11Å; M1-Y77 HydrophobicContact CE-CG 3.66Å; Y77-G79 VanDerWaalsContact C-N 3.34Å; Y77-G79 PolarHBondContact O-N 3.38Å; Y77-Y80 WeakPolarHBondContact O-CB 3.48Å; Y77-Y80 PolarHBondContact O-N 3.3Å; Y77-Y80 VanDerWaalsContact O-N 3.12Å; Y77-D81 PolarHBondContact O-N 3.22Å; Y77-D81 VanDerWaalsContact O-OD2 3.08Å; Y77-L127 PolarHBondContact OH-O 3.46Å; Y77-W150 WeakPolarHBondContact OH-CB 3.15Å; Y77-L151 HydrophobicContact CD1-CD2 3.45Å; Y77-L151 VanDerWaalsContact CD1-CD2 3.45Å; Y77-L151 HydrophobicContact CD2-CD2 4.14Å; Y77-L151 HydrophobicContact CE1-CD2 3.53Å; Y77-L151 HydrophobicContact CE2-CD2 4.22Å; Y77-L151 HydrophobicContact CG-CD2 3.82Å
78G89.7Confident89Confident21 Ų2134.7 Ų34.722%0.21617%0.172CC..Hα-helixtrans-61.9-38.6175.900000113.5N76 Y80 D81 Y82N76-G78 VanDerWaalsContact C-N 3.25Å; N76-G78 PolarHBondContact O-N 2.81Å; G78-Y80 VanDerWaalsContact C-N 3.31Å; G78-D81 WeakPolarHBondContact CA-OD2 3.45Å; G78-D81 PolarHBondContact O-N 3.41Å; G78-Y82 WeakPolarHBondContact O-CB 3.39Å; G78-Y82 WeakPolarHBondContact O-CD2 3.22Å; G78-Y82 PolarHBondContact O-N 3.45Å
79G92Very high89.9Confident0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-66.3-36.8174.200000112.1L61 N76 Y77 Y82 L83L61-G79 WeakPolarHBondContact O-CA 3.46Å; L61-G79 PolarHBondContact O-N 3.03Å; N76-G79 PolarHBondContact O-N 3.02Å; Y77-G79 VanDerWaalsContact C-N 3.34Å; Y77-G79 PolarHBondContact O-N 3.38Å; G79-Y82 PolarHBondContact O-N 2.94Å; G79-L83 WeakPolarHBondContact O-CG 3.35Å; G79-L83 PolarHBondContact O-N 3.09Å; G79-L83 VanDerWaalsContact O-N 3.1Å
80Y92.8Very high90.9Very high9 Ų922 Ų224%0.03512%0.115CC..Hα-helixtrans-68-41.3176.4-156.3-132.8000112E24 L75 N76 Y77 G78 Y82 L83 A84 L151 R183 H184E24-Y80 WeakPolarHBondContact OE1-CE2 3.25Å; L75-Y80 HydrophobicContact CD2-CD2 3.51Å; L75-Y80 HydrophobicContact CD2-CE2 4.46Å; L75-Y80 HydrophobicContact CD2-CG 4.09Å; N76-Y80 PolarHBondContact O-N 2.92Å; Y77-Y80 WeakPolarHBondContact O-CB 3.48Å; Y77-Y80 PolarHBondContact O-N 3.3Å; Y77-Y80 VanDerWaalsContact O-N 3.12Å; G78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-Y82 VanDerWaalsContact C-N 3.3Å; Y80-Y82 PolarHBondContact O-N 3.26Å; Y80-L83 PolarHBondContact O-N 2.86Å; Y80-A84 PolarHBondContact O-N 3.37Å; Y80-L151 HydrophobicContact CD1-CB 4.24Å; Y80-L151 HydrophobicContact CD1-CD2 3.74Å; Y80-L151 HydrophobicContact CD1-CG 4.47Å; Y80-L151 HydrophobicContact CE1-CB 4.21Å; Y80-L151 HydrophobicContact CE1-CD2 4.49Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å; Y80-R183 HydrophobicContact CE1-CB 4Å; Y80-R183 HydrophobicContact CE2-CB 4.05Å; Y80-R183 VanDerWaalsContact CE2-CD 3.5Å; Y80-R183 HydrophobicContact CE2-CG 3.85Å; Y80-R183 WeakPolarHBondContact OH-CB 3.45Å; Y80-H184 HydrophobicContact CD1-CB 4.25Å; Y80-H184 AromaticContact CD1-CE1 3.3Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.39Å; Y80-H184 AromaticContact CD1-CG 3.53Å; Y80-H184 AromaticContact CD1-ND1 2.99Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.48Å; Y80-H184 AromaticContact CD1-NE2 3.94Å; Y80-H184 HydrophobicContact CE1-CB 3.8Å; Y80-H184 AromaticContact CE1-CE1 3.92Å; Y80-H184 AromaticContact CE1-CG 3.56Å; Y80-H184 AromaticContact CE1-ND1 3.12Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.3Å; Y80-H184 AromaticContact CG-CE1 3.83Å; Y80-H184 AromaticContact CG-ND1 3.85Å; Y80-H184 PolarHBondContact O-CE1 2.99Å
81D93.8Very high91.8Very high3 Ų323.4 Ų23.42%0.01611%0.113CC..Hα-helixtrans-59-43.5173-55.8-34.1000111.7L4 Y77 G78 L83 A84 L85 R126 H184L4-D81 HydrophobicContact CD1-CB 3.64Å; Y77-D81 PolarHBondContact O-N 3.22Å; Y77-D81 VanDerWaalsContact O-OD2 3.08Å; G78-D81 WeakPolarHBondContact CA-OD2 3.45Å; G78-D81 PolarHBondContact O-N 3.41Å; D81-L83 VanDerWaalsContact C-N 3.35Å; D81-L83 PolarHBondContact O-N 3.45Å; D81-A84 WeakPolarHBondContact O-CB 3.41Å; D81-A84 PolarHBondContact O-N 3.45Å; D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 VanDerWaalsContact O-CG 3.29Å; D81-L85 WeakPolarHBondContact O-CG 3.45Å; D81-L85 PolarHBondContact O-N 3.17Å; D81-R126 VanDerWaalsContact CG-NH1 3.33Å; D81-R126 IonicContact OD1-CZ 2.76Å; D81-R126 IonicContact OD1-NH1 3.97Å; D81-R126 PolarHBondContact OD1-NH1 2.75Å; D81-R126 IonicContact OD1-NH2 3.82Å; D81-R126 PolarHBondContact OD1-NH2 2.92Å; D81-R126 VanDerWaalsContact OD1-NH2 3.11Å; D81-R126 IonicContact OD2-CZ 3.16Å; D81-R126 IonicContact OD2-NH1 3.2Å; D81-R126 PolarHBondContact OD2-NH1 3.01Å; D81-R126 IonicContact OD2-NH2 3.5Å; D81-R126 PolarHBondContact OD2-NH2 3.38Å; D81-H184 IonicContact OD1-CD2 3.63Å; D81-H184 IonicContact OD1-CE1 2.71Å; D81-H184 PolarHBondContact OD1-CE1 3.07Å; D81-H184 IonicContact OD1-NE2 3.6Å; D81-H184 PolarHBondContact OD1-NE2 2.88Å
82Y94.4Very high92.2Very high7 Ų728.9 Ų28.93%0.02714%0.139CC..Hα-helixtrans-65-40.4-178.6-90.3-129.2000112N5 M8 L9 L12 L61 G78 G79 Y80 A84 K86N5-Y82 WeakPolarHBondContact O-CE2 3.43Å; N5-Y82 PolarHBondContact O-OH 2.83Å; M8-Y82 HydrophobicContact CB-CE1 4.04Å; M8-Y82 WeakPolarHBondContact CB-OH 3.21Å; M8-Y82 PolarHBondContact N-OH 3.07Å; L9-Y82 HydrophobicContact CB-CD1 4.39Å; L9-Y82 HydrophobicContact CB-CE1 3.95Å; L9-Y82 HydrophobicContact CD1-CD1 3.49Å; L9-Y82 VanDerWaalsContact CD1-CD1 3.49Å; L9-Y82 HydrophobicContact CD1-CE1 3.95Å; L9-Y82 HydrophobicContact CD1-CG 3.83Å; L9-Y82 PolarHBondContact N-OH 3.09Å; L12-Y82 HydrophobicContact CD1-CD1 3.44Å; L12-Y82 VanDerWaalsContact CD1-CD1 3.44Å; L12-Y82 HydrophobicContact CD1-CE1 3.7Å; L61-Y82 HydrophobicContact CD1-CD1 4.05Å; L61-Y82 HydrophobicContact CD1-CE1 4.23Å; L61-Y82 HydrophobicContact CD2-CD1 4.05Å; L61-Y82 HydrophobicContact CD2-CD2 3.98Å; L61-Y82 HydrophobicContact CD2-CE1 4.17Å; L61-Y82 HydrophobicContact CD2-CE2 4.1Å; L61-Y82 HydrophobicContact CD2-CG 3.95Å; G78-Y82 WeakPolarHBondContact O-CB 3.39Å; G78-Y82 WeakPolarHBondContact O-CD2 3.22Å; G78-Y82 PolarHBondContact O-N 3.45Å; G79-Y82 PolarHBondContact O-N 2.94Å; Y80-Y82 VanDerWaalsContact C-N 3.3Å; Y80-Y82 PolarHBondContact O-N 3.26Å; Y82-A84 VanDerWaalsContact C-N 3.33Å; Y82-K86 VanDerWaalsContact O-CB 3.22Å; Y82-K86 WeakPolarHBondContact O-CB 3.45Å; Y82-K86 PolarHBondContact O-N 3.07Å
83L94.3Very high92.4Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-62-43.2172.7-74.7170.3000111F17 L20 E24 L75 G79 Y80 D81 K86 T87 R183 L355F17-L83 HydrophobicContact CD1-CD2 4.42Å; L20-L83 HydrophobicContact CB-CD1 4.23Å; L20-L83 HydrophobicContact CB-CD2 3.81Å; L20-L83 HydrophobicContact CB-CG 4.11Å; E24-L83 HydrophobicContact CB-CD1 4.15Å; L75-L83 HydrophobicContact CD2-CD1 4Å; G79-L83 WeakPolarHBondContact O-CG 3.35Å; G79-L83 PolarHBondContact O-N 3.09Å; G79-L83 VanDerWaalsContact O-N 3.1Å; Y80-L83 PolarHBondContact O-N 2.86Å; D81-L83 VanDerWaalsContact C-N 3.35Å; D81-L83 PolarHBondContact O-N 3.45Å; L83-K86 PolarHBondContact O-N 3.32Å; L83-T87 PolarHBondContact O-N 2.83Å; L83-T87 PolarHBondContact O-OG1 3.02Å; L83-R183 PolarHBondContact O-NH1 3.23Å; L83-L355 HydrophobicContact CD2-CD1 4.41Å
84A94.9Very high92.5Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-61.4-52177.800000112.2Y80 D81 Y82 K86 T87 F88 N182 R183 A185Y80-A84 PolarHBondContact O-N 3.37Å; D81-A84 WeakPolarHBondContact O-CB 3.41Å; D81-A84 PolarHBondContact O-N 3.45Å; Y82-A84 VanDerWaalsContact C-N 3.33Å; A84-K86 VanDerWaalsContact C-N 3.33Å; A84-K86 PolarHBondContact O-N 3.33Å; A84-T87 PolarHBondContact O-N 2.76Å; A84-F88 VanDerWaalsContact O-CD2 3.29Å; A84-F88 WeakPolarHBondContact O-CD2 3.4Å; A84-F88 PolarHBondContact O-N 3.23Å; A84-N182 WeakPolarHBondContact CA-ND2 3.23Å; A84-N182 PolarHBondContact O-ND2 3.45Å; A84-R183 HydrophobicContact CB-CB 4.44Å; A84-A185 HydrophobicContact CB-CB 3.88Å
85L94.3Very high92.6Very high1 Ų131 Ų311%0.00516%0.158CC..Hα-helixtrans-61-39.9178.6-70.6170.9000112.4L4 V6 L9 D81 T87 F88 C89 I94 V97 L122L4-L85 HydrophobicContact CD1-CD1 4.34Å; L4-L85 HydrophobicContact CD2-CD1 4.21Å; V6-L85 HydrophobicContact CG1-CD1 3.6Å; L9-L85 HydrophobicContact CD2-CB 4.1Å; D81-L85 WeakPolarHBondContact O-CB 3.38Å; D81-L85 VanDerWaalsContact O-CG 3.29Å; D81-L85 WeakPolarHBondContact O-CG 3.45Å; D81-L85 PolarHBondContact O-N 3.17Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.93Å; L85-F88 PolarHBondContact O-N 3.09Å; L85-C89 PolarHBondContact O-N 3.27Å; L85-C89 PolarHBondContact O-SG 3.05Å; L85-I94 HydrophobicContact CD2-CD1 4.43Å; L85-V97 HydrophobicContact CD2-CG2 4.13Å; L85-L122 HydrophobicContact CD2-CD2 3.62Å
86K94Very high92.7Very high66 Ų6633.8 Ų33.829%0.28718%0.178SC..Hα-helixtrans-62.1-40.3179.6-18059.9-178.1170.80111.9F17 Y82 L83 A84 C89 S90 L355F17-K86 HydrophobicContact CD1-CB 3.89Å; F17-K86 HydrophobicContact CD1-CD 4.47Å; F17-K86 HydrophobicContact CD1-CG 3.74Å; F17-K86 HydrophobicContact CD2-CD 4.25Å; F17-K86 HydrophobicContact CD2-CG 4.28Å; F17-K86 HydrophobicContact CE1-CB 3.47Å; F17-K86 VanDerWaalsContact CE1-CB 3.47Å; F17-K86 HydrophobicContact CE1-CD 4.15Å; F17-K86 HydrophobicContact CE1-CG 3.66Å; F17-K86 HydrophobicContact CE2-CD 3.91Å; F17-K86 HydrophobicContact CE2-CG 4.21Å; F17-K86 HydrophobicContact CG-CG 4.06Å; F17-K86 HydrophobicContact CZ-CB 3.95Å; F17-K86 HydrophobicContact CZ-CD 3.84Å; F17-K86 HydrophobicContact CZ-CG 3.9Å; Y82-K86 VanDerWaalsContact O-CB 3.22Å; Y82-K86 WeakPolarHBondContact O-CB 3.45Å; Y82-K86 PolarHBondContact O-N 3.07Å; L83-K86 PolarHBondContact O-N 3.32Å; A84-K86 VanDerWaalsContact C-N 3.33Å; A84-K86 PolarHBondContact O-N 3.33Å; K86-C89 PolarHBondContact O-N 3.06Å; K86-S90 PolarHBondContact O-N 2.91Å; K86-S90 PolarHBondContact O-OG 2.94Å; K86-L355 HydrophobicContact CB-CD2 3.88Å; K86-L355 HydrophobicContact CG-CD2 3.54Å
87T93.9Very high92.9Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-64.4-43.3174-60.50000111.7L83 A84 L85 C89 S90 R91 N182 R183 E354 L355L83-T87 PolarHBondContact O-N 2.83Å; L83-T87 PolarHBondContact O-OG1 3.02Å; A84-T87 PolarHBondContact O-N 2.76Å; L85-T87 VanDerWaalsContact C-N 3.31Å; L85-T87 PolarHBondContact O-N 2.93Å; T87-C89 VanDerWaalsContact C-N 3.26Å; T87-C89 PolarHBondContact O-N 3.34Å; T87-S90 WeakPolarHBondContact CA-OG 3.42Å; T87-S90 PolarHBondContact O-N 3.42Å; T87-S90 VanDerWaalsContact O-N 3.14Å; T87-S90 PolarHBondContact O-OG 3.28Å; T87-R91 HydrophobicContact CG2-CG 4.37Å; T87-R91 WeakPolarHBondContact O-CG 3.49Å; T87-R91 PolarHBondContact O-N 2.76Å; T87-N182 WeakPolarHBondContact CB-ND2 3.29Å; T87-N182 HydrophobicContact CG2-CB 4.35Å; T87-N182 WeakPolarHBondContact CG2-ND2 3.45Å; T87-N182 PolarHBondContact OG1-ND2 3.5Å; T87-R183 PolarHBondContact OG1-NH1 3.41Å; T87-E354 HydrophobicContact CG2-CG 3.98Å; T87-E354 VanDerWaalsContact CG2-OE1 3.28Å; T87-E354 WeakPolarHBondContact CG2-OE1 3.46Å; T87-L355 WeakPolarHBondContact OG1-CD2 3.48Å
88F94.7Very high93Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-64.5-33.2176.9-65.5-49.4000112.7A84 L85 E92 V93 I94 L122 D180 N182 A185 V187A84-F88 VanDerWaalsContact O-CD2 3.29Å; A84-F88 WeakPolarHBondContact O-CD2 3.4Å; A84-F88 PolarHBondContact O-N 3.23Å; L85-F88 PolarHBondContact O-N 3.09Å; F88-E92 PolarHBondContact O-N 3.47Å; F88-V93 HydrophobicContact CB-CB 4.5Å; F88-V93 PolarHBondContact O-N 2.97Å; F88-I94 HydrophobicContact CB-CB 4.04Å; F88-I94 HydrophobicContact CB-CD1 3.61Å; F88-I94 HydrophobicContact CB-CG1 3.83Å; F88-I94 HydrophobicContact CD2-CD1 3.66Å; F88-I94 HydrophobicContact CG-CD1 3.82Å; F88-I94 HydrophobicContact CG-CG1 4.41Å; F88-I94 PolarHBondContact O-N 3.35Å; F88-L122 HydrophobicContact CD2-CD1 4.43Å; F88-L122 HydrophobicContact CE2-CD1 3.94Å; F88-D180 HydrophobicContact CD1-CB 4.25Å; F88-D180 WeakPolarHBondContact CD1-OD2 3.32Å; F88-D180 HydrophobicContact CE1-CB 3.91Å; F88-N182 HydrophobicContact CD1-CB 4.5Å; F88-N182 HydrophobicContact CE1-CB 3.77Å; F88-N182 HydrophobicContact CE2-CB 4.31Å; F88-N182 HydrophobicContact CZ-CB 3.67Å; F88-A185 HydrophobicContact CE2-CB 3.61Å; F88-A185 HydrophobicContact CZ-CB 4.03Å; F88-V187 HydrophobicContact CD1-CG2 4.16Å; F88-V187 HydrophobicContact CD2-CG2 4.19Å; F88-V187 HydrophobicContact CE1-CG2 3.91Å; F88-V187 HydrophobicContact CE2-CG2 3.93Å; F88-V187 HydrophobicContact CG-CG2 4.3Å; F88-V187 HydrophobicContact CZ-CG2 3.78Å
89C92.7Very high92.9Very high48 Ų4839.3 Ų39.332%0.32422%0.215SC..Hα-helixtrans-68.7-38.4171.9-66.20000112.4L85 K86 T87 R91 E92 I94L85-C89 PolarHBondContact O-N 3.27Å; L85-C89 PolarHBondContact O-SG 3.05Å; K86-C89 PolarHBondContact O-N 3.06Å; T87-C89 VanDerWaalsContact C-N 3.26Å; T87-C89 PolarHBondContact O-N 3.34Å; C89-R91 VanDerWaalsContact C-N 3.32Å; C89-E92 PolarHBondContact O-N 2.87Å; C89-I94 WeakPolarHBondContact CA-O 3.22Å; C89-I94 PolarHBondContact SG-O 3.25Å
90S91.3Very high92.8Very high24 Ų2441.8 Ų41.817%0.16823%0.226CC..Hα-helixtrans-71.6-27.417862.70000112.9K86 T87 E92 E354 L355K86-S90 PolarHBondContact O-N 2.91Å; K86-S90 PolarHBondContact O-OG 2.94Å; T87-S90 WeakPolarHBondContact CA-OG 3.42Å; T87-S90 PolarHBondContact O-N 3.42Å; T87-S90 VanDerWaalsContact O-N 3.14Å; T87-S90 PolarHBondContact O-OG 3.28Å; S90-E92 VanDerWaalsContact C-N 3.29Å; S90-E354 PolarHBondContact OG-O 3.04Å; S90-L355 WeakPolarHBondContact CB-O 3.49Å
91R93Very high92.4Very high93 Ų9346 Ų4635%0.35125%0.248SC..THydrogen-bonded Turntrans-84.22.6172.2-64.5176.4-177.3-175.3-4113.8T87 C89 V93 D180 Y181 E354T87-R91 HydrophobicContact CG2-CG 4.37Å; T87-R91 WeakPolarHBondContact O-CG 3.49Å; T87-R91 PolarHBondContact O-N 2.76Å; C89-R91 VanDerWaalsContact C-N 3.32Å; R91-V93 HydrophobicContact CB-CG2 4Å; R91-V93 PolarHBondContact O-N 3.14Å; R91-D180 WeakPolarHBondContact CD-OD2 3.35Å; R91-D180 IonicContact CZ-OD2 3.78Å; R91-D180 IonicContact NE-OD2 3.94Å; R91-D180 IonicContact NH1-OD1 2.76Å; R91-D180 PolarHBondContact NH1-OD1 2.89Å; R91-D180 IonicContact NH1-OD2 2.83Å; R91-D180 PolarHBondContact NH1-OD2 2.94Å; R91-Y181 PolarHBondContact NH1-O 2.73Å; R91-E354 IonicContact CZ-OE1 3.47Å; R91-E354 IonicContact NE-OE1 3.73Å; R91-E354 IonicContact NH2-OE1 2.7Å; R91-E354 PolarHBondContact NH2-OE1 2.87Å
92E92.4Very high91.7Very high153 Ų15347 Ų4772%0.71526%0.259SS*.THydrogen-bonded Turntrans59.921.8-178.8-55-175.5148.700114.7F88 C89 S90 P115F88-E92 PolarHBondContact O-N 3.47Å; C89-E92 PolarHBondContact O-N 2.87Å; S90-E92 VanDerWaalsContact C-N 3.29Å; E92-P115 HydrophobicContact CB-CG 4.34Å; E92-P115 WeakPolarHBondContact O-CD 3.33Å; E92-P115 WeakPolarHBondContact O-CG 3.26Å
93V92.8Very high91.2Very high23 Ų2351.3 Ų51.314%0.13929%0.286CS..SBendtrans-80.9-40.7177.5-179.40000111F88 R91 S114 V179 D180 V187F88-V93 HydrophobicContact CB-CB 4.5Å; F88-V93 PolarHBondContact O-N 2.97Å; R91-V93 HydrophobicContact CB-CG2 4Å; R91-V93 PolarHBondContact O-N 3.14Å; V93-S114 WeakPolarHBondContact O-CA 3.43Å; V93-V179 HydrophobicContact CG1-CG1 3.76Å; V93-D180 HydrophobicContact CG1-CB 4.32Å; V93-D180 HydrophobicContact CG2-CB 4.2Å; V93-V187 HydrophobicContact CG1-CB 4.48Å; V93-V187 HydrophobicContact CG1-CG1 4.11Å; V93-V187 HydrophobicContact CG1-CG2 4.44Å
94I93.6Very high90.3Very high4 Ų452.9 Ų52.92%0.02130%0.301CS..  trans-122.1123-177.5-60.4176.1000110L85 F88 C89 V97 V112 L122 V187L85-I94 HydrophobicContact CD2-CD1 4.43Å; F88-I94 HydrophobicContact CB-CB 4.04Å; F88-I94 HydrophobicContact CB-CD1 3.61Å; F88-I94 HydrophobicContact CB-CG1 3.83Å; F88-I94 HydrophobicContact CD2-CD1 3.66Å; F88-I94 HydrophobicContact CG-CD1 3.82Å; F88-I94 HydrophobicContact CG-CG1 4.41Å; F88-I94 PolarHBondContact O-N 3.35Å; C89-I94 WeakPolarHBondContact CA-O 3.22Å; C89-I94 PolarHBondContact SG-O 3.25Å; I94-V97 HydrophobicContact CG2-CG2 4.28Å; I94-V112 HydrophobicContact CD1-CB 4.25Å; I94-V112 HydrophobicContact CD1-CG1 4.19Å; I94-V112 HydrophobicContact CD1-CG2 4.04Å; I94-V112 HydrophobicContact CG1-CB 4.22Å; I94-V112 HydrophobicContact CG1-CG2 3.99Å; I94-V112 HydrophobicContact CG2-CB 4.05Å; I94-V112 HydrophobicContact CG2-CG1 4.34Å; I94-L122 HydrophobicContact CD1-CD1 4.32Å; I94-L122 HydrophobicContact CD1-CD2 4.47Å; I94-V187 HydrophobicContact CD1-CG2 3.86Å; I94-V187 HydrophobicContact CG1-CG2 4.43Å
95L92.8Very high89.4Confident122 Ų12260.5 Ų60.564%0.63934%0.335SS*.SBendtrans-100.3-41.4170.2-178.664.6000111.9A113 P115L95-A113 PolarHBondContact N-O 3.4Å; L95-P115 HydrophobicContact CB-CG 4.22Å
96S92Very high88.7Confident61 Ų6163.5 Ų63.543%0.42735%0.349SS..EExtended strand (participates in β ladder)trans-136.4149.2-177.372.20000112.2V112 A113S96-V112 CarbonylContact O-C 3.44Å; S96-V112 VanDerWaalsContact O-CA 3.32Å; S96-V112 WeakPolarHBondContact O-CA 3.22Å; S96-A113 PolarHBondContact N-O 2.88Å; S96-A113 PolarHBondContact O-N 2.8Å; S96-A113 WeakPolarHBondContact OG-CB 3.36Å
97V93Very high88.5Confident38 Ų3861.1 Ų61.123%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-111120.3175-179.20000107.6V6 L85 I94 Y110 V112V6-V97 HydrophobicContact CG1-CB 4.33Å; V6-V97 HydrophobicContact CG1-CG2 4.11Å; V6-V97 HydrophobicContact CG2-CB 4.18Å; V6-V97 HydrophobicContact CG2-CG1 4.19Å; L85-V97 HydrophobicContact CD2-CG2 4.13Å; I94-V97 HydrophobicContact CG2-CG2 4.28Å; V97-Y110 HydrophobicContact CG1-CD1 4.37Å; V97-V112 HydrophobicContact CB-CG1 4.47Å; V97-V112 HydrophobicContact CG1-CG1 4.33Å; V97-V112 HydrophobicContact CG2-CG1 4.13Å
98G90.3Very high88.3Confident40 Ų4061.1 Ų61.141%0.41234%0.341SS..EExtended strand (participates in β ladder)trans-90.9-147.8179.900000112.8I111G98-I111 WeakPolarHBondContact CA-O 3.27Å; G98-I111 PolarHBondContact N-O 3.13Å
99N88.4Confident88.2Confident134 Ų13463.6 Ų63.672%0.71735%0.353SS*.EExtended strand (participates in β ladder)trans-73.6151.6-176.2-66.9-32.5000112.1M101 I111N99-M101 PolarHBondContact O-N 3.3Å; N99-I111 PolarHBondContact O-N 2.97Å
100Q89.2Confident88.3Confident51 Ų5161.8 Ų61.824%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-75.3119.2168.7-171.6170.82800108.8V103 D108 Y110Q100-V103 HydrophobicContact CG-CG2 4.43Å; Q100-D108 PolarHBondContact NE2-OD1 2.89Å; Q100-Y110 HydrophobicContact CB-CD1 3.88Å; Q100-Y110 HydrophobicContact CB-CE1 3.66Å; Q100-Y110 HydrophobicContact CG-CD1 4.18Å; Q100-Y110 HydrophobicContact CG-CE1 3.8Å; Q100-Y110 PolarHBondContact NE2-OH 3.44Å; Q100-Y110 VanDerWaalsContact NE2-OH 3.16Å
101M84.3Confident88.5Confident98 Ų9862.6 Ų62.648%0.48334%0.342SS..EExtended strand (participates in β ladder)trans-79.7-46.2177.7-63.2-163.2-67.300111.3N99 I109 I111 A121 L190N99-M101 PolarHBondContact O-N 3.3Å; M101-I109 HydrophobicContact CE-CG2 3.43Å; M101-I109 VanDerWaalsContact CE-CG2 3.43Å; M101-I109 PolarHBondContact N-O 3.18Å; M101-I111 HydrophobicContact CE-CG1 4.16Å; M101-I111 HydrophobicContact CG-CD1 3.66Å; M101-I111 HydrophobicContact CG-CG1 3.51Å; M101-I111 HydrophobicContact SD-CD1 3.73Å; M101-I111 HydrophobicContact SD-CG1 3.46Å; M101-I111 WeakPolarHBondContact SD-CG1 3.2Å; M101-A121 HydrophobicContact CE-CB 4.2Å; M101-L190 HydrophobicContact CE-CD1 3.55Å; M101-L190 HydrophobicContact SD-CD1 3.78Å
102G80.4Confident88.6Confident25 Ų2558.2 Ų58.226%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-145.1141.5-170.400000112.6I109G102-I109 PolarHBondContact N-O 2.92Å; G102-I109 PolarHBondContact O-N 3.2Å
103V82.6Confident88.8Confident97 Ų9751.8 Ų51.859%0.58830%0.298SS*.EExtended strand (participates in β ladder)trans-111.699.7168.6-168.90000107.1Q100Q100-V103 HydrophobicContact CG-CG2 4.43Å
104G76.1Confident88.9Confident32 Ų3251.1 Ų51.133%0.3329%0.294SS..  trans-82.4171.8174.600000112.5E106 S107 R129G104-E106 VanDerWaalsContact C-N 3.29Å; G104-S107 CarbonylContact C-O 2.96Å; G104-S107 WeakPolarHBondContact CA-O 3.38Å; G104-S107 PolarHBondContact N-O 2.94Å; G104-R129 PolarHBondContact O-NH1 3.36Å
105K75.8Confident88.8Confident161 Ų16154 Ų5470%0.731%0.313SS*.SBendtrans-63.9-38.7171.6-67.5177.8-177.5170.20111.1
106E80.1Confident88.7Confident63 Ų6354.9 Ų54.929%0.29432%0.319SS..SBendtrans-120.7-8.2-169.7-63.1178.9-159.700113.6G104 R126 F132G104-E106 VanDerWaalsContact C-N 3.29Å; E106-R126 CarbonylContact O-C 3.46Å; E106-R126 WeakPolarHBondContact O-CA 3.46Å; E106-R126 PolarHBondContact O-N 3.42Å; E106-F132 HydrophobicContact CG-CE2 4.49Å; E106-F132 HydrophobicContact CG-CZ 4.33Å; E106-F132 VanDerWaalsContact OE1-CZ 3.32Å; E106-F132 WeakPolarHBondContact OE1-CZ 3.41Å
107S88.4Confident88.7Confident16 Ų1654.6 Ų54.611%0.11233%0.326CS..EExtended strand (participates in β ladder)trans-149.1156.4179.360.80000112.2G104 L124G104-S107 CarbonylContact C-O 2.96Å; G104-S107 WeakPolarHBondContact CA-O 3.38Å; G104-S107 PolarHBondContact N-O 2.94Å; S107-L124 CarbonylContact C-O 3.57Å; S107-L124 WeakPolarHBondContact CA-O 3.45Å; S107-L124 WeakPolarHBondContact CB-O 3.37Å
108D91.4Very high88.7Confident1 Ų157.8 Ų57.81%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-113.3134.8169.2-66.9-49.7000109Q100 Y110 L124 R126 R129Q100-D108 PolarHBondContact NE2-OD1 2.89Å; D108-Y110 HydrophobicContact CB-CD2 4.27Å; D108-Y110 HydrophobicContact CB-CE2 3.52Å; D108-L124 HydrophobicContact CB-CB 4.43Å; D108-L124 PolarHBondContact N-O 3.38Å; D108-L124 PolarHBondContact O-N 3.35Å; D108-R126 IonicContact OD2-CZ 2.71Å; D108-R126 IonicContact OD2-NE 2.66Å; D108-R126 PolarHBondContact OD2-NE 3.19Å; D108-R126 VanDerWaalsContact OD2-NE 3.14Å; D108-R126 IonicContact OD2-NH2 3.37Å; D108-R129 IonicContact OD1-CZ 3.85Å; D108-R129 IonicContact OD1-NH1 3.59Å; D108-R129 PolarHBondContact OD1-NH1 2.98Å; D108-R129 IonicContact OD1-NH2 2.67Å; D108-R129 PolarHBondContact OD1-NH2 3.25Å; D108-R129 VanDerWaalsContact OD1-NH2 3.13Å; D108-R129 IonicContact OD2-CZ 3.11Å; D108-R129 IonicContact OD2-NH1 3.14Å; D108-R129 IonicContact OD2-NH2 3.22Å; D108-R129 PolarHBondContact OD2-NH2 3.08Å
109I92.7Very high89Confident52 Ų5261.6 Ų61.627%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-111.9126.8179-49.6-176000110.3M101 G102 A121 L122M101-I109 HydrophobicContact CE-CG2 3.43Å; M101-I109 VanDerWaalsContact CE-CG2 3.43Å; M101-I109 PolarHBondContact N-O 3.18Å; G102-I109 PolarHBondContact N-O 2.92Å; G102-I109 PolarHBondContact O-N 3.2Å; I109-A121 HydrophobicContact CG2-CB 4.42Å; I109-L122 WeakPolarHBondContact CA-O 3.29Å
110Y94.6Very high89.3Confident10 Ų1057.1 Ų57.14%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-122.6145.8178.5-65.9-95.1000110.6L4 V97 Q100 D108 L122 L124L4-Y110 HydrophobicContact CB-CE1 3.91Å; L4-Y110 HydrophobicContact CB-CE2 4.19Å; L4-Y110 VanDerWaalsContact CB-CZ 3.5Å; L4-Y110 WeakPolarHBondContact CB-OH 3.49Å; L4-Y110 HydrophobicContact CD2-CD1 4.35Å; L4-Y110 HydrophobicContact CD2-CD2 4.35Å; L4-Y110 HydrophobicContact CD2-CE1 4.08Å; L4-Y110 HydrophobicContact CD2-CE2 4.08Å; L4-Y110 PolarHBondContact N-OH 2.84Å; V97-Y110 HydrophobicContact CG1-CD1 4.37Å; Q100-Y110 HydrophobicContact CB-CD1 3.88Å; Q100-Y110 HydrophobicContact CB-CE1 3.66Å; Q100-Y110 HydrophobicContact CG-CD1 4.18Å; Q100-Y110 HydrophobicContact CG-CE1 3.8Å; Q100-Y110 PolarHBondContact NE2-OH 3.44Å; Q100-Y110 VanDerWaalsContact NE2-OH 3.16Å; D108-Y110 HydrophobicContact CB-CD2 4.27Å; D108-Y110 HydrophobicContact CB-CE2 3.52Å; Y110-L122 PolarHBondContact N-O 2.85Å; Y110-L122 PolarHBondContact O-N 3.35Å; Y110-L124 HydrophobicContact CD2-CD1 4.18Å; Y110-L124 HydrophobicContact CE2-CD1 3.93Å
111I95.1Very high89.6Confident41 Ų4155.1 Ų55.121%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-79.1135.4165.9-64.3161.1000107.8G98 N99 M101G98-I111 WeakPolarHBondContact CA-O 3.27Å; G98-I111 PolarHBondContact N-O 3.13Å; N99-I111 PolarHBondContact O-N 2.97Å; M101-I111 HydrophobicContact CE-CG1 4.16Å; M101-I111 HydrophobicContact CG-CD1 3.66Å; M101-I111 HydrophobicContact CG-CG1 3.51Å; M101-I111 HydrophobicContact SD-CD1 3.73Å; M101-I111 HydrophobicContact SD-CG1 3.46Å; M101-I111 WeakPolarHBondContact SD-CG1 3.2Å
112V95.6Very high90.2Very high1 Ų150.4 Ų50.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-130154.1173.4-60.60000109.5I94 S96 V97 Q119 Y120 L122 V187I94-V112 HydrophobicContact CD1-CB 4.25Å; I94-V112 HydrophobicContact CD1-CG1 4.19Å; I94-V112 HydrophobicContact CD1-CG2 4.04Å; I94-V112 HydrophobicContact CG1-CB 4.22Å; I94-V112 HydrophobicContact CG1-CG2 3.99Å; I94-V112 HydrophobicContact CG2-CB 4.05Å; I94-V112 HydrophobicContact CG2-CG1 4.34Å; S96-V112 CarbonylContact O-C 3.44Å; S96-V112 VanDerWaalsContact O-CA 3.32Å; S96-V112 WeakPolarHBondContact O-CA 3.22Å; V97-V112 HydrophobicContact CB-CG1 4.47Å; V97-V112 HydrophobicContact CG1-CG1 4.33Å; V97-V112 HydrophobicContact CG2-CG1 4.13Å; V112-Q119 CarbonylContact O-C 3.47Å; V112-Q119 WeakPolarHBondContact O-CA 3.46Å; V112-Y120 PolarHBondContact N-O 3.49Å; V112-Y120 PolarHBondContact O-N 3.3Å; V112-L122 HydrophobicContact CB-CB 4.49Å; V112-L122 HydrophobicContact CG1-CB 3.56Å; V112-L122 HydrophobicContact CG1-CD2 3.86Å; V112-L122 HydrophobicContact CG1-CG 4.33Å; V112-L122 HydrophobicContact CG2-CB 4.09Å; V112-V187 HydrophobicContact CG2-CG1 4.43Å
113A95.5Very high90.9Very high18 Ų1849.8 Ų49.815%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-122.9140.2176.900000111.2L95 S96 E118L95-A113 PolarHBondContact N-O 3.4Å; S96-A113 PolarHBondContact N-O 2.88Å; S96-A113 PolarHBondContact O-N 2.8Å; S96-A113 WeakPolarHBondContact OG-CB 3.36Å; A113-E118 CarbonylContact C-O 3.58Å; A113-E118 VanDerWaalsContact CA-O 3.25Å; A113-E118 WeakPolarHBondContact CA-O 3.34Å
114S94.5Very high91.4Very high8 Ų845.2 Ų45.26%0.05625%0.25CC..  trans-76167.7174.578.70000111.5V93 N116 G117 E118V93-S114 WeakPolarHBondContact O-CA 3.43Å; S114-N116 PolarHBondContact O-N 3Å; S114-N116 PolarHBondContact OG-N 3.18Å; S114-G117 PolarHBondContact O-N 3.11Å; S114-E118 PolarHBondContact N-O 2.95Å; S114-E118 PolarHBondContact OG-N 2.79Å
115P92.1Very high92.2Very high65 Ų6543.9 Ų43.942%0.42224%0.235SC..THydrogen-bonded Turntrans-57.4-25.9171.5-23.834.2000113.8E92 L95 G117E92-P115 HydrophobicContact CB-CG 4.34Å; E92-P115 WeakPolarHBondContact O-CD 3.33Å; E92-P115 WeakPolarHBondContact O-CG 3.26Å; L95-P115 HydrophobicContact CB-CG 4.22Å; P115-G117 VanDerWaalsContact C-N 3.26Å; P115-G117 PolarHBondContact O-N 3.47Å
116N91.6Very high92.7Very high140 Ų14036.6 Ų36.675%0.74920%0.203SC*.THydrogen-bonded Turntrans-81.8-3.7178.7-60.5-16.3000112.9S114 E118S114-N116 PolarHBondContact O-N 3Å; S114-N116 PolarHBondContact OG-N 3.18Å; N116-E118 VanDerWaalsContact C-N 3.32Å
117G90.3Very high92.8Very high56 Ų5634.2 Ų34.258%0.57719%0.192SC*.SBendtrans83.24-177.400000114.6S114 P115S114-G117 PolarHBondContact O-N 3.11Å; P115-G117 VanDerWaalsContact C-N 3.26Å; P115-G117 PolarHBondContact O-N 3.47Å
118E93.8Very high91.9Very high104 Ų10434.6 Ų34.649%0.48620%0.199SC..  trans-72142.1172.6-63.4-177.8177.500110.6A113 S114 N116 Y120A113-E118 CarbonylContact C-O 3.58Å; A113-E118 VanDerWaalsContact CA-O 3.25Å; A113-E118 WeakPolarHBondContact CA-O 3.34Å; S114-E118 PolarHBondContact N-O 2.95Å; S114-E118 PolarHBondContact OG-N 2.79Å; N116-E118 VanDerWaalsContact C-N 3.32Å; E118-Y120 HydrophobicContact CB-CE1 4.37Å; E118-Y120 PolarHBondContact OE2-OH 3.49Å
119Q95.7Very high90.9Very high120 Ų12037.8 Ų37.856%0.56121%0.211SC*.EExtended strand (participates in β ladder)trans-99.7137.2-178.9-63.7-177.5-6.400111V112 L190V112-Q119 CarbonylContact O-C 3.47Å; V112-Q119 WeakPolarHBondContact O-CA 3.46Å; Q119-L190 HydrophobicContact CB-CD2 3.89Å
120Y96Very high88.9Confident41 Ų4138.4 Ų38.416%0.16122%0.217CC..EExtended strand (participates in β ladder)trans-130.8162.5177.2-55.8-53.2000110.6V112 E118 V179 V187 M188V112-Y120 PolarHBondContact N-O 3.49Å; V112-Y120 PolarHBondContact O-N 3.3Å; E118-Y120 HydrophobicContact CB-CE1 4.37Å; E118-Y120 PolarHBondContact OE2-OH 3.49Å; Y120-V179 HydrophobicContact CD1-CG2 4.16Å; Y120-V179 HydrophobicContact CE1-CG2 4.21Å; Y120-V187 HydrophobicContact CD2-CG1 4.23Å; Y120-V187 HydrophobicContact CG-CG1 4.22Å; Y120-M188 WeakPolarHBondContact CB-O 3.42Å
121A95.7Very high86.5Confident8 Ų843.3 Ų43.37%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-95.9126.4170.200000110.1M101 I109 V187 M188 L190M101-A121 HydrophobicContact CE-CB 4.2Å; I109-A121 HydrophobicContact CG2-CB 4.42Å; A121-V187 WeakPolarHBondContact O-CA 3.36Å; A121-M188 HydrophobicContact CB-CG 3.97Å; A121-M188 PolarHBondContact N-O 3.1Å; A121-M188 PolarHBondContact O-N 2.95Å; A121-L190 HydrophobicContact CB-CD1 4.18Å
122L95.9Very high84.1Confident0 Ų045 Ų450%026%0.259CS..EExtended strand (participates in β ladder)trans-102.6114.2171.3173.869.8000109.3L85 F88 I94 I109 Y110 V112 L124 A185 V187L85-L122 HydrophobicContact CD2-CD2 3.62Å; F88-L122 HydrophobicContact CD2-CD1 4.43Å; F88-L122 HydrophobicContact CE2-CD1 3.94Å; I94-L122 HydrophobicContact CD1-CD1 4.32Å; I94-L122 HydrophobicContact CD1-CD2 4.47Å; I109-L122 WeakPolarHBondContact CA-O 3.29Å; Y110-L122 PolarHBondContact N-O 2.85Å; Y110-L122 PolarHBondContact O-N 3.35Å; V112-L122 HydrophobicContact CB-CB 4.49Å; V112-L122 HydrophobicContact CG1-CB 3.56Å; V112-L122 HydrophobicContact CG1-CD2 3.86Å; V112-L122 HydrophobicContact CG1-CG 4.33Å; V112-L122 HydrophobicContact CG2-CB 4.09Å; L122-L124 HydrophobicContact CD1-CD2 4.2Å; L122-L124 HydrophobicContact CD2-CD2 4.23Å; L122-L124 HydrophobicContact CD2-CG 4.43Å; L122-L124 HydrophobicContact CG-CD2 4.17Å; L122-L124 HydrophobicContact CG-CG 4.35Å; L122-A185 HydrophobicContact CD1-CB 4.1Å; L122-V187 HydrophobicContact CD1-CG2 3.83Å
123K94.9Very high81.5Confident12 Ų1255.1 Ų55.15%0.05230%0.297CS..EExtended strand (participates in β ladder)trans-99.5119.6174.2-174.7174174.2-176.80110E161 A185 V186 M188 D246K123-E161 WeakPolarHBondContact CD-OE2 3.32Å; K123-E161 VanDerWaalsContact CE-OE2 3.26Å; K123-E161 WeakPolarHBondContact CE-OE2 3.24Å; K123-E161 IonicContact NZ-OE1 3.8Å; K123-E161 PolarHBondContact NZ-OE1 2.91Å; K123-E161 IonicContact NZ-OE2 2.71Å; K123-E161 PolarHBondContact NZ-OE2 2.91Å; K123-A185 WeakPolarHBondContact O-CA 3.32Å; K123-V186 PolarHBondContact N-O 2.84Å; K123-V186 PolarHBondContact O-N 3.32Å; K123-M188 HydrophobicContact CB-CE 3.62Å; K123-M188 HydrophobicContact CD-CE 3.92Å; K123-M188 HydrophobicContact CG-CE 4.43Å; K123-D246 IonicContact NZ-OD1 2.64Å; K123-D246 PolarHBondContact NZ-OD1 2.93Å
124L93.9Very high78.8Confident1 Ų160 Ų601%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-104.5118.8174.8-62.2-178.7000110L4 S107 D108 Y110 L122 A185L4-L124 HydrophobicContact CD2-CD1 4.05Å; S107-L124 CarbonylContact C-O 3.57Å; S107-L124 WeakPolarHBondContact CA-O 3.45Å; S107-L124 WeakPolarHBondContact CB-O 3.37Å; D108-L124 HydrophobicContact CB-CB 4.43Å; D108-L124 PolarHBondContact N-O 3.38Å; D108-L124 PolarHBondContact O-N 3.35Å; Y110-L124 HydrophobicContact CD2-CD1 4.18Å; Y110-L124 HydrophobicContact CE2-CD1 3.93Å; L122-L124 HydrophobicContact CD1-CD2 4.2Å; L122-L124 HydrophobicContact CD2-CD2 4.23Å; L122-L124 HydrophobicContact CD2-CG 4.43Å; L122-L124 HydrophobicContact CG-CD2 4.17Å; L122-L124 HydrophobicContact CG-CG 4.35Å; L124-A185 HydrophobicContact CD2-CB 3.43Å; L124-A185 VanDerWaalsContact CD2-CB 3.43Å
125H91.8Very high76.4Confident4 Ų462 Ų622%0.01933%0.33CS..EExtended strand (participates in β ladder)trans-76.2134.6178.3-67.674.2000112L127 S157 A158 E161 H184H125-L127 HydrophobicContact CB-CD1 4.24Å; H125-S157 PolarHBondContact CD2-OG 3.43Å; H125-A158 VanDerWaalsContact CE1-CA 3.49Å; H125-A158 WeakPolarHBondContact CE1-CA 3.34Å; H125-A158 WeakPolarHBondContact ND1-CB 3.38Å; H125-E161 IonicContact CE1-OE2 2.55Å; H125-E161 PolarHBondContact CE1-OE2 3Å; H125-E161 IonicContact NE2-OE2 2.8Å; H125-E161 PolarHBondContact NE2-OE2 3.5Å; H125-H184 HydrophobicContact CB-CB 4.21Å; H125-H184 WeakPolarHBondContact CB-O 3.32Å; H125-H184 PolarHBondContact N-O 2.84Å; H125-H184 PolarHBondContact ND1-O 2.87Å; H125-H184 PolarHBondContact O-CD2 3.35Å; H125-H184 VanDerWaalsContact O-CD2 3.31Å
126R87.5Confident74Confident7 Ų766.2 Ų66.23%0.02634%0.342CS..  trans-134.157.5-172.2-61.8-60-163.9-162.12.8110.9D81 E106 D108 G128 R129D81-R126 VanDerWaalsContact CG-NH1 3.33Å; D81-R126 IonicContact OD1-CZ 2.76Å; D81-R126 IonicContact OD1-NH1 3.97Å; D81-R126 PolarHBondContact OD1-NH1 2.75Å; D81-R126 IonicContact OD1-NH2 3.82Å; D81-R126 PolarHBondContact OD1-NH2 2.92Å; D81-R126 VanDerWaalsContact OD1-NH2 3.11Å; D81-R126 IonicContact OD2-CZ 3.16Å; D81-R126 IonicContact OD2-NH1 3.2Å; D81-R126 PolarHBondContact OD2-NH1 3.01Å; D81-R126 IonicContact OD2-NH2 3.5Å; D81-R126 PolarHBondContact OD2-NH2 3.38Å; E106-R126 CarbonylContact O-C 3.46Å; E106-R126 WeakPolarHBondContact O-CA 3.46Å; E106-R126 PolarHBondContact O-N 3.42Å; D108-R126 IonicContact OD2-CZ 2.71Å; D108-R126 IonicContact OD2-NE 2.66Å; D108-R126 PolarHBondContact OD2-NE 3.19Å; D108-R126 VanDerWaalsContact OD2-NE 3.14Å; D108-R126 IonicContact OD2-NH2 3.37Å; R126-G128 PolarHBondContact O-N 3.07Å; R126-R129 PolarHBondContact O-N 2.84Å
127L82.1Confident71.5Confident13 Ų1364.8 Ų64.87%0.06833%0.334CS..THydrogen-bonded Turntrans-63.5138.7177.1-82.265000110.4Y77 H125 W150 L153 S154 L316Y77-L127 PolarHBondContact OH-O 3.46Å; H125-L127 HydrophobicContact CB-CD1 4.24Å; L127-W150 HydrophobicContact CB-CE3 4.03Å; L127-W150 HydrophobicContact CB-CZ3 4.46Å; L127-L153 HydrophobicContact CD2-CB 3.79Å; L127-S154 PolarHBondContact N-OG 3.44Å; L127-L316 HydrophobicContact CD2-CD2 3.92Å
128G70Confident69.3Low25 Ų2565.7 Ų65.726%0.25832%0.322SS..THydrogen-bonded Turntrans82.511.8179.300000115.8R126R126-G128 PolarHBondContact O-N 3.07Å
129R68.9Low67.1Low68 Ų6864.2 Ų64.226%0.25731%0.312SS..SBendtrans-68.2-40.8172.6-177.1-177.4-110.1166.21112.3M1 G104 D108 R126M1-R129 HydrophobicContact SD-CG 4.41Å; G104-R129 PolarHBondContact O-NH1 3.36Å; D108-R129 IonicContact OD1-CZ 3.85Å; D108-R129 IonicContact OD1-NH1 3.59Å; D108-R129 PolarHBondContact OD1-NH1 2.98Å; D108-R129 IonicContact OD1-NH2 2.67Å; D108-R129 PolarHBondContact OD1-NH2 3.25Å; D108-R129 VanDerWaalsContact OD1-NH2 3.13Å; D108-R129 IonicContact OD2-CZ 3.11Å; D108-R129 IonicContact OD2-NH1 3.14Å; D108-R129 IonicContact OD2-NH2 3.22Å; D108-R129 PolarHBondContact OD2-NH2 3.08Å; R126-R129 PolarHBondContact O-N 2.84Å
130T51.5Low64.3Low64 Ų6464.6 Ų64.639%0.39332%0.318SS..SBendtrans-99.9133.9167.647.30000108.1F132T130-F132 VanDerWaalsContact C-N 3.35Å; T130-F132 WeakPolarHBondContact O-CD2 3.37Å; T130-F132 PolarHBondContact O-N 3.35Å
131S43.3Very low61.4Low114 Ų11471.1 Ų71.180%0.79734%0.344SS*.  trans-6295.1178.551.20000109.8R133S131-R133 PolarHBondContact O-N 3.3Å
132F44.3Very low58.6Low75 Ų7574.6 Ų74.633%0.32936%0.359SS..  trans-66.189157.6-69.8-83.5000106.4E106 T130 N134 L135E106-F132 HydrophobicContact CG-CE2 4.49Å; E106-F132 HydrophobicContact CG-CZ 4.33Å; E106-F132 VanDerWaalsContact OE1-CZ 3.32Å; E106-F132 WeakPolarHBondContact OE1-CZ 3.41Å; T130-F132 VanDerWaalsContact C-N 3.35Å; T130-F132 WeakPolarHBondContact O-CD2 3.37Å; T130-F132 PolarHBondContact O-N 3.35Å; F132-N134 PolarHBondContact O-N 2.89Å; F132-N134 VanDerWaalsContact O-N 3.14Å; F132-L135 HydrophobicContact CB-CB 3.77Å; F132-L135 HydrophobicContact CB-CD1 4.08Å; F132-L135 HydrophobicContact CB-CG 4.48Å; F132-L135 HydrophobicContact CD1-CD1 4.24Å; F132-L135 HydrophobicContact CG-CD1 4.14Å; F132-L135 PolarHBondContact O-N 2.89Å
133R41.3Very low56Low215 Ų21582.7 Ų82.781%0.81139%0.394SS*.THydrogen-bonded Turntrans-56.3-25.2173-140.9171.1178.9176.3-3.3110.1S131S131-R133 PolarHBondContact O-N 3.3Å
134N39.6Very low53.4Low121 Ų12190 Ų9065%0.64743%0.428SS*.THydrogen-bonded Turntrans-85.6-32.6-178.4-63.17.1000114.6F132 K136 N137 K138F132-N134 PolarHBondContact O-N 2.89Å; F132-N134 VanDerWaalsContact O-N 3.14Å; N134-K136 PolarHBondContact O-N 3.44Å; N134-N137 PolarHBondContact O-N 3.08Å; N134-N137 VanDerWaalsContact O-N 3.13Å; N134-K138 PolarHBondContact O-N 3.32Å
135L44.9Very low51.1Low49 Ų4997.7 Ų97.726%0.25746%0.457SS..Hα-helixtrans-66.4-21.5174.5-112.384.5000112.1F132 R139 W150F132-L135 HydrophobicContact CB-CB 3.77Å; F132-L135 HydrophobicContact CB-CD1 4.08Å; F132-L135 HydrophobicContact CB-CG 4.48Å; F132-L135 HydrophobicContact CD1-CD1 4.24Å; F132-L135 HydrophobicContact CG-CD1 4.14Å; F132-L135 PolarHBondContact O-N 2.89Å; L135-R139 WeakPolarHBondContact O-CD 3.09Å; L135-R139 VanDerWaalsContact O-CG 3.23Å; L135-R139 WeakPolarHBondContact O-CG 3.31Å; L135-R139 PolarHBondContact O-N 2.97Å; L135-W150 HydrophobicContact CB-CH2 4.26Å; L135-W150 HydrophobicContact CD2-CH2 3.87Å; L135-W150 HydrophobicContact CD2-CZ3 3.75Å
136K41.1Very low48.8Very low153 Ų153106.5 Ų106.567%0.66550%0.495SS*.Hα-helixtrans-73.2-30.4176.5-143-178.5-177.5-170.20111.9N134 R139N134-K136 PolarHBondContact O-N 3.44Å; K136-R139 WeakPolarHBondContact O-CB 3.39Å
137N39.1Very low47.1Very low110 Ų110112 Ų11259%0.58853%0.525SS*.Hα-helixtrans-79-40.2178.6-68.90.5000111.5N134 R139 D140N134-N137 PolarHBondContact O-N 3.08Å; N134-N137 VanDerWaalsContact O-N 3.13Å; N137-R139 PolarHBondContact O-N 3.19Å; N137-D140 PolarHBondContact O-N 3.29Å
138K44.2Very low46Very low75 Ų75113.3 Ų113.333%0.32653%0.531SS..Hα-helixtrans-64.8-17.9171.6-67.5-168179.3-164.70113.6N134 D323N134-K138 PolarHBondContact O-N 3.32Å; K138-D323 VanDerWaalsContact CE-OD1 3.28Å; K138-D323 WeakPolarHBondContact CE-OD1 3.24Å; K138-D323 IonicContact NZ-OD1 3.13Å; K138-D323 PolarHBondContact NZ-OD1 2.77Å; K138-D323 IonicContact NZ-OD2 2.87Å; K138-D323 PolarHBondContact NZ-OD2 3.5Å
139R47.1Very low46.2Very low73 Ų73114.6 Ų114.628%0.27554%0.536SS..THydrogen-bonded Turntrans-76.8-20.2177.9-86.8173.9179-165.10.9114.5L135 K136 N137 Y141L135-R139 WeakPolarHBondContact O-CD 3.09Å; L135-R139 VanDerWaalsContact O-CG 3.23Å; L135-R139 WeakPolarHBondContact O-CG 3.31Å; L135-R139 PolarHBondContact O-N 2.97Å; K136-R139 WeakPolarHBondContact O-CB 3.39Å; N137-R139 PolarHBondContact O-N 3.19Å; R139-Y141 PolarHBondContact O-N 3.36Å
140D37.5Very low46.8Very low128 Ų128114.9 Ų114.968%0.68454%0.537SS*.THydrogen-bonded Turntrans-76.3-10.7179.5-85.6-19.4000113N137N137-D140 PolarHBondContact O-N 3.29Å
141Y33.8Very low48.4Very low178 Ų178112.4 Ų112.470%0.69852%0.522SS*.SBendtrans-83.2-28.8-179.9-79.7-83000114.4R139 K143R139-Y141 PolarHBondContact O-N 3.36Å; Y141-K143 PolarHBondContact O-N 3.37Å; Y141-K143 VanDerWaalsContact O-N 3.08Å
142H37.6Very low50.4Low81 Ų81109.2 Ų109.238%0.37549%0.492SS..  trans-88.670.4174.6-66.9-65.2000111.9H144 R145H142-H144 PolarHBondContact O-N 3.21Å; H142-R145 PolarHBondContact O-N 2.7Å
143K42.4Very low52.2Low170 Ų170105.8 Ų105.874%0.73948%0.478SS*.THydrogen-bonded Turntrans-59.1-10.5175.8-80.5178.1179168.90114.8Y141Y141-K143 PolarHBondContact O-N 3.37Å; Y141-K143 VanDerWaalsContact O-N 3.08Å
144H39.2Very low54.5Low167 Ų16795.6 Ų95.677%0.77344%0.439SS*.THydrogen-bonded Turntrans-91.6-15.2-177.2-62.595.7000115.3H142H142-H144 PolarHBondContact O-N 3.21Å
145R46.3Very low56.8Low162 Ų16293.2 Ų93.261%0.61142%0.421SS*.SBendtrans-136.191.2173.4-66.9-164.5-172.8-168.65.4110.7H142 N147H142-R145 PolarHBondContact O-N 2.7Å; R145-N147 PolarHBondContact O-N 2.82Å; R145-N147 VanDerWaalsContact O-N 3.08Å
146K44Very low58.7Low189 Ų18991 Ų9182%0.82241%0.409SS*.  trans-64.1110.7177.6-68.4-179.7178.7177.20110
147N50Low60.9Low121 Ų12183.8 Ų83.865%0.64738%0.378SS*.  trans75.780.4163.9-51.7-21.5000117.3R145 S149R145-N147 PolarHBondContact O-N 2.82Å; R145-N147 VanDerWaalsContact O-N 3.08Å; N147-S149 PolarHBondContact O-N 2.87Å
148M60.3Low63.4Low42 Ų4278.5 Ų78.521%0.20735%0.35CS..  trans-65.7121.5164.3-158.773.390.300110.7Y152 L153 N312M148-Y152 HydrophobicContact CE-CD1 3.71Å; M148-Y152 HydrophobicContact CE-CE1 3.32Å; M148-Y152 HydrophobicContact CG-CD1 3.36Å; M148-Y152 HydrophobicContact CG-CE1 4.03Å; M148-Y152 HydrophobicContact CG-CG 4.11Å; M148-Y152 HydrophobicContact SD-CD1 3.12Å; M148-Y152 WeakPolarHBondContact SD-CD1 3.15Å; M148-Y152 HydrophobicContact SD-CE1 3.34Å; M148-Y152 WeakPolarHBondContact SD-CE1 3.46Å; M148-Y152 HydrophobicContact SD-CG 3.77Å; M148-L153 HydrophobicContact CG-CD2 4.06Å; M148-L153 HydrophobicContact CG-CG 4.05Å; M148-N312 WeakPolarHBondContact CE-OD1 3.5Å
149S73.4Confident65.5Low51 Ų5176.3 Ų76.336%0.35734%0.341SS..  trans-62.5139177177.90000110.7N147 L151 Y152 L153N147-S149 PolarHBondContact O-N 2.87Å; S149-L151 PolarHBondContact O-N 3.01Å; S149-L151 VanDerWaalsContact O-N 3.13Å; S149-L151 PolarHBondContact OG-N 3.08Å; S149-Y152 WeakPolarHBondContact O-CA 3.3Å; S149-Y152 WeakPolarHBondContact O-CB 3.29Å; S149-Y152 PolarHBondContact O-N 3.12Å; S149-L153 PolarHBondContact O-N 2.92Å; S149-L153 VanDerWaalsContact O-N 3.13Å
150W82.1Confident67.4Low74 Ų7473.2 Ų73.228%0.2833%0.33SS..Hα-helixtrans-57.5-26.6174-67.1113.2000113.3Y77 L127 L135 L153 S154Y77-W150 WeakPolarHBondContact OH-CB 3.15Å; L127-W150 HydrophobicContact CB-CE3 4.03Å; L127-W150 HydrophobicContact CB-CZ3 4.46Å; L135-W150 HydrophobicContact CB-CH2 4.26Å; L135-W150 HydrophobicContact CD2-CH2 3.87Å; L135-W150 HydrophobicContact CD2-CZ3 3.75Å; W150-L153 HydrophobicContact CE3-CD1 3.84Å; W150-L153 HydrophobicContact CZ3-CD1 4Å; W150-S154 WeakPolarHBondContact O-CB 3.39Å; W150-S154 PolarHBondContact O-N 2.76Å; W150-S154 PolarHBondContact O-OG 3.04Å
151L85.6Confident70Confident13 Ų1367.2 Ų67.27%0.06830%0.298CS..Hα-helixtrans-64.7-40.9172.7-63.1176.4000111.6M27 L75 Y77 Y80 S149 S154 R155M27-L151 HydrophobicContact CE-CD1 4.04Å; L75-L151 HydrophobicContact CB-CD1 4.17Å; L75-L151 HydrophobicContact CD2-CD1 4.45Å; Y77-L151 HydrophobicContact CD1-CD2 3.45Å; Y77-L151 VanDerWaalsContact CD1-CD2 3.45Å; Y77-L151 HydrophobicContact CD2-CD2 4.14Å; Y77-L151 HydrophobicContact CE1-CD2 3.53Å; Y77-L151 HydrophobicContact CE2-CD2 4.22Å; Y77-L151 HydrophobicContact CG-CD2 3.82Å; Y80-L151 HydrophobicContact CD1-CB 4.24Å; Y80-L151 HydrophobicContact CD1-CD2 3.74Å; Y80-L151 HydrophobicContact CD1-CG 4.47Å; Y80-L151 HydrophobicContact CE1-CB 4.21Å; Y80-L151 HydrophobicContact CE1-CD2 4.49Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å; S149-L151 PolarHBondContact O-N 3.01Å; S149-L151 VanDerWaalsContact O-N 3.13Å; S149-L151 PolarHBondContact OG-N 3.08Å; L151-S154 PolarHBondContact O-N 2.6Å; L151-R155 PolarHBondContact O-N 3.17Å
152Y84Confident72.8Confident46 Ų4659.7 Ų59.718%0.1827%0.269CS..Hα-helixtrans-68.5-43.5177.9180-90.2000111.4M148 S149 S154 R155 L156M148-Y152 HydrophobicContact CE-CD1 3.71Å; M148-Y152 HydrophobicContact CE-CE1 3.32Å; M148-Y152 HydrophobicContact CG-CD1 3.36Å; M148-Y152 HydrophobicContact CG-CE1 4.03Å; M148-Y152 HydrophobicContact CG-CG 4.11Å; M148-Y152 HydrophobicContact SD-CD1 3.12Å; M148-Y152 WeakPolarHBondContact SD-CD1 3.15Å; M148-Y152 HydrophobicContact SD-CE1 3.34Å; M148-Y152 WeakPolarHBondContact SD-CE1 3.46Å; M148-Y152 HydrophobicContact SD-CG 3.77Å; S149-Y152 WeakPolarHBondContact O-CA 3.3Å; S149-Y152 WeakPolarHBondContact O-CB 3.29Å; S149-Y152 PolarHBondContact O-N 3.12Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 3.38Å; Y152-R155 WeakPolarHBondContact O-CB 3.17Å; Y152-R155 PolarHBondContact O-N 2.92Å; Y152-R155 VanDerWaalsContact O-N 3.11Å; Y152-L156 HydrophobicContact CD1-CD1 3.96Å; Y152-L156 HydrophobicContact CD1-CG 4.12Å; Y152-L156 HydrophobicContact CE1-CD1 3.36Å; Y152-L156 HydrophobicContact CE1-CD2 4.22Å; Y152-L156 HydrophobicContact CE1-CG 3.72Å; Y152-L156 PolarHBondContact O-N 3.14Å
153L83.3Confident75.3Confident4 Ų456.2 Ų56.22%0.02125%0.254CS..Hα-helixtrans-61.3-39.3174.3-67.4173.6000111.8L127 M148 S149 W150 R155 L156 S157 L315L127-L153 HydrophobicContact CD2-CB 3.79Å; M148-L153 HydrophobicContact CG-CD2 4.06Å; M148-L153 HydrophobicContact CG-CG 4.05Å; S149-L153 PolarHBondContact O-N 2.92Å; S149-L153 VanDerWaalsContact O-N 3.13Å; W150-L153 HydrophobicContact CE3-CD1 3.84Å; W150-L153 HydrophobicContact CZ3-CD1 4Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 2.64Å; L153-S157 PolarHBondContact O-N 3.08Å; L153-L315 HydrophobicContact CD2-CD1 4.49Å
154S88.8Confident77.7Confident0 Ų048.9 Ų48.90%022%0.222CC..Hα-helixtrans-64.3-34.8175.3-560000112.3L127 W150 L151 Y152 A158L127-S154 PolarHBondContact N-OG 3.44Å; W150-S154 WeakPolarHBondContact O-CB 3.39Å; W150-S154 PolarHBondContact O-N 2.76Å; W150-S154 PolarHBondContact O-OG 3.04Å; L151-S154 PolarHBondContact O-N 2.6Å; Y152-S154 VanDerWaalsContact C-N 3.28Å; Y152-S154 PolarHBondContact O-N 3.38Å; S154-A158 PolarHBondContact O-N 3.34Å; S154-A158 VanDerWaalsContact O-N 3.14Å
155R88.1Confident80.3Confident71 Ų7141 Ų4127%0.26819%0.185SC..Hα-helixtrans-64.2-48.7171.9176.5-176.6175.9-154.7-1.1111.7L151 Y152 L153 S157 A158 M159 R183L151-R155 PolarHBondContact O-N 3.17Å; Y152-R155 WeakPolarHBondContact O-CB 3.17Å; Y152-R155 PolarHBondContact O-N 2.92Å; Y152-R155 VanDerWaalsContact O-N 3.11Å; L153-R155 VanDerWaalsContact C-N 3.29Å; L153-R155 PolarHBondContact O-N 3.22Å; R155-S157 VanDerWaalsContact C-N 3.32Å; R155-S157 PolarHBondContact O-N 3.42Å; R155-A158 PolarHBondContact O-N 2.89Å; R155-M159 HydrophobicContact CG-CG 4.48Å; R155-M159 HydrophobicContact CG-SD 3.93Å; R155-M159 WeakPolarHBondContact O-CG 3.47Å; R155-M159 PolarHBondContact O-N 3.45Å; R155-R183 WeakPolarHBondContact CA-O 3.34Å
156L84.6Confident82.5Confident2 Ų238.4 Ų38.41%0.0118%0.178CC..Hα-helixtrans-59.6-43.1178.1-70.1-175.5000111.8Y152 L153 A158 M159 K160 D308 N312 L316Y152-L156 HydrophobicContact CD1-CD1 3.96Å; Y152-L156 HydrophobicContact CD1-CG 4.12Å; Y152-L156 HydrophobicContact CE1-CD1 3.36Å; Y152-L156 HydrophobicContact CE1-CD2 4.22Å; Y152-L156 HydrophobicContact CE1-CG 3.72Å; Y152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 2.64Å; L156-A158 PolarHBondContact O-N 3.03Å; L156-M159 PolarHBondContact O-N 3.48Å; L156-K160 WeakPolarHBondContact O-CB 3.36Å; L156-K160 PolarHBondContact O-N 2.84Å; L156-D308 HydrophobicContact CD2-CB 4.34Å; L156-N312 HydrophobicContact CD1-CB 3.85Å; L156-L316 HydrophobicContact CB-CD1 4Å
157S87.7Confident84.7Confident2 Ų229.9 Ų29.91%0.01414%0.143CC..Hα-helixtrans-58.9-46.2176.5-171.60000112H125 L153 R155 K160 E161 P248H125-S157 PolarHBondContact CD2-OG 3.43Å; L153-S157 PolarHBondContact O-N 3.08Å; R155-S157 VanDerWaalsContact C-N 3.32Å; R155-S157 PolarHBondContact O-N 3.42Å; S157-K160 PolarHBondContact O-N 3.4Å; S157-E161 WeakPolarHBondContact O-CB 3.2Å; S157-E161 PolarHBondContact O-N 3.28Å; S157-P248 WeakPolarHBondContact OG-CB 3.14Å
158A90.9Very high86.8Confident0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-65.5-40.6179.300000112.5H125 S154 R155 L156 E161 F162 R183 H184 V186H125-A158 VanDerWaalsContact CE1-CA 3.49Å; H125-A158 WeakPolarHBondContact CE1-CA 3.34Å; H125-A158 WeakPolarHBondContact ND1-CB 3.38Å; S154-A158 PolarHBondContact O-N 3.34Å; S154-A158 VanDerWaalsContact O-N 3.14Å; R155-A158 PolarHBondContact O-N 2.89Å; L156-A158 PolarHBondContact O-N 3.03Å; A158-E161 PolarHBondContact O-N 3.18Å; A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 2.9Å; A158-R183 WeakPolarHBondContact CB-O 3.39Å; A158-H184 VanDerWaalsContact CB-C 3.45Å; A158-V186 HydrophobicContact CB-CG2 3.89Å; A158-V186 WeakPolarHBondContact O-CG2 3.15Å
159M88.8Confident88.4Confident28 Ų2826.5 Ų26.514%0.13812%0.12CC..Hα-helixtrans-62.2-45.9175-72.8176.759.100111.3R155 L156 F162 A163 Y181 F305R155-M159 HydrophobicContact CG-CG 4.48Å; R155-M159 HydrophobicContact CG-SD 3.93Å; R155-M159 WeakPolarHBondContact O-CG 3.47Å; R155-M159 PolarHBondContact O-N 3.45Å; L156-M159 PolarHBondContact O-N 3.48Å; M159-F162 PolarHBondContact O-N 3.48Å; M159-A163 WeakPolarHBondContact O-CB 3.41Å; M159-A163 PolarHBondContact O-N 3.4Å; M159-Y181 HydrophobicContact CG-CD2 4.18Å; M159-Y181 HydrophobicContact CG-CE2 3.85Å; M159-F305 HydrophobicContact CB-CD1 4.45Å; M159-F305 HydrophobicContact CE-CD1 4.04Å
160K87.3Confident89.3Confident8 Ų829.4 Ų29.44%0.03513%0.131CC..Hα-helixtrans-61.2-48.3177.4-172.3176.5175.2-1660111L156 S157 F162 A163 Y164 P248 M250 L309L156-K160 WeakPolarHBondContact O-CB 3.36Å; L156-K160 PolarHBondContact O-N 2.84Å; S157-K160 PolarHBondContact O-N 3.4Å; K160-F162 PolarHBondContact O-N 2.97Å; K160-A163 PolarHBondContact O-N 3.36Å; K160-Y164 HydrophobicContact CD-CE2 4.11Å; K160-Y164 VanDerWaalsContact CE-CE2 3.44Å; K160-Y164 HydrophobicContact CG-CD2 3.78Å; K160-Y164 HydrophobicContact CG-CE2 3.49Å; K160-Y164 VanDerWaalsContact CG-CE2 3.49Å; K160-Y164 WeakPolarHBondContact O-CD2 3.25Å; K160-Y164 PolarHBondContact O-N 2.96Å; K160-Y164 VanDerWaalsContact O-N 3.08Å; K160-P248 VanDerWaalsContact CD-O 3.25Å; K160-P248 WeakPolarHBondContact CD-O 3.31Å; K160-P248 WeakPolarHBondContact CE-O 3.28Å; K160-P248 PolarHBondContact NZ-O 3.41Å; K160-M250 WeakPolarHBondContact CE-O 3.38Å; K160-M250 PolarHBondContact NZ-O 3.29Å; K160-L309 HydrophobicContact CB-CD1 4.26Å; K160-L309 HydrophobicContact CD-CD1 4.49Å
161E91.4Very high89.7Confident2 Ų230.8 Ų30.81%0.00914%0.137CC..Hα-helixtrans-59.8-47.4178.4-178.8175.8-162.700112.2K123 H125 S157 A158 A163 Y164 M165 F247K123-E161 WeakPolarHBondContact CD-OE2 3.32Å; K123-E161 VanDerWaalsContact CE-OE2 3.26Å; K123-E161 WeakPolarHBondContact CE-OE2 3.24Å; K123-E161 IonicContact NZ-OE1 3.8Å; K123-E161 PolarHBondContact NZ-OE1 2.91Å; K123-E161 IonicContact NZ-OE2 2.71Å; K123-E161 PolarHBondContact NZ-OE2 2.91Å; H125-E161 IonicContact CE1-OE2 2.55Å; H125-E161 PolarHBondContact CE1-OE2 3Å; H125-E161 IonicContact NE2-OE2 2.8Å; H125-E161 PolarHBondContact NE2-OE2 3.5Å; S157-E161 WeakPolarHBondContact O-CB 3.2Å; S157-E161 PolarHBondContact O-N 3.28Å; A158-E161 PolarHBondContact O-N 3.18Å; E161-A163 VanDerWaalsContact C-N 3.34Å; E161-A163 PolarHBondContact O-N 3.27Å; E161-Y164 PolarHBondContact O-N 3.34Å; E161-M165 HydrophobicContact CG-CE 4.06Å; E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.01Å; E161-M165 PolarHBondContact O-N 3.01Å; E161-F247 HydrophobicContact CG-CB 4.35Å; E161-F247 HydrophobicContact CG-CD2 4.3Å
162F93.1Very high90Very high21 Ų2132.7 Ų32.79%0.09216%0.159CC..Hα-helixtrans-63-41.1179.4-177.5-94.3000112.1A158 M159 K160 M165 K166 P178 Y181 V186A158-F162 WeakPolarHBondContact O-CB 3.46Å; A158-F162 PolarHBondContact O-N 2.9Å; M159-F162 PolarHBondContact O-N 3.48Å; K160-F162 PolarHBondContact O-N 2.97Å; F162-M165 PolarHBondContact O-N 3.3Å; F162-K166 HydrophobicContact CE1-CD 4.36Å; F162-K166 WeakPolarHBondContact O-CB 3.4Å; F162-K166 PolarHBondContact O-N 3.19Å; F162-P178 HydrophobicContact CD2-CB 3.98Å; F162-P178 HydrophobicContact CE2-CB 3.62Å; F162-P178 HydrophobicContact CZ-CB 4.25Å; F162-Y181 HydrophobicContact CB-CD1 4.33Å; F162-Y181 HydrophobicContact CB-CG 4.12Å; F162-Y181 AromaticContact CD1-CD1 3.26Å; F162-Y181 HydrophobicContact CD1-CD1 3.26Å; F162-Y181 AromaticContact CD1-CE1 3.73Å; F162-Y181 HydrophobicContact CD1-CE1 3.73Å; F162-Y181 AromaticContact CD1-CG 3.93Å; F162-Y181 HydrophobicContact CD1-CG 3.93Å; F162-Y181 HydrophobicContact CD2-CD1 4.05Å; F162-Y181 HydrophobicContact CD2-CG 4.26Å; F162-Y181 AromaticContact CE1-CD1 3.38Å; F162-Y181 HydrophobicContact CE1-CD1 3.38Å; F162-Y181 AromaticContact CE1-CE1 3.76Å; F162-Y181 HydrophobicContact CE1-CE1 3.76Å; F162-Y181 HydrophobicContact CE1-CG 4.4Å; F162-Y181 HydrophobicContact CE2-CD1 4.12Å; F162-Y181 AromaticContact CG-CD1 3.62Å; F162-Y181 HydrophobicContact CG-CD1 3.62Å; F162-Y181 HydrophobicContact CG-CE1 4.47Å; F162-Y181 AromaticContact CG-CG 3.84Å; F162-Y181 HydrophobicContact CG-CG 3.84Å; F162-Y181 AromaticContact CZ-CD1 3.81Å; F162-Y181 HydrophobicContact CZ-CD1 3.81Å; F162-V186 HydrophobicContact CB-CG1 4.47Å; F162-V186 HydrophobicContact CB-CG2 4.44Å; F162-V186 HydrophobicContact CD2-CG1 4.07Å
163A90.8Very high90.5Very high7 Ų730.9 Ų30.96%0.05815%0.153CC..Hα-helixtrans-62.6-45.7179.200000111.9M159 K160 E161 A167 V300 F305M159-A163 WeakPolarHBondContact O-CB 3.41Å; M159-A163 PolarHBondContact O-N 3.4Å; K160-A163 PolarHBondContact O-N 3.36Å; E161-A163 VanDerWaalsContact C-N 3.34Å; E161-A163 PolarHBondContact O-N 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 2.86Å; A163-V300 HydrophobicContact CB-CG1 3.9Å; A163-F305 HydrophobicContact CB-CD1 4.24Å; A163-F305 HydrophobicContact CB-CD2 4.05Å; A163-F305 HydrophobicContact CB-CE1 4Å; A163-F305 HydrophobicContact CB-CE2 3.8Å; A163-F305 HydrophobicContact CB-CG 4.27Å; A163-F305 HydrophobicContact CB-CZ 3.78Å
164Y91.4Very high91Very high17 Ų1731.9 Ų31.97%0.06716%0.159CC..Hα-helixtrans-66.6-44.3174.9-76.9-61.1000112.5K160 E161 K166 A167 L168 L224 F247 M250 V300K160-Y164 HydrophobicContact CD-CE2 4.11Å; K160-Y164 VanDerWaalsContact CE-CE2 3.44Å; K160-Y164 HydrophobicContact CG-CD2 3.78Å; K160-Y164 HydrophobicContact CG-CE2 3.49Å; K160-Y164 VanDerWaalsContact CG-CE2 3.49Å; K160-Y164 WeakPolarHBondContact O-CD2 3.25Å; K160-Y164 PolarHBondContact O-N 2.96Å; K160-Y164 VanDerWaalsContact O-N 3.08Å; E161-Y164 PolarHBondContact O-N 3.34Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 3.41Å; Y164-A167 PolarHBondContact O-N 3.47Å; Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 VanDerWaalsContact O-CG 3.22Å; Y164-L168 WeakPolarHBondContact O-CG 3.46Å; Y164-L168 PolarHBondContact O-N 2.92Å; Y164-L224 HydrophobicContact CD1-CD1 3.99Å; Y164-L224 HydrophobicContact CD1-CD2 4.24Å; Y164-L224 HydrophobicContact CE1-CD1 4.11Å; Y164-L224 HydrophobicContact CE1-CD2 3.52Å; Y164-L224 HydrophobicContact CE1-CG 4.49Å; Y164-F247 HydrophobicContact CG-CB 4.47Å; Y164-M250 HydrophobicContact CD1-CB 4.47Å; Y164-M250 HydrophobicContact CD1-SD 3.78Å; Y164-M250 HydrophobicContact CD2-CB 4.11Å; Y164-M250 HydrophobicContact CD2-CG 4.47Å; Y164-M250 HydrophobicContact CD2-SD 4.19Å; Y164-M250 HydrophobicContact CE1-CB 4.33Å; Y164-M250 HydrophobicContact CE1-SD 4.46Å; Y164-M250 HydrophobicContact CE2-CB 3.96Å; Y164-M250 HydrophobicContact CG-CB 4.38Å; Y164-M250 HydrophobicContact CG-CG 4.48Å; Y164-M250 HydrophobicContact CG-SD 3.64Å; Y164-V300 HydrophobicContact CD1-CB 4.45Å; Y164-V300 HydrophobicContact CD1-CG1 4.19Å; Y164-V300 HydrophobicContact CD1-CG2 3.86Å; Y164-V300 HydrophobicContact CE1-CB 4.04Å; Y164-V300 HydrophobicContact CE1-CG1 3.85Å; Y164-V300 HydrophobicContact CE1-CG2 3.89Å; Y164-V300 HydrophobicContact CE2-CG1 4.27Å
165M93.7Very high91.3Very high1 Ų132.4 Ų32.41%0.00516%0.162CC..Hα-helixtrans-57.3-43.8178.4-171.4-179.2-60.100111.3E161 F162 Y169 P176 P178 M188 F247E161-M165 HydrophobicContact CG-CE 4.06Å; E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.01Å; E161-M165 PolarHBondContact O-N 3.01Å; F162-M165 PolarHBondContact O-N 3.3Å; M165-Y169 WeakPolarHBondContact O-CB 3.33Å; M165-Y169 PolarHBondContact O-N 2.86Å; M165-P176 WeakPolarHBondContact CG-O 3.47Å; M165-P178 HydrophobicContact CB-CB 4.5Å; M165-P178 HydrophobicContact CG-CB 4.06Å; M165-P178 HydrophobicContact CG-CG 4.25Å; M165-P178 HydrophobicContact SD-CB 3.91Å; M165-M188 HydrophobicContact CE-CB 4.42Å; M165-M188 HydrophobicContact CE-CE 3.83Å; M165-M188 HydrophobicContact CE-SD 3.81Å; M165-M188 HydrophobicContact SD-CB 3.85Å; M165-M188 HydrophobicContact SD-SD 4.41Å; M165-F247 HydrophobicContact CB-CD2 3.89Å; M165-F247 HydrophobicContact CB-CE2 4.02Å; M165-F247 HydrophobicContact CE-CD2 4.1Å; M165-F247 HydrophobicContact CE-CE2 4.02Å; M165-F247 HydrophobicContact CG-CD2 4.37Å; M165-F247 HydrophobicContact CG-CE2 4.02Å
166K92.5Very high91.7Very high107 Ų10729.1 Ų29.147%0.46515%0.15SC..Hα-helixtrans-63.6-50.4175.5-171.3-178.8178-169.10112.3F162 Y164 L168 Y169 D170 P178F162-K166 HydrophobicContact CE1-CD 4.36Å; F162-K166 WeakPolarHBondContact O-CB 3.4Å; F162-K166 PolarHBondContact O-N 3.19Å; Y164-K166 VanDerWaalsContact C-N 3.28Å; Y164-K166 PolarHBondContact O-N 3.41Å; K166-L168 VanDerWaalsContact C-N 3.28Å; K166-L168 PolarHBondContact O-N 3.28Å; K166-Y169 PolarHBondContact O-N 3.26Å; K166-D170 WeakPolarHBondContact O-CB 3.35Å; K166-D170 VanDerWaalsContact O-CG 3.27Å; K166-D170 PolarHBondContact O-N 3.41Å; K166-P178 HydrophobicContact CB-CG 4.05Å; K166-P178 HydrophobicContact CG-CG 4.43Å
167A91.6Very high92.2Very high11 Ų1134 Ų349%0.09117%0.171CC..Hα-helixtrans-60-38.1179.300000112.6A163 Y164 R171 L296 V300A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 2.86Å; Y164-A167 PolarHBondContact O-N 3.47Å; A167-R171 WeakPolarHBondContact O-CG 3.3Å; A167-L296 HydrophobicContact CB-CD2 4.34Å; A167-V300 HydrophobicContact CB-CG2 3.76Å
168L92.9Very high92.5Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-72.1-43.3177.2-70.1173.9000111.7Y164 K166 R171 G172 F173 V175 L219 L224 F247 M250 L296Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 VanDerWaalsContact O-CG 3.22Å; Y164-L168 WeakPolarHBondContact O-CG 3.46Å; Y164-L168 PolarHBondContact O-N 2.92Å; K166-L168 VanDerWaalsContact C-N 3.28Å; K166-L168 PolarHBondContact O-N 3.28Å; L168-R171 PolarHBondContact O-N 2.89Å; L168-G172 PolarHBondContact O-N 2.91Å; L168-F173 HydrophobicContact CB-CB 4.07Å; L168-F173 HydrophobicContact CB-CD2 4.4Å; L168-F173 HydrophobicContact CB-CG 4.43Å; L168-F173 HydrophobicContact CD2-CB 4.41Å; L168-F173 HydrophobicContact CD2-CD1 4.34Å; L168-F173 HydrophobicContact CD2-CD2 3.77Å; L168-F173 HydrophobicContact CD2-CE2 4.04Å; L168-F173 HydrophobicContact CD2-CG 3.93Å; L168-F173 HydrophobicContact CD2-CZ 4.41Å; L168-F173 WeakPolarHBondContact O-CB 3.5Å; L168-F173 WeakPolarHBondContact O-CD2 3.46Å; L168-F173 PolarHBondContact O-N 2.7Å; L168-V175 HydrophobicContact CB-CG1 3.95Å; L168-V175 HydrophobicContact CB-CG2 3.98Å; L168-V175 HydrophobicContact CD1-CG1 4.12Å; L168-L219 HydrophobicContact CD1-CD2 4.46Å; L168-L219 HydrophobicContact CD2-CD2 3.52Å; L168-L224 HydrophobicContact CD2-CD1 4.24Å; L168-F247 HydrophobicContact CD1-CD1 3.83Å; L168-F247 HydrophobicContact CD1-CE1 3.76Å; L168-F247 HydrophobicContact CD1-CG 4.32Å; L168-F247 HydrophobicContact CD1-CZ 4.2Å; L168-M250 HydrophobicContact CD1-CE 4.14Å; L168-M250 HydrophobicContact CD1-SD 4.07Å; L168-L296 HydrophobicContact CD2-CD1 4.34Å
169Y94.4Very high92.7Very high91 Ų9137.2 Ų37.236%0.35719%0.191SC..Hα-helixtrans-61.1-46178.4-173.9-97.6000111.7M165 K166 R171 G172 V175 K177M165-Y169 WeakPolarHBondContact O-CB 3.33Å; M165-Y169 PolarHBondContact O-N 2.86Å; K166-Y169 PolarHBondContact O-N 3.26Å; Y169-R171 PolarHBondContact O-N 2.92Å; Y169-R171 VanDerWaalsContact O-N 3.14Å; Y169-G172 PolarHBondContact O-N 2.69Å; Y169-V175 HydrophobicContact CD2-CG2 4.22Å; Y169-K177 HydrophobicContact CD2-CB 4.22Å; Y169-K177 HydrophobicContact CE1-CG 3.99Å; Y169-K177 HydrophobicContact CE2-CB 3.62Å; Y169-K177 HydrophobicContact CE2-CG 3.98Å
170D91.8Very high93Very high112 Ų11236.9 Ų36.960%0.59919%0.19SC*.Hα-helixtrans-63-23179.5-69-17.5000112.6K166K166-D170 WeakPolarHBondContact O-CB 3.35Å; K166-D170 VanDerWaalsContact O-CG 3.27Å; K166-D170 PolarHBondContact O-N 3.41Å
171R90.4Very high93.3Very high104 Ų10439.8 Ų39.839%0.39220%0.201SC..THydrogen-bonded Turntrans-94.86177-61.3-73-175.6164.92.3113.2A167 L168 Y169 F173 L296 E299A167-R171 WeakPolarHBondContact O-CG 3.3Å; L168-R171 PolarHBondContact O-N 2.89Å; Y169-R171 PolarHBondContact O-N 2.92Å; Y169-R171 VanDerWaalsContact O-N 3.14Å; R171-F173 HydrophobicContact CB-CD2 3.81Å; R171-F173 HydrophobicContact CB-CE2 3.9Å; R171-L296 HydrophobicContact CG-CD1 4.21Å; R171-L296 HydrophobicContact CG-CD2 4.04Å; R171-E299 IonicContact CZ-OE2 3.94Å; R171-E299 IonicContact NH2-OE2 2.89Å; R171-E299 PolarHBondContact NH2-OE2 3.01Å
172G91.9Very high93.5Very high53 Ų5340.4 Ų40.455%0.54620%0.204SC..THydrogen-bonded Turntrans68.332.8178.400000113.4L168 Y169L168-G172 PolarHBondContact O-N 2.91Å; Y169-G172 PolarHBondContact O-N 2.69Å
173F94.6Very high93.5Very high8 Ų840.2 Ų40.24%0.03520%0.203CC..  trans-76.3150.4163.8-74.9-96.5000110L168 R171 V175 L215 K218 L219 H222 M244L168-F173 HydrophobicContact CB-CB 4.07Å; L168-F173 HydrophobicContact CB-CD2 4.4Å; L168-F173 HydrophobicContact CB-CG 4.43Å; L168-F173 HydrophobicContact CD2-CB 4.41Å; L168-F173 HydrophobicContact CD2-CD1 4.34Å; L168-F173 HydrophobicContact CD2-CD2 3.77Å; L168-F173 HydrophobicContact CD2-CE2 4.04Å; L168-F173 HydrophobicContact CD2-CG 3.93Å; L168-F173 HydrophobicContact CD2-CZ 4.41Å; L168-F173 WeakPolarHBondContact O-CB 3.5Å; L168-F173 WeakPolarHBondContact O-CD2 3.46Å; L168-F173 PolarHBondContact O-N 2.7Å; R171-F173 HydrophobicContact CB-CD2 3.81Å; R171-F173 HydrophobicContact CB-CE2 3.9Å; F173-V175 VanDerWaalsContact C-N 3.28Å; F173-V175 HydrophobicContact CB-CG1 4.15Å; F173-V175 PolarHBondContact O-N 3.13Å; F173-L215 HydrophobicContact CD1-CD1 3.88Å; F173-L215 HydrophobicContact CE1-CD1 4.36Å; F173-K218 HydrophobicContact CD1-CD 4.11Å; F173-K218 HydrophobicContact CE1-CB 3.96Å; F173-K218 HydrophobicContact CE1-CD 3.57Å; F173-K218 HydrophobicContact CE1-CG 3.54Å; F173-K218 HydrophobicContact CZ-CB 4.4Å; F173-K218 HydrophobicContact CZ-CD 3.94Å; F173-K218 HydrophobicContact CZ-CG 3.64Å; F173-L219 HydrophobicContact CD1-CD2 4.03Å; F173-L219 HydrophobicContact CD1-CG 4.45Å; F173-L219 HydrophobicContact CE1-CD2 3.71Å; F173-L219 HydrophobicContact CE1-CG 3.96Å; F173-L219 HydrophobicContact CZ-CD2 4.22Å; F173-H222 HydrophobicContact CZ-CB 4.42Å; F173-H222 AromaticContact CZ-CD2 3.92Å; F173-H222 AromaticContact CZ-CG 3.99Å; F173-M244 HydrophobicContact CB-CE 4.22Å; F173-M244 HydrophobicContact CD1-CE 4.01Å
174P94.6Very high93.6Very high25 Ų2539.9 Ų39.916%0.16220%0.2CC..SBendtrans-75.983.7176.532.1-34.9000110.3L215 I242 M244P174-L215 HydrophobicContact CG-CD1 3.99Å; P174-L215 HydrophobicContact CG-CD2 4.19Å; P174-I242 WeakPolarHBondContact CB-O 3.22Å; P174-M244 HydrophobicContact CG-CE 4.39Å; P174-M244 PolarHBondContact O-N 3.17Å
175V95.4Very high93.8Very high11 Ų1139 Ų397%0.06720%0.197CC..  trans-131.7153.8178.2-57.70000109.1L168 Y169 F173 M244 F247L168-V175 HydrophobicContact CB-CG1 3.95Å; L168-V175 HydrophobicContact CB-CG2 3.98Å; L168-V175 HydrophobicContact CD1-CG1 4.12Å; Y169-V175 HydrophobicContact CD2-CG2 4.22Å; F173-V175 VanDerWaalsContact C-N 3.28Å; F173-V175 HydrophobicContact CB-CG1 4.15Å; F173-V175 PolarHBondContact O-N 3.13Å; V175-M244 HydrophobicContact CG1-CB 4.38Å; V175-M244 HydrophobicContact CG1-CE 3.94Å; V175-F247 HydrophobicContact CB-CE2 4.28Å; V175-F247 HydrophobicContact CB-CZ 3.91Å; V175-F247 HydrophobicContact CG1-CE1 4.11Å; V175-F247 HydrophobicContact CG1-CE2 4.25Å; V175-F247 HydrophobicContact CG1-CZ 3.47Å; V175-F247 VanDerWaalsContact CG1-CZ 3.47Å
176P95.3Very high93.9Very high2 Ų239 Ų391%0.01320%0.197CC..PPolyproline II helixtrans-58.1141.9175.7-20.830.4000111.1M165 P178 M188 E189 I191 T243 M244 I245M165-P176 WeakPolarHBondContact CG-O 3.47Å; P176-P178 VanDerWaalsContact O-CD 3.32Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å; P176-M188 HydrophobicContact CB-CB 4.19Å; P176-M188 HydrophobicContact CB-CG 4.31Å; P176-M188 HydrophobicContact CB-SD 4.37Å; P176-M188 HydrophobicContact CG-SD 4.37Å; P176-E189 HydrophobicContact CB-CB 4.35Å; P176-I191 HydrophobicContact CB-CD1 4.27Å; P176-I191 HydrophobicContact CB-CG1 4.1Å; P176-I191 HydrophobicContact CG-CG1 3.97Å; P176-T243 HydrophobicContact CG-CG2 4.12Å; P176-M244 VanDerWaalsContact CD-O 3.24Å; P176-M244 WeakPolarHBondContact CD-O 3.09Å; P176-I245 HydrophobicContact CG-CG2 3.82Å
177K95.1Very high94.1Very high104 Ų10433.9 Ų33.945%0.45218%0.175SC..PPolyproline II helixtrans-62.8122.2173.9-177.1-179-179.1-179.10110.4Y169 M188 E189Y169-K177 HydrophobicContact CD2-CB 4.22Å; Y169-K177 HydrophobicContact CE1-CG 3.99Å; Y169-K177 HydrophobicContact CE2-CB 3.62Å; Y169-K177 HydrophobicContact CE2-CG 3.98Å; K177-M188 CarbonylContact O-C 3.55Å; K177-M188 WeakPolarHBondContact O-CA 3.26Å; K177-E189 HydrophobicContact CB-CB 3.97Å; K177-E189 VanDerWaalsContact CB-OE2 3.25Å; K177-E189 WeakPolarHBondContact CB-OE2 3.36Å; K177-E189 PolarHBondContact N-OE2 2.84Å; K177-E189 VanDerWaalsContact N-OE2 3.17Å; K177-E189 PolarHBondContact O-N 3.13Å
178P95.4Very high94.3Very high19 Ų1934.1 Ų34.112%0.12317%0.174CC..EExtended strand (participates in β ladder)trans-73.7131174.526.6-28000110F162 M165 K166 P176F162-P178 HydrophobicContact CD2-CB 3.98Å; F162-P178 HydrophobicContact CE2-CB 3.62Å; F162-P178 HydrophobicContact CZ-CB 4.25Å; M165-P178 HydrophobicContact CB-CB 4.5Å; M165-P178 HydrophobicContact CG-CB 4.06Å; M165-P178 HydrophobicContact CG-CG 4.25Å; M165-P178 HydrophobicContact SD-CB 3.91Å; K166-P178 HydrophobicContact CB-CG 4.05Å; K166-P178 HydrophobicContact CG-CG 4.43Å; P176-P178 VanDerWaalsContact O-CD 3.32Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å
179V94.8Very high94.5Very high51 Ų5138.1 Ų38.131%0.30919%0.193SC..EExtended strand (participates in β ladder)trans-102.6-58.7-179.2178.50000110.7V93 Y120 V187V93-V179 HydrophobicContact CG1-CG1 3.76Å; Y120-V179 HydrophobicContact CD1-CG2 4.16Å; Y120-V179 HydrophobicContact CE1-CG2 4.21Å; V179-V187 HydrophobicContact CB-CB 4.25Å; V179-V187 HydrophobicContact CB-CG1 3.98Å; V179-V187 WeakPolarHBondContact CB-O 2.97Å; V179-V187 HydrophobicContact CG1-CG1 4.23Å; V179-V187 HydrophobicContact CG2-CG1 4.48Å; V179-V187 PolarHBondContact N-O 3.38Å
180D95.1Very high94.4Very high20 Ų2035.2 Ų35.211%0.10718%0.183CC..EExtended strand (participates in β ladder)trans-157.9160.2-178.9-162.78.1000110.8F88 R91 V93 V187F88-D180 HydrophobicContact CD1-CB 4.25Å; F88-D180 WeakPolarHBondContact CD1-OD2 3.32Å; F88-D180 HydrophobicContact CE1-CB 3.91Å; R91-D180 WeakPolarHBondContact CD-OD2 3.35Å; R91-D180 IonicContact CZ-OD2 3.78Å; R91-D180 IonicContact NE-OD2 3.94Å; R91-D180 IonicContact NH1-OD1 2.76Å; R91-D180 PolarHBondContact NH1-OD1 2.89Å; R91-D180 IonicContact NH1-OD2 2.83Å; R91-D180 PolarHBondContact NH1-OD2 2.94Å; V93-D180 HydrophobicContact CG1-CB 4.32Å; V93-D180 HydrophobicContact CG2-CB 4.2Å; D180-V187 PolarHBondContact N-O 3.01Å; D180-V187 PolarHBondContact O-N 3.12Å
181Y94.3Very high94.4Very high70 Ų7031.8 Ų31.828%0.27516%0.164SC..EExtended strand (participates in β ladder)trans-137.3149.9170.679.7-75.9000110.8R91 M159 F162 A185R91-Y181 PolarHBondContact NH1-O 2.73Å; M159-Y181 HydrophobicContact CG-CD2 4.18Å; M159-Y181 HydrophobicContact CG-CE2 3.85Å; F162-Y181 HydrophobicContact CB-CD1 4.33Å; F162-Y181 HydrophobicContact CB-CG 4.12Å; F162-Y181 AromaticContact CD1-CD1 3.26Å; F162-Y181 HydrophobicContact CD1-CD1 3.26Å; F162-Y181 AromaticContact CD1-CE1 3.73Å; F162-Y181 HydrophobicContact CD1-CE1 3.73Å; F162-Y181 AromaticContact CD1-CG 3.93Å; F162-Y181 HydrophobicContact CD1-CG 3.93Å; F162-Y181 HydrophobicContact CD2-CD1 4.05Å; F162-Y181 HydrophobicContact CD2-CG 4.26Å; F162-Y181 AromaticContact CE1-CD1 3.38Å; F162-Y181 HydrophobicContact CE1-CD1 3.38Å; F162-Y181 AromaticContact CE1-CE1 3.76Å; F162-Y181 HydrophobicContact CE1-CE1 3.76Å; F162-Y181 HydrophobicContact CE1-CG 4.4Å; F162-Y181 HydrophobicContact CE2-CD1 4.12Å; F162-Y181 AromaticContact CG-CD1 3.62Å; F162-Y181 HydrophobicContact CG-CD1 3.62Å; F162-Y181 HydrophobicContact CG-CE1 4.47Å; F162-Y181 AromaticContact CG-CG 3.84Å; F162-Y181 HydrophobicContact CG-CG 3.84Å; F162-Y181 AromaticContact CZ-CD1 3.81Å; F162-Y181 HydrophobicContact CZ-CD1 3.81Å; Y181-A185 WeakPolarHBondContact CA-O 3.36Å
182N94.4Very high94.3Very high14 Ų1433.2 Ų33.28%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-157.2131.8171.9-175.833.3000110.3A84 T87 F88 H184 A185A84-N182 WeakPolarHBondContact CA-ND2 3.23Å; A84-N182 PolarHBondContact O-ND2 3.45Å; T87-N182 WeakPolarHBondContact CB-ND2 3.29Å; T87-N182 HydrophobicContact CG2-CB 4.35Å; T87-N182 WeakPolarHBondContact CG2-ND2 3.45Å; T87-N182 PolarHBondContact OG1-ND2 3.5Å; F88-N182 HydrophobicContact CD1-CB 4.5Å; F88-N182 HydrophobicContact CE1-CB 3.77Å; F88-N182 HydrophobicContact CE2-CB 4.31Å; F88-N182 HydrophobicContact CZ-CB 3.67Å; N182-H184 PolarHBondContact O-N 3.49Å; N182-A185 PolarHBondContact N-O 3.46Å; N182-A185 WeakPolarHBondContact O-CB 3.21Å; N182-A185 PolarHBondContact O-N 3.43Å
183R92.8Very high94.2Very high17 Ų1731.7 Ų31.76%0.06416%0.164CC..THydrogen-bonded Turntrans53.5-120.3-177.9-68.3172.8177.286.52.2110.4E24 Y80 L83 A84 T87 R155 A158E24-R183 VanDerWaalsContact CD-NE 3.32Å; E24-R183 IonicContact OE1-CZ 2.7Å; E24-R183 IonicContact OE1-NE 3.35Å; E24-R183 PolarHBondContact OE1-NE 3.3Å; E24-R183 IonicContact OE1-NH2 2.97Å; E24-R183 IonicContact OE2-CZ 2.69Å; E24-R183 IonicContact OE2-NE 3.56Å; E24-R183 PolarHBondContact OE2-NE 2.88Å; E24-R183 VanDerWaalsContact OE2-NE 3.16Å; E24-R183 IonicContact OE2-NH2 3.91Å; E24-R183 PolarHBondContact OE2-NH2 2.9Å; Y80-R183 HydrophobicContact CE1-CB 4Å; Y80-R183 HydrophobicContact CE2-CB 4.05Å; Y80-R183 VanDerWaalsContact CE2-CD 3.5Å; Y80-R183 HydrophobicContact CE2-CG 3.85Å; Y80-R183 WeakPolarHBondContact OH-CB 3.45Å; L83-R183 PolarHBondContact O-NH1 3.23Å; A84-R183 HydrophobicContact CB-CB 4.44Å; T87-R183 PolarHBondContact OG1-NH1 3.41Å; R155-R183 WeakPolarHBondContact CA-O 3.34Å; A158-R183 WeakPolarHBondContact CB-O 3.39Å
184H93.4Very high93.9Very high0 Ų037.7 Ų37.70%019%0.187CC..THydrogen-bonded Turntrans-95.210.1178.263.2-54.3000113.6Y80 D81 H125 A158 N182Y80-H184 HydrophobicContact CD1-CB 4.25Å; Y80-H184 AromaticContact CD1-CE1 3.3Å; Y80-H184 WeakPolarHBondContact CD1-CE1 3.39Å; Y80-H184 AromaticContact CD1-CG 3.53Å; Y80-H184 AromaticContact CD1-ND1 2.99Å; Y80-H184 WeakPolarHBondContact CD1-ND1 3.48Å; Y80-H184 AromaticContact CD1-NE2 3.94Å; Y80-H184 HydrophobicContact CE1-CB 3.8Å; Y80-H184 AromaticContact CE1-CE1 3.92Å; Y80-H184 AromaticContact CE1-CG 3.56Å; Y80-H184 AromaticContact CE1-ND1 3.12Å; Y80-H184 WeakPolarHBondContact CE1-ND1 3.3Å; Y80-H184 AromaticContact CG-CE1 3.83Å; Y80-H184 AromaticContact CG-ND1 3.85Å; Y80-H184 PolarHBondContact O-CE1 2.99Å; D81-H184 IonicContact OD1-CD2 3.63Å; D81-H184 IonicContact OD1-CE1 2.71Å; D81-H184 PolarHBondContact OD1-CE1 3.07Å; D81-H184 IonicContact OD1-NE2 3.6Å; D81-H184 PolarHBondContact OD1-NE2 2.88Å; H125-H184 HydrophobicContact CB-CB 4.21Å; H125-H184 WeakPolarHBondContact CB-O 3.32Å; H125-H184 PolarHBondContact N-O 2.84Å; H125-H184 PolarHBondContact ND1-O 2.87Å; H125-H184 PolarHBondContact O-CD2 3.35Å; H125-H184 VanDerWaalsContact O-CD2 3.31Å; A158-H184 VanDerWaalsContact CB-C 3.45Å; N182-H184 PolarHBondContact O-N 3.49Å
185A95.8Very high93.8Very high0 Ų038.1 Ų38.10%019%0.19CC..EExtended strand (participates in β ladder)trans-113.2136.3-173.700000111.4A84 F88 L122 K123 L124 Y181 N182A84-A185 HydrophobicContact CB-CB 3.88Å; F88-A185 HydrophobicContact CE2-CB 3.61Å; F88-A185 HydrophobicContact CZ-CB 4.03Å; L122-A185 HydrophobicContact CD1-CB 4.1Å; K123-A185 WeakPolarHBondContact O-CA 3.32Å; L124-A185 HydrophobicContact CD2-CB 3.43Å; L124-A185 VanDerWaalsContact CD2-CB 3.43Å; Y181-A185 WeakPolarHBondContact CA-O 3.36Å; N182-A185 PolarHBondContact N-O 3.46Å; N182-A185 WeakPolarHBondContact O-CB 3.21Å; N182-A185 PolarHBondContact O-N 3.43Å
186V96.4Very high93.5Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-125.9129.6176.9-177.90000108.8K123 A158 F162 M188K123-V186 PolarHBondContact N-O 2.84Å; K123-V186 PolarHBondContact O-N 3.32Å; A158-V186 HydrophobicContact CB-CG2 3.89Å; A158-V186 WeakPolarHBondContact O-CG2 3.15Å; F162-V186 HydrophobicContact CB-CG1 4.47Å; F162-V186 HydrophobicContact CB-CG2 4.44Å; F162-V186 HydrophobicContact CD2-CG1 4.07Å; V186-M188 HydrophobicContact CB-CE 4.28Å; V186-M188 HydrophobicContact CG1-CE 3.97Å
187V96.6Very high93.1Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-103.4125172.3-173.90000108F88 V93 I94 V112 Y120 A121 L122 V179 D180F88-V187 HydrophobicContact CD1-CG2 4.16Å; F88-V187 HydrophobicContact CD2-CG2 4.19Å; F88-V187 HydrophobicContact CE1-CG2 3.91Å; F88-V187 HydrophobicContact CE2-CG2 3.93Å; F88-V187 HydrophobicContact CG-CG2 4.3Å; F88-V187 HydrophobicContact CZ-CG2 3.78Å; V93-V187 HydrophobicContact CG1-CB 4.48Å; V93-V187 HydrophobicContact CG1-CG1 4.11Å; V93-V187 HydrophobicContact CG1-CG2 4.44Å; I94-V187 HydrophobicContact CD1-CG2 3.86Å; I94-V187 HydrophobicContact CG1-CG2 4.43Å; V112-V187 HydrophobicContact CG2-CG1 4.43Å; Y120-V187 HydrophobicContact CD2-CG1 4.23Å; Y120-V187 HydrophobicContact CG-CG1 4.22Å; A121-V187 WeakPolarHBondContact O-CA 3.36Å; L122-V187 HydrophobicContact CD1-CG2 3.83Å; V179-V187 HydrophobicContact CB-CB 4.25Å; V179-V187 HydrophobicContact CB-CG1 3.98Å; V179-V187 WeakPolarHBondContact CB-O 2.97Å; V179-V187 HydrophobicContact CG1-CG1 4.23Å; V179-V187 HydrophobicContact CG2-CG1 4.48Å; V179-V187 PolarHBondContact N-O 3.38Å; D180-V187 PolarHBondContact N-O 3.01Å; D180-V187 PolarHBondContact O-N 3.12Å
188M95.9Very high92.7Very high16 Ų1639.9 Ų39.98%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-137.5164.8-178.568.4-168.781.600110.4Y120 A121 K123 M165 P176 K177 V186Y120-M188 WeakPolarHBondContact CB-O 3.42Å; A121-M188 HydrophobicContact CB-CG 3.97Å; A121-M188 PolarHBondContact N-O 3.1Å; A121-M188 PolarHBondContact O-N 2.95Å; K123-M188 HydrophobicContact CB-CE 3.62Å; K123-M188 HydrophobicContact CD-CE 3.92Å; K123-M188 HydrophobicContact CG-CE 4.43Å; M165-M188 HydrophobicContact CE-CB 4.42Å; M165-M188 HydrophobicContact CE-CE 3.83Å; M165-M188 HydrophobicContact CE-SD 3.81Å; M165-M188 HydrophobicContact SD-CB 3.85Å; M165-M188 HydrophobicContact SD-SD 4.41Å; P176-M188 HydrophobicContact CB-CB 4.19Å; P176-M188 HydrophobicContact CB-CG 4.31Å; P176-M188 HydrophobicContact CB-SD 4.37Å; P176-M188 HydrophobicContact CG-SD 4.37Å; K177-M188 CarbonylContact O-C 3.55Å; K177-M188 WeakPolarHBondContact O-CA 3.26Å; V186-M188 HydrophobicContact CB-CE 4.28Å; V186-M188 HydrophobicContact CG1-CE 3.97Å
189E95.4Very high92.2Very high84 Ų8440 Ų4039%0.39320%0.203SC..EExtended strand (participates in β ladder)trans-52.3138.5173.2-176.7171.6-16300112.3P176 K177 I191P176-E189 HydrophobicContact CB-CB 4.35Å; K177-E189 HydrophobicContact CB-CB 3.97Å; K177-E189 VanDerWaalsContact CB-OE2 3.25Å; K177-E189 WeakPolarHBondContact CB-OE2 3.36Å; K177-E189 PolarHBondContact N-OE2 2.84Å; K177-E189 VanDerWaalsContact N-OE2 3.17Å; K177-E189 PolarHBondContact O-N 3.13Å; E189-I191 HydrophobicContact CB-CD1 4.4Å; E189-I191 HydrophobicContact CG-CD1 3.98Å; E189-I191 PolarHBondContact O-N 3.36Å
190L94Very high91.5Very high29 Ų2944 Ų4415%0.15222%0.218CC..  trans-81.4106173.1-179.664.8000108.9M101 Q119 A121M101-L190 HydrophobicContact CE-CD1 3.55Å; M101-L190 HydrophobicContact SD-CD1 3.78Å; Q119-L190 HydrophobicContact CB-CD2 3.89Å; A121-L190 HydrophobicContact CB-CD1 4.18Å
191I91.8Very high90.6Very high40 Ų4051.6 Ų51.621%0.20525%0.253CS..  trans-84.2123.2176.8-52.9-63000109.4P176 E189 G193 M235 T243P176-I191 HydrophobicContact CB-CD1 4.27Å; P176-I191 HydrophobicContact CB-CG1 4.1Å; P176-I191 HydrophobicContact CG-CG1 3.97Å; E189-I191 HydrophobicContact CB-CD1 4.4Å; E189-I191 HydrophobicContact CG-CD1 3.98Å; E189-I191 PolarHBondContact O-N 3.36Å; I191-G193 PolarHBondContact O-N 3.11Å; I191-M235 HydrophobicContact CB-CE 3.45Å; I191-M235 VanDerWaalsContact CB-CE 3.45Å; I191-M235 HydrophobicContact CG1-CE 4.42Å; I191-M235 HydrophobicContact CG2-CE 3.36Å; I191-T243 HydrophobicContact CD1-CG2 4.43Å; I191-T243 HydrophobicContact CG1-CG2 4.18Å; I191-T243 HydrophobicContact CG2-CG2 4.48Å
192N88.6Confident89.9Confident135 Ų13549.4 Ų49.472%0.72225%0.246SC*.  trans-85.284173.3-70.7-33.4000109.1
193G87.9Confident89Confident20 Ų2057.4 Ų57.421%0.20628%0.283CS..  trans-152.8172.1178.600000112.1I191 L236I191-G193 PolarHBondContact O-N 3.11Å; G193-L236 CarbonylContact C-O 3.59Å; G193-L236 WeakPolarHBondContact CA-O 3.25Å
194Y90.1Very high88.5Confident134 Ų13461 Ų6153%0.52530%0.304SS..EExtended strand (participates in β ladder)trans-109.5139178.6-58.3-82.4000109.6L196 M235 L236Y194-L196 PolarHBondContact O-N 3.37Å; Y194-M235 WeakPolarHBondContact O-CA 3.3Å; Y194-L236 PolarHBondContact N-O 3.46Å; Y194-L236 PolarHBondContact O-N 3.42Å
195P91.1Very high88.2Confident35 Ų3563.2 Ų63.223%0.22732%0.315CS..EExtended strand (participates in β ladder)trans-55.9140.3168.1-22.833.3000110.2C197 Q198 L234P195-C197 PolarHBondContact O-N 3.44Å; P195-Q198 WeakPolarHBondContact O-CB 3.36Å; P195-Q198 PolarHBondContact O-N 3.27Å; P195-L234 WeakPolarHBondContact CA-O 3.45Å
196L89.1Confident87.8Confident0 Ų065.9 Ų65.90%033%0.334CS..G310 helixtrans-54.7-30.9-175.5-177.865000112.6Y194 Q198 V199 F212 E231 L234 L236 F272Y194-L196 PolarHBondContact O-N 3.37Å; L196-Q198 PolarHBondContact O-N 3.31Å; L196-V199 PolarHBondContact O-N 3.16Å; L196-V199 VanDerWaalsContact O-N 3.16Å; L196-F212 HydrophobicContact CD1-CZ 4.41Å; L196-F212 HydrophobicContact CD2-CE2 4.06Å; L196-F212 HydrophobicContact CD2-CZ 3.89Å; L196-E231 HydrophobicContact CB-CB 4.29Å; L196-E231 WeakPolarHBondContact CB-O 3.07Å; L196-E231 HydrophobicContact CD2-CB 4.29Å; L196-E231 HydrophobicContact CG-CB 4.41Å; L196-E231 PolarHBondContact N-O 2.95Å; L196-L234 HydrophobicContact CB-CB 4.27Å; L196-L234 HydrophobicContact CD2-CB 4.45Å; L196-L234 HydrophobicContact CD2-CD1 4.25Å; L196-L234 PolarHBondContact N-O 3.26Å; L196-L236 HydrophobicContact CD1-CD1 3.46Å; L196-L236 VanDerWaalsContact CD1-CD1 3.46Å; L196-L236 HydrophobicContact CD1-CG 4.18Å; L196-F272 HydrophobicContact CD1-CE1 4.16Å; L196-F272 HydrophobicContact CD2-CD1 3.93Å; L196-F272 HydrophobicContact CD2-CE1 3.49Å; L196-F272 VanDerWaalsContact CD2-CE1 3.49Å; L196-F272 HydrophobicContact CD2-CZ 4.18Å; L196-F272 HydrophobicContact CG-CD1 4.41Å; L196-F272 HydrophobicContact CG-CE1 3.5Å; L196-F272 VanDerWaalsContact CG-CE1 3.5Å; L196-F272 HydrophobicContact CG-CZ 3.78Å
197C87.8Confident87.5Confident39 Ų3968.2 Ų68.226%0.26435%0.353SS..G310 helixtrans-59.4-24.5175.366.80000114.8P195 E231 F232P195-C197 PolarHBondContact O-N 3.44Å; C197-E231 HydrophobicContact CB-CB 4.32Å; C197-E231 HydrophobicContact CB-CG 3.73Å; C197-E231 PolarHBondContact N-O 2.71Å; C197-E231 VanDerWaalsContact N-O 3.07Å; C197-F232 HydrophobicContact CB-CD1 4.13Å; C197-F232 HydrophobicContact CB-CE1 3.86Å; C197-F232 HydrophobicContact CB-CZ 4.37Å; C197-F232 VanDerWaalsContact SG-CD1 3.59Å
198Q87Confident87.1Confident114 Ų11468.6 Ų68.653%0.53336%0.355SS..G310 helixtrans-92.2-10.4-179.4-61.8-179.41.300113.1P195 L196 H200P195-Q198 WeakPolarHBondContact O-CB 3.36Å; P195-Q198 PolarHBondContact O-N 3.27Å; L196-Q198 PolarHBondContact O-N 3.31Å; Q198-H200 PolarHBondContact O-CD2 2.95Å; Q198-H200 VanDerWaalsContact O-CD2 3.28Å
199V84.8Confident86.9Confident22 Ų2268.1 Ų68.113%0.13335%0.352CS..  trans-82.6129.3-177-175.70000109.4L196 L202 L236 R276 Y277L196-V199 PolarHBondContact O-N 3.16Å; L196-V199 VanDerWaalsContact O-N 3.16Å; V199-L202 HydrophobicContact CG1-CD2 3.61Å; V199-L202 HydrophobicContact CG1-CG 3.97Å; V199-L236 HydrophobicContact CG1-CD1 4.4Å; V199-L236 HydrophobicContact CG2-CD1 4.16Å; V199-R276 PolarHBondContact O-NH2 3.17Å; V199-Y277 PolarHBondContact O-OH 3.41Å; V199-Y277 VanDerWaalsContact O-OH 3.06Å
200H78.8Confident86.7Confident134 Ų13467 Ų6762%0.6235%0.354SS*.  trans-106-38.2-175.2-79.3-92.7000114.4Q198 R276Q198-H200 PolarHBondContact O-CD2 2.95Å; Q198-H200 VanDerWaalsContact O-CD2 3.28Å; H200-R276 VanDerWaalsContact CA-NH2 3.28Å; H200-R276 PolarHBondContact CD2-NH2 3.21Å; H200-R276 PolarHBondContact CE1-NH2 2.87Å; H200-R276 PolarHBondContact ND1-NH2 3.16Å
201E76.6Confident86.6Confident180 Ų18069.4 Ų69.484%0.84136%0.364SS*.  trans-127.3129.7-176.5-66.1179.9-17700107.1
202L79.1Confident86.7Confident25 Ų2567.5 Ų67.513%0.13136%0.355CS..  trans-123.3141.7176.8-72170.9000107.3V199 L205 L208 L236 Y277V199-L202 HydrophobicContact CG1-CD2 3.61Å; V199-L202 HydrophobicContact CG1-CG 3.97Å; L202-L205 HydrophobicContact CB-CD2 3.79Å; L202-L205 HydrophobicContact CB-CG 4.33Å; L202-L205 HydrophobicContact CD1-CD2 3.58Å; L202-L205 HydrophobicContact CG-CD2 4.27Å; L202-L208 HydrophobicContact CD1-CD2 3.62Å; L202-L208 HydrophobicContact CD2-CD2 3.98Å; L202-L208 HydrophobicContact CG-CD2 4.4Å; L202-L236 HydrophobicContact CD2-CD1 3.75Å; L202-Y277 HydrophobicContact CD1-CE1 4.09Å; L202-Y277 HydrophobicContact CD1-CE2 3.78Å; L202-Y277 WeakPolarHBondContact CD1-OH 3.48Å; L202-Y277 HydrophobicContact CG-CE1 4.42Å
203Q75.8Confident86.8Confident182 Ų18261.6 Ų61.685%0.8532%0.323SS*.SBendtrans-72.4-47.2-177.7-61.1-175.224.400111.3
204D83.7Confident87.1Confident93 Ų9367.3 Ų67.350%0.49734%0.344SS..  trans-129.795.4179.4-168.4-15.7000111.9S206 A207 L208D204-S206 VanDerWaalsContact C-N 3.34Å; D204-S206 PolarHBondContact O-N 3.41Å; D204-S206 PolarHBondContact OD1-N 2.79Å; D204-S206 VanDerWaalsContact OD1-N 3.09Å; D204-A207 HydrophobicContact CB-CB 4.1Å; D204-A207 VanDerWaalsContact CG-CB 3.41Å; D204-A207 PolarHBondContact OD1-N 3.05Å; D204-A207 WeakPolarHBondContact OD2-CB 3.5Å; D204-L208 WeakPolarHBondContact O-CB 3.07Å; D204-L208 PolarHBondContact O-N 3.13Å
205L85.9Confident87.2Confident46 Ų4661.5 Ų61.524%0.24132%0.322CS..Hα-helixtrans-65.9-34.9178.8-70.5167.7000113.1L202 Y209 F273 Y277L202-L205 HydrophobicContact CB-CD2 3.79Å; L202-L205 HydrophobicContact CB-CG 4.33Å; L202-L205 HydrophobicContact CD1-CD2 3.58Å; L202-L205 HydrophobicContact CG-CD2 4.27Å; L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.41Å; L205-Y209 PolarHBondContact O-N 2.8Å; L205-F273 HydrophobicContact CD2-CE1 4.25Å; L205-Y277 HydrophobicContact CD1-CG 4.41Å; L205-Y277 HydrophobicContact CD2-CD1 3.79Å; L205-Y277 HydrophobicContact CD2-CD2 3.75Å; L205-Y277 HydrophobicContact CD2-CE1 4.27Å; L205-Y277 HydrophobicContact CD2-CE2 4.24Å; L205-Y277 HydrophobicContact CD2-CG 3.51Å
206S88Confident87.3Confident55 Ų5560.1 Ų60.139%0.38531%0.313SS..Hα-helixtrans-77.3-39.7-172.7-1680000111.2D204 S210 Y279D204-S206 VanDerWaalsContact C-N 3.34Å; D204-S206 PolarHBondContact O-N 3.41Å; D204-S206 PolarHBondContact OD1-N 2.79Å; D204-S206 VanDerWaalsContact OD1-N 3.09Å; S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.12Å; S206-S210 VanDerWaalsContact O-N 3.16Å; S206-S210 PolarHBondContact O-OG 3Å; S206-Y279 PolarHBondContact OG-OH 3.33Å
207A89.3Confident87.5Confident50 Ų5061.8 Ų61.841%0.41332%0.323SS..Hα-helixtrans-63.9-48.9174.200000110.5D204 Y209 S210 E211D204-A207 HydrophobicContact CB-CB 4.1Å; D204-A207 VanDerWaalsContact CG-CB 3.41Å; D204-A207 PolarHBondContact OD1-N 3.05Å; D204-A207 WeakPolarHBondContact OD2-CB 3.5Å; A207-Y209 PolarHBondContact O-N 3.15Å; A207-S210 WeakPolarHBondContact O-CB 3.48Å; A207-S210 PolarHBondContact O-N 3.37Å; A207-S210 VanDerWaalsContact O-N 3.11Å; A207-E211 PolarHBondContact O-N 3.09Å
208L89.4Confident87.7Confident8 Ų863.4 Ų63.44%0.04233%0.326CS..Hα-helixtrans-63.6-41.9-178.1-16774.4000112.7L202 D204 S210 E211 F212 L236 I242 F273L202-L208 HydrophobicContact CD1-CD2 3.62Å; L202-L208 HydrophobicContact CD2-CD2 3.98Å; L202-L208 HydrophobicContact CG-CD2 4.4Å; D204-L208 WeakPolarHBondContact O-CB 3.07Å; D204-L208 PolarHBondContact O-N 3.13Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 2.99Å; L208-E211 PolarHBondContact O-N 2.97Å; L208-F212 HydrophobicContact CD1-CE2 4.29Å; L208-F212 HydrophobicContact CD2-CE2 3.73Å; L208-F212 HydrophobicContact CD2-CZ 4.34Å; L208-F212 HydrophobicContact CG-CD2 4.11Å; L208-F212 HydrophobicContact CG-CE2 3.58Å; L208-F212 HydrophobicContact CG-CZ 4.27Å; L208-F212 WeakPolarHBondContact O-CD2 3.12Å; L208-F212 PolarHBondContact O-N 3.25Å; L208-L236 HydrophobicContact CD1-CD2 4.04Å; L208-L236 HydrophobicContact CD2-CD1 4.05Å; L208-L236 HydrophobicContact CD2-CD2 4.4Å; L208-I242 HydrophobicContact CD1-CD1 3.7Å; L208-I242 HydrophobicContact CD1-CG1 3.71Å; L208-I242 HydrophobicContact CG-CD1 4.41Å; L208-F273 HydrophobicContact CD2-CZ 4.36Å
209Y91Very high88Confident5 Ų558.1 Ų58.12%0.0230%0.301CS..Hα-helixtrans-59.7-43173.8175-88.5000111.6L205 A207 E211 F212 M213 I269 R270 F273 Y279 S281 L283L205-Y209 VanDerWaalsContact O-CB 3.29Å; L205-Y209 WeakPolarHBondContact O-CB 3.41Å; L205-Y209 PolarHBondContact O-N 2.8Å; A207-Y209 PolarHBondContact O-N 3.15Å; Y209-E211 VanDerWaalsContact C-N 3.31Å; Y209-E211 PolarHBondContact O-N 2.92Å; Y209-F212 PolarHBondContact O-N 3.3Å; Y209-M213 HydrophobicContact CD1-CG 4.18Å; Y209-M213 HydrophobicContact CD2-CE 4.32Å; Y209-M213 HydrophobicContact CE1-CE 4.31Å; Y209-M213 HydrophobicContact CE1-CG 3.69Å; Y209-M213 HydrophobicContact CE2-CE 3.45Å; Y209-M213 VanDerWaalsContact CE2-CE 3.45Å; Y209-M213 HydrophobicContact CE2-CG 4.37Å; Y209-M213 VanDerWaalsContact CZ-CE 3.45Å; Y209-M213 WeakPolarHBondContact O-CG 3.39Å; Y209-M213 PolarHBondContact O-N 3.48Å; Y209-M213 WeakPolarHBondContact OH-CE 3.5Å; Y209-I269 HydrophobicContact CD2-CG2 4.31Å; Y209-I269 HydrophobicContact CE2-CG2 4.36Å; Y209-R270 HydrophobicContact CE2-CG 4.17Å; Y209-R270 WeakPolarHBondContact OH-CG 3.43Å; Y209-F273 HydrophobicContact CD2-CB 4.31Å; Y209-F273 HydrophobicContact CD2-CD1 4.14Å; Y209-F273 HydrophobicContact CD2-CD2 4.09Å; Y209-F273 HydrophobicContact CD2-CE1 4.49Å; Y209-F273 HydrophobicContact CD2-CE2 4.44Å; Y209-F273 AromaticContact CD2-CG 3.92Å; Y209-F273 HydrophobicContact CD2-CG 3.92Å; Y209-Y279 AromaticContact CD1-CE1 3.96Å; Y209-Y279 HydrophobicContact CD1-CE1 3.96Å; Y209-Y279 HydrophobicContact CD2-CD1 4.36Å; Y209-Y279 HydrophobicContact CD2-CE1 4.08Å; Y209-Y279 HydrophobicContact CG-CD1 4.34Å; Y209-Y279 AromaticContact CG-CE1 3.67Å; Y209-Y279 HydrophobicContact CG-CE1 3.67Å; Y209-S281 WeakPolarHBondContact CE1-OG 3.14Å; Y209-L283 PolarHBondContact OH-O 2.99Å
210S91.4Very high88.3Confident62 Ų6257.1 Ų57.143%0.43430%0.295SS..Hα-helixtrans-63.6-39.5178-57.20000111.2S206 A207 L208 M213 E214S206-S210 WeakPolarHBondContact O-CB 3.3Å; S206-S210 PolarHBondContact O-N 3.12Å; S206-S210 VanDerWaalsContact O-N 3.16Å; S206-S210 PolarHBondContact O-OG 3Å; A207-S210 WeakPolarHBondContact O-CB 3.48Å; A207-S210 PolarHBondContact O-N 3.37Å; A207-S210 VanDerWaalsContact O-N 3.11Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 2.99Å; S210-M213 PolarHBondContact O-N 3.19Å; S210-E214 WeakPolarHBondContact O-CB 3.48Å; S210-E214 PolarHBondContact O-N 2.99Å
211E92.1Very high88.9Confident78 Ų7852.5 Ų52.536%0.36428%0.275SS..Hα-helixtrans-64.7-42.7176.6-164.6179.7165.900112A207 L208 Y209 M213 E214 L215 I242A207-E211 PolarHBondContact O-N 3.09Å; L208-E211 PolarHBondContact O-N 2.97Å; Y209-E211 VanDerWaalsContact C-N 3.31Å; Y209-E211 PolarHBondContact O-N 2.92Å; E211-M213 PolarHBondContact O-N 3.36Å; E211-E214 PolarHBondContact O-N 2.83Å; E211-L215 WeakPolarHBondContact O-CB 3.33Å; E211-L215 PolarHBondContact O-N 3.29Å; E211-I242 HydrophobicContact CB-CD1 3.87Å; E211-I242 HydrophobicContact CG-CD1 3.71Å
212F92.6Very high89.5Confident0 Ų045.2 Ų45.20%024%0.241CC..Hα-helixtrans-60.5-44.8173.6-75-56.4000112.2L196 L208 Y209 L215 I216 F229 L234 L236 I242 I269 F273L196-F212 HydrophobicContact CD1-CZ 4.41Å; L196-F212 HydrophobicContact CD2-CE2 4.06Å; L196-F212 HydrophobicContact CD2-CZ 3.89Å; L208-F212 HydrophobicContact CD1-CE2 4.29Å; L208-F212 HydrophobicContact CD2-CE2 3.73Å; L208-F212 HydrophobicContact CD2-CZ 4.34Å; L208-F212 HydrophobicContact CG-CD2 4.11Å; L208-F212 HydrophobicContact CG-CE2 3.58Å; L208-F212 HydrophobicContact CG-CZ 4.27Å; L208-F212 WeakPolarHBondContact O-CD2 3.12Å; L208-F212 PolarHBondContact O-N 3.25Å; Y209-F212 PolarHBondContact O-N 3.3Å; F212-L215 WeakPolarHBondContact O-CB 3.36Å; F212-L215 PolarHBondContact O-N 2.93Å; F212-I216 WeakPolarHBondContact O-CG1 3.49Å; F212-I216 PolarHBondContact O-N 3.46Å; F212-I216 VanDerWaalsContact O-N 3.09Å; F212-F229 HydrophobicContact CD1-CE1 4.28Å; F212-F229 HydrophobicContact CD1-CZ 4.24Å; F212-L234 HydrophobicContact CD1-CD1 3.86Å; F212-L234 HydrophobicContact CD1-CD2 4.32Å; F212-L234 HydrophobicContact CE1-CB 4.17Å; F212-L234 HydrophobicContact CE1-CD1 3.58Å; F212-L234 HydrophobicContact CE1-CD2 3.98Å; F212-L234 HydrophobicContact CE1-CG 4.11Å; F212-L234 HydrophobicContact CZ-CD1 4.23Å; F212-L236 HydrophobicContact CZ-CD2 4.44Å; F212-I242 HydrophobicContact CD1-CD1 3.61Å; F212-I242 HydrophobicContact CD1-CG1 4.28Å; F212-I242 HydrophobicContact CD1-CG2 4.12Å; F212-I242 HydrophobicContact CD2-CD1 4.3Å; F212-I242 HydrophobicContact CE1-CB 4.21Å; F212-I242 HydrophobicContact CE1-CD1 3.46Å; F212-I242 VanDerWaalsContact CE1-CD1 3.46Å; F212-I242 HydrophobicContact CE1-CG1 3.62Å; F212-I242 HydrophobicContact CE1-CG2 3.51Å; F212-I242 HydrophobicContact CE2-CD1 4.19Å; F212-I242 HydrophobicContact CG-CD1 4.02Å; F212-I242 HydrophobicContact CZ-CD1 3.77Å; F212-I242 HydrophobicContact CZ-CG1 3.78Å; F212-I242 HydrophobicContact CZ-CG2 4.38Å; F212-I269 HydrophobicContact CB-CG2 4.23Å; F212-F273 AromaticContact CD2-CE2 3.74Å; F212-F273 HydrophobicContact CD2-CE2 3.74Å; F212-F273 AromaticContact CD2-CZ 3.74Å; F212-F273 HydrophobicContact CD2-CZ 3.74Å; F212-F273 AromaticContact CE2-CE2 3.89Å; F212-F273 HydrophobicContact CE2-CE2 3.89Å; F212-F273 AromaticContact CE2-CZ 3.75Å; F212-F273 HydrophobicContact CE2-CZ 3.75Å
213M92.4Very high90Very high12 Ų1244 Ų446%0.05924%0.235CC..Hα-helixtrans-66.3-40.5178.6-68.9-60.8163.700111.8Y209 S210 E211 L215 I216 V217 V266 I269 R270 P285Y209-M213 HydrophobicContact CD1-CG 4.18Å; Y209-M213 HydrophobicContact CD2-CE 4.32Å; Y209-M213 HydrophobicContact CE1-CE 4.31Å; Y209-M213 HydrophobicContact CE1-CG 3.69Å; Y209-M213 HydrophobicContact CE2-CE 3.45Å; Y209-M213 VanDerWaalsContact CE2-CE 3.45Å; Y209-M213 HydrophobicContact CE2-CG 4.37Å; Y209-M213 VanDerWaalsContact CZ-CE 3.45Å; Y209-M213 WeakPolarHBondContact O-CG 3.39Å; Y209-M213 PolarHBondContact O-N 3.48Å; Y209-M213 WeakPolarHBondContact OH-CE 3.5Å; S210-M213 PolarHBondContact O-N 3.19Å; E211-M213 PolarHBondContact O-N 3.36Å; M213-L215 VanDerWaalsContact C-N 3.28Å; M213-L215 PolarHBondContact O-N 3.48Å; M213-I216 PolarHBondContact O-N 3.33Å; M213-I216 HydrophobicContact SD-CD1 4.24Å; M213-V217 WeakPolarHBondContact O-CG2 3.25Å; M213-V217 PolarHBondContact O-N 2.96Å; M213-V217 VanDerWaalsContact O-N 3.09Å; M213-V266 HydrophobicContact CE-CG1 4.18Å; M213-V266 HydrophobicContact SD-CG1 4.06Å; M213-I269 HydrophobicContact CE-CB 3.84Å; M213-I269 HydrophobicContact CE-CG2 3.73Å; M213-R270 HydrophobicContact CE-CG 3.8Å; M213-P285 HydrophobicContact CB-CG 4.37Å; M213-P285 HydrophobicContact SD-CG 4.08Å
214E92.2Very high90.7Very high139 Ų13935.4 Ų35.465%0.6519%0.194SC*.Hα-helixtrans-61.4-38.7173.7-174.4173.8-178.300111.3S210 E211 V217 K218S210-E214 WeakPolarHBondContact O-CB 3.48Å; S210-E214 PolarHBondContact O-N 2.99Å; E211-E214 PolarHBondContact O-N 2.83Å; E214-V217 PolarHBondContact O-N 3.21Å; E214-K218 VanDerWaalsContact O-CB 3.24Å; E214-K218 WeakPolarHBondContact O-CB 3.25Å; E214-K218 PolarHBondContact O-N 3.1Å
215L93.7Very high91.1Very high12 Ų1231.2 Ų31.26%0.06317%0.172CC..Hα-helixtrans-65.5-42.9178.8-167.160.3000112.5F173 P174 E211 F212 M213 V217 K218 L219 F229 I242 M244F173-L215 HydrophobicContact CD1-CD1 3.88Å; F173-L215 HydrophobicContact CE1-CD1 4.36Å; P174-L215 HydrophobicContact CG-CD1 3.99Å; P174-L215 HydrophobicContact CG-CD2 4.19Å; E211-L215 WeakPolarHBondContact O-CB 3.33Å; E211-L215 PolarHBondContact O-N 3.29Å; F212-L215 WeakPolarHBondContact O-CB 3.36Å; F212-L215 PolarHBondContact O-N 2.93Å; M213-L215 VanDerWaalsContact C-N 3.28Å; M213-L215 PolarHBondContact O-N 3.48Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-K218 PolarHBondContact O-N 2.94Å; L215-L219 WeakPolarHBondContact O-CG 3.1Å; L215-L219 PolarHBondContact O-N 3.41Å; L215-F229 HydrophobicContact CD2-CZ 4.31Å; L215-I242 HydrophobicContact CD2-CG2 4.12Å; L215-M244 HydrophobicContact CD1-CE 3.75Å; L215-M244 HydrophobicContact CD1-SD 4.2Å; L215-M244 HydrophobicContact CD2-CE 3.83Å; L215-M244 HydrophobicContact CD2-CG 3.58Å; L215-M244 HydrophobicContact CD2-SD 3.34Å; L215-M244 WeakPolarHBondContact CD2-SD 3.5Å; L215-M244 HydrophobicContact CG-CE 3.9Å; L215-M244 HydrophobicContact CG-SD 3.63Å
216I93.1Very high91.4Very high7 Ų729.1 Ų29.14%0.03616%0.161CC..Hα-helixtrans-60.1-46.1174-65.5168.8000110.2F212 M213 K218 L219 A220 F229 F262 V266 I269F212-I216 WeakPolarHBondContact O-CG1 3.49Å; F212-I216 PolarHBondContact O-N 3.46Å; F212-I216 VanDerWaalsContact O-N 3.09Å; M213-I216 PolarHBondContact O-N 3.33Å; M213-I216 HydrophobicContact SD-CD1 4.24Å; I216-K218 PolarHBondContact O-N 3.39Å; I216-L219 PolarHBondContact O-N 3.12Å; I216-A220 WeakPolarHBondContact O-CB 3.35Å; I216-A220 PolarHBondContact O-N 3.17Å; I216-F229 HydrophobicContact CD1-CD1 3.71Å; I216-F229 HydrophobicContact CD1-CE1 3.73Å; I216-F229 HydrophobicContact CD1-CG 4.44Å; I216-F229 HydrophobicContact CD1-CZ 4.46Å; I216-F229 HydrophobicContact CG1-CD1 3.85Å; I216-F229 HydrophobicContact CG1-CD2 4.47Å; I216-F229 HydrophobicContact CG1-CE1 3.68Å; I216-F229 HydrophobicContact CG1-CE2 4.31Å; I216-F229 HydrophobicContact CG1-CG 4.25Å; I216-F229 HydrophobicContact CG1-CZ 3.92Å; I216-F262 HydrophobicContact CG2-CD2 4.02Å; I216-F262 HydrophobicContact CG2-CE2 3.52Å; I216-F262 HydrophobicContact CG2-CZ 3.96Å; I216-V266 HydrophobicContact CD1-CG2 4.27Å; I216-V266 HydrophobicContact CG2-CG2 4.05Å; I216-I269 HydrophobicContact CD1-CG1 4.32Å
217V92.8Very high91.3Very high34 Ų3426.6 Ų26.621%0.20614%0.143CC..Hα-helixtrans-64.4-40.4176.9172.70000111.3M213 E214 L215 A220 N221 P285M213-V217 WeakPolarHBondContact O-CG2 3.25Å; M213-V217 PolarHBondContact O-N 2.96Å; M213-V217 VanDerWaalsContact O-N 3.09Å; E214-V217 PolarHBondContact O-N 3.21Å; L215-V217 VanDerWaalsContact C-N 3.34Å; V217-A220 PolarHBondContact O-N 3.33Å; V217-N221 WeakPolarHBondContact O-CB 3.4Å; V217-N221 PolarHBondContact O-N 3.21Å; V217-N221 PolarHBondContact O-ND2 3.36Å; V217-P285 HydrophobicContact CG2-CB 3.36Å; V217-P285 HydrophobicContact CG2-CG 3.7Å
218K92.4Very high91.2Very high74 Ų7427.1 Ų27.132%0.32214%0.139SC..Hα-helixtrans-63.6-43.2178.7-168.8-174.7172.5-178.70111.1F173 E214 L215 I216 N221 H222F173-K218 HydrophobicContact CD1-CD 4.11Å; F173-K218 HydrophobicContact CE1-CB 3.96Å; F173-K218 HydrophobicContact CE1-CD 3.57Å; F173-K218 HydrophobicContact CE1-CG 3.54Å; F173-K218 HydrophobicContact CZ-CB 4.4Å; F173-K218 HydrophobicContact CZ-CD 3.94Å; F173-K218 HydrophobicContact CZ-CG 3.64Å; E214-K218 VanDerWaalsContact O-CB 3.24Å; E214-K218 WeakPolarHBondContact O-CB 3.25Å; E214-K218 PolarHBondContact O-N 3.1Å; L215-K218 PolarHBondContact O-N 2.94Å; I216-K218 PolarHBondContact O-N 3.39Å; K218-N221 PolarHBondContact O-N 2.95Å; K218-H222 PolarHBondContact O-CD2 2.98Å; K218-H222 PolarHBondContact O-N 3.35Å
219L92.6Very high91.4Very high3 Ų326.8 Ų26.82%0.01614%0.137CC..Hα-helixtrans-58.7-49173-76.2173000111L168 F173 L215 I216 N221 H222 G223 L224 H226 M244 M250L168-L219 HydrophobicContact CD1-CD2 4.46Å; L168-L219 HydrophobicContact CD2-CD2 3.52Å; F173-L219 HydrophobicContact CD1-CD2 4.03Å; F173-L219 HydrophobicContact CD1-CG 4.45Å; F173-L219 HydrophobicContact CE1-CD2 3.71Å; F173-L219 HydrophobicContact CE1-CG 3.96Å; F173-L219 HydrophobicContact CZ-CD2 4.22Å; L215-L219 WeakPolarHBondContact O-CG 3.1Å; L215-L219 PolarHBondContact O-N 3.41Å; I216-L219 PolarHBondContact O-N 3.12Å; L219-N221 VanDerWaalsContact C-N 3.35Å; L219-N221 PolarHBondContact O-N 3.16Å; L219-H222 CarbonylContact O-C 3.41Å; L219-H222 WeakPolarHBondContact O-CA 3.49Å; L219-H222 WeakPolarHBondContact O-CB 3.46Å; L219-H222 PolarHBondContact O-N 2.9Å; L219-G223 PolarHBondContact O-N 2.95Å; L219-L224 CarbonylContact C-O 3.58Å; L219-L224 PolarHBondContact O-N 3Å; L219-H226 HydrophobicContact CD1-CB 4.35Å; L219-M244 HydrophobicContact CD1-CE 4.46Å; L219-M244 HydrophobicContact CD1-SD 3.88Å; L219-M244 HydrophobicContact CD2-CE 4.47Å; L219-M250 HydrophobicContact CD2-CE 4.05Å
220A91.4Very high91.3Very high1 Ų127.6 Ų27.61%0.00814%0.142CC..Hα-helixtrans-64.2-38.5-178.300000112.6I216 V217 H222 G223 L224 F262 I290I216-A220 WeakPolarHBondContact O-CB 3.35Å; I216-A220 PolarHBondContact O-N 3.17Å; V217-A220 PolarHBondContact O-N 3.33Å; A220-H222 PolarHBondContact O-N 2.77Å; A220-G223 WeakPolarHBondContact O-CA 3.32Å; A220-G223 PolarHBondContact O-N 3.41Å; A220-L224 VanDerWaalsContact CA-O 3.22Å; A220-L224 WeakPolarHBondContact CA-O 3.08Å; A220-L224 PolarHBondContact N-O 3.07Å; A220-L224 VanDerWaalsContact N-O 3.09Å; A220-F262 HydrophobicContact CB-CD2 4.03Å; A220-F262 HydrophobicContact CB-CE2 3.72Å; A220-I290 HydrophobicContact CB-CB 4.48Å; A220-I290 HydrophobicContact CB-CD1 3.65Å; A220-I290 HydrophobicContact CB-CG1 3.73Å; A220-I290 HydrophobicContact CB-CG2 3.9Å; A220-I290 WeakPolarHBondContact O-CG2 3.14Å
221N90.9Very high91.3Very high36 Ų3627 Ų2719%0.19313%0.132CC..Hα-helixtrans-62.2-28.2173.5-71.8-20.1000112.2V217 K218 L219 G223 R291 R292 S293 C294V217-N221 WeakPolarHBondContact O-CB 3.4Å; V217-N221 PolarHBondContact O-N 3.21Å; V217-N221 PolarHBondContact O-ND2 3.36Å; K218-N221 PolarHBondContact O-N 2.95Å; L219-N221 VanDerWaalsContact C-N 3.35Å; L219-N221 PolarHBondContact O-N 3.16Å; N221-G223 VanDerWaalsContact C-N 3.28Å; N221-R291 WeakPolarHBondContact CB-O 3.5Å; N221-R291 PolarHBondContact OD1-N 3.34Å; N221-R291 PolarHBondContact OD1-O 2.88Å; N221-R291 VanDerWaalsContact OD1-O 3.09Å; N221-R292 CarbonylContact O-C 3.56Å; N221-R292 WeakPolarHBondContact O-CA 3.21Å; N221-S293 PolarHBondContact O-N 2.92Å; N221-S293 PolarHBondContact O-OG 3.5Å; N221-C294 PolarHBondContact O-N 2.96Å
222H89.9Confident91.1Very high28 Ų2828.9 Ų28.913%0.1314%0.139CC..THydrogen-bonded Turntrans-86.87.4173.2-78.7-112.9000113.9F173 K218 L219 A220 C294 L296F173-H222 HydrophobicContact CZ-CB 4.42Å; F173-H222 AromaticContact CZ-CD2 3.92Å; F173-H222 AromaticContact CZ-CG 3.99Å; K218-H222 PolarHBondContact O-CD2 2.98Å; K218-H222 PolarHBondContact O-N 3.35Å; L219-H222 CarbonylContact O-C 3.41Å; L219-H222 WeakPolarHBondContact O-CA 3.49Å; L219-H222 WeakPolarHBondContact O-CB 3.46Å; L219-H222 PolarHBondContact O-N 2.9Å; A220-H222 PolarHBondContact O-N 2.77Å; H222-C294 CarbonylContact C-O 3.47Å; H222-C294 WeakPolarHBondContact CA-O 3.39Å; H222-C294 VanDerWaalsContact O-O 3.05Å; H222-L296 HydrophobicContact CB-CD1 3.72Å; H222-L296 HydrophobicContact CB-CG 4.13Å; H222-L296 WeakPolarHBondContact O-CB 3.33Å; H222-L296 PolarHBondContact O-N 2.92Å
223G89.2Confident91.1Very high0 Ų029.5 Ų29.50%014%0.143CC..THydrogen-bonded Turntrans8512.817600000114.5L219 A220 N221 S252 T253 C294L219-G223 PolarHBondContact O-N 2.95Å; A220-G223 WeakPolarHBondContact O-CA 3.32Å; A220-G223 PolarHBondContact O-N 3.41Å; N221-G223 VanDerWaalsContact C-N 3.28Å; G223-S252 WeakPolarHBondContact O-CA 3.49Å; G223-T253 WeakPolarHBondContact CA-OG1 3.28Å; G223-T253 PolarHBondContact O-N 3.49Å; G223-T253 PolarHBondContact O-OG1 3.4Å; G223-C294 PolarHBondContact N-O 3.28Å
224L91.6Very high91.1Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-121.7142-175.8-64.6177.5000112.1Y164 L168 L219 A220 M250 L296 D297Y164-L224 HydrophobicContact CD1-CD1 3.99Å; Y164-L224 HydrophobicContact CD1-CD2 4.24Å; Y164-L224 HydrophobicContact CE1-CD1 4.11Å; Y164-L224 HydrophobicContact CE1-CD2 3.52Å; Y164-L224 HydrophobicContact CE1-CG 4.49Å; L168-L224 HydrophobicContact CD2-CD1 4.24Å; L219-L224 CarbonylContact C-O 3.58Å; L219-L224 PolarHBondContact O-N 3Å; A220-L224 VanDerWaalsContact CA-O 3.22Å; A220-L224 WeakPolarHBondContact CA-O 3.08Å; A220-L224 PolarHBondContact N-O 3.07Å; A220-L224 VanDerWaalsContact N-O 3.09Å; L224-M250 HydrophobicContact CB-CE 3.8Å; L224-M250 HydrophobicContact CD1-CE 3.92Å; L224-M250 HydrophobicContact CG-CE 4.38Å; L224-L296 HydrophobicContact CD1-CB 3.68Å; L224-L296 HydrophobicContact CD1-CD1 3.93Å; L224-L296 HydrophobicContact CD1-CG 4.48Å; L224-L296 HydrophobicContact CG-CB 4.02Å; L224-D297 HydrophobicContact CD2-CB 3.87Å
225I91.6Very high91.1Very high5 Ų523.6 Ų23.63%0.02612%0.115CC..EExtended strand (participates in β ladder)trans-120.3136.6169.1-58.9158.4000106.7M250 V251 T253 A258 F262 F287I225-M250 VanDerWaalsContact O-CA 3.3Å; I225-M250 WeakPolarHBondContact O-CA 3.3Å; I225-V251 HydrophobicContact CB-CG2 3.73Å; I225-V251 HydrophobicContact CD1-CG2 4.23Å; I225-V251 HydrophobicContact CG2-CG2 4.21Å; I225-V251 PolarHBondContact N-O 3.42Å; I225-V251 PolarHBondContact O-N 3.5Å; I225-T253 HydrophobicContact CD1-CG2 4.14Å; I225-T253 HydrophobicContact CG1-CG2 3.98Å; I225-A258 HydrophobicContact CD1-CB 3.66Å; I225-A258 VanDerWaalsContact CD1-O 3.32Å; I225-A258 WeakPolarHBondContact CD1-O 3.35Å; I225-F262 HydrophobicContact CD1-CB 4.37Å; I225-F287 HydrophobicContact CD1-CE2 4.18Å
226H91Very high91.1Very high3 Ų323.2 Ų23.21%0.01411%0.113CC..  trans-65.1-43.2-175.7-167.7-68000111.4L219 D228 F229 I245 D246 Q249 M250L219-H226 HydrophobicContact CD1-CB 4.35Å; H226-D228 PolarHBondContact ND1-N 3.39Å; H226-D228 PolarHBondContact O-N 3.01Å; H226-F229 HydrophobicContact CB-CB 4.08Å; H226-F229 HydrophobicContact CB-CD2 3.89Å; H226-F229 HydrophobicContact CB-CG 4.47Å; H226-F229 AromaticContact CD2-CD2 3.8Å; H226-F229 AromaticContact CG-CD2 3.85Å; H226-I245 PolarHBondContact NE2-O 3.03Å; H226-D246 PolarHBondContact CE1-O 3.18Å; H226-Q249 CarbonylContact O-C 3Å; H226-M250 WeakPolarHBondContact O-CA 3.36Å; H226-M250 PolarHBondContact O-N 3.27Å
227G85.9Confident90.8Very high1 Ų124.6 Ų24.61%0.0112%0.121CC..SBendtrans72.411.4176.200000113.7R264 D265G227-R264 PolarHBondContact O-NH2 3.48Å; G227-D265 PolarHBondContact N-OD2 2.95Å
228D88.7Confident90.5Very high61 Ų6129.1 Ų29.133%0.32614%0.144SC..  trans-16650165.5-16723.3000109.9H226 N230 N233 Q249 D265H226-D228 PolarHBondContact ND1-N 3.39Å; H226-D228 PolarHBondContact O-N 3.01Å; D228-N230 VanDerWaalsContact CG-ND2 3.26Å; D228-N230 PolarHBondContact O-N 3.37Å; D228-N230 VanDerWaalsContact O-N 3.13Å; D228-N230 PolarHBondContact OD1-ND2 3.38Å; D228-N230 PolarHBondContact OD2-ND2 2.98Å; D228-N233 PolarHBondContact O-ND2 3.16Å; D228-N233 PolarHBondContact OD2-ND2 2.76Å; D228-Q249 HydrophobicContact CB-CB 4.39Å; D228-D265 PolarHBondContact N-OD1 3.41Å
229F92.1Very high90Very high1 Ų132.7 Ų32.70%0.00416%0.162CC..  trans-81.993.2-175.1-158.2-95.8000110.7F212 L215 I216 H226 L234 M244 D265 C268 I269F212-F229 HydrophobicContact CD1-CE1 4.28Å; F212-F229 HydrophobicContact CD1-CZ 4.24Å; L215-F229 HydrophobicContact CD2-CZ 4.31Å; I216-F229 HydrophobicContact CD1-CD1 3.71Å; I216-F229 HydrophobicContact CD1-CE1 3.73Å; I216-F229 HydrophobicContact CD1-CG 4.44Å; I216-F229 HydrophobicContact CD1-CZ 4.46Å; I216-F229 HydrophobicContact CG1-CD1 3.85Å; I216-F229 HydrophobicContact CG1-CD2 4.47Å; I216-F229 HydrophobicContact CG1-CE1 3.68Å; I216-F229 HydrophobicContact CG1-CE2 4.31Å; I216-F229 HydrophobicContact CG1-CG 4.25Å; I216-F229 HydrophobicContact CG1-CZ 3.92Å; H226-F229 HydrophobicContact CB-CB 4.08Å; H226-F229 HydrophobicContact CB-CD2 3.89Å; H226-F229 HydrophobicContact CB-CG 4.47Å; H226-F229 AromaticContact CD2-CD2 3.8Å; H226-F229 AromaticContact CG-CD2 3.85Å; F229-L234 HydrophobicContact CD1-CD1 4.16Å; F229-L234 HydrophobicContact CD2-CD2 4.45Å; F229-L234 HydrophobicContact CE1-CD1 3.69Å; F229-L234 HydrophobicContact CE1-CD2 4.13Å; F229-L234 HydrophobicContact CE1-CG 4.45Å; F229-L234 HydrophobicContact CE2-CD2 3.75Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CD2 3.57Å; F229-L234 HydrophobicContact CZ-CG 4.35Å; F229-M244 HydrophobicContact CE2-CG 4.13Å; F229-M244 HydrophobicContact CE2-SD 3.73Å; F229-D265 HydrophobicContact CB-CB 3.61Å; F229-D265 VanDerWaalsContact CB-CG 3.46Å; F229-D265 PolarHBondContact N-OD1 3.23Å; F229-D265 VanDerWaalsContact N-OD1 3.12Å; F229-C268 WeakPolarHBondContact O-CB 3.26Å; F229-I269 HydrophobicContact CD1-CD1 3.61Å; F229-I269 HydrophobicContact CD1-CG1 3.5Å; F229-I269 VanDerWaalsContact CD1-CG1 3.5Å; F229-I269 HydrophobicContact CE1-CD1 3.7Å; F229-I269 HydrophobicContact CE1-CG1 3.67Å
230N90.4Very high89.6Confident22 Ų2234.8 Ų34.812%0.11817%0.173CC..SBendtrans-135172.7-172.468.343.3000112.4D228 F232 N233 L234D228-N230 VanDerWaalsContact CG-ND2 3.26Å; D228-N230 PolarHBondContact O-N 3.37Å; D228-N230 VanDerWaalsContact O-N 3.13Å; D228-N230 PolarHBondContact OD1-ND2 3.38Å; D228-N230 PolarHBondContact OD2-ND2 2.98Å; N230-F232 PolarHBondContact O-N 3.26Å; N230-F232 VanDerWaalsContact O-N 3.11Å; N230-F232 WeakPolarHBondContact OD1-CA 3.47Å; N230-F232 WeakPolarHBondContact OD1-CB 3.31Å; N230-F232 PolarHBondContact OD1-N 3.02Å; N230-N233 PolarHBondContact ND2-ND2 2.97Å; N230-N233 PolarHBondContact O-N 3.38Å; N230-N233 PolarHBondContact OD1-N 3.16Å; N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 3.34Å
231E90.1Very high89.4Confident49 Ų4939 Ų3923%0.22919%0.192CC..THydrogen-bonded Turntrans-67.3-7.8-177.970.4-89-151.800115.4L196 C197 F272L196-E231 HydrophobicContact CB-CB 4.29Å; L196-E231 WeakPolarHBondContact CB-O 3.07Å; L196-E231 HydrophobicContact CD2-CB 4.29Å; L196-E231 HydrophobicContact CG-CB 4.41Å; L196-E231 PolarHBondContact N-O 2.95Å; C197-E231 HydrophobicContact CB-CB 4.32Å; C197-E231 HydrophobicContact CB-CG 3.73Å; C197-E231 PolarHBondContact N-O 2.71Å; C197-E231 VanDerWaalsContact N-O 3.07Å; E231-F272 HydrophobicContact CB-CD1 4.38Å; E231-F272 HydrophobicContact CB-CD2 3.58Å; E231-F272 HydrophobicContact CB-CE1 4.31Å; E231-F272 HydrophobicContact CB-CE2 3.5Å; E231-F272 VanDerWaalsContact CB-CE2 3.5Å; E231-F272 HydrophobicContact CB-CG 4.04Å; E231-F272 HydrophobicContact CB-CZ 3.9Å; E231-F272 HydrophobicContact CG-CD2 3.73Å; E231-F272 HydrophobicContact CG-CE2 3.69Å
232F89.2Confident89.4Confident118 Ų11837.3 Ų37.352%0.51818%0.183SC..THydrogen-bonded Turntrans-95.5-26.2176.2-56.3-81.4000112.2C197 N230C197-F232 HydrophobicContact CB-CD1 4.13Å; C197-F232 HydrophobicContact CB-CE1 3.86Å; C197-F232 HydrophobicContact CB-CZ 4.37Å; C197-F232 VanDerWaalsContact SG-CD1 3.59Å; N230-F232 PolarHBondContact O-N 3.26Å; N230-F232 VanDerWaalsContact O-N 3.11Å; N230-F232 WeakPolarHBondContact OD1-CA 3.47Å; N230-F232 WeakPolarHBondContact OD1-CB 3.31Å; N230-F232 PolarHBondContact OD1-N 3.02Å
233N92.5Very high89.6Confident14 Ų1436.5 Ų36.58%0.07518%0.18CC..SBendtrans-94.74.1-179.5-67.1-21.3000113D228 N230 I245D228-N233 PolarHBondContact O-ND2 3.16Å; D228-N233 PolarHBondContact OD2-ND2 2.76Å; N230-N233 PolarHBondContact ND2-ND2 2.97Å; N230-N233 PolarHBondContact O-N 3.38Å; N230-N233 PolarHBondContact OD1-N 3.16Å; N233-I245 VanDerWaalsContact O-CG1 3.24Å; N233-I245 WeakPolarHBondContact O-CG1 3.46Å; N233-I245 PolarHBondContact O-N 3.36Å
234L92.5Very high89.9Confident1 Ų136.5 Ų36.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-117.1125.1176.3-62.2168.3000108.9P195 L196 F212 F229 N230 I242 M244 I269P195-L234 WeakPolarHBondContact CA-O 3.45Å; L196-L234 HydrophobicContact CB-CB 4.27Å; L196-L234 HydrophobicContact CD2-CB 4.45Å; L196-L234 HydrophobicContact CD2-CD1 4.25Å; L196-L234 PolarHBondContact N-O 3.26Å; F212-L234 HydrophobicContact CD1-CD1 3.86Å; F212-L234 HydrophobicContact CD1-CD2 4.32Å; F212-L234 HydrophobicContact CE1-CB 4.17Å; F212-L234 HydrophobicContact CE1-CD1 3.58Å; F212-L234 HydrophobicContact CE1-CD2 3.98Å; F212-L234 HydrophobicContact CE1-CG 4.11Å; F212-L234 HydrophobicContact CZ-CD1 4.23Å; F229-L234 HydrophobicContact CD1-CD1 4.16Å; F229-L234 HydrophobicContact CD2-CD2 4.45Å; F229-L234 HydrophobicContact CE1-CD1 3.69Å; F229-L234 HydrophobicContact CE1-CD2 4.13Å; F229-L234 HydrophobicContact CE1-CG 4.45Å; F229-L234 HydrophobicContact CE2-CD2 3.75Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CD2 3.57Å; F229-L234 HydrophobicContact CZ-CG 4.35Å; N230-L234 WeakPolarHBondContact O-CG 3.48Å; N230-L234 PolarHBondContact O-N 3.34Å; L234-I242 HydrophobicContact CD2-CG2 4.36Å; L234-M244 HydrophobicContact CD2-CG 3.87Å; L234-I269 HydrophobicContact CD1-CD1 3.55Å
235M92.3Very high89.9Confident25 Ų2538.2 Ų38.212%0.12319%0.189CC..EExtended strand (participates in β ladder)trans-111.8147.3174.4-51.6-157-25.400110.7I191 Y194 I242 T243 I245I191-M235 HydrophobicContact CB-CE 3.45Å; I191-M235 VanDerWaalsContact CB-CE 3.45Å; I191-M235 HydrophobicContact CG1-CE 4.42Å; I191-M235 HydrophobicContact CG2-CE 3.36Å; Y194-M235 WeakPolarHBondContact O-CA 3.3Å; M235-I242 CarbonylContact O-C 3.48Å; M235-T243 PolarHBondContact N-O 3.39Å; M235-T243 PolarHBondContact O-N 3.37Å; M235-I245 HydrophobicContact CG-CD1 4.09Å; M235-I245 HydrophobicContact CG-CG1 4.43Å; M235-I245 HydrophobicContact SD-CD1 4.11Å
236L91.9Very high89.8Confident4 Ų439.5 Ų39.52%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-117.4135.7172.6-67176.5000109.6G193 Y194 L196 V199 L202 L208 F212 H241 I242G193-L236 CarbonylContact C-O 3.59Å; G193-L236 WeakPolarHBondContact CA-O 3.25Å; Y194-L236 PolarHBondContact N-O 3.46Å; Y194-L236 PolarHBondContact O-N 3.42Å; L196-L236 HydrophobicContact CD1-CD1 3.46Å; L196-L236 VanDerWaalsContact CD1-CD1 3.46Å; L196-L236 HydrophobicContact CD1-CG 4.18Å; V199-L236 HydrophobicContact CG1-CD1 4.4Å; V199-L236 HydrophobicContact CG2-CD1 4.16Å; L202-L236 HydrophobicContact CD2-CD1 3.75Å; L208-L236 HydrophobicContact CD1-CD2 4.04Å; L208-L236 HydrophobicContact CD2-CD1 4.05Å; L208-L236 HydrophobicContact CD2-CD2 4.4Å; F212-L236 HydrophobicContact CZ-CD2 4.44Å; L236-H241 WeakPolarHBondContact CA-O 3.47Å; L236-I242 HydrophobicContact CD2-CB 4.44Å; L236-I242 HydrophobicContact CD2-CG1 3.72Å
237D88.7Confident89.7Confident37 Ų3739.4 Ų39.420%0.19820%0.195CC..  trans-83.2178.2167738.3000111.6Q239 D240 H241D237-Q239 PolarHBondContact O-N 2.95Å; D237-Q239 VanDerWaalsContact O-N 3.16Å; D237-Q239 VanDerWaalsContact OD1-CA 3.27Å; D237-Q239 WeakPolarHBondContact OD1-CA 3.48Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.34Å; D237-Q239 PolarHBondContact OD1-N 3.14Å; D237-Q239 PolarHBondContact OD2-OE1 3.37Å; D237-D240 PolarHBondContact O-N 3.46Å; D237-D240 VanDerWaalsContact O-N 3.15Å; D237-D240 PolarHBondContact OD1-N 3.03Å; D237-H241 VanDerWaalsContact CG-CB 3.44Å; D237-H241 PolarHBondContact N-O 3.34Å; D237-H241 WeakPolarHBondContact OD1-CA 3.12Å; D237-H241 VanDerWaalsContact OD1-CB 3.32Å; D237-H241 WeakPolarHBondContact OD1-CB 3.49Å; D237-H241 PolarHBondContact OD1-N 2.98Å; D237-H241 WeakPolarHBondContact OD2-CB 2.99Å
238D85.5Confident89.5Confident128 Ų12839.4 Ų39.468%0.68420%0.195SC*.THydrogen-bonded Turntrans-66.8-11.3179.2-65.4-31.5000113.1
239Q82.6Confident89.2Confident150 Ų15038.2 Ų38.270%0.70119%0.188SC*.THydrogen-bonded Turntrans-102.714177.3-63.290-7.200112.7D237 H241D237-Q239 PolarHBondContact O-N 2.95Å; D237-Q239 VanDerWaalsContact O-N 3.16Å; D237-Q239 VanDerWaalsContact OD1-CA 3.27Å; D237-Q239 WeakPolarHBondContact OD1-CA 3.48Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.34Å; D237-Q239 PolarHBondContact OD1-N 3.14Å; D237-Q239 PolarHBondContact OD2-OE1 3.37Å; Q239-H241 PolarHBondContact O-N 3.5Å
240D82.5Confident89Confident47 Ų4738.1 Ų38.125%0.25119%0.188SC..  trans61.120.4-176.3-64-38000114.1D237 I242D237-D240 PolarHBondContact O-N 3.46Å; D237-D240 VanDerWaalsContact O-N 3.15Å; D237-D240 PolarHBondContact OD1-N 3.03Å; D240-I242 PolarHBondContact O-N 3.28Å
241H87.4Confident88.8Confident90 Ų9037.2 Ų37.242%0.41718%0.183SC..  trans-74.8126.2173.5-169.855.9000111L236 D237 Q239L236-H241 WeakPolarHBondContact CA-O 3.47Å; D237-H241 VanDerWaalsContact CG-CB 3.44Å; D237-H241 PolarHBondContact N-O 3.34Å; D237-H241 WeakPolarHBondContact OD1-CA 3.12Å; D237-H241 VanDerWaalsContact OD1-CB 3.32Å; D237-H241 WeakPolarHBondContact OD1-CB 3.49Å; D237-H241 PolarHBondContact OD1-N 2.98Å; D237-H241 WeakPolarHBondContact OD2-CB 2.99Å; Q239-H241 PolarHBondContact O-N 3.5Å
242I91.9Very high88.7Confident0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-75.5135.6177.7-61.7165.1000109.6P174 L208 E211 F212 L215 L234 M235 L236 D240P174-I242 WeakPolarHBondContact CB-O 3.22Å; L208-I242 HydrophobicContact CD1-CD1 3.7Å; L208-I242 HydrophobicContact CD1-CG1 3.71Å; L208-I242 HydrophobicContact CG-CD1 4.41Å; E211-I242 HydrophobicContact CB-CD1 3.87Å; E211-I242 HydrophobicContact CG-CD1 3.71Å; F212-I242 HydrophobicContact CD1-CD1 3.61Å; F212-I242 HydrophobicContact CD1-CG1 4.28Å; F212-I242 HydrophobicContact CD1-CG2 4.12Å; F212-I242 HydrophobicContact CD2-CD1 4.3Å; F212-I242 HydrophobicContact CE1-CB 4.21Å; F212-I242 HydrophobicContact CE1-CD1 3.46Å; F212-I242 VanDerWaalsContact CE1-CD1 3.46Å; F212-I242 HydrophobicContact CE1-CG1 3.62Å; F212-I242 HydrophobicContact CE1-CG2 3.51Å; F212-I242 HydrophobicContact CE2-CD1 4.19Å; F212-I242 HydrophobicContact CG-CD1 4.02Å; F212-I242 HydrophobicContact CZ-CD1 3.77Å; F212-I242 HydrophobicContact CZ-CG1 3.78Å; F212-I242 HydrophobicContact CZ-CG2 4.38Å; L215-I242 HydrophobicContact CD2-CG2 4.12Å; L234-I242 HydrophobicContact CD2-CG2 4.36Å; M235-I242 CarbonylContact O-C 3.48Å; L236-I242 HydrophobicContact CD2-CB 4.44Å; L236-I242 HydrophobicContact CD2-CG1 3.72Å; D240-I242 PolarHBondContact O-N 3.28Å
243T94.4Very high88.6Confident10 Ų1031.5 Ų31.56%0.06116%0.162CC..EExtended strand (participates in β ladder)trans-128.9126.5165.2-58.60000110P176 I191 M235P176-T243 HydrophobicContact CG-CG2 4.12Å; I191-T243 HydrophobicContact CD1-CG2 4.43Å; I191-T243 HydrophobicContact CG1-CG2 4.18Å; I191-T243 HydrophobicContact CG2-CG2 4.48Å; M235-T243 PolarHBondContact N-O 3.39Å; M235-T243 PolarHBondContact O-N 3.37Å
244M94.8Very high88.3Confident0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-86.4143.3174.9-62.6178.8-68.700111.1F173 P174 V175 P176 L215 L219 F229 L234 F247F173-M244 HydrophobicContact CB-CE 4.22Å; F173-M244 HydrophobicContact CD1-CE 4.01Å; P174-M244 HydrophobicContact CG-CE 4.39Å; P174-M244 PolarHBondContact O-N 3.17Å; V175-M244 HydrophobicContact CG1-CB 4.38Å; V175-M244 HydrophobicContact CG1-CE 3.94Å; P176-M244 VanDerWaalsContact CD-O 3.24Å; P176-M244 WeakPolarHBondContact CD-O 3.09Å; L215-M244 HydrophobicContact CD1-CE 3.75Å; L215-M244 HydrophobicContact CD1-SD 4.2Å; L215-M244 HydrophobicContact CD2-CE 3.83Å; L215-M244 HydrophobicContact CD2-CG 3.58Å; L215-M244 HydrophobicContact CD2-SD 3.34Å; L215-M244 WeakPolarHBondContact CD2-SD 3.5Å; L215-M244 HydrophobicContact CG-CE 3.9Å; L215-M244 HydrophobicContact CG-SD 3.63Å; L219-M244 HydrophobicContact CD1-CE 4.46Å; L219-M244 HydrophobicContact CD1-SD 3.88Å; L219-M244 HydrophobicContact CD2-CE 4.47Å; F229-M244 HydrophobicContact CE2-CG 4.13Å; F229-M244 HydrophobicContact CE2-SD 3.73Å; L234-M244 HydrophobicContact CD2-CG 3.87Å; M244-F247 HydrophobicContact CB-CE1 4Å; M244-F247 HydrophobicContact CB-CZ 4.17Å; M244-F247 WeakPolarHBondContact O-CZ 3.36Å
245I92.7Very high87.9Confident37 Ų3737.5 Ų37.519%0.1920%0.199CC..  trans-136.5164.8174.557.3164.2000111P176 H226 N233 M235P176-I245 HydrophobicContact CG-CG2 3.82Å; H226-I245 PolarHBondContact NE2-O 3.03Å; N233-I245 VanDerWaalsContact O-CG1 3.24Å; N233-I245 WeakPolarHBondContact O-CG1 3.46Å; N233-I245 PolarHBondContact O-N 3.36Å; M235-I245 HydrophobicContact CG-CD1 4.09Å; M235-I245 HydrophobicContact CG-CG1 4.43Å; M235-I245 HydrophobicContact SD-CD1 4.11Å
246D88.8Confident87.5Confident32 Ų3242 Ų4217%0.17123%0.228CC..  trans70.279.9174.9-149.412.2000115.5K123 H226 P248K123-D246 IonicContact NZ-OD1 2.64Å; K123-D246 PolarHBondContact NZ-OD1 2.93Å; H226-D246 PolarHBondContact CE1-O 3.18Å; D246-P248 WeakPolarHBondContact OD1-CD 3.18Å; D246-P248 VanDerWaalsContact OD1-CG 3.32Å; D246-P248 WeakPolarHBondContact OD1-CG 3.16Å
247F88.3Confident87.2Confident0 Ų043.2 Ų43.20%023%0.234CC..  trans-97.57.3-177.4-47.4-63.5000118.3E161 Y164 M165 L168 V175 M244 Q249 M250E161-F247 HydrophobicContact CG-CB 4.35Å; E161-F247 HydrophobicContact CG-CD2 4.3Å; Y164-F247 HydrophobicContact CG-CB 4.47Å; M165-F247 HydrophobicContact CB-CD2 3.89Å; M165-F247 HydrophobicContact CB-CE2 4.02Å; M165-F247 HydrophobicContact CE-CD2 4.1Å; M165-F247 HydrophobicContact CE-CE2 4.02Å; M165-F247 HydrophobicContact CG-CD2 4.37Å; M165-F247 HydrophobicContact CG-CE2 4.02Å; L168-F247 HydrophobicContact CD1-CD1 3.83Å; L168-F247 HydrophobicContact CD1-CE1 3.76Å; L168-F247 HydrophobicContact CD1-CG 4.32Å; L168-F247 HydrophobicContact CD1-CZ 4.2Å; V175-F247 HydrophobicContact CB-CE2 4.28Å; V175-F247 HydrophobicContact CB-CZ 3.91Å; V175-F247 HydrophobicContact CG1-CE1 4.11Å; V175-F247 HydrophobicContact CG1-CE2 4.25Å; V175-F247 HydrophobicContact CG1-CZ 3.47Å; V175-F247 VanDerWaalsContact CG1-CZ 3.47Å; M244-F247 HydrophobicContact CB-CE1 4Å; M244-F247 HydrophobicContact CB-CZ 4.17Å; M244-F247 WeakPolarHBondContact O-CZ 3.36Å; F247-Q249 PolarHBondContact O-N 3.35Å; F247-M250 HydrophobicContact CB-CG 4.06Å; F247-M250 HydrophobicContact CB-SD 3.72Å; F247-M250 HydrophobicContact CD1-SD 3.8Å; F247-M250 HydrophobicContact CG-SD 4.11Å; F247-M250 WeakPolarHBondContact O-CG 3.38Å; F247-M250 PolarHBondContact O-N 3.1Å
248P81.6Confident87.2Confident2 Ų241.5 Ų41.51%0.01323%0.226CC..THydrogen-bonded Turntrans-70.4-21.5-177.230.2-33.3000112.8S157 K160 D246S157-P248 WeakPolarHBondContact OG-CB 3.14Å; K160-P248 VanDerWaalsContact CD-O 3.25Å; K160-P248 WeakPolarHBondContact CD-O 3.31Å; K160-P248 WeakPolarHBondContact CE-O 3.28Å; K160-P248 PolarHBondContact NZ-O 3.41Å; D246-P248 WeakPolarHBondContact OD1-CD 3.18Å; D246-P248 VanDerWaalsContact OD1-CG 3.32Å; D246-P248 WeakPolarHBondContact OD1-CG 3.16Å
249Q83.4Confident87.4Confident35 Ų3539.9 Ų39.916%0.16421%0.214CC..THydrogen-bonded Turntrans-89.83.1-178.9-60.1-55.8-38.100114H226 D228 F247 L316 P318H226-Q249 CarbonylContact O-C 3Å; D228-Q249 HydrophobicContact CB-CB 4.39Å; F247-Q249 PolarHBondContact O-N 3.35Å; Q249-L316 PolarHBondContact OE1-O 3.43Å; Q249-P318 HydrophobicContact CB-CG 4.35Å
250M87.8Confident87.8Confident0 Ų037.4 Ų37.40%020%0.198CC..  trans-61.2142.5179.8-64.3-170.588.500111.8K160 Y164 L168 L219 L224 I225 H226 F247K160-M250 WeakPolarHBondContact CE-O 3.38Å; K160-M250 PolarHBondContact NZ-O 3.29Å; Y164-M250 HydrophobicContact CD1-CB 4.47Å; Y164-M250 HydrophobicContact CD1-SD 3.78Å; Y164-M250 HydrophobicContact CD2-CB 4.11Å; Y164-M250 HydrophobicContact CD2-CG 4.47Å; Y164-M250 HydrophobicContact CD2-SD 4.19Å; Y164-M250 HydrophobicContact CE1-CB 4.33Å; Y164-M250 HydrophobicContact CE1-SD 4.46Å; Y164-M250 HydrophobicContact CE2-CB 3.96Å; Y164-M250 HydrophobicContact CG-CB 4.38Å; Y164-M250 HydrophobicContact CG-CG 4.48Å; Y164-M250 HydrophobicContact CG-SD 3.64Å; L168-M250 HydrophobicContact CD1-CE 4.14Å; L168-M250 HydrophobicContact CD1-SD 4.07Å; L219-M250 HydrophobicContact CD2-CE 4.05Å; L224-M250 HydrophobicContact CB-CE 3.8Å; L224-M250 HydrophobicContact CD1-CE 3.92Å; L224-M250 HydrophobicContact CG-CE 4.38Å; I225-M250 VanDerWaalsContact O-CA 3.3Å; I225-M250 WeakPolarHBondContact O-CA 3.3Å; H226-M250 WeakPolarHBondContact O-CA 3.36Å; H226-M250 PolarHBondContact O-N 3.27Å; F247-M250 HydrophobicContact CB-CG 4.06Å; F247-M250 HydrophobicContact CB-SD 3.72Å; F247-M250 HydrophobicContact CD1-SD 3.8Å; F247-M250 HydrophobicContact CG-SD 4.11Å; F247-M250 WeakPolarHBondContact O-CG 3.38Å; F247-M250 PolarHBondContact O-N 3.1Å
251V85.6Confident88.2Confident2 Ų235.4 Ų35.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-129.2152.3-179.9-59.10000110.9I225 Y261 P318I225-V251 HydrophobicContact CB-CG2 3.73Å; I225-V251 HydrophobicContact CD1-CG2 4.23Å; I225-V251 HydrophobicContact CG2-CG2 4.21Å; I225-V251 PolarHBondContact N-O 3.42Å; I225-V251 PolarHBondContact O-N 3.5Å; V251-Y261 HydrophobicContact CG1-CD2 4.49Å; V251-Y261 HydrophobicContact CG1-CE2 4.37Å; V251-Y261 HydrophobicContact CG2-CD2 3.78Å; V251-Y261 HydrophobicContact CG2-CE2 4.42Å; V251-Y261 HydrophobicContact CG2-CG 4.13Å; V251-P318 HydrophobicContact CG1-CG 4.49Å
252S87.9Confident88.4Confident28 Ų2831.1 Ų31.120%0.19617%0.167CC..EExtended strand (participates in β ladder)trans-73.4146.8174.4170.40000110.7G223 S254 H255 D297G223-S252 WeakPolarHBondContact O-CA 3.49Å; S252-S254 PolarHBondContact O-N 2.71Å; S252-S254 PolarHBondContact OG-N 3.5Å; S252-H255 VanDerWaalsContact O-CB 3.25Å; S252-H255 WeakPolarHBondContact O-CB 3.3Å; S252-H255 PolarHBondContact O-N 3.31Å; S252-H255 VanDerWaalsContact O-N 3.12Å; S252-D297 PolarHBondContact OG-OD2 3.36Å
253T87.1Confident88.4Confident19 Ų1934.5 Ų34.512%0.11719%0.185CC..THydrogen-bonded Turntrans-62.5-15.1168.752.60000113.8G223 I225 H255 A258G223-T253 WeakPolarHBondContact CA-OG1 3.28Å; G223-T253 PolarHBondContact O-N 3.49Å; G223-T253 PolarHBondContact O-OG1 3.4Å; I225-T253 HydrophobicContact CD1-CG2 4.14Å; I225-T253 HydrophobicContact CG1-CG2 3.98Å; T253-H255 VanDerWaalsContact C-N 3.33Å; T253-A258 WeakPolarHBondContact O-CB 3.45Å
254S85.8Confident88.3Confident86 Ų8636.9 Ų36.960%0.60119%0.193SC*.THydrogen-bonded Turntrans-86.2-2.2176.1-70.90000113.6S252 R292S252-S254 PolarHBondContact O-N 2.71Å; S252-S254 PolarHBondContact OG-N 3.5Å; S254-R292 PolarHBondContact OG-NH1 3.45Å
255H84.2Confident88.3Confident56 Ų5637 Ų3726%0.25919%0.194SC..SBendtrans-67.5147.9176.6-171.3-82.2000111.2S252 T253 N257 A258S252-H255 VanDerWaalsContact O-CB 3.25Å; S252-H255 WeakPolarHBondContact O-CB 3.3Å; S252-H255 PolarHBondContact O-N 3.31Å; S252-H255 VanDerWaalsContact O-N 3.12Å; T253-H255 VanDerWaalsContact C-N 3.33Å; H255-N257 VanDerWaalsContact C-N 3.32Å; H255-N257 PolarHBondContact ND1-N 3.15Å; H255-N257 PolarHBondContact O-N 3.05Å; H255-A258 HydrophobicContact CB-CB 4.32Å; H255-A258 WeakPolarHBondContact O-CB 3.44Å; H255-A258 PolarHBondContact O-N 2.89Å
256T84.9Confident88.3Confident120 Ų12035.4 Ų35.474%0.73619%0.186SC*.THydrogen-bonded Turntrans-53.5-49.3179.951.60000111.9A258T256-A258 VanDerWaalsContact C-N 3.31Å; T256-A258 PolarHBondContact O-N 2.75Å
257N85.9Confident88.5Confident28 Ų2839.9 Ų39.915%0.1520%0.204CC..THydrogen-bonded Turntrans-88.119.1179.8-65-31000114.7H255 E259 W260 Y261 E322H255-N257 VanDerWaalsContact C-N 3.32Å; H255-N257 PolarHBondContact ND1-N 3.15Å; H255-N257 PolarHBondContact O-N 3.05Å; N257-E259 PolarHBondContact O-N 2.85Å; N257-W260 PolarHBondContact O-N 2.61Å; N257-Y261 HydrophobicContact CB-CD2 4.32Å; N257-Y261 HydrophobicContact CB-CE2 3.94Å; N257-Y261 WeakPolarHBondContact O-CD2 3.22Å; N257-Y261 PolarHBondContact O-N 2.64Å; N257-Y261 VanDerWaalsContact O-N 3.16Å; N257-E322 PolarHBondContact ND2-OE2 3.31Å
258A87.4Confident88.8Confident2 Ų242 Ų422%0.01722%0.218CC..Hα-helixtrans-58.4-43.4-177.900000113.3I225 T253 H255 T256 W260 Y261 F262 F287I225-A258 HydrophobicContact CD1-CB 3.66Å; I225-A258 VanDerWaalsContact CD1-O 3.32Å; I225-A258 WeakPolarHBondContact CD1-O 3.35Å; T253-A258 WeakPolarHBondContact O-CB 3.45Å; H255-A258 HydrophobicContact CB-CB 4.32Å; H255-A258 WeakPolarHBondContact O-CB 3.44Å; H255-A258 PolarHBondContact O-N 2.89Å; T256-A258 VanDerWaalsContact C-N 3.31Å; T256-A258 PolarHBondContact O-N 2.75Å; A258-W260 VanDerWaalsContact C-N 3.31Å; A258-W260 PolarHBondContact O-N 3.23Å; A258-Y261 PolarHBondContact O-N 3.07Å; A258-F262 PolarHBondContact O-N 3.45Å; A258-F287 HydrophobicContact CB-CE2 3.99Å; A258-F287 HydrophobicContact CB-CZ 3.93Å
259E90.5Very high89.3Confident93 Ų9341.9 Ų41.944%0.43522%0.218SC..Hα-helixtrans-59.1-43.2178.5-178.3166.4-159.800111.3N257 F262 D263 F287N257-E259 PolarHBondContact O-N 2.85Å; E259-F262 PolarHBondContact O-N 2.67Å; E259-D263 WeakPolarHBondContact O-CB 3.45Å; E259-D263 PolarHBondContact O-N 3.13Å; E259-F287 HydrophobicContact CB-CB 4.28Å; E259-F287 HydrophobicContact CB-CD1 3.91Å; E259-F287 HydrophobicContact CB-CD2 4.4Å; E259-F287 HydrophobicContact CB-CE1 4.37Å; E259-F287 HydrophobicContact CB-CG 3.94Å; E259-F287 HydrophobicContact CG-CB 3.83Å; E259-F287 HydrophobicContact CG-CD1 4.14Å; E259-F287 HydrophobicContact CG-CG 4.04Å
260W90.3Very high89.8Confident99 Ų9944.5 Ų44.538%0.37523%0.226SC..Hα-helixtrans-63.9-43.7177.8-17490.8000112.7N257 A258 R264 P321N257-W260 PolarHBondContact O-N 2.61Å; A258-W260 VanDerWaalsContact C-N 3.31Å; A258-W260 PolarHBondContact O-N 3.23Å; W260-R264 VanDerWaalsContact O-CB 3.26Å; W260-R264 WeakPolarHBondContact O-CB 3.28Å; W260-R264 PolarHBondContact O-N 2.66Å; W260-P321 HydrophobicContact CD2-CG 4.11Å; W260-P321 HydrophobicContact CG-CG 3.99Å
261Y90.6Very high90Very high4 Ų448.7 Ų48.72%0.01625%0.248CC..Hα-helixtrans-63.6-42.1177.6-71-58.7000112.1V251 N257 A258 R264 D265 P318V251-Y261 HydrophobicContact CG1-CD2 4.49Å; V251-Y261 HydrophobicContact CG1-CE2 4.37Å; V251-Y261 HydrophobicContact CG2-CD2 3.78Å; V251-Y261 HydrophobicContact CG2-CE2 4.42Å; V251-Y261 HydrophobicContact CG2-CG 4.13Å; N257-Y261 HydrophobicContact CB-CD2 4.32Å; N257-Y261 HydrophobicContact CB-CE2 3.94Å; N257-Y261 WeakPolarHBondContact O-CD2 3.22Å; N257-Y261 PolarHBondContact O-N 2.64Å; N257-Y261 VanDerWaalsContact O-N 3.16Å; A258-Y261 PolarHBondContact O-N 3.07Å; Y261-R264 PolarHBondContact O-N 3.11Å; Y261-D265 PolarHBondContact O-N 3.22Å; Y261-P318 HydrophobicContact CD1-CG 4.19Å; Y261-P318 HydrophobicContact CE1-CB 3.76Å; Y261-P318 HydrophobicContact CE1-CG 3.58Å; Y261-P318 PolarHBondContact OH-O 2.82Å
262F93.3Very high90.3Very high1 Ų149.6 Ų49.60%0.00425%0.252CS..Hα-helixtrans-62.8-50.5177.8-178.7-87000111.5I216 A220 I225 A258 E259 R264 D265 V266 P285 T286 F287 I290I216-F262 HydrophobicContact CG2-CD2 4.02Å; I216-F262 HydrophobicContact CG2-CE2 3.52Å; I216-F262 HydrophobicContact CG2-CZ 3.96Å; A220-F262 HydrophobicContact CB-CD2 4.03Å; A220-F262 HydrophobicContact CB-CE2 3.72Å; I225-F262 HydrophobicContact CD1-CB 4.37Å; A258-F262 PolarHBondContact O-N 3.45Å; E259-F262 PolarHBondContact O-N 2.67Å; F262-R264 VanDerWaalsContact C-N 3.26Å; F262-R264 PolarHBondContact O-N 3.14Å; F262-D265 PolarHBondContact O-N 2.7Å; F262-V266 HydrophobicContact CD1-CG2 4.16Å; F262-V266 HydrophobicContact CE1-CG2 3.75Å; F262-V266 HydrophobicContact CZ-CG2 4.14Å; F262-V266 WeakPolarHBondContact O-CG2 3.32Å; F262-V266 PolarHBondContact O-N 2.5Å; F262-P285 HydrophobicContact CZ-CB 4.24Å; F262-P285 HydrophobicContact CZ-CG 4.35Å; F262-T286 VanDerWaalsContact CE1-C 3.49Å; F262-F287 HydrophobicContact CB-CD2 3.72Å; F262-F287 HydrophobicContact CB-CE2 4.46Å; F262-F287 HydrophobicContact CD1-CB 4.04Å; F262-F287 HydrophobicContact CD1-CD2 4.34Å; F262-F287 HydrophobicContact CD2-CD2 4.37Å; F262-F287 HydrophobicContact CG-CB 4.44Å; F262-F287 AromaticContact CG-CD2 3.9Å; F262-F287 HydrophobicContact CG-CD2 3.9Å; F262-I290 HydrophobicContact CD2-CD1 3.95Å; F262-I290 HydrophobicContact CE2-CD1 3.92Å; F262-I290 HydrophobicContact CE2-CG1 4.21Å; F262-I290 HydrophobicContact CG-CD1 4.41Å; F262-I290 HydrophobicContact CZ-CD1 4.4Å; F262-I290 HydrophobicContact CZ-CG1 4.44Å
263D91.8Very high90.4Very high70 Ų7048.3 Ų48.337%0.37424%0.243SC..Hα-helixtrans-64.5-33.9-179-75.7-10.1000111.8E259 K267E259-D263 WeakPolarHBondContact O-CB 3.45Å; E259-D263 PolarHBondContact O-N 3.13Å; D263-K267 WeakPolarHBondContact O-CB 3.44Å; D263-K267 PolarHBondContact O-N 2.95Å
264R91.9Very high90.6Very high60 Ų6048.8 Ų48.823%0.22625%0.249CC..Hα-helixtrans-65.3-46.5174.2-170.9-167.666.5-175.5-3.7111.6G227 W260 Y261 F262 V266 K267 C268G227-R264 PolarHBondContact O-NH2 3.48Å; W260-R264 VanDerWaalsContact O-CB 3.26Å; W260-R264 WeakPolarHBondContact O-CB 3.28Å; W260-R264 PolarHBondContact O-N 2.66Å; Y261-R264 PolarHBondContact O-N 3.11Å; F262-R264 VanDerWaalsContact C-N 3.26Å; F262-R264 PolarHBondContact O-N 3.14Å; R264-V266 VanDerWaalsContact C-N 3.35Å; R264-V266 PolarHBondContact O-N 3.48Å; R264-K267 PolarHBondContact O-N 2.87Å; R264-C268 PolarHBondContact O-N 3.13Å; R264-C268 PolarHBondContact O-SG 2.67Å
265D94.1Very high90.9Very high2 Ų254 Ų541%0.01126%0.26CS..Hα-helixtrans-60.6-44.1178-75.5-6.2000110.9G227 D228 F229 Y261 F262 K267 C268 I269G227-D265 PolarHBondContact N-OD2 2.95Å; D228-D265 PolarHBondContact N-OD1 3.41Å; F229-D265 HydrophobicContact CB-CB 3.61Å; F229-D265 VanDerWaalsContact CB-CG 3.46Å; F229-D265 PolarHBondContact N-OD1 3.23Å; F229-D265 VanDerWaalsContact N-OD1 3.12Å; Y261-D265 PolarHBondContact O-N 3.22Å; F262-D265 PolarHBondContact O-N 2.7Å; D265-K267 PolarHBondContact O-N 3.42Å; D265-C268 PolarHBondContact O-N 2.89Å; D265-I269 PolarHBondContact O-N 3.39Å
266V93.8Very high91.1Very high5 Ų555 Ų553%0.0326%0.262CS..Hα-helixtrans-61.2-45.9174.1172.10000111.3M213 I216 F262 R264 C268 I269 R270 F284 P285M213-V266 HydrophobicContact CE-CG1 4.18Å; M213-V266 HydrophobicContact SD-CG1 4.06Å; I216-V266 HydrophobicContact CD1-CG2 4.27Å; I216-V266 HydrophobicContact CG2-CG2 4.05Å; F262-V266 HydrophobicContact CD1-CG2 4.16Å; F262-V266 HydrophobicContact CE1-CG2 3.75Å; F262-V266 HydrophobicContact CZ-CG2 4.14Å; F262-V266 WeakPolarHBondContact O-CG2 3.32Å; F262-V266 PolarHBondContact O-N 2.5Å; R264-V266 VanDerWaalsContact C-N 3.35Å; R264-V266 PolarHBondContact O-N 3.48Å; V266-C268 PolarHBondContact O-N 3.44Å; V266-I269 PolarHBondContact O-N 2.87Å; V266-R270 HydrophobicContact CG1-CG 4.5Å; V266-R270 WeakPolarHBondContact O-CG 3.2Å; V266-R270 PolarHBondContact O-N 3.5Å; V266-R270 VanDerWaalsContact O-N 3.13Å; V266-F284 HydrophobicContact CG1-CB 4.23Å; V266-P285 HydrophobicContact CG2-CG 4.11Å
267K92.9Very high91.2Very high126 Ų12650.9 Ų50.955%0.54823%0.233SC..Hα-helixtrans-63.7-40.7-179.7-175.9178.2177.9-177.20112.2D263 R264 D265 I269 R270 D271D263-K267 WeakPolarHBondContact O-CB 3.44Å; D263-K267 PolarHBondContact O-N 2.95Å; R264-K267 PolarHBondContact O-N 2.87Å; D265-K267 PolarHBondContact O-N 3.42Å; K267-I269 VanDerWaalsContact C-N 3.3Å; K267-I269 PolarHBondContact O-N 3.47Å; K267-R270 PolarHBondContact O-N 2.86Å; K267-D271 VanDerWaalsContact CE-OD2 3.3Å; K267-D271 WeakPolarHBondContact CE-OD2 3.34Å; K267-D271 WeakPolarHBondContact CG-OD2 3.41Å; K267-D271 WeakPolarHBondContact O-CB 3.28Å; K267-D271 PolarHBondContact O-N 3.42Å
268C93.4Very high91.3Very high44 Ų4456.5 Ų56.530%0.29726%0.263SS..Hα-helixtrans-55.5-45.3178-780000112F229 R264 D265 V266 F272F229-C268 WeakPolarHBondContact O-CB 3.26Å; R264-C268 PolarHBondContact O-N 3.13Å; R264-C268 PolarHBondContact O-SG 2.67Å; D265-C268 PolarHBondContact O-N 2.89Å; V266-C268 PolarHBondContact O-N 3.44Å; C268-F272 VanDerWaalsContact O-CB 3.32Å; C268-F272 WeakPolarHBondContact O-CB 3.3Å; C268-F272 PolarHBondContact O-N 3.28Å
269I93.2Very high91.3Very high0 Ų058.9 Ų58.90%027%0.272CS..Hα-helixtrans-68.6-42.9177.6-59.9-58.3000111.6Y209 F212 M213 I216 F229 L234 D265 V266 K267 D271 F272 F273Y209-I269 HydrophobicContact CD2-CG2 4.31Å; Y209-I269 HydrophobicContact CE2-CG2 4.36Å; F212-I269 HydrophobicContact CB-CG2 4.23Å; M213-I269 HydrophobicContact CE-CB 3.84Å; M213-I269 HydrophobicContact CE-CG2 3.73Å; I216-I269 HydrophobicContact CD1-CG1 4.32Å; F229-I269 HydrophobicContact CD1-CD1 3.61Å; F229-I269 HydrophobicContact CD1-CG1 3.5Å; F229-I269 VanDerWaalsContact CD1-CG1 3.5Å; F229-I269 HydrophobicContact CE1-CD1 3.7Å; F229-I269 HydrophobicContact CE1-CG1 3.67Å; L234-I269 HydrophobicContact CD1-CD1 3.55Å; D265-I269 PolarHBondContact O-N 3.39Å; V266-I269 PolarHBondContact O-N 2.87Å; K267-I269 VanDerWaalsContact C-N 3.3Å; K267-I269 PolarHBondContact O-N 3.47Å; I269-D271 PolarHBondContact O-N 3.06Å; I269-F272 PolarHBondContact O-N 2.82Å; I269-F273 HydrophobicContact CG2-CD2 3.78Å; I269-F273 HydrophobicContact CG2-CE2 3.86Å; I269-F273 WeakPolarHBondContact O-CD2 3.38Å; I269-F273 PolarHBondContact O-N 2.8Å
270R92.6Very high91.2Very high89 Ų8962.3 Ų62.334%0.33629%0.288SS..Hα-helixtrans-59.2-49.6177.1-71.6179.666.2-172.31.6112Y209 M213 V266 K267 F272 F273 A274Y209-R270 HydrophobicContact CE2-CG 4.17Å; Y209-R270 WeakPolarHBondContact OH-CG 3.43Å; M213-R270 HydrophobicContact CE-CG 3.8Å; V266-R270 HydrophobicContact CG1-CG 4.5Å; V266-R270 WeakPolarHBondContact O-CG 3.2Å; V266-R270 PolarHBondContact O-N 3.5Å; V266-R270 VanDerWaalsContact O-N 3.13Å; K267-R270 PolarHBondContact O-N 2.86Å; R270-F272 VanDerWaalsContact C-N 3.28Å; R270-F272 PolarHBondContact O-N 3.38Å; R270-F273 PolarHBondContact O-N 3.39Å; R270-A274 VanDerWaalsContact O-CB 3.31Å; R270-A274 WeakPolarHBondContact O-CB 3.41Å; R270-A274 PolarHBondContact O-N 3.43Å
271D92.4Very high90.9Very high88 Ų8858.7 Ų58.747%0.47128%0.278SS..Hα-helixtrans-63.4-38.1-179.8-71.5-9.6000110.6K267 I269 K275K267-D271 VanDerWaalsContact CE-OD2 3.3Å; K267-D271 WeakPolarHBondContact CE-OD2 3.34Å; K267-D271 WeakPolarHBondContact CG-OD2 3.41Å; K267-D271 WeakPolarHBondContact O-CB 3.28Å; K267-D271 PolarHBondContact O-N 3.42Å; I269-D271 PolarHBondContact O-N 3.06Å; D271-K275 WeakPolarHBondContact O-CB 3.41Å; D271-K275 PolarHBondContact O-N 2.76Å
272F91.7Very high90.4Very high22 Ų2267.4 Ų67.410%0.09632%0.319CS..Hα-helixtrans-63.1-51.1175.1177.5-101.2000112L196 E231 C268 I269 R270 K275 R276 Y277L196-F272 HydrophobicContact CD1-CE1 4.16Å; L196-F272 HydrophobicContact CD2-CD1 3.93Å; L196-F272 HydrophobicContact CD2-CE1 3.49Å; L196-F272 VanDerWaalsContact CD2-CE1 3.49Å; L196-F272 HydrophobicContact CD2-CZ 4.18Å; L196-F272 HydrophobicContact CG-CD1 4.41Å; L196-F272 HydrophobicContact CG-CE1 3.5Å; L196-F272 VanDerWaalsContact CG-CE1 3.5Å; L196-F272 HydrophobicContact CG-CZ 3.78Å; E231-F272 HydrophobicContact CB-CD1 4.38Å; E231-F272 HydrophobicContact CB-CD2 3.58Å; E231-F272 HydrophobicContact CB-CE1 4.31Å; E231-F272 HydrophobicContact CB-CE2 3.5Å; E231-F272 VanDerWaalsContact CB-CE2 3.5Å; E231-F272 HydrophobicContact CB-CG 4.04Å; E231-F272 HydrophobicContact CB-CZ 3.9Å; E231-F272 HydrophobicContact CG-CD2 3.73Å; E231-F272 HydrophobicContact CG-CE2 3.69Å; C268-F272 VanDerWaalsContact O-CB 3.32Å; C268-F272 WeakPolarHBondContact O-CB 3.3Å; C268-F272 PolarHBondContact O-N 3.28Å; I269-F272 PolarHBondContact O-N 2.82Å; R270-F272 VanDerWaalsContact C-N 3.28Å; R270-F272 PolarHBondContact O-N 3.38Å; F272-K275 PolarHBondContact O-N 3.25Å; F272-R276 HydrophobicContact CE2-CB 4.24Å; F272-R276 HydrophobicContact CE2-CG 4.28Å; F272-R276 HydrophobicContact CZ-CB 4.23Å; F272-R276 HydrophobicContact CZ-CG 4.04Å; F272-R276 WeakPolarHBondContact O-CB 3.5Å; F272-R276 PolarHBondContact O-N 2.7Å; F272-Y277 AromaticContact CE1-CE2 3.75Å; F272-Y277 HydrophobicContact CE1-CE2 3.75Å; F272-Y277 HydrophobicContact CZ-CE2 4.27Å
273F90.8Very high89.9Confident0 Ų074.3 Ų74.30%036%0.355CS..Hα-helixtrans-65.1-40.6-179.8-88.5-103.6000112.7L205 L208 Y209 F212 I269 R270 Y277 N278 Y279L205-F273 HydrophobicContact CD2-CE1 4.25Å; L208-F273 HydrophobicContact CD2-CZ 4.36Å; Y209-F273 HydrophobicContact CD2-CB 4.31Å; Y209-F273 HydrophobicContact CD2-CD1 4.14Å; Y209-F273 HydrophobicContact CD2-CD2 4.09Å; Y209-F273 HydrophobicContact CD2-CE1 4.49Å; Y209-F273 HydrophobicContact CD2-CE2 4.44Å; Y209-F273 AromaticContact CD2-CG 3.92Å; Y209-F273 HydrophobicContact CD2-CG 3.92Å; F212-F273 AromaticContact CD2-CE2 3.74Å; F212-F273 HydrophobicContact CD2-CE2 3.74Å; F212-F273 AromaticContact CD2-CZ 3.74Å; F212-F273 HydrophobicContact CD2-CZ 3.74Å; F212-F273 AromaticContact CE2-CE2 3.89Å; F212-F273 HydrophobicContact CE2-CE2 3.89Å; F212-F273 AromaticContact CE2-CZ 3.75Å; F212-F273 HydrophobicContact CE2-CZ 3.75Å; I269-F273 HydrophobicContact CG2-CD2 3.78Å; I269-F273 HydrophobicContact CG2-CE2 3.86Å; I269-F273 WeakPolarHBondContact O-CD2 3.38Å; I269-F273 PolarHBondContact O-N 2.8Å; R270-F273 PolarHBondContact O-N 3.39Å; F273-Y277 AromaticContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CE1-CD2 4.32Å; F273-Y277 HydrophobicContact CG-CD2 4.34Å; F273-Y277 CarbonylContact O-C 3.58Å; F273-Y277 PolarHBondContact O-N 2.55Å; F273-N278 PolarHBondContact O-N 3.2Å; F273-Y279 CarbonylContact C-O 3.59Å; F273-Y279 HydrophobicContact CB-CD1 4.38Å; F273-Y279 HydrophobicContact CD1-CD1 4.07Å; F273-Y279 PolarHBondContact O-N 3.2Å
274A91.4Very high89.5Confident29 Ų2975.3 Ų75.324%0.2436%0.357CS..Hα-helixtrans-62.8-45.7176.100000111.1R270 N278 Y279 E280R270-A274 VanDerWaalsContact O-CB 3.31Å; R270-A274 WeakPolarHBondContact O-CB 3.41Å; R270-A274 PolarHBondContact O-N 3.43Å; A274-N278 WeakPolarHBondContact O-CA 3.45Å; A274-N278 PolarHBondContact O-N 3.4Å; A274-Y279 WeakPolarHBondContact CA-O 3.45Å; A274-Y279 PolarHBondContact N-O 2.83Å; A274-E280 HydrophobicContact CB-CG 4.2Å
275K90.9Very high89.3Confident195 Ų19573.3 Ų73.385%0.84835%0.351SS*.Hα-helixtrans-73.8-38.1-178.1-173.4177.6179.7-177.80113.3D271 F272D271-K275 WeakPolarHBondContact O-CB 3.41Å; D271-K275 PolarHBondContact O-N 2.76Å; F272-K275 PolarHBondContact O-N 3.25Å
276R88.5Confident89Confident77 Ų7775.7 Ų75.729%0.29137%0.366SS..Hα-helixtrans-90.9-38.4-169.5-173.156.1168.283.32.8113.6V199 H200 F272V199-R276 PolarHBondContact O-NH2 3.17Å; H200-R276 VanDerWaalsContact CA-NH2 3.28Å; H200-R276 PolarHBondContact CD2-NH2 3.21Å; H200-R276 PolarHBondContact CE1-NH2 2.87Å; H200-R276 PolarHBondContact ND1-NH2 3.16Å; F272-R276 HydrophobicContact CE2-CB 4.24Å; F272-R276 HydrophobicContact CE2-CG 4.28Å; F272-R276 HydrophobicContact CZ-CB 4.23Å; F272-R276 HydrophobicContact CZ-CG 4.04Å; F272-R276 WeakPolarHBondContact O-CB 3.5Å; F272-R276 PolarHBondContact O-N 2.7Å
277Y88.1Confident88.5Confident34 Ų3477.7 Ų77.713%0.13337%0.374CS..Hα-helixtrans-120-0.3-173.4-56.1-66.3000112.8V199 L202 L205 F272 F273 Y279V199-Y277 PolarHBondContact O-OH 3.41Å; V199-Y277 VanDerWaalsContact O-OH 3.06Å; L202-Y277 HydrophobicContact CD1-CE1 4.09Å; L202-Y277 HydrophobicContact CD1-CE2 3.78Å; L202-Y277 WeakPolarHBondContact CD1-OH 3.48Å; L202-Y277 HydrophobicContact CG-CE1 4.42Å; L205-Y277 HydrophobicContact CD1-CG 4.41Å; L205-Y277 HydrophobicContact CD2-CD1 3.79Å; L205-Y277 HydrophobicContact CD2-CD2 3.75Å; L205-Y277 HydrophobicContact CD2-CE1 4.27Å; L205-Y277 HydrophobicContact CD2-CE2 4.24Å; L205-Y277 HydrophobicContact CD2-CG 3.51Å; F272-Y277 AromaticContact CE1-CE2 3.75Å; F272-Y277 HydrophobicContact CE1-CE2 3.75Å; F272-Y277 HydrophobicContact CZ-CE2 4.27Å; F273-Y277 AromaticContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CD1-CD2 3.98Å; F273-Y277 HydrophobicContact CE1-CD2 4.32Å; F273-Y277 HydrophobicContact CG-CD2 4.34Å; F273-Y277 CarbonylContact O-C 3.58Å; F273-Y277 PolarHBondContact O-N 2.55Å; Y277-Y279 PolarHBondContact O-N 2.76Å
278N88.6Confident88Confident147 Ų14780 Ų8079%0.78638%0.384SS*.  trans53.636-175.8-156.185.6000112.1F273 A274F273-N278 PolarHBondContact O-N 3.2Å; A274-N278 WeakPolarHBondContact O-CA 3.45Å; A274-N278 PolarHBondContact O-N 3.4Å
279Y87.6Confident87.3Confident51 Ų5182.4 Ų82.420%0.239%0.394CS..  trans-106.7120.2178.7178.3-94.6000109.3S206 Y209 F273 A274 Y277S206-Y279 PolarHBondContact OG-OH 3.33Å; Y209-Y279 AromaticContact CD1-CE1 3.96Å; Y209-Y279 HydrophobicContact CD1-CE1 3.96Å; Y209-Y279 HydrophobicContact CD2-CD1 4.36Å; Y209-Y279 HydrophobicContact CD2-CE1 4.08Å; Y209-Y279 HydrophobicContact CG-CD1 4.34Å; Y209-Y279 AromaticContact CG-CE1 3.67Å; Y209-Y279 HydrophobicContact CG-CE1 3.67Å; F273-Y279 CarbonylContact C-O 3.59Å; F273-Y279 HydrophobicContact CB-CD1 4.38Å; F273-Y279 HydrophobicContact CD1-CD1 4.07Å; F273-Y279 PolarHBondContact O-N 3.2Å; A274-Y279 WeakPolarHBondContact CA-O 3.45Å; A274-Y279 PolarHBondContact N-O 2.83Å; Y277-Y279 PolarHBondContact O-N 2.76Å
280E87.3Confident86.7Confident165 Ų16584 Ų8477%0.77140%0.402SS*.  trans-117.1126174.4-68.2-176.3-179.800108.8A274A274-E280 HydrophobicContact CB-CG 4.2Å
281S83.9Confident86Confident23 Ų2389.6 Ų89.616%0.16142%0.423CS..  trans-100.6138.1174-178.70000110.7Y209 L283Y209-S281 WeakPolarHBondContact CE1-OG 3.14Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact OG-N 3.22Å; S281-L283 VanDerWaalsContact OG-N 3.14Å; S281-L283 PolarHBondContact OG-O 3.08Å; S281-L283 VanDerWaalsContact OG-O 3.07Å
282E79.7Confident85.2Confident187 Ų18790.4 Ų90.487%0.87442%0.42SS*.SBendtrans-76.4-23.3170.9-62.9-177.1177.200111.9
283L82.7Confident84.2Confident146 Ų14693.2 Ų93.276%0.76444%0.442SS*.  trans-99.2117.3-177.5-62.1173.8000110Y209 S281Y209-L283 PolarHBondContact OH-O 2.99Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact OG-N 3.22Å; S281-L283 VanDerWaalsContact OG-N 3.14Å; S281-L283 PolarHBondContact OG-O 3.08Å; S281-L283 VanDerWaalsContact OG-O 3.07Å
284F83.6Confident83.3Confident92 Ų9295 Ų9540%0.40446%0.455SS..  trans-141.1141171.759-86.9000109.9V266 T286V266-F284 HydrophobicContact CG1-CB 4.23Å; F284-T286 HydrophobicContact CD2-CG2 4.3Å; F284-T286 HydrophobicContact CE2-CG2 4.04Å
285P87.7Confident82.7Confident18 Ų1895.9 Ų95.912%0.11746%0.459CS..  trans-73.5148.3177.831-34000110.7M213 V217 F262 V266M213-P285 HydrophobicContact CB-CG 4.37Å; M213-P285 HydrophobicContact SD-CG 4.08Å; V217-P285 HydrophobicContact CG2-CB 3.36Å; V217-P285 HydrophobicContact CG2-CG 3.7Å; F262-P285 HydrophobicContact CZ-CB 4.24Å; F262-P285 HydrophobicContact CZ-CG 4.35Å; V266-P285 HydrophobicContact CG2-CG 4.11Å
286T87.6Confident82.2Confident51 Ų5186.6 Ų86.631%0.31342%0.419SS..  trans-115.9159.5170.8640000110.5F262 F284 K288 D289F262-T286 VanDerWaalsContact CE1-C 3.49Å; F284-T286 HydrophobicContact CD2-CG2 4.3Å; F284-T286 HydrophobicContact CE2-CG2 4.04Å; T286-K288 PolarHBondContact O-N 3.4Å; T286-D289 PolarHBondContact N-OD2 3.04Å; T286-D289 WeakPolarHBondContact O-CB 3.4Å; T286-D289 PolarHBondContact O-N 3.42Å; T286-D289 PolarHBondContact OG1-OD2 3.2Å
287F84.9Confident81.6Confident48 Ų4883.5 Ų83.521%0.21141%0.408CS..G310 helixtrans-56-28-179.5-170.9-101.3000113.3I225 A258 E259 F262 D289 I290I225-F287 HydrophobicContact CD1-CE2 4.18Å; A258-F287 HydrophobicContact CB-CE2 3.99Å; A258-F287 HydrophobicContact CB-CZ 3.93Å; E259-F287 HydrophobicContact CB-CB 4.28Å; E259-F287 HydrophobicContact CB-CD1 3.91Å; E259-F287 HydrophobicContact CB-CD2 4.4Å; E259-F287 HydrophobicContact CB-CE1 4.37Å; E259-F287 HydrophobicContact CB-CG 3.94Å; E259-F287 HydrophobicContact CG-CB 3.83Å; E259-F287 HydrophobicContact CG-CD1 4.14Å; E259-F287 HydrophobicContact CG-CG 4.04Å; F262-F287 HydrophobicContact CB-CD2 3.72Å; F262-F287 HydrophobicContact CB-CE2 4.46Å; F262-F287 HydrophobicContact CD1-CB 4.04Å; F262-F287 HydrophobicContact CD1-CD2 4.34Å; F262-F287 HydrophobicContact CD2-CD2 4.37Å; F262-F287 HydrophobicContact CG-CB 4.44Å; F262-F287 AromaticContact CG-CD2 3.9Å; F262-F287 HydrophobicContact CG-CD2 3.9Å; F287-D289 PolarHBondContact O-N 3.1Å; F287-I290 HydrophobicContact CB-CD1 4.3Å; F287-I290 HydrophobicContact CD2-CD1 3.18Å; F287-I290 HydrophobicContact CE2-CD1 3.46Å; F287-I290 VanDerWaalsContact CE2-CD1 3.46Å; F287-I290 HydrophobicContact CG-CD1 3.79Å; F287-I290 HydrophobicContact CZ-CD1 4.27Å; F287-I290 WeakPolarHBondContact O-CB 3.43Å; F287-I290 VanDerWaalsContact O-CD1 3.24Å; F287-I290 WeakPolarHBondContact O-CD1 3.35Å; F287-I290 VanDerWaalsContact O-CG1 3.27Å; F287-I290 WeakPolarHBondContact O-CG1 3.4Å; F287-I290 PolarHBondContact O-N 3.06Å
288K81.9Confident80.9Confident175 Ų17586.7 Ų86.776%0.76143%0.426SS*.G310 helixtrans-69.8-16.8178.3-65.2177.7-176.5171.40113.9T286 I290T286-K288 PolarHBondContact O-N 3.4Å; K288-I290 VanDerWaalsContact C-N 3.3Å
289D78.3Confident80.2Confident94 Ų9484.2 Ų84.250%0.50341%0.41SS..G310 helixtrans-84.4-7.2-178.7-57.4-46.8000112.7T286 F287 R291T286-D289 PolarHBondContact N-OD2 3.04Å; T286-D289 WeakPolarHBondContact O-CB 3.4Å; T286-D289 PolarHBondContact O-N 3.42Å; T286-D289 PolarHBondContact OG1-OD2 3.2Å; F287-D289 PolarHBondContact O-N 3.1Å; D289-R291 PolarHBondContact O-N 3.19Å
290I81.5Confident79.5Confident33 Ų3382 Ų8217%0.16940%0.401CS..  trans-70.9127.2-176.4-58.4163.5000110.3A220 F262 F287 K288A220-I290 HydrophobicContact CB-CB 4.48Å; A220-I290 HydrophobicContact CB-CD1 3.65Å; A220-I290 HydrophobicContact CB-CG1 3.73Å; A220-I290 HydrophobicContact CB-CG2 3.9Å; A220-I290 WeakPolarHBondContact O-CG2 3.14Å; F262-I290 HydrophobicContact CD2-CD1 3.95Å; F262-I290 HydrophobicContact CE2-CD1 3.92Å; F262-I290 HydrophobicContact CE2-CG1 4.21Å; F262-I290 HydrophobicContact CG-CD1 4.41Å; F262-I290 HydrophobicContact CZ-CD1 4.4Å; F262-I290 HydrophobicContact CZ-CG1 4.44Å; F287-I290 HydrophobicContact CB-CD1 4.3Å; F287-I290 HydrophobicContact CD2-CD1 3.18Å; F287-I290 HydrophobicContact CE2-CD1 3.46Å; F287-I290 VanDerWaalsContact CE2-CD1 3.46Å; F287-I290 HydrophobicContact CG-CD1 3.79Å; F287-I290 HydrophobicContact CZ-CD1 4.27Å; F287-I290 WeakPolarHBondContact O-CB 3.43Å; F287-I290 VanDerWaalsContact O-CD1 3.24Å; F287-I290 WeakPolarHBondContact O-CD1 3.35Å; F287-I290 VanDerWaalsContact O-CG1 3.27Å; F287-I290 WeakPolarHBondContact O-CG1 3.4Å; F287-I290 PolarHBondContact O-N 3.06Å; K288-I290 VanDerWaalsContact C-N 3.3Å
291R77.4Confident78.5Confident207 Ų20776.1 Ų76.178%0.78138%0.378SS*.  trans-115.5101173.3-64.3-176.1-175.7-175.72.2108.6N221 D289 S293N221-R291 WeakPolarHBondContact CB-O 3.5Å; N221-R291 PolarHBondContact OD1-N 3.34Å; N221-R291 PolarHBondContact OD1-O 2.88Å; N221-R291 VanDerWaalsContact OD1-O 3.09Å; D289-R291 PolarHBondContact O-N 3.19Å; R291-S293 PolarHBondContact O-N 3.27Å
292R74.5Confident77Confident104 Ų10478.8 Ų78.839%0.39240%0.402SS..  trans-62.9110.3-178.2-154.2175.8175.6162.53.7110.1N221 S254 S295 D297N221-R292 CarbonylContact O-C 3.56Å; N221-R292 WeakPolarHBondContact O-CA 3.21Å; S254-R292 PolarHBondContact OG-NH1 3.45Å; R292-S295 PolarHBondContact NE-OG 3.13Å; R292-S295 PolarHBondContact NH2-OG 3.39Å; R292-D297 IonicContact CZ-OD1 3.97Å; R292-D297 IonicContact CZ-OD2 3.84Å; R292-D297 IonicContact NH2-OD1 2.82Å; R292-D297 PolarHBondContact NH2-OD1 3.19Å; R292-D297 IonicContact NH2-OD2 2.7Å; R292-D297 PolarHBondContact NH2-OD2 3.42Å
293S72.3Confident75.8Confident81 Ų8173.3 Ų73.357%0.56638%0.384SS*.  trans-102.4-32.5-179.162.30000111.9N221 R291N221-S293 PolarHBondContact O-N 2.92Å; N221-S293 PolarHBondContact O-OG 3.5Å; R291-S293 PolarHBondContact O-N 3.27Å
294C71.3Confident74.1Confident39 Ų3969.5 Ų69.526%0.26438%0.381SS..  trans-143.1157.6179.4-77.50000109.6N221 H222 G223N221-C294 PolarHBondContact O-N 2.96Å; H222-C294 CarbonylContact C-O 3.47Å; H222-C294 WeakPolarHBondContact CA-O 3.39Å; H222-C294 VanDerWaalsContact O-O 3.05Å; G223-C294 PolarHBondContact N-O 3.28Å
295S79.4Confident72.7Confident47 Ų4766.8 Ų66.833%0.32937%0.369SS..  trans-119.873.2178.9-61.70000110.3R292 D297 I298 E299R292-S295 PolarHBondContact NE-OG 3.13Å; R292-S295 PolarHBondContact NH2-OG 3.39Å; S295-D297 WeakPolarHBondContact CA-OD1 3.35Å; S295-D297 VanDerWaalsContact CB-OD1 3.3Å; S295-D297 WeakPolarHBondContact CB-OD1 3.32Å; S295-D297 PolarHBondContact O-N 3.11Å; S295-I298 PolarHBondContact O-N 2.99Å; S295-E299 PolarHBondContact O-N 3.43Å
296L79.1Confident70.7Confident0 Ų066.7 Ų66.70%037%0.369CS..Hα-helixtrans-64.1-28.3176.5-75.2178.6000112A167 L168 R171 H222 L224 I298 E299 V300A167-L296 HydrophobicContact CB-CD2 4.34Å; L168-L296 HydrophobicContact CD2-CD1 4.34Å; R171-L296 HydrophobicContact CG-CD1 4.21Å; R171-L296 HydrophobicContact CG-CD2 4.04Å; H222-L296 HydrophobicContact CB-CD1 3.72Å; H222-L296 HydrophobicContact CB-CG 4.13Å; H222-L296 WeakPolarHBondContact O-CB 3.33Å; H222-L296 PolarHBondContact O-N 2.92Å; L224-L296 HydrophobicContact CD1-CB 3.68Å; L224-L296 HydrophobicContact CD1-CD1 3.93Å; L224-L296 HydrophobicContact CD1-CG 4.48Å; L224-L296 HydrophobicContact CG-CB 4.02Å; L296-I298 PolarHBondContact O-N 3.47Å; L296-E299 WeakPolarHBondContact CD2-OE2 3.43Å; L296-E299 PolarHBondContact O-N 3.31Å; L296-V300 WeakPolarHBondContact O-CG2 3.26Å; L296-V300 PolarHBondContact O-N 2.94Å
297D76.6Confident69Low12 Ų1273.3 Ų73.36%0.06439%0.394CS..Hα-helixtrans-58-36.5174.460-37.5000113.1L224 S252 R292 S295 S301L224-D297 HydrophobicContact CD2-CB 3.87Å; S252-D297 PolarHBondContact OG-OD2 3.36Å; R292-D297 IonicContact CZ-OD1 3.97Å; R292-D297 IonicContact CZ-OD2 3.84Å; R292-D297 IonicContact NH2-OD1 2.82Å; R292-D297 PolarHBondContact NH2-OD1 3.19Å; R292-D297 IonicContact NH2-OD2 2.7Å; R292-D297 PolarHBondContact NH2-OD2 3.42Å; S295-D297 WeakPolarHBondContact CA-OD1 3.35Å; S295-D297 VanDerWaalsContact CB-OD1 3.3Å; S295-D297 WeakPolarHBondContact CB-OD1 3.32Å; S295-D297 PolarHBondContact O-N 3.11Å; D297-S301 WeakPolarHBondContact O-CB 3.39Å; D297-S301 PolarHBondContact O-N 2.76Å; D297-S301 PolarHBondContact O-OG 3.03Å
298I73.6Confident67.1Low101 Ų10174.6 Ų74.652%0.51840%0.403SS..Hα-helixtrans-77.8-39.1175.8-58.3175.4000110.3S295 L296 S301 A302S295-I298 PolarHBondContact O-N 2.99Å; L296-I298 PolarHBondContact O-N 3.47Å; I298-S301 PolarHBondContact O-N 2.82Å; I298-A302 WeakPolarHBondContact O-CB 3.35Å; I298-A302 PolarHBondContact O-N 3.19Å
299E73.7Confident65.6Low94 Ų9467.1 Ų67.144%0.43937%0.371SS..Hα-helixtrans-64.5-43-179.6-170.8174.6175.700112.4R171 S295 L296 S301 A302 S303R171-E299 IonicContact CZ-OE2 3.94Å; R171-E299 IonicContact NH2-OE2 2.89Å; R171-E299 PolarHBondContact NH2-OE2 3.01Å; S295-E299 PolarHBondContact O-N 3.43Å; L296-E299 WeakPolarHBondContact CD2-OE2 3.43Å; L296-E299 PolarHBondContact O-N 3.31Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 3.3Å; E299-A302 PolarHBondContact O-N 3.39Å; E299-S303 WeakPolarHBondContact O-CB 3.28Å; E299-S303 PolarHBondContact O-N 2.95Å; E299-S303 VanDerWaalsContact O-N 3.08Å; E299-S303 PolarHBondContact O-OG 3.04Å
300V71.5Confident64.2Low4 Ų468.8 Ų68.82%0.02438%0.376CS..Hα-helixtrans-66.1-37.3175.8173.10000111A163 Y164 A167 L296 S303A163-V300 HydrophobicContact CB-CG1 3.9Å; Y164-V300 HydrophobicContact CD1-CB 4.45Å; Y164-V300 HydrophobicContact CD1-CG1 4.19Å; Y164-V300 HydrophobicContact CD1-CG2 3.86Å; Y164-V300 HydrophobicContact CE1-CB 4.04Å; Y164-V300 HydrophobicContact CE1-CG1 3.85Å; Y164-V300 HydrophobicContact CE1-CG2 3.89Å; Y164-V300 HydrophobicContact CE2-CG1 4.27Å; A167-V300 HydrophobicContact CB-CG2 3.76Å; L296-V300 WeakPolarHBondContact O-CG2 3.26Å; L296-V300 PolarHBondContact O-N 2.94Å; V300-S303 PolarHBondContact O-OG 3.01Å; V300-S303 VanDerWaalsContact O-OG 3.12Å
301S66.4Low62.7Low42 Ų4271.6 Ų71.629%0.29440%0.395SS..Hα-helixtrans-68.3-43.7173.3-55.70000111.7D297 I298 E299 S303 A306D297-S301 WeakPolarHBondContact O-CB 3.39Å; D297-S301 PolarHBondContact O-N 2.76Å; D297-S301 PolarHBondContact O-OG 3.03Å; I298-S301 PolarHBondContact O-N 2.82Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 3.3Å; S301-S303 PolarHBondContact O-N 2.82Å; S301-A306 WeakPolarHBondContact O-CB 3.48Å
302A53.6Low61.4Low79 Ų7962.4 Ų62.465%0.65336%0.361SS*.Hα-helixtrans-74.8-21.2-173.100000114.9I298 E299 G304I298-A302 WeakPolarHBondContact O-CB 3.35Å; I298-A302 PolarHBondContact O-N 3.19Å; E299-A302 PolarHBondContact O-N 3.39Å; A302-G304 PolarHBondContact O-N 3.12Å
303S53.4Low60.1Low72 Ų7258.7 Ų58.750%0.50335%0.352SS..THydrogen-bonded Turntrans-70.815.5-176.841.80000115E299 V300 S301 F305E299-S303 WeakPolarHBondContact O-CB 3.28Å; E299-S303 PolarHBondContact O-N 2.95Å; E299-S303 VanDerWaalsContact O-N 3.08Å; E299-S303 PolarHBondContact O-OG 3.04Å; V300-S303 PolarHBondContact O-OG 3.01Å; V300-S303 VanDerWaalsContact O-OG 3.12Å; S301-S303 PolarHBondContact O-N 2.82Å; S303-F305 WeakPolarHBondContact OG-CD2 3.34Å; S303-F305 WeakPolarHBondContact OG-CE2 3.38Å
304G48Very low59.3Low67 Ų6761.3 Ų61.369%0.69136%0.356SS*.THydrogen-bonded Turntrans89.5-0.7175.500000114.3A302 A306A302-G304 PolarHBondContact O-N 3.12Å; G304-A306 PolarHBondContact O-N 3.01Å
305F53Low58.5Low35 Ų3561.5 Ų61.515%0.15435%0.354CS..THydrogen-bonded Turntrans-68.2-20.6170.7-63.8-86000112.3M159 A163 S303 L309M159-F305 HydrophobicContact CB-CD1 4.45Å; M159-F305 HydrophobicContact CE-CD1 4.04Å; A163-F305 HydrophobicContact CB-CD1 4.24Å; A163-F305 HydrophobicContact CB-CD2 4.05Å; A163-F305 HydrophobicContact CB-CE1 4Å; A163-F305 HydrophobicContact CB-CE2 3.8Å; A163-F305 HydrophobicContact CB-CG 4.27Å; A163-F305 HydrophobicContact CB-CZ 3.78Å; S303-F305 WeakPolarHBondContact OG-CD2 3.34Å; S303-F305 WeakPolarHBondContact OG-CE2 3.38Å; F305-L309 HydrophobicContact CB-CD2 4.19Å; F305-L309 WeakPolarHBondContact O-CB 3.18Å; F305-L309 PolarHBondContact O-N 3.48Å
306A46.3Very low57.4Low15 Ų1559.8 Ų59.812%0.12434%0.341CS..Hα-helixtrans-67.8-36.7-16400000118.1S301 G304 D308 L309 E310S301-A306 WeakPolarHBondContact O-CB 3.48Å; G304-A306 PolarHBondContact O-N 3.01Å; A306-D308 VanDerWaalsContact C-N 3.31Å; A306-D308 PolarHBondContact O-N 3.24Å; A306-L309 PolarHBondContact O-N 3.45Å; A306-E310 HydrophobicContact CB-CG 3.86Å; A306-E310 VanDerWaalsContact O-CB 3.28Å; A306-E310 WeakPolarHBondContact O-CB 3.34Å; A306-E310 PolarHBondContact O-N 3.21Å
307K51.2Low56.5Low190 Ų19062 Ų6283%0.82635%0.352SS*.Hα-helixtrans-60.5-40.3-170.2-95.6-173.9178.8179.10113.6T311K307-T311 PolarHBondContact O-OG1 3.41Å
308D46.7Very low55.4Low75 Ų7562.2 Ų62.240%0.40135%0.353SS..Hα-helixtrans-91-24.4176.7-76.9-15.8000112.5L156 A306 N312L156-D308 HydrophobicContact CD2-CB 4.34Å; A306-D308 VanDerWaalsContact C-N 3.31Å; A306-D308 PolarHBondContact O-N 3.24Å; D308-N312 PolarHBondContact O-ND2 3.01Å
309L50.4Low54.5Low19 Ų1960.8 Ų60.810%0.09936%0.357CS..Hα-helixtrans-84.2-42.9-176.9-169.568.6000112.6K160 F305 A306 N312 A313K160-L309 HydrophobicContact CB-CD1 4.26Å; K160-L309 HydrophobicContact CD-CD1 4.49Å; F305-L309 HydrophobicContact CB-CD2 4.19Å; F305-L309 WeakPolarHBondContact O-CB 3.18Å; F305-L309 PolarHBondContact O-N 3.48Å; A306-L309 PolarHBondContact O-N 3.45Å; L309-N312 CarbonylContact O-C 3.48Å; L309-N312 PolarHBondContact O-N 3.47Å; L309-A313 VanDerWaalsContact O-CA 3.3Å; L309-A313 WeakPolarHBondContact O-CA 3.12Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.32Å; L309-A313 PolarHBondContact O-N 2.88Å
310E48.6Very low53.2Low128 Ų12856.8 Ų56.860%0.59834%0.341SS*.G310 helixtrans-64-42.5-179.2-80.4176.615600111.9A306 N312A306-E310 HydrophobicContact CB-CG 3.86Å; A306-E310 VanDerWaalsContact O-CB 3.28Å; A306-E310 WeakPolarHBondContact O-CB 3.34Å; A306-E310 PolarHBondContact O-N 3.21Å; E310-N312 PolarHBondContact O-N 2.97Å; E310-N312 VanDerWaalsContact O-N 3.16Å
311T50.3Low51.9Low92 Ų9259.9 Ų59.956%0.56436%0.361SS*.G310 helixtrans-68.4-14.8179.2-31.40000113K307K307-T311 PolarHBondContact O-OG1 3.41Å
312N49.5Very low50.8Low14 Ų1463.2 Ų63.28%0.07537%0.372CS..G310 helixtrans-127.37-175.4-60.4-74.5000113.1M148 L156 D308 L309 E310 E314 L315M148-N312 WeakPolarHBondContact CE-OD1 3.5Å; L156-N312 HydrophobicContact CD1-CB 3.85Å; D308-N312 PolarHBondContact O-ND2 3.01Å; L309-N312 CarbonylContact O-C 3.48Å; L309-N312 PolarHBondContact O-N 3.47Å; E310-N312 PolarHBondContact O-N 2.97Å; E310-N312 VanDerWaalsContact O-N 3.16Å; N312-E314 PolarHBondContact O-N 2.95Å; N312-L315 HydrophobicContact CB-CD1 4.25Å; N312-L315 WeakPolarHBondContact O-CB 3.4Å; N312-L315 PolarHBondContact O-N 3.26Å; N312-L315 VanDerWaalsContact O-N 3.1Å
313A48.1Very low50.3Low26 Ų2663.6 Ų63.622%0.21536%0.363CS..G310 helixtrans-62.4-36.4-175.100000110.9L309 L315 L316 H317L309-A313 VanDerWaalsContact O-CA 3.3Å; L309-A313 WeakPolarHBondContact O-CA 3.12Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.32Å; L309-A313 PolarHBondContact O-N 2.88Å; A313-L315 PolarHBondContact O-N 3.22Å; A313-L316 PolarHBondContact O-N 3.25Å; A313-L316 VanDerWaalsContact O-N 3.08Å; A313-H317 PolarHBondContact O-CD2 3.24Å; A313-H317 PolarHBondContact O-N 2.96Å
314E54.4Low49.4Very low137 Ų13768.9 Ų68.964%0.6438%0.379SS*.G310 helixtrans-57-31.2175.5-70.4174.2-174.100113.7N312 L316 H317N312-E314 PolarHBondContact O-N 2.95Å; E314-L316 VanDerWaalsContact C-N 3.25Å; E314-L316 PolarHBondContact O-N 3.42Å; E314-H317 PolarHBondContact O-N 3.32Å
315L55.5Low48.6Very low42 Ų4274 Ų7422%0.2239%0.386CS..G310 helixtrans-75.5-15.8-178.8-63.6173.1000113.4L153 N312 A313L153-L315 HydrophobicContact CD2-CD1 4.49Å; N312-L315 HydrophobicContact CB-CD1 4.25Å; N312-L315 WeakPolarHBondContact O-CB 3.4Å; N312-L315 PolarHBondContact O-N 3.26Å; N312-L315 VanDerWaalsContact O-N 3.1Å; A313-L315 PolarHBondContact O-N 3.22Å
316L55.2Low47.4Very low11 Ų1180.3 Ų80.36%0.05842%0.415CS..G310 helixtrans-111.66.5-179-64.4173.6000112.1L127 L156 Q249 A313 E314L127-L316 HydrophobicContact CD2-CD2 3.92Å; L156-L316 HydrophobicContact CB-CD1 4Å; Q249-L316 PolarHBondContact OE1-O 3.43Å; A313-L316 PolarHBondContact O-N 3.25Å; A313-L316 VanDerWaalsContact O-N 3.08Å; E314-L316 VanDerWaalsContact C-N 3.25Å; E314-L316 PolarHBondContact O-N 3.42Å
317H59.9Low46.7Very low48 Ų4887.7 Ų87.722%0.22245%0.447CS..SBendtrans-76144.9172.9-71.3-44.3000110.8A313 E314A313-H317 PolarHBondContact O-CD2 3.24Å; A313-H317 PolarHBondContact O-N 2.96Å; E314-H317 PolarHBondContact O-N 3.32Å
318P54.1Low45.8Very low16 Ų1686.9 Ų86.910%0.10445%0.447CS..PPolyproline II helixtrans-59.6156.6172.72.42.4000110.5Q249 V251 Y261 G320Q249-P318 HydrophobicContact CB-CG 4.35Å; V251-P318 HydrophobicContact CG1-CG 4.49Å; Y261-P318 HydrophobicContact CD1-CG 4.19Å; Y261-P318 HydrophobicContact CE1-CB 3.76Å; Y261-P318 HydrophobicContact CE1-CG 3.58Å; Y261-P318 PolarHBondContact OH-O 2.82Å; P318-G320 PolarHBondContact O-N 3.34Å
319A54.6Low44.9Very low71 Ų7193 Ų9359%0.58747%0.473SS*.PPolyproline II helixtrans-67.7123.5176.300000109.8D323A319-D323 WeakPolarHBondContact CA-OD2 3.3Å
320G47.1Very low43.8Very low10 Ų10101.8 Ų101.810%0.10351%0.513CS..PPolyproline II helixtrans-94.7170.4177.300000112.2P318 E322 D323P318-G320 PolarHBondContact O-N 3.34Å; G320-E322 VanDerWaalsContact C-N 3.29Å; G320-E322 PolarHBondContact O-N 3.09Å; G320-D323 PolarHBondContact N-OD2 3.39Å; G320-D323 PolarHBondContact O-N 3.36Å
321P44.3Very low42.8Very low68 Ų68100.3 Ų100.344%0.44252%0.523SS..G310 helixtrans-67-24.4-178.926.2-33.4000114.1W260 D323W260-P321 HydrophobicContact CD2-CG 4.11Å; W260-P321 HydrophobicContact CG-CG 3.99Å; P321-D323 VanDerWaalsContact C-N 3.34Å
322E43.3Very low41.6Very low112 Ų112101.2 Ų101.252%0.52353%0.533SS..G310 helixtrans-83.3-6.8-179.7-66.5173161.700113.6N257 G320 E324N257-E322 PolarHBondContact ND2-OE2 3.31Å; G320-E322 VanDerWaalsContact C-N 3.29Å; G320-E322 PolarHBondContact O-N 3.09Å; E322-E324 PolarHBondContact O-N 3.18Å; E322-E324 VanDerWaalsContact O-N 3.1Å
323D42.8Very low40.5Very low87 Ų87108.5 Ų108.547%0.46557%0.572SS.*G310 helixtrans-73.82.2-178.8-73.6-54.6000114K138 A319 G320 P321K138-D323 VanDerWaalsContact CE-OD1 3.28Å; K138-D323 WeakPolarHBondContact CE-OD1 3.24Å; K138-D323 IonicContact NZ-OD1 3.13Å; K138-D323 PolarHBondContact NZ-OD1 2.77Å; K138-D323 IonicContact NZ-OD2 2.87Å; K138-D323 PolarHBondContact NZ-OD2 3.5Å; A319-D323 WeakPolarHBondContact CA-OD2 3.3Å; G320-D323 PolarHBondContact N-OD2 3.39Å; G320-D323 PolarHBondContact O-N 3.36Å; P321-D323 VanDerWaalsContact C-N 3.34Å
324E34.8Very low39.6Very low183 Ų183115.9 Ų115.986%0.85560%0.602SS**G310 helixtrans-101.8-13.3179.1-66.5-167.6170.500114.4E322E322-E324 PolarHBondContact O-N 3.18Å; E322-E324 VanDerWaalsContact O-N 3.1Å
325E30.8Very low38.3Very low176 Ų176118.9 Ų118.982%0.82262%0.616SS**THydrogen-bonded Turntrans-132.8-3.2-165.4-70.3-166.7170.600119.9E327E325-E327 PolarHBondContact O-N 2.99Å
326E28.1Very low37.1Very low166 Ų166120.8 Ų120.878%0.77664%0.638SS**  trans-92.7101.6-179.2-68.2-166.4167.900114.3
327E31.9Very low35.7Very low171 Ų171129.1 Ų129.180%0.79968%0.677SS**  trans-89.9144.8166.9-82.4-175.1166.800112.5E325E325-E327 PolarHBondContact O-N 2.99Å
328E32Very low34.1Very low173 Ų173136.5 Ų136.581%0.80871%0.708SS**  trans58.198.5150.7-63.6-174175.800120.3
329E27.4Very low32.7Very low203 Ų203141.6 Ų141.695%0.94974%0.739SS**  trans-128.9134.1139.2-75.7-146.217200111.9
330E26.9Very low31.5Very low203 Ų203147.1 Ų147.195%0.94975%0.752SS**PPolyproline II helixtrans-70.4136.2-176.4-65.9-161.6157.700112.5
331A27Very low30.8Very low98 Ų98154 Ų15481%0.8178%0.782SS**PPolyproline II helixtrans-99.3124.4176.300000111.5
332S25.3Very low30.4Very low111 Ų111154 Ų15478%0.77679%0.793SS**PPolyproline II helixtrans-74.4131.6163.659.20000110.7E334S332-E334 PolarHBondContact O-N 2.91Å
333D28Very low30.6Very low167 Ų167151.7 Ų151.789%0.89378%0.782SS**  trans-64.7115.8175.9-83.8-35000112
334E27.8Very low31.3Very low181 Ų181151.7 Ų151.785%0.84678%0.782SS**  trans-126.8124.2153.8-71.1-165.6174.300109.8S332 A336S332-E334 PolarHBondContact O-N 2.91Å; E334-A336 PolarHBondContact O-N 3.18Å
335E28.6Very low32.4Very low200 Ų200146.2 Ų146.294%0.93576%0.758SS**  trans-66.9115.5-176.4-67.2-171148.100111.5
336A28.9Very low33.8Very low81 Ų81141.5 Ų141.567%0.66974%0.738SS**  trans-83.5121.5172.800000111.8E334E334-A336 PolarHBondContact O-N 3.18Å
337E25.2Very low35.8Very low187 Ų187137.5 Ų137.587%0.87472%0.719SS**  trans-57.3131.6172-76.3-173.9143.300112V339E337-V339 PolarHBondContact O-N 2.94Å
338K26.8Very low37.5Very low203 Ų203130.3 Ų130.388%0.88369%0.685SS**  trans-72.4108.2171.8-72.6-179.5-179.5175.10110E340K338-E340 PolarHBondContact O-N 3.47Å
339V25.6Very low39.2Very low123 Ų123126.5 Ų126.575%0.74567%0.666SS**  trans-75105162.7-175.90000108E337 E341E337-V339 PolarHBondContact O-N 2.94Å; V339-E341 HydrophobicContact CG1-CG 4.17Å; V339-E341 PolarHBondContact O-N 3.08Å
340E28.1Very low41.4Very low187 Ų187120.9 Ų120.987%0.87464%0.639SS**  trans-70.592165.7-82.1-166.3157.700109K338 G342K338-E340 PolarHBondContact O-N 3.47Å; E340-G342 PolarHBondContact O-N 2.99Å; E340-G342 VanDerWaalsContact O-N 3.11Å
341E34.4Very low43.1Very low154 Ų154111.9 Ų111.972%0.7260%0.6SS**  trans-68.8107.3165.9-74.3-174.3170.600109.3V339V339-E341 HydrophobicContact CG1-CG 4.17Å; V339-E341 PolarHBondContact O-N 3.08Å
342G33.9Very low45.5Very low67 Ų67108 Ų10869%0.69157%0.566SS**  trans-62143.9176.500000111.9E340 D344E340-G342 PolarHBondContact O-N 2.99Å; E340-G342 VanDerWaalsContact O-N 3.11Å; G342-D344 PolarHBondContact O-N 2.76Å; G342-D344 VanDerWaalsContact O-N 3.11Å
343F47.6Very low47.6Very low64 Ų64106.7 Ų106.728%0.28155%0.547SS..  trans-53.9113.6174.6-178.8-92000111.5M25 I41 I345M25-F343 HydrophobicContact CB-CE2 3.96Å; M25-F343 HydrophobicContact CE-CD2 4.37Å; M25-F343 HydrophobicContact CE-CE1 4.31Å; M25-F343 HydrophobicContact CE-CE2 3.55Å; M25-F343 HydrophobicContact CE-CZ 3.48Å; M25-F343 VanDerWaalsContact CE-CZ 3.48Å; M25-F343 HydrophobicContact SD-CE2 3.94Å; M25-F343 HydrophobicContact SD-CZ 3.71Å; I41-F343 HydrophobicContact CB-CE2 4.47Å; I41-F343 HydrophobicContact CB-CZ 4.16Å; I41-F343 HydrophobicContact CD1-CD2 4.21Å; I41-F343 HydrophobicContact CD1-CE2 3.6Å; I41-F343 HydrophobicContact CD1-CZ 4.15Å; I41-F343 HydrophobicContact CG1-CD2 4.34Å; I41-F343 HydrophobicContact CG1-CE1 4.38Å; I41-F343 HydrophobicContact CG1-CE2 3.66Å; I41-F343 HydrophobicContact CG1-CZ 3.72Å; I41-F343 HydrophobicContact CG2-CE1 4.44Å; I41-F343 HydrophobicContact CG2-CE2 4Å; I41-F343 HydrophobicContact CG2-CZ 3.5Å; F343-I345 HydrophobicContact CD1-CG1 3.84Å; F343-I345 HydrophobicContact CE1-CG1 3.95Å; F343-I345 PolarHBondContact O-N 3.36Å
344D58Low49.8Very low88 Ų88100.5 Ų100.547%0.47151%0.513SS..  trans-78.7105.4176.9-165.5-15.1000110.6G342 D346 E347 Y348G342-D344 PolarHBondContact O-N 2.76Å; G342-D344 VanDerWaalsContact O-N 3.11Å; D344-D346 PolarHBondContact O-N 2.98Å; D344-D346 WeakPolarHBondContact OD1-CB 3.42Å; D344-D346 PolarHBondContact OD1-N 3.06Å; D344-E347 HydrophobicContact CB-CB 4.06Å; D344-E347 PolarHBondContact O-N 3.11Å; D344-Y348 PolarHBondContact O-N 3.09Å
345I57.3Low51.8Low68 Ų6892.4 Ų92.435%0.34948%0.475SS..Hα-helixtrans-66.1-29.4177.8-72.6170.9000111.1F343 Y348 K349F343-I345 HydrophobicContact CD1-CG1 3.84Å; F343-I345 HydrophobicContact CE1-CG1 3.95Å; F343-I345 PolarHBondContact O-N 3.36Å; I345-Y348 PolarHBondContact O-N 3Å; I345-K349 HydrophobicContact CG2-CD 4.48Å; I345-K349 WeakPolarHBondContact O-CG 3.28Å; I345-K349 PolarHBondContact O-N 3.27Å; I345-K349 VanDerWaalsContact O-N 3.1Å
346D60.3Low53.6Low76 Ų7687.9 Ų87.941%0.40645%0.454SS..Hα-helixtrans-75.4-31.6-177.5-64.8-30.8000110.3D344 K349 H350D344-D346 PolarHBondContact O-N 2.98Å; D344-D346 WeakPolarHBondContact OD1-CB 3.42Å; D344-D346 PolarHBondContact OD1-N 3.06Å; D346-K349 PolarHBondContact O-N 3.37Å; D346-K349 IonicContact OD1-NZ 3.36Å; D346-K349 PolarHBondContact OD1-NZ 2.91Å; D346-H350 WeakPolarHBondContact O-CB 3.46Å; D346-H350 PolarHBondContact O-N 3.04Å
347E70.4Confident54.6Low82 Ų8285.9 Ų85.938%0.38344%0.441SS..Hα-helixtrans-63.2-41.8168.1-168.4-177.9-163.200112.6M25 K28 D344 K349 H350 A351M25-E347 HydrophobicContact CE-CB 4.32Å; K28-E347 IonicContact NZ-OE1 2.78Å; K28-E347 PolarHBondContact NZ-OE1 3.08Å; K28-E347 IonicContact NZ-OE2 3.98Å; K28-E347 PolarHBondContact NZ-OE2 3.21Å; D344-E347 HydrophobicContact CB-CB 4.06Å; D344-E347 PolarHBondContact O-N 3.11Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 3.31Å; E347-H350 WeakPolarHBondContact O-CB 3.39Å; E347-H350 PolarHBondContact O-N 3.48Å; E347-A351 PolarHBondContact O-N 3.15Å
348Y69.2Low55.6Low21 Ų2182 Ų828%0.08243%0.426CS..Hα-helixtrans-61-44.9175-178-123.1000111.6R18 T21 M25 I41 D344 I345 H350 A351 M352R18-Y348 PolarHBondContact O-OH 2.9Å; T21-Y348 HydrophobicContact CG2-CD2 4.14Å; T21-Y348 HydrophobicContact CG2-CE2 4.01Å; M25-Y348 HydrophobicContact CG-CD2 4.46Å; M25-Y348 VanDerWaalsContact SD-CA 3.51Å; M25-Y348 WeakPolarHBondContact SD-CB 3.3Å; M25-Y348 HydrophobicContact SD-CD2 3.2Å; M25-Y348 WeakPolarHBondContact SD-CD2 3.38Å; M25-Y348 HydrophobicContact SD-CE2 4.27Å; M25-Y348 HydrophobicContact SD-CG 3.63Å; I41-Y348 HydrophobicContact CG2-CD2 4.2Å; I41-Y348 HydrophobicContact CG2-CE2 4.1Å; I41-Y348 HydrophobicContact CG2-CG 4.47Å; D344-Y348 PolarHBondContact O-N 3.09Å; I345-Y348 PolarHBondContact O-N 3Å; Y348-H350 VanDerWaalsContact C-N 3.3Å; Y348-H350 PolarHBondContact O-N 3.22Å; Y348-A351 PolarHBondContact O-N 3.15Å; Y348-M352 HydrophobicContact CD1-CG 4.25Å; Y348-M352 HydrophobicContact CD2-CG 4.04Å; Y348-M352 HydrophobicContact CE1-CG 3.95Å; Y348-M352 HydrophobicContact CE1-SD 4.31Å; Y348-M352 HydrophobicContact CE2-CG 3.77Å; Y348-M352 HydrophobicContact CE2-SD 3.75Å; Y348-M352 HydrophobicContact CG-CG 4.33Å; Y348-M352 VanDerWaalsContact CZ-SD 3.58Å; Y348-M352 WeakPolarHBondContact O-CB 3.01Å; Y348-M352 WeakPolarHBondContact O-CG 3.43Å; Y348-M352 PolarHBondContact O-N 3.13Å; Y348-M352 PolarHBondContact OH-SD 3.29Å; Y348-M352 VanDerWaalsContact OH-SD 3.4Å
349K66.8Low56Low92 Ų9282.6 Ų82.640%0.443%0.429SS..Hα-helixtrans-62.6-41.7178.5-71.1173.6-166.71520110.9I345 D346 E347 M352 Q353I345-K349 HydrophobicContact CG2-CD 4.48Å; I345-K349 WeakPolarHBondContact O-CG 3.28Å; I345-K349 PolarHBondContact O-N 3.27Å; I345-K349 VanDerWaalsContact O-N 3.1Å; D346-K349 PolarHBondContact O-N 3.37Å; D346-K349 IonicContact OD1-NZ 3.36Å; D346-K349 PolarHBondContact OD1-NZ 2.91Å; E347-K349 VanDerWaalsContact C-N 3.34Å; E347-K349 PolarHBondContact O-N 3.31Å; K349-M352 PolarHBondContact O-N 3.34Å; K349-Q353 WeakPolarHBondContact O-CB 3.4Å; K349-Q353 VanDerWaalsContact O-CG 3.29Å; K349-Q353 WeakPolarHBondContact O-CG 3.36Å; K349-Q353 PolarHBondContact O-N 3.11Å
350H73.1Confident56.5Low85 Ų8579.8 Ų79.839%0.39441%0.411SS..Hα-helixtrans-59.1-51.2175.7-175.7-83.4000111D346 E347 Y348 M352 Q353 E354D346-H350 WeakPolarHBondContact O-CB 3.46Å; D346-H350 PolarHBondContact O-N 3.04Å; E347-H350 WeakPolarHBondContact O-CB 3.39Å; E347-H350 PolarHBondContact O-N 3.48Å; Y348-H350 VanDerWaalsContact C-N 3.3Å; Y348-H350 PolarHBondContact O-N 3.22Å; H350-M352 PolarHBondContact O-N 2.95Å; H350-Q353 PolarHBondContact O-N 3.3Å; H350-Q353 VanDerWaalsContact O-N 3.17Å; H350-E354 VanDerWaalsContact O-CB 3.31Å; H350-E354 WeakPolarHBondContact O-CB 3.44Å; H350-E354 PolarHBondContact O-N 2.8Å
351A64Low56.4Low15 Ų1575.8 Ų75.812%0.12440%0.404CS..Hα-helixtrans-59.7-32.1177.300000112.8T21 E347 Y348 L355T21-A351 HydrophobicContact CG2-CB 3.99Å; E347-A351 PolarHBondContact O-N 3.15Å; Y348-A351 PolarHBondContact O-N 3.15Å; A351-L355 WeakPolarHBondContact O-CB 3.25Å; A351-L355 WeakPolarHBondContact O-CD1 3.28Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 2.98Å; A351-L355 VanDerWaalsContact O-N 3.16Å
352M75.7Confident56.3Low17 Ų1777 Ų778%0.08441%0.41CS..Hα-helixtrans-74.7-43.5175.3-64.8-80.772.400112.6R18 T21 Y348 K349 H350 E354 L355 E356R18-M352 HydrophobicContact CB-SD 4.1Å; R18-M352 HydrophobicContact CG-CE 4.35Å; R18-M352 HydrophobicContact CG-SD 3.6Å; T21-M352 HydrophobicContact CG2-CE 3.94Å; T21-M352 WeakPolarHBondContact OG1-CE 3.37Å; Y348-M352 HydrophobicContact CD1-CG 4.25Å; Y348-M352 HydrophobicContact CD2-CG 4.04Å; Y348-M352 HydrophobicContact CE1-CG 3.95Å; Y348-M352 HydrophobicContact CE1-SD 4.31Å; Y348-M352 HydrophobicContact CE2-CG 3.77Å; Y348-M352 HydrophobicContact CE2-SD 3.75Å; Y348-M352 HydrophobicContact CG-CG 4.33Å; Y348-M352 VanDerWaalsContact CZ-SD 3.58Å; Y348-M352 WeakPolarHBondContact O-CB 3.01Å; Y348-M352 WeakPolarHBondContact O-CG 3.43Å; Y348-M352 PolarHBondContact O-N 3.13Å; Y348-M352 PolarHBondContact OH-SD 3.29Å; Y348-M352 VanDerWaalsContact OH-SD 3.4Å; K349-M352 PolarHBondContact O-N 3.34Å; H350-M352 PolarHBondContact O-N 2.95Å; M352-E354 VanDerWaalsContact C-N 3.27Å; M352-E354 PolarHBondContact O-N 3.43Å; M352-L355 HydrophobicContact CE-CB 4.34Å; M352-L355 HydrophobicContact CE-CD1 3.37Å; M352-L355 HydrophobicContact CE-CG 4.45Å; M352-L355 PolarHBondContact O-N 2.97Å; M352-E356 WeakPolarHBondContact O-CB 3.45Å; M352-E356 VanDerWaalsContact O-CG 3.25Å; M352-E356 WeakPolarHBondContact O-CG 3.31Å; M352-E356 PolarHBondContact O-N 3.13Å
353Q70.7Confident55.9Low83 Ų8379.4 Ų79.439%0.38841%0.411SS..Hα-helixtrans-60.4-40.4175.2-74.6171.6-20.300111.4K349 H350 E356 G357 L358 V360K349-Q353 WeakPolarHBondContact O-CB 3.4Å; K349-Q353 VanDerWaalsContact O-CG 3.29Å; K349-Q353 WeakPolarHBondContact O-CG 3.36Å; K349-Q353 PolarHBondContact O-N 3.11Å; H350-Q353 PolarHBondContact O-N 3.3Å; H350-Q353 VanDerWaalsContact O-N 3.17Å; Q353-E356 CarbonylContact O-C 3.57Å; Q353-E356 PolarHBondContact O-N 2.71Å; Q353-E356 VanDerWaalsContact O-N 3.14Å; Q353-G357 PolarHBondContact O-N 3.37Å; Q353-G357 VanDerWaalsContact O-N 3.07Å; Q353-L358 PolarHBondContact O-N 3.09Å; Q353-L358 VanDerWaalsContact O-N 3.17Å; Q353-V360 HydrophobicContact CB-CG2 4.38Å
354E73.8Confident55Low37 Ų3782 Ų8217%0.17344%0.435CS..Hα-helixtrans-62.7-43.9175.4-172.4-172.217500112T87 S90 R91 H350 M352 E356 G357T87-E354 HydrophobicContact CG2-CG 3.98Å; T87-E354 VanDerWaalsContact CG2-OE1 3.28Å; T87-E354 WeakPolarHBondContact CG2-OE1 3.46Å; S90-E354 PolarHBondContact OG-O 3.04Å; R91-E354 IonicContact CZ-OE1 3.47Å; R91-E354 IonicContact NE-OE1 3.73Å; R91-E354 IonicContact NH2-OE1 2.7Å; R91-E354 PolarHBondContact NH2-OE1 2.87Å; H350-E354 VanDerWaalsContact O-CB 3.31Å; H350-E354 WeakPolarHBondContact O-CB 3.44Å; H350-E354 PolarHBondContact O-N 2.8Å; M352-E354 VanDerWaalsContact C-N 3.27Å; M352-E354 PolarHBondContact O-N 3.43Å; E354-E356 PolarHBondContact O-N 3.38Å; E354-G357 PolarHBondContact O-N 3Å
355L69.9Low53.4Low11 Ų1182.6 Ų82.66%0.05845%0.451CS..Hα-helixtrans-69.7-21.4174.2-75.6167.1000113.2T21 L83 K86 T87 S90 A351 M352T21-L355 HydrophobicContact CG2-CD1 4.48Å; T21-L355 WeakPolarHBondContact OG1-CD1 3.47Å; L83-L355 HydrophobicContact CD2-CD1 4.41Å; K86-L355 HydrophobicContact CB-CD2 3.88Å; K86-L355 HydrophobicContact CG-CD2 3.54Å; T87-L355 WeakPolarHBondContact OG1-CD2 3.48Å; S90-L355 WeakPolarHBondContact CB-O 3.49Å; A351-L355 WeakPolarHBondContact O-CB 3.25Å; A351-L355 WeakPolarHBondContact O-CD1 3.28Å; A351-L355 VanDerWaalsContact O-CG 3.3Å; A351-L355 WeakPolarHBondContact O-CG 3.44Å; A351-L355 PolarHBondContact O-N 2.98Å; A351-L355 VanDerWaalsContact O-N 3.16Å; M352-L355 HydrophobicContact CE-CB 4.34Å; M352-L355 HydrophobicContact CE-CD1 3.37Å; M352-L355 HydrophobicContact CE-CG 4.45Å; M352-L355 PolarHBondContact O-N 2.97Å
356E67.1Low51.9Low105 Ų10584.9 Ų84.949%0.49147%0.468SS..THydrogen-bonded Turntrans-90-4.1177-72.9176.7175.500113.4M352 Q353 E354 L358M352-E356 WeakPolarHBondContact O-CB 3.45Å; M352-E356 VanDerWaalsContact O-CG 3.25Å; M352-E356 WeakPolarHBondContact O-CG 3.31Å; M352-E356 PolarHBondContact O-N 3.13Å; Q353-E356 CarbonylContact O-C 3.57Å; Q353-E356 PolarHBondContact O-N 2.71Å; Q353-E356 VanDerWaalsContact O-N 3.14Å; E354-E356 PolarHBondContact O-N 3.38Å; E356-L358 VanDerWaalsContact C-N 3.28Å; E356-L358 PolarHBondContact O-N 3.16Å
357G48.6Very low50.3Low38 Ų3887.9 Ų87.939%0.39249%0.49SS..THydrogen-bonded Turntrans74.814.5175.900000114.1Q353 E354 K359Q353-G357 PolarHBondContact O-N 3.37Å; Q353-G357 VanDerWaalsContact O-N 3.07Å; E354-G357 PolarHBondContact O-N 3Å; G357-K359 PolarHBondContact O-N 3.36Å
358L46.8Very low48.1Very low107 Ų10791.1 Ų91.156%0.5651%0.505SS*.  trans-79.9112.2174.1-67.4168.4000108.1Q353 E356 V360Q353-L358 PolarHBondContact O-N 3.09Å; Q353-L358 VanDerWaalsContact O-N 3.17Å; E356-L358 VanDerWaalsContact C-N 3.28Å; E356-L358 PolarHBondContact O-N 3.16Å; L358-V360 PolarHBondContact O-N 3.38Å
359K34.2Very low46.1Very low215 Ų21598.1 Ų98.194%0.93554%0.544SS*.  trans-53.7110.3180-72.5-178.6178.6179.70110.5G357G357-K359 PolarHBondContact O-N 3.36Å
360V35.7Very low44.1Very low63 Ų63101.8 Ų101.838%0.38256%0.562SS.*  trans-87.2113163-174.60000105.9Q353 L358 E362Q353-V360 HydrophobicContact CB-CG2 4.38Å; L358-V360 PolarHBondContact O-N 3.38Å; V360-E362 PolarHBondContact O-N 2.84Å; V360-E362 VanDerWaalsContact O-N 3.16Å
361S27.2Very low41.9Very low104 Ų104107.7 Ų107.773%0.72759%0.587SS**  trans-62.7113.3170.950.30000108.9T363S361-T363 PolarHBondContact O-N 3.17Å; S361-T363 VanDerWaalsContact O-N 3.12Å
362E32.6Very low39.9Very low178 Ų178116 Ų11683%0.83262%0.623SS**  trans-67.6104.6169.8-69.9-175.1163.700109.6V360V360-E362 PolarHBondContact O-N 2.84Å; V360-E362 VanDerWaalsContact O-N 3.16Å
363T24.4Very low37.5Very low119 Ų119124.8 Ų124.873%0.7366%0.664SS**  trans-144.8125.9144.1460000108.1S361 A365S361-T363 PolarHBondContact O-N 3.17Å; S361-T363 VanDerWaalsContact O-N 3.12Å; T363-A365 PolarHBondContact O-N 2.94Å
364P30.1Very low35.2Very low118 Ų118126.2 Ų126.277%0.76668%0.683SS**  trans-73.2114.2163.628.6-26.7000107V366P364-V366 VanDerWaalsContact C-N 3.34Å; P364-V366 PolarHBondContact O-N 3.09Å
365A23.9Very low32.8Very low100 Ų100130.3 Ų130.383%0.82672%0.716SS**  trans-64.397.6170.400000108.6T363 T367T363-A365 PolarHBondContact O-N 2.94Å; A365-T367 PolarHBondContact O-N 3.35Å
366V25.8Very low30.5Very low116 Ų116137.3 Ų137.370%0.70375%0.753SS**  trans-66.9116.8164.7177.10000106.9P364 Q368P364-V366 VanDerWaalsContact C-N 3.34Å; P364-V366 PolarHBondContact O-N 3.09Å; V366-Q368 HydrophobicContact CG1-CG 4.32Å; V366-Q368 PolarHBondContact O-N 3.12Å; V366-Q368 VanDerWaalsContact O-N 3.08Å
367T25.8Very low28.5Very low140 Ų140141.4 Ų141.486%0.85977%0.773SS**  trans-61.3104.6164.58.40000108.6A365A365-T367 PolarHBondContact O-N 3.35Å
368Q25.5Very low27.2Very low150 Ų150144 Ų14470%0.70178%0.784SS**  trans-110.4108.7159.2-87.4-175.5-7.700108.4V366 Q370V366-Q368 HydrophobicContact CG1-CG 4.32Å; V366-Q368 PolarHBondContact O-N 3.12Å; V366-Q368 VanDerWaalsContact O-N 3.08Å; Q368-Q370 PolarHBondContact O-N 3.25Å
369D26.6Very low26.2Very low168 Ų168147.4 Ų147.490%0.89880%0.795SS**  trans-58.1112.3157.5-78.9-42.9000108.6
370Q25.4Very low25.7Very low169 Ų169144.1 Ų144.179%0.7979%0.788SS**  trans-134.9131.3157.3-71.2-164.79.300110.6Q368Q368-Q370 PolarHBondContact O-N 3.25Å
371K25.4Very low25.2Very low208 Ų208147.1 Ų147.190%0.90481%0.805SS**  trans-60.4143.7-175.9-72.9168.4171.9174.70111.9
372E23.1Very low25.2Very low191 Ų191147.8 Ų147.889%0.89381%0.808SS**  trans-53.2133.1164.6-60.8175157.100111.5
373E24Very low24.7Very low201 Ų201147.3 Ų147.394%0.93981%0.805SS**  trans-141.3125.5142.1-104.3-177.7-170.300109
374S22.6Very low24.7Very low112 Ų112148.5 Ų148.578%0.78381%0.812SS**  trans-81.1145.3-178.453.40000112.6
375S23.3Very low24.5Very low124 Ų124148.3 Ų148.387%0.86781%0.809SS**  trans-170.3142133.932.80000112.6
376D22.9Very low25Very low157 Ų157148.4 Ų148.484%0.8480%0.8SS**  trans-46.4145.5172.1-90.4-50.1000114.7
377E24.6Very low25Very low192 Ų192149 Ų14990%0.89781%0.805SS**  -172154.4108.8-103.5-172.8175.400113.5
378S21.9Very low25.5Very low91 Ų91148.2 Ų148.264%0.63680%0.802SS**  trans-83170.7-165.557.90000117.2
379K24.4Very low25.4Very low180 Ų180145 Ų14578%0.78381%0.809SS**  trans84143158.4-61.5177.3-173.3179.10115.5
380D24.2Very low25.2Very low146 Ų146140 Ų14078%0.78180%0.797SS**  cis-156.9154.89.3-101.8-36.7000107.9
381V25.7Very low25.2Very low125 Ų125140.7 Ų140.776%0.75880%0.8SS**  trans-96.4152.6169.1178.20000108.9E383V381-E383 HydrophobicContact CG1-CB 4.34Å
382P27.3Very low25.3Very low119 Ų119140 Ų14077%0.77380%0.797SS**  -138.3119.7119.231.4-16.5000110.1
383E22.1Very low25.3Very low168 Ų168139.9 Ų139.979%0.78580%0.796SS**  51.8100.976.1-145.9177.7-157.900114.2V381V381-E383 HydrophobicContact CG1-CB 4.34Å
384V24.4Very low25.4Very low143 Ų143137 Ų13787%0.86779%0.793SS**  trans-129.9117.3164.31790000108.3
385V24.6Very low25.4Very low115 Ų115135.8 Ų135.870%0.69780%0.797SS**  trans-151160.9170.3-165.70000105.4
386P36.3Very low25.4Very low101 Ų101133.3 Ų133.366%0.65679%0.792SS**  cis-130.9163.8-9.211.515.2000116.4
387T24.9Very low25.5Very low129 Ų129134.7 Ų134.779%0.79179%0.793SS**  21.6177.712969.20000121.5
388P35.3Very low25.6Very low123 Ų123135 Ų13580%0.79979%0.792SS**  cis-148.8177.510.440.4-17.7000119.2
389G23.6Very low25.8Very low82 Ų82140.1 Ų140.185%0.84581%0.806SS**  trans110.4121.514900000114.4
390G22.4Very low26Very low63 Ų63140.3 Ų140.365%0.64981%0.81SS**  cis138.5122.69.100000107.5
391H25.9Very low26.2Very low184 Ų184142.5 Ų142.585%0.85282%0.815SS**  trans-164.4111.1156.8-98.8-67.1000112.2
392K26.9Very low26.4Very low195 Ų195144.9 Ų144.985%0.84882%0.823SS**  trans40.5122.9138.8-71.7-177.8173.8-179.80121.8
393E24.5Very low26.3Very low188 Ų188148.9 Ų148.988%0.87983%0.828SS**  trans-59.1145158.3-58.9169.514800114.3
394T25.2Very low26.8Very low140 Ų140149.7 Ų149.786%0.85983%0.832SS**  -172.3107.3123.747.10000105.8
395G22.8Very low27Very low86 Ų86147 Ų14789%0.88783%0.825SS**  69.5119.789.900000111.3
396G23Very low27.5Very low73 Ų73149.4 Ų149.475%0.75383%0.828SS**  cis-174.1-169.82.700000108.1
397E25.2Very low27.4Very low186 Ų186152.2 Ų152.287%0.86984%0.838SS**  trans105.9126.5178.4-61.3-177.2176.500115.3
398F26.8Very low28Very low199 Ų199154 Ų15487%0.87384%0.837SS**  trans88.263.7-179.8-73.6-89.7000118.7
399E27.1Very low28.2Very low198 Ų198150.5 Ų150.593%0.92582%0.815SS**  trans-127.984146.6-82.6-173.116500109.6
400E28.4Very low29.3Very low184 Ų184151.4 Ų151.486%0.8681%0.806SS**  trans-139.1122.7154.3-98-167.6155.300107.8
401E29Very low30.6Very low191 Ų191153.9 Ų153.989%0.89380%0.801SS**  trans12853.9164.3-72.1-166.5150.800115.3
402L28.3Very low31.7Very low175 Ų175149.5 Ų149.592%0.91678%0.783SS**  trans-133.771.9146.4-76.9172.5000108.6
403K26.1Very low32.9Very low204 Ų204143.1 Ų143.189%0.88777%0.767SS**  trans-88.1103.6157.2-85.6-178.5177.9171.10107.4A405K403-A405 PolarHBondContact O-N 3.28Å
404E31.5Very low34.2Very low184 Ų184140.5 Ų140.586%0.8676%0.755SS**  trans-54.7104.7157.1-67.1-177155.300107.3E406E404-E406 PolarHBondContact O-N 3.25Å; E404-E406 VanDerWaalsContact O-N 3.08Å
405A29.1Very low35.2Very low88 Ų88138.8 Ų138.873%0.72774%0.74SS**  trans-70.9102.4167.100000106.7K403 D407K403-A405 PolarHBondContact O-N 3.28Å; A405-D407 PolarHBondContact O-N 3.47Å
406E35.3Very low36.5Very low165 Ų165137.9 Ų137.977%0.77172%0.72SS**  trans-50.7105.8161.8-67.4176.9150.200108E404 E408E404-E406 PolarHBondContact O-N 3.25Å; E404-E406 VanDerWaalsContact O-N 3.08Å; E406-E408 PolarHBondContact O-N 3.05Å
407D35.1Very low38Very low160 Ų160137 Ų13786%0.85671%0.705SS**  trans-6971.3165.7-94-25.7000107.6A405 C409A405-D407 PolarHBondContact O-N 3.47Å; D407-C409 PolarHBondContact O-N 2.95Å
408E36.1Very low39.1Very low166 Ų166130.9 Ų130.978%0.77668%0.683SS**  trans-65.2104.9162.8-82.9-164.9148.900107.7E406 P410E406-E408 PolarHBondContact O-N 3.05Å; E408-P410 VanDerWaalsContact O-CD 3.22Å; E408-P410 WeakPolarHBondContact O-CD 3.49Å
409C41Very low40.2Very low49 Ų49127.5 Ų127.533%0.33167%0.674SS.*  trans-74112.6173.5-152.40000108D407 E411 L412D407-C409 PolarHBondContact O-N 2.95Å; C409-E411 PolarHBondContact O-N 2.82Å; C409-E411 VanDerWaalsContact O-N 3.08Å; C409-L412 HydrophobicContact CB-CD1 3.96Å; C409-L412 HydrophobicContact CB-CG 4.27Å; C409-L412 PolarHBondContact O-N 2.81Å
410P46.2Very low41.6Very low101 Ų101125.9 Ų125.966%0.65666%0.664SS**Hα-helixtrans-61.6-24.7-174.58.6-11000113.1E408 L412 A413 E414E408-P410 VanDerWaalsContact O-CD 3.22Å; E408-P410 WeakPolarHBondContact O-CD 3.49Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 3.31Å; P410-A413 PolarHBondContact O-N 3.47Å; P410-E414 PolarHBondContact O-N 3.07Å
411E49.6Very low42.5Very low116 Ų116125.2 Ų125.254%0.54266%0.661SS.*Hα-helixtrans-66.5-25.6175.7-114.5179.1173.100113.6C409 L415C409-E411 PolarHBondContact O-N 2.82Å; C409-E411 VanDerWaalsContact O-N 3.08Å; E411-L415 PolarHBondContact O-N 3.14Å
412L48Very low43.2Very low91 Ų91124.6 Ų124.648%0.47666%0.655SS.*Hα-helixtrans-78.8-31.9177.2-76.5170000112.2C409 P410 S416 L470C409-L412 HydrophobicContact CB-CD1 3.96Å; C409-L412 HydrophobicContact CB-CG 4.27Å; C409-L412 PolarHBondContact O-N 2.81Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 3.31Å; L412-S416 PolarHBondContact O-N 2.75Å; L412-L470 HydrophobicContact CD2-CD1 4.14Å
413A52.5Low44.1Very low62 Ų62124.6 Ų124.651%0.51265%0.648SS.*Hα-helixtrans-65.8-42174.800000110.9P410 S416 A417P410-A413 PolarHBondContact O-N 3.47Å; A413-S416 PolarHBondContact O-N 3.34Å; A413-S416 PolarHBondContact O-OG 3.45Å; A413-S416 VanDerWaalsContact O-OG 3.09Å; A413-A417 PolarHBondContact O-N 3.15Å
414E51.2Low44.7Very low132 Ų132120.6 Ų120.662%0.61764%0.643SS**Hα-helixtrans-66-39.4178.9-72.5-176.9170.100113P410 A417 S418P410-E414 PolarHBondContact O-N 3.07Å; E414-A417 PolarHBondContact O-N 3.44Å; E414-S418 WeakPolarHBondContact O-CB 3.47Å; E414-S418 PolarHBondContact O-N 3.44Å; E414-S418 PolarHBondContact O-OG 2.69Å
415L46.5Very low44.9Very low105 Ų105121.3 Ų121.355%0.5564%0.644SS.*Hα-helixtrans-69.2-34174.7-78.6163.5000112.7E411 A417 S418 N419E411-L415 PolarHBondContact O-N 3.14Å; L415-A417 VanDerWaalsContact C-N 3.35Å; L415-S418 PolarHBondContact O-N 3.14Å; L415-N419 PolarHBondContact O-N 2.94Å; L415-N419 VanDerWaalsContact O-N 3.14Å
416S49.9Very low45.3Very low67 Ų67122 Ų12247%0.46964%0.643SS.*Hα-helixtrans-69.4-33.6174.1960000112.4L412 A413 K420L412-S416 PolarHBondContact O-N 2.75Å; A413-S416 PolarHBondContact O-N 3.34Å; A413-S416 PolarHBondContact O-OG 3.45Å; A413-S416 VanDerWaalsContact O-OG 3.09Å; S416-K420 PolarHBondContact O-N 3.36Å
417A54.8Low45.6Very low53 Ų53125.1 Ų125.144%0.43865%0.648SS.*Hα-helixtrans-70.3-40.6174.600000111.2A413 E414 L415 N419 K420A413-A417 PolarHBondContact O-N 3.15Å; E414-A417 PolarHBondContact O-N 3.44Å; L415-A417 VanDerWaalsContact C-N 3.35Å; A417-N419 PolarHBondContact O-N 3.46Å; A417-K420 WeakPolarHBondContact O-CB 3.42Å; A417-K420 PolarHBondContact O-N 3.02Å; A417-K420 VanDerWaalsContact O-N 3.15Å
418S49.4Very low45.8Very low59 Ų59123 Ų12341%0.41364%0.636SS.*Hα-helixtrans-62.9-38.6177.4-54.10000112.9E414 L415 K420 E421E414-S418 WeakPolarHBondContact O-CB 3.47Å; E414-S418 PolarHBondContact O-N 3.44Å; E414-S418 PolarHBondContact O-OG 2.69Å; L415-S418 PolarHBondContact O-N 3.14Å; S418-K420 VanDerWaalsContact C-N 3.31Å; S418-K420 PolarHBondContact O-N 3.4Å; S418-E421 PolarHBondContact O-N 3.37Å
419N50.1Low46.2Very low128 Ų128119.9 Ų119.968%0.68463%0.633SS**Hα-helixtrans-73-18.7176.4-85.1-15.3000113.7L415 A417 E421L415-N419 PolarHBondContact O-N 2.94Å; L415-N419 VanDerWaalsContact O-N 3.14Å; A417-N419 PolarHBondContact O-N 3.46Å; N419-E421 VanDerWaalsContact C-N 3.34Å
420K56.3Low46.5Very low163 Ų163123.6 Ų123.671%0.70965%0.649SS**Hα-helixtrans-75.7-23172.8-79.1176.7177.3174.20112.8S416 A417 S418S416-K420 PolarHBondContact O-N 3.36Å; A417-K420 WeakPolarHBondContact O-CB 3.42Å; A417-K420 PolarHBondContact O-N 3.02Å; A417-K420 VanDerWaalsContact O-N 3.15Å; S418-K420 VanDerWaalsContact C-N 3.31Å; S418-K420 PolarHBondContact O-N 3.4Å
421E46.3Very low46.5Very low170 Ų170121.8 Ų121.879%0.79464%0.639SS**Hα-helixtrans-82.6-26.6178.9-70.7-175162.800113S418 N419 K423S418-E421 PolarHBondContact O-N 3.37Å; N419-E421 VanDerWaalsContact C-N 3.34Å; E421-K423 VanDerWaalsContact C-N 3.34Å; E421-K423 PolarHBondContact O-N 3.03Å
422F44.8Very low46.4Very low178 Ų178122.8 Ų122.878%0.78165%0.647SS**  trans-82.876.1171.3-92.1-88.6000111.5P424F422-P424 WeakPolarHBondContact O-CD 3.49Å
423K46.1Very low46.1Very low175 Ų175125.6 Ų125.676%0.76166%0.658SS**  trans-73.5121.2158.7-69.8-177.8-179.9178.40108.5E421 F425E421-K423 VanDerWaalsContact C-N 3.34Å; E421-K423 PolarHBondContact O-N 3.03Å; K423-F425 PolarHBondContact O-N 3.27Å
424P38.4Very low45.7Very low120 Ų120131.2 Ų131.278%0.77967%0.674SS**  trans-65.5117.6159.95.38.6000106.5F422F422-P424 WeakPolarHBondContact O-CD 3.49Å
425F35.5Very low45.3Very low200 Ų200131.6 Ų131.688%0.87768%0.678SS**  trans19111.3169.1-71.2-87.9000116.5K423 R427K423-F425 PolarHBondContact O-N 3.27Å; F425-R427 PolarHBondContact O-N 2.92Å
426S39.4Very low45.1Very low101 Ų101130.5 Ų130.571%0.70669%0.685SS**  trans-43.5106.7164.347.40000111.1D428S426-D428 PolarHBondContact O-N 3.01Å
427R40.1Very low44.7Very low232 Ų232135.2 Ų135.288%0.87570%0.699SS**  trans-82.5101.9164.1-96178.9163.1159-4107.2F425F425-R427 PolarHBondContact O-N 2.92Å
428D38.7Very low44.3Very low115 Ų115141.4 Ų141.462%0.61572%0.719SS**  trans-59.8138.4172.3-68.1-37.5000110.6S426 D430 S431S426-D428 PolarHBondContact O-N 3.01Å; D428-D430 PolarHBondContact O-N 3.46Å; D428-D430 VanDerWaalsContact O-N 3.07Å; D428-S431 PolarHBondContact O-N 3.02Å; D428-S431 VanDerWaalsContact O-N 3.14Å; D428-S431 PolarHBondContact O-OG 3.23Å
429S46.3Very low43.9Very low100 Ų100149.6 Ų149.670%0.69974%0.741SS**G310 helixtrans-60.7-17.1-177.3560000114.3
430D45.6Very low43.3Very low127 Ų127155.5 Ų155.568%0.67975%0.753SS**G310 helixtrans-81.9-13.9179.9-73-8.7000113.5D428 L432D428-D430 PolarHBondContact O-N 3.46Å; D428-D430 VanDerWaalsContact O-N 3.07Å; D430-L432 VanDerWaalsContact C-N 3.32Å; D430-L432 PolarHBondContact O-N 3.16Å
431S47.8Very low42.5Very low63 Ų63158 Ų15844%0.44176%0.758SS.*G310 helixtrans-84.7-2.3179.258.30000114.3D428D428-S431 PolarHBondContact O-N 3.02Å; D428-S431 VanDerWaalsContact O-N 3.14Å; D428-S431 PolarHBondContact O-OG 3.23Å
432L46.9Very low42.1Very low137 Ų137156.6 Ų156.672%0.71776%0.762SS**G310 helixtrans-86.3-12174.7-84.6165.6000114.2D430D430-L432 VanDerWaalsContact C-N 3.32Å; D430-L432 PolarHBondContact O-N 3.16Å
433Q42.3Very low41.8Very low151 Ų151154.6 Ų154.671%0.70676%0.759SS**SBendtrans-83.6-22.2-179.7-72-177.1-7.200113.6
434Q43.7Very low41.3Very low179 Ų179151.7 Ų151.784%0.83676%0.761SS**SBendtrans-90.6-8.8-176.9-76-175.13.500115.5
435I42.4Very low41.8Very low140 Ų140155.2 Ų155.272%0.71877%0.767SS**SBendtrans-93.7-13.5178.7-62.2171.7000111.6
436A42.9Very low42.3Very low82 Ų82150.2 Ų150.268%0.67876%0.762SS**G310 helixtrans-83.2-10.1-175.500000114.8
437E41.3Very low42.2Very low167 Ų167152 Ų15278%0.7877%0.769SS**G310 helixtrans-90-7.7-174.5-71.8-172.5152.400115.2
438H46.1Very low42.3Very low183 Ų183150 Ų15085%0.84777%0.772SS**G310 helixtrans-121.142.3-179.6-84.3-57.4000115.3
439R40.6Very low42.3Very low231 Ų231147.6 Ų147.687%0.87277%0.774SS**  trans-141.385.2157.2-74.9-168.3-173.5-179.41.8111.2R441R439-R441 PolarHBondContact O-N 3.11Å
440R37.6Very low42Very low252 Ų252148.2 Ų148.295%0.95178%0.779SS**PPolyproline II helixtrans-67119.3157-75.4-171.1-177.4-171.91.3108
441R38.8Very low42.2Very low216 Ų216150.5 Ų150.582%0.81579%0.789SS**PPolyproline II helixtrans-59.5137.1173.1-73.2176.2175.2166.5-2.5110.5R439R439-R441 PolarHBondContact O-N 3.11Å
442T38.4Very low42Very low140 Ų140149.5 Ų149.586%0.85979%0.789SS**PPolyproline II helixtrans-88.9119.3139.848.80000106.2
443D38.8Very low42.3Very low136 Ų136148.7 Ų148.773%0.72780%0.795SS**PPolyproline II helixtrans-73.7124.8-179.6-67.5-40.3000110.7
444S36.2Very low42.7Very low114 Ų114146.9 Ų146.980%0.79780%0.798SS**  trans-146.8113.4153.652.30000107.5
445E48.2Very low43.4Very low193 Ų193142.5 Ų142.590%0.90279%0.786SS**  trans-66.4158-179.2-63.8174.1143.100111.4
446A45.7Very low44.8Very low95 Ų95142.7 Ų142.779%0.78580%0.795SS**  trans86.481.717600000117
447T38.8Very low46.4Very low138 Ų138142.3 Ų142.385%0.84778%0.78SS**  trans-153106.7132.7-51.40000108.2G449T447-G449 PolarHBondContact O-N 2.95Å
448M41.1Very low48.5Very low192 Ų192138 Ų13895%0.94677%0.767SS**  trans-68.1102.1166.7-69.2-133.7-51.500108.3S450M448-S450 PolarHBondContact O-N 3.05Å; M448-S450 VanDerWaalsContact O-N 3.15Å
449G37.9Very low50.1Low64 Ų64133.5 Ų133.566%0.6675%0.754SS**  trans-71.7101.3172.200000110.4T447 I451T447-G449 PolarHBondContact O-N 2.95Å; G449-I451 PolarHBondContact O-N 3.45Å; G449-I451 VanDerWaalsContact O-N 3.13Å
450S41.5Very low52.1Low113 Ų113128.1 Ų128.179%0.7974%0.738SS**  trans-64.2104.2164.4178.20000109M448 G452M448-S450 PolarHBondContact O-N 3.05Å; M448-S450 VanDerWaalsContact O-N 3.15Å; S450-G452 PolarHBondContact O-N 3.3Å
451I49.2Very low54.4Low174 Ų174118.7 Ų118.789%0.89271%0.709SS**  trans-89.868165.4-53.9172.1000106.7G449G449-I451 PolarHBondContact O-N 3.45Å; G449-I451 VanDerWaalsContact O-N 3.13Å
452G43.9Very low56.5Low43 Ų43111.6 Ų111.644%0.44369%0.689SS.*  trans-108.597.9163.700000107.5S450 C454S450-G452 PolarHBondContact O-N 3.3Å; G452-C454 PolarHBondContact O-N 2.92Å
453S52.2Low58.7Low120 Ų120112.6 Ų112.684%0.83968%0.677SS**  trans-70.175.4164.2174.60000107.9S455S453-S455 PolarHBondContact O-N 2.93Å
454C50.9Low60.9Low113 Ų113111 Ų11176%0.76467%0.666SS**  trans-68.297.2168.6-66.30000106.8G452 T456G452-C454 PolarHBondContact O-N 2.92Å; C454-T456 PolarHBondContact O-N 3.31Å; C454-T456 VanDerWaalsContact O-N 3.12Å
455S58.8Low63.2Low86 Ų86111.4 Ų111.460%0.60165%0.653SS**  trans-57.5120171.3630000108.1S453 I457S453-S455 PolarHBondContact O-N 2.93Å; S455-I457 PolarHBondContact O-N 3.26Å; S455-I457 PolarHBondContact OG-O 3.03Å
456T71.9Confident65.1Low145 Ų145105.4 Ų105.489%0.8963%0.629SS**SBendtrans-62.8-11.9-176.2-30.20000113.1C454C454-T456 PolarHBondContact O-N 3.31Å; C454-T456 VanDerWaalsContact O-N 3.12Å
457I76.8Confident66.9Low74 Ų74109.8 Ų109.838%0.37963%0.625SS.*SBendtrans-115.9125-178.4-54.4174.5000108.6S455 V461 V462S455-I457 PolarHBondContact O-N 3.26Å; S455-I457 PolarHBondContact OG-O 3.03Å; I457-V461 HydrophobicContact CG2-CB 3.76Å; I457-V461 HydrophobicContact CG2-CG1 3.76Å; I457-V462 HydrophobicContact CB-CG2 4.21Å; I457-V462 HydrophobicContact CG2-CG2 3.75Å
458P84.8Confident68.9Low76 Ų76109.5 Ų109.549%0.49461%0.609SS.*  trans-56.7141.6174.6-2332.1000111.4E460 V461 V462P458-E460 PolarHBondContact O-N 3.42Å; P458-E460 VanDerWaalsContact O-N 3.09Å; P458-V461 HydrophobicContact CB-CG2 4.21Å; P458-V461 HydrophobicContact CG-CG2 4.21Å; P458-V461 PolarHBondContact O-N 3.31Å; P458-V462 PolarHBondContact O-N 3.08Å
459P80.8Confident71.1Confident88 Ų88106.1 Ų106.157%0.57159%0.591SS**Hα-helixtrans-58.8-27.7-178.723-33.3000112.6V462 R463P459-V462 PolarHBondContact O-N 3.42Å; P459-R463 WeakPolarHBondContact O-CG 3.49Å; P459-R463 PolarHBondContact O-N 3.08Å
460E82.8Confident73.3Confident118 Ų118105.4 Ų105.455%0.55157%0.572SS**Hα-helixtrans-66.9-39.8176.1-163.555.7-151.700112.6P458 V462 R463 Q464P458-E460 PolarHBondContact O-N 3.42Å; P458-E460 VanDerWaalsContact O-N 3.09Å; E460-V462 VanDerWaalsContact C-N 3.32Å; E460-V462 PolarHBondContact O-N 2.89Å; E460-R463 PolarHBondContact O-N 2.94Å; E460-R463 IonicContact OE2-CZ 2.89Å; E460-R463 IonicContact OE2-NH1 3.01Å; E460-R463 PolarHBondContact OE2-NH1 3.24Å; E460-Q464 PolarHBondContact O-N 3.39Å
461V85.1Confident75.2Confident54 Ų54102.7 Ų102.733%0.32755%0.55SS.*Hα-helixtrans-67.7-36.2174.6178.70000110.5I457 P458 Q464 K465I457-V461 HydrophobicContact CG2-CB 3.76Å; I457-V461 HydrophobicContact CG2-CG1 3.76Å; P458-V461 HydrophobicContact CB-CG2 4.21Å; P458-V461 HydrophobicContact CG-CG2 4.21Å; P458-V461 PolarHBondContact O-N 3.31Å; V461-Q464 PolarHBondContact O-N 3.04Å; V461-K465 HydrophobicContact CG1-CD 4.37Å; V461-K465 WeakPolarHBondContact O-CB 3.43Å; V461-K465 WeakPolarHBondContact O-CG 3.4Å; V461-K465 PolarHBondContact O-N 3.4Å
462V83.7Confident76.7Confident67 Ų67102.3 Ų102.341%0.40654%0.542SS..Hα-helixtrans-63.8-47.9174.6-179.80000110.6I457 P458 P459 E460 Q464 K465 V466I457-V462 HydrophobicContact CB-CG2 4.21Å; I457-V462 HydrophobicContact CG2-CG2 3.75Å; P458-V462 PolarHBondContact O-N 3.08Å; P459-V462 PolarHBondContact O-N 3.42Å; E460-V462 VanDerWaalsContact C-N 3.32Å; E460-V462 PolarHBondContact O-N 2.89Å; V462-Q464 VanDerWaalsContact C-N 3.33Å; V462-Q464 PolarHBondContact O-N 3.49Å; V462-K465 PolarHBondContact O-N 3.06Å; V462-V466 HydrophobicContact CG1-CG2 4.29Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.19Å
463R83.9Confident78.4Confident161 Ų161105.8 Ų105.861%0.60855%0.547SS*.Hα-helixtrans-57.9-44.8175.5-72174.1-169.7166.8-5.1111.8P459 E460 K465 V466 R467P459-R463 WeakPolarHBondContact O-CG 3.49Å; P459-R463 PolarHBondContact O-N 3.08Å; E460-R463 PolarHBondContact O-N 2.94Å; E460-R463 IonicContact OE2-CZ 2.89Å; E460-R463 IonicContact OE2-NH1 3.01Å; E460-R463 PolarHBondContact OE2-NH1 3.24Å; R463-K465 PolarHBondContact O-N 3.39Å; R463-V466 PolarHBondContact O-N 3.1Å; R463-R467 VanDerWaalsContact O-CB 3.28Å; R463-R467 WeakPolarHBondContact O-CB 3.43Å; R463-R467 PolarHBondContact O-N 2.92Å
464Q84.5Confident79.8Confident104 Ų104104.7 Ų104.749%0.48653%0.529SS..Hα-helixtrans-63.1-42.1178.3-162.8-173.720.500111.9E460 V461 V462 R468E460-Q464 PolarHBondContact O-N 3.39Å; V461-Q464 PolarHBondContact O-N 3.04Å; V462-Q464 VanDerWaalsContact C-N 3.33Å; V462-Q464 PolarHBondContact O-N 3.49Å; Q464-R468 WeakPolarHBondContact O-CB 3.49Å; Q464-R468 VanDerWaalsContact O-CG 3.3Å; Q464-R468 WeakPolarHBondContact O-CG 3.5Å; Q464-R468 PolarHBondContact O-N 3.21Å
465K85.3Confident80.9Confident122 Ų122102.3 Ų102.353%0.5351%0.505SS..Hα-helixtrans-63.9-46.6175.8-77.4-179178.6-178.20112V461 V462 R463 R467 R468 Q469V461-K465 HydrophobicContact CG1-CD 4.37Å; V461-K465 WeakPolarHBondContact O-CB 3.43Å; V461-K465 WeakPolarHBondContact O-CG 3.4Å; V461-K465 PolarHBondContact O-N 3.4Å; V462-K465 PolarHBondContact O-N 3.06Å; R463-K465 PolarHBondContact O-N 3.39Å; K465-R467 PolarHBondContact O-N 2.92Å; K465-R468 PolarHBondContact O-N 3.33Å; K465-Q469 PolarHBondContact O-N 3.37Å
466V88Confident81.8Confident67 Ų67100.4 Ų100.441%0.40650%0.495SS..Hα-helixtrans-62.4-43.9177.8172.60000110.8V462 R463 R468 Q469 L470V462-V466 HydrophobicContact CG1-CG2 4.29Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.19Å; R463-V466 PolarHBondContact O-N 3.1Å; V466-R468 PolarHBondContact O-N 3.3Å; V466-Q469 PolarHBondContact O-N 2.95Å; V466-L470 HydrophobicContact CG1-CD1 3.8Å; V466-L470 PolarHBondContact O-N 3.14Å
467R82.6Confident82Confident186 Ų18695.8 Ų95.870%0.70247%0.471SS*.Hα-helixtrans-61.7-43175.7-171.2176.4-179.5175.22.4112R463 K465 Q469 T471R463-R467 VanDerWaalsContact O-CB 3.28Å; R463-R467 WeakPolarHBondContact O-CB 3.43Å; R463-R467 PolarHBondContact O-N 2.92Å; K465-R467 PolarHBondContact O-N 2.92Å; R467-Q469 VanDerWaalsContact C-N 3.33Å; R467-Q469 PolarHBondContact O-N 2.95Å; R467-T471 WeakPolarHBondContact O-CB 3.49Å; R467-T471 VanDerWaalsContact O-CG2 3.26Å; R467-T471 WeakPolarHBondContact O-CG2 3.4Å; R467-T471 PolarHBondContact O-N 2.93Å; R467-T471 PolarHBondContact O-OG1 3.13Å
468R81.9Confident81.8Confident133 Ų13396 Ų9650%0.50247%0.471SS..Hα-helixtrans-61.1-40.2174.2-77175.4176.6-160.2-4.1111.7Q464 K465 V466 T471 K472Q464-R468 WeakPolarHBondContact O-CB 3.49Å; Q464-R468 VanDerWaalsContact O-CG 3.3Å; Q464-R468 WeakPolarHBondContact O-CG 3.5Å; Q464-R468 PolarHBondContact O-N 3.21Å; K465-R468 PolarHBondContact O-N 3.33Å; V466-R468 PolarHBondContact O-N 3.3Å; R468-T471 WeakPolarHBondContact CA-OG1 3.48Å; R468-T471 PolarHBondContact O-OG1 3.05Å; R468-K472 WeakPolarHBondContact O-CB 3.23Å; R468-K472 PolarHBondContact O-N 3.25Å
469Q87.1Confident81.2Confident120 Ų12096.7 Ų96.756%0.56146%0.463SS*.Hα-helixtrans-68.3-47.4178.8-173.9174.10.300112.4K465 V466 R467 K472 Q473K465-Q469 PolarHBondContact O-N 3.37Å; V466-Q469 PolarHBondContact O-N 2.95Å; R467-Q469 VanDerWaalsContact C-N 3.33Å; R467-Q469 PolarHBondContact O-N 2.95Å; Q469-K472 WeakPolarHBondContact O-CB 3.09Å; Q469-K472 PolarHBondContact O-N 2.78Å; Q469-Q473 PolarHBondContact O-N 2.87Å
470L84.1Confident80.9Confident50 Ų50101.3 Ų101.326%0.26247%0.469SS..Hα-helixtrans-61.5-46.7177.8-78.4162.7000111.6L412 V466 K472 Q473 Q474L412-L470 HydrophobicContact CD2-CD1 4.14Å; V466-L470 HydrophobicContact CG1-CD1 3.8Å; V466-L470 PolarHBondContact O-N 3.14Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.21Å; L470-Q473 PolarHBondContact O-N 3.42Å; L470-Q473 VanDerWaalsContact O-N 3.16Å; L470-Q474 WeakPolarHBondContact O-CG 3.32Å; L470-Q474 PolarHBondContact O-N 3.36Å
471T80.7Confident80.3Confident56 Ų56105.1 Ų105.134%0.34448%0.479SS..Hα-helixtrans-62.5-36.7177.351.80000112.1R467 R468 K475R467-T471 WeakPolarHBondContact O-CB 3.49Å; R467-T471 VanDerWaalsContact O-CG2 3.26Å; R467-T471 WeakPolarHBondContact O-CG2 3.4Å; R467-T471 PolarHBondContact O-N 2.93Å; R467-T471 PolarHBondContact O-OG1 3.13Å; R468-T471 WeakPolarHBondContact CA-OG1 3.48Å; R468-T471 PolarHBondContact O-OG1 3.05Å; T471-K475 WeakPolarHBondContact O-CB 3.16Å; T471-K475 VanDerWaalsContact O-CG 3.28Å; T471-K475 WeakPolarHBondContact O-CG 3.48Å; T471-K475 PolarHBondContact O-N 3.18Å
472K80.6Confident79.5Confident166 Ų166105.1 Ų105.172%0.72248%0.476SS*.Hα-helixtrans-63-43.5173.7-171.1175.4-178.41770111.7R468 Q469 L470 A476R468-K472 WeakPolarHBondContact O-CB 3.23Å; R468-K472 PolarHBondContact O-N 3.25Å; Q469-K472 WeakPolarHBondContact O-CB 3.09Å; Q469-K472 PolarHBondContact O-N 2.78Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.21Å; K472-A476 WeakPolarHBondContact O-CB 3.22Å; K472-A476 PolarHBondContact O-N 3.22Å
473Q81Confident78.7Confident116 Ų116107.3 Ų107.354%0.54248%0.482SS..Hα-helixtrans-65-47177.3-72.1-178.9-3.500112.2Q469 L470 K475 A476 A477Q469-Q473 PolarHBondContact O-N 2.87Å; L470-Q473 PolarHBondContact O-N 3.42Å; L470-Q473 VanDerWaalsContact O-N 3.16Å; Q473-K475 PolarHBondContact O-N 3.44Å; Q473-A476 PolarHBondContact O-N 3.17Å; Q473-A477 PolarHBondContact O-N 3.35Å
474Q79.7Confident77.7Confident97 Ų97107.1 Ų107.145%0.45349%0.486SS..Hα-helixtrans-60.3-45177.5-72.8179.2-13.500111.8L470 A476 A477 Q478L470-Q474 WeakPolarHBondContact O-CG 3.32Å; L470-Q474 PolarHBondContact O-N 3.36Å; Q474-A476 PolarHBondContact O-N 3.15Å; Q474-A477 PolarHBondContact O-N 3.43Å; Q474-Q478 WeakPolarHBondContact O-CB 3.31Å; Q474-Q478 PolarHBondContact O-N 3.01Å
475K75.3Confident76.6Confident63 Ų63104.1 Ų104.127%0.27448%0.483SS..Hα-helixtrans-62-40.8175.8-75.9-178.4177.2-170.70112.3T471 Q473 Q478 R479T471-K475 WeakPolarHBondContact O-CB 3.16Å; T471-K475 VanDerWaalsContact O-CG 3.28Å; T471-K475 WeakPolarHBondContact O-CG 3.48Å; T471-K475 PolarHBondContact O-N 3.18Å; Q473-K475 PolarHBondContact O-N 3.44Å; K475-Q478 PolarHBondContact O-N 3.21Å; K475-R479 WeakPolarHBondContact O-CG 3.49Å; K475-R479 PolarHBondContact O-N 3.02Å
476A77.2Confident75.1Confident46 Ų46101.6 Ų101.638%0.3847%0.473SS..Hα-helixtrans-63-42.6176.900000111.9K472 Q473 Q474 R479 R480K472-A476 WeakPolarHBondContact O-CB 3.22Å; K472-A476 PolarHBondContact O-N 3.22Å; Q473-A476 PolarHBondContact O-N 3.17Å; Q474-A476 PolarHBondContact O-N 3.15Å; A476-R479 PolarHBondContact O-N 3.38Å; A476-R480 WeakPolarHBondContact O-CG 3.5Å; A476-R480 PolarHBondContact O-N 3Å
477A76.6Confident73.6Confident48 Ų48100.9 Ų100.940%0.39747%0.474SS..Hα-helixtrans-63.5-41.9174.800000112Q473 Q474 R480 R481Q473-A477 PolarHBondContact O-N 3.35Å; Q474-A477 PolarHBondContact O-N 3.43Å; A477-R480 PolarHBondContact O-N 3.08Å; A477-R481 PolarHBondContact O-N 3.38Å; A477-R481 VanDerWaalsContact O-N 3.17Å
478Q73.1Confident72.7Confident78 Ų7897.4 Ų97.436%0.36447%0.469SS..Hα-helixtrans-64.3-41.7177.3-168.8179.36.400112.3Q474 K475 R480 R481 L482Q474-Q478 WeakPolarHBondContact O-CB 3.31Å; Q474-Q478 PolarHBondContact O-N 3.01Å; K475-Q478 PolarHBondContact O-N 3.21Å; Q478-R480 VanDerWaalsContact C-N 3.34Å; Q478-R480 PolarHBondContact O-N 3.3Å; Q478-R481 WeakPolarHBondContact O-CB 3.43Å; Q478-R481 PolarHBondContact O-N 3.35Å; Q478-R481 VanDerWaalsContact O-N 3.15Å; Q478-L482 HydrophobicContact CG-CD1 4.14Å; Q478-L482 WeakPolarHBondContact O-CG 3.41Å; Q478-L482 PolarHBondContact O-N 2.97Å
479R70.6Confident71.7Confident91 Ų9193.6 Ų93.634%0.34346%0.459SS..Hα-helixtrans-56.6-46.4174.2-77.7-178.4176.8-146.90.4111.8S40 K475 A476 R481 L482 Q483S40-R479 WeakPolarHBondContact OG-CG 3.49Å; S40-R479 PolarHBondContact OG-NE 3.4Å; K475-R479 WeakPolarHBondContact O-CG 3.49Å; K475-R479 PolarHBondContact O-N 3.02Å; A476-R479 PolarHBondContact O-N 3.38Å; R479-R481 VanDerWaalsContact C-N 3.3Å; R479-R481 PolarHBondContact O-N 3.07Å; R479-L482 PolarHBondContact O-N 3.29Å; R479-Q483 WeakPolarHBondContact O-CG 3.47Å; R479-Q483 PolarHBondContact O-N 2.69Å
480R74.9Confident70.9Confident184 Ų18491.7 Ų91.769%0.69446%0.455SS*.Hα-helixtrans-60.9-36.8176.8-69.2177.4-178.5-178.90.6112.6A476 A477 Q478A476-R480 WeakPolarHBondContact O-CG 3.5Å; A476-R480 PolarHBondContact O-N 3Å; A477-R480 PolarHBondContact O-N 3.08Å; Q478-R480 VanDerWaalsContact C-N 3.34Å; Q478-R480 PolarHBondContact O-N 3.3Å
481R71.1Confident70.4Confident198 Ų19892.8 Ų92.875%0.74746%0.464SS*.Hα-helixtrans-67.1-42.7176-69.9179.1-178-179.41.7111.7A477 Q478 R479 K484A477-R481 PolarHBondContact O-N 3.38Å; A477-R481 VanDerWaalsContact O-N 3.17Å; Q478-R481 WeakPolarHBondContact O-CB 3.43Å; Q478-R481 PolarHBondContact O-N 3.35Å; Q478-R481 VanDerWaalsContact O-N 3.15Å; R479-R481 VanDerWaalsContact C-N 3.3Å; R479-R481 PolarHBondContact O-N 3.07Å; R481-K484 WeakPolarHBondContact O-CB 3.37Å; R481-K484 PolarHBondContact O-N 3.32Å
482L67.8Low70.1Confident54 Ų5496 Ų9628%0.28347%0.473SS..Hα-helixtrans-71-35.5-178.1-70.5165.6000113Q478 R479 K484 G485Q478-L482 HydrophobicContact CG-CD1 4.14Å; Q478-L482 WeakPolarHBondContact O-CG 3.41Å; Q478-L482 PolarHBondContact O-N 2.97Å; R479-L482 PolarHBondContact O-N 3.29Å; L482-K484 PolarHBondContact O-N 3.36Å; L482-G485 PolarHBondContact O-N 3.24Å
483Q66.1Low69.9Low113 Ų11391 Ų9153%0.52846%0.459SS..Hα-helixtrans-58.9-32.8174.3-76.2174.1-17.300112.6R479 G485 E486R479-Q483 WeakPolarHBondContact O-CG 3.47Å; R479-Q483 PolarHBondContact O-N 2.69Å; Q483-G485 PolarHBondContact O-N 3.14Å; Q483-E486 PolarHBondContact O-N 3.37Å; Q483-E486 VanDerWaalsContact O-N 3.13Å
484K64.6Low69.9Low158 Ų15893.8 Ų93.869%0.68747%0.465SS*.Hα-helixtrans-63.2-25174.5-66.2-178.9179-174.40112.8R481 L482 E486 A487R481-K484 WeakPolarHBondContact O-CB 3.37Å; R481-K484 PolarHBondContact O-N 3.32Å; L482-K484 PolarHBondContact O-N 3.36Å; K484-E486 VanDerWaalsContact C-N 3.31Å; K484-E486 PolarHBondContact O-N 3.48Å; K484-A487 WeakPolarHBondContact O-CB 3.3Å; K484-A487 PolarHBondContact O-N 3.13Å
485G60.2Low70.1Confident41 Ų4197.3 Ų97.342%0.42347%0.474SS..Hα-helixtrans-67.8-27.9175.500000113.4L482 Q483 A487 N488L482-G485 PolarHBondContact O-N 3.24Å; Q483-G485 PolarHBondContact O-N 3.14Å; G485-A487 VanDerWaalsContact C-N 3.25Å; G485-A487 PolarHBondContact O-N 3.46Å; G485-N488 VanDerWaalsContact O-CB 3.3Å; G485-N488 WeakPolarHBondContact O-CB 3.48Å; G485-N488 PolarHBondContact O-N 3.36Å; G485-N488 VanDerWaalsContact O-N 3.14Å
486E55Low70.5Confident68 Ų6897.7 Ų97.732%0.31848%0.479SS..Hα-helixtrans-69.8-26.6177.9-64.3176.4-174.100111.7S36 Q483 K484 N488 L489S36-E486 WeakPolarHBondContact CB-OE1 3.21Å; S36-E486 PolarHBondContact OG-OE1 3.41Å; Q483-E486 PolarHBondContact O-N 3.37Å; Q483-E486 VanDerWaalsContact O-N 3.13Å; K484-E486 VanDerWaalsContact C-N 3.31Å; K484-E486 PolarHBondContact O-N 3.48Å; E486-N488 PolarHBondContact O-N 3.37Å; E486-L489 PolarHBondContact O-N 3.22Å
487A56.5Low70.9Confident52 Ų5299.8 Ų99.843%0.4348%0.484SS..Hα-helixtrans-64.4-18.2172.300000113.4K484 G485 L489 V490 T491K484-A487 WeakPolarHBondContact O-CB 3.3Å; K484-A487 PolarHBondContact O-N 3.13Å; G485-A487 VanDerWaalsContact C-N 3.25Å; G485-A487 PolarHBondContact O-N 3.46Å; A487-L489 PolarHBondContact O-N 2.85Å; A487-V490 PolarHBondContact O-N 3.25Å; A487-T491 WeakPolarHBondContact O-CG2 3.36Å; A487-T491 PolarHBondContact O-N 3.04Å; A487-T491 PolarHBondContact O-OG1 3.23Å
488N62.3Low71.4Confident113 Ų113102.7 Ų102.760%0.60449%0.489SS*.Hα-helixtrans-64.5-22.5179.7-83.8-17.3000114.2G485 E486 T491 K492G485-N488 VanDerWaalsContact O-CB 3.3Å; G485-N488 WeakPolarHBondContact O-CB 3.48Å; G485-N488 PolarHBondContact O-N 3.36Å; G485-N488 VanDerWaalsContact O-N 3.14Å; E486-N488 PolarHBondContact O-N 3.37Å; N488-T491 VanDerWaalsContact C-OG1 3.23Å; N488-T491 WeakPolarHBondContact CA-OG1 3.48Å; N488-T491 PolarHBondContact O-OG1 3Å; N488-K492 WeakPolarHBondContact O-CB 3.44Å; N488-K492 PolarHBondContact O-N 3.29Å
489L61.2Low72Confident54 Ų54102.5 Ų102.528%0.28349%0.491SS..Hα-helixtrans-85.2-35.8178.9-87.1155.6000112.5E486 A487 T491 K492 S493E486-L489 PolarHBondContact O-N 3.22Å; A487-L489 PolarHBondContact O-N 2.85Å; L489-T491 VanDerWaalsContact C-N 3.3Å; L489-K492 PolarHBondContact O-N 2.89Å; L489-S493 PolarHBondContact O-N 3.46Å
490V69.7Low72.8Confident80 Ų80103 Ų10349%0.48550%0.5SS..Hα-helixtrans-63.8-41.8169.9178.10000109.6A487 S493 R494A487-V490 PolarHBondContact O-N 3.25Å; V490-S493 PolarHBondContact O-N 2.87Å; V490-R494 WeakPolarHBondContact O-CB 3.33Å; V490-R494 VanDerWaalsContact O-CG 3.28Å; V490-R494 WeakPolarHBondContact O-CG 3.33Å; V490-R494 PolarHBondContact O-N 2.88Å
491T73.6Confident73.3Confident73 Ų7399.2 Ų99.245%0.44849%0.492SS..Hα-helixtrans-66.7-36.5174.658.90000112.1A487 N488 L489 R494 R495A487-T491 WeakPolarHBondContact O-CG2 3.36Å; A487-T491 PolarHBondContact O-N 3.04Å; A487-T491 PolarHBondContact O-OG1 3.23Å; N488-T491 VanDerWaalsContact C-OG1 3.23Å; N488-T491 WeakPolarHBondContact CA-OG1 3.48Å; N488-T491 PolarHBondContact O-OG1 3Å; L489-T491 VanDerWaalsContact C-N 3.3Å; T491-R494 PolarHBondContact O-N 3.1Å; T491-R495 WeakPolarHBondContact O-CB 3.38Å; T491-R495 PolarHBondContact O-N 2.95Å
492K75Confident74.1Confident123 Ų12394.9 Ų94.954%0.53548%0.479SS..Hα-helixtrans-61-51.4172.4-173.8179.4178-178.60112N488 L489 R494 R495 D496N488-K492 WeakPolarHBondContact O-CB 3.44Å; N488-K492 PolarHBondContact O-N 3.29Å; L489-K492 PolarHBondContact O-N 2.89Å; K492-R494 VanDerWaalsContact C-N 3.31Å; K492-R494 PolarHBondContact O-N 3.46Å; K492-R495 WeakPolarHBondContact O-CB 3.28Å; K492-R495 PolarHBondContact O-N 3.5Å; K492-R495 VanDerWaalsContact O-N 3.1Å; K492-D496 VanDerWaalsContact O-CG 3.3Å; K492-D496 PolarHBondContact O-N 2.91Å
493S76.8Confident74.9Confident61 Ų6195.3 Ų95.343%0.42749%0.487SS..Hα-helixtrans-61.8-38.6178.4176.70000112.3L489 V490 D496 N497L489-S493 PolarHBondContact O-N 3.46Å; V490-S493 PolarHBondContact O-N 2.87Å; S493-D496 PolarHBondContact O-N 3.44Å; S493-N497 WeakPolarHBondContact O-CB 3.4Å; S493-N497 PolarHBondContact O-N 3.23Å
494R80.7Confident75.6Confident175 Ų17593.6 Ų93.666%0.6649%0.487SS*.Hα-helixtrans-63.5-40.7173.1-75.1178.2-179.6-174.30.7112.1V490 T491 K492 N497 Q498V490-R494 WeakPolarHBondContact O-CB 3.33Å; V490-R494 VanDerWaalsContact O-CG 3.28Å; V490-R494 WeakPolarHBondContact O-CG 3.33Å; V490-R494 PolarHBondContact O-N 2.88Å; T491-R494 PolarHBondContact O-N 3.1Å; K492-R494 VanDerWaalsContact C-N 3.31Å; K492-R494 PolarHBondContact O-N 3.46Å; R494-N497 PolarHBondContact O-N 2.9Å; R494-Q498 WeakPolarHBondContact O-CB 3.48Å; R494-Q498 PolarHBondContact O-N 3.37Å
495R82.8Confident76.2Confident171 Ų17192.3 Ų92.365%0.64549%0.485SS*.Hα-helixtrans-65-44.3176.3-179.8-178.5-81.2-179.4-5.9111.3T491 K492 N497 Q498 N499T491-R495 WeakPolarHBondContact O-CB 3.38Å; T491-R495 PolarHBondContact O-N 2.95Å; K492-R495 WeakPolarHBondContact O-CB 3.28Å; K492-R495 PolarHBondContact O-N 3.5Å; K492-R495 VanDerWaalsContact O-N 3.1Å; R495-N497 PolarHBondContact O-N 2.95Å; R495-Q498 PolarHBondContact O-N 3.49Å; R495-N499 WeakPolarHBondContact O-CB 3.48Å; R495-N499 VanDerWaalsContact O-CG 3.25Å; R495-N499 PolarHBondContact O-N 2.99Å
496D84.3Confident76.9Confident71 Ų7196.5 Ų96.538%0.3849%0.494SS..Hα-helixtrans-62.5-43.7178-64.6-18.9000110.6K492 S493 Q498 N499 N500K492-D496 VanDerWaalsContact O-CG 3.3Å; K492-D496 PolarHBondContact O-N 2.91Å; S493-D496 PolarHBondContact O-N 3.44Å; D496-Q498 PolarHBondContact O-N 3Å; D496-N499 PolarHBondContact O-N 2.97Å; D496-N500 VanDerWaalsContact O-CG 3.28Å; D496-N500 PolarHBondContact O-N 2.86Å
497N86.6Confident77.4Confident90 Ų9096.6 Ų96.648%0.48150%0.502SS..Hα-helixtrans-62-42.8173.6-74.5-2.9000112.3S493 R494 R495 N499 N500 I501S493-N497 WeakPolarHBondContact O-CB 3.4Å; S493-N497 PolarHBondContact O-N 3.23Å; R494-N497 PolarHBondContact O-N 2.9Å; R495-N497 PolarHBondContact O-N 2.95Å; N497-N499 VanDerWaalsContact C-N 3.32Å; N497-N499 PolarHBondContact O-N 3.33Å; N497-N500 PolarHBondContact O-N 3.47Å; N497-I501 WeakPolarHBondContact O-CD1 3.48Å; N497-I501 VanDerWaalsContact O-CG1 3.25Å; N497-I501 WeakPolarHBondContact O-CG1 3.37Å; N497-I501 PolarHBondContact O-N 3.29Å
498Q86.6Confident77.5Confident108 Ų10897.7 Ų97.751%0.50551%0.511SS..Hα-helixtrans-63.3-39.4177.3-172177.815.500111.8R494 R495 D496 I501 K502R494-Q498 WeakPolarHBondContact O-CB 3.48Å; R494-Q498 PolarHBondContact O-N 3.37Å; R495-Q498 PolarHBondContact O-N 3.49Å; D496-Q498 PolarHBondContact O-N 3Å; Q498-I501 PolarHBondContact O-N 3.46Å; Q498-K502 WeakPolarHBondContact O-CG 3.25Å; Q498-K502 PolarHBondContact O-N 3.48Å
499N86.4Confident77.4Confident74 Ų7496.6 Ų96.640%0.39651%0.512SS..Hα-helixtrans-65.7-43.5175.8-71.5-13.7000111.2R495 D496 N497 I501 K502 S503R495-N499 WeakPolarHBondContact O-CB 3.48Å; R495-N499 VanDerWaalsContact O-CG 3.25Å; R495-N499 PolarHBondContact O-N 2.99Å; D496-N499 PolarHBondContact O-N 2.97Å; N497-N499 VanDerWaalsContact C-N 3.32Å; N497-N499 PolarHBondContact O-N 3.33Å; N499-I501 VanDerWaalsContact C-N 3.34Å; N499-I501 PolarHBondContact O-N 3.09Å; N499-K502 PolarHBondContact O-N 3.38Å; N499-S503 PolarHBondContact O-N 3.14Å; N499-S503 PolarHBondContact O-OG 2.9Å
500N86.4Confident77.1Confident103 Ų103101.9 Ų101.955%0.55153%0.533SS*.Hα-helixtrans-59.4-45.5175.4-69.7-15.9000111.5D496 N497 K502 S503 S504D496-N500 VanDerWaalsContact O-CG 3.28Å; D496-N500 PolarHBondContact O-N 2.86Å; N497-N500 PolarHBondContact O-N 3.47Å; N500-K502 PolarHBondContact O-N 3.44Å; N500-S503 PolarHBondContact O-N 2.98Å; N500-S504 WeakPolarHBondContact O-CB 3.47Å; N500-S504 PolarHBondContact O-N 3.47Å; N500-S504 PolarHBondContact O-OG 2.92Å; N500-S504 VanDerWaalsContact O-OG 3.09Å
501I86.8Confident76.5Confident103 Ų103108.5 Ų108.553%0.52855%0.55SS..Hα-helixtrans-59.9-46.2176.8-67.2163.1000110.6N497 Q498 N499 S504 M505N497-I501 WeakPolarHBondContact O-CD1 3.48Å; N497-I501 VanDerWaalsContact O-CG1 3.25Å; N497-I501 WeakPolarHBondContact O-CG1 3.37Å; N497-I501 PolarHBondContact O-N 3.29Å; Q498-I501 PolarHBondContact O-N 3.46Å; N499-I501 VanDerWaalsContact C-N 3.34Å; N499-I501 PolarHBondContact O-N 3.09Å; I501-S504 PolarHBondContact O-N 3.24Å; I501-M505 HydrophobicContact CG2-SD 4.08Å; I501-M505 VanDerWaalsContact O-CG 3.32Å; I501-M505 WeakPolarHBondContact O-CG 3.45Å; I501-M505 PolarHBondContact O-N 3.5Å
502K87.4Confident75.5Confident107 Ų107111.2 Ų111.247%0.46559%0.592SS.*Hα-helixtrans-60.5-48.7178-76.5179.8177.5-173.80112Q498 N499 N500 S504 M505 E506Q498-K502 WeakPolarHBondContact O-CG 3.25Å; Q498-K502 PolarHBondContact O-N 3.48Å; N499-K502 PolarHBondContact O-N 3.38Å; N500-K502 PolarHBondContact O-N 3.44Å; K502-S504 VanDerWaalsContact C-N 3.32Å; K502-S504 PolarHBondContact O-N 3.22Å; K502-M505 PolarHBondContact O-N 2.92Å; K502-M505 VanDerWaalsContact O-N 3.14Å; K502-E506 WeakPolarHBondContact O-CG 3.32Å; K502-E506 PolarHBondContact O-N 3.4Å
503S83.3Confident75.5Confident63 Ų63110.6 Ų110.644%0.44160%0.595SS.*Hα-helixtrans-62.9-37178.5-64.80000112.4N499 N500 S507N499-S503 PolarHBondContact O-N 3.14Å; N499-S503 PolarHBondContact O-OG 2.9Å; N500-S503 PolarHBondContact O-N 2.98Å; S503-S507 WeakPolarHBondContact O-CB 3.4Å; S503-S507 PolarHBondContact O-N 2.68Å; S503-S507 PolarHBondContact O-OG 2.74Å
504S81.6Confident75.4Confident78 Ų78113.2 Ų113.255%0.54560%0.603SS.*Hα-helixtrans-66.1-38172.9-640000112.8N500 I501 K502 S507 A508N500-S504 WeakPolarHBondContact O-CB 3.47Å; N500-S504 PolarHBondContact O-N 3.47Å; N500-S504 PolarHBondContact O-OG 2.92Å; N500-S504 VanDerWaalsContact O-OG 3.09Å; I501-S504 PolarHBondContact O-N 3.24Å; K502-S504 VanDerWaalsContact C-N 3.32Å; K502-S504 PolarHBondContact O-N 3.22Å; S504-S507 PolarHBondContact O-N 3.02Å; S504-A508 WeakPolarHBondContact O-CB 3.42Å; S504-A508 PolarHBondContact O-N 3.34Å
505M78.1Confident75.1Confident130 Ų130109.8 Ų109.864%0.6460%0.6SS**Hα-helixtrans-69.8-39.7176.6-70.5-179.47300112.7I501 K502 A508 S509I501-M505 HydrophobicContact CG2-SD 4.08Å; I501-M505 VanDerWaalsContact O-CG 3.32Å; I501-M505 WeakPolarHBondContact O-CG 3.45Å; I501-M505 PolarHBondContact O-N 3.5Å; K502-M505 PolarHBondContact O-N 2.92Å; K502-M505 VanDerWaalsContact O-N 3.14Å; M505-A508 PolarHBondContact O-N 2.98Å; M505-S509 PolarHBondContact O-N 3.18Å; M505-S509 PolarHBondContact O-OG 3.37Å
506E74.3Confident74.7Confident130 Ų130106.2 Ų106.261%0.60760%0.598SS**Hα-helixtrans-65.4-38.6173.9-73.1170.6-178.100111.5K502 S509 F510K502-E506 WeakPolarHBondContact O-CG 3.32Å; K502-E506 PolarHBondContact O-N 3.4Å; E506-S509 WeakPolarHBondContact CA-OG 3.36Å; E506-S509 PolarHBondContact O-N 3.14Å; E506-S509 PolarHBondContact O-OG 3.33Å; E506-F510 PolarHBondContact O-N 3.19Å
507S64.8Low74.1Confident69 Ų69108.4 Ų108.448%0.48361%0.611SS.*Hα-helixtrans-66.7-37.7175.1-54.80000112.2S503 S504 S509 F510S503-S507 WeakPolarHBondContact O-CB 3.4Å; S503-S507 PolarHBondContact O-N 2.68Å; S503-S507 PolarHBondContact O-OG 2.74Å; S504-S507 PolarHBondContact O-N 3.02Å; S507-S509 VanDerWaalsContact C-N 3.28Å; S507-S509 PolarHBondContact O-N 3.44Å; S507-F510 PolarHBondContact O-N 3.35Å
508A60.1Low73.2Confident75 Ų75109.6 Ų109.662%0.6262%0.62SS**Hα-helixtrans-70.1-23.6177.400000113.2S504 M505S504-A508 WeakPolarHBondContact O-CB 3.42Å; S504-A508 PolarHBondContact O-N 3.34Å; M505-A508 PolarHBondContact O-N 2.98Å
509S59.7Low72.3Confident90 Ų90109.7 Ų109.763%0.62963%0.628SS**Hα-helixtrans-90.2-12.4175.731.80000113.6M505 E506 S507M505-S509 PolarHBondContact O-N 3.18Å; M505-S509 PolarHBondContact O-OG 3.37Å; E506-S509 WeakPolarHBondContact CA-OG 3.36Å; E506-S509 PolarHBondContact O-N 3.14Å; E506-S509 PolarHBondContact O-OG 3.33Å; S507-S509 VanDerWaalsContact C-N 3.28Å; S507-S509 PolarHBondContact O-N 3.44Å
510F54.8Low71.2Confident165 Ų165112.5 Ų112.572%0.72465%0.646SS**Hα-helixtrans-84.5-26.5174.4-176.2-97.7000113.7E506 S507E506-F510 PolarHBondContact O-N 3.19Å; S507-F510 PolarHBondContact O-N 3.35Å
511W56.5Low69.9Low220 Ų220113.3 Ų113.383%0.83365%0.654SS**  trans-99.116.4175.7-66.1102.6000113.4
512G51.8Low68.4Low129 Ų129114.2 Ų114.2100%1.3367%0.665SS**  trans-86.80174.400000112.4

Retrieved 512 of 512 residues in 746.2 ms (Link to these results)

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