A0A5K4EDX8_SCHMA Loading...

Putative ubiquitin (Ribosomal protein L40)

AlphaFold DB , UniProt , Accession A0A5K4EDX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 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
1M93Very high90.2Very high61 Ų6165.2 Ų65.230%0.335%0.353SS..  0146.8070.6175.6176.500108.1I3 V17 P19 L56 I61 K63M1-I3 HydrophobicContact CE-CG2 4.42Å; M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.9Å; M1-V17 WeakPolarHBondContact CG-O 3.41Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 WeakPolarHBondContact O-CG2 3.09Å; M1-V17 PolarHBondContact O-N 2.94Å; M1-V17 VanDerWaalsContact O-O 3.12Å; M1-P19 HydrophobicContact CE-CB 4.42Å; M1-P19 HydrophobicContact CE-CG 4.07Å; M1-P19 HydrophobicContact SD-CG 4.1Å; M1-L56 HydrophobicContact CE-CB 4.45Å; M1-L56 HydrophobicContact CE-CD1 4.12Å; M1-I61 WeakPolarHBondContact CE-O 3.3Å; M1-K63 HydrophobicContact CB-CB 4.42Å
2Q95Very high90.3Very high69 Ų6965.1 Ų65.132%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-89.8132.6-178.4-170.4165.184.800111F4 T14 L15 E16 E64Q2-F4 HydrophobicContact CG-CZ 4.46Å; Q2-T14 HydrophobicContact CG-CG2 3.43Å; Q2-T14 VanDerWaalsContact CG-CG2 3.43Å; Q2-L15 WeakPolarHBondContact CA-O 3.42Å; Q2-E16 WeakPolarHBondContact CB-OE1 3.27Å; Q2-E16 PolarHBondContact NE2-OE1 2.68Å; Q2-E64 PolarHBondContact O-N 3.12Å
3I96.7Very high90.4Very high0 Ų060.6 Ų60.60%033%0.332CS..EExtended strand (participates in β ladder)trans-126.4165.3169.166.2167.2000110.1M1 L15 V17 V26 L56 I61 L67M1-I3 HydrophobicContact CE-CG2 4.42Å; I3-L15 HydrophobicContact CG1-CB 4Å; I3-L15 PolarHBondContact N-O 2.78Å; I3-L15 PolarHBondContact O-N 3.35Å; I3-V17 HydrophobicContact CB-CG2 4.32Å; I3-V17 HydrophobicContact CD1-CG1 3.93Å; I3-V17 HydrophobicContact CD1-CG2 3.89Å; I3-V17 HydrophobicContact CG1-CG1 4.07Å; I3-V17 HydrophobicContact CG1-CG2 3.76Å; I3-V17 HydrophobicContact CG2-CG2 3.72Å; I3-V26 HydrophobicContact CD1-CG1 4.39Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; I3-I61 HydrophobicContact CG2-CG2 4.06Å; I3-L67 HydrophobicContact CD1-CD1 4.12Å; I3-L67 HydrophobicContact CD1-CD2 4.44Å
4F97Very high90.8Very high47 Ų4759.9 Ų59.921%0.20633%0.33CS..EExtended strand (participates in β ladder)trans-117.4143.7177.6-56.2-73.5000110.9Q2 T12 I13 T14 E64 S65 T66 L67Q2-F4 HydrophobicContact CG-CZ 4.46Å; F4-T12 HydrophobicContact CB-CG2 3.89Å; F4-T12 HydrophobicContact CD1-CG2 3.95Å; F4-T12 HydrophobicContact CG-CG2 4.25Å; F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.44Å; F4-T14 HydrophobicContact CD1-CG2 4.34Å; F4-T14 HydrophobicContact CE1-CG2 4.04Å; F4-E64 HydrophobicContact CE2-CB 4.07Å; F4-E64 HydrophobicContact CE2-CG 4.03Å; F4-S65 PolarHBondContact N-O 3.21Å; F4-T66 HydrophobicContact CB-CG2 4.39Å; F4-T66 CarbonylContact O-C 3.47Å; F4-T66 VanDerWaalsContact O-CA 3.29Å; F4-T66 WeakPolarHBondContact O-CA 3.36Å; F4-L67 PolarHBondContact O-N 3.04Å
5V96.3Very high91Very high0 Ų056.1 Ų56.10%031%0.309CS..EExtended strand (participates in β ladder)trans-122.5116.4173-176.80000108.2T12 I13 L15 I30 L43 L67 L69V5-T12 CarbonylContact O-C 3.58Å; V5-T12 WeakPolarHBondContact O-CA 3.5Å; V5-I13 HydrophobicContact CB-CB 4.25Å; V5-I13 HydrophobicContact CB-CD1 4.41Å; V5-I13 HydrophobicContact CG1-CD1 4.4Å; V5-I13 PolarHBondContact N-O 2.76Å; V5-I13 PolarHBondContact O-N 2.81Å; V5-L15 HydrophobicContact CG2-CD1 3.59Å; V5-L15 HydrophobicContact CG2-CG 4.33Å; V5-I30 HydrophobicContact CG1-CD1 4.17Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; V5-I30 HydrophobicContact CG2-CG1 4.48Å; V5-L43 HydrophobicContact CG1-CD2 4.16Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.27Å; V5-L67 HydrophobicContact CG2-CB 4.33Å; V5-L69 HydrophobicContact CG1-CB 3.58Å
6K93.8Very high91.3Very high89 Ų8959.2 Ų59.239%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-94.1127.7176.4-80.9-173.2178.8-1780111.1K11 T12 T66 L67 H68 L69K6-K11 WeakPolarHBondContact CA-O 3.49Å; K6-T12 HydrophobicContact CG-CG2 4.38Å; K6-T66 HydrophobicContact CB-CG2 4.19Å; K6-T66 HydrophobicContact CD-CG2 3.86Å; K6-T66 HydrophobicContact CG-CG2 3.76Å; K6-L67 PolarHBondContact N-O 2.99Å; K6-H68 CarbonylContact O-C 3.47Å; K6-H68 WeakPolarHBondContact O-CA 3.5Å; K6-L69 PolarHBondContact O-N 3.1Å
7T88.8Confident91.6Very high25 Ų2555.9 Ų55.915%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-79.7164.1170.970.40000110.5T9 G10 K11 I13T7-T9 PolarHBondContact O-N 3.14Å; T7-T9 PolarHBondContact OG1-N 3.32Å; T7-T9 PolarHBondContact OG1-OG1 3.26Å; T7-G10 PolarHBondContact O-N 2.78Å; T7-G10 PolarHBondContact OG1-N 3.09Å; T7-K11 HydrophobicContact CG2-CB 4.14Å; T7-K11 PolarHBondContact N-O 2.83Å; T7-K11 WeakPolarHBondContact OG1-CB 3.44Å; T7-K11 PolarHBondContact OG1-N 2.83Å; T7-K11 VanDerWaalsContact OG1-N 3.12Å; T7-K11 PolarHBondContact OG1-O 2.87Å; T7-I13 HydrophobicContact CG2-CD1 4Å
8L82.3Confident91.8Very high141 Ų14159.6 Ų59.674%0.73832%0.318SS*.THydrogen-bonded Turntrans-62.4-21.3171.4-69.5176.6000113.5G10 V70L8-G10 VanDerWaalsContact C-N 3.27Å; L8-V70 HydrophobicContact CD1-CG1 4.2Å; L8-V70 HydrophobicContact CD1-CG2 4.38Å; L8-V70 HydrophobicContact CD2-CG2 4.2Å; L8-V70 HydrophobicContact CG-CG2 4.34Å
9T78.7Confident91.9Very high126 Ų12659.9 Ų59.977%0.77332%0.323SS*.THydrogen-bonded Turntrans-81.3-6175580000112.9T7T7-T9 PolarHBondContact O-N 3.14Å; T7-T9 PolarHBondContact OG1-N 3.32Å; T7-T9 PolarHBondContact OG1-OG1 3.26Å
10G82.5Confident92.2Very high52 Ų5260.7 Ų60.754%0.53633%0.333SS..SBendtrans90.5-4-178.800000114.6T7 L8T7-G10 PolarHBondContact O-N 2.78Å; T7-G10 PolarHBondContact OG1-N 3.09Å; L8-G10 VanDerWaalsContact C-N 3.27Å
11K87.8Confident92.4Very high107 Ų10758.6 Ų58.647%0.46532%0.322SS..  trans-62.3137.1172.3-172.4-177.9177.3-169.90109.4K6 T7 E34K6-K11 WeakPolarHBondContact CA-O 3.49Å; T7-K11 HydrophobicContact CG2-CB 4.14Å; T7-K11 PolarHBondContact N-O 2.83Å; T7-K11 WeakPolarHBondContact OG1-CB 3.44Å; T7-K11 PolarHBondContact OG1-N 2.83Å; T7-K11 VanDerWaalsContact OG1-N 3.12Å; T7-K11 PolarHBondContact OG1-O 2.87Å; K11-E34 WeakPolarHBondContact CE-OE1 3.49Å; K11-E34 IonicContact NZ-OE1 3.27Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 2.93Å; K11-E34 PolarHBondContact NZ-OE2 3.06Å
12T91.5Very high92.6Very high64 Ų6457.3 Ų57.339%0.39332%0.318SS..EExtended strand (participates in β ladder)trans-111.9123.3176.9-57.20000109.5F4 V5 K6F4-T12 HydrophobicContact CB-CG2 3.89Å; F4-T12 HydrophobicContact CD1-CG2 3.95Å; F4-T12 HydrophobicContact CG-CG2 4.25Å; V5-T12 CarbonylContact O-C 3.58Å; V5-T12 WeakPolarHBondContact O-CA 3.5Å; K6-T12 HydrophobicContact CG-CG2 4.38Å
13I92Very high92.7Very high7 Ų754 Ų544%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-103.8128.5178.8-52.8151.8000107.7F4 V5 T7 L15 K33 E34F4-I13 CarbonylContact C-O 3.57Å; F4-I13 WeakPolarHBondContact CA-O 3.44Å; V5-I13 HydrophobicContact CB-CB 4.25Å; V5-I13 HydrophobicContact CB-CD1 4.41Å; V5-I13 HydrophobicContact CG1-CD1 4.4Å; V5-I13 PolarHBondContact N-O 2.76Å; V5-I13 PolarHBondContact O-N 2.81Å; T7-I13 HydrophobicContact CG2-CD1 4Å; I13-L15 HydrophobicContact CG2-CD2 4.04Å; I13-L15 HydrophobicContact CG2-CG 4.37Å; I13-K33 HydrophobicContact CG2-CB 4.45Å; I13-K33 HydrophobicContact CG2-CD 4.05Å; I13-E34 HydrophobicContact CD1-CG 3.55Å; I13-E34 HydrophobicContact CG1-CG 3.96Å; I13-E34 HydrophobicContact CG2-CG 4.42Å
14T95.4Very high92.6Very high50 Ų5059.6 Ų59.631%0.30733%0.328SS..EExtended strand (participates in β ladder)trans-96.1127.5178.2-54.30000109.8Q2 F4 K33Q2-T14 HydrophobicContact CG-CG2 3.43Å; Q2-T14 VanDerWaalsContact CG-CG2 3.43Å; F4-T14 HydrophobicContact CD1-CG2 4.34Å; F4-T14 HydrophobicContact CE1-CG2 4.04Å; T14-K33 WeakPolarHBondContact O-CE 3.4Å; T14-K33 PolarHBondContact O-NZ 2.81Å
15L94.9Very high92.5Very high3 Ų360.8 Ų60.82%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-123.8139.1179.9-59.7175.4000111.3Q2 I3 V5 I13 V17 V26 K29 I30 K33Q2-L15 WeakPolarHBondContact CA-O 3.42Å; I3-L15 HydrophobicContact CG1-CB 4Å; I3-L15 PolarHBondContact N-O 2.78Å; I3-L15 PolarHBondContact O-N 3.35Å; V5-L15 HydrophobicContact CG2-CD1 3.59Å; V5-L15 HydrophobicContact CG2-CG 4.33Å; I13-L15 HydrophobicContact CG2-CD2 4.04Å; I13-L15 HydrophobicContact CG2-CG 4.37Å; L15-V17 HydrophobicContact CB-CG1 4.04Å; L15-V26 HydrophobicContact CD1-CG1 4Å; L15-K29 HydrophobicContact CD2-CB 4.23Å; L15-I30 HydrophobicContact CD1-CD1 4.17Å; L15-I30 HydrophobicContact CD1-CG1 3.58Å; L15-K33 HydrophobicContact CD2-CD 3.82Å; L15-K33 HydrophobicContact CD2-CG 4.36Å
16E95.9Very high92.4Very high106 Ų10660.8 Ų60.850%0.49534%0.337SS..EExtended strand (participates in β ladder)trans-94.1118.7166.7-67.6-56.3144.700109.4Q2 K29Q2-E16 WeakPolarHBondContact CB-OE1 3.27Å; Q2-E16 PolarHBondContact NE2-OE1 2.68Å; E16-K29 PolarHBondContact O-NZ 2.67Å
17V95.6Very high92.4Very high3 Ų356.7 Ų56.72%0.01832%0.319CS..  trans-135.2155.9-172.4-61.60000111.4M1 I3 L15 D21 V26 K29 L56M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.9Å; M1-V17 WeakPolarHBondContact CG-O 3.41Å; M1-V17 PolarHBondContact N-O 3.44Å; M1-V17 WeakPolarHBondContact O-CG2 3.09Å; M1-V17 PolarHBondContact O-N 2.94Å; M1-V17 VanDerWaalsContact O-O 3.12Å; I3-V17 HydrophobicContact CB-CG2 4.32Å; I3-V17 HydrophobicContact CD1-CG1 3.93Å; I3-V17 HydrophobicContact CD1-CG2 3.89Å; I3-V17 HydrophobicContact CG1-CG1 4.07Å; I3-V17 HydrophobicContact CG1-CG2 3.76Å; I3-V17 HydrophobicContact CG2-CG2 3.72Å; L15-V17 HydrophobicContact CB-CG1 4.04Å; V17-D21 VanDerWaalsContact CA-OD2 3.29Å; V17-D21 WeakPolarHBondContact CA-OD2 3.39Å; V17-V26 HydrophobicContact CG1-CG2 4.25Å; V17-K29 HydrophobicContact CG1-CD 3.96Å; V17-L56 HydrophobicContact CB-CD1 3.56Å; V17-L56 HydrophobicContact CG1-CD1 4.16Å; V17-L56 HydrophobicContact CG2-CD1 3.38Å
18E95.7Very high92.6Very high122 Ų12257.2 Ų57.257%0.5733%0.326SS*.  trans-100.1147169.1-63-170.5168.300110.2S20 D21E18-S20 PolarHBondContact O-N 2.73Å; E18-S20 VanDerWaalsContact O-N 3.07Å; E18-D21 PolarHBondContact N-OD2 3Å; E18-D21 VanDerWaalsContact O-CB 3.26Å; E18-D21 WeakPolarHBondContact O-CB 3.5Å; E18-D21 PolarHBondContact O-N 2.86Å
19P94.2Very high93.2Very high66 Ų6653.8 Ų53.843%0.42931%0.305SS..THydrogen-bonded Turntrans-55.3-26.5175.8-26.234.9000114.1M1 S57M1-P19 HydrophobicContact CE-CB 4.42Å; M1-P19 HydrophobicContact CE-CG 4.07Å; M1-P19 HydrophobicContact SD-CG 4.1Å; P19-S57 WeakPolarHBondContact O-CB 3.28Å; P19-S57 PolarHBondContact O-N 3.47Å; P19-S57 PolarHBondContact O-OG 3.2Å
20S96.5Very high93.8Very high75 Ų7547.8 Ų47.852%0.52427%0.268SS..THydrogen-bonded Turntrans-79.7-10.1174.841.90000114.6E18 T22 T55E18-S20 PolarHBondContact O-N 2.73Å; E18-S20 VanDerWaalsContact O-N 3.07Å; S20-T22 PolarHBondContact O-N 2.87Å; S20-T55 WeakPolarHBondContact O-CG2 3.44Å
21D97Very high94.1Very high18 Ų1847.3 Ų47.310%0.09625%0.252CS..  trans-60.8131.3176.6-80.1-28.3000109.9V17 E18 N25 V26 K29 T55 L56V17-D21 VanDerWaalsContact CA-OD2 3.29Å; V17-D21 WeakPolarHBondContact CA-OD2 3.39Å; E18-D21 PolarHBondContact N-OD2 3Å; E18-D21 VanDerWaalsContact O-CB 3.26Å; E18-D21 WeakPolarHBondContact O-CB 3.5Å; E18-D21 PolarHBondContact O-N 2.86Å; D21-N25 HydrophobicContact CB-CB 4.15Å; D21-N25 PolarHBondContact OD1-ND2 3.22Å; D21-V26 HydrophobicContact CB-CG2 4.37Å; D21-K29 WeakPolarHBondContact OD2-CE 3.5Å; D21-K29 IonicContact OD2-NZ 2.94Å; D21-T55 CarbonylContact O-C 3.44Å; D21-T55 VanDerWaalsContact O-CA 3.22Å; D21-T55 WeakPolarHBondContact O-CA 3.34Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.42Å
22T97.1Very high93.9Very high34 Ų3448.6 Ų48.621%0.20926%0.264CS..BIsolated β-bridgetrans-69.8159.3169.861.20000110.4S20 E24 N25 V26 R54S20-T22 PolarHBondContact O-N 2.87Å; T22-E24 PolarHBondContact O-N 2.88Å; T22-N25 WeakPolarHBondContact O-CB 3.07Å; T22-N25 PolarHBondContact O-N 3.33Å; T22-N25 VanDerWaalsContact O-N 3.07Å; T22-N25 PolarHBondContact OG1-N 2.66Å; T22-N25 VanDerWaalsContact OG1-N 3.13Å; T22-N25 PolarHBondContact OG1-OD1 2.73Å; T22-N25 VanDerWaalsContact OG1-OD1 3.12Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.88Å; T22-R54 CarbonylContact C-O 3.54Å; T22-R54 VanDerWaalsContact CA-O 3.23Å; T22-R54 WeakPolarHBondContact CA-O 3.3Å
23I96.6Very high93.7Very high0 Ų051.4 Ų51.40%027%0.271CS..Hα-helixtrans-61.5-32.6173.3-62-56000110.9V26 K27 L43 L50 E51 D52 R54 L56 Y59I23-V26 PolarHBondContact O-N 3.4Å; I23-K27 HydrophobicContact CG2-CD 4.49Å; I23-K27 VanDerWaalsContact O-CG 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.44Å; I23-K27 PolarHBondContact O-N 2.74Å; I23-L43 HydrophobicContact CG2-CD1 4.19Å; I23-L50 HydrophobicContact CB-CB 4.48Å; I23-L50 HydrophobicContact CD1-CB 3.82Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.3Å; I23-L50 HydrophobicContact CG1-CB 3.79Å; I23-L50 HydrophobicContact CG2-CB 3.89Å; I23-E51 WeakPolarHBondContact CB-O 3.41Å; I23-E51 VanDerWaalsContact CG1-O 3.27Å; I23-E51 WeakPolarHBondContact CG1-O 3.48Å; I23-D52 PolarHBondContact N-O 3.05Å; I23-R54 WeakPolarHBondContact CG1-O 3.32Å; I23-R54 PolarHBondContact N-O 3.25Å; I23-L56 HydrophobicContact CD1-CD2 3.96Å; I23-Y59 HydrophobicContact CD1-CD2 4.16Å; I23-Y59 HydrophobicContact CD1-CE2 4.21Å; I23-Y59 HydrophobicContact CG1-CD2 4.35Å; I23-Y59 HydrophobicContact CG1-CE2 3.92Å
24E94.2Very high93.5Very high116 Ų11653.9 Ų53.954%0.54228%0.282SS..Hα-helixtrans-58.1-47.3169.6-170.5173-161.800112.3T22 V26 K27 A28 D52T22-E24 PolarHBondContact O-N 2.88Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.86Å; E24-K27 WeakPolarHBondContact O-CB 3.22Å; E24-K27 PolarHBondContact O-N 2.87Å; E24-K27 VanDerWaalsContact O-N 3.12Å; E24-A28 PolarHBondContact O-N 3.3Å; E24-D52 HydrophobicContact CB-CB 4.25Å; E24-D52 PolarHBondContact N-O 3.32Å; E24-D52 VanDerWaalsContact N-O 3.14Å
25N94.8Very high92.9Very high72 Ų7254.2 Ų54.239%0.38530%0.295SS..Hα-helixtrans-60.4-40.2175.5-66.6-3.3000111.8D21 T22 K27 A28 K29D21-N25 HydrophobicContact CB-CB 4.15Å; D21-N25 PolarHBondContact OD1-ND2 3.22Å; T22-N25 WeakPolarHBondContact O-CB 3.07Å; T22-N25 PolarHBondContact O-N 3.33Å; T22-N25 VanDerWaalsContact O-N 3.07Å; T22-N25 PolarHBondContact OG1-N 2.66Å; T22-N25 VanDerWaalsContact OG1-N 3.13Å; T22-N25 PolarHBondContact OG1-OD1 2.73Å; T22-N25 VanDerWaalsContact OG1-OD1 3.12Å; N25-K27 VanDerWaalsContact C-N 3.32Å; N25-K27 PolarHBondContact O-N 2.89Å; N25-A28 PolarHBondContact O-N 3.3Å; N25-K29 WeakPolarHBondContact O-CG 3.29Å; N25-K29 PolarHBondContact O-N 3.37Å
26V95.5Very high92.3Very high0 Ų055.4 Ų55.40%030%0.302CS..Hα-helixtrans-64.1-40.4177178.30000110.7I3 L15 V17 D21 T22 I23 E24 K29 I30 L43 L56I3-V26 HydrophobicContact CD1-CG1 4.39Å; L15-V26 HydrophobicContact CD1-CG1 4Å; V17-V26 HydrophobicContact CG1-CG2 4.25Å; D21-V26 HydrophobicContact CB-CG2 4.37Å; T22-V26 WeakPolarHBondContact O-CG2 3.46Å; T22-V26 PolarHBondContact O-N 2.88Å; I23-V26 PolarHBondContact O-N 3.4Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.86Å; V26-K29 PolarHBondContact O-N 2.92Å; V26-I30 HydrophobicContact CG1-CD1 4.21Å; V26-I30 WeakPolarHBondContact O-CG1 3.35Å; V26-I30 PolarHBondContact O-N 2.89Å; V26-L43 HydrophobicContact CB-CD1 4.32Å; V26-L43 HydrophobicContact CG1-CD1 3.8Å; V26-L56 HydrophobicContact CG2-CD1 3.92Å; V26-L56 HydrophobicContact CG2-CD2 3.91Å; V26-L56 HydrophobicContact CG2-CG 3.96Å
27K94.3Very high91.6Very high4 Ų450.9 Ų50.92%0.01728%0.281CS..Hα-helixtrans-64.7-41.9175.4-72.5171.3162.3-162.80112.3I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52I23-K27 HydrophobicContact CG2-CD 4.49Å; I23-K27 VanDerWaalsContact O-CG 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.44Å; I23-K27 PolarHBondContact O-N 2.74Å; E24-K27 WeakPolarHBondContact O-CB 3.22Å; E24-K27 PolarHBondContact O-N 2.87Å; E24-K27 VanDerWaalsContact O-N 3.12Å; N25-K27 VanDerWaalsContact C-N 3.32Å; N25-K27 PolarHBondContact O-N 2.89Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.74Å; K27-I30 WeakPolarHBondContact O-CB 3.1Å; K27-I30 PolarHBondContact O-N 3.28Å; K27-I30 VanDerWaalsContact O-N 3.11Å; K27-Q31 PolarHBondContact O-N 3.25Å; K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CB-CG 4.21Å; K27-P38 HydrophobicContact CD-CB 4.21Å; K27-P38 WeakPolarHBondContact CD-O 3.41Å; K27-P38 WeakPolarHBondContact CE-O 3.44Å; K27-P38 PolarHBondContact NZ-O 2.85Å; K27-Q41 VanDerWaalsContact CA-OE1 3.25Å; K27-Q41 HydrophobicContact CD-CB 4.37Å; K27-Q41 WeakPolarHBondContact CE-O 3.46Å; K27-Q41 HydrophobicContact CG-CB 4.06Å; K27-Q41 PolarHBondContact NZ-O 3.19Å; K27-Q41 VanDerWaalsContact NZ-O 3.09Å; K27-Q41 PolarHBondContact O-NE2 3.38Å; K27-Q41 PolarHBondContact O-OE1 2.66Å; K27-L43 HydrophobicContact CG-CD1 3.88Å; K27-L43 HydrophobicContact CG-CG 4.36Å; K27-D52 WeakPolarHBondContact CD-OD1 3.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.26Å; K27-D52 IonicContact NZ-OD1 2.68Å; K27-D52 PolarHBondContact NZ-OD1 3.42Å; K27-D52 IonicContact NZ-OD2 3.22Å; K27-D52 PolarHBondContact NZ-OD2 3.45Å
28A91.3Very high91.2Very high36 Ų3651.7 Ų51.730%0.29829%0.286SS..Hα-helixtrans-58.8-45.217300000111E24 N25 I30 Q31 D32E24-A28 PolarHBondContact O-N 3.3Å; N25-A28 PolarHBondContact O-N 3.3Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 2.91Å; A28-Q31 WeakPolarHBondContact O-CA 3.28Å; A28-Q31 VanDerWaalsContact O-CB 3.29Å; A28-Q31 WeakPolarHBondContact O-CB 3.43Å; A28-Q31 PolarHBondContact O-N 2.85Å; A28-D32 VanDerWaalsContact O-CG 3.25Å; A28-D32 PolarHBondContact O-N 2.83Å
29K94.9Very high90.5Very high68 Ų6848.2 Ų48.230%0.29627%0.272SS..Hα-helixtrans-61.1-31.7174.7-69.3168.4-176.2-89.60113.5L15 E16 V17 D21 N25 V26 K27 K33L15-K29 HydrophobicContact CD2-CB 4.23Å; E16-K29 PolarHBondContact O-NZ 2.67Å; V17-K29 HydrophobicContact CG1-CD 3.96Å; D21-K29 WeakPolarHBondContact OD2-CE 3.5Å; D21-K29 IonicContact OD2-NZ 2.94Å; N25-K29 WeakPolarHBondContact O-CG 3.29Å; N25-K29 PolarHBondContact O-N 3.37Å; V26-K29 PolarHBondContact O-N 2.92Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.74Å; K29-K33 PolarHBondContact O-N 3.44Å
30I92.6Very high90Very high0 Ų046.8 Ų46.80%026%0.26CS..Hα-helixtrans-72.9-40.4173.5-67.4163.3000110.5V5 L15 V26 K27 A28 D32 K33 E34 Q41 L43 L69V5-I30 HydrophobicContact CG1-CD1 4.17Å; V5-I30 HydrophobicContact CG2-CD1 4.11Å; V5-I30 HydrophobicContact CG2-CG1 4.48Å; L15-I30 HydrophobicContact CD1-CD1 4.17Å; L15-I30 HydrophobicContact CD1-CG1 3.58Å; V26-I30 HydrophobicContact CG1-CD1 4.21Å; V26-I30 WeakPolarHBondContact O-CG1 3.35Å; V26-I30 PolarHBondContact O-N 2.89Å; K27-I30 WeakPolarHBondContact O-CB 3.1Å; K27-I30 PolarHBondContact O-N 3.28Å; K27-I30 VanDerWaalsContact O-N 3.11Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 2.91Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.33Å; I30-K33 PolarHBondContact O-N 3.2Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 HydrophobicContact CG2-CG 4.46Å; I30-E34 WeakPolarHBondContact O-CB 3.41Å; I30-E34 PolarHBondContact O-N 2.99Å; I30-Q41 VanDerWaalsContact CB-OE1 3.28Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.25Å; I30-Q41 HydrophobicContact CG2-CG 4.49Å; I30-L43 HydrophobicContact CD1-CD1 3.93Å; I30-L43 HydrophobicContact CD1-CD2 3.63Å; I30-L43 HydrophobicContact CD1-CG 4.33Å; I30-L69 HydrophobicContact CG2-CD2 4.08Å
31Q89.1Confident89.7Confident43 Ų4343.2 Ų43.220%0.20124%0.235CC..Hα-helixtrans-58.9-46.1174.4-177.6-176.714.900110.7K27 A28 K33 E34 G35 I36 P38K27-Q31 PolarHBondContact O-N 3.25Å; A28-Q31 WeakPolarHBondContact O-CA 3.28Å; A28-Q31 VanDerWaalsContact O-CB 3.29Å; A28-Q31 WeakPolarHBondContact O-CB 3.43Å; A28-Q31 PolarHBondContact O-N 2.85Å; Q31-K33 PolarHBondContact O-N 2.82Å; Q31-E34 PolarHBondContact O-N 2.86Å; Q31-G35 WeakPolarHBondContact O-CA 3.3Å; Q31-G35 PolarHBondContact O-N 3.36Å; Q31-I36 VanDerWaalsContact CA-O 3.31Å; Q31-I36 WeakPolarHBondContact CA-O 3.48Å; Q31-I36 VanDerWaalsContact CB-O 3.23Å; Q31-I36 WeakPolarHBondContact CB-O 3.34Å; Q31-P38 HydrophobicContact CB-CG 4.5Å; Q31-P38 VanDerWaalsContact CD-CD 3.47Å
32D82.6Confident89.4Confident133 Ų13347.2 Ų47.271%0.71125%0.248SC*.Hα-helixtrans-60.5-31178.3-63.5-24.1000112.5A28 I30A28-D32 VanDerWaalsContact O-CG 3.25Å; A28-D32 PolarHBondContact O-N 2.83Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.33Å
33K87.7Confident89.3Confident123 Ų12345.6 Ų45.654%0.53524%0.238SC..Hα-helixtrans-91-34.7-179.2-75.2-153.1176.9-1620114.9I13 T14 L15 K29 I30 Q31I13-K33 HydrophobicContact CG2-CB 4.45Å; I13-K33 HydrophobicContact CG2-CD 4.05Å; T14-K33 WeakPolarHBondContact O-CE 3.4Å; T14-K33 PolarHBondContact O-NZ 2.81Å; L15-K33 HydrophobicContact CD2-CD 3.82Å; L15-K33 HydrophobicContact CD2-CG 4.36Å; K29-K33 PolarHBondContact O-N 3.44Å; I30-K33 PolarHBondContact O-N 3.2Å; Q31-K33 PolarHBondContact O-N 2.82Å
34E87.3Confident89.3Confident60 Ų6047.4 Ų47.428%0.2825%0.248SC..Hα-helixtrans-122.5-4.1-167.9-60.8-72.4135.900112.8K11 I13 I30 Q31 I36K11-E34 WeakPolarHBondContact CE-OE1 3.49Å; K11-E34 IonicContact NZ-OE1 3.27Å; K11-E34 PolarHBondContact NZ-OE1 2.94Å; K11-E34 IonicContact NZ-OE2 2.93Å; K11-E34 PolarHBondContact NZ-OE2 3.06Å; I13-E34 HydrophobicContact CD1-CG 3.55Å; I13-E34 HydrophobicContact CG1-CG 3.96Å; I13-E34 HydrophobicContact CG2-CG 4.42Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 HydrophobicContact CG2-CG 4.46Å; I30-E34 WeakPolarHBondContact O-CB 3.41Å; I30-E34 PolarHBondContact O-N 2.99Å; Q31-E34 PolarHBondContact O-N 2.86Å; E34-I36 HydrophobicContact CB-CD1 3.89Å; E34-I36 HydrophobicContact CB-CG1 3.89Å; E34-I36 PolarHBondContact O-N 3.15Å
35G82.4Confident89.4Confident56 Ų5643.9 Ų43.958%0.57723%0.231SC*.  trans70.88.9-178.600000114.6Q31 P37Q31-G35 WeakPolarHBondContact O-CA 3.3Å; Q31-G35 PolarHBondContact O-N 3.36Å; G35-P37 WeakPolarHBondContact O-CD 3.49Å
36I83.1Confident89.3Confident29 Ų2944.7 Ų44.715%0.14925%0.247CC..  trans-87.5119.8-174.1-53.9176.2000109.5Q31 E34 Q40 Q41 L69 L71Q31-I36 VanDerWaalsContact CA-O 3.31Å; Q31-I36 WeakPolarHBondContact CA-O 3.48Å; Q31-I36 VanDerWaalsContact CB-O 3.23Å; Q31-I36 WeakPolarHBondContact CB-O 3.34Å; E34-I36 HydrophobicContact CB-CD1 3.89Å; E34-I36 HydrophobicContact CB-CG1 3.89Å; E34-I36 PolarHBondContact O-N 3.15Å; I36-Q40 HydrophobicContact CG2-CB 4.4Å; I36-Q41 HydrophobicContact CB-CG 4.3Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.07Å; I36-L69 HydrophobicContact CD1-CD2 4.02Å; I36-L71 HydrophobicContact CD1-CD2 3.98Å; I36-L71 HydrophobicContact CG2-CD2 3.53Å
37P81.8Confident89Confident10 Ų1048.4 Ų48.47%0.06529%0.285CS..  trans-61138.5179.8-27.537.7000114.1G35 D39 Q40 Q41G35-P37 WeakPolarHBondContact O-CD 3.49Å; P37-D39 WeakPolarHBondContact CB-OD1 3.2Å; P37-D39 PolarHBondContact O-N 3.43Å; P37-D39 VanDerWaalsContact O-N 3.16Å; P37-Q40 HydrophobicContact CB-CG 4.33Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 2.95Å; P37-Q41 WeakPolarHBondContact O-CG 3.38Å; P37-Q41 PolarHBondContact O-N 2.96Å
38P86.8Confident88.9Confident20 Ų2055.2 Ų55.213%0.1332%0.315CS..THydrogen-bonded Turntrans-51.1-33.6179.9-33.235.6000116.4K27 Q31 Q40 Q41 E94K27-P38 HydrophobicContact CB-CB 3.8Å; K27-P38 HydrophobicContact CB-CG 4.21Å; K27-P38 HydrophobicContact CD-CB 4.21Å; K27-P38 WeakPolarHBondContact CD-O 3.41Å; K27-P38 WeakPolarHBondContact CE-O 3.44Å; K27-P38 PolarHBondContact NZ-O 2.85Å; Q31-P38 HydrophobicContact CB-CG 4.5Å; Q31-P38 VanDerWaalsContact CD-CD 3.47Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; P38-Q41 PolarHBondContact O-N 3.37Å; P38-E94 WeakPolarHBondContact CD-OE1 3.49Å
39D80.9Confident89Confident50 Ų5057 Ų5727%0.26732%0.317SS..THydrogen-bonded Turntrans-72-28.2179.172.3-35.6000113P37 R72 G76P37-D39 WeakPolarHBondContact CB-OD1 3.2Å; P37-D39 PolarHBondContact O-N 3.43Å; P37-D39 VanDerWaalsContact O-N 3.16Å; D39-R72 WeakPolarHBondContact O-CD 3.4Å; D39-R72 PolarHBondContact O-NH1 2.99Å; D39-G76 WeakPolarHBondContact OD2-CA 3.04Å
40Q83.9Confident89Confident36 Ų3653.9 Ų53.917%0.16830%0.304CS..THydrogen-bonded Turntrans-80.2-20.3171.9-62.5-172.62.600112.5I36 P37 P38 L71 R72 E92I36-Q40 HydrophobicContact CG2-CB 4.4Å; P37-Q40 HydrophobicContact CB-CG 4.33Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 2.95Å; P38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-L71 WeakPolarHBondContact O-CA 3.44Å; Q40-R72 PolarHBondContact O-N 2.95Å; Q40-E92 PolarHBondContact NE2-OE2 3.38Å
41Q90Very high89.1Confident0 Ų058.9 Ų58.90%033%0.327CS..EExtended strand (participates in β ladder)trans-80.6125.2-179.3-63.8179.24100112K27 I30 I36 P37 P38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.25Å; K27-Q41 HydrophobicContact CD-CB 4.37Å; K27-Q41 WeakPolarHBondContact CE-O 3.46Å; K27-Q41 HydrophobicContact CG-CB 4.06Å; K27-Q41 PolarHBondContact NZ-O 3.19Å; K27-Q41 VanDerWaalsContact NZ-O 3.09Å; K27-Q41 PolarHBondContact O-NE2 3.38Å; K27-Q41 PolarHBondContact O-OE1 2.66Å; I30-Q41 VanDerWaalsContact CB-OE1 3.28Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.25Å; I30-Q41 HydrophobicContact CG2-CG 4.49Å; I36-Q41 HydrophobicContact CB-CG 4.3Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.07Å; P37-Q41 WeakPolarHBondContact O-CG 3.38Å; P37-Q41 PolarHBondContact O-N 2.96Å; P38-Q41 PolarHBondContact O-N 3.37Å; Q41-L69 HydrophobicContact CB-CD1 3.72Å; Q41-L69 HydrophobicContact CG-CD1 3.87Å
42R91.4Very high89.2Confident101 Ų10160.1 Ų60.138%0.38134%0.335SS..EExtended strand (participates in β ladder)trans-115.2104.1167.2-169.4-174.7-169.9-169.61.9109.2I44 Q49 V70 R72R42-I44 HydrophobicContact CG-CG1 4.47Å; R42-Q49 HydrophobicContact CG-CG 3.94Å; R42-Q49 VanDerWaalsContact NE-CD 3.32Å; R42-V70 WeakPolarHBondContact CA-O 3.26Å; R42-V70 HydrophobicContact CB-CB 4.24Å; R42-V70 WeakPolarHBondContact CB-O 3.15Å; R42-V70 PolarHBondContact N-O 3.16Å; R42-V70 PolarHBondContact O-N 3.25Å; R42-R72 HydrophobicContact CB-CG 4.37Å
43L94.8Very high89.7Confident1 Ų157.1 Ų57.11%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-86134.4175.9-62179.8000110.6V5 I23 V26 K27 I30 Q49 L50 L67 H68 L69V5-L43 HydrophobicContact CG1-CD2 4.16Å; I23-L43 HydrophobicContact CG2-CD1 4.19Å; V26-L43 HydrophobicContact CB-CD1 4.32Å; V26-L43 HydrophobicContact CG1-CD1 3.8Å; K27-L43 HydrophobicContact CG-CD1 3.88Å; K27-L43 HydrophobicContact CG-CG 4.36Å; I30-L43 HydrophobicContact CD1-CD1 3.93Å; I30-L43 HydrophobicContact CD1-CD2 3.63Å; I30-L43 HydrophobicContact CD1-CG 4.33Å; L43-Q49 WeakPolarHBondContact O-CA 3.35Å; L43-L50 HydrophobicContact CB-CB 4.4Å; L43-L50 HydrophobicContact CB-CD1 4.02Å; L43-L50 HydrophobicContact CB-CG 4.37Å; L43-L50 PolarHBondContact O-N 2.73Å; L43-L67 HydrophobicContact CB-CD2 4.46Å; L43-L67 HydrophobicContact CD1-CD2 4.26Å; L43-H68 CarbonylContact C-O 3.55Å; L43-H68 WeakPolarHBondContact CA-O 3.23Å; L43-L69 HydrophobicContact CD2-CB 4.13Å; L43-L69 HydrophobicContact CD2-CD1 3.83Å
44I96.1Very high90.1Very high38 Ų3856.6 Ų56.620%0.19533%0.33CS..EExtended strand (participates in β ladder)trans-129130-178.2-56.6173.1000108.5R42 K48 H68 V70R42-I44 HydrophobicContact CG-CG1 4.47Å; I44-K48 CarbonylContact C-O 3.54Å; I44-K48 VanDerWaalsContact CA-O 3.26Å; I44-K48 WeakPolarHBondContact CA-O 3.42Å; I44-K48 WeakPolarHBondContact CG2-O 3.37Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 3.43Å; I44-H68 PolarHBondContact O-N 3.2Å; I44-V70 HydrophobicContact CD1-CB 4.39Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å
45F96.4Very high90.5Very high42 Ų4255 Ų5518%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-135.4136.9173-178.3-108.9000109.9G47 K48 L50 I61 T66 L67F45-G47 PolarHBondContact O-N 2.79Å; F45-G47 VanDerWaalsContact O-N 3.12Å; F45-K48 PolarHBondContact N-O 3.15Å; F45-K48 PolarHBondContact O-N 3.19Å; F45-L50 HydrophobicContact CB-CD1 4.02Å; F45-L50 HydrophobicContact CB-CD2 3.85Å; F45-L50 HydrophobicContact CB-CG 4.31Å; F45-I61 HydrophobicContact CB-CD1 4.34Å; F45-I61 HydrophobicContact CD1-CD1 4.17Å; F45-I61 HydrophobicContact CD1-CG1 3.6Å; F45-I61 HydrophobicContact CD2-CG1 4.35Å; F45-I61 HydrophobicContact CE1-CG1 3.7Å; F45-I61 HydrophobicContact CE2-CG1 4.44Å; F45-I61 HydrophobicContact CG-CD1 4.2Å; F45-I61 HydrophobicContact CG-CG1 3.94Å; F45-I61 HydrophobicContact CZ-CG1 4.13Å; F45-T66 WeakPolarHBondContact CD2-O 3.25Å; F45-L67 HydrophobicContact CB-CG 4.31Å; F45-L67 HydrophobicContact CD2-CD1 4.17Å; F45-L67 HydrophobicContact CD2-CG 4.44Å
46A91.5Very high91.2Very high89 Ų8952.4 Ų52.474%0.73630%0.297SS*.THydrogen-bonded Turntrans4840-177.300000113.9K48A46-K48 PolarHBondContact O-N 2.93Å
47G89.8Confident91.8Very high77 Ų7753.7 Ų53.779%0.79431%0.309SS*.THydrogen-bonded Turntrans75.1-0.1-17900000115.5F45F45-G47 PolarHBondContact O-N 2.79Å; F45-G47 VanDerWaalsContact O-N 3.12Å
48K92.4Very high92.5Very high147 Ų14757.7 Ų57.764%0.63933%0.33SS*.EExtended strand (participates in β ladder)trans-105.4136.6177.7-65.6-176.2-179.7179.40111I44 F45 A46I44-K48 CarbonylContact C-O 3.54Å; I44-K48 VanDerWaalsContact CA-O 3.26Å; I44-K48 WeakPolarHBondContact CA-O 3.42Å; I44-K48 WeakPolarHBondContact CG2-O 3.37Å; F45-K48 PolarHBondContact N-O 3.15Å; F45-K48 PolarHBondContact O-N 3.19Å; A46-K48 PolarHBondContact O-N 2.93Å
49Q92.9Very high92.9Very high74 Ų7458.5 Ų58.535%0.34633%0.331SS..EExtended strand (participates in β ladder)trans-69.7136.7167.3177.5-177.7-23.900109.2R42 L43R42-Q49 HydrophobicContact CG-CG 3.94Å; R42-Q49 VanDerWaalsContact NE-CD 3.32Å; L43-Q49 WeakPolarHBondContact O-CA 3.35Å
50L95.2Very high93.6Very high3 Ų362.1 Ų62.12%0.01635%0.35CS..PPolyproline II helixtrans-88.5138.2178.5-46.5179.7000110.4I23 L43 F45 Y59 I61 L67I23-L50 HydrophobicContact CB-CB 4.48Å; I23-L50 HydrophobicContact CD1-CB 3.82Å; I23-L50 HydrophobicContact CD1-CD1 3.65Å; I23-L50 HydrophobicContact CD1-CG 4.3Å; I23-L50 HydrophobicContact CG1-CB 3.79Å; I23-L50 HydrophobicContact CG2-CB 3.89Å; L43-L50 HydrophobicContact CB-CB 4.4Å; L43-L50 HydrophobicContact CB-CD1 4.02Å; L43-L50 HydrophobicContact CB-CG 4.37Å; L43-L50 PolarHBondContact O-N 2.73Å; F45-L50 HydrophobicContact CB-CD1 4.02Å; F45-L50 HydrophobicContact CB-CD2 3.85Å; F45-L50 HydrophobicContact CB-CG 4.31Å; L50-Y59 HydrophobicContact CB-CE2 4.03Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CD2 3.82Å; L50-Y59 HydrophobicContact CD2-CE1 3.72Å; L50-Y59 HydrophobicContact CD2-CE2 3.9Å; L50-Y59 HydrophobicContact CD2-CG 3.67Å; L50-Y59 HydrophobicContact CG-CE2 4.5Å; L50-I61 HydrophobicContact CD1-CD1 3.89Å; L50-L67 HydrophobicContact CD1-CD2 3.65Å; L50-L67 HydrophobicContact CD1-CG 4.17Å
51E94.4Very high94.1Very high104 Ų10460.7 Ų60.749%0.48634%0.343SS..PPolyproline II helixtrans-94.2134.9179.5-64.5171.5-179.800110.7I23 G53 R54 Y59I23-E51 WeakPolarHBondContact CB-O 3.41Å; I23-E51 VanDerWaalsContact CG1-O 3.27Å; I23-E51 WeakPolarHBondContact CG1-O 3.48Å; E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.39Å; E51-R54 HydrophobicContact CB-CG 4.33Å; E51-R54 PolarHBondContact O-N 2.99Å; E51-R54 VanDerWaalsContact O-N 3.12Å; E51-R54 IonicContact OE1-NH2 3.44Å; E51-R54 IonicContact OE2-CZ 2.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.27Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.33Å; E51-R54 IonicContact OE2-NH2 3.2Å; E51-R54 PolarHBondContact OE2-NH2 3.17Å; E51-Y59 WeakPolarHBondContact CB-OH 3.45Å; E51-Y59 PolarHBondContact N-OH 2.88Å
52D91.8Very high94.2Very high69 Ų6967.1 Ų67.137%0.36937%0.374SS..THydrogen-bonded Turntrans-56.1-41.3-170.4-66.1-17.3000113.5I23 E24 K27 R54I23-D52 PolarHBondContact N-O 3.05Å; E24-D52 HydrophobicContact CB-CB 4.25Å; E24-D52 PolarHBondContact N-O 3.32Å; E24-D52 VanDerWaalsContact N-O 3.14Å; K27-D52 WeakPolarHBondContact CD-OD1 3.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.26Å; K27-D52 IonicContact NZ-OD1 2.68Å; K27-D52 PolarHBondContact NZ-OD1 3.42Å; K27-D52 IonicContact NZ-OD2 3.22Å; K27-D52 PolarHBondContact NZ-OD2 3.45Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.88Å
53G93.2Very high94.4Very high70 Ų7068.7 Ų68.772%0.72238%0.383SS*.THydrogen-bonded Turntrans-79.9-0.7-177.800000116.2E51E51-G53 VanDerWaalsContact C-N 3.32Å; E51-G53 PolarHBondContact O-N 3.39Å
54R95.9Very high94.4Very high112 Ų11274.3 Ų74.342%0.42341%0.409SS..SBendtrans-96.5155.5175.7-64.8-158.5-156.4-165.2-0.5111.1T22 I23 E51 D52 D58 Y59T22-R54 CarbonylContact C-O 3.54Å; T22-R54 VanDerWaalsContact CA-O 3.23Å; T22-R54 WeakPolarHBondContact CA-O 3.3Å; I23-R54 WeakPolarHBondContact CG1-O 3.32Å; I23-R54 PolarHBondContact N-O 3.25Å; E51-R54 HydrophobicContact CB-CG 4.33Å; E51-R54 PolarHBondContact O-N 2.99Å; E51-R54 VanDerWaalsContact O-N 3.12Å; E51-R54 IonicContact OE1-NH2 3.44Å; E51-R54 IonicContact OE2-CZ 2.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.27Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.33Å; E51-R54 IonicContact OE2-NH2 3.2Å; E51-R54 PolarHBondContact OE2-NH2 3.17Å; D52-R54 VanDerWaalsContact C-N 3.32Å; D52-R54 PolarHBondContact O-N 2.88Å; R54-D58 HydrophobicContact CB-CB 4.24Å; R54-Y59 HydrophobicContact CB-CD2 4.41Å; R54-Y59 HydrophobicContact CB-CE2 3.58Å; R54-Y59 WeakPolarHBondContact CD-OH 3.21Å; R54-Y59 HydrophobicContact CG-CE2 4.37Å
55T96.5Very high94.4Very high28 Ų2873.4 Ų73.417%0.17241%0.407CS..BIsolated β-bridgetrans-86.7163.5177.168.60000112.2S20 D21 S57 D58 Y59S20-T55 WeakPolarHBondContact O-CG2 3.44Å; D21-T55 CarbonylContact O-C 3.44Å; D21-T55 VanDerWaalsContact O-CA 3.22Å; D21-T55 WeakPolarHBondContact O-CA 3.34Å; T55-S57 PolarHBondContact O-N 2.92Å; T55-S57 PolarHBondContact OG1-N 3.26Å; T55-S57 PolarHBondContact OG1-OG 3.4Å; T55-D58 PolarHBondContact N-OD2 2.9Å; T55-D58 WeakPolarHBondContact O-CB 3.43Å; T55-D58 PolarHBondContact O-N 3.22Å; T55-D58 PolarHBondContact OG1-N 3.49Å; T55-D58 PolarHBondContact OG1-OD2 3.46Å; T55-Y59 WeakPolarHBondContact O-CD2 3.34Å
56L96.3Very high94.4Very high0 Ų073.6 Ų73.60%041%0.411CS..THydrogen-bonded Turntrans-57.9-37.5169.5-72.4-179.8000112.1M1 I3 V17 D21 I23 V26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 4.45Å; M1-L56 HydrophobicContact CE-CD1 4.12Å; I3-L56 HydrophobicContact CD1-CD1 4.42Å; V17-L56 HydrophobicContact CB-CD1 3.56Å; V17-L56 HydrophobicContact CG1-CD1 4.16Å; V17-L56 HydrophobicContact CG2-CD1 3.38Å; D21-L56 HydrophobicContact CB-CD1 4.27Å; D21-L56 PolarHBondContact O-N 3.42Å; I23-L56 HydrophobicContact CD1-CD2 3.96Å; V26-L56 HydrophobicContact CG2-CD1 3.92Å; V26-L56 HydrophobicContact CG2-CD2 3.91Å; V26-L56 HydrophobicContact CG2-CG 3.96Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.17Å; L56-Y59 PolarHBondContact O-N 3.24Å; L56-N60 PolarHBondContact O-N 3.07Å; L56-I61 HydrophobicContact CB-CB 4.29Å; L56-I61 HydrophobicContact CD2-CB 4.11Å; L56-I61 HydrophobicContact CD2-CD1 3.5Å; L56-I61 HydrophobicContact CD2-CG1 4.4Å; L56-I61 HydrophobicContact CD2-CG2 4.04Å; L56-I61 PolarHBondContact O-N 3.46Å
57S95.4Very high94.6Very high57 Ų5769.4 Ų69.440%0.39938%0.376SS..G310 helixtrans-64.2-34.6177.773.10000113P19 T55 Y59 N60P19-S57 WeakPolarHBondContact O-CB 3.28Å; P19-S57 PolarHBondContact O-N 3.47Å; P19-S57 PolarHBondContact O-OG 3.2Å; T55-S57 PolarHBondContact O-N 2.92Å; T55-S57 PolarHBondContact OG1-N 3.26Å; T55-S57 PolarHBondContact OG1-OG 3.4Å; S57-Y59 PolarHBondContact O-N 2.85Å; S57-N60 PolarHBondContact O-N 3.02Å
58D96Very high94.9Very high94 Ų9470.3 Ų70.350%0.50336%0.36SS..G310 helixtrans-62.9-24.8177.1-64.1-43.6000112.8R54 T55 L56R54-D58 HydrophobicContact CB-CB 4.24Å; T55-D58 PolarHBondContact N-OD2 2.9Å; T55-D58 WeakPolarHBondContact O-CB 3.43Å; T55-D58 PolarHBondContact O-N 3.22Å; T55-D58 PolarHBondContact OG1-N 3.49Å; T55-D58 PolarHBondContact OG1-OD2 3.46Å; L56-D58 VanDerWaalsContact C-N 3.33Å; L56-D58 PolarHBondContact O-N 3.17Å
59Y96.1Very high95Very high36 Ų3663.5 Ų63.514%0.14133%0.331CS..G310 helixtrans-99.16.3176.3-66.7-71.8000113.5I23 L50 E51 R54 T55 L56 S57 I61I23-Y59 HydrophobicContact CD1-CD2 4.16Å; I23-Y59 HydrophobicContact CD1-CE2 4.21Å; I23-Y59 HydrophobicContact CG1-CD2 4.35Å; I23-Y59 HydrophobicContact CG1-CE2 3.92Å; L50-Y59 HydrophobicContact CB-CE2 4.03Å; L50-Y59 HydrophobicContact CD2-CD1 3.61Å; L50-Y59 HydrophobicContact CD2-CD2 3.82Å; L50-Y59 HydrophobicContact CD2-CE1 3.72Å; L50-Y59 HydrophobicContact CD2-CE2 3.9Å; L50-Y59 HydrophobicContact CD2-CG 3.67Å; L50-Y59 HydrophobicContact CG-CE2 4.5Å; E51-Y59 WeakPolarHBondContact CB-OH 3.45Å; E51-Y59 PolarHBondContact N-OH 2.88Å; R54-Y59 HydrophobicContact CB-CD2 4.41Å; R54-Y59 HydrophobicContact CB-CE2 3.58Å; R54-Y59 WeakPolarHBondContact CD-OH 3.21Å; R54-Y59 HydrophobicContact CG-CE2 4.37Å; T55-Y59 WeakPolarHBondContact O-CD2 3.34Å; L56-Y59 PolarHBondContact O-N 3.24Å; S57-Y59 PolarHBondContact O-N 2.85Å; Y59-I61 PolarHBondContact O-N 3.47Å
60N94.8Very high94.8Very high126 Ų12661.7 Ų61.767%0.67432%0.324SS*.THydrogen-bonded Turntrans5235.8-172.8-65.5-50.8000112.8L56 S57 Q62L56-N60 PolarHBondContact O-N 3.07Å; S57-N60 PolarHBondContact O-N 3.02Å; N60-Q62 PolarHBondContact O-N 2.95Å
61I95Very high94.2Very high6 Ų665.5 Ų65.53%0.03134%0.344CS..  trans-75.1119.3175.1-65.7166.1000107.2M1 I3 F45 L50 L56 Y59 L67M1-I61 WeakPolarHBondContact CE-O 3.3Å; I3-I61 HydrophobicContact CG2-CG2 4.06Å; F45-I61 HydrophobicContact CB-CD1 4.34Å; F45-I61 HydrophobicContact CD1-CD1 4.17Å; F45-I61 HydrophobicContact CD1-CG1 3.6Å; F45-I61 HydrophobicContact CD2-CG1 4.35Å; F45-I61 HydrophobicContact CE1-CG1 3.7Å; F45-I61 HydrophobicContact CE2-CG1 4.44Å; F45-I61 HydrophobicContact CG-CD1 4.2Å; F45-I61 HydrophobicContact CG-CG1 3.94Å; F45-I61 HydrophobicContact CZ-CG1 4.13Å; L50-I61 HydrophobicContact CD1-CD1 3.89Å; L56-I61 HydrophobicContact CB-CB 4.29Å; L56-I61 HydrophobicContact CD2-CB 4.11Å; L56-I61 HydrophobicContact CD2-CD1 3.5Å; L56-I61 HydrophobicContact CD2-CG1 4.4Å; L56-I61 HydrophobicContact CD2-CG2 4.04Å; L56-I61 PolarHBondContact O-N 3.46Å; Y59-I61 PolarHBondContact O-N 3.47Å; I61-L67 HydrophobicContact CD1-CD1 4.16Å; I61-L67 HydrophobicContact CD1-CD2 4.32Å; I61-L67 HydrophobicContact CD1-CG 4.41Å; I61-L67 HydrophobicContact CG2-CD1 3.95Å
62Q92.8Very high93.3Very high136 Ų13665.5 Ų65.564%0.63634%0.34SS*.  trans-108.6173.7-177.8-61.3-163-12.500111.5N60 E64 S65N60-Q62 PolarHBondContact O-N 2.95Å; Q62-E64 PolarHBondContact O-N 2.92Å; Q62-S65 PolarHBondContact N-OG 3.35Å; Q62-S65 WeakPolarHBondContact O-CB 3.42Å; Q62-S65 PolarHBondContact O-N 2.94Å; Q62-S65 PolarHBondContact O-OG 3.38Å
63K95Very high91.9Very high134 Ų13470.2 Ų70.258%0.58336%0.364SS*.THydrogen-bonded Turntrans-48138.5169.2-172.7-173.4172.9-161.30110.2M1 S65M1-K63 HydrophobicContact CB-CB 4.42Å; K63-S65 PolarHBondContact O-N 3.03Å
64E94.3Very high90.1Very high118 Ų11878.3 Ų78.355%0.55137%0.373SS*.THydrogen-bonded Turntrans65.56.9-178.7-67.4159.9-148.500115.3Q2 F4 Q62Q2-E64 PolarHBondContact O-N 3.12Å; F4-E64 HydrophobicContact CE2-CB 4.07Å; F4-E64 HydrophobicContact CE2-CG 4.03Å; Q62-E64 PolarHBondContact O-N 2.92Å
65S96.4Very high88.5Confident20 Ų2075.3 Ų75.314%0.1438%0.376CS..  trans-62.1145.5171.4-660000111.4F4 Q62 K63F4-S65 PolarHBondContact N-O 3.21Å; Q62-S65 PolarHBondContact N-OG 3.35Å; Q62-S65 WeakPolarHBondContact O-CB 3.42Å; Q62-S65 PolarHBondContact O-N 2.94Å; Q62-S65 PolarHBondContact O-OG 3.38Å; K63-S65 PolarHBondContact O-N 3.03Å
66T95.9Very high87.3Confident46 Ų4674.3 Ų74.328%0.28237%0.372SS..EExtended strand (participates in β ladder)trans-112116.6177.3-58.30000111F4 K6 F45F4-T66 HydrophobicContact CB-CG2 4.39Å; F4-T66 CarbonylContact O-C 3.47Å; F4-T66 VanDerWaalsContact O-CA 3.29Å; F4-T66 WeakPolarHBondContact O-CA 3.36Å; K6-T66 HydrophobicContact CB-CG2 4.19Å; K6-T66 HydrophobicContact CD-CG2 3.86Å; K6-T66 HydrophobicContact CG-CG2 3.76Å; F45-T66 WeakPolarHBondContact CD2-O 3.25Å
67L96.7Very high86.8Confident0 Ų075.4 Ų75.40%038%0.377CS..EExtended strand (participates in β ladder)trans-88.9154.5169.1-73.964.1000109.3I3 F4 V5 K6 L43 F45 L50 I61I3-L67 HydrophobicContact CD1-CD1 4.12Å; I3-L67 HydrophobicContact CD1-CD2 4.44Å; F4-L67 PolarHBondContact O-N 3.04Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.27Å; V5-L67 HydrophobicContact CG2-CB 4.33Å; K6-L67 PolarHBondContact N-O 2.99Å; L43-L67 HydrophobicContact CB-CD2 4.46Å; L43-L67 HydrophobicContact CD1-CD2 4.26Å; F45-L67 HydrophobicContact CB-CG 4.31Å; F45-L67 HydrophobicContact CD2-CD1 4.17Å; F45-L67 HydrophobicContact CD2-CG 4.44Å; L50-L67 HydrophobicContact CD1-CD2 3.65Å; L50-L67 HydrophobicContact CD1-CG 4.17Å; I61-L67 HydrophobicContact CD1-CD1 4.16Å; I61-L67 HydrophobicContact CD1-CD2 4.32Å; I61-L67 HydrophobicContact CD1-CG 4.41Å; I61-L67 HydrophobicContact CG2-CD1 3.95Å
68H96.5Very high86.5Confident97 Ų9776 Ų7645%0.44937%0.374SS..EExtended strand (participates in β ladder)trans-108.4127.4172.2-65.873.3000109.3K6 L43 I44K6-H68 CarbonylContact O-C 3.47Å; K6-H68 WeakPolarHBondContact O-CA 3.5Å; L43-H68 CarbonylContact C-O 3.55Å; L43-H68 WeakPolarHBondContact CA-O 3.23Å; I44-H68 HydrophobicContact CB-CB 4.3Å; I44-H68 PolarHBondContact N-O 3.43Å; I44-H68 PolarHBondContact O-N 3.2Å
69L93.4Very high86.4Confident4 Ų471.6 Ų71.62%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-96.7120.6174.5174.562.7000109.8V5 K6 I30 I36 Q41 L43 L71V5-L69 HydrophobicContact CG1-CB 3.58Å; K6-L69 PolarHBondContact O-N 3.1Å; I30-L69 HydrophobicContact CG2-CD2 4.08Å; I36-L69 HydrophobicContact CD1-CD2 4.02Å; Q41-L69 HydrophobicContact CB-CD1 3.72Å; Q41-L69 HydrophobicContact CG-CD1 3.87Å; L43-L69 HydrophobicContact CD2-CB 4.13Å; L43-L69 HydrophobicContact CD2-CD1 3.83Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD2-CD2 4.29Å; L69-L71 HydrophobicContact CG-CD2 4.22Å
70V89.1Confident86.4Confident36 Ų3672.4 Ų72.422%0.21835%0.354CS..EExtended strand (participates in β ladder)trans-113.4128.7170.9177.20000108.3L8 R42 I44L8-V70 HydrophobicContact CD1-CG1 4.2Å; L8-V70 HydrophobicContact CD1-CG2 4.38Å; L8-V70 HydrophobicContact CD2-CG2 4.2Å; L8-V70 HydrophobicContact CG-CG2 4.34Å; R42-V70 WeakPolarHBondContact CA-O 3.26Å; R42-V70 HydrophobicContact CB-CB 4.24Å; R42-V70 WeakPolarHBondContact CB-O 3.15Å; R42-V70 PolarHBondContact N-O 3.16Å; R42-V70 PolarHBondContact O-N 3.25Å; I44-V70 HydrophobicContact CD1-CB 4.39Å; I44-V70 HydrophobicContact CD1-CG2 3.66Å
71L83.8Confident86.5Confident83 Ų8366.4 Ų66.444%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-83.3131.7177.7-58.3-178.6000110.8I36 Q40 L69 L73I36-L71 HydrophobicContact CD1-CD2 3.98Å; I36-L71 HydrophobicContact CG2-CD2 3.53Å; Q40-L71 WeakPolarHBondContact O-CA 3.44Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD2-CD2 4.29Å; L69-L71 HydrophobicContact CG-CD2 4.22Å; L71-L73 PolarHBondContact O-N 3.21Å
72R75.1Confident86.5Confident104 Ų10470.3 Ų70.339%0.39234%0.339SS..  trans-78.9116171-65.6-179.1175.5171.2-3.2108.6D39 Q40 R42 R74D39-R72 WeakPolarHBondContact O-CD 3.4Å; D39-R72 PolarHBondContact O-NH1 2.99Å; Q40-R72 PolarHBondContact O-N 2.95Å; R42-R72 HydrophobicContact CB-CG 4.37Å; R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.13Å
73L61.6Low86.3Confident167 Ų16765 Ų6587%0.87432%0.316SS*.THydrogen-bonded Turntrans-69.4-13.9-172.9-72.9168.4000115.7L71L71-L73 PolarHBondContact O-N 3.21Å
74R56.1Low85.8Confident241 Ų24165.4 Ų65.491%0.90932%0.324SS*.THydrogen-bonded Turntrans-148.425.5-165-65.8-169.8-177.7177.10.5116.2R72R72-R74 VanDerWaalsContact C-N 3.29Å; R72-R74 PolarHBondContact O-N 3.13Å
75G60.9Low85.2Confident48 Ų4865.7 Ų65.750%0.49533%0.334SS..  trans-103.6-19.7-169.500000117.6
76G71.7Confident84.6Confident7 Ų767.2 Ų67.27%0.07235%0.353CS..SBendtrans-73.6152-165.400000115.5D39 Q78D39-G76 WeakPolarHBondContact OD2-CA 3.04Å; G76-Q78 PolarHBondContact O-N 2.9Å
77M85.8Confident84.2Confident24 Ų2469.9 Ų69.912%0.11836%0.361CS..EExtended strand (participates in β ladder)trans-71.2113.5162.1167.4168.3162.200108.3I79 V93 P95 L132 I137 K139M77-I79 HydrophobicContact CE-CG2 4.15Å; M77-V93 WeakPolarHBondContact CB-O 3.2Å; M77-V93 HydrophobicContact CE-CG2 4.19Å; M77-V93 HydrophobicContact CG-CG2 4.1Å; M77-V93 PolarHBondContact O-N 2.88Å; M77-P95 HydrophobicContact SD-CG 3.74Å; M77-L132 HydrophobicContact CE-CD1 4.39Å; M77-I137 WeakPolarHBondContact CE-O 3.42Å; M77-K139 HydrophobicContact CG-CB 4.17Å
78Q89.6Confident83.9Confident70 Ų7073 Ų7333%0.32738%0.38SS..EExtended strand (participates in β ladder)trans-99.5141.9174.3-72.2177.58.800110.2G76 T90 L91 E92 E140G76-Q78 PolarHBondContact O-N 2.9Å; Q78-T90 HydrophobicContact CB-CG2 4.26Å; Q78-T90 HydrophobicContact CG-CG2 4.17Å; Q78-L91 CarbonylContact C-O 3.45Å; Q78-L91 VanDerWaalsContact CA-O 3.28Å; Q78-L91 WeakPolarHBondContact CA-O 3.47Å; Q78-E92 VanDerWaalsContact CD-OE1 3.22Å; Q78-E92 VanDerWaalsContact CG-CD 3.44Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.2Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.02Å; Q78-E92 PolarHBondContact NE2-OE1 3.23Å; Q78-E140 PolarHBondContact O-N 2.91Å
79I94.3Very high83.6Confident0 Ų068.7 Ų68.70%036%0.36CS..EExtended strand (participates in β ladder)trans-121.5163163.764.4170.8000109.6M77 L91 V93 V102 L132 I137 L143M77-I79 HydrophobicContact CE-CG2 4.15Å; I79-L91 HydrophobicContact CG1-CB 4.01Å; I79-L91 PolarHBondContact N-O 2.83Å; I79-L91 PolarHBondContact O-N 3.45Å; I79-V93 HydrophobicContact CB-CG2 4.23Å; I79-V93 HydrophobicContact CD1-CG1 3.91Å; I79-V93 HydrophobicContact CD1-CG2 4.04Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.75Å; I79-V93 HydrophobicContact CG2-CG2 3.66Å; I79-V102 HydrophobicContact CD1-CG1 4.23Å; I79-L132 HydrophobicContact CD1-CD1 4.24Å; I79-L132 HydrophobicContact CD1-CD2 4.36Å; I79-I137 HydrophobicContact CG2-CG2 3.91Å; I79-L143 HydrophobicContact CD1-CD1 4.12Å; I79-L143 HydrophobicContact CD1-CD2 4.21Å
80F96.2Very high83.5Confident53 Ų5370.9 Ų70.923%0.23237%0.374CS..EExtended strand (participates in β ladder)trans-113141.1176.3-56.1-75.6000110T88 I89 T90 E140 S141 T142 L143F80-T88 HydrophobicContact CB-CG2 3.86Å; F80-T88 HydrophobicContact CD1-CG2 4.01Å; F80-T88 HydrophobicContact CG-CG2 4.28Å; F80-I89 CarbonylContact C-O 3.46Å; F80-I89 WeakPolarHBondContact CA-O 3.21Å; F80-T90 HydrophobicContact CD1-CG2 4.37Å; F80-T90 HydrophobicContact CE1-CG2 4.11Å; F80-E140 HydrophobicContact CE2-CB 3.96Å; F80-E140 HydrophobicContact CE2-CG 3.98Å; F80-S141 PolarHBondContact N-O 3.01Å; F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.59Å; F80-T142 VanDerWaalsContact O-CA 3.27Å; F80-T142 WeakPolarHBondContact O-CA 3.24Å; F80-L143 PolarHBondContact O-N 3.47Å
81V96.5Very high83.6Confident0 Ų069.2 Ų69.20%036%0.364CS..EExtended strand (participates in β ladder)trans-120.6113.5174.4-177.70000108.3T88 I89 L91 I106 L119 L143 L145V81-T88 WeakPolarHBondContact O-CA 3.38Å; V81-I89 HydrophobicContact CB-CB 4.27Å; V81-I89 HydrophobicContact CB-CD1 4.5Å; V81-I89 HydrophobicContact CG1-CD1 4.48Å; V81-I89 PolarHBondContact N-O 3.17Å; V81-I89 PolarHBondContact O-N 3.42Å; V81-L91 HydrophobicContact CG2-CD1 3.52Å; V81-L91 HydrophobicContact CG2-CG 4.17Å; V81-I106 HydrophobicContact CG1-CD1 4.21Å; V81-I106 HydrophobicContact CG2-CD1 4.18Å; V81-L119 HydrophobicContact CG1-CD2 4.11Å; V81-L143 CarbonylContact C-O 3.49Å; V81-L143 WeakPolarHBondContact CA-O 3.28Å; V81-L143 HydrophobicContact CG2-CB 4.34Å; V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.47Å
82K94.4Very high83.8Confident88 Ų8867.7 Ų67.738%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-92124.5176.6-77.8-173.1-180-177.20110.6K87 T88 T142 L143 H144 L145K82-K87 WeakPolarHBondContact CA-O 3.41Å; K82-T88 HydrophobicContact CG-CG2 4.3Å; K82-T142 HydrophobicContact CB-CG2 4.26Å; K82-T142 HydrophobicContact CD-CG2 3.8Å; K82-T142 HydrophobicContact CG-CG2 3.72Å; K82-L143 PolarHBondContact N-O 3.29Å; K82-H144 CarbonylContact O-C 3.46Å; K82-H144 WeakPolarHBondContact O-CA 3.36Å; K82-L145 PolarHBondContact O-N 3.31Å
83T89.7Confident84.5Confident26 Ų2663 Ų6316%0.1634%0.337CS..EExtended strand (participates in β ladder)trans-81.1165.1172.271.40000110.8T85 G86 K87 I89 L145T83-T85 PolarHBondContact O-N 3.02Å; T83-T85 PolarHBondContact OG1-N 3.47Å; T83-T85 PolarHBondContact OG1-OG1 2.8Å; T83-G86 PolarHBondContact O-N 3.38Å; T83-K87 HydrophobicContact CG2-CB 4.35Å; T83-K87 PolarHBondContact N-O 3.23Å; T83-K87 WeakPolarHBondContact OG1-CB 3.43Å; T83-K87 PolarHBondContact OG1-N 3.09Å; T83-K87 PolarHBondContact OG1-O 3.11Å; T83-I89 HydrophobicContact CG2-CD1 3.78Å; T83-L145 HydrophobicContact CG2-CD2 4.39Å
84L84.5Confident85.7Confident141 Ų14156.8 Ų56.874%0.73830%0.303SS*.THydrogen-bonded Turntrans-62.2-20.3175-69.8177.8000114.1G86 V146L84-G86 VanDerWaalsContact C-N 3.28Å; L84-V146 HydrophobicContact CD1-CG1 4.21Å; L84-V146 HydrophobicContact CD1-CG2 4.43Å; L84-V146 HydrophobicContact CD2-CG2 4.14Å; L84-V146 HydrophobicContact CG-CG2 4.34Å
85T81.4Confident87.4Confident124 Ų12448.4 Ų48.476%0.76128%0.28SS*.THydrogen-bonded Turntrans-80.8-11.7176.665.30000112.6T83 K87T83-T85 PolarHBondContact O-N 3.02Å; T83-T85 PolarHBondContact OG1-N 3.47Å; T83-T85 PolarHBondContact OG1-OG1 2.8Å; T85-K87 PolarHBondContact OG1-N 2.85Å
86G83.5Confident88.8Confident53 Ų5349.5 Ų49.555%0.54628%0.28SS..SBendtrans97.1-10.5-174.400000114.1T83 L84 T88T83-G86 PolarHBondContact O-N 3.38Å; L84-G86 VanDerWaalsContact C-N 3.28Å; G86-T88 PolarHBondContact O-N 3.33Å
87K87.2Confident89.7Confident102 Ų10249.5 Ų49.544%0.44328%0.279SS..  trans-58.1132.3172.8-175.8-178.2176-169.90110K82 T83 T85 E110K82-K87 WeakPolarHBondContact CA-O 3.41Å; T83-K87 HydrophobicContact CG2-CB 4.35Å; T83-K87 PolarHBondContact N-O 3.23Å; T83-K87 WeakPolarHBondContact OG1-CB 3.43Å; T83-K87 PolarHBondContact OG1-N 3.09Å; T83-K87 PolarHBondContact OG1-O 3.11Å; T85-K87 PolarHBondContact OG1-N 2.85Å; K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 3.67Å; K87-E110 PolarHBondContact NZ-OE1 2.82Å; K87-E110 IonicContact NZ-OE2 3.58Å; K87-E110 PolarHBondContact NZ-OE2 3.36Å
88T90.1Very high90.2Very high65 Ų6550 Ų5040%0.39928%0.283SS..EExtended strand (participates in β ladder)trans-108.4124176.8-57.30000109.4F80 V81 K82 G86F80-T88 HydrophobicContact CB-CG2 3.86Å; F80-T88 HydrophobicContact CD1-CG2 4.01Å; F80-T88 HydrophobicContact CG-CG2 4.28Å; V81-T88 WeakPolarHBondContact O-CA 3.38Å; K82-T88 HydrophobicContact CG-CG2 4.3Å; G86-T88 PolarHBondContact O-N 3.33Å
89I90.4Very high90.6Very high6 Ų646.7 Ų46.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-104.1127.3178.9-54.6151.9000107.6F80 V81 T83 L91 K109 E110F80-I89 CarbonylContact C-O 3.46Å; F80-I89 WeakPolarHBondContact CA-O 3.21Å; V81-I89 HydrophobicContact CB-CB 4.27Å; V81-I89 HydrophobicContact CB-CD1 4.5Å; V81-I89 HydrophobicContact CG1-CD1 4.48Å; V81-I89 PolarHBondContact N-O 3.17Å; V81-I89 PolarHBondContact O-N 3.42Å; T83-I89 HydrophobicContact CG2-CD1 3.78Å; I89-L91 HydrophobicContact CG2-CD2 3.91Å; I89-L91 HydrophobicContact CG2-CG 4.38Å; I89-K109 HydrophobicContact CG2-CD 4.18Å; I89-E110 HydrophobicContact CD1-CG 3.59Å; I89-E110 HydrophobicContact CG1-CG 4.03Å; I89-E110 HydrophobicContact CG2-CG 4.43Å
90T91.6Very high90.6Very high51 Ų5152.3 Ų52.331%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-91.7128173.9-56.20000109.5Q78 F80 K109Q78-T90 HydrophobicContact CB-CG2 4.26Å; Q78-T90 HydrophobicContact CG-CG2 4.17Å; F80-T90 HydrophobicContact CD1-CG2 4.37Å; F80-T90 HydrophobicContact CE1-CG2 4.11Å; T90-K109 PolarHBondContact O-NZ 3.35Å
91L90.7Very high90.4Very high1 Ų153.2 Ų53.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-118.7136.5176.7-58.6177.4000110.4Q78 I79 V81 I89 V93 V102 K105 I106 K109Q78-L91 CarbonylContact C-O 3.45Å; Q78-L91 VanDerWaalsContact CA-O 3.28Å; Q78-L91 WeakPolarHBondContact CA-O 3.47Å; I79-L91 HydrophobicContact CG1-CB 4.01Å; I79-L91 PolarHBondContact N-O 2.83Å; I79-L91 PolarHBondContact O-N 3.45Å; V81-L91 HydrophobicContact CG2-CD1 3.52Å; V81-L91 HydrophobicContact CG2-CG 4.17Å; I89-L91 HydrophobicContact CG2-CD2 3.91Å; I89-L91 HydrophobicContact CG2-CG 4.38Å; L91-V93 HydrophobicContact CB-CG1 3.94Å; L91-V102 HydrophobicContact CD1-CG1 3.87Å; L91-K105 HydrophobicContact CD2-CB 4.32Å; L91-I106 HydrophobicContact CD1-CD1 4.04Å; L91-I106 HydrophobicContact CD1-CG1 3.52Å; L91-I106 HydrophobicContact CD2-CG1 4.28Å; L91-I106 HydrophobicContact CG-CG1 4.46Å; L91-K109 HydrophobicContact CD2-CD 3.89Å; L91-K109 HydrophobicContact CD2-CG 4.46Å
92E87.8Confident90.3Very high51 Ų5153.2 Ų53.224%0.23830%0.301CS..EExtended strand (participates in β ladder)trans-86.6121.1166.7-61.7-65.1158.800108.3Q40 Q78 K105Q40-E92 PolarHBondContact NE2-OE2 3.38Å; Q78-E92 VanDerWaalsContact CD-OE1 3.22Å; Q78-E92 VanDerWaalsContact CG-CD 3.44Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.2Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.02Å; Q78-E92 PolarHBondContact NE2-OE1 3.23Å; E92-K105 PolarHBondContact O-NZ 2.87Å
93V89.9Confident90.3Very high4 Ų449.3 Ų49.32%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-141.2160.8-172.3-61.40000111.3M77 I79 L91 D97 V102 K105 L132M77-V93 WeakPolarHBondContact CB-O 3.2Å; M77-V93 HydrophobicContact CE-CG2 4.19Å; M77-V93 HydrophobicContact CG-CG2 4.1Å; M77-V93 PolarHBondContact O-N 2.88Å; I79-V93 HydrophobicContact CB-CG2 4.23Å; I79-V93 HydrophobicContact CD1-CG1 3.91Å; I79-V93 HydrophobicContact CD1-CG2 4.04Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.75Å; I79-V93 HydrophobicContact CG2-CG2 3.66Å; L91-V93 HydrophobicContact CB-CG1 3.94Å; V93-D97 VanDerWaalsContact CA-OD2 3.25Å; V93-D97 WeakPolarHBondContact CA-OD2 3.4Å; V93-D97 WeakPolarHBondContact CB-OD2 3.22Å; V93-V102 HydrophobicContact CG1-CG2 4.29Å; V93-K105 HydrophobicContact CG1-CD 4.09Å; V93-L132 HydrophobicContact CB-CD1 3.56Å; V93-L132 HydrophobicContact CG1-CD1 4.12Å; V93-L132 HydrophobicContact CG2-CD1 3.43Å; V93-L132 VanDerWaalsContact CG2-CD1 3.43Å
94E88.4Confident90.4Very high37 Ų3749.7 Ų49.717%0.17329%0.29CS..  trans-110.8151.7170.4-63.3-172.8164.700110.8P38 S96 D97P38-E94 WeakPolarHBondContact CD-OE1 3.49Å; E94-S96 PolarHBondContact O-N 3.21Å; E94-S96 VanDerWaalsContact O-N 3.1Å; E94-S96 PolarHBondContact OE2-OG 2.83Å; E94-D97 PolarHBondContact N-OD2 2.78Å; E94-D97 VanDerWaalsContact O-CB 3.3Å; E94-D97 WeakPolarHBondContact O-CB 3.13Å; E94-D97 PolarHBondContact O-N 3.43Å
95P89.9Confident90.8Very high65 Ų6545 Ų4542%0.42226%0.264SS..THydrogen-bonded Turntrans-55.1-29.4174.9-24.632.8000113.7M77 L132 S133M77-P95 HydrophobicContact SD-CG 3.74Å; P95-L132 PolarHBondContact O-N 3.06Å; P95-S133 VanDerWaalsContact O-CB 3.24Å; P95-S133 WeakPolarHBondContact O-CB 3.31Å; P95-S133 PolarHBondContact O-N 3.11Å; P95-S133 PolarHBondContact O-OG 3.31Å
96S90.3Very high91.3Very high72 Ų7239 Ų3950%0.50323%0.227SC..THydrogen-bonded Turntrans-77.2-14.1176.239.40000114.2E94 T98 T131E94-S96 PolarHBondContact O-N 3.21Å; E94-S96 VanDerWaalsContact O-N 3.1Å; E94-S96 PolarHBondContact OE2-OG 2.83Å; S96-T98 PolarHBondContact O-N 2.73Å; S96-T131 WeakPolarHBondContact O-CG2 3.43Å
97D92.4Very high91.6Very high7 Ų738.3 Ų38.34%0.03721%0.21CC..  trans-59.9129.2179.5-84-31.3000109.9V93 E94 N101 V102 K105 T131 L132V93-D97 VanDerWaalsContact CA-OD2 3.25Å; V93-D97 WeakPolarHBondContact CA-OD2 3.4Å; V93-D97 WeakPolarHBondContact CB-OD2 3.22Å; E94-D97 PolarHBondContact N-OD2 2.78Å; E94-D97 VanDerWaalsContact O-CB 3.3Å; E94-D97 WeakPolarHBondContact O-CB 3.13Å; E94-D97 PolarHBondContact O-N 3.43Å; D97-N101 HydrophobicContact CB-CB 4.24Å; D97-N101 PolarHBondContact OD1-ND2 3.34Å; D97-V102 HydrophobicContact CB-CG2 4.3Å; D97-K105 VanDerWaalsContact OD2-CE 3.27Å; D97-K105 WeakPolarHBondContact OD2-CE 3.07Å; D97-K105 IonicContact OD2-NZ 2.8Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 WeakPolarHBondContact O-CA 3.48Å; D97-L132 HydrophobicContact CB-CD1 4.29Å; D97-L132 HydrophobicContact CB-CG 4.48Å; D97-L132 PolarHBondContact O-N 3.23Å
98T95.7Very high91.4Very high35 Ų3539.7 Ų39.722%0.21522%0.222CC..BIsolated β-bridgetrans-69.5158.3170.163.40000110.2S96 E100 N101 V102 R130 T131S96-T98 PolarHBondContact O-N 2.73Å; T98-E100 PolarHBondContact O-N 2.88Å; T98-N101 WeakPolarHBondContact O-CB 3.42Å; T98-N101 PolarHBondContact O-N 3.12Å; T98-N101 PolarHBondContact OG1-N 3.44Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.79Å; T98-N101 VanDerWaalsContact OG1-OD1 3.09Å; T98-V102 WeakPolarHBondContact O-CG2 3.48Å; T98-V102 PolarHBondContact O-N 2.64Å; T98-R130 CarbonylContact C-O 3.56Å; T98-R130 WeakPolarHBondContact CA-O 3.18Å; T98-T131 HydrophobicContact CG2-CG2 4.47Å
99I96.8Very high91.2Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-62.2-31.5174-60.6-55.7000110.9V102 K103 L119 L126 E127 D128 R130 L132 Y135I99-V102 PolarHBondContact O-N 2.71Å; I99-K103 VanDerWaalsContact O-CG 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.34Å; I99-K103 PolarHBondContact O-N 2.81Å; I99-L119 HydrophobicContact CG2-CD1 4.17Å; I99-L126 HydrophobicContact CB-CB 4.5Å; I99-L126 HydrophobicContact CD1-CB 3.92Å; I99-L126 HydrophobicContact CD1-CD1 3.62Å; I99-L126 HydrophobicContact CD1-CG 4.31Å; I99-L126 HydrophobicContact CG1-CB 3.87Å; I99-L126 HydrophobicContact CG1-CD1 4.5Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; I99-E127 VanDerWaalsContact CB-O 3.29Å; I99-E127 WeakPolarHBondContact CB-O 3.26Å; I99-E127 VanDerWaalsContact CG1-O 3.25Å; I99-E127 WeakPolarHBondContact CG1-O 3.49Å; I99-D128 PolarHBondContact N-O 2.73Å; I99-R130 WeakPolarHBondContact CG1-O 3.49Å; I99-R130 PolarHBondContact N-O 2.8Å; I99-L132 HydrophobicContact CD1-CD2 3.91Å; I99-Y135 HydrophobicContact CD1-CD2 4.26Å; I99-Y135 HydrophobicContact CD1-CE2 4.36Å; I99-Y135 HydrophobicContact CG1-CD2 4.4Å; I99-Y135 HydrophobicContact CG1-CE2 4.03Å
100E94.6Very high91.1Very high117 Ų11745 Ų4555%0.54724%0.24SC..Hα-helixtrans-58.8-47.6169.3-170.4172-163.600112.3T98 V102 K103 A104 D128T98-E100 PolarHBondContact O-N 2.88Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.86Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.38Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-A104 PolarHBondContact O-N 2.67Å; E100-D128 HydrophobicContact CB-CB 4.23Å; E100-D128 PolarHBondContact N-O 2.99Å; E100-D128 VanDerWaalsContact N-O 3.15Å
101N92.5Very high90.7Very high73 Ų7345.1 Ų45.139%0.3925%0.252SS..Hα-helixtrans-59.8-41.3175.2-66-2.1000111.7D97 T98 K103 A104 K105D97-N101 HydrophobicContact CB-CB 4.24Å; D97-N101 PolarHBondContact OD1-ND2 3.34Å; T98-N101 WeakPolarHBondContact O-CB 3.42Å; T98-N101 PolarHBondContact O-N 3.12Å; T98-N101 PolarHBondContact OG1-N 3.44Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.79Å; T98-N101 VanDerWaalsContact OG1-OD1 3.09Å; N101-K103 VanDerWaalsContact C-N 3.3Å; N101-K103 PolarHBondContact O-N 3.43Å; N101-A104 PolarHBondContact O-N 2.82Å; N101-K105 WeakPolarHBondContact O-CG 3.47Å; N101-K105 PolarHBondContact O-N 2.92Å
102V94.9Very high90.4Very high0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-62.8-39.9176.8177.80000110.8I79 L91 V93 D97 T98 I99 E100 K105 I106 L119 L132I79-V102 HydrophobicContact CD1-CG1 4.23Å; L91-V102 HydrophobicContact CD1-CG1 3.87Å; V93-V102 HydrophobicContact CG1-CG2 4.29Å; D97-V102 HydrophobicContact CB-CG2 4.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.48Å; T98-V102 PolarHBondContact O-N 2.64Å; I99-V102 PolarHBondContact O-N 2.71Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.86Å; V102-K105 PolarHBondContact O-N 2.92Å; V102-I106 HydrophobicContact CG1-CD1 4.23Å; V102-I106 WeakPolarHBondContact O-CG1 3.42Å; V102-I106 PolarHBondContact O-N 3.09Å; V102-L119 HydrophobicContact CB-CD1 4.31Å; V102-L119 HydrophobicContact CG1-CD1 3.75Å; V102-L132 HydrophobicContact CG2-CD1 3.99Å; V102-L132 HydrophobicContact CG2-CD2 3.92Å; V102-L132 HydrophobicContact CG2-CG 3.99Å
103K94.7Very high90.3Very high5 Ų544.2 Ų44.22%0.02225%0.249CC..Hα-helixtrans-66-42.1175.7-72.6171.1162.7-165.60112.4I99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128I99-K103 VanDerWaalsContact O-CG 3.3Å; I99-K103 WeakPolarHBondContact O-CG 3.34Å; I99-K103 PolarHBondContact O-N 2.81Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.38Å; E100-K103 VanDerWaalsContact O-N 3.1Å; N101-K103 VanDerWaalsContact C-N 3.3Å; N101-K103 PolarHBondContact O-N 3.43Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 2.89Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.45Å; K103-I106 VanDerWaalsContact O-N 3.12Å; K103-Q107 PolarHBondContact O-N 3.04Å; K103-P114 HydrophobicContact CB-CB 3.8Å; K103-P114 HydrophobicContact CB-CG 4.23Å; K103-P114 HydrophobicContact CD-CB 4.23Å; K103-P114 WeakPolarHBondContact CD-O 3.38Å; K103-P114 WeakPolarHBondContact CE-O 3.42Å; K103-P114 PolarHBondContact NZ-O 3.29Å; K103-P114 VanDerWaalsContact NZ-O 3.15Å; K103-Q117 VanDerWaalsContact CA-OE1 3.25Å; K103-Q117 HydrophobicContact CD-CB 4.39Å; K103-Q117 WeakPolarHBondContact CE-O 3.41Å; K103-Q117 HydrophobicContact CG-CB 4.06Å; K103-Q117 PolarHBondContact NZ-O 2.79Å; K103-Q117 PolarHBondContact O-NE2 3.24Å; K103-Q117 PolarHBondContact O-OE1 3.05Å; K103-L119 HydrophobicContact CG-CD1 3.9Å; K103-L119 HydrophobicContact CG-CG 4.43Å; K103-D128 WeakPolarHBondContact CD-OD1 3.49Å; K103-D128 WeakPolarHBondContact CE-OD1 3.27Å; K103-D128 IonicContact NZ-OD1 3.61Å; K103-D128 PolarHBondContact NZ-OD1 2.93Å; K103-D128 IonicContact NZ-OD2 3.59Å; K103-D128 PolarHBondContact NZ-OD2 3.18Å
104A90.9Very high90.2Very high35 Ų3544.9 Ų44.929%0.28925%0.253SS..Hα-helixtrans-58.3-45.217300000110.8E100 N101 I106 Q107 D108E100-A104 PolarHBondContact O-N 2.67Å; N101-A104 PolarHBondContact O-N 2.82Å; A104-I106 VanDerWaalsContact C-N 3.26Å; A104-I106 PolarHBondContact O-N 2.87Å; A104-Q107 WeakPolarHBondContact O-CA 3.43Å; A104-Q107 VanDerWaalsContact O-CB 3.27Å; A104-Q107 WeakPolarHBondContact O-CB 3.32Å; A104-Q107 PolarHBondContact O-N 2.81Å; A104-D108 VanDerWaalsContact O-CG 3.27Å; A104-D108 PolarHBondContact O-N 2.8Å
105K92.3Very high90Very high41 Ų4145.6 Ų45.618%0.17826%0.258CS..Hα-helixtrans-60.3-33.1174.9-69.2166-177-86.70113.4L91 E92 V93 D97 N101 V102 K103 K109L91-K105 HydrophobicContact CD2-CB 4.32Å; E92-K105 PolarHBondContact O-NZ 2.87Å; V93-K105 HydrophobicContact CG1-CD 4.09Å; D97-K105 VanDerWaalsContact OD2-CE 3.27Å; D97-K105 WeakPolarHBondContact OD2-CE 3.07Å; D97-K105 IonicContact OD2-NZ 2.8Å; N101-K105 WeakPolarHBondContact O-CG 3.47Å; N101-K105 PolarHBondContact O-N 2.92Å; V102-K105 PolarHBondContact O-N 2.92Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 2.89Å; K105-K109 WeakPolarHBondContact O-CG 3.5Å; K105-K109 PolarHBondContact O-N 3.23Å
106I92.8Very high89.9Confident0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-72.3-39.7173.6-66.9162.8000110.6V81 L91 V102 K103 A104 D108 K109 E110 Q117 L119 L145V81-I106 HydrophobicContact CG1-CD1 4.21Å; V81-I106 HydrophobicContact CG2-CD1 4.18Å; L91-I106 HydrophobicContact CD1-CD1 4.04Å; L91-I106 HydrophobicContact CD1-CG1 3.52Å; L91-I106 HydrophobicContact CD2-CG1 4.28Å; L91-I106 HydrophobicContact CG-CG1 4.46Å; V102-I106 HydrophobicContact CG1-CD1 4.23Å; V102-I106 WeakPolarHBondContact O-CG1 3.42Å; V102-I106 PolarHBondContact O-N 3.09Å; K103-I106 WeakPolarHBondContact O-CB 3.44Å; K103-I106 PolarHBondContact O-N 3.45Å; K103-I106 VanDerWaalsContact O-N 3.12Å; A104-I106 VanDerWaalsContact C-N 3.26Å; A104-I106 PolarHBondContact O-N 2.87Å; I106-D108 VanDerWaalsContact C-N 3.32Å; I106-K109 PolarHBondContact O-N 3.3Å; I106-E110 HydrophobicContact CG2-CB 4.43Å; I106-E110 HydrophobicContact CG2-CG 4.47Å; I106-E110 WeakPolarHBondContact O-CB 3.35Å; I106-E110 PolarHBondContact O-N 2.78Å; I106-Q117 VanDerWaalsContact CB-OE1 3.28Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.23Å; I106-Q117 HydrophobicContact CG2-CG 4.48Å; I106-L119 HydrophobicContact CD1-CD1 3.98Å; I106-L119 HydrophobicContact CD1-CD2 3.66Å; I106-L119 HydrophobicContact CD1-CG 4.34Å; I106-L145 HydrophobicContact CG2-CD2 4.09Å
107Q89.6Confident89.9Confident37 Ų3740.5 Ų40.517%0.17322%0.221CC..Hα-helixtrans-59.4-46174.6-176.9-176.912.200110.7K103 A104 K109 E110 G111 I112 P114K103-Q107 PolarHBondContact O-N 3.04Å; A104-Q107 WeakPolarHBondContact O-CA 3.43Å; A104-Q107 VanDerWaalsContact O-CB 3.27Å; A104-Q107 WeakPolarHBondContact O-CB 3.32Å; A104-Q107 PolarHBondContact O-N 2.81Å; Q107-K109 PolarHBondContact O-N 3.23Å; Q107-E110 PolarHBondContact O-N 2.88Å; Q107-G111 WeakPolarHBondContact O-CA 3.28Å; Q107-G111 PolarHBondContact O-N 2.65Å; Q107-I112 VanDerWaalsContact CA-O 3.25Å; Q107-I112 WeakPolarHBondContact CA-O 3.28Å; Q107-I112 WeakPolarHBondContact CB-O 3.41Å; Q107-I112 WeakPolarHBondContact CG-O 3.44Å; Q107-P114 HydrophobicContact CB-CG 4.5Å; Q107-P114 VanDerWaalsContact CD-CD 3.46Å
108D82.5Confident89.9Confident132 Ų13245.1 Ų45.171%0.70624%0.238SC*.Hα-helixtrans-61.9-33.4179-62.9-25.5000112.2A104 I106A104-D108 VanDerWaalsContact O-CG 3.27Å; A104-D108 PolarHBondContact O-N 2.8Å; I106-D108 VanDerWaalsContact C-N 3.32Å
109K85.7Confident89.9Confident119 Ų11943.5 Ų43.552%0.51723%0.228SC..Hα-helixtrans-87.6-34.8-179.5-74.4-154.5179.7-162.50114.9I89 T90 L91 K105 I106 Q107I89-K109 HydrophobicContact CG2-CD 4.18Å; T90-K109 PolarHBondContact O-NZ 3.35Å; L91-K109 HydrophobicContact CD2-CD 3.89Å; L91-K109 HydrophobicContact CD2-CG 4.46Å; K105-K109 WeakPolarHBondContact O-CG 3.5Å; K105-K109 PolarHBondContact O-N 3.23Å; I106-K109 PolarHBondContact O-N 3.3Å; Q107-K109 PolarHBondContact O-N 3.23Å
110E88.1Confident89.9Confident62 Ų6245.4 Ų45.429%0.2924%0.237SC..Hα-helixtrans-122.5-3-167.9-60.7-73137.400112.8K87 I89 I106 Q107 I112K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 3.67Å; K87-E110 PolarHBondContact NZ-OE1 2.82Å; K87-E110 IonicContact NZ-OE2 3.58Å; K87-E110 PolarHBondContact NZ-OE2 3.36Å; I89-E110 HydrophobicContact CD1-CG 3.59Å; I89-E110 HydrophobicContact CG1-CG 4.03Å; I89-E110 HydrophobicContact CG2-CG 4.43Å; I106-E110 HydrophobicContact CG2-CB 4.43Å; I106-E110 HydrophobicContact CG2-CG 4.47Å; I106-E110 WeakPolarHBondContact O-CB 3.35Å; I106-E110 PolarHBondContact O-N 2.78Å; Q107-E110 PolarHBondContact O-N 2.88Å; E110-I112 HydrophobicContact CB-CD1 3.85Å; E110-I112 HydrophobicContact CB-CG1 3.81Å; E110-I112 WeakPolarHBondContact O-CG1 3.41Å; E110-I112 PolarHBondContact O-N 2.83Å
111G84.2Confident90Very high54 Ų5441.8 Ų41.856%0.55722%0.22SC*.  trans71.210.1-178.600000114.6Q107 P113Q107-G111 WeakPolarHBondContact O-CA 3.28Å; Q107-G111 PolarHBondContact O-N 2.65Å; G111-P113 WeakPolarHBondContact O-CD 3.46Å
112I85.1Confident90Very high26 Ų2642.5 Ų42.513%0.13324%0.236CC..  trans-89.9118.8-172.3-51.8-180000109.9Q107 E110 Q116 Q117 L145 L147Q107-I112 VanDerWaalsContact CA-O 3.25Å; Q107-I112 WeakPolarHBondContact CA-O 3.28Å; Q107-I112 WeakPolarHBondContact CB-O 3.41Å; Q107-I112 WeakPolarHBondContact CG-O 3.44Å; E110-I112 HydrophobicContact CB-CD1 3.85Å; E110-I112 HydrophobicContact CB-CG1 3.81Å; E110-I112 WeakPolarHBondContact O-CG1 3.41Å; E110-I112 PolarHBondContact O-N 2.83Å; I112-Q116 HydrophobicContact CG2-CB 4.45Å; I112-Q117 HydrophobicContact CB-CG 4.33Å; I112-Q117 HydrophobicContact CG2-CG 3.7Å; I112-Q117 PolarHBondContact O-NE2 2.77Å; I112-L145 HydrophobicContact CD1-CD2 4.11Å; I112-L147 HydrophobicContact CD1-CD1 4.5Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD2 3.57Å
113P84.7Confident89.8Confident7 Ų746.1 Ų46.15%0.04527%0.273CS..  trans-60.9138.4-179.9-26.836.8000114.2G111 D115 Q116 Q117 E168G111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 VanDerWaalsContact CB-OD1 3.26Å; P113-D115 WeakPolarHBondContact CB-OD1 3.49Å; P113-D115 PolarHBondContact O-N 2.86Å; P113-Q116 HydrophobicContact CB-CG 4.34Å; P113-Q116 WeakPolarHBondContact O-CB 3.36Å; P113-Q116 PolarHBondContact O-N 3.5Å; P113-Q117 WeakPolarHBondContact O-CG 3.42Å; P113-Q117 PolarHBondContact O-N 3.23Å; P113-E168 HydrophobicContact CG-CB 4.38Å
114P88.2Confident89.8Confident19 Ų1952.9 Ų52.912%0.12330%0.303CS..THydrogen-bonded Turntrans-50.8-35.3-180-33.234.8000116K103 Q107 Q116 Q117 E170K103-P114 HydrophobicContact CB-CB 3.8Å; K103-P114 HydrophobicContact CB-CG 4.23Å; K103-P114 HydrophobicContact CD-CB 4.23Å; K103-P114 WeakPolarHBondContact CD-O 3.38Å; K103-P114 WeakPolarHBondContact CE-O 3.42Å; K103-P114 PolarHBondContact NZ-O 3.29Å; K103-P114 VanDerWaalsContact NZ-O 3.15Å; Q107-P114 HydrophobicContact CB-CG 4.5Å; Q107-P114 VanDerWaalsContact CD-CD 3.46Å; P114-Q116 VanDerWaalsContact C-N 3.32Å; P114-Q116 PolarHBondContact O-N 2.87Å; P114-Q117 PolarHBondContact O-N 3.2Å; P114-E170 VanDerWaalsContact CD-OE1 3.27Å; P114-E170 WeakPolarHBondContact CD-OE1 3.5Å
115D83.8Confident90Very high51 Ų5155 Ų5527%0.27331%0.306SS..THydrogen-bonded Turntrans-70.6-27.3179.772.6-30000113.3P113 R148 G152P113-D115 VanDerWaalsContact C-N 3.26Å; P113-D115 VanDerWaalsContact CB-OD1 3.26Å; P113-D115 WeakPolarHBondContact CB-OD1 3.49Å; P113-D115 PolarHBondContact O-N 2.86Å; D115-R148 WeakPolarHBondContact O-CD 3.3Å; D115-R148 PolarHBondContact O-NH1 2.94Å; D115-G152 WeakPolarHBondContact OD2-CA 3.14Å
116Q87.2Confident90.2Very high30 Ų3053.2 Ų53.214%0.1430%0.299CS..THydrogen-bonded Turntrans-81-19.5172.8-62.5-171.60.300112.7I112 P113 P114 R148 E168I112-Q116 HydrophobicContact CG2-CB 4.45Å; P113-Q116 HydrophobicContact CB-CG 4.34Å; P113-Q116 WeakPolarHBondContact O-CB 3.36Å; P113-Q116 PolarHBondContact O-N 3.5Å; P114-Q116 VanDerWaalsContact C-N 3.32Å; P114-Q116 PolarHBondContact O-N 2.87Å; Q116-R148 PolarHBondContact O-N 2.87Å; Q116-E168 PolarHBondContact NE2-OE2 3.02Å
117Q91.7Very high90.3Very high0 Ų058.2 Ų58.20%032%0.322CS..EExtended strand (participates in β ladder)trans-81.8127-178-63.7179.23900111.9K103 I106 I112 P113 P114 L145K103-Q117 VanDerWaalsContact CA-OE1 3.25Å; K103-Q117 HydrophobicContact CD-CB 4.39Å; K103-Q117 WeakPolarHBondContact CE-O 3.41Å; K103-Q117 HydrophobicContact CG-CB 4.06Å; K103-Q117 PolarHBondContact NZ-O 2.79Å; K103-Q117 PolarHBondContact O-NE2 3.24Å; K103-Q117 PolarHBondContact O-OE1 3.05Å; I106-Q117 VanDerWaalsContact CB-OE1 3.28Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.23Å; I106-Q117 HydrophobicContact CG2-CG 4.48Å; I112-Q117 HydrophobicContact CB-CG 4.33Å; I112-Q117 HydrophobicContact CG2-CG 3.7Å; I112-Q117 PolarHBondContact O-NE2 2.77Å; P113-Q117 WeakPolarHBondContact O-CG 3.42Å; P113-Q117 PolarHBondContact O-N 3.23Å; P114-Q117 PolarHBondContact O-N 3.2Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.94Å
118R92.7Very high90.4Very high105 Ų10559.7 Ų59.740%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-116.3103.6168.3-168.5-175.3-163.9-174.73.6109.2I120 Q125 V146R118-I120 HydrophobicContact CG-CG1 4.44Å; R118-Q125 HydrophobicContact CG-CG 3.97Å; R118-V146 WeakPolarHBondContact CA-O 3.49Å; R118-V146 HydrophobicContact CB-CB 4.23Å; R118-V146 WeakPolarHBondContact CB-O 3.27Å; R118-V146 PolarHBondContact N-O 2.91Å; R118-V146 PolarHBondContact O-N 3.34Å
119L95.8Very high91Very high1 Ų156.8 Ų56.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-86.7133.7175.8-63.3177.9000110.7V81 I99 V102 K103 I106 Q125 L126 L143 H144 L145V81-L119 HydrophobicContact CG1-CD2 4.11Å; I99-L119 HydrophobicContact CG2-CD1 4.17Å; V102-L119 HydrophobicContact CB-CD1 4.31Å; V102-L119 HydrophobicContact CG1-CD1 3.75Å; K103-L119 HydrophobicContact CG-CD1 3.9Å; K103-L119 HydrophobicContact CG-CG 4.43Å; I106-L119 HydrophobicContact CD1-CD1 3.98Å; I106-L119 HydrophobicContact CD1-CD2 3.66Å; I106-L119 HydrophobicContact CD1-CG 4.34Å; L119-Q125 WeakPolarHBondContact O-CA 3.29Å; L119-L126 HydrophobicContact CB-CB 4.3Å; L119-L126 HydrophobicContact CB-CD1 4.02Å; L119-L126 HydrophobicContact CB-CG 4.36Å; L119-L126 PolarHBondContact O-N 3.43Å; L119-L143 HydrophobicContact CB-CD2 4.47Å; L119-L143 HydrophobicContact CD1-CD2 4.33Å; L119-H144 WeakPolarHBondContact CA-O 3.22Å; L119-L145 HydrophobicContact CD2-CB 4.18Å; L119-L145 HydrophobicContact CD2-CD1 3.85Å
120I96.6Very high91.5Very high39 Ų3956.3 Ų56.320%0.233%0.327CS..EExtended strand (participates in β ladder)trans-129.1131.2-177.6-57.1171.2000108.6R118 K124 H144 V146R118-I120 HydrophobicContact CG-CG1 4.44Å; I120-K124 CarbonylContact C-O 3.48Å; I120-K124 VanDerWaalsContact CA-O 3.28Å; I120-K124 WeakPolarHBondContact CA-O 3.26Å; I120-H144 HydrophobicContact CB-CB 4.3Å; I120-H144 PolarHBondContact N-O 2.71Å; I120-H144 PolarHBondContact O-N 2.98Å; I120-V146 HydrophobicContact CD1-CB 4.44Å; I120-V146 HydrophobicContact CD1-CG2 3.73Å
121F96.8Very high91.8Very high42 Ų4254.6 Ų54.618%0.18432%0.322CS..EExtended strand (participates in β ladder)trans-137.1137174.3-177.5-111.5000109.8G123 K124 L126 I137 L143F121-G123 PolarHBondContact O-N 2.94Å; F121-G123 VanDerWaalsContact O-N 3.09Å; F121-K124 PolarHBondContact N-O 2.75Å; F121-K124 PolarHBondContact O-N 3.29Å; F121-K124 VanDerWaalsContact O-O 3.13Å; F121-L126 HydrophobicContact CB-CD1 4.1Å; F121-L126 HydrophobicContact CB-CD2 3.9Å; F121-L126 HydrophobicContact CB-CG 4.26Å; F121-I137 HydrophobicContact CB-CD1 4.38Å; F121-I137 HydrophobicContact CD1-CD1 4.17Å; F121-I137 HydrophobicContact CD1-CG1 3.64Å; F121-I137 HydrophobicContact CD2-CG1 4.37Å; F121-I137 HydrophobicContact CE1-CG1 3.71Å; F121-I137 HydrophobicContact CE2-CG1 4.45Å; F121-I137 HydrophobicContact CG-CD1 4.2Å; F121-I137 HydrophobicContact CG-CG1 3.99Å; F121-I137 HydrophobicContact CZ-CG1 4.13Å; F121-L143 HydrophobicContact CB-CG 4.31Å; F121-L143 HydrophobicContact CD2-CD1 4.08Å; F121-L143 HydrophobicContact CD2-CG 4.41Å
122A92.3Very high92.4Very high87 Ų8752 Ų5272%0.71930%0.295SS*.THydrogen-bonded Turntrans47.939.1-177.900000113.8K124A122-K124 PolarHBondContact O-N 2.9Å
123G90.9Very high92.8Very high76 Ų7653.3 Ų53.378%0.78431%0.306SS*.THydrogen-bonded Turntrans74.30.3-178.500000115.5F121F121-G123 PolarHBondContact O-N 2.94Å; F121-G123 VanDerWaalsContact O-N 3.09Å
124K93.8Very high93.4Very high147 Ų14757.4 Ų57.464%0.63933%0.328SS*.EExtended strand (participates in β ladder)trans-105.3137.7177.7-66.3-175.6-179.3179.60110.9I120 F121 A122I120-K124 CarbonylContact C-O 3.48Å; I120-K124 VanDerWaalsContact CA-O 3.28Å; I120-K124 WeakPolarHBondContact CA-O 3.26Å; F121-K124 PolarHBondContact N-O 2.75Å; F121-K124 PolarHBondContact O-N 3.29Å; F121-K124 VanDerWaalsContact O-O 3.13Å; A122-K124 PolarHBondContact O-N 2.9Å
125Q94.5Very high93.7Very high79 Ų7958.2 Ų58.237%0.36933%0.329SS..EExtended strand (participates in β ladder)trans-70.6136.3167.3-179.4-176.4-28.900109.2R118 L119R118-Q125 HydrophobicContact CG-CG 3.97Å; L119-Q125 WeakPolarHBondContact O-CA 3.29Å
126L96.4Very high94.3Very high4 Ų461.6 Ų61.62%0.02135%0.347CS..PPolyproline II helixtrans-84.4143.9178-55.8-174.8000110.8I99 L119 F121 Y135 I137 L143I99-L126 HydrophobicContact CB-CB 4.5Å; I99-L126 HydrophobicContact CD1-CB 3.92Å; I99-L126 HydrophobicContact CD1-CD1 3.62Å; I99-L126 HydrophobicContact CD1-CG 4.31Å; I99-L126 HydrophobicContact CG1-CB 3.87Å; I99-L126 HydrophobicContact CG1-CD1 4.5Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; L119-L126 HydrophobicContact CB-CB 4.3Å; L119-L126 HydrophobicContact CB-CD1 4.02Å; L119-L126 HydrophobicContact CB-CG 4.36Å; L119-L126 PolarHBondContact O-N 3.43Å; F121-L126 HydrophobicContact CB-CD1 4.1Å; F121-L126 HydrophobicContact CB-CD2 3.9Å; F121-L126 HydrophobicContact CB-CG 4.26Å; L126-Y135 HydrophobicContact CB-CE2 4.19Å; L126-Y135 HydrophobicContact CD2-CD1 3.66Å; L126-Y135 HydrophobicContact CD2-CD2 3.7Å; L126-Y135 HydrophobicContact CD2-CE1 3.74Å; L126-Y135 HydrophobicContact CD2-CE2 3.73Å; L126-Y135 HydrophobicContact CD2-CG 3.64Å; L126-I137 HydrophobicContact CD1-CD1 3.84Å; L126-I137 HydrophobicContact CD2-CD1 4.48Å; L126-L143 HydrophobicContact CD1-CD2 3.56Å; L126-L143 HydrophobicContact CD1-CG 4.11Å
127E95.6Very high94.6Very high105 Ų10560.2 Ų60.249%0.49134%0.34SS..PPolyproline II helixtrans-102.5134.3-178.3-67.3169.2-169.100110.4I99 G129 R130 Y135I99-E127 VanDerWaalsContact CB-O 3.29Å; I99-E127 WeakPolarHBondContact CB-O 3.26Å; I99-E127 VanDerWaalsContact CG1-O 3.25Å; I99-E127 WeakPolarHBondContact CG1-O 3.49Å; E127-G129 VanDerWaalsContact C-N 3.32Å; E127-G129 PolarHBondContact O-N 3.08Å; E127-R130 HydrophobicContact CB-CG 4.27Å; E127-R130 PolarHBondContact O-N 3.11Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE1-NH2 2.78Å; E127-R130 IonicContact OE2-CZ 3.26Å; E127-R130 VanDerWaalsContact OE2-CZ 3.27Å; E127-R130 IonicContact OE2-NE 3.53Å; E127-R130 PolarHBondContact OE2-NE 3.31Å; E127-R130 IonicContact OE2-NH2 2.92Å; E127-R130 PolarHBondContact OE2-NH2 3.43Å; E127-Y135 WeakPolarHBondContact CB-OH 3.42Å; E127-Y135 PolarHBondContact N-OH 3.1Å
128D92.7Very high94.6Very high68 Ų6865.7 Ų65.736%0.36437%0.366SS..THydrogen-bonded Turntrans-55.8-42.1-169.6-67-16.1000113.4I99 E100 K103 R130I99-D128 PolarHBondContact N-O 2.73Å; E100-D128 HydrophobicContact CB-CB 4.23Å; E100-D128 PolarHBondContact N-O 2.99Å; E100-D128 VanDerWaalsContact N-O 3.15Å; K103-D128 WeakPolarHBondContact CD-OD1 3.49Å; K103-D128 WeakPolarHBondContact CE-OD1 3.27Å; K103-D128 IonicContact NZ-OD1 3.61Å; K103-D128 PolarHBondContact NZ-OD1 2.93Å; K103-D128 IonicContact NZ-OD2 3.59Å; K103-D128 PolarHBondContact NZ-OD2 3.18Å; D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 3.37Å
129G93.5Very high94.5Very high71 Ų7166 Ų6673%0.73237%0.37SS*.THydrogen-bonded Turntrans-79.8-0.1-177.900000116.1E127E127-G129 VanDerWaalsContact C-N 3.32Å; E127-G129 PolarHBondContact O-N 3.08Å
130R96.1Very high94.3Very high109 Ų10972 Ų7241%0.41140%0.398SS..SBendtrans-97.3156.7175.6-65.1-160.8-159.5-160.10.1111T98 I99 E127 D128 D134 Y135T98-R130 CarbonylContact C-O 3.56Å; T98-R130 WeakPolarHBondContact CA-O 3.18Å; I99-R130 WeakPolarHBondContact CG1-O 3.49Å; I99-R130 PolarHBondContact N-O 2.8Å; E127-R130 HydrophobicContact CB-CG 4.27Å; E127-R130 PolarHBondContact O-N 3.11Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE1-NH2 2.78Å; E127-R130 IonicContact OE2-CZ 3.26Å; E127-R130 VanDerWaalsContact OE2-CZ 3.27Å; E127-R130 IonicContact OE2-NE 3.53Å; E127-R130 PolarHBondContact OE2-NE 3.31Å; E127-R130 IonicContact OE2-NH2 2.92Å; E127-R130 PolarHBondContact OE2-NH2 3.43Å; D128-R130 VanDerWaalsContact C-N 3.31Å; D128-R130 PolarHBondContact O-N 3.37Å; R130-D134 HydrophobicContact CB-CB 4.25Å; R130-Y135 HydrophobicContact CB-CD2 4.29Å; R130-Y135 HydrophobicContact CB-CE2 3.57Å; R130-Y135 WeakPolarHBondContact CD-OH 3.36Å; R130-Y135 HydrophobicContact CG-CE2 4.28Å
131T95.6Very high94.3Very high27 Ų2771 Ų7117%0.16640%0.395CS..BIsolated β-bridgetrans-89163.9177.268.30000112.4S96 D97 T98 S133 D134 Y135S96-T131 WeakPolarHBondContact O-CG2 3.43Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 WeakPolarHBondContact O-CA 3.48Å; T98-T131 HydrophobicContact CG2-CG2 4.47Å; T131-S133 PolarHBondContact O-N 3.32Å; T131-S133 PolarHBondContact OG1-N 3.37Å; T131-S133 PolarHBondContact OG1-OG 3.33Å; T131-D134 PolarHBondContact N-OD2 3.03Å; T131-D134 WeakPolarHBondContact O-CB 3.45Å; T131-D134 PolarHBondContact O-N 2.78Å; T131-D134 PolarHBondContact OG1-N 3.13Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 2.67Å; T131-Y135 WeakPolarHBondContact O-CD2 3.47Å
132L95.7Very high94.3Very high0 Ų071.3 Ų71.30%040%0.4CS..THydrogen-bonded Turntrans-57.2-39169.5-71.6-176.6000111.7M77 I79 V93 P95 D97 I99 V102 D134 Y135 N136 I137M77-L132 HydrophobicContact CE-CD1 4.39Å; I79-L132 HydrophobicContact CD1-CD1 4.24Å; I79-L132 HydrophobicContact CD1-CD2 4.36Å; V93-L132 HydrophobicContact CB-CD1 3.56Å; V93-L132 HydrophobicContact CG1-CD1 4.12Å; V93-L132 HydrophobicContact CG2-CD1 3.43Å; V93-L132 VanDerWaalsContact CG2-CD1 3.43Å; P95-L132 PolarHBondContact O-N 3.06Å; D97-L132 HydrophobicContact CB-CD1 4.29Å; D97-L132 HydrophobicContact CB-CG 4.48Å; D97-L132 PolarHBondContact O-N 3.23Å; I99-L132 HydrophobicContact CD1-CD2 3.91Å; V102-L132 HydrophobicContact CG2-CD1 3.99Å; V102-L132 HydrophobicContact CG2-CD2 3.92Å; V102-L132 HydrophobicContact CG2-CG 3.99Å; L132-D134 PolarHBondContact O-N 3.12Å; L132-Y135 PolarHBondContact O-N 2.87Å; L132-N136 PolarHBondContact O-N 3.18Å; L132-I137 HydrophobicContact CB-CB 4.22Å; L132-I137 HydrophobicContact CD2-CB 4.11Å; L132-I137 HydrophobicContact CD2-CD1 3.55Å; L132-I137 HydrophobicContact CD2-CG1 4.42Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.45Å; L132-I137 PolarHBondContact O-N 2.99Å
133S94.7Very high94.5Very high52 Ų5267.1 Ų67.136%0.36437%0.366SS..G310 helixtrans-63.9-36177.873.60000113.1P95 T131 Y135 N136P95-S133 VanDerWaalsContact O-CB 3.24Å; P95-S133 WeakPolarHBondContact O-CB 3.31Å; P95-S133 PolarHBondContact O-N 3.11Å; P95-S133 PolarHBondContact O-OG 3.31Å; T131-S133 PolarHBondContact O-N 3.32Å; T131-S133 PolarHBondContact OG1-N 3.37Å; T131-S133 PolarHBondContact OG1-OG 3.33Å; S133-Y135 PolarHBondContact O-N 2.76Å; S133-N136 WeakPolarHBondContact O-CA 3.1Å; S133-N136 PolarHBondContact O-N 3.09Å
134D96Very high94.8Very high94 Ų9468.3 Ų68.350%0.50335%0.35SS..G310 helixtrans-61.9-27.1177.2-66-44.8000112.6R130 T131 L132R130-D134 HydrophobicContact CB-CB 4.25Å; T131-D134 PolarHBondContact N-OD2 3.03Å; T131-D134 WeakPolarHBondContact O-CB 3.45Å; T131-D134 PolarHBondContact O-N 2.78Å; T131-D134 PolarHBondContact OG1-N 3.13Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 2.67Å; L132-D134 PolarHBondContact O-N 3.12Å
135Y96.5Very high94.8Very high36 Ų3661.5 Ų61.514%0.14132%0.321CS..G310 helixtrans-96.25.1175.6-69.9-71.4000113.5I99 L126 E127 R130 T131 L132 S133 I137I99-Y135 HydrophobicContact CD1-CD2 4.26Å; I99-Y135 HydrophobicContact CD1-CE2 4.36Å; I99-Y135 HydrophobicContact CG1-CD2 4.4Å; I99-Y135 HydrophobicContact CG1-CE2 4.03Å; L126-Y135 HydrophobicContact CB-CE2 4.19Å; L126-Y135 HydrophobicContact CD2-CD1 3.66Å; L126-Y135 HydrophobicContact CD2-CD2 3.7Å; L126-Y135 HydrophobicContact CD2-CE1 3.74Å; L126-Y135 HydrophobicContact CD2-CE2 3.73Å; L126-Y135 HydrophobicContact CD2-CG 3.64Å; E127-Y135 WeakPolarHBondContact CB-OH 3.42Å; E127-Y135 PolarHBondContact N-OH 3.1Å; R130-Y135 HydrophobicContact CB-CD2 4.29Å; R130-Y135 HydrophobicContact CB-CE2 3.57Å; R130-Y135 WeakPolarHBondContact CD-OH 3.36Å; R130-Y135 HydrophobicContact CG-CE2 4.28Å; T131-Y135 WeakPolarHBondContact O-CD2 3.47Å; L132-Y135 PolarHBondContact O-N 2.87Å; S133-Y135 PolarHBondContact O-N 2.76Å; Y135-I137 PolarHBondContact O-N 2.77Å
136N94.8Very high94.6Very high122 Ų12259.5 Ų59.565%0.65231%0.314SS*.THydrogen-bonded Turntrans5234.2-171.7-65.8-51.8000112.8L132 S133 Q138L132-N136 PolarHBondContact O-N 3.18Å; S133-N136 WeakPolarHBondContact O-CA 3.1Å; S133-N136 PolarHBondContact O-N 3.09Å; N136-Q138 PolarHBondContact O-N 3.09Å
137I94.7Very high94.2Very high1 Ų163.2 Ų63.21%0.00533%0.334CS..PPolyproline II helixtrans-73.2117.9174.1-65.1166.1000106.7M77 I79 F121 L126 L132 Y135 L143M77-I137 WeakPolarHBondContact CE-O 3.42Å; I79-I137 HydrophobicContact CG2-CG2 3.91Å; F121-I137 HydrophobicContact CB-CD1 4.38Å; F121-I137 HydrophobicContact CD1-CD1 4.17Å; F121-I137 HydrophobicContact CD1-CG1 3.64Å; F121-I137 HydrophobicContact CD2-CG1 4.37Å; F121-I137 HydrophobicContact CE1-CG1 3.71Å; F121-I137 HydrophobicContact CE2-CG1 4.45Å; F121-I137 HydrophobicContact CG-CD1 4.2Å; F121-I137 HydrophobicContact CG-CG1 3.99Å; F121-I137 HydrophobicContact CZ-CG1 4.13Å; L126-I137 HydrophobicContact CD1-CD1 3.84Å; L126-I137 HydrophobicContact CD2-CD1 4.48Å; L132-I137 HydrophobicContact CB-CB 4.22Å; L132-I137 HydrophobicContact CD2-CB 4.11Å; L132-I137 HydrophobicContact CD2-CD1 3.55Å; L132-I137 HydrophobicContact CD2-CG1 4.42Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.45Å; L132-I137 PolarHBondContact O-N 2.99Å; Y135-I137 PolarHBondContact O-N 2.77Å; I137-L143 HydrophobicContact CD1-CD1 4.16Å; I137-L143 HydrophobicContact CD1-CD2 4.36Å; I137-L143 HydrophobicContact CD1-CG 4.46Å; I137-L143 HydrophobicContact CG2-CD1 3.92Å
138Q92Very high93.5Very high114 Ų11463.2 Ų63.253%0.53333%0.329SS..PPolyproline II helixtrans-103.8170.8-177.7-61.1-57.7-41.500111N136 E140 S141N136-Q138 PolarHBondContact O-N 3.09Å; Q138-E140 PolarHBondContact O-N 2.83Å; Q138-S141 PolarHBondContact N-OG 3.24Å; Q138-S141 WeakPolarHBondContact O-CB 3.35Å; Q138-S141 PolarHBondContact O-N 2.86Å; Q138-S141 PolarHBondContact O-OG 2.82Å
139K90.1Very high92.2Very high112 Ų11267.9 Ų67.949%0.48735%0.353SS..THydrogen-bonded Turntrans-47.1138.5167.5-176.1175.5-179.5176.50110.9M77 S141M77-K139 HydrophobicContact CG-CB 4.17Å; K139-S141 PolarHBondContact O-N 2.76Å
140E91.6Very high90.6Very high126 Ų12675.6 Ų75.659%0.58936%0.36SS*.THydrogen-bonded Turntrans64.78-177.5-67.3165.8-158.400115.4Q78 F80 Q138Q78-E140 PolarHBondContact O-N 2.91Å; F80-E140 HydrophobicContact CE2-CB 3.96Å; F80-E140 HydrophobicContact CE2-CG 3.98Å; Q138-E140 PolarHBondContact O-N 2.83Å
141S96Very high89.1Confident20 Ų2072.6 Ų72.614%0.1436%0.363CS..  trans-61.7146171.7-65.40000111.3F80 Q138 K139F80-S141 PolarHBondContact N-O 3.01Å; Q138-S141 PolarHBondContact N-OG 3.24Å; Q138-S141 WeakPolarHBondContact O-CB 3.35Å; Q138-S141 PolarHBondContact O-N 2.86Å; Q138-S141 PolarHBondContact O-OG 2.82Å; K139-S141 PolarHBondContact O-N 2.76Å
142T96.1Very high88Confident47 Ų4771.6 Ų71.629%0.28836%0.358SS..EExtended strand (participates in β ladder)trans-111.1118177.2-57.40000111.2F80 K82F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.59Å; F80-T142 VanDerWaalsContact O-CA 3.27Å; F80-T142 WeakPolarHBondContact O-CA 3.24Å; K82-T142 HydrophobicContact CB-CG2 4.26Å; K82-T142 HydrophobicContact CD-CG2 3.8Å; K82-T142 HydrophobicContact CG-CG2 3.72Å
143L97.2Very high87.6Confident0 Ų072.8 Ų72.80%036%0.364CS..EExtended strand (participates in β ladder)trans-91.4157.1169.7-75.461.7000109.3I79 F80 V81 K82 L119 F121 L126 I137I79-L143 HydrophobicContact CD1-CD1 4.12Å; I79-L143 HydrophobicContact CD1-CD2 4.21Å; F80-L143 PolarHBondContact O-N 3.47Å; V81-L143 CarbonylContact C-O 3.49Å; V81-L143 WeakPolarHBondContact CA-O 3.28Å; V81-L143 HydrophobicContact CG2-CB 4.34Å; K82-L143 PolarHBondContact N-O 3.29Å; L119-L143 HydrophobicContact CB-CD2 4.47Å; L119-L143 HydrophobicContact CD1-CD2 4.33Å; F121-L143 HydrophobicContact CB-CG 4.31Å; F121-L143 HydrophobicContact CD2-CD1 4.08Å; F121-L143 HydrophobicContact CD2-CG 4.41Å; L126-L143 HydrophobicContact CD1-CD2 3.56Å; L126-L143 HydrophobicContact CD1-CG 4.11Å; I137-L143 HydrophobicContact CD1-CD1 4.16Å; I137-L143 HydrophobicContact CD1-CD2 4.36Å; I137-L143 HydrophobicContact CD1-CG 4.46Å; I137-L143 HydrophobicContact CG2-CD1 3.92Å
144H97.1Very high87.4Confident100 Ų10073.3 Ų73.346%0.46336%0.36SS..EExtended strand (participates in β ladder)trans-109.6130.6171.9-6674.3000109.3K82 L119 I120K82-H144 CarbonylContact O-C 3.46Å; K82-H144 WeakPolarHBondContact O-CA 3.36Å; L119-H144 WeakPolarHBondContact CA-O 3.22Å; I120-H144 HydrophobicContact CB-CB 4.3Å; I120-H144 PolarHBondContact N-O 2.71Å; I120-H144 PolarHBondContact O-N 2.98Å
145L94.5Very high87.4Confident4 Ų468.8 Ų68.82%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-100.8122.4175175.463.5000109.8V81 K82 T83 I106 I112 Q117 L119 L147V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.47Å; K82-L145 PolarHBondContact O-N 3.31Å; T83-L145 HydrophobicContact CG2-CD2 4.39Å; I106-L145 HydrophobicContact CG2-CD2 4.09Å; I112-L145 HydrophobicContact CD1-CD2 4.11Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.94Å; L119-L145 HydrophobicContact CD2-CB 4.18Å; L119-L145 HydrophobicContact CD2-CD1 3.85Å; L145-L147 HydrophobicContact CD1-CD2 4.29Å; L145-L147 HydrophobicContact CD2-CD2 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.15Å
146V90.8Very high87.4Confident38 Ų3869.7 Ų69.723%0.2334%0.341CS..EExtended strand (participates in β ladder)trans-115128.2170.9177.10000108.4L84 R118 I120L84-V146 HydrophobicContact CD1-CG1 4.21Å; L84-V146 HydrophobicContact CD1-CG2 4.43Å; L84-V146 HydrophobicContact CD2-CG2 4.14Å; L84-V146 HydrophobicContact CG-CG2 4.34Å; R118-V146 WeakPolarHBondContact CA-O 3.49Å; R118-V146 HydrophobicContact CB-CB 4.23Å; R118-V146 WeakPolarHBondContact CB-O 3.27Å; R118-V146 PolarHBondContact N-O 2.91Å; R118-V146 PolarHBondContact O-N 3.34Å; I120-V146 HydrophobicContact CD1-CB 4.44Å; I120-V146 HydrophobicContact CD1-CG2 3.73Å
147L87.6Confident87.5Confident82 Ų8263.9 Ų63.943%0.42931%0.31SS..EExtended strand (participates in β ladder)trans-83.9132.3177.7-58-177.3000111I112 L145 L149I112-L147 HydrophobicContact CD1-CD1 4.5Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD2 3.57Å; L145-L147 HydrophobicContact CD1-CD2 4.29Å; L145-L147 HydrophobicContact CD2-CD2 4.19Å; L145-L147 HydrophobicContact CG-CD2 4.15Å; L147-L149 PolarHBondContact O-N 2.8Å
148R80Confident87.5Confident105 Ų10568.1 Ų68.140%0.39633%0.328SS..  trans-80.3112.6171.3-64.7176.3175.3171.1-3.7108.8D115 Q116 R150D115-R148 WeakPolarHBondContact O-CD 3.3Å; D115-R148 PolarHBondContact O-NH1 2.94Å; Q116-R148 PolarHBondContact O-N 2.87Å; R148-R150 VanDerWaalsContact C-N 3.27Å; R148-R150 PolarHBondContact O-N 2.76Å
149L66Low87.4Confident165 Ų16563.9 Ų63.986%0.86431%0.311SS*.THydrogen-bonded Turntrans-67.8-14.1-174.7-70.5170000115.8L147L147-L149 PolarHBondContact O-N 2.8Å
150R60.6Low87Confident234 Ų23465.2 Ų65.288%0.88332%0.322SS*.THydrogen-bonded Turntrans-144.821.7-167.1-62.8-170.9-174.3-179.91.8115.7R148R148-R150 VanDerWaalsContact C-N 3.27Å; R148-R150 PolarHBondContact O-N 2.76Å
151G63.4Low86.5Confident46 Ų4664.7 Ų64.747%0.47433%0.328SS..  trans-99-27.1-17100000116.3
152G73.6Confident85.9Confident5 Ų566.2 Ų66.25%0.05235%0.347CS..SBendtrans-68.6151.4-166.200000114.9D115 Q154D115-G152 WeakPolarHBondContact OD2-CA 3.14Å; G152-Q154 PolarHBondContact O-N 2.93Å
153M87.2Confident85.4Confident25 Ų2568.9 Ų68.912%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-71.6114.4161.3170.1170.3160.800108.3I155 V169 P171 L208 I213 K215M153-I155 HydrophobicContact CE-CG2 4.13Å; M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.19Å; M153-V169 HydrophobicContact CG-CG2 4.08Å; M153-V169 PolarHBondContact O-N 3.12Å; M153-P171 HydrophobicContact SD-CG 3.81Å; M153-L208 HydrophobicContact CE-CD1 4.39Å; M153-I213 WeakPolarHBondContact CE-O 3.32Å; M153-K215 HydrophobicContact CG-CB 4.16Å; M153-K215 HydrophobicContact CG-CG 4.44Å
154Q90.4Very high85.1Confident63 Ų6371.9 Ų71.929%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-100.6142.3174-72.2176.52000110G152 T166 L167 E168 E216G152-Q154 PolarHBondContact O-N 2.93Å; Q154-T166 HydrophobicContact CB-CG2 4.24Å; Q154-T166 HydrophobicContact CG-CG2 4.18Å; Q154-L167 CarbonylContact C-O 3.59Å; Q154-L167 VanDerWaalsContact CA-O 3.28Å; Q154-L167 WeakPolarHBondContact CA-O 3.21Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.46Å; Q154-E168 VanDerWaalsContact CG-OE2 3.29Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.21Å; Q154-E168 PolarHBondContact NE2-OE1 2.81Å; Q154-E216 PolarHBondContact O-N 3.34Å
155I94.8Very high84.8Confident0 Ų067.5 Ų67.50%035%0.353CS..EExtended strand (participates in β ladder)trans-121.7162.4163.963.9171.2000109.5M153 L167 V169 V178 L208 I213 L219M153-I155 HydrophobicContact CE-CG2 4.13Å; I155-L167 HydrophobicContact CG1-CB 4.01Å; I155-L167 PolarHBondContact N-O 2.81Å; I155-L167 PolarHBondContact O-N 3.03Å; I155-V169 HydrophobicContact CB-CG2 4.26Å; I155-V169 HydrophobicContact CD1-CG1 3.9Å; I155-V169 HydrophobicContact CD1-CG2 4.09Å; I155-V169 HydrophobicContact CG1-CG1 3.9Å; I155-V169 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CG2-CG2 3.69Å; I155-V178 HydrophobicContact CD1-CG1 4.21Å; I155-L208 HydrophobicContact CD1-CD1 4.23Å; I155-L208 HydrophobicContact CD1-CD2 4.36Å; I155-I213 HydrophobicContact CG2-CG2 3.9Å; I155-L219 HydrophobicContact CD1-CD1 4.11Å; I155-L219 HydrophobicContact CD1-CD2 4.17Å
156F97Very high84.8Confident55 Ų5569.8 Ų69.824%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-112.3139.9176.9-56.2-70.6000109.9T164 I165 T166 E216 S217 T218 L219F156-T164 HydrophobicContact CB-CG2 3.82Å; F156-T164 HydrophobicContact CD1-CG2 4.07Å; F156-T164 HydrophobicContact CG-CG2 4.27Å; F156-I165 CarbonylContact C-O 3.46Å; F156-I165 WeakPolarHBondContact CA-O 3.34Å; F156-T166 HydrophobicContact CD1-CG2 4.28Å; F156-T166 HydrophobicContact CE1-CG2 3.99Å; F156-E216 WeakPolarHBondContact CD2-O 3.28Å; F156-E216 HydrophobicContact CE2-CB 3.89Å; F156-E216 HydrophobicContact CE2-CG 3.99Å; F156-E216 HydrophobicContact CZ-CG 4.49Å; F156-S217 PolarHBondContact N-O 3.36Å; F156-T218 HydrophobicContact CB-CG2 4.3Å; F156-T218 CarbonylContact O-C 3.46Å; F156-T218 VanDerWaalsContact O-CA 3.27Å; F156-T218 WeakPolarHBondContact O-CA 3.29Å; F156-L219 PolarHBondContact O-N 2.76Å
157V96.9Very high84.8Confident0 Ų068 Ų680%036%0.356CS..EExtended strand (participates in β ladder)trans-119.6112.3174.3-178.60000108.3T164 I165 L167 I182 L195 L219 L221V157-T164 WeakPolarHBondContact O-CA 3.31Å; V157-I165 HydrophobicContact CB-CB 4.29Å; V157-I165 PolarHBondContact N-O 2.74Å; V157-I165 PolarHBondContact O-N 2.86Å; V157-L167 HydrophobicContact CG2-CD1 3.51Å; V157-L167 HydrophobicContact CG2-CG 4.15Å; V157-I182 HydrophobicContact CG1-CD1 4.19Å; V157-I182 HydrophobicContact CG2-CD1 4.19Å; V157-L195 HydrophobicContact CG1-CD2 4.1Å; V157-L219 CarbonylContact C-O 3.53Å; V157-L219 WeakPolarHBondContact CA-O 3.26Å; V157-L219 HydrophobicContact CG2-CB 4.33Å; V157-L221 HydrophobicContact CG1-CB 3.54Å; V157-L221 HydrophobicContact CG1-CD2 4.41Å
158K94.7Very high84.9Confident89 Ų8966.6 Ų66.639%0.38735%0.347SS..EExtended strand (participates in β ladder)trans-90.6122.5176.4-78.1-174.5-178.8-179.30110.6T164 T218 L219 H220 L221K158-T164 HydrophobicContact CG-CG2 4.24Å; K158-T218 HydrophobicContact CB-CG2 4.23Å; K158-T218 HydrophobicContact CD-CG2 3.76Å; K158-T218 HydrophobicContact CG-CG2 3.71Å; K158-L219 PolarHBondContact N-O 2.68Å; K158-H220 CarbonylContact O-C 3.55Å; K158-H220 WeakPolarHBondContact O-CA 3.45Å; K158-L221 PolarHBondContact O-N 3.16Å
159T89.3Confident85.3Confident26 Ų2661.7 Ų61.716%0.1633%0.329CS..EExtended strand (participates in β ladder)trans-76.6162.8170.665.20000111.1T161 G162 K163 I165 L221T159-T161 PolarHBondContact O-N 2.89Å; T159-T161 PolarHBondContact OG1-OG1 2.91Å; T159-G162 PolarHBondContact O-N 2.89Å; T159-K163 HydrophobicContact CG2-CB 4.35Å; T159-K163 PolarHBondContact N-O 3.07Å; T159-K163 WeakPolarHBondContact OG1-CB 3.35Å; T159-K163 PolarHBondContact OG1-N 3.05Å; T159-K163 VanDerWaalsContact OG1-N 3.09Å; T159-K163 PolarHBondContact OG1-O 3.2Å; T159-I165 HydrophobicContact CG2-CD1 3.82Å; T159-L221 HydrophobicContact CG2-CD2 4.46Å
160L82.5Confident86.5Confident139 Ų13955.6 Ų55.673%0.72830%0.296SS*.THydrogen-bonded Turntrans-61.6-22173.1-70.2177.2000113.8G162 V222L160-G162 VanDerWaalsContact C-N 3.26Å; L160-V222 HydrophobicContact CD1-CG1 4.24Å; L160-V222 HydrophobicContact CD1-CG2 4.45Å; L160-V222 HydrophobicContact CD2-CG2 4.17Å; L160-V222 HydrophobicContact CG-CG2 4.38Å
161T80.5Confident87.9Confident115 Ų11547.6 Ų47.671%0.70628%0.275SS*.THydrogen-bonded Turntrans-80.9-9.4176.862.70000112.6T159T159-T161 PolarHBondContact O-N 2.89Å; T159-T161 PolarHBondContact OG1-OG1 2.91Å
162G83Confident89.2Confident53 Ų5348.9 Ų48.955%0.54628%0.276SS..SBendtrans94.7-8-176.700000114.3T159 L160 T164T159-G162 PolarHBondContact O-N 2.89Å; L160-G162 VanDerWaalsContact C-N 3.26Å; G162-T164 PolarHBondContact O-N 2.88Å
163K87.3Confident90.1Very high102 Ų10248.9 Ų48.944%0.44328%0.275SS..  trans-61.1131.8172.4-176.8-177.6175.3-1690109.3T159 E186T159-K163 HydrophobicContact CG2-CB 4.35Å; T159-K163 PolarHBondContact N-O 3.07Å; T159-K163 WeakPolarHBondContact OG1-CB 3.35Å; T159-K163 PolarHBondContact OG1-N 3.05Å; T159-K163 VanDerWaalsContact OG1-N 3.09Å; T159-K163 PolarHBondContact OG1-O 3.2Å; K163-E186 WeakPolarHBondContact CE-OE1 3.47Å; K163-E186 IonicContact NZ-OE1 2.71Å; K163-E186 PolarHBondContact NZ-OE1 3.3Å; K163-E186 IonicContact NZ-OE2 3.31Å; K163-E186 PolarHBondContact NZ-OE2 2.74Å
164T90.8Very high90.6Very high64 Ų6449.2 Ų49.239%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-106.5123.6176.3-55.80000108.9F156 V157 K158 G162F156-T164 HydrophobicContact CB-CG2 3.82Å; F156-T164 HydrophobicContact CD1-CG2 4.07Å; F156-T164 HydrophobicContact CG-CG2 4.27Å; V157-T164 WeakPolarHBondContact O-CA 3.31Å; K158-T164 HydrophobicContact CG-CG2 4.24Å; G162-T164 PolarHBondContact O-N 2.88Å
165I91.1Very high90.9Very high7 Ų746.2 Ų46.24%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-102.6127.8178.1-55.2152.1000107.4F156 V157 T159 L167 K185 E186F156-I165 CarbonylContact C-O 3.46Å; F156-I165 WeakPolarHBondContact CA-O 3.34Å; V157-I165 HydrophobicContact CB-CB 4.29Å; V157-I165 PolarHBondContact N-O 2.74Å; V157-I165 PolarHBondContact O-N 2.86Å; T159-I165 HydrophobicContact CG2-CD1 3.82Å; I165-L167 HydrophobicContact CG2-CD2 3.89Å; I165-L167 HydrophobicContact CG2-CG 4.37Å; I165-K185 HydrophobicContact CG2-CD 4.24Å; I165-E186 HydrophobicContact CD1-CG 3.61Å; I165-E186 HydrophobicContact CG1-CG 4.07Å; I165-E186 HydrophobicContact CG2-CG 4.48Å
166T92.7Very high90.9Very high53 Ų5351.8 Ų51.833%0.32529%0.291SS..EExtended strand (participates in β ladder)trans-92.1126.8174.2-53.70000109.4Q154 F156 K185Q154-T166 HydrophobicContact CB-CG2 4.24Å; Q154-T166 HydrophobicContact CG-CG2 4.18Å; F156-T166 HydrophobicContact CD1-CG2 4.28Å; F156-T166 HydrophobicContact CE1-CG2 3.99Å; T166-K185 PolarHBondContact O-NZ 3.43Å
167L91.3Very high90.7Very high1 Ų152.5 Ų52.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-117.7136.2177.1-58.9178.4000110.4Q154 I155 V157 I165 V169 V178 K181 I182 K185Q154-L167 CarbonylContact C-O 3.59Å; Q154-L167 VanDerWaalsContact CA-O 3.28Å; Q154-L167 WeakPolarHBondContact CA-O 3.21Å; I155-L167 HydrophobicContact CG1-CB 4.01Å; I155-L167 PolarHBondContact N-O 2.81Å; I155-L167 PolarHBondContact O-N 3.03Å; V157-L167 HydrophobicContact CG2-CD1 3.51Å; V157-L167 HydrophobicContact CG2-CG 4.15Å; I165-L167 HydrophobicContact CG2-CD2 3.89Å; I165-L167 HydrophobicContact CG2-CG 4.37Å; L167-V169 HydrophobicContact CB-CG1 3.99Å; L167-V178 HydrophobicContact CD1-CG1 3.83Å; L167-K181 HydrophobicContact CD2-CB 4.34Å; L167-I182 HydrophobicContact CD1-CD1 4.03Å; L167-I182 HydrophobicContact CD1-CG1 3.53Å; L167-I182 HydrophobicContact CD2-CG1 4.28Å; L167-I182 HydrophobicContact CG-CG1 4.47Å; L167-K185 HydrophobicContact CD2-CD 3.9Å
168E89.1Confident90.6Very high51 Ų5152.5 Ų52.524%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-87.5122.7167.5-61.8-65.8161.800108.3P113 Q116 Q154 K181P113-E168 HydrophobicContact CG-CB 4.38Å; Q116-E168 PolarHBondContact NE2-OE2 3.02Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.46Å; Q154-E168 VanDerWaalsContact CG-OE2 3.29Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.21Å; Q154-E168 PolarHBondContact NE2-OE1 2.81Å; E168-K181 PolarHBondContact O-NZ 3.48Å
169V90.4Very high90.6Very high3 Ų348.7 Ų48.72%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-141.7160.1-171.4-61.80000111.3M153 I155 L167 D173 V178 K181 L208M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.19Å; M153-V169 HydrophobicContact CG-CG2 4.08Å; M153-V169 PolarHBondContact O-N 3.12Å; I155-V169 HydrophobicContact CB-CG2 4.26Å; I155-V169 HydrophobicContact CD1-CG1 3.9Å; I155-V169 HydrophobicContact CD1-CG2 4.09Å; I155-V169 HydrophobicContact CG1-CG1 3.9Å; I155-V169 HydrophobicContact CG1-CG2 3.8Å; I155-V169 HydrophobicContact CG2-CG2 3.69Å; L167-V169 HydrophobicContact CB-CG1 3.99Å; V169-D173 VanDerWaalsContact CA-OD2 3.25Å; V169-D173 WeakPolarHBondContact CA-OD2 3.47Å; V169-V178 HydrophobicContact CG1-CG2 4.29Å; V169-K181 HydrophobicContact CG1-CD 4.12Å; V169-L208 HydrophobicContact CB-CD1 3.55Å; V169-L208 HydrophobicContact CG1-CD1 4.09Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å
170E89.1Confident90.7Very high36 Ų3649.1 Ų49.117%0.16829%0.287CS..  trans-109.9152.4169.8-62.9-169.5158.900110.8P114 S172 D173P114-E170 VanDerWaalsContact CD-OE1 3.27Å; P114-E170 WeakPolarHBondContact CD-OE1 3.5Å; E170-S172 PolarHBondContact O-N 3.25Å; E170-S172 VanDerWaalsContact O-N 3.13Å; E170-D173 PolarHBondContact N-OD2 2.95Å; E170-D173 VanDerWaalsContact O-CB 3.29Å; E170-D173 WeakPolarHBondContact O-CB 3.44Å; E170-D173 PolarHBondContact O-N 3.47Å
171P91.4Very high91.2Very high67 Ų6744.3 Ų44.344%0.43526%0.26SS..THydrogen-bonded Turntrans-55.9-29.7175.4-24.633.1000113.7M153 D173 S209M153-P171 HydrophobicContact SD-CG 3.81Å; P171-D173 VanDerWaalsContact C-N 3.34Å; P171-S209 WeakPolarHBondContact O-CB 3.1Å; P171-S209 PolarHBondContact O-N 2.93Å; P171-S209 PolarHBondContact O-OG 2.86Å
172S90.9Very high91.8Very high72 Ų7238.9 Ų38.950%0.50323%0.226SC..THydrogen-bonded Turntrans-76.6-14.217641.50000113.9E170 T174 T207E170-S172 PolarHBondContact O-N 3.25Å; E170-S172 VanDerWaalsContact O-N 3.13Å; S172-T174 PolarHBondContact O-N 3.26Å; S172-T207 WeakPolarHBondContact O-CG2 3.47Å
173D92.9Very high92.2Very high5 Ų538.1 Ų38.13%0.02721%0.209CC..  trans-59.7129.2179.4-85.3-32.7000110.1V169 E170 P171 N177 V178 K181 T207 L208V169-D173 VanDerWaalsContact CA-OD2 3.25Å; V169-D173 WeakPolarHBondContact CA-OD2 3.47Å; E170-D173 PolarHBondContact N-OD2 2.95Å; E170-D173 VanDerWaalsContact O-CB 3.29Å; E170-D173 WeakPolarHBondContact O-CB 3.44Å; E170-D173 PolarHBondContact O-N 3.47Å; P171-D173 VanDerWaalsContact C-N 3.34Å; D173-N177 HydrophobicContact CB-CB 4.17Å; D173-N177 PolarHBondContact OD1-ND2 2.83Å; D173-V178 HydrophobicContact CB-CG2 4.37Å; D173-K181 VanDerWaalsContact OD2-CE 3.25Å; D173-K181 WeakPolarHBondContact OD2-CE 3.19Å; D173-K181 IonicContact OD2-NZ 2.66Å; D173-T207 CarbonylContact O-C 3.58Å; D173-T207 WeakPolarHBondContact O-CA 3.43Å; D173-L208 HydrophobicContact CB-CD1 4.27Å; D173-L208 HydrophobicContact CB-CG 4.47Å; D173-L208 PolarHBondContact O-N 3.41Å
174T95.9Very high92Very high32 Ų3239.5 Ų39.520%0.19622%0.221CC..BIsolated β-bridgetrans-70.3159.4170.464.70000110.4S172 E176 N177 V178 R206 T207S172-T174 PolarHBondContact O-N 3.26Å; T174-E176 PolarHBondContact O-N 2.7Å; T174-N177 WeakPolarHBondContact O-CB 3.22Å; T174-N177 PolarHBondContact O-N 3.21Å; T174-N177 VanDerWaalsContact O-N 3.07Å; T174-N177 PolarHBondContact OG1-N 3.44Å; T174-N177 PolarHBondContact OG1-OD1 2.92Å; T174-N177 VanDerWaalsContact OG1-OD1 3.04Å; T174-V178 WeakPolarHBondContact O-CG2 3.1Å; T174-V178 PolarHBondContact O-N 2.93Å; T174-R206 CarbonylContact C-O 3.59Å; T174-R206 VanDerWaalsContact CA-O 3.24Å; T174-R206 WeakPolarHBondContact CA-O 3.27Å; T174-T207 HydrophobicContact CG2-CG2 4.47Å
175I97Very high91.9Very high0 Ų042.1 Ų42.10%023%0.227CC..Hα-helixtrans-62.5-31173.2-61-57.4000111V178 K179 L195 L202 E203 D204 R206 L208 Y211I175-V178 PolarHBondContact O-N 3.26Å; I175-K179 VanDerWaalsContact O-CG 3.31Å; I175-K179 WeakPolarHBondContact O-CG 3.48Å; I175-K179 PolarHBondContact O-N 3.24Å; I175-L195 HydrophobicContact CG2-CD1 4.16Å; I175-L202 HydrophobicContact CD1-CB 3.85Å; I175-L202 HydrophobicContact CD1-CD1 3.63Å; I175-L202 HydrophobicContact CD1-CG 4.3Å; I175-L202 HydrophobicContact CG1-CB 3.83Å; I175-L202 HydrophobicContact CG2-CB 3.91Å; I175-E203 VanDerWaalsContact CB-O 3.3Å; I175-E203 WeakPolarHBondContact CB-O 3.49Å; I175-E203 VanDerWaalsContact CG1-O 3.26Å; I175-E203 WeakPolarHBondContact CG1-O 3.27Å; I175-D204 PolarHBondContact N-O 3.04Å; I175-R206 WeakPolarHBondContact CG1-O 3.48Å; I175-R206 PolarHBondContact N-O 3.3Å; I175-L208 HydrophobicContact CD1-CD2 3.95Å; I175-Y211 HydrophobicContact CD1-CD2 4.24Å; I175-Y211 HydrophobicContact CD1-CE2 4.34Å; I175-Y211 HydrophobicContact CG1-CD2 4.37Å; I175-Y211 HydrophobicContact CG1-CE2 4Å
176E94.9Very high91.8Very high117 Ų11744.7 Ų44.755%0.54724%0.239SC..Hα-helixtrans-59.5-46.9169.2-169.4171.6-167.700112.2T174 V178 K179 A180 D204T174-E176 PolarHBondContact O-N 2.7Å; E176-V178 VanDerWaalsContact C-N 3.3Å; E176-V178 PolarHBondContact O-N 3.01Å; E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 3.38Å; E176-K179 VanDerWaalsContact O-N 3.11Å; E176-A180 PolarHBondContact O-N 2.91Å; E176-D204 HydrophobicContact CB-CB 4.23Å; E176-D204 PolarHBondContact N-O 2.99Å; E176-D204 VanDerWaalsContact N-O 3.13Å
177N92.7Very high91.4Very high71 Ų7144.9 Ų44.938%0.3825%0.252SS..Hα-helixtrans-59-42.7174.7-65.5-1.9000111.5D173 T174 K179 A180 K181D173-N177 HydrophobicContact CB-CB 4.17Å; D173-N177 PolarHBondContact OD1-ND2 2.83Å; T174-N177 WeakPolarHBondContact O-CB 3.22Å; T174-N177 PolarHBondContact O-N 3.21Å; T174-N177 VanDerWaalsContact O-N 3.07Å; T174-N177 PolarHBondContact OG1-N 3.44Å; T174-N177 PolarHBondContact OG1-OD1 2.92Å; T174-N177 VanDerWaalsContact OG1-OD1 3.04Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.22Å; N177-A180 PolarHBondContact O-N 3.24Å; N177-K181 WeakPolarHBondContact O-CG 3.29Å; N177-K181 PolarHBondContact O-N 3.05Å
178V95.5Very high91.1Very high0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-62.8-39.8177.5178.10000110.8I155 L167 V169 D173 T174 I175 E176 K181 I182 L195 L208I155-V178 HydrophobicContact CD1-CG1 4.21Å; L167-V178 HydrophobicContact CD1-CG1 3.83Å; V169-V178 HydrophobicContact CG1-CG2 4.29Å; D173-V178 HydrophobicContact CB-CG2 4.37Å; T174-V178 WeakPolarHBondContact O-CG2 3.1Å; T174-V178 PolarHBondContact O-N 2.93Å; I175-V178 PolarHBondContact O-N 3.26Å; E176-V178 VanDerWaalsContact C-N 3.3Å; E176-V178 PolarHBondContact O-N 3.01Å; V178-K181 PolarHBondContact O-N 2.85Å; V178-I182 HydrophobicContact CG1-CD1 4.23Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 2.66Å; V178-L195 HydrophobicContact CB-CD1 4.28Å; V178-L195 HydrophobicContact CG1-CD1 3.74Å; V178-L208 HydrophobicContact CG2-CD1 4.03Å; V178-L208 HydrophobicContact CG2-CD2 3.93Å; V178-L208 HydrophobicContact CG2-CG 4.04Å
179K95Very high90.9Very high9 Ų944.1 Ų44.14%0.03925%0.249CC..Hα-helixtrans-65.9-42.7175.8-73.6171.2162.8-1660112.3I175 E176 N177 K181 I182 Q183 P190 Q193 L195 D204I175-K179 VanDerWaalsContact O-CG 3.31Å; I175-K179 WeakPolarHBondContact O-CG 3.48Å; I175-K179 PolarHBondContact O-N 3.24Å; E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 3.38Å; E176-K179 VanDerWaalsContact O-N 3.11Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.22Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 2.97Å; K179-I182 WeakPolarHBondContact O-CB 3.47Å; K179-I182 PolarHBondContact O-N 2.69Å; K179-I182 VanDerWaalsContact O-N 3.12Å; K179-Q183 PolarHBondContact O-N 2.89Å; K179-P190 HydrophobicContact CB-CB 3.81Å; K179-P190 HydrophobicContact CB-CG 4.23Å; K179-P190 HydrophobicContact CD-CB 4.21Å; K179-P190 WeakPolarHBondContact CD-O 3.3Å; K179-P190 WeakPolarHBondContact CE-O 3.26Å; K179-P190 PolarHBondContact NZ-O 3.3Å; K179-P190 VanDerWaalsContact NZ-O 3.16Å; K179-Q193 VanDerWaalsContact CA-OE1 3.24Å; K179-Q193 HydrophobicContact CD-CB 4.42Å; K179-Q193 VanDerWaalsContact CE-O 3.23Å; K179-Q193 WeakPolarHBondContact CE-O 3.47Å; K179-Q193 HydrophobicContact CG-CB 4.07Å; K179-Q193 PolarHBondContact NZ-O 2.89Å; K179-Q193 PolarHBondContact O-NE2 3.22Å; K179-Q193 PolarHBondContact O-OE1 3.09Å; K179-L195 HydrophobicContact CG-CD1 3.93Å; K179-L195 HydrophobicContact CG-CG 4.47Å; K179-D204 WeakPolarHBondContact CD-OD1 3.42Å; K179-D204 WeakPolarHBondContact CE-OD1 3.22Å; K179-D204 VanDerWaalsContact NZ-CG 3.34Å; K179-D204 IonicContact NZ-OD1 3.85Å; K179-D204 PolarHBondContact NZ-OD1 3.22Å; K179-D204 IonicContact NZ-OD2 3.78Å; K179-D204 PolarHBondContact NZ-OD2 3.45Å
180A91.4Very high90.9Very high35 Ų3544.9 Ų44.929%0.28925%0.254SS..Hα-helixtrans-57.7-45.8172.900000110.8E176 N177 I182 Q183 D184E176-A180 PolarHBondContact O-N 2.91Å; N177-A180 PolarHBondContact O-N 3.24Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 2.85Å; A180-Q183 CarbonylContact O-C 3.57Å; A180-Q183 WeakPolarHBondContact O-CA 3.48Å; A180-Q183 VanDerWaalsContact O-CB 3.27Å; A180-Q183 WeakPolarHBondContact O-CB 3.48Å; A180-Q183 PolarHBondContact O-N 2.92Å; A180-D184 VanDerWaalsContact O-CG 3.27Å; A180-D184 PolarHBondContact O-N 2.92Å
181K92.7Very high90.6Very high38 Ų3845.5 Ų45.517%0.16526%0.259CS..Hα-helixtrans-60.1-33175.2-69.4166.5-176.3-87.70113.5L167 E168 V169 D173 N177 V178 K179 K185L167-K181 HydrophobicContact CD2-CB 4.34Å; E168-K181 PolarHBondContact O-NZ 3.48Å; V169-K181 HydrophobicContact CG1-CD 4.12Å; D173-K181 VanDerWaalsContact OD2-CE 3.25Å; D173-K181 WeakPolarHBondContact OD2-CE 3.19Å; D173-K181 IonicContact OD2-NZ 2.66Å; N177-K181 WeakPolarHBondContact O-CG 3.29Å; N177-K181 PolarHBondContact O-N 3.05Å; V178-K181 PolarHBondContact O-N 2.85Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 2.97Å; K181-K185 WeakPolarHBondContact O-CG 3.41Å; K181-K185 PolarHBondContact O-N 3.49Å
182I93.2Very high90.5Very high0 Ų043.9 Ų43.90%025%0.245CC..Hα-helixtrans-72.4-39.5173.6-67.1162.3000110.5V157 L167 V178 K179 A180 D184 K185 E186 Q193 L195 L221V157-I182 HydrophobicContact CG1-CD1 4.19Å; V157-I182 HydrophobicContact CG2-CD1 4.19Å; L167-I182 HydrophobicContact CD1-CD1 4.03Å; L167-I182 HydrophobicContact CD1-CG1 3.53Å; L167-I182 HydrophobicContact CD2-CG1 4.28Å; L167-I182 HydrophobicContact CG-CG1 4.47Å; V178-I182 HydrophobicContact CG1-CD1 4.23Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 2.66Å; K179-I182 WeakPolarHBondContact O-CB 3.47Å; K179-I182 PolarHBondContact O-N 2.69Å; K179-I182 VanDerWaalsContact O-N 3.12Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 2.85Å; I182-D184 VanDerWaalsContact C-N 3.33Å; I182-K185 PolarHBondContact O-N 2.8Å; I182-E186 HydrophobicContact CG2-CB 4.46Å; I182-E186 WeakPolarHBondContact O-CB 3.42Å; I182-E186 PolarHBondContact O-N 2.8Å; I182-Q193 VanDerWaalsContact CB-OE1 3.29Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.22Å; I182-Q193 HydrophobicContact CG2-CG 4.47Å; I182-L195 HydrophobicContact CD1-CD1 4.03Å; I182-L195 HydrophobicContact CD1-CD2 3.7Å; I182-L195 HydrophobicContact CD1-CG 4.37Å; I182-L221 HydrophobicContact CG2-CD2 4.09Å
183Q90.2Very high90.6Very high38 Ų3840.4 Ų40.418%0.17822%0.221CC..Hα-helixtrans-60-46.2175-176.8-177.210.900110.8K179 A180 K185 G187 I188 P190K179-Q183 PolarHBondContact O-N 2.89Å; A180-Q183 CarbonylContact O-C 3.57Å; A180-Q183 WeakPolarHBondContact O-CA 3.48Å; A180-Q183 VanDerWaalsContact O-CB 3.27Å; A180-Q183 WeakPolarHBondContact O-CB 3.48Å; A180-Q183 PolarHBondContact O-N 2.92Å; Q183-K185 PolarHBondContact O-N 2.93Å; Q183-G187 WeakPolarHBondContact O-CA 3.5Å; Q183-G187 PolarHBondContact O-N 3.28Å; Q183-I188 VanDerWaalsContact CA-O 3.24Å; Q183-I188 WeakPolarHBondContact CA-O 3.2Å; Q183-I188 WeakPolarHBondContact CB-O 3.26Å; Q183-I188 WeakPolarHBondContact CG-O 3.36Å; Q183-P190 VanDerWaalsContact CD-CD 3.48Å
184D84Confident90.6Very high130 Ų13045 Ų4570%0.69524%0.238SC*.Hα-helixtrans-61.9-33.8179.2-62.4-25.5000112.1A180 I182A180-D184 VanDerWaalsContact O-CG 3.27Å; A180-D184 PolarHBondContact O-N 2.92Å; I182-D184 VanDerWaalsContact C-N 3.33Å
185K88.1Confident90.6Very high119 Ų11943.5 Ų43.552%0.51723%0.229SC..Hα-helixtrans-87.3-35-179.3-74.6-156.9179.1-162.10115I165 T166 L167 K181 I182 Q183I165-K185 HydrophobicContact CG2-CD 4.24Å; T166-K185 PolarHBondContact O-NZ 3.43Å; L167-K185 HydrophobicContact CD2-CD 3.9Å; K181-K185 WeakPolarHBondContact O-CG 3.41Å; K181-K185 PolarHBondContact O-N 3.49Å; I182-K185 PolarHBondContact O-N 2.8Å; Q183-K185 PolarHBondContact O-N 2.93Å
186E88.7Confident90.6Very high61 Ų6145.3 Ų45.329%0.28524%0.238SC..Hα-helixtrans-122-3.1-168.5-60.7-73.1138.600112.9K163 I165 I182 I188K163-E186 WeakPolarHBondContact CE-OE1 3.47Å; K163-E186 IonicContact NZ-OE1 2.71Å; K163-E186 PolarHBondContact NZ-OE1 3.3Å; K163-E186 IonicContact NZ-OE2 3.31Å; K163-E186 PolarHBondContact NZ-OE2 2.74Å; I165-E186 HydrophobicContact CD1-CG 3.61Å; I165-E186 HydrophobicContact CG1-CG 4.07Å; I165-E186 HydrophobicContact CG2-CG 4.48Å; I182-E186 HydrophobicContact CG2-CB 4.46Å; I182-E186 WeakPolarHBondContact O-CB 3.42Å; I182-E186 PolarHBondContact O-N 2.8Å; E186-I188 HydrophobicContact CB-CD1 3.83Å; E186-I188 HydrophobicContact CB-CG1 3.88Å; E186-I188 PolarHBondContact O-N 2.72Å
187G85Confident90.7Very high58 Ų5841.9 Ų41.960%0.59822%0.222SC*.  trans70.612-178.400000114.4Q183 P189Q183-G187 WeakPolarHBondContact O-CA 3.5Å; Q183-G187 PolarHBondContact O-N 3.28Å; G187-P189 WeakPolarHBondContact O-CD 3.42Å
188I85.4Confident90.7Very high29 Ų2942.7 Ų42.715%0.14924%0.238CC..  trans-91.5118.3-173.7-54.5175.3000109.6Q183 E186 Q192 Q193 L221 L223Q183-I188 VanDerWaalsContact CA-O 3.24Å; Q183-I188 WeakPolarHBondContact CA-O 3.2Å; Q183-I188 WeakPolarHBondContact CB-O 3.26Å; Q183-I188 WeakPolarHBondContact CG-O 3.36Å; E186-I188 HydrophobicContact CB-CD1 3.83Å; E186-I188 HydrophobicContact CB-CG1 3.88Å; E186-I188 PolarHBondContact O-N 2.72Å; I188-Q192 HydrophobicContact CG2-CB 4.37Å; I188-Q193 HydrophobicContact CB-CG 4.37Å; I188-Q193 HydrophobicContact CG2-CG 3.68Å; I188-Q193 PolarHBondContact O-NE2 3.3Å; I188-L221 HydrophobicContact CD1-CD2 4.2Å; I188-L223 HydrophobicContact CD1-CD1 4.46Å; I188-L223 HydrophobicContact CD1-CD2 3.94Å; I188-L223 HydrophobicContact CG2-CD2 3.66Å
189P85.6Confident90.5Very high7 Ų746.3 Ų46.35%0.04528%0.275CS..  trans-61.1139.5179.9-26.837.1000114.1G187 D191 Q192 Q193 E244G187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 VanDerWaalsContact CB-OD1 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.14Å; P189-D191 PolarHBondContact O-N 2.73Å; P189-D191 VanDerWaalsContact O-N 3.16Å; P189-Q192 HydrophobicContact CB-CG 4.33Å; P189-Q192 WeakPolarHBondContact O-CB 3.44Å; P189-Q192 PolarHBondContact O-N 2.98Å; P189-Q193 WeakPolarHBondContact O-CG 3.14Å; P189-Q193 PolarHBondContact O-N 3.26Å; P189-E244 HydrophobicContact CG-CB 4.15Å
190P88.9Confident90.4Very high18 Ų1852.9 Ų52.912%0.11730%0.304CS..THydrogen-bonded Turntrans-50.2-35.1-180-33.234.7000116.3K179 Q183 Q192 Q193 E246K179-P190 HydrophobicContact CB-CB 3.81Å; K179-P190 HydrophobicContact CB-CG 4.23Å; K179-P190 HydrophobicContact CD-CB 4.21Å; K179-P190 WeakPolarHBondContact CD-O 3.3Å; K179-P190 WeakPolarHBondContact CE-O 3.26Å; K179-P190 PolarHBondContact NZ-O 3.3Å; K179-P190 VanDerWaalsContact NZ-O 3.16Å; Q183-P190 VanDerWaalsContact CD-CD 3.48Å; P190-Q192 VanDerWaalsContact C-N 3.34Å; P190-Q193 PolarHBondContact O-N 2.86Å; P190-E246 VanDerWaalsContact CD-OE1 3.28Å; P190-E246 WeakPolarHBondContact CD-OE1 3.41Å
191D84.4Confident90.6Very high50 Ų5055 Ų5527%0.26731%0.308SS..THydrogen-bonded Turntrans-72.1-2718070.9-29.2000113.3P189 Q193 R224 G228P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 VanDerWaalsContact CB-OD1 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.14Å; P189-D191 PolarHBondContact O-N 2.73Å; P189-D191 VanDerWaalsContact O-N 3.16Å; D191-Q193 VanDerWaalsContact C-N 3.35Å; D191-R224 WeakPolarHBondContact O-CD 3.28Å; D191-R224 PolarHBondContact O-NH1 2.86Å; D191-G228 VanDerWaalsContact OD2-CA 3.31Å; D191-G228 WeakPolarHBondContact OD2-CA 3.41Å
192Q88.1Confident90.8Very high32 Ų3253.4 Ų53.415%0.1530%0.301CS..THydrogen-bonded Turntrans-79.6-18.7171.6-61.2-171.51.300112.6I188 P189 P190 R224 E244I188-Q192 HydrophobicContact CG2-CB 4.37Å; P189-Q192 HydrophobicContact CB-CG 4.33Å; P189-Q192 WeakPolarHBondContact O-CB 3.44Å; P189-Q192 PolarHBondContact O-N 2.98Å; P190-Q192 VanDerWaalsContact C-N 3.34Å; Q192-R224 PolarHBondContact O-N 2.94Å; Q192-E244 PolarHBondContact NE2-OE2 3.02Å; Q192-E244 VanDerWaalsContact NE2-OE2 3.07Å
193Q92.3Very high90.9Very high0 Ų058.2 Ų58.20%032%0.323CS..EExtended strand (participates in β ladder)trans-83.9126.9-178-62.6178.639.100112K179 I182 I188 P189 P190 D191 L221K179-Q193 VanDerWaalsContact CA-OE1 3.24Å; K179-Q193 HydrophobicContact CD-CB 4.42Å; K179-Q193 VanDerWaalsContact CE-O 3.23Å; K179-Q193 WeakPolarHBondContact CE-O 3.47Å; K179-Q193 HydrophobicContact CG-CB 4.07Å; K179-Q193 PolarHBondContact NZ-O 2.89Å; K179-Q193 PolarHBondContact O-NE2 3.22Å; K179-Q193 PolarHBondContact O-OE1 3.09Å; I182-Q193 VanDerWaalsContact CB-OE1 3.29Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.22Å; I182-Q193 HydrophobicContact CG2-CG 4.47Å; I188-Q193 HydrophobicContact CB-CG 4.37Å; I188-Q193 HydrophobicContact CG2-CG 3.68Å; I188-Q193 PolarHBondContact O-NE2 3.3Å; P189-Q193 WeakPolarHBondContact O-CG 3.14Å; P189-Q193 PolarHBondContact O-N 3.26Å; P190-Q193 PolarHBondContact O-N 2.86Å; D191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-L221 HydrophobicContact CB-CD1 3.76Å; Q193-L221 HydrophobicContact CG-CD1 3.97Å
194R93.2Very high91.1Very high100 Ų10059.7 Ų59.738%0.37733%0.333SS..EExtended strand (participates in β ladder)trans-116.8103.7167.8-169.7-174.4-164.8-174.33.1109.5I196 Q201 V222R194-I196 HydrophobicContact CG-CG1 4.42Å; R194-Q201 HydrophobicContact CG-CG 3.99Å; R194-V222 WeakPolarHBondContact CA-O 3.24Å; R194-V222 HydrophobicContact CB-CB 4.22Å; R194-V222 WeakPolarHBondContact CB-O 3.1Å; R194-V222 PolarHBondContact N-O 2.82Å; R194-V222 PolarHBondContact O-N 3.22Å
195L96.3Very high91.5Very high1 Ų156.9 Ų56.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-86.1133.7175.7-64.2177.5000110.8V157 I175 V178 K179 I182 Q201 L202 L219 H220 L221V157-L195 HydrophobicContact CG1-CD2 4.1Å; I175-L195 HydrophobicContact CG2-CD1 4.16Å; V178-L195 HydrophobicContact CB-CD1 4.28Å; V178-L195 HydrophobicContact CG1-CD1 3.74Å; K179-L195 HydrophobicContact CG-CD1 3.93Å; K179-L195 HydrophobicContact CG-CG 4.47Å; I182-L195 HydrophobicContact CD1-CD1 4.03Å; I182-L195 HydrophobicContact CD1-CD2 3.7Å; I182-L195 HydrophobicContact CD1-CG 4.37Å; L195-Q201 WeakPolarHBondContact O-CA 3.44Å; L195-L202 HydrophobicContact CB-CB 4.41Å; L195-L202 HydrophobicContact CB-CD1 4.12Å; L195-L202 HydrophobicContact CB-CG 4.45Å; L195-L202 PolarHBondContact O-N 3.25Å; L195-L219 HydrophobicContact CD1-CD2 4.34Å; L195-H220 WeakPolarHBondContact CA-O 3.14Å; L195-L221 HydrophobicContact CD2-CB 4.2Å; L195-L221 HydrophobicContact CD2-CD1 3.91Å
196I96.8Very high91.9Very high38 Ų3856.2 Ų56.220%0.19533%0.328CS..EExtended strand (participates in β ladder)trans-129.7130.9-177.8-57.7171.5000108.6R194 K200 H220 V222R194-I196 HydrophobicContact CG-CG1 4.42Å; I196-K200 CarbonylContact C-O 3.48Å; I196-K200 VanDerWaalsContact CA-O 3.26Å; I196-K200 WeakPolarHBondContact CA-O 3.35Å; I196-K200 WeakPolarHBondContact CG2-O 3.46Å; I196-H220 HydrophobicContact CB-CB 4.32Å; I196-H220 PolarHBondContact N-O 3.29Å; I196-H220 PolarHBondContact O-N 2.95Å; I196-V222 HydrophobicContact CD1-CB 4.44Å; I196-V222 HydrophobicContact CD1-CG2 3.73Å
197F97.1Very high92.3Very high46 Ų4654.6 Ų54.620%0.20232%0.322CS..EExtended strand (participates in β ladder)trans-138139.1173.1179.6-108.2000109.9G199 K200 L202 I213 L219F197-G199 PolarHBondContact O-N 3.32Å; F197-G199 VanDerWaalsContact O-N 3.1Å; F197-K200 PolarHBondContact N-O 3.48Å; F197-K200 PolarHBondContact O-N 2.85Å; F197-K200 VanDerWaalsContact O-O 3.13Å; F197-L202 HydrophobicContact CB-CD1 4.03Å; F197-L202 HydrophobicContact CB-CD2 4.02Å; F197-L202 HydrophobicContact CB-CG 4.33Å; F197-I213 HydrophobicContact CB-CD1 4.41Å; F197-I213 HydrophobicContact CD1-CD1 4.19Å; F197-I213 HydrophobicContact CD1-CG1 3.67Å; F197-I213 HydrophobicContact CD2-CG1 4.44Å; F197-I213 HydrophobicContact CE1-CG1 3.74Å; F197-I213 HydrophobicContact CG-CD1 4.26Å; F197-I213 HydrophobicContact CG-CG1 4.03Å; F197-I213 HydrophobicContact CZ-CG1 4.18Å; F197-L219 HydrophobicContact CB-CG 4.27Å; F197-L219 HydrophobicContact CD2-CD1 4.14Å; F197-L219 HydrophobicContact CD2-CG 4.48Å
198A92.6Very high92.8Very high87 Ų8751.8 Ų51.872%0.71929%0.294SS*.THydrogen-bonded Turntrans47.939.1-17700000113.8K200A198-K200 PolarHBondContact O-N 3.23Å
199G91.4Very high93.3Very high76 Ų7653 Ų5378%0.78430%0.304SS*.THydrogen-bonded Turntrans740.7-178.700000115.5F197F197-G199 PolarHBondContact O-N 3.32Å; F197-G199 VanDerWaalsContact O-N 3.1Å
200K94Very high93.8Very high147 Ų14757 Ų5764%0.63933%0.326SS*.EExtended strand (participates in β ladder)trans-106138.6177.9-65.8-176.9179.71790110.9I196 F197 A198I196-K200 CarbonylContact C-O 3.48Å; I196-K200 VanDerWaalsContact CA-O 3.26Å; I196-K200 WeakPolarHBondContact CA-O 3.35Å; I196-K200 WeakPolarHBondContact CG2-O 3.46Å; F197-K200 PolarHBondContact N-O 3.48Å; F197-K200 PolarHBondContact O-N 2.85Å; F197-K200 VanDerWaalsContact O-O 3.13Å; A198-K200 PolarHBondContact O-N 3.23Å
201Q95.2Very high94.2Very high80 Ų8058 Ų5837%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-71.4137.4167179.5-175.9-31.300109.1R194 L195R194-Q201 HydrophobicContact CG-CG 3.99Å; L195-Q201 WeakPolarHBondContact O-CA 3.44Å
202L96.8Very high94.7Very high4 Ų461.2 Ų61.22%0.02135%0.345CS..PPolyproline II helixtrans-87.4144.9178.8-51.3-178.5000111I175 L195 F197 Y211 I213 L219I175-L202 HydrophobicContact CD1-CB 3.85Å; I175-L202 HydrophobicContact CD1-CD1 3.63Å; I175-L202 HydrophobicContact CD1-CG 4.3Å; I175-L202 HydrophobicContact CG1-CB 3.83Å; I175-L202 HydrophobicContact CG2-CB 3.91Å; L195-L202 HydrophobicContact CB-CB 4.41Å; L195-L202 HydrophobicContact CB-CD1 4.12Å; L195-L202 HydrophobicContact CB-CG 4.45Å; L195-L202 PolarHBondContact O-N 3.25Å; F197-L202 HydrophobicContact CB-CD1 4.03Å; F197-L202 HydrophobicContact CB-CD2 4.02Å; F197-L202 HydrophobicContact CB-CG 4.33Å; L202-Y211 HydrophobicContact CB-CE2 4.05Å; L202-Y211 HydrophobicContact CD2-CD1 3.65Å; L202-Y211 HydrophobicContact CD2-CD2 3.73Å; L202-Y211 HydrophobicContact CD2-CE1 3.7Å; L202-Y211 HydrophobicContact CD2-CE2 3.74Å; L202-Y211 HydrophobicContact CD2-CG 3.66Å; L202-Y211 HydrophobicContact CG-CE2 4.45Å; L202-I213 HydrophobicContact CD1-CD1 3.84Å; L202-L219 HydrophobicContact CD1-CD2 3.69Å; L202-L219 HydrophobicContact CD1-CG 4.18Å
203E96Very high95.1Very high102 Ų10259.8 Ų59.848%0.47734%0.338SS..PPolyproline II helixtrans-101.7134.3-177.8-66.8169.6-16900110.2I175 G205 R206 Y211I175-E203 VanDerWaalsContact CB-O 3.3Å; I175-E203 WeakPolarHBondContact CB-O 3.49Å; I175-E203 VanDerWaalsContact CG1-O 3.26Å; I175-E203 WeakPolarHBondContact CG1-O 3.27Å; E203-G205 VanDerWaalsContact C-N 3.32Å; E203-G205 PolarHBondContact O-N 3.35Å; E203-R206 HydrophobicContact CB-CG 4.27Å; E203-R206 PolarHBondContact O-N 2.94Å; E203-R206 VanDerWaalsContact O-N 3.12Å; E203-R206 IonicContact OE1-NH2 3.3Å; E203-R206 IonicContact OE2-CZ 3.64Å; E203-R206 VanDerWaalsContact OE2-CZ 3.26Å; E203-R206 IonicContact OE2-NE 2.77Å; E203-R206 PolarHBondContact OE2-NE 3.28Å; E203-R206 IonicContact OE2-NH2 2.65Å; E203-R206 PolarHBondContact OE2-NH2 3.27Å; E203-Y211 WeakPolarHBondContact CB-OH 3.37Å; E203-Y211 PolarHBondContact N-OH 3.12Å
204D93.2Very high95.1Very high69 Ų6965.3 Ų65.337%0.36936%0.364SS..THydrogen-bonded Turntrans-56.5-41.1-169.6-66.7-14000113.4I175 E176 K179 R206I175-D204 PolarHBondContact N-O 3.04Å; E176-D204 HydrophobicContact CB-CB 4.23Å; E176-D204 PolarHBondContact N-O 2.99Å; E176-D204 VanDerWaalsContact N-O 3.13Å; K179-D204 WeakPolarHBondContact CD-OD1 3.42Å; K179-D204 WeakPolarHBondContact CE-OD1 3.22Å; K179-D204 VanDerWaalsContact NZ-CG 3.34Å; K179-D204 IonicContact NZ-OD1 3.85Å; K179-D204 PolarHBondContact NZ-OD1 3.22Å; K179-D204 IonicContact NZ-OD2 3.78Å; K179-D204 PolarHBondContact NZ-OD2 3.45Å; D204-R206 VanDerWaalsContact C-N 3.33Å; D204-R206 PolarHBondContact O-N 2.87Å
205G93.3Very high95Very high70 Ų7065.8 Ų65.872%0.72237%0.369SS*.THydrogen-bonded Turntrans-81.11.1-177.900000116.2E203E203-G205 VanDerWaalsContact C-N 3.32Å; E203-G205 PolarHBondContact O-N 3.35Å
206R96.3Very high94.8Very high106 Ų10671.9 Ų71.940%0.440%0.397SS..SBendtrans-98.8156.5175.7-65.1-160.7-159.4-160.10.2111.2T174 I175 E203 D204 D210 Y211T174-R206 CarbonylContact C-O 3.59Å; T174-R206 VanDerWaalsContact CA-O 3.24Å; T174-R206 WeakPolarHBondContact CA-O 3.27Å; I175-R206 WeakPolarHBondContact CG1-O 3.48Å; I175-R206 PolarHBondContact N-O 3.3Å; E203-R206 HydrophobicContact CB-CG 4.27Å; E203-R206 PolarHBondContact O-N 2.94Å; E203-R206 VanDerWaalsContact O-N 3.12Å; E203-R206 IonicContact OE1-NH2 3.3Å; E203-R206 IonicContact OE2-CZ 3.64Å; E203-R206 VanDerWaalsContact OE2-CZ 3.26Å; E203-R206 IonicContact OE2-NE 2.77Å; E203-R206 PolarHBondContact OE2-NE 3.28Å; E203-R206 IonicContact OE2-NH2 2.65Å; E203-R206 PolarHBondContact OE2-NH2 3.27Å; D204-R206 VanDerWaalsContact C-N 3.33Å; D204-R206 PolarHBondContact O-N 2.87Å; R206-D210 HydrophobicContact CB-CB 4.22Å; R206-Y211 HydrophobicContact CB-CD2 4.32Å; R206-Y211 HydrophobicContact CB-CE2 3.6Å; R206-Y211 HydrophobicContact CG-CE2 4.34Å
207T96.1Very high94.8Very high26 Ų2671.1 Ų71.116%0.1640%0.395CS..BIsolated β-bridgetrans-89.7166.8178.470.70000112.9S172 D173 T174 S209 D210 Y211S172-T207 WeakPolarHBondContact O-CG2 3.47Å; D173-T207 CarbonylContact O-C 3.58Å; D173-T207 WeakPolarHBondContact O-CA 3.43Å; T174-T207 HydrophobicContact CG2-CG2 4.47Å; T207-S209 VanDerWaalsContact C-N 3.25Å; T207-S209 PolarHBondContact O-N 3.14Å; T207-S209 PolarHBondContact OG1-N 2.86Å; T207-S209 PolarHBondContact OG1-OG 2.85Å; T207-D210 PolarHBondContact N-OD2 2.93Å; T207-D210 WeakPolarHBondContact O-CB 3.26Å; T207-D210 PolarHBondContact O-N 2.91Å; T207-D210 PolarHBondContact OG1-N 3.33Å; T207-D210 VanDerWaalsContact OG1-N 3.13Å; T207-D210 PolarHBondContact OG1-OD1 3.3Å; T207-D210 PolarHBondContact OG1-OD2 3.13Å; T207-Y211 WeakPolarHBondContact O-CD2 3.23Å
208L96.2Very high94.8Very high0 Ų071 Ų710%040%0.398CS..THydrogen-bonded Turntrans-58.2-39.3168.5-70.3-176.3000111.8M153 I155 V169 D173 I175 V178 D210 Y211 N212 I213M153-L208 HydrophobicContact CE-CD1 4.39Å; I155-L208 HydrophobicContact CD1-CD1 4.23Å; I155-L208 HydrophobicContact CD1-CD2 4.36Å; V169-L208 HydrophobicContact CB-CD1 3.55Å; V169-L208 HydrophobicContact CG1-CD1 4.09Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å; D173-L208 HydrophobicContact CB-CD1 4.27Å; D173-L208 HydrophobicContact CB-CG 4.47Å; D173-L208 PolarHBondContact O-N 3.41Å; I175-L208 HydrophobicContact CD1-CD2 3.95Å; V178-L208 HydrophobicContact CG2-CD1 4.03Å; V178-L208 HydrophobicContact CG2-CD2 3.93Å; V178-L208 HydrophobicContact CG2-CG 4.04Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.75Å; L208-Y211 PolarHBondContact O-N 2.98Å; L208-N212 PolarHBondContact O-N 3.25Å; L208-I213 HydrophobicContact CB-CB 4.23Å; L208-I213 HydrophobicContact CD2-CB 4.11Å; L208-I213 HydrophobicContact CD2-CD1 3.56Å; L208-I213 HydrophobicContact CD2-CG1 4.43Å; L208-I213 HydrophobicContact CD2-CG2 4.04Å; L208-I213 WeakPolarHBondContact O-CB 3.47Å; L208-I213 PolarHBondContact O-N 2.67Å
209S95.6Very high95Very high53 Ų5366.9 Ų66.937%0.37136%0.364SS..G310 helixtrans-64-36.4177.2660000112.7P171 T207 Y211 N212P171-S209 WeakPolarHBondContact O-CB 3.1Å; P171-S209 PolarHBondContact O-N 2.93Å; P171-S209 PolarHBondContact O-OG 2.86Å; T207-S209 VanDerWaalsContact C-N 3.25Å; T207-S209 PolarHBondContact O-N 3.14Å; T207-S209 PolarHBondContact OG1-N 2.86Å; T207-S209 PolarHBondContact OG1-OG 2.85Å; S209-Y211 PolarHBondContact O-N 3.48Å; S209-N212 WeakPolarHBondContact O-CA 3.29Å; S209-N212 PolarHBondContact O-N 3.42Å
210D96.6Very high95.3Very high93 Ų9368 Ų6850%0.49735%0.349SS..G310 helixtrans-60.7-30178.2-67.1-25.1000112.5R206 T207 L208R206-D210 HydrophobicContact CB-CB 4.22Å; T207-D210 PolarHBondContact N-OD2 2.93Å; T207-D210 WeakPolarHBondContact O-CB 3.26Å; T207-D210 PolarHBondContact O-N 2.91Å; T207-D210 PolarHBondContact OG1-N 3.33Å; T207-D210 VanDerWaalsContact OG1-N 3.13Å; T207-D210 PolarHBondContact OG1-OD1 3.3Å; T207-D210 PolarHBondContact OG1-OD2 3.13Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.75Å
211Y96.7Very high95.4Very high37 Ų3761.2 Ų61.215%0.14532%0.319CS..G310 helixtrans-93.85.4175.6-69.5-69.7000113.6I175 L202 E203 R206 T207 L208 S209 I213I175-Y211 HydrophobicContact CD1-CD2 4.24Å; I175-Y211 HydrophobicContact CD1-CE2 4.34Å; I175-Y211 HydrophobicContact CG1-CD2 4.37Å; I175-Y211 HydrophobicContact CG1-CE2 4Å; L202-Y211 HydrophobicContact CB-CE2 4.05Å; L202-Y211 HydrophobicContact CD2-CD1 3.65Å; L202-Y211 HydrophobicContact CD2-CD2 3.73Å; L202-Y211 HydrophobicContact CD2-CE1 3.7Å; L202-Y211 HydrophobicContact CD2-CE2 3.74Å; L202-Y211 HydrophobicContact CD2-CG 3.66Å; L202-Y211 HydrophobicContact CG-CE2 4.45Å; E203-Y211 WeakPolarHBondContact CB-OH 3.37Å; E203-Y211 PolarHBondContact N-OH 3.12Å; R206-Y211 HydrophobicContact CB-CD2 4.32Å; R206-Y211 HydrophobicContact CB-CE2 3.6Å; R206-Y211 HydrophobicContact CG-CE2 4.34Å; T207-Y211 WeakPolarHBondContact O-CD2 3.23Å; L208-Y211 PolarHBondContact O-N 2.98Å; S209-Y211 PolarHBondContact O-N 3.48Å; Y211-I213 PolarHBondContact O-N 2.86Å
212N95.2Very high95.2Very high119 Ų11959.2 Ų59.264%0.63631%0.313SS*.THydrogen-bonded Turntrans51.234.6-171.9-67.7-48000112.8L208 S209 Q214L208-N212 PolarHBondContact O-N 3.25Å; S209-N212 WeakPolarHBondContact O-CA 3.29Å; S209-N212 PolarHBondContact O-N 3.42Å; N212-Q214 PolarHBondContact O-N 3.16Å
213I95.4Very high94.8Very high1 Ų163 Ų631%0.00533%0.332CS..PPolyproline II helixtrans-72.9117.4174.5-65.5166.4000106.7M153 I155 F197 L202 L208 Y211 L219M153-I213 WeakPolarHBondContact CE-O 3.32Å; I155-I213 HydrophobicContact CG2-CG2 3.9Å; F197-I213 HydrophobicContact CB-CD1 4.41Å; F197-I213 HydrophobicContact CD1-CD1 4.19Å; F197-I213 HydrophobicContact CD1-CG1 3.67Å; F197-I213 HydrophobicContact CD2-CG1 4.44Å; F197-I213 HydrophobicContact CE1-CG1 3.74Å; F197-I213 HydrophobicContact CG-CD1 4.26Å; F197-I213 HydrophobicContact CG-CG1 4.03Å; F197-I213 HydrophobicContact CZ-CG1 4.18Å; L202-I213 HydrophobicContact CD1-CD1 3.84Å; L208-I213 HydrophobicContact CB-CB 4.23Å; L208-I213 HydrophobicContact CD2-CB 4.11Å; L208-I213 HydrophobicContact CD2-CD1 3.56Å; L208-I213 HydrophobicContact CD2-CG1 4.43Å; L208-I213 HydrophobicContact CD2-CG2 4.04Å; L208-I213 WeakPolarHBondContact O-CB 3.47Å; L208-I213 PolarHBondContact O-N 2.67Å; Y211-I213 PolarHBondContact O-N 2.86Å; I213-L219 HydrophobicContact CD1-CD1 4.18Å; I213-L219 HydrophobicContact CD1-CD2 4.37Å; I213-L219 HydrophobicContact CD1-CG 4.47Å; I213-L219 HydrophobicContact CG2-CD1 3.93Å
214Q93Very high94Very high116 Ų11663 Ų6354%0.54233%0.328SS..PPolyproline II helixtrans-102.3170.8-177.7-60.7-57.1-42.600111.2N212 E216 S217N212-Q214 PolarHBondContact O-N 3.16Å; Q214-E216 PolarHBondContact O-N 2.72Å; Q214-S217 PolarHBondContact N-OG 3.22Å; Q214-S217 WeakPolarHBondContact O-CB 3.48Å; Q214-S217 PolarHBondContact O-N 2.66Å; Q214-S217 PolarHBondContact O-OG 2.81Å
215K91Very high92.8Very high110 Ų11067.7 Ų67.748%0.47835%0.352SS..THydrogen-bonded Turntrans-47.8138.2168.8-166.3-178.1176.6166.40110.8M153 S217M153-K215 HydrophobicContact CG-CB 4.16Å; M153-K215 HydrophobicContact CG-CG 4.44Å; K215-S217 PolarHBondContact O-N 2.8Å
216E93.1Very high91.2Very high130 Ų13075.6 Ų75.661%0.60736%0.36SS*.THydrogen-bonded Turntrans64.79.1-177.4-64.3171-166.700115.3Q154 F156 Q214Q154-E216 PolarHBondContact O-N 3.34Å; F156-E216 WeakPolarHBondContact CD2-O 3.28Å; F156-E216 HydrophobicContact CE2-CB 3.89Å; F156-E216 HydrophobicContact CE2-CG 3.99Å; F156-E216 HydrophobicContact CZ-CG 4.49Å; Q214-E216 PolarHBondContact O-N 2.72Å
217S96.8Very high89.6Confident21 Ų2172.6 Ų72.615%0.14736%0.362CS..  trans-62.2145.5172-65.70000111.3F156 Q214 K215F156-S217 PolarHBondContact N-O 3.36Å; Q214-S217 PolarHBondContact N-OG 3.22Å; Q214-S217 WeakPolarHBondContact O-CB 3.48Å; Q214-S217 PolarHBondContact O-N 2.66Å; Q214-S217 PolarHBondContact O-OG 2.81Å; K215-S217 PolarHBondContact O-N 2.8Å
218T96.6Very high88.5Confident44 Ų4471.5 Ų71.527%0.2736%0.356SS..EExtended strand (participates in β ladder)trans-110.3117.3177.2-57.70000111.3F156 K158F156-T218 HydrophobicContact CB-CG2 4.3Å; F156-T218 CarbonylContact O-C 3.46Å; F156-T218 VanDerWaalsContact O-CA 3.27Å; F156-T218 WeakPolarHBondContact O-CA 3.29Å; K158-T218 HydrophobicContact CB-CG2 4.23Å; K158-T218 HydrophobicContact CD-CG2 3.76Å; K158-T218 HydrophobicContact CG-CG2 3.71Å
219L97.3Very high88.1Confident0 Ų072.7 Ų72.70%036%0.362CS..EExtended strand (participates in β ladder)trans-90.8156.4169.6-74.961.4000109.3I155 F156 V157 K158 L195 F197 L202 I213I155-L219 HydrophobicContact CD1-CD1 4.11Å; I155-L219 HydrophobicContact CD1-CD2 4.17Å; F156-L219 PolarHBondContact O-N 2.76Å; V157-L219 CarbonylContact C-O 3.53Å; V157-L219 WeakPolarHBondContact CA-O 3.26Å; V157-L219 HydrophobicContact CG2-CB 4.33Å; K158-L219 PolarHBondContact N-O 2.68Å; L195-L219 HydrophobicContact CD1-CD2 4.34Å; F197-L219 HydrophobicContact CB-CG 4.27Å; F197-L219 HydrophobicContact CD2-CD1 4.14Å; F197-L219 HydrophobicContact CD2-CG 4.48Å; L202-L219 HydrophobicContact CD1-CD2 3.69Å; L202-L219 HydrophobicContact CD1-CG 4.18Å; I213-L219 HydrophobicContact CD1-CD1 4.18Å; I213-L219 HydrophobicContact CD1-CD2 4.37Å; I213-L219 HydrophobicContact CD1-CG 4.47Å; I213-L219 HydrophobicContact CG2-CD1 3.93Å
220H97.1Very high87.9Confident101 Ų10173.1 Ų73.147%0.46836%0.358SS..EExtended strand (participates in β ladder)trans-109.4129.9172.5-65.674.3000109.4K158 L195 I196K158-H220 CarbonylContact O-C 3.55Å; K158-H220 WeakPolarHBondContact O-CA 3.45Å; L195-H220 WeakPolarHBondContact CA-O 3.14Å; I196-H220 HydrophobicContact CB-CB 4.32Å; I196-H220 PolarHBondContact N-O 3.29Å; I196-H220 PolarHBondContact O-N 2.95Å
221L94.9Very high87.8Confident3 Ų368.7 Ų68.72%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-100.6120.4175.3175.762.7000110V157 K158 T159 I182 I188 Q193 L195 L223V157-L221 HydrophobicContact CG1-CB 3.54Å; V157-L221 HydrophobicContact CG1-CD2 4.41Å; K158-L221 PolarHBondContact O-N 3.16Å; T159-L221 HydrophobicContact CG2-CD2 4.46Å; I182-L221 HydrophobicContact CG2-CD2 4.09Å; I188-L221 HydrophobicContact CD1-CD2 4.2Å; Q193-L221 HydrophobicContact CB-CD1 3.76Å; Q193-L221 HydrophobicContact CG-CD1 3.97Å; L195-L221 HydrophobicContact CD2-CB 4.2Å; L195-L221 HydrophobicContact CD2-CD1 3.91Å; L221-L223 HydrophobicContact CD1-CD2 4.2Å; L221-L223 HydrophobicContact CD2-CD2 4.07Å; L221-L223 HydrophobicContact CG-CD2 4.03Å
222V91.3Very high87.8Confident39 Ų3969.5 Ų69.524%0.23634%0.339CS..EExtended strand (participates in β ladder)trans-111.6126.1170.5176.20000108.3L160 R194 I196L160-V222 HydrophobicContact CD1-CG1 4.24Å; L160-V222 HydrophobicContact CD1-CG2 4.45Å; L160-V222 HydrophobicContact CD2-CG2 4.17Å; L160-V222 HydrophobicContact CG-CG2 4.38Å; R194-V222 WeakPolarHBondContact CA-O 3.24Å; R194-V222 HydrophobicContact CB-CB 4.22Å; R194-V222 WeakPolarHBondContact CB-O 3.1Å; R194-V222 PolarHBondContact N-O 2.82Å; R194-V222 PolarHBondContact O-N 3.22Å; I196-V222 HydrophobicContact CD1-CB 4.44Å; I196-V222 HydrophobicContact CD1-CG2 3.73Å
223L88.1Confident87.9Confident82 Ų8263.9 Ų63.943%0.42931%0.309SS..EExtended strand (participates in β ladder)trans-83.8132.1178.2-57.7-177.1000110.9I188 L221I188-L223 HydrophobicContact CD1-CD1 4.46Å; I188-L223 HydrophobicContact CD1-CD2 3.94Å; I188-L223 HydrophobicContact CG2-CD2 3.66Å; L221-L223 HydrophobicContact CD1-CD2 4.2Å; L221-L223 HydrophobicContact CD2-CD2 4.07Å; L221-L223 HydrophobicContact CG-CD2 4.03Å
224R80.8Confident87.9Confident104 Ų10468 Ų6839%0.39233%0.326SS..  trans-84.5112171.3-65.4176.4173.4172.6-1.3108.8D191 Q192 R226D191-R224 WeakPolarHBondContact O-CD 3.28Å; D191-R224 PolarHBondContact O-NH1 2.86Å; Q192-R224 PolarHBondContact O-N 2.94Å; R224-R226 VanDerWaalsContact C-N 3.25Å; R224-R226 PolarHBondContact O-N 2.94Å
225L66.4Low87.8Confident167 Ų16763.7 Ų63.787%0.87431%0.308SS*.THydrogen-bonded Turntrans-68.1-13-175.4-69.7171000115.5
226R60.4Low87.5Confident236 Ų23665.2 Ų65.289%0.89132%0.321SS*.THydrogen-bonded Turntrans-142.718.1-167.4-64.2-170.5-176-179.31.3115.7R224R224-R226 VanDerWaalsContact C-N 3.25Å; R224-R226 PolarHBondContact O-N 2.94Å
227G62.5Low87Confident43 Ų4364.7 Ų64.744%0.44333%0.327SS..  trans-91.4-27.4-171.900000115.7
228G74.1Confident86.5Confident3 Ų366.3 Ų66.33%0.03135%0.346CS..SBendtrans-61.6148.1-166.500000115.7D191 Q230 E244 K291D191-G228 VanDerWaalsContact OD2-CA 3.31Å; D191-G228 WeakPolarHBondContact OD2-CA 3.41Å; G228-Q230 PolarHBondContact O-N 2.83Å; G228-E244 WeakPolarHBondContact CA-OE2 3.48Å; G228-K291 PolarHBondContact O-NZ 3.44Å; G228-K291 VanDerWaalsContact O-NZ 3.13Å
229M87.5Confident86.1Confident24 Ų2469.2 Ų69.212%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-72.6111.4155.8169.1166.6163.600108.1I231 V245 P247 L284 I289 K291M229-I231 HydrophobicContact CE-CG2 4.2Å; M229-V245 WeakPolarHBondContact CB-O 3.19Å; M229-V245 HydrophobicContact CE-CG2 4.22Å; M229-V245 HydrophobicContact CG-CG2 4.09Å; M229-V245 PolarHBondContact O-N 2.8Å; M229-P247 HydrophobicContact SD-CG 3.83Å; M229-L284 HydrophobicContact CE-CD1 4.43Å; M229-I289 VanDerWaalsContact CE-O 3.24Å; M229-I289 WeakPolarHBondContact CE-O 3.24Å; M229-K291 HydrophobicContact CG-CB 4.15Å
230Q90.8Very high85.8Confident62 Ų6272.3 Ų72.329%0.2937%0.374SS..EExtended strand (participates in β ladder)trans-99.7142.3174.2-71.8176.517.200110G228 T242 L243 E244 E292G228-Q230 PolarHBondContact O-N 2.83Å; Q230-T242 HydrophobicContact CB-CG2 4.21Å; Q230-T242 HydrophobicContact CG-CG2 4.15Å; Q230-L243 CarbonylContact C-O 3.55Å; Q230-L243 VanDerWaalsContact CA-O 3.28Å; Q230-L243 WeakPolarHBondContact CA-O 3.47Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.38Å; Q230-E244 VanDerWaalsContact CG-OE2 3.3Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.49Å; Q230-E244 PolarHBondContact NE2-OE1 2.82Å; Q230-E292 PolarHBondContact O-N 2.81Å
231I95Very high85.6Confident0 Ų067.9 Ų67.90%035%0.354CS..EExtended strand (participates in β ladder)trans-121.6162.4163.564.2170.9000109.5M229 L243 V245 V254 L284 I289 L295M229-I231 HydrophobicContact CE-CG2 4.2Å; I231-L243 HydrophobicContact CG1-CB 4.01Å; I231-L243 PolarHBondContact N-O 3.33Å; I231-L243 PolarHBondContact O-N 2.88Å; I231-V245 HydrophobicContact CB-CG2 4.24Å; I231-V245 HydrophobicContact CD1-CG1 3.91Å; I231-V245 HydrophobicContact CD1-CG2 4.06Å; I231-V245 HydrophobicContact CG1-CG1 3.91Å; I231-V245 HydrophobicContact CG1-CG2 3.77Å; I231-V245 HydrophobicContact CG2-CG2 3.67Å; I231-V254 HydrophobicContact CD1-CG1 4.2Å; I231-L284 HydrophobicContact CD1-CD1 4.24Å; I231-L284 HydrophobicContact CD1-CD2 4.36Å; I231-I289 HydrophobicContact CG2-CG2 3.92Å; I231-L295 HydrophobicContact CD1-CD1 4.16Å; I231-L295 HydrophobicContact CD1-CD2 4.18Å
232F97.3Very high85.5Confident55 Ų5570.2 Ų70.224%0.24137%0.369CS..EExtended strand (participates in β ladder)trans-112.3139.1177.2-56.3-70.7000110T240 I241 T242 E292 S293 T294 L295F232-T240 HydrophobicContact CB-CG2 3.83Å; F232-T240 HydrophobicContact CD1-CG2 3.99Å; F232-T240 HydrophobicContact CG-CG2 4.24Å; F232-I241 CarbonylContact C-O 3.57Å; F232-I241 WeakPolarHBondContact CA-O 3.11Å; F232-T242 HydrophobicContact CD1-CG2 4.29Å; F232-T242 HydrophobicContact CE1-CG2 4Å; F232-E292 WeakPolarHBondContact CD2-O 3.48Å; F232-E292 HydrophobicContact CE2-CB 3.93Å; F232-E292 HydrophobicContact CE2-CG 4.02Å; F232-S293 PolarHBondContact N-O 3.34Å; F232-T294 HydrophobicContact CB-CG2 4.3Å; F232-T294 CarbonylContact O-C 3.46Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.31Å; F232-L295 PolarHBondContact O-N 2.87Å
233V97.2Very high85.5Confident0 Ų068.4 Ų68.40%036%0.358CS..EExtended strand (participates in β ladder)trans-119.2112.7174-178.80000108.2I241 L243 I258 L271 L295 L297V233-I241 HydrophobicContact CB-CB 4.3Å; V233-I241 PolarHBondContact N-O 3.41Å; V233-I241 PolarHBondContact O-N 2.9Å; V233-L243 HydrophobicContact CG2-CD1 3.51Å; V233-L243 HydrophobicContact CG2-CG 4.17Å; V233-I258 HydrophobicContact CG1-CD1 4.18Å; V233-I258 HydrophobicContact CG2-CD1 4.18Å; V233-L271 HydrophobicContact CG1-CD2 4.09Å; V233-L295 CarbonylContact C-O 3.6Å; V233-L295 WeakPolarHBondContact CA-O 3.42Å; V233-L295 HydrophobicContact CG2-CB 4.31Å; V233-L297 HydrophobicContact CG1-CB 3.52Å; V233-L297 HydrophobicContact CG1-CD2 4.39Å
234K95.7Very high85.6Confident87 Ų8766.8 Ų66.838%0.37835%0.348SS..EExtended strand (participates in β ladder)trans-91.8124.3177.3-76.4-173.4-179.3-178.70110.8K239 T240 T294 L295 H296 L297K234-K239 WeakPolarHBondContact CA-O 3.5Å; K234-T240 HydrophobicContact CG-CG2 4.31Å; K234-T294 HydrophobicContact CB-CG2 4.28Å; K234-T294 HydrophobicContact CD-CG2 3.75Å; K234-T294 HydrophobicContact CG-CG2 3.71Å; K234-L295 PolarHBondContact N-O 2.81Å; K234-H296 WeakPolarHBondContact O-CA 3.34Å; K234-L297 PolarHBondContact O-N 2.78Å
235T90.5Very high86.1Confident26 Ų2662 Ų6216%0.1633%0.33CS..EExtended strand (participates in β ladder)trans-77.9164.8171.671.90000110.7T237 G238 K239 I241 L297T235-T237 PolarHBondContact O-N 3.19Å; T235-T237 PolarHBondContact OG1-N 3.44Å; T235-T237 PolarHBondContact OG1-OG1 2.87Å; T235-G238 PolarHBondContact O-N 2.99Å; T235-G238 PolarHBondContact OG1-N 2.65Å; T235-K239 HydrophobicContact CG2-CB 4.17Å; T235-K239 PolarHBondContact N-O 3.25Å; T235-K239 WeakPolarHBondContact OG1-CB 3.23Å; T235-K239 PolarHBondContact OG1-N 2.79Å; T235-K239 VanDerWaalsContact OG1-N 3.17Å; T235-K239 PolarHBondContact OG1-O 3.1Å; T235-I241 HydrophobicContact CG2-CD1 3.86Å; T235-L297 HydrophobicContact CG2-CD2 4.48Å
236L85Confident87.2Confident142 Ų14256 Ų5674%0.74330%0.297SS*.THydrogen-bonded Turntrans-62.4-21.2171.9-68.9178.1000113.8G238 V298L236-G238 VanDerWaalsContact C-N 3.27Å; L236-V298 HydrophobicContact CD1-CG1 4.23Å; L236-V298 HydrophobicContact CD1-CG2 4.42Å; L236-V298 HydrophobicContact CD2-CG2 4.13Å; L236-V298 HydrophobicContact CG-CG2 4.34Å
237T82.8Confident88.6Confident120 Ų12047.9 Ų47.974%0.73628%0.275SS*.THydrogen-bonded Turntrans-80.8-9.3175.761.20000112.7T235T235-T237 PolarHBondContact O-N 3.19Å; T235-T237 PolarHBondContact OG1-N 3.44Å; T235-T237 PolarHBondContact OG1-OG1 2.87Å
238G85.3Confident89.9Confident54 Ų5449.4 Ų49.456%0.55728%0.279SS*.SBendtrans93.7-5.3-177.100000114.4T235 L236 T240T235-G238 PolarHBondContact O-N 2.99Å; T235-G238 PolarHBondContact OG1-N 2.65Å; L236-G238 VanDerWaalsContact C-N 3.27Å; G238-T240 PolarHBondContact O-N 2.73Å
239K88.6Confident90.8Very high106 Ų10649.6 Ų49.646%0.46128%0.279SS..  trans-61.3133.6172.6-175.3-179.4174.3-170.90109.2K234 T235 E262K234-K239 WeakPolarHBondContact CA-O 3.5Å; T235-K239 HydrophobicContact CG2-CB 4.17Å; T235-K239 PolarHBondContact N-O 3.25Å; T235-K239 WeakPolarHBondContact OG1-CB 3.23Å; T235-K239 PolarHBondContact OG1-N 2.79Å; T235-K239 VanDerWaalsContact OG1-N 3.17Å; T235-K239 PolarHBondContact OG1-O 3.1Å; K239-E262 WeakPolarHBondContact CE-OE1 3.47Å; K239-E262 IonicContact NZ-OE1 3.8Å; K239-E262 PolarHBondContact NZ-OE1 2.82Å; K239-E262 IonicContact NZ-OE2 3.02Å; K239-E262 PolarHBondContact NZ-OE2 2.87Å
240T91.6Very high91.1Very high65 Ų6550 Ų5040%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-108121.4175.7-57.30000109F232 K234 G238F232-T240 HydrophobicContact CB-CG2 3.83Å; F232-T240 HydrophobicContact CD1-CG2 3.99Å; F232-T240 HydrophobicContact CG-CG2 4.24Å; K234-T240 HydrophobicContact CG-CG2 4.31Å; G238-T240 PolarHBondContact O-N 2.73Å
241I91.2Very high91.4Very high7 Ų747.1 Ų47.14%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-101.1125.6177.3-55.7151.1000107.4F232 V233 T235 L243 K261 E262F232-I241 CarbonylContact C-O 3.57Å; F232-I241 WeakPolarHBondContact CA-O 3.11Å; V233-I241 HydrophobicContact CB-CB 4.3Å; V233-I241 PolarHBondContact N-O 3.41Å; V233-I241 PolarHBondContact O-N 2.9Å; T235-I241 HydrophobicContact CG2-CD1 3.86Å; I241-L243 HydrophobicContact CG2-CD2 3.86Å; I241-L243 HydrophobicContact CG2-CG 4.36Å; I241-K261 HydrophobicContact CG2-CD 4.21Å; I241-E262 HydrophobicContact CD1-CG 3.62Å; I241-E262 HydrophobicContact CG1-CG 4.04Å; I241-E262 HydrophobicContact CG2-CG 4.45Å
242T93.1Very high91.4Very high53 Ų5352.7 Ų52.733%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-91126.4174.5-53.50000109.4Q230 F232 K261Q230-T242 HydrophobicContact CB-CG2 4.21Å; Q230-T242 HydrophobicContact CG-CG2 4.15Å; F232-T242 HydrophobicContact CD1-CG2 4.29Å; F232-T242 HydrophobicContact CE1-CG2 4Å; T242-K261 PolarHBondContact O-NZ 3.09Å
243L91.8Very high91.2Very high1 Ų153.3 Ų53.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-117.5136.1177.2-58.2178.2000110.4Q230 I231 V233 I241 V245 V254 K257 I258 K261Q230-L243 CarbonylContact C-O 3.55Å; Q230-L243 VanDerWaalsContact CA-O 3.28Å; Q230-L243 WeakPolarHBondContact CA-O 3.47Å; I231-L243 HydrophobicContact CG1-CB 4.01Å; I231-L243 PolarHBondContact N-O 3.33Å; I231-L243 PolarHBondContact O-N 2.88Å; V233-L243 HydrophobicContact CG2-CD1 3.51Å; V233-L243 HydrophobicContact CG2-CG 4.17Å; I241-L243 HydrophobicContact CG2-CD2 3.86Å; I241-L243 HydrophobicContact CG2-CG 4.36Å; L243-V245 HydrophobicContact CB-CG1 3.97Å; L243-V254 HydrophobicContact CD1-CG1 3.81Å; L243-K257 HydrophobicContact CD2-CB 4.34Å; L243-I258 HydrophobicContact CD1-CD1 4.03Å; L243-I258 HydrophobicContact CD1-CG1 3.53Å; L243-I258 HydrophobicContact CD2-CG1 4.28Å; L243-I258 HydrophobicContact CG-CG1 4.47Å; L243-K261 HydrophobicContact CD2-CD 3.86Å
244E89.7Confident91.1Very high48 Ų4853.3 Ų53.322%0.22430%0.302CS..EExtended strand (participates in β ladder)trans-87.5122.4167.7-61.5-67.4164.600108.3P189 Q192 G228 Q230 K257P189-E244 HydrophobicContact CG-CB 4.15Å; Q192-E244 PolarHBondContact NE2-OE2 3.02Å; Q192-E244 VanDerWaalsContact NE2-OE2 3.07Å; G228-E244 WeakPolarHBondContact CA-OE2 3.48Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.38Å; Q230-E244 VanDerWaalsContact CG-OE2 3.3Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.49Å; Q230-E244 PolarHBondContact NE2-OE1 2.82Å; E244-K257 PolarHBondContact O-NZ 3.17Å
245V91.1Very high91.1Very high3 Ų349.7 Ų49.72%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-142.2160.1-171.2-61.70000111.3M229 I231 L243 D249 V254 K257 L284M229-V245 WeakPolarHBondContact CB-O 3.19Å; M229-V245 HydrophobicContact CE-CG2 4.22Å; M229-V245 HydrophobicContact CG-CG2 4.09Å; M229-V245 PolarHBondContact O-N 2.8Å; I231-V245 HydrophobicContact CB-CG2 4.24Å; I231-V245 HydrophobicContact CD1-CG1 3.91Å; I231-V245 HydrophobicContact CD1-CG2 4.06Å; I231-V245 HydrophobicContact CG1-CG1 3.91Å; I231-V245 HydrophobicContact CG1-CG2 3.77Å; I231-V245 HydrophobicContact CG2-CG2 3.67Å; L243-V245 HydrophobicContact CB-CG1 3.97Å; V245-D249 VanDerWaalsContact CA-OD2 3.26Å; V245-D249 WeakPolarHBondContact CA-OD2 3.43Å; V245-V254 HydrophobicContact CG1-CG2 4.23Å; V245-K257 HydrophobicContact CG1-CD 4.09Å; V245-L284 HydrophobicContact CB-CD1 3.56Å; V245-L284 HydrophobicContact CG1-CD1 4.12Å; V245-L284 HydrophobicContact CG2-CD1 3.43Å; V245-L284 VanDerWaalsContact CG2-CD1 3.43Å
246E89.3Confident91.2Very high40 Ų4050.1 Ų50.119%0.18729%0.292CS..  trans-110.3152.7171.1-62-169.2162.100111.1P190 S248 D249P190-E246 VanDerWaalsContact CD-OE1 3.28Å; P190-E246 WeakPolarHBondContact CD-OE1 3.41Å; E246-S248 PolarHBondContact O-N 3.31Å; E246-S248 VanDerWaalsContact O-N 3.14Å; E246-S248 PolarHBondContact OE2-OG 3.21Å; E246-D249 PolarHBondContact N-OD2 3.34Å; E246-D249 VanDerWaalsContact O-CB 3.29Å; E246-D249 WeakPolarHBondContact O-CB 3.48Å; E246-D249 PolarHBondContact O-N 3.2Å
247P90.8Very high91.6Very high66 Ų6645.2 Ų45.243%0.42927%0.265SS..THydrogen-bonded Turntrans-56.4-29.6175.4-25.133.8000113.8M229 D249 S285M229-P247 HydrophobicContact SD-CG 3.83Å; P247-D249 VanDerWaalsContact C-N 3.35Å; P247-S285 WeakPolarHBondContact O-CB 3.22Å; P247-S285 PolarHBondContact O-N 3.46Å
248S89.2Confident92.1Very high75 Ų7539.5 Ų39.552%0.52423%0.23SC..THydrogen-bonded Turntrans-76.6-15.3175.840.70000113.9E246 T250 T283E246-S248 PolarHBondContact O-N 3.31Å; E246-S248 VanDerWaalsContact O-N 3.14Å; E246-S248 PolarHBondContact OE2-OG 3.21Å; S248-T250 PolarHBondContact O-N 3.32Å; S248-T283 VanDerWaalsContact O-CG2 3.3Å; S248-T283 WeakPolarHBondContact O-CG2 3.43Å
249D92.6Very high92.3Very high7 Ų739 Ų394%0.03721%0.213CC..  trans-59.2129.5179.7-85.5-32.7000110V245 E246 P247 N253 V254 K257 T283 L284V245-D249 VanDerWaalsContact CA-OD2 3.26Å; V245-D249 WeakPolarHBondContact CA-OD2 3.43Å; E246-D249 PolarHBondContact N-OD2 3.34Å; E246-D249 VanDerWaalsContact O-CB 3.29Å; E246-D249 WeakPolarHBondContact O-CB 3.48Å; E246-D249 PolarHBondContact O-N 3.2Å; P247-D249 VanDerWaalsContact C-N 3.35Å; D249-N253 HydrophobicContact CB-CB 4.2Å; D249-N253 PolarHBondContact OD1-ND2 2.68Å; D249-V254 HydrophobicContact CB-CG2 4.36Å; D249-K257 VanDerWaalsContact OD2-CE 3.23Å; D249-K257 WeakPolarHBondContact OD2-CE 3.47Å; D249-K257 IonicContact OD2-NZ 3.8Å; D249-T283 CarbonylContact O-C 3.52Å; D249-T283 WeakPolarHBondContact O-CA 3.2Å; D249-L284 HydrophobicContact CB-CD1 4.29Å; D249-L284 HydrophobicContact CB-CG 4.49Å; D249-L284 PolarHBondContact O-N 2.87Å
250T95.1Very high92.1Very high34 Ų3440.2 Ų40.221%0.20923%0.225CC..BIsolated β-bridgetrans-70.9159.7170.866.60000110.3S248 E252 N253 V254 R282 T283S248-T250 PolarHBondContact O-N 3.32Å; T250-E252 PolarHBondContact O-N 2.9Å; T250-N253 WeakPolarHBondContact O-CB 3.26Å; T250-N253 PolarHBondContact O-N 3.28Å; T250-N253 VanDerWaalsContact O-N 3.09Å; T250-N253 PolarHBondContact OG1-N 3.11Å; T250-N253 PolarHBondContact OG1-OD1 3.18Å; T250-N253 VanDerWaalsContact OG1-OD1 3.04Å; T250-V254 WeakPolarHBondContact O-CG2 3.17Å; T250-V254 PolarHBondContact O-N 3.2Å; T250-R282 CarbonylContact C-O 3.59Å; T250-R282 WeakPolarHBondContact CA-O 3.39Å; T250-T283 HydrophobicContact CG2-CG2 4.49Å
251I96.8Very high92Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-63-31.1173.7-60.9-55.8000110.9V254 K255 L271 L278 E279 D280 R282 L284 Y287I251-V254 PolarHBondContact O-N 3.18Å; I251-K255 VanDerWaalsContact O-CG 3.31Å; I251-K255 WeakPolarHBondContact O-CG 3.42Å; I251-K255 PolarHBondContact O-N 3.48Å; I251-L271 HydrophobicContact CG2-CD1 4.18Å; I251-L278 HydrophobicContact CB-CB 4.5Å; I251-L278 HydrophobicContact CD1-CB 3.91Å; I251-L278 HydrophobicContact CD1-CD1 3.57Å; I251-L278 HydrophobicContact CD1-CG 4.29Å; I251-L278 HydrophobicContact CG1-CB 3.86Å; I251-L278 HydrophobicContact CG1-CD1 4.46Å; I251-L278 HydrophobicContact CG2-CB 3.85Å; I251-E279 VanDerWaalsContact CB-O 3.31Å; I251-E279 WeakPolarHBondContact CB-O 3.2Å; I251-E279 VanDerWaalsContact CG1-O 3.25Å; I251-E279 WeakPolarHBondContact CG1-O 3.41Å; I251-D280 PolarHBondContact N-O 3.03Å; I251-R282 WeakPolarHBondContact CG1-O 3.34Å; I251-R282 PolarHBondContact N-O 2.98Å; I251-L284 HydrophobicContact CD1-CD2 3.93Å; I251-Y287 HydrophobicContact CD1-CD2 4.26Å; I251-Y287 HydrophobicContact CD1-CE2 4.36Å; I251-Y287 HydrophobicContact CG1-CD2 4.39Å; I251-Y287 HydrophobicContact CG1-CE2 4.03Å
252E94.9Very high91.9Very high117 Ų11745.5 Ų45.555%0.54724%0.243SC..Hα-helixtrans-59.5-47.3169.3-169.8171.5-166.500112.1T250 V254 K255 A256 D280T250-E252 PolarHBondContact O-N 2.9Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.44Å; E252-K255 WeakPolarHBondContact O-CB 3.41Å; E252-K255 PolarHBondContact O-N 2.95Å; E252-K255 VanDerWaalsContact O-N 3.1Å; E252-A256 PolarHBondContact O-N 3.43Å; E252-D280 HydrophobicContact CB-CB 4.22Å; E252-D280 PolarHBondContact N-O 3.06Å; E252-D280 VanDerWaalsContact N-O 3.15Å
253N92.7Very high91.5Very high69 Ų6945.8 Ų45.837%0.36926%0.257SS..Hα-helixtrans-58.9-42.4174.9-65-1.7000111.5D249 T250 K255 A256 K257D249-N253 HydrophobicContact CB-CB 4.2Å; D249-N253 PolarHBondContact OD1-ND2 2.68Å; T250-N253 WeakPolarHBondContact O-CB 3.26Å; T250-N253 PolarHBondContact O-N 3.28Å; T250-N253 VanDerWaalsContact O-N 3.09Å; T250-N253 PolarHBondContact OG1-N 3.11Å; T250-N253 PolarHBondContact OG1-OD1 3.18Å; T250-N253 VanDerWaalsContact OG1-OD1 3.04Å; N253-K255 VanDerWaalsContact C-N 3.3Å; N253-K255 PolarHBondContact O-N 3.44Å; N253-A256 PolarHBondContact O-N 2.8Å; N253-K257 WeakPolarHBondContact O-CG 3.27Å; N253-K257 PolarHBondContact O-N 2.73Å
254V95.7Very high91.2Very high0 Ų047 Ų470%026%0.263CS..Hα-helixtrans-63.5-38.9177.7177.60000110.9I231 L243 V245 D249 T250 I251 E252 K257 I258 L271 L284I231-V254 HydrophobicContact CD1-CG1 4.2Å; L243-V254 HydrophobicContact CD1-CG1 3.81Å; V245-V254 HydrophobicContact CG1-CG2 4.23Å; D249-V254 HydrophobicContact CB-CG2 4.36Å; T250-V254 WeakPolarHBondContact O-CG2 3.17Å; T250-V254 PolarHBondContact O-N 3.2Å; I251-V254 PolarHBondContact O-N 3.18Å; E252-V254 VanDerWaalsContact C-N 3.3Å; E252-V254 PolarHBondContact O-N 3.44Å; V254-K257 PolarHBondContact O-N 3.15Å; V254-I258 HydrophobicContact CG1-CD1 4.24Å; V254-I258 WeakPolarHBondContact O-CG1 3.43Å; V254-I258 PolarHBondContact O-N 3.27Å; V254-L271 HydrophobicContact CB-CD1 4.3Å; V254-L271 HydrophobicContact CG1-CD1 3.77Å; V254-L284 HydrophobicContact CG2-CD1 4.02Å; V254-L284 HydrophobicContact CG2-CD2 3.98Å; V254-L284 HydrophobicContact CG2-CG 4.06Å
255K95.3Very high91Very high10 Ų1045.1 Ų45.14%0.04325%0.254CS..Hα-helixtrans-65.9-42.6175.2-72.6170.7163.6-165.80112.3I251 E252 N253 K257 I258 Q259 P266 Q269 L271 D280I251-K255 VanDerWaalsContact O-CG 3.31Å; I251-K255 WeakPolarHBondContact O-CG 3.42Å; I251-K255 PolarHBondContact O-N 3.48Å; E252-K255 WeakPolarHBondContact O-CB 3.41Å; E252-K255 PolarHBondContact O-N 2.95Å; E252-K255 VanDerWaalsContact O-N 3.1Å; N253-K255 VanDerWaalsContact C-N 3.3Å; N253-K255 PolarHBondContact O-N 3.44Å; K255-K257 VanDerWaalsContact C-N 3.31Å; K255-K257 PolarHBondContact O-N 3.12Å; K255-I258 WeakPolarHBondContact O-CB 3.21Å; K255-I258 PolarHBondContact O-N 2.87Å; K255-I258 VanDerWaalsContact O-N 3.12Å; K255-Q259 PolarHBondContact O-N 3.36Å; K255-P266 HydrophobicContact CB-CB 3.8Å; K255-P266 HydrophobicContact CB-CG 4.25Å; K255-P266 HydrophobicContact CD-CB 4.2Å; K255-P266 WeakPolarHBondContact CD-O 3.46Å; K255-P266 WeakPolarHBondContact CE-O 3.44Å; K255-P266 PolarHBondContact NZ-O 3.11Å; K255-Q269 VanDerWaalsContact CA-OE1 3.22Å; K255-Q269 HydrophobicContact CD-CB 4.42Å; K255-Q269 WeakPolarHBondContact CE-O 3.2Å; K255-Q269 HydrophobicContact CG-CB 4.06Å; K255-Q269 PolarHBondContact NZ-O 3.1Å; K255-Q269 PolarHBondContact O-NE2 3.28Å; K255-Q269 PolarHBondContact O-OE1 3.32Å; K255-L271 HydrophobicContact CG-CD1 3.93Å; K255-L271 HydrophobicContact CG-CG 4.46Å; K255-D280 WeakPolarHBondContact CE-OD1 3.22Å; K255-D280 VanDerWaalsContact NZ-CG 3.33Å; K255-D280 IonicContact NZ-OD1 2.69Å; K255-D280 PolarHBondContact NZ-OD1 3.47Å; K255-D280 IonicContact NZ-OD2 3.18Å; K255-D280 PolarHBondContact NZ-OD2 3.08Å
256A92Very high90.9Very high35 Ų3545.9 Ų45.929%0.28926%0.259SS..Hα-helixtrans-57.7-45.7172.900000110.7E252 N253 I258 Q259 D260E252-A256 PolarHBondContact O-N 3.43Å; N253-A256 PolarHBondContact O-N 2.8Å; A256-I258 VanDerWaalsContact C-N 3.27Å; A256-I258 PolarHBondContact O-N 3.43Å; A256-Q259 CarbonylContact O-C 3.6Å; A256-Q259 WeakPolarHBondContact O-CA 3.26Å; A256-Q259 VanDerWaalsContact O-CB 3.27Å; A256-Q259 WeakPolarHBondContact O-CB 3.43Å; A256-Q259 PolarHBondContact O-N 2.79Å; A256-D260 VanDerWaalsContact O-CG 3.25Å; A256-D260 PolarHBondContact O-N 2.86Å
257K93.1Very high90.7Very high39 Ų3946.2 Ų46.217%0.1726%0.263CS..Hα-helixtrans-60.1-33.2175.2-68.7167.6-173.9-94.90113.5L243 E244 V245 D249 N253 V254 K255 K261L243-K257 HydrophobicContact CD2-CB 4.34Å; E244-K257 PolarHBondContact O-NZ 3.17Å; V245-K257 HydrophobicContact CG1-CD 4.09Å; D249-K257 VanDerWaalsContact OD2-CE 3.23Å; D249-K257 WeakPolarHBondContact OD2-CE 3.47Å; D249-K257 IonicContact OD2-NZ 3.8Å; N253-K257 WeakPolarHBondContact O-CG 3.27Å; N253-K257 PolarHBondContact O-N 2.73Å; V254-K257 PolarHBondContact O-N 3.15Å; K255-K257 VanDerWaalsContact C-N 3.31Å; K255-K257 PolarHBondContact O-N 3.12Å; K257-K261 WeakPolarHBondContact O-CG 3.42Å; K257-K261 PolarHBondContact O-N 3.34Å
258I93.4Very high90.6Very high0 Ų044.7 Ų44.70%025%0.25CC..Hα-helixtrans-72.6-39.4173.6-66.9162000110.6V233 L243 V254 K255 A256 D260 K261 E262 I264 Q269 L271 L297V233-I258 HydrophobicContact CG1-CD1 4.18Å; V233-I258 HydrophobicContact CG2-CD1 4.18Å; L243-I258 HydrophobicContact CD1-CD1 4.03Å; L243-I258 HydrophobicContact CD1-CG1 3.53Å; L243-I258 HydrophobicContact CD2-CG1 4.28Å; L243-I258 HydrophobicContact CG-CG1 4.47Å; V254-I258 HydrophobicContact CG1-CD1 4.24Å; V254-I258 WeakPolarHBondContact O-CG1 3.43Å; V254-I258 PolarHBondContact O-N 3.27Å; K255-I258 WeakPolarHBondContact O-CB 3.21Å; K255-I258 PolarHBondContact O-N 2.87Å; K255-I258 VanDerWaalsContact O-N 3.12Å; A256-I258 VanDerWaalsContact C-N 3.27Å; A256-I258 PolarHBondContact O-N 3.43Å; I258-D260 VanDerWaalsContact C-N 3.33Å; I258-K261 PolarHBondContact O-N 3.03Å; I258-E262 HydrophobicContact CG2-CB 4.45Å; I258-E262 WeakPolarHBondContact O-CB 3.42Å; I258-E262 PolarHBondContact O-N 3.06Å; I258-I264 HydrophobicContact CG2-CD1 4.44Å; I258-Q269 VanDerWaalsContact CB-OE1 3.28Å; I258-Q269 HydrophobicContact CG2-CG 4.47Å; I258-L271 HydrophobicContact CD1-CD1 4.02Å; I258-L271 HydrophobicContact CD1-CD2 3.69Å; I258-L271 HydrophobicContact CD1-CG 4.36Å; I258-L297 HydrophobicContact CG2-CD2 4.11Å
259Q90.6Very high90.7Very high44 Ų4441.2 Ų41.221%0.20623%0.225CC..Hα-helixtrans-59.9-46.2174.7-177.3-176.510.500110.6K255 A256 K261 G263 I264 P266K255-Q259 PolarHBondContact O-N 3.36Å; A256-Q259 CarbonylContact O-C 3.6Å; A256-Q259 WeakPolarHBondContact O-CA 3.26Å; A256-Q259 VanDerWaalsContact O-CB 3.27Å; A256-Q259 WeakPolarHBondContact O-CB 3.43Å; A256-Q259 PolarHBondContact O-N 2.79Å; Q259-K261 PolarHBondContact O-N 3.36Å; Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 3.15Å; Q259-I264 VanDerWaalsContact CA-O 3.26Å; Q259-I264 WeakPolarHBondContact CA-O 3.25Å; Q259-I264 WeakPolarHBondContact CB-O 3.31Å; Q259-I264 WeakPolarHBondContact CG-O 3.1Å; Q259-P266 HydrophobicContact CB-CG 4.48Å; Q259-P266 VanDerWaalsContact CD-CD 3.49Å
260D84.9Confident90.8Very high131 Ų13145.7 Ų45.770%0.70124%0.242SC*.Hα-helixtrans-62-34.4179.2-62.1-25.9000112A256 I258A256-D260 VanDerWaalsContact O-CG 3.25Å; A256-D260 PolarHBondContact O-N 2.86Å; I258-D260 VanDerWaalsContact C-N 3.33Å
261K88.7Confident90.8Very high120 Ų12044.1 Ų44.152%0.52223%0.232SC..Hα-helixtrans-86.3-35.4-179.3-74.8-156.8179.4-159.20115I241 T242 L243 K257 I258 Q259I241-K261 HydrophobicContact CG2-CD 4.21Å; T242-K261 PolarHBondContact O-NZ 3.09Å; L243-K261 HydrophobicContact CD2-CD 3.86Å; K257-K261 WeakPolarHBondContact O-CG 3.42Å; K257-K261 PolarHBondContact O-N 3.34Å; I258-K261 PolarHBondContact O-N 3.03Å; Q259-K261 PolarHBondContact O-N 3.36Å
262E88.9Confident90.8Very high64 Ų6446 Ų4630%0.29924%0.241SC..Hα-helixtrans-122.5-3.3-168.2-61.3-73.1138.800113K239 I241 I258 I264K239-E262 WeakPolarHBondContact CE-OE1 3.47Å; K239-E262 IonicContact NZ-OE1 3.8Å; K239-E262 PolarHBondContact NZ-OE1 2.82Å; K239-E262 IonicContact NZ-OE2 3.02Å; K239-E262 PolarHBondContact NZ-OE2 2.87Å; I241-E262 HydrophobicContact CD1-CG 3.62Å; I241-E262 HydrophobicContact CG1-CG 4.04Å; I241-E262 HydrophobicContact CG2-CG 4.45Å; I258-E262 HydrophobicContact CG2-CB 4.45Å; I258-E262 WeakPolarHBondContact O-CB 3.42Å; I258-E262 PolarHBondContact O-N 3.06Å; E262-I264 HydrophobicContact CB-CD1 3.64Å; E262-I264 HydrophobicContact CB-CG1 3.97Å; E262-I264 HydrophobicContact CG-CD1 4.47Å; E262-I264 PolarHBondContact O-N 3.33Å
263G84.9Confident90.9Very high59 Ų5942.5 Ų42.561%0.60823%0.225SC*.  trans70.711.4-178.700000114.4Q259 P265Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 3.15Å; G263-P265 WeakPolarHBondContact O-CD 3.48Å
264I85.4Confident90.9Very high26 Ų2643.4 Ų43.413%0.13324%0.241CC..  trans-89.5119-174.4-57.8161.2000109.4I258 Q259 E262 Q268 Q269 L297 L299I258-I264 HydrophobicContact CG2-CD1 4.44Å; Q259-I264 VanDerWaalsContact CA-O 3.26Å; Q259-I264 WeakPolarHBondContact CA-O 3.25Å; Q259-I264 WeakPolarHBondContact CB-O 3.31Å; Q259-I264 WeakPolarHBondContact CG-O 3.1Å; E262-I264 HydrophobicContact CB-CD1 3.64Å; E262-I264 HydrophobicContact CB-CG1 3.97Å; E262-I264 HydrophobicContact CG-CD1 4.47Å; E262-I264 PolarHBondContact O-N 3.33Å; I264-Q268 HydrophobicContact CG2-CB 4.39Å; I264-Q269 HydrophobicContact CB-CG 4.33Å; I264-Q269 HydrophobicContact CG2-CG 3.61Å; I264-Q269 PolarHBondContact O-NE2 2.91Å; I264-L297 HydrophobicContact CD1-CD2 4.07Å; I264-L299 HydrophobicContact CD1-CD2 4.09Å; I264-L299 HydrophobicContact CG2-CD2 3.6Å
265P85.7Confident90.7Very high8 Ų847.1 Ų47.15%0.05228%0.28CS..  trans-60.5138.8179.3-26.937000114G263 D267 Q268 Q269 E320G263-P265 WeakPolarHBondContact O-CD 3.48Å; P265-D267 VanDerWaalsContact C-N 3.27Å; P265-D267 VanDerWaalsContact CB-OD1 3.26Å; P265-D267 WeakPolarHBondContact CB-OD1 3.42Å; P265-D267 PolarHBondContact O-N 2.94Å; P265-Q268 HydrophobicContact CB-CG 4.32Å; P265-Q268 WeakPolarHBondContact O-CB 3.34Å; P265-Q268 PolarHBondContact O-N 3.3Å; P265-Q269 WeakPolarHBondContact O-CG 3.35Å; P265-Q269 PolarHBondContact O-N 2.9Å; P265-E320 HydrophobicContact CG-CB 4.18Å
266P89.2Confident90.7Very high19 Ų1953.7 Ų53.712%0.12331%0.309CS..THydrogen-bonded Turntrans-51.5-35.3-179-3335.9000116.1K255 Q259 Q268 Q269 E322K255-P266 HydrophobicContact CB-CB 3.8Å; K255-P266 HydrophobicContact CB-CG 4.25Å; K255-P266 HydrophobicContact CD-CB 4.2Å; K255-P266 WeakPolarHBondContact CD-O 3.46Å; K255-P266 WeakPolarHBondContact CE-O 3.44Å; K255-P266 PolarHBondContact NZ-O 3.11Å; Q259-P266 HydrophobicContact CB-CG 4.48Å; Q259-P266 VanDerWaalsContact CD-CD 3.49Å; P266-Q268 VanDerWaalsContact C-N 3.31Å; P266-Q268 PolarHBondContact O-N 3.3Å; P266-Q269 PolarHBondContact O-N 3.44Å; P266-E322 WeakPolarHBondContact CD-OE1 3.31Å
267D84.4Confident90.8Very high48 Ų4855.9 Ų55.926%0.25731%0.313SS..THydrogen-bonded Turntrans-70.6-26179.168.8-22.1000113.5P265 G304P265-D267 VanDerWaalsContact C-N 3.27Å; P265-D267 VanDerWaalsContact CB-OD1 3.26Å; P265-D267 WeakPolarHBondContact CB-OD1 3.42Å; P265-D267 PolarHBondContact O-N 2.94Å; D267-G304 VanDerWaalsContact OD2-CA 3.23Å; D267-G304 WeakPolarHBondContact OD2-CA 3.3Å
268Q88.2Confident90.9Very high34 Ų3454.2 Ų54.216%0.15931%0.306CS..THydrogen-bonded Turntrans-81.9-18.9172.4-61.7-172.61.100112.7I264 P265 P266 R300 E320I264-Q268 HydrophobicContact CG2-CB 4.39Å; P265-Q268 HydrophobicContact CB-CG 4.32Å; P265-Q268 WeakPolarHBondContact O-CB 3.34Å; P265-Q268 PolarHBondContact O-N 3.3Å; P266-Q268 VanDerWaalsContact C-N 3.31Å; P266-Q268 PolarHBondContact O-N 3.3Å; Q268-R300 PolarHBondContact O-N 2.87Å; Q268-E320 PolarHBondContact NE2-OE2 3.09Å
269Q92.5Very high91Very high1 Ų159 Ų591%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-82.5124.4-178.2-62.5179.138.100111.8K255 I258 I264 P265 P266 L297K255-Q269 VanDerWaalsContact CA-OE1 3.22Å; K255-Q269 HydrophobicContact CD-CB 4.42Å; K255-Q269 WeakPolarHBondContact CE-O 3.2Å; K255-Q269 HydrophobicContact CG-CB 4.06Å; K255-Q269 PolarHBondContact NZ-O 3.1Å; K255-Q269 PolarHBondContact O-NE2 3.28Å; K255-Q269 PolarHBondContact O-OE1 3.32Å; I258-Q269 VanDerWaalsContact CB-OE1 3.28Å; I258-Q269 HydrophobicContact CG2-CG 4.47Å; I264-Q269 HydrophobicContact CB-CG 4.33Å; I264-Q269 HydrophobicContact CG2-CG 3.61Å; I264-Q269 PolarHBondContact O-NE2 2.91Å; P265-Q269 WeakPolarHBondContact O-CG 3.35Å; P265-Q269 PolarHBondContact O-N 2.9Å; P266-Q269 PolarHBondContact O-N 3.44Å; Q269-L297 HydrophobicContact CB-CD1 3.77Å; Q269-L297 HydrophobicContact CG-CD1 3.98Å
270R93.4Very high91.1Very high101 Ų10160.1 Ų60.138%0.38134%0.336SS..EExtended strand (participates in β ladder)trans-113.8103.8167.7-169.8-173.8-170-172.71.1109.5I272 Q277 V298R270-I272 HydrophobicContact CG-CG1 4.39Å; R270-Q277 HydrophobicContact CG-CG 4.03Å; R270-V298 WeakPolarHBondContact CA-O 3.36Å; R270-V298 HydrophobicContact CB-CB 4.22Å; R270-V298 WeakPolarHBondContact CB-O 3.47Å; R270-V298 PolarHBondContact N-O 3.49Å; R270-V298 PolarHBondContact O-N 3.23Å
271L96.5Very high91.3Very high2 Ų257.2 Ų57.21%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-86.2133.9175.2-63.6178.3000110.8V233 I251 V254 K255 I258 L278 L295 H296 L297V233-L271 HydrophobicContact CG1-CD2 4.09Å; I251-L271 HydrophobicContact CG2-CD1 4.18Å; V254-L271 HydrophobicContact CB-CD1 4.3Å; V254-L271 HydrophobicContact CG1-CD1 3.77Å; K255-L271 HydrophobicContact CG-CD1 3.93Å; K255-L271 HydrophobicContact CG-CG 4.46Å; I258-L271 HydrophobicContact CD1-CD1 4.02Å; I258-L271 HydrophobicContact CD1-CD2 3.69Å; I258-L271 HydrophobicContact CD1-CG 4.36Å; L271-L278 HydrophobicContact CB-CB 4.33Å; L271-L278 HydrophobicContact CB-CD1 4.08Å; L271-L278 HydrophobicContact CB-CG 4.38Å; L271-L278 PolarHBondContact O-N 3.17Å; L271-L295 HydrophobicContact CD1-CD2 4.36Å; L271-H296 WeakPolarHBondContact CA-O 3.26Å; L271-L297 HydrophobicContact CD2-CB 4.21Å; L271-L297 HydrophobicContact CD2-CD1 3.9Å
272I97.1Very high91.5Very high38 Ų3856.5 Ų56.520%0.19533%0.331CS..EExtended strand (participates in β ladder)trans-129.8131.5-177.6-57.4169.4000108.7R270 K276 H296 V298R270-I272 HydrophobicContact CG-CG1 4.39Å; I272-K276 CarbonylContact C-O 3.55Å; I272-K276 VanDerWaalsContact CA-O 3.29Å; I272-K276 WeakPolarHBondContact CA-O 3.42Å; I272-H296 HydrophobicContact CB-CB 4.31Å; I272-H296 PolarHBondContact N-O 2.92Å; I272-H296 PolarHBondContact O-N 3.18Å; I272-V298 HydrophobicContact CD1-CB 4.4Å; I272-V298 HydrophobicContact CD1-CG2 3.7Å
273F97.2Very high91.7Very high45 Ų4554.9 Ų54.920%0.19733%0.325CS..EExtended strand (participates in β ladder)trans-138.4137.4174.7-178.1-111.3000109.9G275 K276 L278 I289 L295F273-G275 PolarHBondContact O-N 3.45Å; F273-G275 VanDerWaalsContact O-N 3.09Å; F273-K276 PolarHBondContact N-O 2.89Å; F273-K276 PolarHBondContact O-N 3.25Å; F273-K276 VanDerWaalsContact O-O 3.13Å; F273-L278 HydrophobicContact CB-CD1 4.09Å; F273-L278 HydrophobicContact CB-CD2 3.86Å; F273-L278 HydrophobicContact CB-CG 4.24Å; F273-I289 HydrophobicContact CB-CD1 4.37Å; F273-I289 HydrophobicContact CD1-CD1 4.12Å; F273-I289 HydrophobicContact CD1-CG1 3.61Å; F273-I289 HydrophobicContact CD2-CG1 4.37Å; F273-I289 HydrophobicContact CE1-CG1 3.67Å; F273-I289 HydrophobicContact CE2-CG1 4.42Å; F273-I289 HydrophobicContact CG-CD1 4.18Å; F273-I289 HydrophobicContact CG-CG1 3.98Å; F273-I289 HydrophobicContact CZ-CG1 4.09Å; F273-L295 HydrophobicContact CB-CG 4.29Å; F273-L295 HydrophobicContact CD2-CD1 4.05Å; F273-L295 HydrophobicContact CD2-CG 4.41Å
274A92.6Very high92.2Very high87 Ų8752.1 Ų52.172%0.71930%0.296SS*.THydrogen-bonded Turntrans4839.3-178.300000113.8K276A274-K276 PolarHBondContact O-N 3.02Å
275G91.5Very high92.6Very high79 Ų7953.7 Ų53.781%0.81431%0.31SS*.THydrogen-bonded Turntrans74.1-0.4-178.200000115.5F273F273-G275 PolarHBondContact O-N 3.45Å; F273-G275 VanDerWaalsContact O-N 3.09Å
276K93.6Very high93Very high147 Ų14757.9 Ų57.964%0.63933%0.332SS*.EExtended strand (participates in β ladder)trans-104.3137.8178.2-65.1-177.3-179.8178.50110.8I272 F273 A274I272-K276 CarbonylContact C-O 3.55Å; I272-K276 VanDerWaalsContact CA-O 3.29Å; I272-K276 WeakPolarHBondContact CA-O 3.42Å; F273-K276 PolarHBondContact N-O 2.89Å; F273-K276 PolarHBondContact O-N 3.25Å; F273-K276 VanDerWaalsContact O-O 3.13Å; A274-K276 PolarHBondContact O-N 3.02Å
277Q94.9Very high93.3Very high81 Ų8158.7 Ų58.738%0.37933%0.333SS..EExtended strand (participates in β ladder)trans-71.4134.2167.2178.5-178.7-30.200108.9R270R270-Q277 HydrophobicContact CG-CG 4.03Å
278L96.3Very high93.8Very high5 Ų562.1 Ų62.13%0.02635%0.351CS..  trans-82.5145.6178.1-54.7-174.2000110.7I251 L271 F273 Y287 I289 L295I251-L278 HydrophobicContact CB-CB 4.5Å; I251-L278 HydrophobicContact CD1-CB 3.91Å; I251-L278 HydrophobicContact CD1-CD1 3.57Å; I251-L278 HydrophobicContact CD1-CG 4.29Å; I251-L278 HydrophobicContact CG1-CB 3.86Å; I251-L278 HydrophobicContact CG1-CD1 4.46Å; I251-L278 HydrophobicContact CG2-CB 3.85Å; L271-L278 HydrophobicContact CB-CB 4.33Å; L271-L278 HydrophobicContact CB-CD1 4.08Å; L271-L278 HydrophobicContact CB-CG 4.38Å; L271-L278 PolarHBondContact O-N 3.17Å; F273-L278 HydrophobicContact CB-CD1 4.09Å; F273-L278 HydrophobicContact CB-CD2 3.86Å; F273-L278 HydrophobicContact CB-CG 4.24Å; L278-Y287 HydrophobicContact CB-CE2 4.21Å; L278-Y287 HydrophobicContact CD2-CD1 3.69Å; L278-Y287 HydrophobicContact CD2-CD2 3.73Å; L278-Y287 HydrophobicContact CD2-CE1 3.78Å; L278-Y287 HydrophobicContact CD2-CE2 3.81Å; L278-Y287 HydrophobicContact CD2-CG 3.66Å; L278-I289 HydrophobicContact CD1-CD1 3.82Å; L278-L295 HydrophobicContact CD1-CD2 3.58Å; L278-L295 HydrophobicContact CD1-CG 4.13Å
279E95Very high94Very high101 Ų10160.6 Ų60.647%0.47234%0.344SS..  trans-104.3134-178.4-66172-175.600110.4I251 G281 R282 Y287I251-E279 VanDerWaalsContact CB-O 3.31Å; I251-E279 WeakPolarHBondContact CB-O 3.2Å; I251-E279 VanDerWaalsContact CG1-O 3.25Å; I251-E279 WeakPolarHBondContact CG1-O 3.41Å; E279-G281 PolarHBondContact O-N 3.28Å; E279-R282 HydrophobicContact CB-CG 4.3Å; E279-R282 PolarHBondContact O-N 3.24Å; E279-R282 VanDerWaalsContact O-N 3.11Å; E279-R282 IonicContact OE1-NH2 2.68Å; E279-R282 IonicContact OE2-CZ 3.29Å; E279-R282 VanDerWaalsContact OE2-CZ 3.23Å; E279-R282 IonicContact OE2-NE 2.77Å; E279-R282 PolarHBondContact OE2-NE 2.88Å; E279-R282 IonicContact OE2-NH2 2.99Å; E279-R282 PolarHBondContact OE2-NH2 3.22Å; E279-Y287 WeakPolarHBondContact CB-OH 3.39Å; E279-Y287 PolarHBondContact N-OH 3.37Å
280D91.6Very high94Very high67 Ų6765.9 Ų65.936%0.35837%0.368SS..THydrogen-bonded Turntrans-55.4-44-169.6-66.7-11.3000113.6I251 E252 K255 R282I251-D280 PolarHBondContact N-O 3.03Å; E252-D280 HydrophobicContact CB-CB 4.22Å; E252-D280 PolarHBondContact N-O 3.06Å; E252-D280 VanDerWaalsContact N-O 3.15Å; K255-D280 WeakPolarHBondContact CE-OD1 3.22Å; K255-D280 VanDerWaalsContact NZ-CG 3.33Å; K255-D280 IonicContact NZ-OD1 2.69Å; K255-D280 PolarHBondContact NZ-OD1 3.47Å; K255-D280 IonicContact NZ-OD2 3.18Å; K255-D280 PolarHBondContact NZ-OD2 3.08Å; D280-R282 VanDerWaalsContact C-N 3.29Å; D280-R282 PolarHBondContact O-N 3.29Å
281G89.6Confident93.9Very high70 Ų7066 Ų6672%0.72237%0.372SS*.THydrogen-bonded Turntrans-79.72.2-177.800000116.1E279E279-G281 PolarHBondContact O-N 3.28Å
282R93Very high93.8Very high105 Ų10572.2 Ų72.240%0.39640%0.401SS..SBendtrans-99.2156.8175.1-64.7-158.6-156.9-167.80.8111T250 I251 E279 D280 D286 Y287T250-R282 CarbonylContact C-O 3.59Å; T250-R282 WeakPolarHBondContact CA-O 3.39Å; I251-R282 WeakPolarHBondContact CG1-O 3.34Å; I251-R282 PolarHBondContact N-O 2.98Å; E279-R282 HydrophobicContact CB-CG 4.3Å; E279-R282 PolarHBondContact O-N 3.24Å; E279-R282 VanDerWaalsContact O-N 3.11Å; E279-R282 IonicContact OE1-NH2 2.68Å; E279-R282 IonicContact OE2-CZ 3.29Å; E279-R282 VanDerWaalsContact OE2-CZ 3.23Å; E279-R282 IonicContact OE2-NE 2.77Å; E279-R282 PolarHBondContact OE2-NE 2.88Å; E279-R282 IonicContact OE2-NH2 2.99Å; E279-R282 PolarHBondContact OE2-NH2 3.22Å; D280-R282 VanDerWaalsContact C-N 3.29Å; D280-R282 PolarHBondContact O-N 3.29Å; R282-D286 HydrophobicContact CB-CB 4.25Å; R282-Y287 HydrophobicContact CB-CD2 4.34Å; R282-Y287 HydrophobicContact CB-CE2 3.58Å; R282-Y287 WeakPolarHBondContact CD-OH 3.49Å; R282-Y287 HydrophobicContact CG-CE2 4.31Å
283T93.8Very high93.8Very high30 Ų3071.4 Ų71.418%0.18440%0.398CS..BIsolated β-bridgetrans-89.1164.4178.366.40000112.5S248 D249 T250 S285 D286 Y287S248-T283 VanDerWaalsContact O-CG2 3.3Å; S248-T283 WeakPolarHBondContact O-CG2 3.43Å; D249-T283 CarbonylContact O-C 3.52Å; D249-T283 WeakPolarHBondContact O-CA 3.2Å; T250-T283 HydrophobicContact CG2-CG2 4.49Å; T283-S285 PolarHBondContact O-N 3.03Å; T283-D286 PolarHBondContact N-OD2 3.12Å; T283-D286 PolarHBondContact O-N 3.46Å; T283-D286 PolarHBondContact OG1-N 2.8Å; T283-D286 VanDerWaalsContact OG1-N 3.12Å; T283-D286 PolarHBondContact OG1-OD2 3.27Å; T283-Y287 WeakPolarHBondContact O-CD2 3.3Å
284L95.1Very high93.8Very high0 Ų071.4 Ų71.40%040%0.402CS..THydrogen-bonded Turntrans-58-39.8169.2-71.6-176.3000111.8M229 I231 V245 D249 I251 V254 D286 Y287 N288 I289M229-L284 HydrophobicContact CE-CD1 4.43Å; I231-L284 HydrophobicContact CD1-CD1 4.24Å; I231-L284 HydrophobicContact CD1-CD2 4.36Å; V245-L284 HydrophobicContact CB-CD1 3.56Å; V245-L284 HydrophobicContact CG1-CD1 4.12Å; V245-L284 HydrophobicContact CG2-CD1 3.43Å; V245-L284 VanDerWaalsContact CG2-CD1 3.43Å; D249-L284 HydrophobicContact CB-CD1 4.29Å; D249-L284 HydrophobicContact CB-CG 4.49Å; D249-L284 PolarHBondContact O-N 2.87Å; I251-L284 HydrophobicContact CD1-CD2 3.93Å; V254-L284 HydrophobicContact CG2-CD1 4.02Å; V254-L284 HydrophobicContact CG2-CD2 3.98Å; V254-L284 HydrophobicContact CG2-CG 4.06Å; L284-D286 PolarHBondContact O-N 3.31Å; L284-Y287 PolarHBondContact O-N 2.9Å; L284-N288 PolarHBondContact O-N 3.11Å; L284-I289 HydrophobicContact CB-CB 4.22Å; L284-I289 HydrophobicContact CD2-CB 4.1Å; L284-I289 HydrophobicContact CD2-CD1 3.56Å; L284-I289 HydrophobicContact CD2-CG1 4.42Å; L284-I289 HydrophobicContact CD2-CG2 4.02Å; L284-I289 WeakPolarHBondContact O-CB 3.43Å; L284-I289 PolarHBondContact O-N 3.34Å
285S94.2Very high94Very high59 Ų5967.2 Ų67.241%0.41337%0.368SS..G310 helixtrans-61.7-38.9176.4-171.20000112.6P247 T283 Y287 N288P247-S285 WeakPolarHBondContact O-CB 3.22Å; P247-S285 PolarHBondContact O-N 3.46Å; T283-S285 PolarHBondContact O-N 3.03Å; S285-Y287 PolarHBondContact O-N 3.29Å; S285-Y287 VanDerWaalsContact O-N 3.15Å; S285-N288 WeakPolarHBondContact O-CA 3.27Å; S285-N288 PolarHBondContact O-N 3.32Å
286D94.1Very high94.3Very high96 Ų9668.2 Ų68.251%0.51335%0.351SS..G310 helixtrans-60.4-28.1177.9-65.6-41.1000112.9R282 T283 L284R282-D286 HydrophobicContact CB-CB 4.25Å; T283-D286 PolarHBondContact N-OD2 3.12Å; T283-D286 PolarHBondContact O-N 3.46Å; T283-D286 PolarHBondContact OG1-N 2.8Å; T283-D286 VanDerWaalsContact OG1-N 3.12Å; T283-D286 PolarHBondContact OG1-OD2 3.27Å; L284-D286 PolarHBondContact O-N 3.31Å
287Y94.7Very high94.4Very high37 Ų3761.4 Ų61.415%0.14532%0.321CS..G310 helixtrans-94.94.8175.1-69.1-71.2000113.5I251 L278 E279 R282 T283 L284 S285 I289I251-Y287 HydrophobicContact CD1-CD2 4.26Å; I251-Y287 HydrophobicContact CD1-CE2 4.36Å; I251-Y287 HydrophobicContact CG1-CD2 4.39Å; I251-Y287 HydrophobicContact CG1-CE2 4.03Å; L278-Y287 HydrophobicContact CB-CE2 4.21Å; L278-Y287 HydrophobicContact CD2-CD1 3.69Å; L278-Y287 HydrophobicContact CD2-CD2 3.73Å; L278-Y287 HydrophobicContact CD2-CE1 3.78Å; L278-Y287 HydrophobicContact CD2-CE2 3.81Å; L278-Y287 HydrophobicContact CD2-CG 3.66Å; E279-Y287 WeakPolarHBondContact CB-OH 3.39Å; E279-Y287 PolarHBondContact N-OH 3.37Å; R282-Y287 HydrophobicContact CB-CD2 4.34Å; R282-Y287 HydrophobicContact CB-CE2 3.58Å; R282-Y287 WeakPolarHBondContact CD-OH 3.49Å; R282-Y287 HydrophobicContact CG-CE2 4.31Å; T283-Y287 WeakPolarHBondContact O-CD2 3.3Å; L284-Y287 PolarHBondContact O-N 2.9Å; S285-Y287 PolarHBondContact O-N 3.29Å; S285-Y287 VanDerWaalsContact O-N 3.15Å; Y287-I289 HydrophobicContact CG-CD1 4.5Å; Y287-I289 PolarHBondContact O-N 2.93Å
288N94Very high94.2Very high120 Ų12059.4 Ų59.464%0.64232%0.315SS*.THydrogen-bonded Turntrans51.335-171.3-66.1-49.5000112.6L284 S285 Q290L284-N288 PolarHBondContact O-N 3.11Å; S285-N288 WeakPolarHBondContact O-CA 3.27Å; S285-N288 PolarHBondContact O-N 3.32Å; N288-Q290 PolarHBondContact O-N 3.13Å
289I94.1Very high93.9Very high1 Ų163 Ų631%0.00533%0.334CS..  trans-73.2119.1174.1-65.6165.7000106.8M229 I231 F273 L278 L284 Y287 L295M229-I289 VanDerWaalsContact CE-O 3.24Å; M229-I289 WeakPolarHBondContact CE-O 3.24Å; I231-I289 HydrophobicContact CG2-CG2 3.92Å; F273-I289 HydrophobicContact CB-CD1 4.37Å; F273-I289 HydrophobicContact CD1-CD1 4.12Å; F273-I289 HydrophobicContact CD1-CG1 3.61Å; F273-I289 HydrophobicContact CD2-CG1 4.37Å; F273-I289 HydrophobicContact CE1-CG1 3.67Å; F273-I289 HydrophobicContact CE2-CG1 4.42Å; F273-I289 HydrophobicContact CG-CD1 4.18Å; F273-I289 HydrophobicContact CG-CG1 3.98Å; F273-I289 HydrophobicContact CZ-CG1 4.09Å; L278-I289 HydrophobicContact CD1-CD1 3.82Å; L284-I289 HydrophobicContact CB-CB 4.22Å; L284-I289 HydrophobicContact CD2-CB 4.1Å; L284-I289 HydrophobicContact CD2-CD1 3.56Å; L284-I289 HydrophobicContact CD2-CG1 4.42Å; L284-I289 HydrophobicContact CD2-CG2 4.02Å; L284-I289 WeakPolarHBondContact O-CB 3.43Å; L284-I289 PolarHBondContact O-N 3.34Å; Y287-I289 HydrophobicContact CG-CD1 4.5Å; Y287-I289 PolarHBondContact O-N 2.93Å; I289-L295 HydrophobicContact CD1-CD1 4.17Å; I289-L295 HydrophobicContact CD1-CD2 4.38Å; I289-L295 HydrophobicContact CD1-CG 4.49Å; I289-L295 HydrophobicContact CG2-CD1 3.95Å
290Q92.7Very high93.2Very high112 Ų11263.4 Ų63.452%0.52333%0.331SS..  trans-105.4171-177.4-61.3-57.8-41.400110.9N288 E292 S293N288-Q290 PolarHBondContact O-N 3.13Å; Q290-E292 PolarHBondContact O-N 3.38Å; Q290-S293 PolarHBondContact N-OG 2.77Å; Q290-S293 WeakPolarHBondContact O-CB 3.48Å; Q290-S293 PolarHBondContact O-N 3.12Å; Q290-S293 PolarHBondContact O-OG 2.79Å
291K91.3Very high92Very high105 Ų10567.9 Ų67.946%0.45735%0.354SS..THydrogen-bonded Turntrans-47.2138.4168.2-179.5166.2-179.4156.90111G228 M229 S293G228-K291 PolarHBondContact O-NZ 3.44Å; G228-K291 VanDerWaalsContact O-NZ 3.13Å; M229-K291 HydrophobicContact CG-CB 4.15Å; K291-S293 PolarHBondContact O-N 3.24Å
292E93.5Very high90.6Very high131 Ų13175.5 Ų75.561%0.61236%0.361SS*.THydrogen-bonded Turntrans64.88.5-177.2-65.4169-164.400115.6Q230 F232 Q290Q230-E292 PolarHBondContact O-N 2.81Å; F232-E292 WeakPolarHBondContact CD2-O 3.48Å; F232-E292 HydrophobicContact CE2-CB 3.93Å; F232-E292 HydrophobicContact CE2-CG 4.02Å; Q290-E292 PolarHBondContact O-N 3.38Å
293S96.9Very high89.1Confident21 Ų2172.8 Ų72.815%0.14737%0.366CS..  trans-61.8145.9171.8-65.30000111.4F232 Q290 K291F232-S293 PolarHBondContact N-O 3.34Å; Q290-S293 PolarHBondContact N-OG 2.77Å; Q290-S293 WeakPolarHBondContact O-CB 3.48Å; Q290-S293 PolarHBondContact O-N 3.12Å; Q290-S293 PolarHBondContact O-OG 2.79Å; K291-S293 PolarHBondContact O-N 3.24Å
294T97Very high88.2Confident45 Ų4571.5 Ų71.528%0.27636%0.358SS..EExtended strand (participates in β ladder)trans-110.9118.2177.2-58.10000111.2F232 K234F232-T294 HydrophobicContact CB-CG2 4.3Å; F232-T294 CarbonylContact O-C 3.46Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.31Å; K234-T294 HydrophobicContact CB-CG2 4.28Å; K234-T294 HydrophobicContact CD-CG2 3.75Å; K234-T294 HydrophobicContact CG-CG2 3.71Å
295L97.6Very high87.9Confident0 Ų072.6 Ų72.60%036%0.363CS..EExtended strand (participates in β ladder)trans-92.4156.2169.7-75.861.4000109.3I231 F232 V233 K234 L271 F273 L278 I289I231-L295 HydrophobicContact CD1-CD1 4.16Å; I231-L295 HydrophobicContact CD1-CD2 4.18Å; F232-L295 PolarHBondContact O-N 2.87Å; V233-L295 CarbonylContact C-O 3.6Å; V233-L295 WeakPolarHBondContact CA-O 3.42Å; V233-L295 HydrophobicContact CG2-CB 4.31Å; K234-L295 PolarHBondContact N-O 2.81Å; L271-L295 HydrophobicContact CD1-CD2 4.36Å; F273-L295 HydrophobicContact CB-CG 4.29Å; F273-L295 HydrophobicContact CD2-CD1 4.05Å; F273-L295 HydrophobicContact CD2-CG 4.41Å; L278-L295 HydrophobicContact CD1-CD2 3.58Å; L278-L295 HydrophobicContact CD1-CG 4.13Å; I289-L295 HydrophobicContact CD1-CD1 4.17Å; I289-L295 HydrophobicContact CD1-CD2 4.38Å; I289-L295 HydrophobicContact CD1-CG 4.49Å; I289-L295 HydrophobicContact CG2-CD1 3.95Å
296H97.3Very high87.7Confident100 Ų10072.4 Ų72.446%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-109.2130.3172.6-65.373.9000109.5K234 L271 I272K234-H296 WeakPolarHBondContact O-CA 3.34Å; L271-H296 WeakPolarHBondContact CA-O 3.26Å; I272-H296 HydrophobicContact CB-CB 4.31Å; I272-H296 PolarHBondContact N-O 2.92Å; I272-H296 PolarHBondContact O-N 3.18Å
297L95.2Very high87.7Confident3 Ų367.9 Ų67.92%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-100.6120.3175.3175.563.2000110V233 K234 T235 I258 I264 Q269 L271 L299V233-L297 HydrophobicContact CG1-CB 3.52Å; V233-L297 HydrophobicContact CG1-CD2 4.39Å; K234-L297 PolarHBondContact O-N 2.78Å; T235-L297 HydrophobicContact CG2-CD2 4.48Å; I258-L297 HydrophobicContact CG2-CD2 4.11Å; I264-L297 HydrophobicContact CD1-CD2 4.07Å; Q269-L297 HydrophobicContact CB-CD1 3.77Å; Q269-L297 HydrophobicContact CG-CD1 3.98Å; L271-L297 HydrophobicContact CD2-CB 4.21Å; L271-L297 HydrophobicContact CD2-CD1 3.9Å; L297-L299 HydrophobicContact CD1-CD2 4.22Å; L297-L299 HydrophobicContact CD2-CD2 4.14Å; L297-L299 HydrophobicContact CG-CD2 4.09Å
298V91.9Very high87.9Confident39 Ų3968.7 Ų68.724%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-112.4125.2170.7176.40000108.4L236 R270 I272L236-V298 HydrophobicContact CD1-CG1 4.23Å; L236-V298 HydrophobicContact CD1-CG2 4.42Å; L236-V298 HydrophobicContact CD2-CG2 4.13Å; L236-V298 HydrophobicContact CG-CG2 4.34Å; R270-V298 WeakPolarHBondContact CA-O 3.36Å; R270-V298 HydrophobicContact CB-CB 4.22Å; R270-V298 WeakPolarHBondContact CB-O 3.47Å; R270-V298 PolarHBondContact N-O 3.49Å; R270-V298 PolarHBondContact O-N 3.23Å; I272-V298 HydrophobicContact CD1-CB 4.4Å; I272-V298 HydrophobicContact CD1-CG2 3.7Å
299L88.6Confident88Confident82 Ų8263 Ų6343%0.42931%0.305SS..EExtended strand (participates in β ladder)trans-83133.1178.2-58.8-177.3000110.8I264 L297 L301I264-L299 HydrophobicContact CD1-CD2 4.09Å; I264-L299 HydrophobicContact CG2-CD2 3.6Å; L297-L299 HydrophobicContact CD1-CD2 4.22Å; L297-L299 HydrophobicContact CD2-CD2 4.14Å; L297-L299 HydrophobicContact CG-CD2 4.09Å; L299-L301 PolarHBondContact O-N 3.34Å
300R81Confident88.1Confident109 Ų10967.1 Ų67.141%0.41132%0.324SS..  trans-84.6109.4170.7-65177.8172.1176-1.8108.9Q268 R302Q268-R300 PolarHBondContact O-N 2.87Å; R300-R302 VanDerWaalsContact C-N 3.25Å; R300-R302 PolarHBondContact O-N 2.89Å
301L65.6Low88.1Confident161 Ų16163 Ų6384%0.84331%0.306SS*.THydrogen-bonded Turntrans-67-15.2-175.1-68.5171000115.5L299L299-L301 PolarHBondContact O-N 3.34Å
302R61Low87.9Confident230 Ų23064.6 Ų64.687%0.86832%0.319SS*.THydrogen-bonded Turntrans-145.517.7-168.6-65.3-170.4-175.6-177.91.4115.4R300R300-R302 VanDerWaalsContact C-N 3.25Å; R300-R302 PolarHBondContact O-N 2.89Å
303G62.6Low87.6Confident48 Ų4864.5 Ų64.550%0.49533%0.327SS..  trans-91.5-26.1-172.200000115.3
304G73.9Confident87.1Confident2 Ų266.1 Ų66.12%0.02135%0.347CS..SBendtrans-72.9157.8-165.100000115.2D267 Q306 K367D267-G304 VanDerWaalsContact OD2-CA 3.23Å; D267-G304 WeakPolarHBondContact OD2-CA 3.3Å; G304-Q306 PolarHBondContact O-N 2.92Å; G304-K367 PolarHBondContact O-NZ 3.42Å
305M88Confident86.9Confident24 Ų2468.9 Ų68.912%0.11836%0.355CS..  trans-71.9114.3163.4168.9170.4165.800108.3I307 V321 P323 L360 I365 K367M305-I307 HydrophobicContact CE-CG2 4.17Å; M305-V321 VanDerWaalsContact CB-O 3.32Å; M305-V321 WeakPolarHBondContact CB-O 3.43Å; M305-V321 HydrophobicContact CE-CG2 4.19Å; M305-V321 HydrophobicContact CG-CG2 4.08Å; M305-V321 PolarHBondContact O-N 3.08Å; M305-P323 HydrophobicContact SD-CG 3.82Å; M305-L360 HydrophobicContact CE-CD1 4.38Å; M305-I365 VanDerWaalsContact CE-O 3.26Å; M305-I365 WeakPolarHBondContact CE-O 3.43Å; M305-K367 HydrophobicContact CG-CB 4.13Å
306Q90.8Very high86.8Confident55 Ų5572 Ų7226%0.25737%0.374SS..EExtended strand (participates in β ladder)trans-102142.9174-71.8176.715.300109.9G304 T318 L319 E320 E368G304-Q306 PolarHBondContact O-N 2.92Å; Q306-T318 HydrophobicContact CB-CG2 4.21Å; Q306-T318 HydrophobicContact CG-CG2 4.13Å; Q306-L319 CarbonylContact C-O 3.6Å; Q306-L319 VanDerWaalsContact CA-O 3.27Å; Q306-L319 WeakPolarHBondContact CA-O 3.27Å; Q306-E320 WeakPolarHBondContact CG-OE1 3.28Å; Q306-E320 VanDerWaalsContact CG-OE2 3.27Å; Q306-E320 WeakPolarHBondContact CG-OE2 3.32Å; Q306-E320 PolarHBondContact NE2-OE1 3.33Å; Q306-E368 WeakPolarHBondContact O-CA 3.4Å; Q306-E368 PolarHBondContact O-N 2.75Å
307I95Very high86.6Confident0 Ų067.5 Ų67.50%035%0.354CS..EExtended strand (participates in β ladder)trans-121.9163.1163.463.9172000109.4M305 L319 V321 V330 L360 I365 S369 L371M305-I307 HydrophobicContact CE-CG2 4.17Å; I307-L319 HydrophobicContact CG1-CB 4.02Å; I307-L319 PolarHBondContact N-O 2.75Å; I307-L319 PolarHBondContact O-N 2.82Å; I307-V321 HydrophobicContact CB-CG2 4.21Å; I307-V321 HydrophobicContact CD1-CG1 3.87Å; I307-V321 HydrophobicContact CD1-CG2 4.02Å; I307-V321 HydrophobicContact CG1-CB 4.49Å; I307-V321 HydrophobicContact CG1-CG1 3.89Å; I307-V321 HydrophobicContact CG1-CG2 3.74Å; I307-V321 HydrophobicContact CG2-CG2 3.67Å; I307-V330 HydrophobicContact CD1-CG1 4.23Å; I307-L360 HydrophobicContact CD1-CD1 4.21Å; I307-L360 HydrophobicContact CD1-CD2 4.32Å; I307-I365 HydrophobicContact CG2-CG2 3.94Å; I307-S369 WeakPolarHBondContact CA-O 3.43Å; I307-L371 HydrophobicContact CD1-CD1 4.09Å; I307-L371 HydrophobicContact CD1-CD2 4.16Å
308F97.3Very high86.5Confident54 Ų5469.8 Ų69.824%0.23737%0.368CS..EExtended strand (participates in β ladder)trans-113.1138.4177.5-57.7-76.3000109.8T316 I317 T318 E368 S369 T370 L371F308-T316 HydrophobicContact CB-CG2 3.83Å; F308-T316 HydrophobicContact CD1-CG2 3.89Å; F308-T316 HydrophobicContact CG-CG2 4.22Å; F308-I317 CarbonylContact C-O 3.49Å; F308-I317 WeakPolarHBondContact CA-O 3.48Å; F308-T318 HydrophobicContact CD1-CG2 4.41Å; F308-T318 HydrophobicContact CE1-CG2 4.11Å; F308-E368 HydrophobicContact CE2-CB 3.94Å; F308-E368 HydrophobicContact CE2-CG 4Å; F308-S369 PolarHBondContact N-O 2.92Å; F308-T370 HydrophobicContact CB-CG2 4.29Å; F308-T370 CarbonylContact O-C 3.56Å; F308-T370 VanDerWaalsContact O-CA 3.28Å; F308-T370 WeakPolarHBondContact O-CA 3.41Å; F308-L371 PolarHBondContact O-N 2.82Å
309V97.2Very high86.5Confident0 Ų068 Ų680%036%0.357CS..EExtended strand (participates in β ladder)trans-118111.2173.9-178.50000108.1I317 L319 I334 L347 L371 L373V309-I317 HydrophobicContact CB-CB 4.31Å; V309-I317 PolarHBondContact N-O 3.04Å; V309-I317 PolarHBondContact O-N 3.31Å; V309-L319 HydrophobicContact CG2-CD1 3.5Å; V309-L319 VanDerWaalsContact CG2-CD1 3.5Å; V309-L319 HydrophobicContact CG2-CG 4.13Å; V309-I334 HydrophobicContact CG1-CD1 4.13Å; V309-I334 HydrophobicContact CG2-CD1 4.16Å; V309-L347 HydrophobicContact CG1-CD2 4.1Å; V309-L371 CarbonylContact C-O 3.59Å; V309-L371 WeakPolarHBondContact CA-O 3.1Å; V309-L371 HydrophobicContact CG2-CB 4.32Å; V309-L373 HydrophobicContact CG1-CB 3.5Å; V309-L373 HydrophobicContact CG1-CD2 4.35Å; V309-L373 HydrophobicContact CG1-CG 4.5Å
310K96.7Very high86.5Confident89 Ų8966.3 Ų66.339%0.38735%0.347SS..EExtended strand (participates in β ladder)trans-89.1123.7176-77.6-173.4-179.4-176.80110.4K315 T316 T370 L371 H372 L373K310-K315 WeakPolarHBondContact CA-O 3.27Å; K310-T316 HydrophobicContact CG-CG2 4.33Å; K310-T370 HydrophobicContact CB-CG2 4.25Å; K310-T370 HydrophobicContact CD-CG2 3.74Å; K310-T370 HydrophobicContact CG-CG2 3.69Å; K310-L371 PolarHBondContact N-O 2.91Å; K310-H372 CarbonylContact O-C 3.55Å; K310-H372 WeakPolarHBondContact O-CA 3.49Å; K310-L373 PolarHBondContact O-N 2.67Å
311T92Very high87Confident25 Ų2561.2 Ų61.215%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-78164.2171.271.70000110.6T313 G314 K315 I317 L373T311-T313 PolarHBondContact O-N 2.9Å; T311-T313 PolarHBondContact OG1-N 2.78Å; T311-T313 PolarHBondContact OG1-OG1 2.88Å; T311-G314 PolarHBondContact O-N 3.45Å; T311-K315 HydrophobicContact CG2-CB 4.2Å; T311-K315 PolarHBondContact N-O 3.42Å; T311-K315 WeakPolarHBondContact OG1-CB 3.23Å; T311-K315 PolarHBondContact OG1-N 2.94Å; T311-K315 PolarHBondContact OG1-O 2.91Å; T311-I317 HydrophobicContact CG2-CD1 3.78Å; T311-L373 HydrophobicContact CG2-CD2 4.46Å
312L86.5Confident88.2Confident139 Ų13955.3 Ų55.373%0.72830%0.296SS*.THydrogen-bonded Turntrans-60.6-22.1171.6-71.6177.6000113.9G314 V374L312-G314 VanDerWaalsContact C-N 3.25Å; L312-V374 HydrophobicContact CD1-CG1 4.17Å; L312-V374 HydrophobicContact CD1-CG2 4.39Å; L312-V374 HydrophobicContact CD2-CG2 4.07Å; L312-V374 HydrophobicContact CG-CG2 4.27Å
313T87.3Confident89.6Confident128 Ų12847.5 Ų47.579%0.78528%0.275SS*.THydrogen-bonded Turntrans-82.6-3.2176.259.50000113T311 K315T311-T313 PolarHBondContact O-N 2.9Å; T311-T313 PolarHBondContact OG1-N 2.78Å; T311-T313 PolarHBondContact OG1-OG1 2.88Å; T313-K315 VanDerWaalsContact C-N 3.34Å
314G87.3Confident90.9Very high55 Ų5548.8 Ų48.857%0.56728%0.276SS*.SBendtrans87-2.9-177.400000114.6T311 L312 T316T311-G314 PolarHBondContact O-N 3.45Å; L312-G314 VanDerWaalsContact C-N 3.25Å; G314-T316 PolarHBondContact O-N 3.1Å
315K93.2Very high91.7Very high103 Ų10349 Ų4945%0.44828%0.277SS..  trans-63.3133172.3-175-178.1173.5-170.90108.8K310 T311 T313 E338K310-K315 WeakPolarHBondContact CA-O 3.27Å; T311-K315 HydrophobicContact CG2-CB 4.2Å; T311-K315 PolarHBondContact N-O 3.42Å; T311-K315 WeakPolarHBondContact OG1-CB 3.23Å; T311-K315 PolarHBondContact OG1-N 2.94Å; T311-K315 PolarHBondContact OG1-O 2.91Å; T313-K315 VanDerWaalsContact C-N 3.34Å; K315-E338 WeakPolarHBondContact CE-OE1 3.49Å; K315-E338 IonicContact NZ-OE1 2.64Å; K315-E338 PolarHBondContact NZ-OE1 2.83Å; K315-E338 IonicContact NZ-OE2 2.8Å; K315-E338 PolarHBondContact NZ-OE2 2.83Å
316T94.5Very high92.1Very high65 Ų6549.5 Ų49.540%0.39928%0.282SS..EExtended strand (participates in β ladder)trans-106.5122.6175.1-57.20000108.8F308 K310 G314F308-T316 HydrophobicContact CB-CG2 3.83Å; F308-T316 HydrophobicContact CD1-CG2 3.89Å; F308-T316 HydrophobicContact CG-CG2 4.22Å; K310-T316 HydrophobicContact CG-CG2 4.33Å; G314-T316 PolarHBondContact O-N 3.1Å
317I93.5Very high92.4Very high7 Ų746.9 Ų46.94%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-102.7125.8177.5-55.7151.2000107.2F308 V309 T311 L319 K337 E338F308-I317 CarbonylContact C-O 3.49Å; F308-I317 WeakPolarHBondContact CA-O 3.48Å; V309-I317 HydrophobicContact CB-CB 4.31Å; V309-I317 PolarHBondContact N-O 3.04Å; V309-I317 PolarHBondContact O-N 3.31Å; T311-I317 HydrophobicContact CG2-CD1 3.78Å; I317-L319 HydrophobicContact CG2-CD2 3.9Å; I317-L319 HydrophobicContact CG2-CG 4.39Å; I317-K337 HydrophobicContact CG2-CD 4.16Å; I317-E338 HydrophobicContact CD1-CG 3.54Å; I317-E338 HydrophobicContact CG1-CG 4.05Å
318T93.3Very high92.4Very high51 Ų5152.4 Ų52.431%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-89.3127.1173.9-55.80000109.3Q306 F308 K337Q306-T318 HydrophobicContact CB-CG2 4.21Å; Q306-T318 HydrophobicContact CG-CG2 4.13Å; F308-T318 HydrophobicContact CD1-CG2 4.41Å; F308-T318 HydrophobicContact CE1-CG2 4.11Å; T318-K337 PolarHBondContact O-NZ 3Å
319L91.6Very high92.1Very high1 Ų153.3 Ų53.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-117.3137175.7-59179000110.2Q306 I307 V309 I317 V321 V330 K333 I334 K337Q306-L319 CarbonylContact C-O 3.6Å; Q306-L319 VanDerWaalsContact CA-O 3.27Å; Q306-L319 WeakPolarHBondContact CA-O 3.27Å; I307-L319 HydrophobicContact CG1-CB 4.02Å; I307-L319 PolarHBondContact N-O 2.75Å; I307-L319 PolarHBondContact O-N 2.82Å; V309-L319 HydrophobicContact CG2-CD1 3.5Å; V309-L319 VanDerWaalsContact CG2-CD1 3.5Å; V309-L319 HydrophobicContact CG2-CG 4.13Å; I317-L319 HydrophobicContact CG2-CD2 3.9Å; I317-L319 HydrophobicContact CG2-CG 4.39Å; L319-V321 HydrophobicContact CB-CG1 3.96Å; L319-V330 HydrophobicContact CD1-CG1 3.87Å; L319-K333 HydrophobicContact CD2-CB 4.29Å; L319-I334 HydrophobicContact CD1-CD1 4.06Å; L319-I334 HydrophobicContact CD1-CG1 3.53Å; L319-I334 HydrophobicContact CD2-CG1 4.31Å; L319-I334 HydrophobicContact CG-CG1 4.48Å; L319-K337 HydrophobicContact CD2-CD 3.88Å
320E89.4Confident92Very high46 Ų4653.3 Ų53.322%0.21530%0.302CS..EExtended strand (participates in β ladder)trans-88.8122.3168.6-60.8-69.6166.300108P265 Q268 Q306 K333P265-E320 HydrophobicContact CG-CB 4.18Å; Q268-E320 PolarHBondContact NE2-OE2 3.09Å; Q306-E320 WeakPolarHBondContact CG-OE1 3.28Å; Q306-E320 VanDerWaalsContact CG-OE2 3.27Å; Q306-E320 WeakPolarHBondContact CG-OE2 3.32Å; Q306-E320 PolarHBondContact NE2-OE1 3.33Å; E320-K333 PolarHBondContact O-NZ 3.37Å
321V91.1Very high92Very high2 Ų249.3 Ų49.31%0.01229%0.285CS..  trans-142.7160-170.4-61.70000111.3M305 I307 L319 D325 V330 K333 L360M305-V321 VanDerWaalsContact CB-O 3.32Å; M305-V321 WeakPolarHBondContact CB-O 3.43Å; M305-V321 HydrophobicContact CE-CG2 4.19Å; M305-V321 HydrophobicContact CG-CG2 4.08Å; M305-V321 PolarHBondContact O-N 3.08Å; I307-V321 HydrophobicContact CB-CG2 4.21Å; I307-V321 HydrophobicContact CD1-CG1 3.87Å; I307-V321 HydrophobicContact CD1-CG2 4.02Å; I307-V321 HydrophobicContact CG1-CB 4.49Å; I307-V321 HydrophobicContact CG1-CG1 3.89Å; I307-V321 HydrophobicContact CG1-CG2 3.74Å; I307-V321 HydrophobicContact CG2-CG2 3.67Å; L319-V321 HydrophobicContact CB-CG1 3.96Å; V321-D325 VanDerWaalsContact CA-OD2 3.25Å; V321-D325 WeakPolarHBondContact CA-OD2 3.25Å; V321-V330 HydrophobicContact CG1-CG2 4.3Å; V321-K333 HydrophobicContact CG1-CD 4.1Å; V321-L360 HydrophobicContact CB-CD1 3.55Å; V321-L360 HydrophobicContact CG1-CD1 4.13Å; V321-L360 HydrophobicContact CG2-CD1 3.43Å; V321-L360 VanDerWaalsContact CG2-CD1 3.43Å
322E89.5Confident91.9Very high38 Ų3849.8 Ų49.818%0.17829%0.292CS..  trans-111.6152.8171.8-62.2-171.8163.100110.9P266 S324 D325P266-E322 WeakPolarHBondContact CD-OE1 3.31Å; E322-S324 PolarHBondContact O-N 3.32Å; E322-S324 VanDerWaalsContact O-N 3.12Å; E322-D325 PolarHBondContact N-OD2 3.19Å; E322-D325 VanDerWaalsContact O-CB 3.3Å; E322-D325 WeakPolarHBondContact O-CB 3.3Å; E322-D325 PolarHBondContact O-N 3.29Å
323P90.9Very high92.2Very high66 Ų6645 Ų4543%0.42927%0.265SS..THydrogen-bonded Turntrans-56.3-29.2175.9-24.733.5000113.8M305 S361M305-P323 HydrophobicContact SD-CG 3.82Å; P323-S361 VanDerWaalsContact O-CB 3.25Å; P323-S361 WeakPolarHBondContact O-CB 3.44Å; P323-S361 PolarHBondContact O-N 3.08Å
324S89.4Confident92.5Very high74 Ų7438.9 Ų38.952%0.51723%0.228SC..THydrogen-bonded Turntrans-77.4-15176.240.40000114E322 T326 T359E322-S324 PolarHBondContact O-N 3.32Å; E322-S324 VanDerWaalsContact O-N 3.12Å; S324-T326 PolarHBondContact O-N 3.3Å; S324-T359 WeakPolarHBondContact O-CG2 3.22Å
325D92.3Very high92.6Very high7 Ų738.1 Ų38.14%0.03721%0.209CC..  trans-59.4129.5179.6-85.6-31.9000109.9V321 E322 N329 V330 K333 T359 L360V321-D325 VanDerWaalsContact CA-OD2 3.25Å; V321-D325 WeakPolarHBondContact CA-OD2 3.25Å; E322-D325 PolarHBondContact N-OD2 3.19Å; E322-D325 VanDerWaalsContact O-CB 3.3Å; E322-D325 WeakPolarHBondContact O-CB 3.3Å; E322-D325 PolarHBondContact O-N 3.29Å; D325-N329 HydrophobicContact CB-CB 4.31Å; D325-N329 PolarHBondContact OD1-ND2 2.66Å; D325-V330 HydrophobicContact CB-CG2 4.33Å; D325-K333 WeakPolarHBondContact OD2-CE 3.49Å; D325-K333 IonicContact OD2-NZ 2.67Å; D325-K333 PolarHBondContact OD2-NZ 3.47Å; D325-T359 CarbonylContact O-C 3.49Å; D325-T359 WeakPolarHBondContact O-CA 3.35Å; D325-L360 HydrophobicContact CB-CD1 4.3Å; D325-L360 HydrophobicContact CB-CG 4.48Å; D325-L360 PolarHBondContact O-N 2.88Å
326T95Very high92.2Very high34 Ų3439.5 Ų39.521%0.20922%0.221CC..BIsolated β-bridgetrans-70.9158.5170.864.80000110.4S324 E328 N329 V330 R358S324-T326 PolarHBondContact O-N 3.3Å; T326-E328 PolarHBondContact O-N 3.19Å; T326-N329 WeakPolarHBondContact O-CB 3.42Å; T326-N329 PolarHBondContact O-N 3.12Å; T326-N329 VanDerWaalsContact O-N 3.08Å; T326-N329 PolarHBondContact OG1-N 2.94Å; T326-N329 VanDerWaalsContact OG1-N 3.08Å; T326-N329 PolarHBondContact OG1-OD1 3.04Å; T326-N329 VanDerWaalsContact OG1-OD1 3.09Å; T326-V330 WeakPolarHBondContact O-CG2 3.48Å; T326-V330 PolarHBondContact O-N 3.07Å; T326-R358 CarbonylContact C-O 3.6Å; T326-R358 WeakPolarHBondContact CA-O 3.25Å
327I96.7Very high91.9Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-62.5-31.7173.9-60.9-55.4000111V330 K331 L347 L354 E355 D356 R358 L360 Y363I327-V330 PolarHBondContact O-N 3.07Å; I327-K331 WeakPolarHBondContact O-CG 3.2Å; I327-K331 PolarHBondContact O-N 2.76Å; I327-L347 HydrophobicContact CG2-CD1 4.18Å; I327-L354 HydrophobicContact CB-CB 4.49Å; I327-L354 HydrophobicContact CD1-CB 3.94Å; I327-L354 HydrophobicContact CD1-CD1 3.63Å; I327-L354 HydrophobicContact CD1-CG 4.31Å; I327-L354 HydrophobicContact CG1-CB 3.89Å; I327-L354 HydrophobicContact CG2-CB 3.81Å; I327-E355 VanDerWaalsContact CB-O 3.27Å; I327-E355 WeakPolarHBondContact CB-O 3.1Å; I327-E355 VanDerWaalsContact CG1-O 3.25Å; I327-E355 WeakPolarHBondContact CG1-O 3.26Å; I327-D356 PolarHBondContact N-O 3.35Å; I327-R358 WeakPolarHBondContact CG1-O 3.28Å; I327-R358 PolarHBondContact N-O 3.38Å; I327-L360 HydrophobicContact CD1-CD2 3.94Å; I327-Y363 HydrophobicContact CD1-CD2 4.26Å; I327-Y363 HydrophobicContact CD1-CE2 4.36Å; I327-Y363 HydrophobicContact CG1-CD2 4.38Å; I327-Y363 HydrophobicContact CG1-CE2 4.02Å
328E94.7Very high91.7Very high117 Ų11744.6 Ų44.655%0.54724%0.239SC..Hα-helixtrans-58.7-48.1169.3-171.1171.1-159.800112.1T326 V330 K331 A332 D356T326-E328 PolarHBondContact O-N 3.19Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 3.03Å; E328-K331 WeakPolarHBondContact O-CB 3.49Å; E328-K331 PolarHBondContact O-N 2.91Å; E328-K331 VanDerWaalsContact O-N 3.1Å; E328-A332 PolarHBondContact O-N 3.35Å; E328-D356 HydrophobicContact CB-CB 4.22Å; E328-D356 PolarHBondContact N-O 3.01Å
329N92.5Very high91.3Very high72 Ų7244.9 Ų44.939%0.38525%0.252SS..Hα-helixtrans-59.5-41.9175.2-66.2-2.2000111.6D325 T326 K331 A332 K333D325-N329 HydrophobicContact CB-CB 4.31Å; D325-N329 PolarHBondContact OD1-ND2 2.66Å; T326-N329 WeakPolarHBondContact O-CB 3.42Å; T326-N329 PolarHBondContact O-N 3.12Å; T326-N329 VanDerWaalsContact O-N 3.08Å; T326-N329 PolarHBondContact OG1-N 2.94Å; T326-N329 VanDerWaalsContact OG1-N 3.08Å; T326-N329 PolarHBondContact OG1-OD1 3.04Å; T326-N329 VanDerWaalsContact OG1-OD1 3.09Å; N329-K331 VanDerWaalsContact C-N 3.29Å; N329-K331 PolarHBondContact O-N 2.88Å; N329-A332 PolarHBondContact O-N 3.35Å; N329-K333 WeakPolarHBondContact O-CG 3.1Å; N329-K333 PolarHBondContact O-N 3.44Å
330V95.4Very high91Very high0 Ų046.1 Ų46.10%026%0.258CS..Hα-helixtrans-62.3-39.3177.1177.10000110.9I307 L319 V321 D325 T326 I327 E328 K333 I334 L347 L360I307-V330 HydrophobicContact CD1-CG1 4.23Å; L319-V330 HydrophobicContact CD1-CG1 3.87Å; V321-V330 HydrophobicContact CG1-CG2 4.3Å; D325-V330 HydrophobicContact CB-CG2 4.33Å; T326-V330 WeakPolarHBondContact O-CG2 3.48Å; T326-V330 PolarHBondContact O-N 3.07Å; I327-V330 PolarHBondContact O-N 3.07Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 3.03Å; V330-K333 PolarHBondContact O-N 3.13Å; V330-I334 HydrophobicContact CG1-CD1 4.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.37Å; V330-I334 VanDerWaalsContact O-N 3.08Å; V330-L347 HydrophobicContact CB-CD1 4.33Å; V330-L347 HydrophobicContact CG1-CD1 3.77Å; V330-L360 HydrophobicContact CG2-CD1 4.07Å; V330-L360 HydrophobicContact CG2-CD2 3.93Å; V330-L360 HydrophobicContact CG2-CG 4.05Å
331K95.2Very high90.8Very high5 Ų544.3 Ų44.32%0.02225%0.251CS..Hα-helixtrans-66.5-42.4175.3-72.6171.8164.8-167.50112.3I327 E328 N329 K333 I334 Q335 P342 Q345 L347 D356I327-K331 WeakPolarHBondContact O-CG 3.2Å; I327-K331 PolarHBondContact O-N 2.76Å; E328-K331 WeakPolarHBondContact O-CB 3.49Å; E328-K331 PolarHBondContact O-N 2.91Å; E328-K331 VanDerWaalsContact O-N 3.1Å; N329-K331 VanDerWaalsContact C-N 3.29Å; N329-K331 PolarHBondContact O-N 2.88Å; K331-K333 VanDerWaalsContact C-N 3.3Å; K331-K333 PolarHBondContact O-N 3.29Å; K331-I334 WeakPolarHBondContact O-CB 3.32Å; K331-I334 PolarHBondContact O-N 3.44Å; K331-I334 VanDerWaalsContact O-N 3.11Å; K331-Q335 PolarHBondContact O-N 2.86Å; K331-P342 HydrophobicContact CB-CB 3.82Å; K331-P342 HydrophobicContact CB-CG 4.2Å; K331-P342 HydrophobicContact CD-CB 4.17Å; K331-P342 WeakPolarHBondContact CD-O 3.39Å; K331-P342 PolarHBondContact NZ-O 3.21Å; K331-Q345 VanDerWaalsContact CA-OE1 3.22Å; K331-Q345 HydrophobicContact CD-CB 4.36Å; K331-Q345 VanDerWaalsContact CE-O 3.26Å; K331-Q345 WeakPolarHBondContact CE-O 3.49Å; K331-Q345 HydrophobicContact CG-CB 4.06Å; K331-Q345 PolarHBondContact NZ-O 2.71Å; K331-Q345 PolarHBondContact O-NE2 3.28Å; K331-Q345 PolarHBondContact O-OE1 2.86Å; K331-L347 HydrophobicContact CG-CD1 3.87Å; K331-L347 HydrophobicContact CG-CG 4.43Å; K331-D356 WeakPolarHBondContact CD-OD1 3.47Å; K331-D356 WeakPolarHBondContact CE-OD1 3.47Å; K331-D356 IonicContact NZ-OD1 3.28Å; K331-D356 PolarHBondContact NZ-OD1 2.8Å; K331-D356 IonicContact NZ-OD2 3.54Å; K331-D356 PolarHBondContact NZ-OD2 2.94Å
332A91.5Very high90.7Very high36 Ų3645.1 Ų45.130%0.29826%0.256SS..Hα-helixtrans-57.2-45.5172.900000110.8E328 N329 I334 Q335 D336E328-A332 PolarHBondContact O-N 3.35Å; N329-A332 PolarHBondContact O-N 3.35Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 2.91Å; A332-Q335 CarbonylContact O-C 3.53Å; A332-Q335 WeakPolarHBondContact O-CA 3.26Å; A332-Q335 VanDerWaalsContact O-CB 3.26Å; A332-Q335 WeakPolarHBondContact O-CB 3.46Å; A332-Q335 PolarHBondContact O-N 2.76Å; A332-D336 VanDerWaalsContact O-CG 3.27Å; A332-D336 PolarHBondContact O-N 3.32Å
333K92.4Very high90.5Very high38 Ų3845.8 Ų45.817%0.16526%0.26CS..Hα-helixtrans-60.3-32.8175.3-67.8167.6-171.5-97.20113.5L319 E320 V321 D325 N329 V330 K331 K337L319-K333 HydrophobicContact CD2-CB 4.29Å; E320-K333 PolarHBondContact O-NZ 3.37Å; V321-K333 HydrophobicContact CG1-CD 4.1Å; D325-K333 WeakPolarHBondContact OD2-CE 3.49Å; D325-K333 IonicContact OD2-NZ 2.67Å; D325-K333 PolarHBondContact OD2-NZ 3.47Å; N329-K333 WeakPolarHBondContact O-CG 3.1Å; N329-K333 PolarHBondContact O-N 3.44Å; V330-K333 PolarHBondContact O-N 3.13Å; K331-K333 VanDerWaalsContact C-N 3.3Å; K331-K333 PolarHBondContact O-N 3.29Å; K333-K337 WeakPolarHBondContact O-CG 3.25Å; K333-K337 PolarHBondContact O-N 3.27Å
334I93Very high90.4Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-72.3-39.7173.7-66.9162.7000110.5V309 L319 V330 K331 A332 D336 K337 E338 I340 Q345 L347 L373V309-I334 HydrophobicContact CG1-CD1 4.13Å; V309-I334 HydrophobicContact CG2-CD1 4.16Å; L319-I334 HydrophobicContact CD1-CD1 4.06Å; L319-I334 HydrophobicContact CD1-CG1 3.53Å; L319-I334 HydrophobicContact CD2-CG1 4.31Å; L319-I334 HydrophobicContact CG-CG1 4.48Å; V330-I334 HydrophobicContact CG1-CD1 4.3Å; V330-I334 WeakPolarHBondContact O-CG1 3.41Å; V330-I334 PolarHBondContact O-N 3.37Å; V330-I334 VanDerWaalsContact O-N 3.08Å; K331-I334 WeakPolarHBondContact O-CB 3.32Å; K331-I334 PolarHBondContact O-N 3.44Å; K331-I334 VanDerWaalsContact O-N 3.11Å; A332-I334 VanDerWaalsContact C-N 3.27Å; A332-I334 PolarHBondContact O-N 2.91Å; I334-D336 VanDerWaalsContact C-N 3.32Å; I334-K337 PolarHBondContact O-N 3.01Å; I334-E338 HydrophobicContact CG2-CB 4.45Å; I334-E338 HydrophobicContact CG2-CG 4.47Å; I334-E338 WeakPolarHBondContact O-CB 3.34Å; I334-E338 PolarHBondContact O-N 2.71Å; I334-I340 HydrophobicContact CG2-CD1 4.44Å; I334-Q345 VanDerWaalsContact CB-OE1 3.29Å; I334-Q345 VanDerWaalsContact CD1-OE1 3.23Å; I334-Q345 HydrophobicContact CG2-CG 4.5Å; I334-L347 HydrophobicContact CD1-CD1 4Å; I334-L347 HydrophobicContact CD1-CD2 3.66Å; I334-L347 HydrophobicContact CD1-CG 4.33Å; I334-L373 HydrophobicContact CG2-CD2 4Å
335Q90.1Very high90.5Very high38 Ų3840.7 Ų40.718%0.17822%0.223CC..Hα-helixtrans-59.6-45.7174.5-176.8-176.57.600110.6K331 A332 K337 E338 G339 I340K331-Q335 PolarHBondContact O-N 2.86Å; A332-Q335 CarbonylContact O-C 3.53Å; A332-Q335 WeakPolarHBondContact O-CA 3.26Å; A332-Q335 VanDerWaalsContact O-CB 3.26Å; A332-Q335 WeakPolarHBondContact O-CB 3.46Å; A332-Q335 PolarHBondContact O-N 2.76Å; Q335-K337 PolarHBondContact O-N 3.2Å; Q335-E338 PolarHBondContact O-N 3.43Å; Q335-G339 WeakPolarHBondContact O-CA 3.37Å; Q335-G339 PolarHBondContact O-N 2.96Å; Q335-I340 VanDerWaalsContact CA-O 3.3Å; Q335-I340 WeakPolarHBondContact CA-O 3.32Å; Q335-I340 WeakPolarHBondContact CB-O 3.41Å
336D84Confident90.6Very high132 Ų13245.2 Ų45.271%0.70624%0.239SC*.Hα-helixtrans-61.4-34.4179.1-62.2-25.7000112.1A332 I334A332-D336 VanDerWaalsContact O-CG 3.27Å; A332-D336 PolarHBondContact O-N 3.32Å; I334-D336 VanDerWaalsContact C-N 3.32Å
337K88.6Confident90.7Very high117 Ų11743.6 Ų43.651%0.50923%0.23SC..Hα-helixtrans-87.7-33.8-179.2-71.8-158.4-178.7-1640115I317 T318 L319 K333 I334 Q335I317-K337 HydrophobicContact CG2-CD 4.16Å; T318-K337 PolarHBondContact O-NZ 3Å; L319-K337 HydrophobicContact CD2-CD 3.88Å; K333-K337 WeakPolarHBondContact O-CG 3.25Å; K333-K337 PolarHBondContact O-N 3.27Å; I334-K337 PolarHBondContact O-N 3.01Å; Q335-K337 PolarHBondContact O-N 3.2Å
338E89.6Confident90.7Very high63 Ų6345.4 Ų45.429%0.29424%0.239SC..Hα-helixtrans-122.8-4.6-168.8-60.8-71.1135.500113.3K315 I317 I334 Q335 I340K315-E338 WeakPolarHBondContact CE-OE1 3.49Å; K315-E338 IonicContact NZ-OE1 2.64Å; K315-E338 PolarHBondContact NZ-OE1 2.83Å; K315-E338 IonicContact NZ-OE2 2.8Å; K315-E338 PolarHBondContact NZ-OE2 2.83Å; I317-E338 HydrophobicContact CD1-CG 3.54Å; I317-E338 HydrophobicContact CG1-CG 4.05Å; I334-E338 HydrophobicContact CG2-CB 4.45Å; I334-E338 HydrophobicContact CG2-CG 4.47Å; I334-E338 WeakPolarHBondContact O-CB 3.34Å; I334-E338 PolarHBondContact O-N 2.71Å; Q335-E338 PolarHBondContact O-N 3.43Å; E338-I340 HydrophobicContact CB-CD1 3.64Å; E338-I340 HydrophobicContact CB-CG1 3.98Å; E338-I340 HydrophobicContact CG-CD1 4.44Å; E338-I340 PolarHBondContact O-N 2.75Å
339G84.2Confident90.8Very high57 Ų5742 Ų4259%0.58822%0.222SC*.  trans70.612-178.700000114.5Q335 P341Q335-G339 WeakPolarHBondContact O-CA 3.37Å; Q335-G339 PolarHBondContact O-N 2.96Å; G339-P341 WeakPolarHBondContact O-CD 3.24Å
340I85.8Confident90.8Very high27 Ų2742.6 Ų42.614%0.13824%0.238CC..  trans-89119.1-175.4-57.4159.6000109.4I334 Q335 E338 Q344 Q345 L373 L375I334-I340 HydrophobicContact CG2-CD1 4.44Å; Q335-I340 VanDerWaalsContact CA-O 3.3Å; Q335-I340 WeakPolarHBondContact CA-O 3.32Å; Q335-I340 WeakPolarHBondContact CB-O 3.41Å; E338-I340 HydrophobicContact CB-CD1 3.64Å; E338-I340 HydrophobicContact CB-CG1 3.98Å; E338-I340 HydrophobicContact CG-CD1 4.44Å; E338-I340 PolarHBondContact O-N 2.75Å; I340-Q344 HydrophobicContact CG2-CB 4.35Å; I340-Q345 HydrophobicContact CB-CG 4.32Å; I340-Q345 HydrophobicContact CG2-CG 3.62Å; I340-Q345 PolarHBondContact O-NE2 2.87Å; I340-L373 HydrophobicContact CD1-CD2 4.02Å; I340-L375 HydrophobicContact CD1-CD2 4.03Å; I340-L375 HydrophobicContact CG1-CD2 4.42Å; I340-L375 HydrophobicContact CG2-CD2 3.57Å
341P85.2Confident90.7Very high8 Ų846.3 Ų46.35%0.05228%0.275CS..  trans-60.8137.8178.8-26.536.9000113.8G339 D343 Q344 Q345 E396G339-P341 WeakPolarHBondContact O-CD 3.24Å; P341-D343 VanDerWaalsContact C-N 3.26Å; P341-D343 VanDerWaalsContact CB-OD1 3.27Å; P341-D343 WeakPolarHBondContact CB-OD1 3.44Å; P341-D343 PolarHBondContact O-N 3.27Å; P341-Q344 HydrophobicContact CB-CG 4.37Å; P341-Q344 WeakPolarHBondContact O-CB 3.19Å; P341-Q344 PolarHBondContact O-N 2.9Å; P341-Q345 WeakPolarHBondContact O-CG 3.19Å; P341-Q345 PolarHBondContact O-N 3.02Å; P341-E396 HydrophobicContact CG-CB 4.32Å
342P89.4Confident90.6Very high18 Ų1852.9 Ų52.912%0.11730%0.304CS..THydrogen-bonded Turntrans-49.1-36.5179.6-33.734.6000116.3K331 Q344 Q345 E398K331-P342 HydrophobicContact CB-CB 3.82Å; K331-P342 HydrophobicContact CB-CG 4.2Å; K331-P342 HydrophobicContact CD-CB 4.17Å; K331-P342 WeakPolarHBondContact CD-O 3.39Å; K331-P342 PolarHBondContact NZ-O 3.21Å; P342-Q344 VanDerWaalsContact C-N 3.3Å; P342-Q344 PolarHBondContact O-N 2.98Å; P342-Q345 WeakPolarHBondContact O-CB 3.28Å; P342-Q345 PolarHBondContact O-N 3.43Å; P342-Q345 VanDerWaalsContact O-N 3.17Å; P342-E398 WeakPolarHBondContact CD-OE1 3.29Å
343D84.4Confident90.8Very high52 Ų5255 Ų5528%0.27831%0.308SS..THydrogen-bonded Turntrans-68.5-28.4179.373.1-31.6000113.2P341 R376 G380P341-D343 VanDerWaalsContact C-N 3.26Å; P341-D343 VanDerWaalsContact CB-OD1 3.27Å; P341-D343 WeakPolarHBondContact CB-OD1 3.44Å; P341-D343 PolarHBondContact O-N 3.27Å; D343-R376 VanDerWaalsContact O-CD 3.32Å; D343-R376 WeakPolarHBondContact O-CD 3.5Å; D343-R376 PolarHBondContact O-NH1 3.13Å; D343-G380 WeakPolarHBondContact OD2-CA 3.46Å
344Q88.5Confident90.9Very high34 Ų3453.4 Ų53.416%0.15930%0.301CS..THydrogen-bonded Turntrans-81.3-18.1173.4-61.4-174.17.500112.6I340 P341 P342 R376 E396I340-Q344 HydrophobicContact CG2-CB 4.35Å; P341-Q344 HydrophobicContact CB-CG 4.37Å; P341-Q344 WeakPolarHBondContact O-CB 3.19Å; P341-Q344 PolarHBondContact O-N 2.9Å; P342-Q344 VanDerWaalsContact C-N 3.3Å; P342-Q344 PolarHBondContact O-N 2.98Å; Q344-R376 PolarHBondContact O-N 2.86Å; Q344-E396 PolarHBondContact NE2-OE2 3.2Å
345Q92.6Very high91Very high0 Ų058.4 Ų58.40%032%0.324CS..EExtended strand (participates in β ladder)trans-82.3125.9-179-62.117939.500111.7K331 I334 I340 P341 P342 L373K331-Q345 VanDerWaalsContact CA-OE1 3.22Å; K331-Q345 HydrophobicContact CD-CB 4.36Å; K331-Q345 VanDerWaalsContact CE-O 3.26Å; K331-Q345 WeakPolarHBondContact CE-O 3.49Å; K331-Q345 HydrophobicContact CG-CB 4.06Å; K331-Q345 PolarHBondContact NZ-O 2.71Å; K331-Q345 PolarHBondContact O-NE2 3.28Å; K331-Q345 PolarHBondContact O-OE1 2.86Å; I334-Q345 VanDerWaalsContact CB-OE1 3.29Å; I334-Q345 VanDerWaalsContact CD1-OE1 3.23Å; I334-Q345 HydrophobicContact CG2-CG 4.5Å; I340-Q345 HydrophobicContact CB-CG 4.32Å; I340-Q345 HydrophobicContact CG2-CG 3.62Å; I340-Q345 PolarHBondContact O-NE2 2.87Å; P341-Q345 WeakPolarHBondContact O-CG 3.19Å; P341-Q345 PolarHBondContact O-N 3.02Å; P342-Q345 WeakPolarHBondContact O-CB 3.28Å; P342-Q345 PolarHBondContact O-N 3.43Å; P342-Q345 VanDerWaalsContact O-N 3.17Å; Q345-L373 HydrophobicContact CB-CD1 3.76Å; Q345-L373 HydrophobicContact CG-CD1 3.97Å
346R94Very high91.1Very high101 Ų10159.9 Ų59.938%0.38133%0.334SS..EExtended strand (participates in β ladder)trans-115103.7167.3-171.5-172.6-169.8-170.31.5109.3I348 Q353 V374 R376R346-I348 HydrophobicContact CG-CG1 4.39Å; R346-Q353 HydrophobicContact CG-CG 4.08Å; R346-Q353 VanDerWaalsContact CZ-OE1 3.26Å; R346-V374 WeakPolarHBondContact CA-O 3.48Å; R346-V374 HydrophobicContact CB-CB 4.22Å; R346-V374 WeakPolarHBondContact CB-O 3.46Å; R346-V374 PolarHBondContact N-O 2.84Å; R346-V374 PolarHBondContact O-N 2.92Å; R346-R376 HydrophobicContact CB-CG 4.41Å
347L96.6Very high91.4Very high1 Ų157.1 Ų57.11%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-87.1135.4175.2-64177.5000110.9V309 I327 V330 K331 I334 L354 L371 H372 L373V309-L347 HydrophobicContact CG1-CD2 4.1Å; I327-L347 HydrophobicContact CG2-CD1 4.18Å; V330-L347 HydrophobicContact CB-CD1 4.33Å; V330-L347 HydrophobicContact CG1-CD1 3.77Å; K331-L347 HydrophobicContact CG-CD1 3.87Å; K331-L347 HydrophobicContact CG-CG 4.43Å; I334-L347 HydrophobicContact CD1-CD1 4Å; I334-L347 HydrophobicContact CD1-CD2 3.66Å; I334-L347 HydrophobicContact CD1-CG 4.33Å; L347-L354 HydrophobicContact CB-CB 4.24Å; L347-L354 HydrophobicContact CB-CD1 4.01Å; L347-L354 HydrophobicContact CB-CG 4.32Å; L347-L354 PolarHBondContact O-N 2.92Å; L347-L371 HydrophobicContact CD1-CD2 4.41Å; L347-H372 WeakPolarHBondContact CA-O 3.38Å; L347-L373 HydrophobicContact CD2-CB 4.16Å; L347-L373 HydrophobicContact CD2-CD1 3.89Å
348I97.1Very high91.6Very high38 Ų3856.4 Ų56.420%0.19533%0.33CS..EExtended strand (participates in β ladder)trans-131.3132.5-177.4-59.9164.5000108.8R346 K352 H372 V374R346-I348 HydrophobicContact CG-CG1 4.39Å; I348-K352 CarbonylContact C-O 3.51Å; I348-K352 VanDerWaalsContact CA-O 3.28Å; I348-K352 WeakPolarHBondContact CA-O 3.48Å; I348-H372 HydrophobicContact CB-CB 4.33Å; I348-H372 PolarHBondContact N-O 2.88Å; I348-H372 PolarHBondContact O-N 3.2Å; I348-V374 HydrophobicContact CD1-CB 4.42Å; I348-V374 HydrophobicContact CD1-CG2 3.75Å
349F97.2Very high91.8Very high44 Ų4454.9 Ų54.919%0.19333%0.325CS..EExtended strand (participates in β ladder)trans-139.8137.8173.9-177.6-109.7000109.9G351 K352 L354 I365 L371F349-G351 PolarHBondContact O-N 2.88Å; F349-G351 VanDerWaalsContact O-N 3.11Å; F349-K352 PolarHBondContact N-O 2.93Å; F349-K352 PolarHBondContact O-N 3.12Å; F349-L354 HydrophobicContact CB-CD1 4.11Å; F349-L354 HydrophobicContact CB-CD2 3.91Å; F349-L354 HydrophobicContact CB-CG 4.29Å; F349-I365 HydrophobicContact CB-CD1 4.35Å; F349-I365 HydrophobicContact CD1-CD1 4.12Å; F349-I365 HydrophobicContact CD1-CG1 3.58Å; F349-I365 HydrophobicContact CD2-CG1 4.37Å; F349-I365 HydrophobicContact CE1-CG1 3.65Å; F349-I365 HydrophobicContact CE2-CG1 4.43Å; F349-I365 HydrophobicContact CG-CD1 4.17Å; F349-I365 HydrophobicContact CG-CG1 3.95Å; F349-I365 HydrophobicContact CZ-CG1 4.09Å; F349-L371 HydrophobicContact CB-CG 4.31Å; F349-L371 HydrophobicContact CD2-CD1 4.08Å; F349-L371 HydrophobicContact CD2-CG 4.4Å
350A92.6Very high92.3Very high86 Ų8652.2 Ų52.271%0.71130%0.297SS*.THydrogen-bonded Turntrans47.840.4-178.800000113.9K352A350-K352 PolarHBondContact O-N 2.89Å
351G91.6Very high92.7Very high77 Ų7754.1 Ų54.179%0.79431%0.313SS*.THydrogen-bonded Turntrans73.7-0.4-178.600000115.5F349F349-G351 PolarHBondContact O-N 2.88Å; F349-G351 VanDerWaalsContact O-N 3.11Å
352K94.1Very high93.1Very high143 Ų14358.3 Ų58.362%0.62234%0.335SS*.EExtended strand (participates in β ladder)trans-104.3138.2178.5-64.7-177.3-179.3178.60110.8I348 F349 A350I348-K352 CarbonylContact C-O 3.51Å; I348-K352 VanDerWaalsContact CA-O 3.28Å; I348-K352 WeakPolarHBondContact CA-O 3.48Å; F349-K352 PolarHBondContact N-O 2.93Å; F349-K352 PolarHBondContact O-N 3.12Å; A350-K352 PolarHBondContact O-N 2.89Å
353Q94.8Very high93.3Very high81 Ų8159.3 Ų59.338%0.37934%0.337SS..EExtended strand (participates in β ladder)trans-71.9134.4166.5179.4178.9-34.200109R346R346-Q353 HydrophobicContact CG-CG 4.08Å; R346-Q353 VanDerWaalsContact CZ-OE1 3.26Å
354L96.4Very high93.8Very high5 Ų562 Ų623%0.02635%0.351CS..PPolyproline II helixtrans-82.7141.3178.8-55.8-173.5000110.4I327 L347 F349 Y363 I365 L371I327-L354 HydrophobicContact CB-CB 4.49Å; I327-L354 HydrophobicContact CD1-CB 3.94Å; I327-L354 HydrophobicContact CD1-CD1 3.63Å; I327-L354 HydrophobicContact CD1-CG 4.31Å; I327-L354 HydrophobicContact CG1-CB 3.89Å; I327-L354 HydrophobicContact CG2-CB 3.81Å; L347-L354 HydrophobicContact CB-CB 4.24Å; L347-L354 HydrophobicContact CB-CD1 4.01Å; L347-L354 HydrophobicContact CB-CG 4.32Å; L347-L354 PolarHBondContact O-N 2.92Å; F349-L354 HydrophobicContact CB-CD1 4.11Å; F349-L354 HydrophobicContact CB-CD2 3.91Å; F349-L354 HydrophobicContact CB-CG 4.29Å; L354-Y363 HydrophobicContact CB-CE2 4.21Å; L354-Y363 HydrophobicContact CD2-CD1 3.69Å; L354-Y363 HydrophobicContact CD2-CD2 3.7Å; L354-Y363 HydrophobicContact CD2-CE1 3.76Å; L354-Y363 HydrophobicContact CD2-CE2 3.73Å; L354-Y363 HydrophobicContact CD2-CG 3.65Å; L354-I365 HydrophobicContact CD1-CD1 3.89Å; L354-L371 HydrophobicContact CD1-CD2 3.56Å; L354-L371 HydrophobicContact CD1-CG 4.13Å
355E94.9Very high94.1Very high105 Ų10560.5 Ų60.549%0.49134%0.344SS..PPolyproline II helixtrans-101.9135.2-178.7-66.5170.2-174.200110.3I327 G357 R358 Y363I327-E355 VanDerWaalsContact CB-O 3.27Å; I327-E355 WeakPolarHBondContact CB-O 3.1Å; I327-E355 VanDerWaalsContact CG1-O 3.25Å; I327-E355 WeakPolarHBondContact CG1-O 3.26Å; E355-G357 VanDerWaalsContact C-N 3.34Å; E355-G357 PolarHBondContact O-N 3.23Å; E355-R358 HydrophobicContact CB-CG 4.32Å; E355-R358 PolarHBondContact O-N 3.42Å; E355-R358 VanDerWaalsContact O-N 3.14Å; E355-R358 IonicContact OE1-NH2 3.27Å; E355-R358 IonicContact OE2-CZ 2.66Å; E355-R358 VanDerWaalsContact OE2-CZ 3.31Å; E355-R358 IonicContact OE2-NE 2.69Å; E355-R358 PolarHBondContact OE2-NE 3.26Å; E355-R358 IonicContact OE2-NH2 2.8Å; E355-R358 PolarHBondContact OE2-NH2 3.31Å; E355-Y363 WeakPolarHBondContact CB-OH 3.42Å; E355-Y363 PolarHBondContact N-OH 3.03Å
356D91.9Very high94.1Very high69 Ų6965.5 Ų65.537%0.36937%0.368SS..THydrogen-bonded Turntrans-56.2-42.6-170-66.1-20.8000113.4I327 E328 K331 R358I327-D356 PolarHBondContact N-O 3.35Å; E328-D356 HydrophobicContact CB-CB 4.22Å; E328-D356 PolarHBondContact N-O 3.01Å; K331-D356 WeakPolarHBondContact CD-OD1 3.47Å; K331-D356 WeakPolarHBondContact CE-OD1 3.47Å; K331-D356 IonicContact NZ-OD1 3.28Å; K331-D356 PolarHBondContact NZ-OD1 2.8Å; K331-D356 IonicContact NZ-OD2 3.54Å; K331-D356 PolarHBondContact NZ-OD2 2.94Å; D356-R358 VanDerWaalsContact C-N 3.29Å; D356-R358 PolarHBondContact O-N 2.85Å
357G89.5Confident94Very high73 Ų7365.8 Ų65.875%0.75337%0.372SS*.THydrogen-bonded Turntrans-79.64-177.500000116.2E355E355-G357 VanDerWaalsContact C-N 3.34Å; E355-G357 PolarHBondContact O-N 3.23Å
358R92.5Very high93.8Very high103 Ų10371.9 Ų71.939%0.38940%0.4SS..SBendtrans-101.9157.6175.5-65.1-161-159.8-154.7-1.4111.2T326 I327 E355 D356 D362 Y363T326-R358 CarbonylContact C-O 3.6Å; T326-R358 WeakPolarHBondContact CA-O 3.25Å; I327-R358 WeakPolarHBondContact CG1-O 3.28Å; I327-R358 PolarHBondContact N-O 3.38Å; E355-R358 HydrophobicContact CB-CG 4.32Å; E355-R358 PolarHBondContact O-N 3.42Å; E355-R358 VanDerWaalsContact O-N 3.14Å; E355-R358 IonicContact OE1-NH2 3.27Å; E355-R358 IonicContact OE2-CZ 2.66Å; E355-R358 VanDerWaalsContact OE2-CZ 3.31Å; E355-R358 IonicContact OE2-NE 2.69Å; E355-R358 PolarHBondContact OE2-NE 3.26Å; E355-R358 IonicContact OE2-NH2 2.8Å; E355-R358 PolarHBondContact OE2-NH2 3.31Å; D356-R358 VanDerWaalsContact C-N 3.29Å; D356-R358 PolarHBondContact O-N 2.85Å; R358-D362 HydrophobicContact CB-CB 4.23Å; R358-Y363 HydrophobicContact CB-CD2 4.29Å; R358-Y363 HydrophobicContact CB-CE2 3.6Å; R358-Y363 HydrophobicContact CG-CE2 4.28Å
359T93.8Very high93.8Very high31 Ų3171 Ų7119%0.1940%0.397CS..BIsolated β-bridgetrans-89.6164.4177.266.10000112.6S324 D325 S361 D362 Y363S324-T359 WeakPolarHBondContact O-CG2 3.22Å; D325-T359 CarbonylContact O-C 3.49Å; D325-T359 WeakPolarHBondContact O-CA 3.35Å; T359-S361 PolarHBondContact O-N 3.38Å; T359-D362 PolarHBondContact N-OD2 3.14Å; T359-D362 PolarHBondContact O-N 3.3Å; T359-D362 PolarHBondContact OG1-N 3.03Å; T359-D362 VanDerWaalsContact OG1-N 3.11Å; T359-D362 PolarHBondContact OG1-OD2 2.94Å; T359-Y363 WeakPolarHBondContact O-CD2 3.21Å
360L95.4Very high93.8Very high0 Ų071.1 Ų71.10%040%0.402CS..THydrogen-bonded Turntrans-57.5-39.8168.8-71.1-175.8000111.8M305 I307 V321 D325 I327 V330 D362 Y363 N364 I365M305-L360 HydrophobicContact CE-CD1 4.38Å; I307-L360 HydrophobicContact CD1-CD1 4.21Å; I307-L360 HydrophobicContact CD1-CD2 4.32Å; V321-L360 HydrophobicContact CB-CD1 3.55Å; V321-L360 HydrophobicContact CG1-CD1 4.13Å; V321-L360 HydrophobicContact CG2-CD1 3.43Å; V321-L360 VanDerWaalsContact CG2-CD1 3.43Å; D325-L360 HydrophobicContact CB-CD1 4.3Å; D325-L360 HydrophobicContact CB-CG 4.48Å; D325-L360 PolarHBondContact O-N 2.88Å; I327-L360 HydrophobicContact CD1-CD2 3.94Å; V330-L360 HydrophobicContact CG2-CD1 4.07Å; V330-L360 HydrophobicContact CG2-CD2 3.93Å; V330-L360 HydrophobicContact CG2-CG 4.05Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-D362 PolarHBondContact O-N 3.17Å; L360-Y363 PolarHBondContact O-N 2.89Å; L360-N364 PolarHBondContact O-N 2.81Å; L360-I365 HydrophobicContact CB-CB 4.23Å; L360-I365 HydrophobicContact CD2-CB 4.14Å; L360-I365 HydrophobicContact CD2-CD1 3.57Å; L360-I365 HydrophobicContact CD2-CG1 4.45Å; L360-I365 HydrophobicContact CD2-CG2 4.06Å; L360-I365 WeakPolarHBondContact O-CB 3.27Å; L360-I365 PolarHBondContact O-N 2.8Å
361S94.1Very high94Very high68 Ų6867 Ų6748%0.47637%0.368SS..G310 helixtrans-63.6-35.6177.2-171.90000112.9P323 T359 Y363 N364P323-S361 VanDerWaalsContact O-CB 3.25Å; P323-S361 WeakPolarHBondContact O-CB 3.44Å; P323-S361 PolarHBondContact O-N 3.08Å; T359-S361 PolarHBondContact O-N 3.38Å; S361-Y363 PolarHBondContact O-N 2.8Å; S361-N364 WeakPolarHBondContact O-CA 3.25Å; S361-N364 PolarHBondContact O-N 2.75Å
362D93.7Very high94.3Very high96 Ų9668 Ų6851%0.51335%0.352SS..G310 helixtrans-62.5-29.1177.9-66-40000112.6R358 T359 L360R358-D362 HydrophobicContact CB-CB 4.23Å; T359-D362 PolarHBondContact N-OD2 3.14Å; T359-D362 PolarHBondContact O-N 3.3Å; T359-D362 PolarHBondContact OG1-N 3.03Å; T359-D362 VanDerWaalsContact OG1-N 3.11Å; T359-D362 PolarHBondContact OG1-OD2 2.94Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-D362 PolarHBondContact O-N 3.17Å
363Y94.5Very high94.4Very high38 Ų3861.4 Ų61.415%0.14932%0.323CS..G310 helixtrans-93.14174.3-69.9-71.7000113.4I327 L354 E355 R358 T359 L360 S361 I365I327-Y363 HydrophobicContact CD1-CD2 4.26Å; I327-Y363 HydrophobicContact CD1-CE2 4.36Å; I327-Y363 HydrophobicContact CG1-CD2 4.38Å; I327-Y363 HydrophobicContact CG1-CE2 4.02Å; L354-Y363 HydrophobicContact CB-CE2 4.21Å; L354-Y363 HydrophobicContact CD2-CD1 3.69Å; L354-Y363 HydrophobicContact CD2-CD2 3.7Å; L354-Y363 HydrophobicContact CD2-CE1 3.76Å; L354-Y363 HydrophobicContact CD2-CE2 3.73Å; L354-Y363 HydrophobicContact CD2-CG 3.65Å; E355-Y363 WeakPolarHBondContact CB-OH 3.42Å; E355-Y363 PolarHBondContact N-OH 3.03Å; R358-Y363 HydrophobicContact CB-CD2 4.29Å; R358-Y363 HydrophobicContact CB-CE2 3.6Å; R358-Y363 HydrophobicContact CG-CE2 4.28Å; T359-Y363 WeakPolarHBondContact O-CD2 3.21Å; L360-Y363 PolarHBondContact O-N 2.89Å; S361-Y363 PolarHBondContact O-N 2.8Å; Y363-I365 PolarHBondContact O-N 2.87Å
364N93.6Very high94.3Very high110 Ų11059.3 Ų59.359%0.58832%0.316SS*.THydrogen-bonded Turntrans52.837.5-174-166.835.4000112L360 S361 Q366L360-N364 PolarHBondContact O-N 2.81Å; S361-N364 WeakPolarHBondContact O-CA 3.25Å; S361-N364 PolarHBondContact O-N 2.75Å; N364-Q366 PolarHBondContact O-N 2.69Å; N364-Q366 PolarHBondContact OD1-NE2 3.29Å
365I94.7Very high93.9Very high2 Ų263.1 Ų63.11%0.0134%0.336CS..PPolyproline II helixtrans-76117.7175.2-65.9167000106.8M305 I307 F349 L354 L360 Y363 L371M305-I365 VanDerWaalsContact CE-O 3.26Å; M305-I365 WeakPolarHBondContact CE-O 3.43Å; I307-I365 HydrophobicContact CG2-CG2 3.94Å; F349-I365 HydrophobicContact CB-CD1 4.35Å; F349-I365 HydrophobicContact CD1-CD1 4.12Å; F349-I365 HydrophobicContact CD1-CG1 3.58Å; F349-I365 HydrophobicContact CD2-CG1 4.37Å; F349-I365 HydrophobicContact CE1-CG1 3.65Å; F349-I365 HydrophobicContact CE2-CG1 4.43Å; F349-I365 HydrophobicContact CG-CD1 4.17Å; F349-I365 HydrophobicContact CG-CG1 3.95Å; F349-I365 HydrophobicContact CZ-CG1 4.09Å; L354-I365 HydrophobicContact CD1-CD1 3.89Å; L360-I365 HydrophobicContact CB-CB 4.23Å; L360-I365 HydrophobicContact CD2-CB 4.14Å; L360-I365 HydrophobicContact CD2-CD1 3.57Å; L360-I365 HydrophobicContact CD2-CG1 4.45Å; L360-I365 HydrophobicContact CD2-CG2 4.06Å; L360-I365 WeakPolarHBondContact O-CB 3.27Å; L360-I365 PolarHBondContact O-N 2.8Å; Y363-I365 PolarHBondContact O-N 2.87Å; I365-L371 HydrophobicContact CD1-CD1 4.24Å; I365-L371 HydrophobicContact CD1-CD2 4.38Å; I365-L371 HydrophobicContact CG2-CD1 3.96Å
366Q92.9Very high93.3Very high105 Ų10563.1 Ų63.149%0.49133%0.331SS..PPolyproline II helixtrans-101.4168.9-176.6-63.6-60.7-33.400111.1N364 E368 S369N364-Q366 PolarHBondContact O-N 2.69Å; N364-Q366 PolarHBondContact OD1-NE2 3.29Å; Q366-E368 PolarHBondContact O-N 2.95Å; Q366-S369 PolarHBondContact N-OG 2.89Å; Q366-S369 WeakPolarHBondContact O-CB 3.37Å; Q366-S369 PolarHBondContact O-N 2.72Å; Q366-S369 PolarHBondContact O-OG 2.74Å
367K91.2Very high92Very high107 Ų10767.8 Ų67.847%0.46536%0.355SS..THydrogen-bonded Turntrans-48.6139.2169.2178.9169.4-180165.60110.7G304 M305 S369G304-K367 PolarHBondContact O-NZ 3.42Å; M305-K367 HydrophobicContact CG-CB 4.13Å; K367-S369 PolarHBondContact O-N 2.81Å
368E93.4Very high90.6Very high128 Ų12875.9 Ų75.960%0.59836%0.363SS*.THydrogen-bonded Turntrans64.89-176.9-65.7168.1-163.800115.4Q306 F308 Q366Q306-E368 WeakPolarHBondContact O-CA 3.4Å; Q306-E368 PolarHBondContact O-N 2.75Å; F308-E368 HydrophobicContact CE2-CB 3.94Å; F308-E368 HydrophobicContact CE2-CG 4Å; Q366-E368 PolarHBondContact O-N 2.95Å
369S96.8Very high89.2Confident20 Ų2073.1 Ų73.114%0.1437%0.367CS..  trans-61.3145.8171.6-66.50000111.4I307 F308 Q366 K367I307-S369 WeakPolarHBondContact CA-O 3.43Å; F308-S369 PolarHBondContact N-O 2.92Å; Q366-S369 PolarHBondContact N-OG 2.89Å; Q366-S369 WeakPolarHBondContact O-CB 3.37Å; Q366-S369 PolarHBondContact O-N 2.72Å; Q366-S369 PolarHBondContact O-OG 2.74Å; K367-S369 PolarHBondContact O-N 2.81Å
370T97.2Very high88.2Confident46 Ų4671.9 Ų71.928%0.28236%0.361SS..EExtended strand (participates in β ladder)trans-110.2117.4176.7-58.20000111F308 K310F308-T370 HydrophobicContact CB-CG2 4.29Å; F308-T370 CarbonylContact O-C 3.56Å; F308-T370 VanDerWaalsContact O-CA 3.28Å; F308-T370 WeakPolarHBondContact O-CA 3.41Å; K310-T370 HydrophobicContact CB-CG2 4.25Å; K310-T370 HydrophobicContact CD-CG2 3.74Å; K310-T370 HydrophobicContact CG-CG2 3.69Å
371L97.6Very high87.8Confident0 Ų073 Ų730%037%0.366CS..EExtended strand (participates in β ladder)trans-91.6155.5170-74.962.6000109.3I307 F308 V309 K310 L347 F349 L354 I365I307-L371 HydrophobicContact CD1-CD1 4.09Å; I307-L371 HydrophobicContact CD1-CD2 4.16Å; F308-L371 PolarHBondContact O-N 2.82Å; V309-L371 CarbonylContact C-O 3.59Å; V309-L371 WeakPolarHBondContact CA-O 3.1Å; V309-L371 HydrophobicContact CG2-CB 4.32Å; K310-L371 PolarHBondContact N-O 2.91Å; L347-L371 HydrophobicContact CD1-CD2 4.41Å; F349-L371 HydrophobicContact CB-CG 4.31Å; F349-L371 HydrophobicContact CD2-CD1 4.08Å; F349-L371 HydrophobicContact CD2-CG 4.4Å; L354-L371 HydrophobicContact CD1-CD2 3.56Å; L354-L371 HydrophobicContact CD1-CG 4.13Å; I365-L371 HydrophobicContact CD1-CD1 4.24Å; I365-L371 HydrophobicContact CD1-CD2 4.38Å; I365-L371 HydrophobicContact CG2-CD1 3.96Å
372H97.6Very high87.7Confident99 Ų9973.1 Ų73.146%0.45836%0.359SS..EExtended strand (participates in β ladder)trans-109.3128.7173.2-64.973.8000109.4K310 L347 I348K310-H372 CarbonylContact O-C 3.55Å; K310-H372 WeakPolarHBondContact O-CA 3.49Å; L347-H372 WeakPolarHBondContact CA-O 3.38Å; I348-H372 HydrophobicContact CB-CB 4.33Å; I348-H372 PolarHBondContact N-O 2.88Å; I348-H372 PolarHBondContact O-N 3.2Å
373L95.6Very high87.7Confident4 Ų468.5 Ų68.52%0.02133%0.334CS..EExtended strand (participates in β ladder)trans-100.3119.7175175.263.6000110.1V309 K310 T311 I334 I340 Q345 L347 L375V309-L373 HydrophobicContact CG1-CB 3.5Å; V309-L373 HydrophobicContact CG1-CD2 4.35Å; V309-L373 HydrophobicContact CG1-CG 4.5Å; K310-L373 PolarHBondContact O-N 2.67Å; T311-L373 HydrophobicContact CG2-CD2 4.46Å; I334-L373 HydrophobicContact CG2-CD2 4Å; I340-L373 HydrophobicContact CD1-CD2 4.02Å; Q345-L373 HydrophobicContact CB-CD1 3.76Å; Q345-L373 HydrophobicContact CG-CD1 3.97Å; L347-L373 HydrophobicContact CD2-CB 4.16Å; L347-L373 HydrophobicContact CD2-CD1 3.89Å; L373-L375 HydrophobicContact CD2-CD2 4.46Å; L373-L375 HydrophobicContact CG-CD2 4.41Å
374V92.3Very high87.8Confident37 Ų3769.2 Ų69.222%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-112127.2171.2175.20000108.2L312 R346 I348L312-V374 HydrophobicContact CD1-CG1 4.17Å; L312-V374 HydrophobicContact CD1-CG2 4.39Å; L312-V374 HydrophobicContact CD2-CG2 4.07Å; L312-V374 HydrophobicContact CG-CG2 4.27Å; R346-V374 WeakPolarHBondContact CA-O 3.48Å; R346-V374 HydrophobicContact CB-CB 4.22Å; R346-V374 WeakPolarHBondContact CB-O 3.46Å; R346-V374 PolarHBondContact N-O 2.84Å; R346-V374 PolarHBondContact O-N 2.92Å; I348-V374 HydrophobicContact CD1-CB 4.42Å; I348-V374 HydrophobicContact CD1-CG2 3.75Å
375L88.8Confident88Confident85 Ų8564 Ų6445%0.44531%0.31SS..EExtended strand (participates in β ladder)trans-80.4134.9176.6-60.8-178.8000110.6I340 L373I340-L375 HydrophobicContact CD1-CD2 4.03Å; I340-L375 HydrophobicContact CG1-CD2 4.42Å; I340-L375 HydrophobicContact CG2-CD2 3.57Å; L373-L375 HydrophobicContact CD2-CD2 4.46Å; L373-L375 HydrophobicContact CG-CD2 4.41Å
376R82.1Confident88Confident104 Ų10468.2 Ų68.239%0.39233%0.329SS..  trans-84.4116.5169.9-65.2172.8172.4170.4-2.7108.7D343 Q344 R346 R378D343-R376 VanDerWaalsContact O-CD 3.32Å; D343-R376 WeakPolarHBondContact O-CD 3.5Å; D343-R376 PolarHBondContact O-NH1 3.13Å; Q344-R376 PolarHBondContact O-N 2.86Å; R346-R376 HydrophobicContact CB-CG 4.41Å; R376-R378 VanDerWaalsContact C-N 3.3Å; R376-R378 PolarHBondContact O-N 2.92Å
377L64.8Low87.9Confident168 Ų16864.3 Ų64.388%0.8831%0.312SS*.THydrogen-bonded Turntrans-71.7-10.6-172.7-71.7169.7000115.7
378R59Low87.6Confident242 Ų24265.8 Ų65.891%0.91332%0.324SS*.THydrogen-bonded Turntrans-144.719.3-166.1-62-170.4-174.7178.52.1116.1R376R376-R378 VanDerWaalsContact C-N 3.3Å; R376-R378 PolarHBondContact O-N 2.92Å
379G63.2Low87.3Confident45 Ų4565.7 Ų65.746%0.46433%0.333SS..  trans-97.8-26.2-168.100000117.1
380G73.6Confident86.8Confident6 Ų667.4 Ų67.46%0.06235%0.353CS..  trans-67.3146.7-164.300000115.5D343 Q382 E396D343-G380 WeakPolarHBondContact OD2-CA 3.46Å; G380-Q382 PolarHBondContact O-N 3.33Å; G380-E396 WeakPolarHBondContact CA-OE2 3.33Å
381M87.4Confident86.5Confident24 Ų2470.1 Ų70.112%0.11836%0.361CS..EExtended strand (participates in β ladder)trans-71.6112.2160.4170.8179.8171.300108.1I383 V397 P399 I441 K443M381-I383 HydrophobicContact CE-CG2 4.21Å; M381-V397 WeakPolarHBondContact CB-O 3.47Å; M381-V397 HydrophobicContact CE-CG2 4.3Å; M381-V397 HydrophobicContact CG-CG2 4.09Å; M381-V397 WeakPolarHBondContact O-CG2 3.41Å; M381-V397 PolarHBondContact O-N 3.45Å; M381-P399 HydrophobicContact SD-CG 3.76Å; M381-I441 WeakPolarHBondContact CE-O 3.49Å; M381-K443 HydrophobicContact CG-CB 4.09Å
382Q90.6Very high86.4Confident69 Ų6973.2 Ų73.232%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-97.1142173.7-71.6176.620.300110.2G380 T394 L395 E396 E444G380-Q382 PolarHBondContact O-N 3.33Å; Q382-T394 HydrophobicContact CB-CG2 4.18Å; Q382-T394 HydrophobicContact CG-CG2 4.15Å; Q382-L395 CarbonylContact C-O 3.57Å; Q382-L395 VanDerWaalsContact CA-O 3.28Å; Q382-L395 WeakPolarHBondContact CA-O 3.36Å; Q382-E396 WeakPolarHBondContact CG-OE1 3.29Å; Q382-E396 VanDerWaalsContact CG-OE2 3.32Å; Q382-E396 WeakPolarHBondContact CG-OE2 3.47Å; Q382-E396 PolarHBondContact NE2-OE1 3.25Å; Q382-E444 WeakPolarHBondContact O-CA 3.46Å; Q382-E444 PolarHBondContact O-N 3.33Å
383I94.7Very high86.2Confident0 Ų068.8 Ų68.80%036%0.36CS..EExtended strand (participates in β ladder)trans-121.7162.1163.364.2171.4000109.5M381 L395 V397 V406 L436 I441 S445 L447M381-I383 HydrophobicContact CE-CG2 4.21Å; I383-L395 HydrophobicContact CG1-CB 4.02Å; I383-L395 PolarHBondContact N-O 3.28Å; I383-L395 PolarHBondContact O-N 3.41Å; I383-V397 HydrophobicContact CB-CG2 4.24Å; I383-V397 HydrophobicContact CD1-CG1 3.86Å; I383-V397 HydrophobicContact CD1-CG2 4.07Å; I383-V397 HydrophobicContact CG1-CG1 3.88Å; I383-V397 HydrophobicContact CG1-CG2 3.79Å; I383-V397 HydrophobicContact CG2-CG2 3.66Å; I383-V406 HydrophobicContact CD1-CG1 4.25Å; I383-L436 HydrophobicContact CD1-CD1 4.23Å; I383-L436 HydrophobicContact CD1-CD2 4.36Å; I383-I441 HydrophobicContact CG2-CG2 3.92Å; I383-S445 WeakPolarHBondContact CA-O 3.34Å; I383-L447 HydrophobicContact CD1-CD1 4.16Å; I383-L447 HydrophobicContact CD1-CD2 4.18Å
384F97.1Very high86.1Confident52 Ų5271 Ų7123%0.22837%0.374CS..EExtended strand (participates in β ladder)trans-111.6139.1177.1-55.1-70.8000110T392 I393 T394 E444 S445 T446 L447F384-T392 HydrophobicContact CB-CG2 3.87Å; F384-T392 HydrophobicContact CD1-CG2 4.12Å; F384-T392 HydrophobicContact CG-CG2 4.33Å; F384-I393 CarbonylContact C-O 3.58Å; F384-I393 WeakPolarHBondContact CA-O 3.25Å; F384-T394 HydrophobicContact CD1-CG2 4.23Å; F384-T394 HydrophobicContact CE1-CG2 3.96Å; F384-E444 WeakPolarHBondContact CD2-O 3.45Å; F384-E444 HydrophobicContact CE2-CB 3.87Å; F384-E444 HydrophobicContact CE2-CG 3.97Å; F384-E444 HydrophobicContact CZ-CG 4.41Å; F384-S445 PolarHBondContact N-O 3.03Å; F384-T446 HydrophobicContact CB-CG2 4.28Å; F384-T446 CarbonylContact O-C 3.6Å; F384-T446 VanDerWaalsContact O-CA 3.27Å; F384-T446 WeakPolarHBondContact O-CA 3.13Å; F384-L447 PolarHBondContact O-N 3.11Å
385V96.8Very high86Confident0 Ų069.3 Ų69.30%036%0.363CS..EExtended strand (participates in β ladder)trans-118.5111.4174-179.10000108.3T392 I393 L395 I410 L423 L447 L449V385-T392 WeakPolarHBondContact O-CA 3.42Å; V385-I393 HydrophobicContact CB-CB 4.28Å; V385-I393 PolarHBondContact N-O 3.25Å; V385-I393 PolarHBondContact O-N 2.99Å; V385-L395 HydrophobicContact CG2-CD1 3.5Å; V385-L395 VanDerWaalsContact CG2-CD1 3.5Å; V385-L395 HydrophobicContact CG2-CG 4.11Å; V385-I410 HydrophobicContact CG1-CD1 4.11Å; V385-I410 HydrophobicContact CG2-CD1 4.18Å; V385-L423 HydrophobicContact CG1-CD2 4.11Å; V385-L447 CarbonylContact C-O 3.45Å; V385-L447 WeakPolarHBondContact CA-O 3.48Å; V385-L447 HydrophobicContact CG2-CB 4.31Å; V385-L449 HydrophobicContact CG1-CB 3.53Å; V385-L449 HydrophobicContact CG1-CD2 4.44Å
386K96.1Very high86Confident91 Ų9167.8 Ų67.840%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-90.1122.9176.5-77.7-172.4-179.6-177.30110.7T392 T446 L447 H448 L449K386-T392 HydrophobicContact CG-CG2 4.29Å; K386-T392 WeakPolarHBondContact CG-OG1 3.12Å; K386-T446 HydrophobicContact CB-CG2 4.23Å; K386-T446 HydrophobicContact CD-CG2 3.77Å; K386-T446 HydrophobicContact CG-CG2 3.69Å; K386-L447 PolarHBondContact N-O 3.47Å; K386-H448 CarbonylContact O-C 3.44Å; K386-H448 WeakPolarHBondContact O-CA 3.41Å; K386-L449 PolarHBondContact O-N 2.96Å
387T90.6Very high86.5Confident24 Ų2463 Ų6315%0.14734%0.336CS..EExtended strand (participates in β ladder)trans-79.9162.7171.865.70000111T389 G390 K391 I393 L449T387-T389 PolarHBondContact O-N 3.11Å; T387-T389 PolarHBondContact OG1-OG1 3.37Å; T387-G390 PolarHBondContact O-N 2.81Å; T387-K391 HydrophobicContact CG2-CB 4.42Å; T387-K391 PolarHBondContact N-O 2.91Å; T387-K391 WeakPolarHBondContact OG1-CB 3.32Å; T387-K391 PolarHBondContact OG1-N 3.27Å; T387-K391 VanDerWaalsContact OG1-N 3.13Å; T387-K391 PolarHBondContact OG1-O 2.97Å; T387-I393 HydrophobicContact CG2-CD1 3.79Å; T387-L449 HydrophobicContact CG2-CD2 4.36Å
388L84.4Confident87.6Confident137 Ų13756.6 Ų56.672%0.71730%0.302SS*.THydrogen-bonded Turntrans-61.7-21.9174.2-69.6177.4000113.9G390 V450L388-G390 PolarHBondContact O-N 2.86Å; L388-V450 HydrophobicContact CD1-CG1 4.21Å; L388-V450 HydrophobicContact CD1-CG2 4.43Å; L388-V450 HydrophobicContact CD2-CG2 4.19Å; L388-V450 HydrophobicContact CG-CG2 4.36Å
389T86Confident89.1Confident127 Ų12748.2 Ų48.278%0.77928%0.279SS*.THydrogen-bonded Turntrans-81.5-4.1176630000112.7T387T387-T389 PolarHBondContact O-N 3.11Å; T387-T389 PolarHBondContact OG1-OG1 3.37Å
390G86.5Confident90.3Very high55 Ų5549.5 Ų49.557%0.56728%0.281SS*.SBendtrans89.6-8.3-176.400000114.4T387 L388 T392T387-G390 PolarHBondContact O-N 2.81Å; L388-G390 PolarHBondContact O-N 2.86Å; G390-T392 PolarHBondContact O-N 2.91Å
391K92.6Very high91.2Very high103 Ų10349.5 Ų49.545%0.44828%0.279SS..  trans-60.8131.6172.4-178.2-177.9174.8-171.90109.5T387 E414T387-K391 HydrophobicContact CG2-CB 4.42Å; T387-K391 PolarHBondContact N-O 2.91Å; T387-K391 WeakPolarHBondContact OG1-CB 3.32Å; T387-K391 PolarHBondContact OG1-N 3.27Å; T387-K391 VanDerWaalsContact OG1-N 3.13Å; T387-K391 PolarHBondContact OG1-O 2.97Å; K391-E414 WeakPolarHBondContact CE-OE1 3.27Å; K391-E414 IonicContact NZ-OE1 2.87Å; K391-E414 PolarHBondContact NZ-OE1 3.22Å; K391-E414 IonicContact NZ-OE2 3.35Å; K391-E414 PolarHBondContact NZ-OE2 3.26Å
392T94.2Very high91.5Very high65 Ų6550 Ų5040%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-106.4126.5176-58.20000108.9F384 V385 K386 G390F384-T392 HydrophobicContact CB-CG2 3.87Å; F384-T392 HydrophobicContact CD1-CG2 4.12Å; F384-T392 HydrophobicContact CG-CG2 4.33Å; V385-T392 WeakPolarHBondContact O-CA 3.42Å; K386-T392 HydrophobicContact CG-CG2 4.29Å; K386-T392 WeakPolarHBondContact CG-OG1 3.12Å; G390-T392 PolarHBondContact O-N 2.91Å
393I92.9Very high91.7Very high6 Ų646.7 Ų46.73%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-106.3126.3178.5-56.3151.2000107.2F384 V385 T387 L395 K413 E414F384-I393 CarbonylContact C-O 3.58Å; F384-I393 WeakPolarHBondContact CA-O 3.25Å; V385-I393 HydrophobicContact CB-CB 4.28Å; V385-I393 PolarHBondContact N-O 3.25Å; V385-I393 PolarHBondContact O-N 2.99Å; T387-I393 HydrophobicContact CG2-CD1 3.79Å; I393-L395 HydrophobicContact CG2-CD2 3.79Å; I393-L395 HydrophobicContact CG2-CG 4.33Å; I393-K413 HydrophobicContact CG2-CD 4.2Å; I393-E414 HydrophobicContact CD1-CG 3.59Å; I393-E414 HydrophobicContact CG1-CG 4.03Å; I393-E414 HydrophobicContact CG2-CG 4.49Å
394T93.5Very high91.7Very high52 Ų5252.3 Ų52.332%0.31929%0.294SS..EExtended strand (participates in β ladder)trans-90.6126.8173.9-52.50000109.2Q382 F384 K413Q382-T394 HydrophobicContact CB-CG2 4.18Å; Q382-T394 HydrophobicContact CG-CG2 4.15Å; F384-T394 HydrophobicContact CD1-CG2 4.23Å; F384-T394 HydrophobicContact CE1-CG2 3.96Å; T394-K413 PolarHBondContact O-NZ 3.17Å
395L91.6Very high91.4Very high1 Ų153.1 Ų53.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-117.2136.2176.8-58.1-179.8000110.1Q382 I383 V385 I393 V397 V406 K409 I410 K413Q382-L395 CarbonylContact C-O 3.57Å; Q382-L395 VanDerWaalsContact CA-O 3.28Å; Q382-L395 WeakPolarHBondContact CA-O 3.36Å; I383-L395 HydrophobicContact CG1-CB 4.02Å; I383-L395 PolarHBondContact N-O 3.28Å; I383-L395 PolarHBondContact O-N 3.41Å; V385-L395 HydrophobicContact CG2-CD1 3.5Å; V385-L395 VanDerWaalsContact CG2-CD1 3.5Å; V385-L395 HydrophobicContact CG2-CG 4.11Å; I393-L395 HydrophobicContact CG2-CD2 3.79Å; I393-L395 HydrophobicContact CG2-CG 4.33Å; L395-V397 HydrophobicContact CB-CG1 4.01Å; L395-V406 HydrophobicContact CD1-CG1 3.81Å; L395-K409 HydrophobicContact CD2-CB 4.33Å; L395-I410 HydrophobicContact CD1-CD1 4.08Å; L395-I410 HydrophobicContact CD1-CG1 3.56Å; L395-I410 HydrophobicContact CD2-CG1 4.31Å; L395-K413 HydrophobicContact CD2-CD 3.93Å
396E88.9Confident91.3Very high52 Ų5253.1 Ų53.124%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-87.1124.3167-63.1-66.9163.900108.3P341 Q344 G380 Q382 K409P341-E396 HydrophobicContact CG-CB 4.32Å; Q344-E396 PolarHBondContact NE2-OE2 3.2Å; G380-E396 WeakPolarHBondContact CA-OE2 3.33Å; Q382-E396 WeakPolarHBondContact CG-OE1 3.29Å; Q382-E396 VanDerWaalsContact CG-OE2 3.32Å; Q382-E396 WeakPolarHBondContact CG-OE2 3.47Å; Q382-E396 PolarHBondContact NE2-OE1 3.25Å; E396-K409 WeakPolarHBondContact O-CD 3.27Å; E396-K409 PolarHBondContact O-NZ 3.22Å
397V91Very high91.2Very high3 Ų349.2 Ų49.22%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-142.1162.7-171.8-62.40000111.3M381 I383 L395 D401 V406 K409 L436M381-V397 WeakPolarHBondContact CB-O 3.47Å; M381-V397 HydrophobicContact CE-CG2 4.3Å; M381-V397 HydrophobicContact CG-CG2 4.09Å; M381-V397 WeakPolarHBondContact O-CG2 3.41Å; M381-V397 PolarHBondContact O-N 3.45Å; I383-V397 HydrophobicContact CB-CG2 4.24Å; I383-V397 HydrophobicContact CD1-CG1 3.86Å; I383-V397 HydrophobicContact CD1-CG2 4.07Å; I383-V397 HydrophobicContact CG1-CG1 3.88Å; I383-V397 HydrophobicContact CG1-CG2 3.79Å; I383-V397 HydrophobicContact CG2-CG2 3.66Å; L395-V397 HydrophobicContact CB-CG1 4.01Å; V397-D401 VanDerWaalsContact CA-OD2 3.27Å; V397-D401 WeakPolarHBondContact CA-OD2 3.48Å; V397-V406 HydrophobicContact CG1-CG2 4.31Å; V397-K409 HydrophobicContact CG1-CD 4.11Å; V397-L436 HydrophobicContact CB-CD1 3.54Å; V397-L436 HydrophobicContact CG1-CD1 4.08Å; V397-L436 HydrophobicContact CG2-CD1 3.44Å; V397-L436 VanDerWaalsContact CG2-CD1 3.44Å
398E89Confident91.2Very high34 Ų3449.8 Ų49.816%0.15929%0.291CS..  trans-114.3153.1170.3-62.4-170.3163.500110.8P342 S400 D401P342-E398 WeakPolarHBondContact CD-OE1 3.29Å; E398-S400 PolarHBondContact O-N 2.82Å; E398-S400 VanDerWaalsContact O-N 3.13Å; E398-D401 PolarHBondContact N-OD2 2.8Å; E398-D401 VanDerWaalsContact O-CB 3.29Å; E398-D401 WeakPolarHBondContact O-CB 3.47Å; E398-D401 PolarHBondContact O-N 2.81Å
399P90.8Very high91.6Very high66 Ų6645 Ų4543%0.42927%0.265SS..THydrogen-bonded Turntrans-56.7-29.5176.5-24.633.4000113.7M381 D401 L436 S437M381-P399 HydrophobicContact SD-CG 3.76Å; P399-D401 VanDerWaalsContact C-N 3.35Å; P399-L436 PolarHBondContact O-N 3.25Å; P399-S437 VanDerWaalsContact O-CB 3.24Å; P399-S437 WeakPolarHBondContact O-CB 3.43Å; P399-S437 PolarHBondContact O-N 3.11Å
400S88.6Confident91.9Very high72 Ų7238.9 Ų38.950%0.50323%0.227SC..THydrogen-bonded Turntrans-77-14.5175.943.40000113.9E398 T402 T435E398-S400 PolarHBondContact O-N 2.82Å; E398-S400 VanDerWaalsContact O-N 3.13Å; S400-T402 PolarHBondContact O-N 2.83Å; S400-T435 WeakPolarHBondContact O-CG2 3.31Å
401D91.7Very high92Very high6 Ų638.4 Ų38.43%0.03221%0.21CC..  trans-59.7130179.2-86.1-33.2000110V397 E398 P399 N405 V406 K409 T435 L436V397-D401 VanDerWaalsContact CA-OD2 3.27Å; V397-D401 WeakPolarHBondContact CA-OD2 3.48Å; E398-D401 PolarHBondContact N-OD2 2.8Å; E398-D401 VanDerWaalsContact O-CB 3.29Å; E398-D401 WeakPolarHBondContact O-CB 3.47Å; E398-D401 PolarHBondContact O-N 2.81Å; P399-D401 VanDerWaalsContact C-N 3.35Å; D401-N405 HydrophobicContact CB-CB 4.2Å; D401-N405 PolarHBondContact OD1-ND2 3.29Å; D401-V406 HydrophobicContact CB-CG2 4.45Å; D401-K409 VanDerWaalsContact OD2-CE 3.22Å; D401-K409 WeakPolarHBondContact OD2-CE 3.44Å; D401-K409 IonicContact OD2-NZ 3.32Å; D401-T435 CarbonylContact O-C 3.59Å; D401-T435 WeakPolarHBondContact O-CA 3.37Å; D401-L436 HydrophobicContact CB-CD1 4.31Å; D401-L436 HydrophobicContact CB-CG 4.49Å; D401-L436 PolarHBondContact O-N 2.8Å
402T93.6Very high91.6Very high35 Ų3539.7 Ų39.722%0.21522%0.222CC..BIsolated β-bridgetrans-71.6159.9170.965.20000110.5S400 E404 N405 V406 R434 T435S400-T402 PolarHBondContact O-N 2.83Å; T402-E404 PolarHBondContact O-N 2.99Å; T402-N405 WeakPolarHBondContact O-CB 3.34Å; T402-N405 PolarHBondContact O-N 3.26Å; T402-N405 VanDerWaalsContact O-N 3.08Å; T402-N405 PolarHBondContact OG1-N 2.75Å; T402-N405 VanDerWaalsContact OG1-N 3.1Å; T402-N405 PolarHBondContact OG1-OD1 2.8Å; T402-N405 VanDerWaalsContact OG1-OD1 3.05Å; T402-V406 WeakPolarHBondContact O-CG2 3.41Å; T402-V406 PolarHBondContact O-N 3.5Å; T402-R434 CarbonylContact C-O 3.56Å; T402-R434 WeakPolarHBondContact CA-O 3.23Å; T402-T435 HydrophobicContact CG2-CG2 4.47Å
403I95.4Very high91.3Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-63.3-31173.9-60.9-55.8000111V406 K407 L423 L430 E431 D432 R434 L436 Y439I403-V406 PolarHBondContact O-N 2.82Å; I403-K407 WeakPolarHBondContact O-CG 3.48Å; I403-K407 PolarHBondContact O-N 2.66Å; I403-L423 HydrophobicContact CG2-CD1 4.16Å; I403-L430 HydrophobicContact CB-CB 4.49Å; I403-L430 HydrophobicContact CD1-CB 3.93Å; I403-L430 HydrophobicContact CD1-CD1 3.6Å; I403-L430 HydrophobicContact CD1-CG 4.29Å; I403-L430 HydrophobicContact CG1-CB 3.88Å; I403-L430 HydrophobicContact CG1-CD1 4.48Å; I403-L430 HydrophobicContact CG2-CB 3.83Å; I403-E431 VanDerWaalsContact CB-O 3.29Å; I403-E431 WeakPolarHBondContact CB-O 3.47Å; I403-E431 VanDerWaalsContact CG1-O 3.26Å; I403-E431 WeakPolarHBondContact CG1-O 3.1Å; I403-D432 PolarHBondContact N-O 3.05Å; I403-R434 WeakPolarHBondContact CG1-O 3.29Å; I403-R434 PolarHBondContact N-O 2.84Å; I403-L436 HydrophobicContact CD1-CD2 3.93Å; I403-Y439 HydrophobicContact CD1-CD2 4.26Å; I403-Y439 HydrophobicContact CD1-CE2 4.36Å; I403-Y439 HydrophobicContact CG1-CD2 4.38Å; I403-Y439 HydrophobicContact CG1-CE2 4.02Å
404E93.7Very high91.2Very high117 Ų11745 Ų4555%0.54724%0.241SC..Hα-helixtrans-59.5-46.3169.1-170169.7-163.700112.2T402 V406 K407 A408 D432T402-E404 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 2.77Å; E404-K407 WeakPolarHBondContact O-CB 3.17Å; E404-K407 PolarHBondContact O-N 2.97Å; E404-K407 VanDerWaalsContact O-N 3.11Å; E404-A408 PolarHBondContact O-N 2.8Å; E404-D432 HydrophobicContact CB-CB 4.25Å; E404-D432 PolarHBondContact N-O 2.85Å; E404-D432 VanDerWaalsContact N-O 3.12Å
405N91.9Very high90.6Very high70 Ų7045.3 Ų45.337%0.37425%0.254SS..Hα-helixtrans-59-42.9174.4-64.7-2.2000111.5D401 T402 K407 A408 K409D401-N405 HydrophobicContact CB-CB 4.2Å; D401-N405 PolarHBondContact OD1-ND2 3.29Å; T402-N405 WeakPolarHBondContact O-CB 3.34Å; T402-N405 PolarHBondContact O-N 3.26Å; T402-N405 VanDerWaalsContact O-N 3.08Å; T402-N405 PolarHBondContact OG1-N 2.75Å; T402-N405 VanDerWaalsContact OG1-N 3.1Å; T402-N405 PolarHBondContact OG1-OD1 2.8Å; T402-N405 VanDerWaalsContact OG1-OD1 3.05Å; N405-K407 VanDerWaalsContact C-N 3.29Å; N405-K407 PolarHBondContact O-N 3.25Å; N405-A408 PolarHBondContact O-N 3.19Å; N405-K409 WeakPolarHBondContact O-CG 3.38Å; N405-K409 PolarHBondContact O-N 3.36Å
406V94.6Very high90.3Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-62.2-39.9177.4178.40000110.9I383 L395 V397 D401 T402 I403 E404 K409 I410 L423 L436I383-V406 HydrophobicContact CD1-CG1 4.25Å; L395-V406 HydrophobicContact CD1-CG1 3.81Å; V397-V406 HydrophobicContact CG1-CG2 4.31Å; D401-V406 HydrophobicContact CB-CG2 4.45Å; T402-V406 WeakPolarHBondContact O-CG2 3.41Å; T402-V406 PolarHBondContact O-N 3.5Å; I403-V406 PolarHBondContact O-N 2.82Å; E404-V406 VanDerWaalsContact C-N 3.31Å; E404-V406 PolarHBondContact O-N 2.77Å; V406-K409 PolarHBondContact O-N 3.47Å; V406-I410 HydrophobicContact CG1-CD1 4.27Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.23Å; V406-L423 HydrophobicContact CB-CD1 4.26Å; V406-L423 HydrophobicContact CG1-CD1 3.74Å; V406-L436 HydrophobicContact CG2-CD1 4.1Å; V406-L436 HydrophobicContact CG2-CD2 3.95Å; V406-L436 HydrophobicContact CG2-CG 4.09Å
407K94.3Very high89.9Confident8 Ų844.3 Ų44.34%0.03525%0.25CS..Hα-helixtrans-65.9-42.7175.8-72.1172.5163.9-167.50112.3I403 E404 N405 K409 I410 Q411 P418 Q421 L423 D432I403-K407 WeakPolarHBondContact O-CG 3.48Å; I403-K407 PolarHBondContact O-N 2.66Å; E404-K407 WeakPolarHBondContact O-CB 3.17Å; E404-K407 PolarHBondContact O-N 2.97Å; E404-K407 VanDerWaalsContact O-N 3.11Å; N405-K407 VanDerWaalsContact C-N 3.29Å; N405-K407 PolarHBondContact O-N 3.25Å; K407-K409 VanDerWaalsContact C-N 3.31Å; K407-K409 PolarHBondContact O-N 3.28Å; K407-I410 WeakPolarHBondContact O-CB 3.39Å; K407-I410 PolarHBondContact O-N 2.95Å; K407-I410 VanDerWaalsContact O-N 3.12Å; K407-Q411 PolarHBondContact O-N 3Å; K407-P418 HydrophobicContact CB-CB 3.84Å; K407-P418 HydrophobicContact CB-CG 4.25Å; K407-P418 HydrophobicContact CD-CB 4.2Å; K407-P418 PolarHBondContact NZ-O 2.89Å; K407-Q421 VanDerWaalsContact CA-OE1 3.22Å; K407-Q421 HydrophobicContact CD-CB 4.33Å; K407-Q421 WeakPolarHBondContact CE-O 3.46Å; K407-Q421 HydrophobicContact CG-CB 4.04Å; K407-Q421 PolarHBondContact NZ-O 3.23Å; K407-Q421 PolarHBondContact O-NE2 2.88Å; K407-Q421 PolarHBondContact O-OE1 3.49Å; K407-L423 HydrophobicContact CG-CD1 3.87Å; K407-L423 HydrophobicContact CG-CG 4.42Å; K407-D432 WeakPolarHBondContact CD-OD1 3.36Å; K407-D432 WeakPolarHBondContact CE-OD1 3.42Å; K407-D432 VanDerWaalsContact NZ-CG 3.32Å; K407-D432 IonicContact NZ-OD1 3.73Å; K407-D432 PolarHBondContact NZ-OD1 2.96Å; K407-D432 IonicContact NZ-OD2 2.69Å; K407-D432 PolarHBondContact NZ-OD2 3.4Å
408A90.9Very high89.8Confident36 Ų3645.2 Ų45.230%0.29826%0.256SS..Hα-helixtrans-57.6-45.217300000110.9E404 N405 I410 Q411 D412E404-A408 PolarHBondContact O-N 2.8Å; N405-A408 PolarHBondContact O-N 3.19Å; A408-I410 VanDerWaalsContact C-N 3.27Å; A408-I410 PolarHBondContact O-N 2.87Å; A408-Q411 CarbonylContact O-C 3.48Å; A408-Q411 WeakPolarHBondContact O-CA 3.49Å; A408-Q411 VanDerWaalsContact O-CB 3.27Å; A408-Q411 WeakPolarHBondContact O-CB 3.18Å; A408-Q411 PolarHBondContact O-N 2.72Å; A408-D412 VanDerWaalsContact O-CG 3.28Å; A408-D412 PolarHBondContact O-N 2.9Å
409K91.7Very high89.4Confident36 Ų3646.3 Ų46.316%0.15726%0.263CS..Hα-helixtrans-60.4-33.8175.3-68.6167.4-172.7-93.90113.4L395 E396 V397 D401 N405 V406 K407 K413L395-K409 HydrophobicContact CD2-CB 4.33Å; E396-K409 WeakPolarHBondContact O-CD 3.27Å; E396-K409 PolarHBondContact O-NZ 3.22Å; V397-K409 HydrophobicContact CG1-CD 4.11Å; D401-K409 VanDerWaalsContact OD2-CE 3.22Å; D401-K409 WeakPolarHBondContact OD2-CE 3.44Å; D401-K409 IonicContact OD2-NZ 3.32Å; N405-K409 WeakPolarHBondContact O-CG 3.38Å; N405-K409 PolarHBondContact O-N 3.36Å; V406-K409 PolarHBondContact O-N 3.47Å; K407-K409 VanDerWaalsContact C-N 3.31Å; K407-K409 PolarHBondContact O-N 3.28Å; K409-K413 WeakPolarHBondContact O-CG 3.35Å; K409-K413 PolarHBondContact O-N 3.32Å
410I92.1Very high89.2Confident0 Ų044.7 Ų44.70%025%0.25CS..Hα-helixtrans-71.4-40173.4-66.6162.9000110.5V385 L395 V406 K407 A408 D412 K413 E414 I416 Q421 L423 L449V385-I410 HydrophobicContact CG1-CD1 4.11Å; V385-I410 HydrophobicContact CG2-CD1 4.18Å; L395-I410 HydrophobicContact CD1-CD1 4.08Å; L395-I410 HydrophobicContact CD1-CG1 3.56Å; L395-I410 HydrophobicContact CD2-CG1 4.31Å; V406-I410 HydrophobicContact CG1-CD1 4.27Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.23Å; K407-I410 WeakPolarHBondContact O-CB 3.39Å; K407-I410 PolarHBondContact O-N 2.95Å; K407-I410 VanDerWaalsContact O-N 3.12Å; A408-I410 VanDerWaalsContact C-N 3.27Å; A408-I410 PolarHBondContact O-N 2.87Å; I410-D412 VanDerWaalsContact C-N 3.32Å; I410-D412 PolarHBondContact O-N 2.84Å; I410-K413 PolarHBondContact O-N 3.04Å; I410-E414 HydrophobicContact CG2-CB 4.43Å; I410-E414 WeakPolarHBondContact O-CB 3.29Å; I410-E414 PolarHBondContact O-N 3.2Å; I410-I416 HydrophobicContact CG2-CD1 4.36Å; I410-Q421 VanDerWaalsContact CB-OE1 3.28Å; I410-Q421 VanDerWaalsContact CD1-OE1 3.22Å; I410-L423 HydrophobicContact CD1-CD1 4.02Å; I410-L423 HydrophobicContact CD1-CD2 3.65Å; I410-L423 HydrophobicContact CD1-CG 4.36Å; I410-L449 HydrophobicContact CG2-CD2 3.97Å
411Q89Confident89.3Confident44 Ų4441.3 Ų41.321%0.20623%0.226CC..Hα-helixtrans-59.4-45.6174.6-176.6-177.613.500110.7K407 A408 K413 G415 I416K407-Q411 PolarHBondContact O-N 3Å; A408-Q411 CarbonylContact O-C 3.48Å; A408-Q411 WeakPolarHBondContact O-CA 3.49Å; A408-Q411 VanDerWaalsContact O-CB 3.27Å; A408-Q411 WeakPolarHBondContact O-CB 3.18Å; A408-Q411 PolarHBondContact O-N 2.72Å; Q411-K413 VanDerWaalsContact C-N 3.28Å; Q411-K413 PolarHBondContact O-N 2.88Å; Q411-G415 WeakPolarHBondContact O-CA 3.25Å; Q411-G415 PolarHBondContact O-N 2.71Å; Q411-I416 VanDerWaalsContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CB-O 3.4Å; Q411-I416 WeakPolarHBondContact CG-O 3.48Å
412D84.4Confident89.3Confident131 Ų13145.8 Ų45.870%0.70124%0.243SC*.Hα-helixtrans-62.8-35.9179.4-63.4-26.5000112.2A408 I410A408-D412 VanDerWaalsContact O-CG 3.28Å; A408-D412 PolarHBondContact O-N 2.9Å; I410-D412 VanDerWaalsContact C-N 3.32Å; I410-D412 PolarHBondContact O-N 2.84Å
413K88.8Confident89.4Confident120 Ų12044.1 Ų44.152%0.52223%0.233SC..Hα-helixtrans-85-34.8-179.6-73.9-155.5178.4-1640114.8I393 T394 L395 K409 I410 Q411I393-K413 HydrophobicContact CG2-CD 4.2Å; T394-K413 PolarHBondContact O-NZ 3.17Å; L395-K413 HydrophobicContact CD2-CD 3.93Å; K409-K413 WeakPolarHBondContact O-CG 3.35Å; K409-K413 PolarHBondContact O-N 3.32Å; I410-K413 PolarHBondContact O-N 3.04Å; Q411-K413 VanDerWaalsContact C-N 3.28Å; Q411-K413 PolarHBondContact O-N 2.88Å
414E88.8Confident89.5Confident63 Ų6345.8 Ų45.829%0.29424%0.241SC..Hα-helixtrans-122.6-4.8-168-61.6-71.4138.600113.4K391 I393 I410 I416K391-E414 WeakPolarHBondContact CE-OE1 3.27Å; K391-E414 IonicContact NZ-OE1 2.87Å; K391-E414 PolarHBondContact NZ-OE1 3.22Å; K391-E414 IonicContact NZ-OE2 3.35Å; K391-E414 PolarHBondContact NZ-OE2 3.26Å; I393-E414 HydrophobicContact CD1-CG 3.59Å; I393-E414 HydrophobicContact CG1-CG 4.03Å; I393-E414 HydrophobicContact CG2-CG 4.49Å; I410-E414 HydrophobicContact CG2-CB 4.43Å; I410-E414 WeakPolarHBondContact O-CB 3.29Å; I410-E414 PolarHBondContact O-N 3.2Å; E414-I416 HydrophobicContact CB-CD1 3.63Å; E414-I416 HydrophobicContact CB-CG1 4Å; E414-I416 HydrophobicContact CG-CD1 4.46Å; E414-I416 PolarHBondContact O-N 3.01Å
415G82.7Confident89.6Confident58 Ų5842.2 Ų42.260%0.59822%0.224SC*.  trans71.613-179.300000114.6Q411 P417Q411-G415 WeakPolarHBondContact O-CA 3.25Å; Q411-G415 PolarHBondContact O-N 2.71Å; G415-P417 WeakPolarHBondContact O-CD 3.45Å
416I83.6Confident89.6Confident24 Ų2443.1 Ų43.112%0.12324%0.241CC..  trans-90.3118.4-175.1-58.2159.5000109.3I410 Q411 E414 Q420 Q421 L449 L451I410-I416 HydrophobicContact CG2-CD1 4.36Å; Q411-I416 VanDerWaalsContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CA-O 3.26Å; Q411-I416 WeakPolarHBondContact CB-O 3.4Å; Q411-I416 WeakPolarHBondContact CG-O 3.48Å; E414-I416 HydrophobicContact CB-CD1 3.63Å; E414-I416 HydrophobicContact CB-CG1 4Å; E414-I416 HydrophobicContact CG-CD1 4.46Å; E414-I416 PolarHBondContact O-N 3.01Å; I416-Q420 HydrophobicContact CG2-CB 4.36Å; I416-Q421 HydrophobicContact CB-CG 4.34Å; I416-Q421 HydrophobicContact CG2-CG 3.6Å; I416-Q421 PolarHBondContact O-NE2 3.27Å; I416-L449 HydrophobicContact CD1-CD2 4Å; I416-L451 HydrophobicContact CD1-CD2 4.11Å; I416-L451 HydrophobicContact CG2-CD2 3.56Å
417P82.3Confident89.4Confident7 Ų746.8 Ų46.85%0.04528%0.278CS..  trans-60.2138.9178.6-27.237.6000113.9G415 D419 Q420 Q421G415-P417 WeakPolarHBondContact O-CD 3.45Å; P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 WeakPolarHBondContact CB-OD1 3.44Å; P417-D419 PolarHBondContact O-N 2.89Å; P417-Q420 HydrophobicContact CB-CG 4.35Å; P417-Q420 WeakPolarHBondContact O-CB 3.26Å; P417-Q420 PolarHBondContact O-N 3.12Å; P417-Q421 WeakPolarHBondContact O-CG 3.18Å; P417-Q421 PolarHBondContact O-N 2.89Å
418P87.3Confident89.3Confident22 Ų2253.4 Ų53.414%0.14331%0.307CS..G310 helixtrans-52.8-34.2-178.9-32.536.6000115.9K407 Q420 Q421 E474K407-P418 HydrophobicContact CB-CB 3.84Å; K407-P418 HydrophobicContact CB-CG 4.25Å; K407-P418 HydrophobicContact CD-CB 4.2Å; K407-P418 PolarHBondContact NZ-O 2.89Å; P418-Q420 VanDerWaalsContact C-N 3.28Å; P418-Q420 PolarHBondContact O-N 2.87Å; P418-Q421 PolarHBondContact O-N 2.82Å; P418-Q421 VanDerWaalsContact O-N 3.16Å; P418-E474 WeakPolarHBondContact CD-OE1 3.41Å
419D81.5Confident89.5Confident58 Ų5855.7 Ų55.731%0.3131%0.312SS..G310 helixtrans-67.8-27.8178.873.6-37.2000113P417 R452P417-D419 VanDerWaalsContact C-N 3.27Å; P417-D419 WeakPolarHBondContact CB-OD1 3.44Å; P417-D419 PolarHBondContact O-N 2.89Å; D419-R452 WeakPolarHBondContact O-CD 3.48Å; D419-R452 PolarHBondContact O-NH1 3.46Å; D419-R452 VanDerWaalsContact O-NH1 3.1Å
420Q86.2Confident89.6Confident32 Ų3254.1 Ų54.115%0.1531%0.305CS..G310 helixtrans-82.4-17.7174.1-61.6-175.56.800112.8I416 P417 P418 R452I416-Q420 HydrophobicContact CG2-CB 4.36Å; P417-Q420 HydrophobicContact CB-CG 4.35Å; P417-Q420 WeakPolarHBondContact O-CB 3.26Å; P417-Q420 PolarHBondContact O-N 3.12Å; P418-Q420 VanDerWaalsContact C-N 3.28Å; P418-Q420 PolarHBondContact O-N 2.87Å; Q420-R452 PolarHBondContact O-N 3.35Å
421Q91.3Very high89.7Confident0 Ų059.1 Ų59.10%033%0.329CS..EExtended strand (participates in β ladder)trans-84.1126.5-177.5-62.1-179.739.100111.7K407 I410 I416 P417 P418 L449K407-Q421 VanDerWaalsContact CA-OE1 3.22Å; K407-Q421 HydrophobicContact CD-CB 4.33Å; K407-Q421 WeakPolarHBondContact CE-O 3.46Å; K407-Q421 HydrophobicContact CG-CB 4.04Å; K407-Q421 PolarHBondContact NZ-O 3.23Å; K407-Q421 PolarHBondContact O-NE2 2.88Å; K407-Q421 PolarHBondContact O-OE1 3.49Å; I410-Q421 VanDerWaalsContact CB-OE1 3.28Å; I410-Q421 VanDerWaalsContact CD1-OE1 3.22Å; I416-Q421 HydrophobicContact CB-CG 4.34Å; I416-Q421 HydrophobicContact CG2-CG 3.6Å; I416-Q421 PolarHBondContact O-NE2 3.27Å; P417-Q421 WeakPolarHBondContact O-CG 3.18Å; P417-Q421 PolarHBondContact O-N 2.89Å; P418-Q421 PolarHBondContact O-N 2.82Å; P418-Q421 VanDerWaalsContact O-N 3.16Å; Q421-L449 HydrophobicContact CB-CD1 3.76Å; Q421-L449 HydrophobicContact CG-CD1 3.95Å
422R91.9Very high89.7Confident100 Ų10060.3 Ų60.338%0.37734%0.336SS..EExtended strand (participates in β ladder)trans-116.4106.8167.1-171-173.3-170.8-163.40.6109.2I424 Q429 V450R422-I424 HydrophobicContact CG-CG1 4.46Å; R422-Q429 HydrophobicContact CG-CG 4.08Å; R422-Q429 VanDerWaalsContact CZ-OE1 3.24Å; R422-V450 WeakPolarHBondContact CA-O 3.19Å; R422-V450 HydrophobicContact CB-CB 4.2Å; R422-V450 WeakPolarHBondContact CB-O 3.47Å; R422-V450 PolarHBondContact N-O 3.46Å; R422-V450 PolarHBondContact O-N 3.25Å
423L95.8Very high89.8Confident1 Ų157.5 Ų57.51%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-89.9135.3176.5-63.7177.4000110.8V385 I403 V406 K407 I410 L430 L447 H448 L449V385-L423 HydrophobicContact CG1-CD2 4.11Å; I403-L423 HydrophobicContact CG2-CD1 4.16Å; V406-L423 HydrophobicContact CB-CD1 4.26Å; V406-L423 HydrophobicContact CG1-CD1 3.74Å; K407-L423 HydrophobicContact CG-CD1 3.87Å; K407-L423 HydrophobicContact CG-CG 4.42Å; I410-L423 HydrophobicContact CD1-CD1 4.02Å; I410-L423 HydrophobicContact CD1-CD2 3.65Å; I410-L423 HydrophobicContact CD1-CG 4.36Å; L423-L430 HydrophobicContact CB-CB 4.27Å; L423-L430 HydrophobicContact CB-CD1 4.01Å; L423-L430 HydrophobicContact CB-CG 4.35Å; L423-L430 PolarHBondContact O-N 3.22Å; L423-L447 HydrophobicContact CD1-CD2 4.42Å; L423-H448 CarbonylContact C-O 3.59Å; L423-H448 WeakPolarHBondContact CA-O 3.48Å; L423-L449 HydrophobicContact CD2-CB 4.15Å; L423-L449 HydrophobicContact CD2-CD1 3.86Å
424I96.3Very high89.9Confident35 Ų3556.3 Ų56.318%0.17933%0.33CS..EExtended strand (participates in β ladder)trans-130.5132.3-177.6-57.6172.1000108.8R422 K428 L447 H448 V450R422-I424 HydrophobicContact CG-CG1 4.46Å; I424-K428 CarbonylContact C-O 3.45Å; I424-K428 VanDerWaalsContact CA-O 3.28Å; I424-K428 WeakPolarHBondContact CA-O 3.48Å; I424-K428 WeakPolarHBondContact CG2-O 3.47Å; I424-L447 WeakPolarHBondContact O-CA 3.34Å; I424-H448 HydrophobicContact CB-CB 4.32Å; I424-H448 PolarHBondContact N-O 2.91Å; I424-H448 PolarHBondContact O-N 2.87Å; I424-V450 HydrophobicContact CD1-CG2 3.77Å
425F96.8Very high90.1Very high42 Ų4254.7 Ų54.718%0.18433%0.325CS..EExtended strand (participates in β ladder)trans-137137174.2-177.6-112.6000109.8G427 K428 L430 I441 L447F425-G427 PolarHBondContact O-N 3.35Å; F425-G427 VanDerWaalsContact O-N 3.09Å; F425-K428 PolarHBondContact N-O 3.39Å; F425-K428 PolarHBondContact O-N 2.73Å; F425-K428 VanDerWaalsContact O-O 3.13Å; F425-L430 HydrophobicContact CB-CD1 4.1Å; F425-L430 HydrophobicContact CB-CD2 3.83Å; F425-L430 HydrophobicContact CB-CG 4.23Å; F425-I441 HydrophobicContact CB-CD1 4.39Å; F425-I441 HydrophobicContact CD1-CD1 4.12Å; F425-I441 HydrophobicContact CD1-CG1 3.61Å; F425-I441 HydrophobicContact CD2-CG1 4.36Å; F425-I441 HydrophobicContact CE1-CG1 3.64Å; F425-I441 HydrophobicContact CE2-CG1 4.4Å; F425-I441 HydrophobicContact CG-CD1 4.17Å; F425-I441 HydrophobicContact CG-CG1 3.98Å; F425-I441 HydrophobicContact CZ-CG1 4.05Å; F425-L447 HydrophobicContact CB-CG 4.29Å; F425-L447 HydrophobicContact CD2-CD1 3.99Å; F425-L447 HydrophobicContact CD2-CG 4.39Å
426A92Very high90.6Very high88 Ų8852 Ų5273%0.72730%0.297SS*.THydrogen-bonded Turntrans47.939.7-178.500000113.9K428A426-K428 PolarHBondContact O-N 2.81Å
427G90.1Very high91.1Very high77 Ų7754.1 Ų54.179%0.79431%0.314SS*.THydrogen-bonded Turntrans74.4-1.2-178.600000115.5F425F425-G427 PolarHBondContact O-N 3.35Å; F425-G427 VanDerWaalsContact O-N 3.09Å
428K92.6Very high91.6Very high147 Ų14758.4 Ų58.464%0.63934%0.336SS*.EExtended strand (participates in β ladder)trans-104.1138.9178-65.8-176.3179.2178.90110.9I424 F425 A426I424-K428 CarbonylContact C-O 3.45Å; I424-K428 VanDerWaalsContact CA-O 3.28Å; I424-K428 WeakPolarHBondContact CA-O 3.48Å; I424-K428 WeakPolarHBondContact CG2-O 3.47Å; F425-K428 PolarHBondContact N-O 3.39Å; F425-K428 PolarHBondContact O-N 2.73Å; F425-K428 VanDerWaalsContact O-O 3.13Å; A426-K428 PolarHBondContact O-N 2.81Å
429Q93.5Very high91.9Very high84 Ų8459.2 Ų59.239%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-71.4135.5168179.6179.8-31.300109.3R422R422-Q429 HydrophobicContact CG-CG 4.08Å; R422-Q429 VanDerWaalsContact CZ-OE1 3.24Å
430L95.3Very high92.5Very high4 Ų461.7 Ų61.72%0.02135%0.35CS..PPolyproline II helixtrans-83.2142.6177.6-56.2-174.2000110.6I403 L423 F425 Y439 I441 L447I403-L430 HydrophobicContact CB-CB 4.49Å; I403-L430 HydrophobicContact CD1-CB 3.93Å; I403-L430 HydrophobicContact CD1-CD1 3.6Å; I403-L430 HydrophobicContact CD1-CG 4.29Å; I403-L430 HydrophobicContact CG1-CB 3.88Å; I403-L430 HydrophobicContact CG1-CD1 4.48Å; I403-L430 HydrophobicContact CG2-CB 3.83Å; L423-L430 HydrophobicContact CB-CB 4.27Å; L423-L430 HydrophobicContact CB-CD1 4.01Å; L423-L430 HydrophobicContact CB-CG 4.35Å; L423-L430 PolarHBondContact O-N 3.22Å; F425-L430 HydrophobicContact CB-CD1 4.1Å; F425-L430 HydrophobicContact CB-CD2 3.83Å; F425-L430 HydrophobicContact CB-CG 4.23Å; L430-Y439 HydrophobicContact CB-CE2 4.2Å; L430-Y439 HydrophobicContact CD2-CD1 3.72Å; L430-Y439 HydrophobicContact CD2-CD2 3.69Å; L430-Y439 HydrophobicContact CD2-CE1 3.79Å; L430-Y439 HydrophobicContact CD2-CE2 3.73Å; L430-Y439 HydrophobicContact CD2-CG 3.66Å; L430-I441 HydrophobicContact CD1-CD1 3.96Å; L430-I441 HydrophobicContact CD2-CD1 4.49Å; L430-L447 HydrophobicContact CD1-CD2 3.51Å; L430-L447 HydrophobicContact CD1-CG 4.05Å
431E93Very high92.8Very high105 Ų10560.3 Ų60.349%0.49134%0.344SS..PPolyproline II helixtrans-101.5133.6-179.1-66.8169.6-169.800110.3I403 G433 R434 Y439I403-E431 VanDerWaalsContact CB-O 3.29Å; I403-E431 WeakPolarHBondContact CB-O 3.47Å; I403-E431 VanDerWaalsContact CG1-O 3.26Å; I403-E431 WeakPolarHBondContact CG1-O 3.1Å; E431-G433 VanDerWaalsContact C-N 3.32Å; E431-G433 PolarHBondContact O-N 3.25Å; E431-R434 HydrophobicContact CB-CG 4.23Å; E431-R434 PolarHBondContact O-N 3.06Å; E431-R434 VanDerWaalsContact O-N 3.09Å; E431-R434 IonicContact OE1-NH2 2.81Å; E431-R434 IonicContact OE2-CZ 2.82Å; E431-R434 VanDerWaalsContact OE2-CZ 3.29Å; E431-R434 IonicContact OE2-NE 2.99Å; E431-R434 PolarHBondContact OE2-NE 3.49Å; E431-R434 IonicContact OE2-NH2 2.66Å; E431-R434 PolarHBondContact OE2-NH2 3.3Å; E431-Y439 WeakPolarHBondContact CB-OH 3.4Å; E431-Y439 PolarHBondContact N-OH 2.87Å
432D89.9Confident92.9Very high68 Ų6865.2 Ų65.236%0.36437%0.367SS..THydrogen-bonded Turntrans-55.6-41.9-169.7-67.3-13.5000113.6I403 E404 K407 R434I403-D432 PolarHBondContact N-O 3.05Å; E404-D432 HydrophobicContact CB-CB 4.25Å; E404-D432 PolarHBondContact N-O 2.85Å; E404-D432 VanDerWaalsContact N-O 3.12Å; K407-D432 WeakPolarHBondContact CD-OD1 3.36Å; K407-D432 WeakPolarHBondContact CE-OD1 3.42Å; K407-D432 VanDerWaalsContact NZ-CG 3.32Å; K407-D432 IonicContact NZ-OD1 3.73Å; K407-D432 PolarHBondContact NZ-OD1 2.96Å; K407-D432 IonicContact NZ-OD2 2.69Å; K407-D432 PolarHBondContact NZ-OD2 3.4Å; D432-R434 VanDerWaalsContact C-N 3.32Å; D432-R434 PolarHBondContact O-N 3.34Å
433G85.9Confident92.8Very high72 Ų7265.8 Ų65.874%0.74237%0.372SS*.THydrogen-bonded Turntrans-80.81.8-178.100000116.1E431E431-G433 VanDerWaalsContact C-N 3.32Å; E431-G433 PolarHBondContact O-N 3.25Å
434R90.6Very high92.7Very high95 Ų9571.7 Ų71.736%0.35840%0.4SS..SBendtrans-97.9156.7175.3-65.8-159.8-160.6-157.3-0.4111.2T402 I403 E431 D432 D438 Y439T402-R434 CarbonylContact C-O 3.56Å; T402-R434 WeakPolarHBondContact CA-O 3.23Å; I403-R434 WeakPolarHBondContact CG1-O 3.29Å; I403-R434 PolarHBondContact N-O 2.84Å; E431-R434 HydrophobicContact CB-CG 4.23Å; E431-R434 PolarHBondContact O-N 3.06Å; E431-R434 VanDerWaalsContact O-N 3.09Å; E431-R434 IonicContact OE1-NH2 2.81Å; E431-R434 IonicContact OE2-CZ 2.82Å; E431-R434 VanDerWaalsContact OE2-CZ 3.29Å; E431-R434 IonicContact OE2-NE 2.99Å; E431-R434 PolarHBondContact OE2-NE 3.49Å; E431-R434 IonicContact OE2-NH2 2.66Å; E431-R434 PolarHBondContact OE2-NH2 3.3Å; D432-R434 VanDerWaalsContact C-N 3.32Å; D432-R434 PolarHBondContact O-N 3.34Å; R434-D438 HydrophobicContact CB-CB 4.27Å; R434-Y439 HydrophobicContact CB-CD2 4.28Å; R434-Y439 HydrophobicContact CB-CE2 3.57Å; R434-Y439 WeakPolarHBondContact CD-OH 3.36Å; R434-Y439 HydrophobicContact CG-CE2 4.28Å
435T92.7Very high92.7Very high30 Ų3071 Ų7118%0.18440%0.398CS..BIsolated β-bridgetrans-89.4164.2177.566.70000112.5S400 D401 T402 S437 D438 Y439S400-T435 WeakPolarHBondContact O-CG2 3.31Å; D401-T435 CarbonylContact O-C 3.59Å; D401-T435 WeakPolarHBondContact O-CA 3.37Å; T402-T435 HydrophobicContact CG2-CG2 4.47Å; T435-S437 PolarHBondContact O-N 3.23Å; T435-D438 PolarHBondContact N-OD2 2.9Å; T435-D438 PolarHBondContact O-N 2.82Å; T435-D438 PolarHBondContact OG1-N 2.72Å; T435-D438 VanDerWaalsContact OG1-N 3.12Å; T435-D438 PolarHBondContact OG1-OD2 3.44Å; T435-Y439 WeakPolarHBondContact O-CD2 3.45Å
436L94.6Very high92.7Very high0 Ų071.1 Ų71.10%040%0.402CS..THydrogen-bonded Turntrans-58-39.3169.4-71.3-175.6000111.8I383 V397 P399 D401 I403 V406 D438 Y439 N440 I441I383-L436 HydrophobicContact CD1-CD1 4.23Å; I383-L436 HydrophobicContact CD1-CD2 4.36Å; V397-L436 HydrophobicContact CB-CD1 3.54Å; V397-L436 HydrophobicContact CG1-CD1 4.08Å; V397-L436 HydrophobicContact CG2-CD1 3.44Å; V397-L436 VanDerWaalsContact CG2-CD1 3.44Å; P399-L436 PolarHBondContact O-N 3.25Å; D401-L436 HydrophobicContact CB-CD1 4.31Å; D401-L436 HydrophobicContact CB-CG 4.49Å; D401-L436 PolarHBondContact O-N 2.8Å; I403-L436 HydrophobicContact CD1-CD2 3.93Å; V406-L436 HydrophobicContact CG2-CD1 4.1Å; V406-L436 HydrophobicContact CG2-CD2 3.95Å; V406-L436 HydrophobicContact CG2-CG 4.09Å; L436-D438 VanDerWaalsContact C-N 3.34Å; L436-D438 PolarHBondContact O-N 3.16Å; L436-Y439 PolarHBondContact O-N 3.46Å; L436-N440 PolarHBondContact O-N 3.46Å; L436-I441 HydrophobicContact CB-CB 4.22Å; L436-I441 HydrophobicContact CD2-CB 4.11Å; L436-I441 HydrophobicContact CD2-CD1 3.54Å; L436-I441 HydrophobicContact CD2-CG1 4.42Å; L436-I441 HydrophobicContact CD2-CG2 4.03Å; L436-I441 WeakPolarHBondContact O-CB 3.35Å; L436-I441 PolarHBondContact O-N 3Å
437S93.4Very high93Very high69 Ų6967 Ų6748%0.48337%0.368SS..G310 helixtrans-63.5-36.7176.9-173.60000112.5P399 T435 Y439 N440P399-S437 VanDerWaalsContact O-CB 3.24Å; P399-S437 WeakPolarHBondContact O-CB 3.43Å; P399-S437 PolarHBondContact O-N 3.11Å; T435-S437 PolarHBondContact O-N 3.23Å; S437-Y439 PolarHBondContact O-N 3.2Å; S437-N440 WeakPolarHBondContact O-CA 3.29Å; S437-N440 PolarHBondContact O-N 3.5Å
438D92.6Very high93.3Very high97 Ų9768 Ų6852%0.51935%0.351SS..G310 helixtrans-61.8-29.7177.6-66.2-42.5000112.6R434 T435 L436R434-D438 HydrophobicContact CB-CB 4.27Å; T435-D438 PolarHBondContact N-OD2 2.9Å; T435-D438 PolarHBondContact O-N 2.82Å; T435-D438 PolarHBondContact OG1-N 2.72Å; T435-D438 VanDerWaalsContact OG1-N 3.12Å; T435-D438 PolarHBondContact OG1-OD2 3.44Å; L436-D438 VanDerWaalsContact C-N 3.34Å; L436-D438 PolarHBondContact O-N 3.16Å
439Y93.7Very high93.4Very high39 Ų3961.1 Ų61.115%0.15332%0.322CS..G310 helixtrans-92.74.1174.5-69.8-70.5000113.5I403 L430 E431 R434 T435 L436 S437 I441I403-Y439 HydrophobicContact CD1-CD2 4.26Å; I403-Y439 HydrophobicContact CD1-CE2 4.36Å; I403-Y439 HydrophobicContact CG1-CD2 4.38Å; I403-Y439 HydrophobicContact CG1-CE2 4.02Å; L430-Y439 HydrophobicContact CB-CE2 4.2Å; L430-Y439 HydrophobicContact CD2-CD1 3.72Å; L430-Y439 HydrophobicContact CD2-CD2 3.69Å; L430-Y439 HydrophobicContact CD2-CE1 3.79Å; L430-Y439 HydrophobicContact CD2-CE2 3.73Å; L430-Y439 HydrophobicContact CD2-CG 3.66Å; E431-Y439 WeakPolarHBondContact CB-OH 3.4Å; E431-Y439 PolarHBondContact N-OH 2.87Å; R434-Y439 HydrophobicContact CB-CD2 4.28Å; R434-Y439 HydrophobicContact CB-CE2 3.57Å; R434-Y439 WeakPolarHBondContact CD-OH 3.36Å; R434-Y439 HydrophobicContact CG-CE2 4.28Å; T435-Y439 WeakPolarHBondContact O-CD2 3.45Å; L436-Y439 PolarHBondContact O-N 3.46Å; S437-Y439 PolarHBondContact O-N 3.2Å; Y439-I441 HydrophobicContact CG-CD1 4.49Å; Y439-I441 PolarHBondContact O-N 3.3Å
440N93.5Very high93.3Very high111 Ų11158.8 Ų58.859%0.59431%0.313SS*.THydrogen-bonded Turntrans52.537.3-174.1-165.932.4000112L436 S437 Q442L436-N440 PolarHBondContact O-N 3.46Å; S437-N440 WeakPolarHBondContact O-CA 3.29Å; S437-N440 PolarHBondContact O-N 3.5Å; N440-Q442 PolarHBondContact O-N 3.36Å; N440-Q442 PolarHBondContact OD1-NE2 3.12Å
441I93.7Very high92.8Very high2 Ų262.6 Ų62.61%0.0133%0.333CS..PPolyproline II helixtrans-76.1118.4175.3-66.7165.9000106.8M381 I383 F425 L430 L436 Y439 L447M381-I441 WeakPolarHBondContact CE-O 3.49Å; I383-I441 HydrophobicContact CG2-CG2 3.92Å; F425-I441 HydrophobicContact CB-CD1 4.39Å; F425-I441 HydrophobicContact CD1-CD1 4.12Å; F425-I441 HydrophobicContact CD1-CG1 3.61Å; F425-I441 HydrophobicContact CD2-CG1 4.36Å; F425-I441 HydrophobicContact CE1-CG1 3.64Å; F425-I441 HydrophobicContact CE2-CG1 4.4Å; F425-I441 HydrophobicContact CG-CD1 4.17Å; F425-I441 HydrophobicContact CG-CG1 3.98Å; F425-I441 HydrophobicContact CZ-CG1 4.05Å; L430-I441 HydrophobicContact CD1-CD1 3.96Å; L430-I441 HydrophobicContact CD2-CD1 4.49Å; L436-I441 HydrophobicContact CB-CB 4.22Å; L436-I441 HydrophobicContact CD2-CB 4.11Å; L436-I441 HydrophobicContact CD2-CD1 3.54Å; L436-I441 HydrophobicContact CD2-CG1 4.42Å; L436-I441 HydrophobicContact CD2-CG2 4.03Å; L436-I441 WeakPolarHBondContact O-CB 3.35Å; L436-I441 PolarHBondContact O-N 3Å; Y439-I441 HydrophobicContact CG-CD1 4.49Å; Y439-I441 PolarHBondContact O-N 3.3Å; I441-L447 HydrophobicContact CD1-CD1 4.16Å; I441-L447 HydrophobicContact CD1-CD2 4.41Å; I441-L447 HydrophobicContact CG2-CD1 4.01Å
442Q92.5Very high92.1Very high104 Ų10463.1 Ų63.149%0.48633%0.33SS..PPolyproline II helixtrans-103.6169.1-176.4-63.3-59.9-3300111.1N440 E444 S445N440-Q442 PolarHBondContact O-N 3.36Å; N440-Q442 PolarHBondContact OD1-NE2 3.12Å; Q442-E444 PolarHBondContact O-N 2.97Å; Q442-S445 PolarHBondContact N-OG 2.86Å; Q442-S445 WeakPolarHBondContact O-CB 3.27Å; Q442-S445 PolarHBondContact O-N 3.05Å; Q442-S445 PolarHBondContact O-OG 3.23Å
443K91.4Very high90.8Very high111 Ų11167.7 Ų67.748%0.48335%0.354SS..THydrogen-bonded Turntrans-48.5138.8170.6-179.6169.7178.9166.50110.5M381 S445M381-K443 HydrophobicContact CG-CB 4.09Å; K443-S445 PolarHBondContact O-N 3.35Å
444E93.2Very high89.5Confident126 Ų12675.7 Ų75.759%0.58936%0.362SS*.THydrogen-bonded Turntrans65.18.7-177.3-66.6167-159.400115.5Q382 F384 Q442Q382-E444 WeakPolarHBondContact O-CA 3.46Å; Q382-E444 PolarHBondContact O-N 3.33Å; F384-E444 WeakPolarHBondContact CD2-O 3.45Å; F384-E444 HydrophobicContact CE2-CB 3.87Å; F384-E444 HydrophobicContact CE2-CG 3.97Å; F384-E444 HydrophobicContact CZ-CG 4.41Å; Q442-E444 PolarHBondContact O-N 2.97Å
445S96.7Very high88Confident21 Ų2173.7 Ų73.715%0.14737%0.371CS..  trans-61.4147.1171.7-66.30000111.5I383 F384 Q442 K443I383-S445 WeakPolarHBondContact CA-O 3.34Å; F384-S445 PolarHBondContact N-O 3.03Å; Q442-S445 PolarHBondContact N-OG 2.86Å; Q442-S445 WeakPolarHBondContact O-CB 3.27Å; Q442-S445 PolarHBondContact O-N 3.05Å; Q442-S445 PolarHBondContact O-OG 3.23Å; K443-S445 PolarHBondContact O-N 3.35Å
446T96.9Very high86.9Confident44 Ų4472.5 Ų72.527%0.2736%0.364SS..EExtended strand (participates in β ladder)trans-112.1118.7177.8-58.20000111.5F384 K386F384-T446 HydrophobicContact CB-CG2 4.28Å; F384-T446 CarbonylContact O-C 3.6Å; F384-T446 VanDerWaalsContact O-CA 3.27Å; F384-T446 WeakPolarHBondContact O-CA 3.13Å; K386-T446 HydrophobicContact CB-CG2 4.23Å; K386-T446 HydrophobicContact CD-CG2 3.77Å; K386-T446 HydrophobicContact CG-CG2 3.69Å
447L97.3Very high86.5Confident0 Ų073.6 Ų73.60%037%0.37CS..EExtended strand (participates in β ladder)trans-93.3157.8170.3-76.561.3000109.5I383 F384 V385 K386 L423 I424 F425 L430 I441I383-L447 HydrophobicContact CD1-CD1 4.16Å; I383-L447 HydrophobicContact CD1-CD2 4.18Å; F384-L447 PolarHBondContact O-N 3.11Å; V385-L447 CarbonylContact C-O 3.45Å; V385-L447 WeakPolarHBondContact CA-O 3.48Å; V385-L447 HydrophobicContact CG2-CB 4.31Å; K386-L447 PolarHBondContact N-O 3.47Å; L423-L447 HydrophobicContact CD1-CD2 4.42Å; I424-L447 WeakPolarHBondContact O-CA 3.34Å; F425-L447 HydrophobicContact CB-CG 4.29Å; F425-L447 HydrophobicContact CD2-CD1 3.99Å; F425-L447 HydrophobicContact CD2-CG 4.39Å; L430-L447 HydrophobicContact CD1-CD2 3.51Å; L430-L447 HydrophobicContact CD1-CG 4.05Å; I441-L447 HydrophobicContact CD1-CD1 4.16Å; I441-L447 HydrophobicContact CD1-CD2 4.41Å; I441-L447 HydrophobicContact CG2-CD1 4.01Å
448H96.8Very high86.2Confident98 Ų9873.6 Ų73.645%0.45436%0.362SS..EExtended strand (participates in β ladder)trans-111.4128.8173.5-64.975000109.8K386 L423 I424K386-H448 CarbonylContact O-C 3.44Å; K386-H448 WeakPolarHBondContact O-CA 3.41Å; L423-H448 CarbonylContact C-O 3.59Å; L423-H448 WeakPolarHBondContact CA-O 3.48Å; I424-H448 HydrophobicContact CB-CB 4.32Å; I424-H448 PolarHBondContact N-O 2.91Å; I424-H448 PolarHBondContact O-N 2.87Å
449L94.7Very high86.2Confident3 Ų369 Ų692%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-99.1119.2175.1176.162.8000110.2V385 K386 T387 I410 I416 Q421 L423 L451V385-L449 HydrophobicContact CG1-CB 3.53Å; V385-L449 HydrophobicContact CG1-CD2 4.44Å; K386-L449 PolarHBondContact O-N 2.96Å; T387-L449 HydrophobicContact CG2-CD2 4.36Å; I410-L449 HydrophobicContact CG2-CD2 3.97Å; I416-L449 HydrophobicContact CD1-CD2 4Å; Q421-L449 HydrophobicContact CB-CD1 3.76Å; Q421-L449 HydrophobicContact CG-CD1 3.95Å; L423-L449 HydrophobicContact CD2-CB 4.15Å; L423-L449 HydrophobicContact CD2-CD1 3.86Å; L449-L451 HydrophobicContact CD1-CD2 4.29Å; L449-L451 HydrophobicContact CD2-CD2 4.21Å; L449-L451 HydrophobicContact CG-CD2 4.16Å
450V90.3Very high86.3Confident35 Ų3569.6 Ų69.621%0.21234%0.341CS..EExtended strand (participates in β ladder)trans-111.7125.7171.4176.70000108.2L388 R422 I424L388-V450 HydrophobicContact CD1-CG1 4.21Å; L388-V450 HydrophobicContact CD1-CG2 4.43Å; L388-V450 HydrophobicContact CD2-CG2 4.19Å; L388-V450 HydrophobicContact CG-CG2 4.36Å; R422-V450 WeakPolarHBondContact CA-O 3.19Å; R422-V450 HydrophobicContact CB-CB 4.2Å; R422-V450 WeakPolarHBondContact CB-O 3.47Å; R422-V450 PolarHBondContact N-O 3.46Å; R422-V450 PolarHBondContact O-N 3.25Å; I424-V450 HydrophobicContact CD1-CG2 3.77Å
451L85.7Confident86.4Confident84 Ų8464.3 Ų64.344%0.4431%0.313SS..EExtended strand (participates in β ladder)trans-84134.2177.8-59.1-178.1000110.8I416 L449I416-L451 HydrophobicContact CD1-CD2 4.11Å; I416-L451 HydrophobicContact CG2-CD2 3.56Å; L449-L451 HydrophobicContact CD1-CD2 4.29Å; L449-L451 HydrophobicContact CD2-CD2 4.21Å; L449-L451 HydrophobicContact CG-CD2 4.16Å
452R79Confident86.5Confident116 Ų11668.5 Ų68.544%0.43833%0.331SS..  trans-80.1117.9170.2-65.8177.5174.1168.7-4.7108.8D419 Q420 R454D419-R452 WeakPolarHBondContact O-CD 3.48Å; D419-R452 PolarHBondContact O-NH1 3.46Å; D419-R452 VanDerWaalsContact O-NH1 3.1Å; Q420-R452 PolarHBondContact O-N 3.35Å; R452-R454 VanDerWaalsContact C-N 3.34Å; R452-R454 PolarHBondContact O-N 3.32Å
453L62.8Low86.3Confident165 Ų16564.7 Ų64.786%0.86432%0.315SS*.THydrogen-bonded Turntrans-70.5-17.6-170.4-76.1165.1000115.6
454R56.8Low85.9Confident240 Ų24066 Ų6691%0.90633%0.326SS*.THydrogen-bonded Turntrans-152.231.1-163.9-63.7-170.8-173.6177.12116.3R452R452-R454 VanDerWaalsContact C-N 3.34Å; R452-R454 PolarHBondContact O-N 3.32Å
455G60.2Low85.6Confident52 Ų5266 Ų6654%0.53634%0.335SS..  trans-106.3-25.1-173.100000116.6
456G69.7Low85Confident5 Ų567.8 Ų67.85%0.05236%0.356CS..SBendtrans-69.1153.9-167.200000114.3Q458 E472G456-Q458 PolarHBondContact O-N 2.91Å; G456-E472 WeakPolarHBondContact CA-OE2 3.2Å
457M84.9Confident84.8Confident24 Ų2470.6 Ų70.612%0.11837%0.365CS..EExtended strand (participates in β ladder)trans-71.6115.5166.7164169162.800108.6I459 V473 P475 L512 I517 Q518 K519M457-I459 HydrophobicContact CE-CG2 3.95Å; M457-V473 WeakPolarHBondContact CB-O 3.49Å; M457-V473 HydrophobicContact CE-CG2 4.11Å; M457-V473 HydrophobicContact CG-CG2 4.03Å; M457-V473 WeakPolarHBondContact O-CG2 3.34Å; M457-V473 PolarHBondContact O-N 3.15Å; M457-P475 HydrophobicContact SD-CG 3.92Å; M457-L512 HydrophobicContact CE-CD1 4.4Å; M457-I517 VanDerWaalsContact CE-O 3.3Å; M457-I517 WeakPolarHBondContact CE-O 3.19Å; M457-Q518 VanDerWaalsContact CE-C 3.44Å; M457-K519 HydrophobicContact CG-CB 4.1Å
458Q88.2Confident84.6Confident68 Ų6873.8 Ų73.832%0.31839%0.385SS..EExtended strand (participates in β ladder)trans-96.4139.4174.4-71.1176.918.600110.2G456 T470 L471 E472 E520G456-Q458 PolarHBondContact O-N 2.91Å; Q458-T470 HydrophobicContact CB-CG2 4.12Å; Q458-T470 HydrophobicContact CG-CG2 4.11Å; Q458-L471 CarbonylContact C-O 3.6Å; Q458-L471 VanDerWaalsContact CA-O 3.29Å; Q458-L471 WeakPolarHBondContact CA-O 3.32Å; Q458-E472 HydrophobicContact CG-CG 4.49Å; Q458-E472 WeakPolarHBondContact CG-OE1 3.26Å; Q458-E472 WeakPolarHBondContact CG-OE2 3.41Å; Q458-E472 PolarHBondContact NE2-OE1 3.45Å; Q458-E520 WeakPolarHBondContact O-CA 3.28Å; Q458-E520 PolarHBondContact O-N 2.97Å
459I93Very high84.3Confident0 Ų069.5 Ų69.50%037%0.365CS..EExtended strand (participates in β ladder)trans-120.4162.6163.564.2170.8000109.4M457 L471 V473 V482 L512 I517 S521 L523M457-I459 HydrophobicContact CE-CG2 3.95Å; I459-L471 HydrophobicContact CG1-CB 4.01Å; I459-L471 PolarHBondContact N-O 3.46Å; I459-L471 PolarHBondContact O-N 3.23Å; I459-V473 HydrophobicContact CB-CG2 4.21Å; I459-V473 HydrophobicContact CD1-CG1 3.84Å; I459-V473 HydrophobicContact CD1-CG2 4.03Å; I459-V473 HydrophobicContact CG1-CB 4.49Å; I459-V473 HydrophobicContact CG1-CG1 3.86Å; I459-V473 HydrophobicContact CG1-CG2 3.75Å; I459-V473 HydrophobicContact CG2-CG2 3.64Å; I459-V482 HydrophobicContact CD1-CG1 4.26Å; I459-L512 HydrophobicContact CD1-CD1 4.2Å; I459-L512 HydrophobicContact CD1-CD2 4.35Å; I459-I517 HydrophobicContact CG2-CG2 3.9Å; I459-S521 WeakPolarHBondContact CA-O 3.44Å; I459-S521 WeakPolarHBondContact CB-O 3.41Å; I459-L523 HydrophobicContact CD1-CD1 4.07Å; I459-L523 HydrophobicContact CD1-CD2 4.21Å
460F95.8Very high84.2Confident52 Ų5271.9 Ų71.923%0.22838%0.38CS..EExtended strand (participates in β ladder)trans-112.5139.1177.6-55.7-70.4000110T468 I469 T470 E520 S521 T522 L523F460-T468 HydrophobicContact CB-CG2 3.83Å; F460-T468 HydrophobicContact CD1-CG2 4.05Å; F460-T468 HydrophobicContact CG-CG2 4.26Å; F460-I469 CarbonylContact C-O 3.48Å; F460-I469 WeakPolarHBondContact CA-O 3.3Å; F460-T470 HydrophobicContact CD1-CG2 4.18Å; F460-T470 HydrophobicContact CE1-CG2 3.9Å; F460-E520 WeakPolarHBondContact CD2-O 3.32Å; F460-E520 HydrophobicContact CE2-CB 3.87Å; F460-E520 HydrophobicContact CE2-CG 3.95Å; F460-E520 HydrophobicContact CZ-CG 4.42Å; F460-S521 PolarHBondContact N-O 2.97Å; F460-T522 HydrophobicContact CB-CG2 4.31Å; F460-T522 CarbonylContact O-C 3.6Å; F460-T522 VanDerWaalsContact O-CA 3.27Å; F460-T522 WeakPolarHBondContact O-CA 3.25Å; F460-L523 PolarHBondContact O-N 3.34Å
461V95.3Very high84.1Confident0 Ų070.2 Ų70.20%037%0.37CS..EExtended strand (participates in β ladder)trans-119.4113.2173.9-177.50000108.3I469 L471 I486 L499 L523 L525V461-I469 HydrophobicContact CB-CB 4.31Å; V461-I469 PolarHBondContact N-O 2.81Å; V461-I469 PolarHBondContact O-N 3.12Å; V461-L471 HydrophobicContact CG2-CD1 3.48Å; V461-L471 VanDerWaalsContact CG2-CD1 3.48Å; V461-L471 HydrophobicContact CG2-CG 4.11Å; V461-I486 HydrophobicContact CG1-CD1 4.07Å; V461-I486 HydrophobicContact CG2-CD1 4.18Å; V461-L499 HydrophobicContact CG1-CD2 4.08Å; V461-L523 CarbonylContact C-O 3.57Å; V461-L523 WeakPolarHBondContact CA-O 3.48Å; V461-L523 HydrophobicContact CG2-CB 4.31Å; V461-L525 HydrophobicContact CG1-CB 3.56Å
462K95Very high84.1Confident91 Ų9168.9 Ų68.940%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-89.5125.3176.2-76.7-174.1179-177.50110.5K467 T468 T522 L523 H524 L525K462-K467 WeakPolarHBondContact CA-O 3.45Å; K462-T468 HydrophobicContact CG-CG2 4.41Å; K462-T522 HydrophobicContact CB-CG2 4.32Å; K462-T522 HydrophobicContact CD-CG2 3.77Å; K462-T522 HydrophobicContact CG-CG2 3.71Å; K462-L523 PolarHBondContact N-O 3.18Å; K462-H524 WeakPolarHBondContact O-CA 3.1Å; K462-L525 PolarHBondContact O-N 3.49Å
463T89.8Confident84.5Confident24 Ų2463.5 Ų63.515%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-80.6163.3171.570.30000110.7T465 G466 K467 I469 L525T463-T465 PolarHBondContact O-N 2.81Å; T463-T465 PolarHBondContact OG1-N 2.88Å; T463-T465 PolarHBondContact OG1-OG1 3.07Å; T463-G466 PolarHBondContact O-N 2.93Å; T463-K467 HydrophobicContact CG2-CB 4.26Å; T463-K467 PolarHBondContact N-O 3.04Å; T463-K467 WeakPolarHBondContact OG1-CB 3.47Å; T463-K467 PolarHBondContact OG1-N 3.09Å; T463-K467 VanDerWaalsContact OG1-N 3.14Å; T463-K467 PolarHBondContact OG1-O 3.1Å; T463-I469 HydrophobicContact CG2-CD1 3.77Å; T463-I469 HydrophobicContact CG2-CG1 4.49Å; T463-L525 HydrophobicContact CG2-CD2 4.45Å
464L82.9Confident85.6Confident137 Ų13757.3 Ų57.372%0.71731%0.308SS*.THydrogen-bonded Turntrans-60.7-22.7171.6-69175.6000113.7G466 V526L464-G466 PolarHBondContact O-N 2.9Å; L464-V526 HydrophobicContact CD1-CG1 4.32Å; L464-V526 HydrophobicContact CD2-CG2 4.32Å
465T85.2Confident87Confident128 Ų12849.1 Ų49.179%0.78529%0.286SS*.THydrogen-bonded Turntrans-80.4-2.2175.4590000113.1T463 K467T463-T465 PolarHBondContact O-N 2.81Å; T463-T465 PolarHBondContact OG1-N 2.88Å; T463-T465 PolarHBondContact OG1-OG1 3.07Å; T465-K467 VanDerWaalsContact C-N 3.34Å
466G84.6Confident88.2Confident57 Ų5750.1 Ų50.159%0.58828%0.284SS*.SBendtrans85.4-0.6-177.900000114.6T463 L464T463-G466 PolarHBondContact O-N 2.93Å; L464-G466 PolarHBondContact O-N 2.9Å
467K92Very high89.1Confident103 Ų10350 Ų5045%0.44828%0.283SS..  trans-67.5134.9173.6-174.5-179173.3-171.20109.2K462 T463 T465 E490K462-K467 WeakPolarHBondContact CA-O 3.45Å; T463-K467 HydrophobicContact CG2-CB 4.26Å; T463-K467 PolarHBondContact N-O 3.04Å; T463-K467 WeakPolarHBondContact OG1-CB 3.47Å; T463-K467 PolarHBondContact OG1-N 3.09Å; T463-K467 VanDerWaalsContact OG1-N 3.14Å; T463-K467 PolarHBondContact OG1-O 3.1Å; T465-K467 VanDerWaalsContact C-N 3.34Å; K467-E490 WeakPolarHBondContact CE-OE1 3.25Å; K467-E490 IonicContact NZ-OE1 2.9Å; K467-E490 PolarHBondContact NZ-OE1 3.13Å; K467-E490 IonicContact NZ-OE2 3.23Å; K467-E490 PolarHBondContact NZ-OE2 3.07Å
468T93.1Very high89.4Confident68 Ų6850.6 Ų50.642%0.41729%0.287SS..EExtended strand (participates in β ladder)trans-105.7124.5174.2-570000109.1F460 K462F460-T468 HydrophobicContact CB-CG2 3.83Å; F460-T468 HydrophobicContact CD1-CG2 4.05Å; F460-T468 HydrophobicContact CG-CG2 4.26Å; K462-T468 HydrophobicContact CG-CG2 4.41Å
469I91.5Very high89.7Confident7 Ų747.3 Ų47.34%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-104.5123.7177.4-55.1152.2000107.2F460 V461 T463 L471 K489 E490F460-I469 CarbonylContact C-O 3.48Å; F460-I469 WeakPolarHBondContact CA-O 3.3Å; V461-I469 HydrophobicContact CB-CB 4.31Å; V461-I469 PolarHBondContact N-O 2.81Å; V461-I469 PolarHBondContact O-N 3.12Å; T463-I469 HydrophobicContact CG2-CD1 3.77Å; T463-I469 HydrophobicContact CG2-CG1 4.49Å; I469-L471 HydrophobicContact CG2-CD2 3.83Å; I469-L471 HydrophobicContact CG2-CG 4.33Å; I469-K489 HydrophobicContact CG2-CD 4.1Å; I469-E490 HydrophobicContact CD1-CG 3.53Å; I469-E490 HydrophobicContact CG1-CG 4.01Å
470T91.5Very high89.7Confident53 Ų5353 Ų5333%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-87.3127172.7-50.90000109.2Q458 F460 K489Q458-T470 HydrophobicContact CB-CG2 4.12Å; Q458-T470 HydrophobicContact CG-CG2 4.11Å; F460-T470 HydrophobicContact CD1-CG2 4.18Å; F460-T470 HydrophobicContact CE1-CG2 3.9Å; T470-K489 PolarHBondContact O-NZ 3.23Å
471L89.2Confident89.4Confident1 Ų153.7 Ų53.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-117134.3175.4-58.8178.9000109.9Q458 I459 V461 I469 V473 V482 K485 I486 K489Q458-L471 CarbonylContact C-O 3.6Å; Q458-L471 VanDerWaalsContact CA-O 3.29Å; Q458-L471 WeakPolarHBondContact CA-O 3.32Å; I459-L471 HydrophobicContact CG1-CB 4.01Å; I459-L471 PolarHBondContact N-O 3.46Å; I459-L471 PolarHBondContact O-N 3.23Å; V461-L471 HydrophobicContact CG2-CD1 3.48Å; V461-L471 VanDerWaalsContact CG2-CD1 3.48Å; V461-L471 HydrophobicContact CG2-CG 4.11Å; I469-L471 HydrophobicContact CG2-CD2 3.83Å; I469-L471 HydrophobicContact CG2-CG 4.33Å; L471-V473 HydrophobicContact CB-CG1 4Å; L471-V482 HydrophobicContact CD1-CG1 3.8Å; L471-K485 HydrophobicContact CD2-CB 4.22Å; L471-I486 HydrophobicContact CD1-CD1 4.12Å; L471-I486 HydrophobicContact CD1-CG1 3.58Å; L471-I486 HydrophobicContact CD2-CG1 4.36Å; L471-K489 HydrophobicContact CD2-CD 3.95Å
472E85.9Confident89.3Confident55 Ų5553.7 Ų53.726%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-84125.6166-64.6-67.8166.100108.2G456 Q458 K485G456-E472 WeakPolarHBondContact CA-OE2 3.2Å; Q458-E472 HydrophobicContact CG-CG 4.49Å; Q458-E472 WeakPolarHBondContact CG-OE1 3.26Å; Q458-E472 WeakPolarHBondContact CG-OE2 3.41Å; Q458-E472 PolarHBondContact NE2-OE1 3.45Å; E472-K485 WeakPolarHBondContact O-CD 3.46Å; E472-K485 PolarHBondContact O-NZ 3.49Å
473V87.7Confident89.3Confident3 Ų349.8 Ų49.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-143161.4-173.1-620000111.1M457 I459 L471 D477 V482 K485 L512M457-V473 WeakPolarHBondContact CB-O 3.49Å; M457-V473 HydrophobicContact CE-CG2 4.11Å; M457-V473 HydrophobicContact CG-CG2 4.03Å; M457-V473 WeakPolarHBondContact O-CG2 3.34Å; M457-V473 PolarHBondContact O-N 3.15Å; I459-V473 HydrophobicContact CB-CG2 4.21Å; I459-V473 HydrophobicContact CD1-CG1 3.84Å; I459-V473 HydrophobicContact CD1-CG2 4.03Å; I459-V473 HydrophobicContact CG1-CB 4.49Å; I459-V473 HydrophobicContact CG1-CG1 3.86Å; I459-V473 HydrophobicContact CG1-CG2 3.75Å; I459-V473 HydrophobicContact CG2-CG2 3.64Å; L471-V473 HydrophobicContact CB-CG1 4Å; V473-D477 VanDerWaalsContact CA-OD2 3.26Å; V473-D477 WeakPolarHBondContact CA-OD2 3.14Å; V473-V482 HydrophobicContact CG1-CG2 4.32Å; V473-K485 HydrophobicContact CG1-CD 4.17Å; V473-L512 HydrophobicContact CB-CD1 3.52Å; V473-L512 HydrophobicContact CG1-CD1 4.07Å; V473-L512 HydrophobicContact CG2-CD1 3.38Å
474E84.8Confident89.3Confident36 Ų3650.4 Ų50.417%0.16830%0.295CS..  trans-110.7152.9169.4-64.1-175.1171.500110.6P418 S476 D477P418-E474 WeakPolarHBondContact CD-OE1 3.41Å; E474-S476 WeakPolarHBondContact CB-OG 3.47Å; E474-S476 PolarHBondContact O-N 3.02Å; E474-S476 VanDerWaalsContact O-N 3.12Å; E474-S476 PolarHBondContact OE2-OG 2.65Å; E474-D477 PolarHBondContact N-OD2 2.84Å; E474-D477 VanDerWaalsContact O-CB 3.3Å; E474-D477 WeakPolarHBondContact O-CB 3.47Å; E474-D477 PolarHBondContact O-N 3.44Å
475P86.8Confident89.7Confident68 Ų6845.7 Ų45.744%0.44227%0.269SS..THydrogen-bonded Turntrans-56.1-29.1175.2-25.434.2000113.7M457 L512 S513M457-P475 HydrophobicContact SD-CG 3.92Å; P475-L512 PolarHBondContact O-N 3.12Å; P475-S513 VanDerWaalsContact O-CB 3.27Å; P475-S513 WeakPolarHBondContact O-CB 3.22Å; P475-S513 PolarHBondContact O-N 3.25Å; P475-S513 PolarHBondContact O-OG 2.81Å
476S85.4Confident90Very high72 Ų7239.6 Ų39.650%0.50323%0.232SC..THydrogen-bonded Turntrans-76.8-14.8175.441.80000114.1E474 T478 T511E474-S476 WeakPolarHBondContact CB-OG 3.47Å; E474-S476 PolarHBondContact O-N 3.02Å; E474-S476 VanDerWaalsContact O-N 3.12Å; E474-S476 PolarHBondContact OE2-OG 2.65Å; S476-T478 PolarHBondContact O-N 2.98Å; S476-T511 VanDerWaalsContact O-CG2 3.31Å; S476-T511 WeakPolarHBondContact O-CG2 3.27Å
477D88.6Confident90.3Very high4 Ų440.5 Ų40.52%0.02122%0.221CC..  trans-59.7130.1179.9-88.3-32.6000110V473 E474 N481 V482 K485 T511 L512V473-D477 VanDerWaalsContact CA-OD2 3.26Å; V473-D477 WeakPolarHBondContact CA-OD2 3.14Å; E474-D477 PolarHBondContact N-OD2 2.84Å; E474-D477 VanDerWaalsContact O-CB 3.3Å; E474-D477 WeakPolarHBondContact O-CB 3.47Å; E474-D477 PolarHBondContact O-N 3.44Å; D477-N481 HydrophobicContact CB-CB 4.25Å; D477-N481 PolarHBondContact OD1-ND2 2.9Å; D477-V482 HydrophobicContact CB-CG2 4.49Å; D477-K485 VanDerWaalsContact OD2-CE 3.23Å; D477-K485 WeakPolarHBondContact OD2-CE 3.31Å; D477-K485 IonicContact OD2-NZ 3.07Å; D477-K485 PolarHBondContact OD2-NZ 2.82Å; D477-T511 CarbonylContact O-C 3.46Å; D477-T511 WeakPolarHBondContact O-CA 3.38Å; D477-L512 HydrophobicContact CB-CD1 4.32Å; D477-L512 HydrophobicContact CB-CG 4.49Å; D477-L512 PolarHBondContact O-N 3.37Å
478T91.5Very high90Very high35 Ų3541.9 Ų41.922%0.21523%0.233CC..BIsolated β-bridgetrans-71.8159.7171.765.50000110.8S476 E480 N481 V482 R510 T511S476-T478 PolarHBondContact O-N 2.98Å; T478-E480 PolarHBondContact O-N 3.03Å; T478-N481 WeakPolarHBondContact O-CB 3.34Å; T478-N481 PolarHBondContact O-N 3.41Å; T478-N481 PolarHBondContact OG1-N 3.03Å; T478-N481 VanDerWaalsContact OG1-N 3.11Å; T478-N481 PolarHBondContact OG1-OD1 3.3Å; T478-N481 VanDerWaalsContact OG1-OD1 3.06Å; T478-V482 WeakPolarHBondContact O-CG2 3.18Å; T478-V482 PolarHBondContact O-N 3.09Å; T478-R510 CarbonylContact C-O 3.57Å; T478-R510 WeakPolarHBondContact CA-O 3.34Å; T478-T511 HydrophobicContact CG2-CG2 4.44Å
479I94Very high89.8Confident0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-63.3-31.5174.2-60.5-55.4000111V482 K483 L499 L506 E507 D508 R510 L512 Y515I479-V482 PolarHBondContact O-N 2.69Å; I479-K483 WeakPolarHBondContact O-CG 3.48Å; I479-K483 PolarHBondContact O-N 3.18Å; I479-L499 HydrophobicContact CG2-CD1 4.16Å; I479-L506 HydrophobicContact CB-CB 4.48Å; I479-L506 HydrophobicContact CD1-CB 3.91Å; I479-L506 HydrophobicContact CD1-CD1 3.63Å; I479-L506 HydrophobicContact CD1-CG 4.29Å; I479-L506 HydrophobicContact CG1-CB 3.87Å; I479-L506 HydrophobicContact CG2-CB 3.81Å; I479-E507 VanDerWaalsContact CB-O 3.3Å; I479-E507 WeakPolarHBondContact CB-O 3.38Å; I479-E507 VanDerWaalsContact CG1-O 3.26Å; I479-E507 WeakPolarHBondContact CG1-O 3.14Å; I479-D508 PolarHBondContact N-O 3.36Å; I479-R510 WeakPolarHBondContact CG1-O 3.28Å; I479-R510 PolarHBondContact N-O 3.42Å; I479-L512 HydrophobicContact CD1-CD2 3.97Å; I479-Y515 HydrophobicContact CD1-CD2 4.18Å; I479-Y515 HydrophobicContact CD1-CE2 4.19Å; I479-Y515 HydrophobicContact CG1-CD2 4.35Å; I479-Y515 HydrophobicContact CG1-CE2 3.88Å
480E93.2Very high89.7Confident118 Ų11847 Ų4755%0.55125%0.25SC*.Hα-helixtrans-59.5-45.4169.5-169.2169.2-16500112.1T478 V482 K483 A484 D508T478-E480 PolarHBondContact O-N 3.03Å; E480-V482 VanDerWaalsContact C-N 3.33Å; E480-V482 PolarHBondContact O-N 2.93Å; E480-K483 WeakPolarHBondContact O-CB 3.41Å; E480-K483 PolarHBondContact O-N 3.23Å; E480-K483 VanDerWaalsContact O-N 3.15Å; E480-A484 PolarHBondContact O-N 2.77Å; E480-D508 HydrophobicContact CB-CB 4.19Å; E480-D508 PolarHBondContact N-O 2.93Å; E480-D508 VanDerWaalsContact N-O 3.11Å
481N90.1Very high89.6Confident68 Ų6847.2 Ų47.236%0.36426%0.263SS..Hα-helixtrans-59.5-44.5174.5-65.1-2.3000111.3D477 T478 K483 A484 K485D477-N481 HydrophobicContact CB-CB 4.25Å; D477-N481 PolarHBondContact OD1-ND2 2.9Å; T478-N481 WeakPolarHBondContact O-CB 3.34Å; T478-N481 PolarHBondContact O-N 3.41Å; T478-N481 PolarHBondContact OG1-N 3.03Å; T478-N481 VanDerWaalsContact OG1-N 3.11Å; T478-N481 PolarHBondContact OG1-OD1 3.3Å; T478-N481 VanDerWaalsContact OG1-OD1 3.06Å; N481-K483 VanDerWaalsContact C-N 3.28Å; N481-K483 PolarHBondContact O-N 3.38Å; N481-A484 WeakPolarHBondContact O-CB 3.32Å; N481-A484 PolarHBondContact O-N 2.82Å; N481-K485 WeakPolarHBondContact O-CG 3.37Å; N481-K485 PolarHBondContact O-N 2.94Å
482V92.4Very high89.5Confident0 Ų048.5 Ų48.50%027%0.27CS..Hα-helixtrans-60.5-40.7177.6178.60000110.7I459 L471 V473 D477 T478 I479 E480 K485 I486 L499 L512I459-V482 HydrophobicContact CD1-CG1 4.26Å; L471-V482 HydrophobicContact CD1-CG1 3.8Å; V473-V482 HydrophobicContact CG1-CG2 4.32Å; D477-V482 HydrophobicContact CB-CG2 4.49Å; T478-V482 WeakPolarHBondContact O-CG2 3.18Å; T478-V482 PolarHBondContact O-N 3.09Å; I479-V482 PolarHBondContact O-N 2.69Å; E480-V482 VanDerWaalsContact C-N 3.33Å; E480-V482 PolarHBondContact O-N 2.93Å; V482-K485 PolarHBondContact O-N 2.78Å; V482-I486 HydrophobicContact CG1-CD1 4.25Å; V482-I486 WeakPolarHBondContact O-CG1 3.33Å; V482-I486 PolarHBondContact O-N 2.88Å; V482-L499 HydrophobicContact CB-CD1 4.25Å; V482-L499 HydrophobicContact CG1-CD1 3.74Å; V482-L512 HydrophobicContact CG2-CD1 4.15Å; V482-L512 HydrophobicContact CG2-CD2 3.93Å; V482-L512 HydrophobicContact CG2-CG 4.11Å
483K94.6Very high89.7Confident8 Ų847.7 Ų47.74%0.03527%0.27CS..Hα-helixtrans-64.9-42.2175.7-72.3174.2167.9-169.80112.5I479 E480 N481 K485 I486 Q487 P494 Q497 L499 D508I479-K483 WeakPolarHBondContact O-CG 3.48Å; I479-K483 PolarHBondContact O-N 3.18Å; E480-K483 WeakPolarHBondContact O-CB 3.41Å; E480-K483 PolarHBondContact O-N 3.23Å; E480-K483 VanDerWaalsContact O-N 3.15Å; N481-K483 VanDerWaalsContact C-N 3.28Å; N481-K483 PolarHBondContact O-N 3.38Å; K483-K485 VanDerWaalsContact C-N 3.32Å; K483-K485 PolarHBondContact O-N 2.91Å; K483-I486 WeakPolarHBondContact O-CB 3.44Å; K483-I486 PolarHBondContact O-N 3.49Å; K483-I486 VanDerWaalsContact O-N 3.17Å; K483-Q487 PolarHBondContact O-N 2.76Å; K483-P494 HydrophobicContact CB-CB 3.92Å; K483-P494 HydrophobicContact CB-CG 4.37Å; K483-P494 HydrophobicContact CD-CB 4.26Å; K483-P494 PolarHBondContact NZ-O 3.44Å; K483-Q497 HydrophobicContact CD-CB 4.26Å; K483-Q497 WeakPolarHBondContact CE-O 3.3Å; K483-Q497 HydrophobicContact CG-CB 4.03Å; K483-Q497 PolarHBondContact NZ-O 2.91Å; K483-Q497 PolarHBondContact O-NE2 3.46Å; K483-Q497 PolarHBondContact O-OE1 3.07Å; K483-L499 HydrophobicContact CG-CD1 3.88Å; K483-L499 HydrophobicContact CG-CG 4.43Å; K483-D508 WeakPolarHBondContact CD-OD1 3.27Å; K483-D508 WeakPolarHBondContact CE-OD1 3.42Å; K483-D508 VanDerWaalsContact NZ-CG 3.27Å; K483-D508 IonicContact NZ-OD1 2.68Å; K483-D508 PolarHBondContact NZ-OD1 3.28Å; K483-D508 IonicContact NZ-OD2 2.67Å; K483-D508 PolarHBondContact NZ-OD2 2.86Å
484A91.4Very high89.8Confident37 Ų3749.1 Ų49.131%0.30628%0.279SS..Hα-helixtrans-58.5-45173.800000111E480 N481 I486 Q487 D488E480-A484 PolarHBondContact O-N 2.77Å; N481-A484 WeakPolarHBondContact O-CB 3.32Å; N481-A484 PolarHBondContact O-N 2.82Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 3.47Å; A484-Q487 WeakPolarHBondContact O-CA 3.06Å; A484-Q487 VanDerWaalsContact O-CB 3.28Å; A484-Q487 WeakPolarHBondContact O-CB 3.45Å; A484-Q487 PolarHBondContact O-N 2.86Å; A484-D488 PolarHBondContact O-N 2.81Å
485K90.2Very high90Very high38 Ų3852.5 Ų52.517%0.16530%0.298CS..Hα-helixtrans-60.5-34.4175.7-66.3174.6-166.2-124.40113.1L471 E472 V473 D477 N481 V482 K483 K489L471-K485 HydrophobicContact CD2-CB 4.22Å; E472-K485 WeakPolarHBondContact O-CD 3.46Å; E472-K485 PolarHBondContact O-NZ 3.49Å; V473-K485 HydrophobicContact CG1-CD 4.17Å; D477-K485 VanDerWaalsContact OD2-CE 3.23Å; D477-K485 WeakPolarHBondContact OD2-CE 3.31Å; D477-K485 IonicContact OD2-NZ 3.07Å; D477-K485 PolarHBondContact OD2-NZ 2.82Å; N481-K485 WeakPolarHBondContact O-CG 3.37Å; N481-K485 PolarHBondContact O-N 2.94Å; V482-K485 PolarHBondContact O-N 2.78Å; K483-K485 VanDerWaalsContact C-N 3.32Å; K483-K485 PolarHBondContact O-N 2.91Å; K485-K489 PolarHBondContact O-N 3.2Å
486I91.1Very high90.2Very high0 Ų051.9 Ų51.90%029%0.289CS..Hα-helixtrans-70.4-40.7173.2-66.2164000110.6V461 L471 V482 K483 A484 D488 K489 E490 I492 Q497 L499 L525V461-I486 HydrophobicContact CG1-CD1 4.07Å; V461-I486 HydrophobicContact CG2-CD1 4.18Å; L471-I486 HydrophobicContact CD1-CD1 4.12Å; L471-I486 HydrophobicContact CD1-CG1 3.58Å; L471-I486 HydrophobicContact CD2-CG1 4.36Å; V482-I486 HydrophobicContact CG1-CD1 4.25Å; V482-I486 WeakPolarHBondContact O-CG1 3.33Å; V482-I486 PolarHBondContact O-N 2.88Å; K483-I486 WeakPolarHBondContact O-CB 3.44Å; K483-I486 PolarHBondContact O-N 3.49Å; K483-I486 VanDerWaalsContact O-N 3.17Å; A484-I486 VanDerWaalsContact C-N 3.27Å; A484-I486 PolarHBondContact O-N 3.47Å; I486-D488 VanDerWaalsContact C-N 3.29Å; I486-D488 PolarHBondContact O-N 2.91Å; I486-K489 PolarHBondContact O-N 2.88Å; I486-E490 WeakPolarHBondContact O-CB 3.42Å; I486-E490 PolarHBondContact O-N 2.83Å; I486-I492 HydrophobicContact CG2-CD1 4.38Å; I486-Q497 VanDerWaalsContact CD1-OE1 3.32Å; I486-L499 HydrophobicContact CD1-CD1 4.01Å; I486-L499 HydrophobicContact CD1-CD2 3.64Å; I486-L499 HydrophobicContact CD1-CG 4.34Å; I486-L525 HydrophobicContact CG2-CD2 3.89Å
487Q92.2Very high90.6Very high76 Ų7648.5 Ų48.536%0.35527%0.265SS..Hα-helixtrans-58.7-44.3175.3-176.6-178.91300110.7K483 A484 K489 G491 I492K483-Q487 PolarHBondContact O-N 2.76Å; A484-Q487 WeakPolarHBondContact O-CA 3.06Å; A484-Q487 VanDerWaalsContact O-CB 3.28Å; A484-Q487 WeakPolarHBondContact O-CB 3.45Å; A484-Q487 PolarHBondContact O-N 2.86Å; Q487-K489 VanDerWaalsContact C-N 3.32Å; Q487-K489 PolarHBondContact O-N 3.35Å; Q487-G491 WeakPolarHBondContact O-CA 3.5Å; Q487-G491 PolarHBondContact O-N 3.32Å; Q487-I492 VanDerWaalsContact CA-O 3.25Å; Q487-I492 WeakPolarHBondContact CA-O 3.38Å; Q487-I492 WeakPolarHBondContact CB-O 3.42Å; Q487-I492 WeakPolarHBondContact CG-O 3.32Å
488D85.6Confident90.8Very high132 Ų13253.1 Ų53.171%0.70628%0.283SS*.Hα-helixtrans-65.6-36.1-179.6-65-26.6000112.3A484 I486A484-D488 PolarHBondContact O-N 2.81Å; I486-D488 VanDerWaalsContact C-N 3.29Å; I486-D488 PolarHBondContact O-N 2.91Å
489K88.3Confident91Very high119 Ų11951.5 Ų51.552%0.51727%0.273SS..Hα-helixtrans-83.1-35.9-179.9-73.1-158.3178.6-166.10114.4I469 T470 L471 K485 I486 Q487I469-K489 HydrophobicContact CG2-CD 4.1Å; T470-K489 PolarHBondContact O-NZ 3.23Å; L471-K489 HydrophobicContact CD2-CD 3.95Å; K485-K489 PolarHBondContact O-N 3.2Å; I486-K489 PolarHBondContact O-N 2.88Å; Q487-K489 VanDerWaalsContact C-N 3.32Å; Q487-K489 PolarHBondContact O-N 3.35Å
490E90Very high91Very high63 Ų6353.4 Ų53.429%0.29428%0.282SS..Hα-helixtrans-120-6.1-169.4-62-68.4134.700113.6K467 I469 I486 I492K467-E490 WeakPolarHBondContact CE-OE1 3.25Å; K467-E490 IonicContact NZ-OE1 2.9Å; K467-E490 PolarHBondContact NZ-OE1 3.13Å; K467-E490 IonicContact NZ-OE2 3.23Å; K467-E490 PolarHBondContact NZ-OE2 3.07Å; I469-E490 HydrophobicContact CD1-CG 3.53Å; I469-E490 HydrophobicContact CG1-CG 4.01Å; I486-E490 WeakPolarHBondContact O-CB 3.42Å; I486-E490 PolarHBondContact O-N 2.83Å; E490-I492 VanDerWaalsContact C-N 3.28Å; E490-I492 HydrophobicContact CB-CD1 3.73Å; E490-I492 HydrophobicContact CB-CG1 4Å; E490-I492 PolarHBondContact O-N 3.12Å
491G88.7Confident91.2Very high59 Ų5949.9 Ų49.961%0.60827%0.265SS*.  trans73.514-17900000114.7Q487 P493Q487-G491 WeakPolarHBondContact O-CA 3.5Å; Q487-G491 PolarHBondContact O-N 3.32Å; G491-P493 WeakPolarHBondContact O-CD 3.22Å
492I88Confident91.2Very high27 Ų2750.9 Ų50.914%0.13828%0.283CS..  trans-90.1118.3-175.6-57.2162.4000109.7I486 Q487 E490 Q496 Q497 L525 L527I486-I492 HydrophobicContact CG2-CD1 4.38Å; Q487-I492 VanDerWaalsContact CA-O 3.25Å; Q487-I492 WeakPolarHBondContact CA-O 3.38Å; Q487-I492 WeakPolarHBondContact CB-O 3.42Å; Q487-I492 WeakPolarHBondContact CG-O 3.32Å; E490-I492 VanDerWaalsContact C-N 3.28Å; E490-I492 HydrophobicContact CB-CD1 3.73Å; E490-I492 HydrophobicContact CB-CG1 4Å; E490-I492 PolarHBondContact O-N 3.12Å; I492-Q496 HydrophobicContact CG2-CB 4.37Å; I492-Q497 HydrophobicContact CB-CG 4.31Å; I492-Q497 HydrophobicContact CG2-CG 3.58Å; I492-Q497 PolarHBondContact O-NE2 3.11Å; I492-L525 HydrophobicContact CD1-CD2 3.87Å; I492-L527 HydrophobicContact CD1-CD2 4.16Å; I492-L527 HydrophobicContact CG2-CD2 3.51Å
493P89.5Confident91.1Very high39 Ų3954.5 Ų54.525%0.25332%0.32SS..  trans-60.3138.8178.2-27.638.2000113.8G491 D495 Q496 Q497G491-P493 WeakPolarHBondContact O-CD 3.22Å; P493-D495 VanDerWaalsContact C-N 3.27Å; P493-D495 WeakPolarHBondContact CB-OD1 3.23Å; P493-D495 PolarHBondContact O-N 3.49Å; P493-Q496 HydrophobicContact CB-CG 4.37Å; P493-Q496 WeakPolarHBondContact O-CB 3.4Å; P493-Q496 PolarHBondContact O-N 3.02Å; P493-Q497 WeakPolarHBondContact O-CG 3.44Å; P493-Q497 PolarHBondContact O-N 3.32Å
494P90.4Very high90.9Very high33 Ų3361.1 Ų61.121%0.21435%0.349CS..G310 helixtrans-55.5-32.8-176.5-31.436.5000115.6K483 Q496 Q497K483-P494 HydrophobicContact CB-CB 3.92Å; K483-P494 HydrophobicContact CB-CG 4.37Å; K483-P494 HydrophobicContact CD-CB 4.26Å; K483-P494 PolarHBondContact NZ-O 3.44Å; P494-Q496 PolarHBondContact O-N 3.37Å; P494-Q497 PolarHBondContact O-N 2.84Å; P494-Q497 VanDerWaalsContact O-N 3.15Å
495D88.7Confident91Very high107 Ų10763.2 Ų63.257%0.57235%0.352SS*.G310 helixtrans-66.6-25.2176.863.1-52.1000112.7P493P493-D495 VanDerWaalsContact C-N 3.27Å; P493-D495 WeakPolarHBondContact CB-OD1 3.23Å; P493-D495 PolarHBondContact O-N 3.49Å
496Q91Very high91.2Very high55 Ų5561.5 Ų61.526%0.25735%0.345SS..G310 helixtrans-88.8-11.6175.4-61.3178.212.500112.8I492 P493 P494 L527 R528I492-Q496 HydrophobicContact CG2-CB 4.37Å; P493-Q496 HydrophobicContact CB-CG 4.37Å; P493-Q496 WeakPolarHBondContact O-CB 3.4Å; P493-Q496 PolarHBondContact O-N 3.02Å; P494-Q496 PolarHBondContact O-N 3.37Å; Q496-L527 WeakPolarHBondContact O-CA 3.43Å; Q496-R528 PolarHBondContact O-N 3.26Å
497Q93.1Very high91.3Very high0 Ų066.3 Ų66.30%037%0.368CS..EExtended strand (participates in β ladder)trans-89.3128.1-177.5-61.6-178.837.400111.8K483 I486 I492 P493 P494 L525K483-Q497 HydrophobicContact CD-CB 4.26Å; K483-Q497 WeakPolarHBondContact CE-O 3.3Å; K483-Q497 HydrophobicContact CG-CB 4.03Å; K483-Q497 PolarHBondContact NZ-O 2.91Å; K483-Q497 PolarHBondContact O-NE2 3.46Å; K483-Q497 PolarHBondContact O-OE1 3.07Å; I486-Q497 VanDerWaalsContact CD1-OE1 3.32Å; I492-Q497 HydrophobicContact CB-CG 4.31Å; I492-Q497 HydrophobicContact CG2-CG 3.58Å; I492-Q497 PolarHBondContact O-NE2 3.11Å; P493-Q497 WeakPolarHBondContact O-CG 3.44Å; P493-Q497 PolarHBondContact O-N 3.32Å; P494-Q497 PolarHBondContact O-N 2.84Å; P494-Q497 VanDerWaalsContact O-N 3.15Å; Q497-L525 HydrophobicContact CB-CD1 3.75Å; Q497-L525 HydrophobicContact CG-CD1 3.96Å
498R93.1Very high91.2Very high102 Ų10265.9 Ų65.939%0.38537%0.368SS..EExtended strand (participates in β ladder)trans-119.6107.1168.3-169.1-176.4-170.5-170.70.9109.3Q505 V526R498-Q505 HydrophobicContact CG-CG 4.04Å; R498-Q505 VanDerWaalsContact NE-CD 3.35Å; R498-V526 WeakPolarHBondContact CA-O 3.5Å; R498-V526 HydrophobicContact CB-CB 4.22Å; R498-V526 WeakPolarHBondContact CB-O 3.49Å; R498-V526 PolarHBondContact N-O 2.86Å; R498-V526 PolarHBondContact O-N 3.47Å
499L95.3Very high91.2Very high1 Ų163 Ų631%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-90.7136.8178.1-64.4176.6000110.8V461 I479 V482 K483 I486 L506 L523 H524 L525V461-L499 HydrophobicContact CG1-CD2 4.08Å; I479-L499 HydrophobicContact CG2-CD1 4.16Å; V482-L499 HydrophobicContact CB-CD1 4.25Å; V482-L499 HydrophobicContact CG1-CD1 3.74Å; K483-L499 HydrophobicContact CG-CD1 3.88Å; K483-L499 HydrophobicContact CG-CG 4.43Å; I486-L499 HydrophobicContact CD1-CD1 4.01Å; I486-L499 HydrophobicContact CD1-CD2 3.64Å; I486-L499 HydrophobicContact CD1-CG 4.34Å; L499-L506 HydrophobicContact CB-CB 4.22Å; L499-L506 HydrophobicContact CB-CD1 3.99Å; L499-L506 HydrophobicContact CB-CG 4.32Å; L499-L506 PolarHBondContact O-N 3.31Å; L499-L523 HydrophobicContact CD1-CD2 4.4Å; L499-H524 CarbonylContact C-O 3.56Å; L499-H524 WeakPolarHBondContact CA-O 3.47Å; L499-L525 HydrophobicContact CD2-CB 4.1Å; L499-L525 HydrophobicContact CD2-CD1 3.8Å
500I95.2Very high91.2Very high39 Ų3962.5 Ų62.520%0.237%0.365CS..EExtended strand (participates in β ladder)trans-130.7132.8-178.1-56.2174.5000109.1K504 L523 H524 V526I500-K504 CarbonylContact C-O 3.53Å; I500-K504 VanDerWaalsContact CA-O 3.28Å; I500-K504 WeakPolarHBondContact CA-O 3.21Å; I500-K504 WeakPolarHBondContact CG2-O 3.09Å; I500-L523 WeakPolarHBondContact O-CA 3.47Å; I500-H524 HydrophobicContact CB-CB 4.36Å; I500-H524 PolarHBondContact N-O 3.38Å; I500-H524 PolarHBondContact O-N 3.23Å; I500-V526 HydrophobicContact CD1-CG2 3.71Å
501F95.9Very high91.3Very high44 Ų4460.8 Ų60.819%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-136.5136.6173.5-177.5-111.7000109.7G503 K504 L506 I517 T522 L523F501-G503 PolarHBondContact O-N 2.86Å; F501-G503 VanDerWaalsContact O-N 3.09Å; F501-K504 PolarHBondContact N-O 3.28Å; F501-K504 PolarHBondContact O-N 3.33Å; F501-L506 HydrophobicContact CB-CD1 4.1Å; F501-L506 HydrophobicContact CB-CD2 3.9Å; F501-L506 HydrophobicContact CB-CG 4.28Å; F501-I517 HydrophobicContact CB-CD1 4.3Å; F501-I517 HydrophobicContact CD1-CD1 4.11Å; F501-I517 HydrophobicContact CD1-CG1 3.55Å; F501-I517 HydrophobicContact CD2-CG1 4.26Å; F501-I517 HydrophobicContact CE1-CG1 3.63Å; F501-I517 HydrophobicContact CE2-CG1 4.34Å; F501-I517 HydrophobicContact CG-CD1 4.12Å; F501-I517 HydrophobicContact CG-CG1 3.88Å; F501-I517 HydrophobicContact CZ-CG1 4.04Å; F501-T522 WeakPolarHBondContact CD2-O 3.39Å; F501-L523 HydrophobicContact CB-CG 4.32Å; F501-L523 HydrophobicContact CD2-CD1 4.08Å; F501-L523 HydrophobicContact CD2-CG 4.4Å
502A90.9Very high91.4Very high89 Ų8958 Ų5874%0.73633%0.33SS*.THydrogen-bonded Turntrans47.739.3-178.100000114K504A502-K504 PolarHBondContact O-N 3.15Å
503G89Confident91.6Very high76 Ų7659.2 Ų59.278%0.78434%0.341SS*.THydrogen-bonded Turntrans75.5-1.6-178.900000115.7F501F501-G503 PolarHBondContact O-N 2.86Å; F501-G503 VanDerWaalsContact O-N 3.09Å
504K92.1Very high91.6Very high148 Ų14861.5 Ų61.564%0.64335%0.351SS*.EExtended strand (participates in β ladder)trans-103.7138177.9-65.9-176179.9179.30110.9I500 F501 A502I500-K504 CarbonylContact C-O 3.53Å; I500-K504 VanDerWaalsContact CA-O 3.28Å; I500-K504 WeakPolarHBondContact CA-O 3.21Å; I500-K504 WeakPolarHBondContact CG2-O 3.09Å; F501-K504 PolarHBondContact N-O 3.28Å; F501-K504 PolarHBondContact O-N 3.33Å; A502-K504 PolarHBondContact O-N 3.15Å
505Q92.9Very high91.7Very high80 Ų8061.8 Ų61.837%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-70.3136.7168.5179.2-178.7-25.400109.3R498R498-Q505 HydrophobicContact CG-CG 4.04Å; R498-Q505 VanDerWaalsContact NE-CD 3.35Å
506L94.6Very high91.8Very high2 Ų262.4 Ų62.41%0.0135%0.351CS..PPolyproline II helixtrans-85.8137.9177.3-55.6-174.4000110.6I479 L499 F501 Y515 I517 L523I479-L506 HydrophobicContact CB-CB 4.48Å; I479-L506 HydrophobicContact CD1-CB 3.91Å; I479-L506 HydrophobicContact CD1-CD1 3.63Å; I479-L506 HydrophobicContact CD1-CG 4.29Å; I479-L506 HydrophobicContact CG1-CB 3.87Å; I479-L506 HydrophobicContact CG2-CB 3.81Å; L499-L506 HydrophobicContact CB-CB 4.22Å; L499-L506 HydrophobicContact CB-CD1 3.99Å; L499-L506 HydrophobicContact CB-CG 4.32Å; L499-L506 PolarHBondContact O-N 3.31Å; F501-L506 HydrophobicContact CB-CD1 4.1Å; F501-L506 HydrophobicContact CB-CD2 3.9Å; F501-L506 HydrophobicContact CB-CG 4.28Å; L506-Y515 HydrophobicContact CB-CE2 4.29Å; L506-Y515 HydrophobicContact CD2-CD1 3.65Å; L506-Y515 HydrophobicContact CD2-CD2 3.72Å; L506-Y515 HydrophobicContact CD2-CE1 3.75Å; L506-Y515 HydrophobicContact CD2-CE2 3.8Å; L506-Y515 HydrophobicContact CD2-CG 3.64Å; L506-I517 HydrophobicContact CD1-CD1 3.9Å; L506-I517 HydrophobicContact CD2-CD1 4.48Å; L506-L523 HydrophobicContact CD1-CD2 3.51Å; L506-L523 HydrophobicContact CD1-CG 4.06Å
507E92.4Very high91.8Very high102 Ų10259.9 Ų59.948%0.47734%0.339SS..PPolyproline II helixtrans-97.6133.6179.3-63.4172.1177.800111.1I479 G509 R510 Y515I479-E507 VanDerWaalsContact CB-O 3.3Å; I479-E507 WeakPolarHBondContact CB-O 3.38Å; I479-E507 VanDerWaalsContact CG1-O 3.26Å; I479-E507 WeakPolarHBondContact CG1-O 3.14Å; E507-G509 VanDerWaalsContact C-N 3.32Å; E507-G509 PolarHBondContact O-N 2.8Å; E507-R510 HydrophobicContact CB-CG 4.33Å; E507-R510 PolarHBondContact O-N 3.31Å; E507-R510 VanDerWaalsContact O-N 3.09Å; E507-R510 IonicContact OE1-NH2 3.03Å; E507-R510 IonicContact OE2-CZ 2.78Å; E507-R510 VanDerWaalsContact OE2-CZ 3.32Å; E507-R510 IonicContact OE2-NE 2.66Å; E507-R510 PolarHBondContact OE2-NE 3.28Å; E507-R510 IonicContact OE2-NH2 2.66Å; E507-R510 PolarHBondContact OE2-NH2 3.19Å; E507-Y515 WeakPolarHBondContact CB-OH 3.29Å; E507-Y515 PolarHBondContact N-OH 2.68Å
508D89.7Confident91.7Very high66 Ų6665.3 Ų65.335%0.35337%0.365SS..THydrogen-bonded Turntrans-55.5-40.5-170.2-68.5-7.7000114I479 E480 K483 R510I479-D508 PolarHBondContact N-O 3.36Å; E480-D508 HydrophobicContact CB-CB 4.19Å; E480-D508 PolarHBondContact N-O 2.93Å; E480-D508 VanDerWaalsContact N-O 3.11Å; K483-D508 WeakPolarHBondContact CD-OD1 3.27Å; K483-D508 WeakPolarHBondContact CE-OD1 3.42Å; K483-D508 VanDerWaalsContact NZ-CG 3.27Å; K483-D508 IonicContact NZ-OD1 2.68Å; K483-D508 PolarHBondContact NZ-OD1 3.28Å; K483-D508 IonicContact NZ-OD2 2.67Å; K483-D508 PolarHBondContact NZ-OD2 2.86Å; D508-R510 VanDerWaalsContact C-N 3.32Å; D508-R510 PolarHBondContact O-N 2.75Å
509G85.4Confident91.5Very high73 Ų7366 Ų6675%0.75337%0.37SS*.THydrogen-bonded Turntrans-81.31.5-178.200000115.9E507E507-G509 VanDerWaalsContact C-N 3.32Å; E507-G509 PolarHBondContact O-N 2.8Å
510R89.8Confident91.3Very high108 Ų10871.9 Ų71.941%0.40840%0.398SS..SBendtrans-99.1156.9175.5-65.5-156.6-156.7-162.9-1.8111.2T478 I479 E507 D508 D514 Y515T478-R510 CarbonylContact C-O 3.57Å; T478-R510 WeakPolarHBondContact CA-O 3.34Å; I479-R510 WeakPolarHBondContact CG1-O 3.28Å; I479-R510 PolarHBondContact N-O 3.42Å; E507-R510 HydrophobicContact CB-CG 4.33Å; E507-R510 PolarHBondContact O-N 3.31Å; E507-R510 VanDerWaalsContact O-N 3.09Å; E507-R510 IonicContact OE1-NH2 3.03Å; E507-R510 IonicContact OE2-CZ 2.78Å; E507-R510 VanDerWaalsContact OE2-CZ 3.32Å; E507-R510 IonicContact OE2-NE 2.66Å; E507-R510 PolarHBondContact OE2-NE 3.28Å; E507-R510 IonicContact OE2-NH2 2.66Å; E507-R510 PolarHBondContact OE2-NH2 3.19Å; D508-R510 VanDerWaalsContact C-N 3.32Å; D508-R510 PolarHBondContact O-N 2.75Å; R510-D514 HydrophobicContact CB-CB 4.25Å; R510-Y515 HydrophobicContact CB-CD2 4.36Å; R510-Y515 HydrophobicContact CB-CE2 3.51Å; R510-Y515 WeakPolarHBondContact CD-OH 3.24Å; R510-Y515 HydrophobicContact CG-CE2 4.32Å
511T90.9Very high91.2Very high27 Ų2771 Ų7117%0.16640%0.395CS..BIsolated β-bridgetrans-89.9164.8177.968.10000112.5S476 D477 T478 S513 D514 Y515S476-T511 VanDerWaalsContact O-CG2 3.31Å; S476-T511 WeakPolarHBondContact O-CG2 3.27Å; D477-T511 CarbonylContact O-C 3.46Å; D477-T511 WeakPolarHBondContact O-CA 3.38Å; T478-T511 HydrophobicContact CG2-CG2 4.44Å; T511-S513 PolarHBondContact O-N 3.14Å; T511-S513 PolarHBondContact OG1-N 3.34Å; T511-S513 PolarHBondContact OG1-OG 3.01Å; T511-D514 PolarHBondContact N-OD2 2.84Å; T511-D514 PolarHBondContact O-N 2.92Å; T511-D514 PolarHBondContact OG1-N 3.1Å; T511-D514 PolarHBondContact OG1-OD2 3.46Å; T511-Y515 WeakPolarHBondContact O-CD2 3.46Å
512L92.1Very high91.2Very high0 Ų071.1 Ų71.10%040%0.4CS..THydrogen-bonded Turntrans-58.1-38.3170-71.1-175.4000112M457 I459 V473 P475 D477 I479 V482 D514 Y515 N516 I517M457-L512 HydrophobicContact CE-CD1 4.4Å; I459-L512 HydrophobicContact CD1-CD1 4.2Å; I459-L512 HydrophobicContact CD1-CD2 4.35Å; V473-L512 HydrophobicContact CB-CD1 3.52Å; V473-L512 HydrophobicContact CG1-CD1 4.07Å; V473-L512 HydrophobicContact CG2-CD1 3.38Å; P475-L512 PolarHBondContact O-N 3.12Å; D477-L512 HydrophobicContact CB-CD1 4.32Å; D477-L512 HydrophobicContact CB-CG 4.49Å; D477-L512 PolarHBondContact O-N 3.37Å; I479-L512 HydrophobicContact CD1-CD2 3.97Å; V482-L512 HydrophobicContact CG2-CD1 4.15Å; V482-L512 HydrophobicContact CG2-CD2 3.93Å; V482-L512 HydrophobicContact CG2-CG 4.11Å; L512-D514 VanDerWaalsContact C-N 3.35Å; L512-D514 PolarHBondContact O-N 3.38Å; L512-Y515 PolarHBondContact O-N 2.86Å; L512-N516 PolarHBondContact O-N 2.77Å; L512-I517 HydrophobicContact CB-CB 4.23Å; L512-I517 HydrophobicContact CD2-CB 4.1Å; L512-I517 HydrophobicContact CD2-CD1 3.56Å; L512-I517 HydrophobicContact CD2-CG1 4.42Å; L512-I517 HydrophobicContact CD2-CG2 4.01Å; L512-I517 PolarHBondContact O-N 2.91Å
513S90.8Very high91.5Very high53 Ų5366.9 Ų66.937%0.37137%0.365SS..G310 helixtrans-63.9-36.1177.574.70000112.9P475 T511 Y515 N516P475-S513 VanDerWaalsContact O-CB 3.27Å; P475-S513 WeakPolarHBondContact O-CB 3.22Å; P475-S513 PolarHBondContact O-N 3.25Å; P475-S513 PolarHBondContact O-OG 2.81Å; T511-S513 PolarHBondContact O-N 3.14Å; T511-S513 PolarHBondContact OG1-N 3.34Å; T511-S513 PolarHBondContact OG1-OG 3.01Å; S513-Y515 PolarHBondContact O-N 2.89Å; S513-N516 PolarHBondContact O-N 3.1Å; S513-N516 PolarHBondContact O-OD1 2.94Å
514D90.7Very high91.8Very high87 Ų8767.9 Ų67.947%0.46535%0.349SS..G310 helixtrans-62-26.7177.5-66-46.2000112.6R510 T511 L512R510-D514 HydrophobicContact CB-CB 4.25Å; T511-D514 PolarHBondContact N-OD2 2.84Å; T511-D514 PolarHBondContact O-N 2.92Å; T511-D514 PolarHBondContact OG1-N 3.1Å; T511-D514 PolarHBondContact OG1-OD2 3.46Å; L512-D514 VanDerWaalsContact C-N 3.35Å; L512-D514 PolarHBondContact O-N 3.38Å
515Y91.6Very high91.9Very high38 Ų3861.1 Ų61.115%0.14932%0.319CS..G310 helixtrans-97.35.5175.7-66.5-72.4000113.4I479 L506 E507 R510 T511 L512 S513 I517I479-Y515 HydrophobicContact CD1-CD2 4.18Å; I479-Y515 HydrophobicContact CD1-CE2 4.19Å; I479-Y515 HydrophobicContact CG1-CD2 4.35Å; I479-Y515 HydrophobicContact CG1-CE2 3.88Å; L506-Y515 HydrophobicContact CB-CE2 4.29Å; L506-Y515 HydrophobicContact CD2-CD1 3.65Å; L506-Y515 HydrophobicContact CD2-CD2 3.72Å; L506-Y515 HydrophobicContact CD2-CE1 3.75Å; L506-Y515 HydrophobicContact CD2-CE2 3.8Å; L506-Y515 HydrophobicContact CD2-CG 3.64Å; E507-Y515 WeakPolarHBondContact CB-OH 3.29Å; E507-Y515 PolarHBondContact N-OH 2.68Å; R510-Y515 HydrophobicContact CB-CD2 4.36Å; R510-Y515 HydrophobicContact CB-CE2 3.51Å; R510-Y515 WeakPolarHBondContact CD-OH 3.24Å; R510-Y515 HydrophobicContact CG-CE2 4.32Å; T511-Y515 WeakPolarHBondContact O-CD2 3.46Å; L512-Y515 PolarHBondContact O-N 2.86Å; S513-Y515 PolarHBondContact O-N 2.89Å; Y515-I517 HydrophobicContact CG-CD1 4.49Å; Y515-I517 PolarHBondContact O-N 3.25Å
516N90.8Very high91.9Very high121 Ų12159.1 Ų59.165%0.64731%0.313SS*.THydrogen-bonded Turntrans5133.9-171.6-72.5-30.3000112.9L512 S513 Q518L512-N516 PolarHBondContact O-N 2.77Å; S513-N516 PolarHBondContact O-N 3.1Å; S513-N516 PolarHBondContact O-OD1 2.94Å; N516-Q518 PolarHBondContact O-N 3.24Å
517I91.2Very high91.5Very high1 Ų163.3 Ų63.31%0.00534%0.335CS..  trans-71.9119.8173.6-66166000106.6M457 I459 F501 L506 L512 Y515 L523M457-I517 VanDerWaalsContact CE-O 3.3Å; M457-I517 WeakPolarHBondContact CE-O 3.19Å; I459-I517 HydrophobicContact CG2-CG2 3.9Å; F501-I517 HydrophobicContact CB-CD1 4.3Å; F501-I517 HydrophobicContact CD1-CD1 4.11Å; F501-I517 HydrophobicContact CD1-CG1 3.55Å; F501-I517 HydrophobicContact CD2-CG1 4.26Å; F501-I517 HydrophobicContact CE1-CG1 3.63Å; F501-I517 HydrophobicContact CE2-CG1 4.34Å; F501-I517 HydrophobicContact CG-CD1 4.12Å; F501-I517 HydrophobicContact CG-CG1 3.88Å; F501-I517 HydrophobicContact CZ-CG1 4.04Å; L506-I517 HydrophobicContact CD1-CD1 3.9Å; L506-I517 HydrophobicContact CD2-CD1 4.48Å; L512-I517 HydrophobicContact CB-CB 4.23Å; L512-I517 HydrophobicContact CD2-CB 4.1Å; L512-I517 HydrophobicContact CD2-CD1 3.56Å; L512-I517 HydrophobicContact CD2-CG1 4.42Å; L512-I517 HydrophobicContact CD2-CG2 4.01Å; L512-I517 PolarHBondContact O-N 2.91Å; Y515-I517 HydrophobicContact CG-CD1 4.49Å; Y515-I517 PolarHBondContact O-N 3.25Å; I517-L523 HydrophobicContact CD1-CD1 4.16Å; I517-L523 HydrophobicContact CD1-CD2 4.33Å; I517-L523 HydrophobicContact CD1-CG 4.42Å; I517-L523 HydrophobicContact CG2-CD1 3.94Å
518Q90.5Very high90.9Very high114 Ų11464.5 Ų64.553%0.53334%0.335SS..  trans-105170.2-177.4-61.1-57.7-42.500111M457 N516 E520 S521M457-Q518 VanDerWaalsContact CE-C 3.44Å; N516-Q518 PolarHBondContact O-N 3.24Å; Q518-E520 PolarHBondContact O-N 2.73Å; Q518-S521 PolarHBondContact N-OG 3.24Å; Q518-S521 WeakPolarHBondContact O-CB 3.5Å; Q518-S521 PolarHBondContact O-N 3.28Å; Q518-S521 PolarHBondContact O-OG 2.9Å
519K89.1Confident89.7Confident116 Ų11669.4 Ų69.450%0.50436%0.36SS..THydrogen-bonded Turntrans-47.5137.6168-177.7172.6178.5173.60110.7M457 S521M457-K519 HydrophobicContact CG-CB 4.1Å; K519-S521 PolarHBondContact O-N 2.81Å
520E90.9Very high88.3Confident126 Ų12676.3 Ų76.359%0.58936%0.364SS*.THydrogen-bonded Turntrans65.58.4-177.1-66.3166.2-159.400115.6Q458 F460 Q518Q458-E520 WeakPolarHBondContact O-CA 3.28Å; Q458-E520 PolarHBondContact O-N 2.97Å; F460-E520 WeakPolarHBondContact CD2-O 3.32Å; F460-E520 HydrophobicContact CE2-CB 3.87Å; F460-E520 HydrophobicContact CE2-CG 3.95Å; F460-E520 HydrophobicContact CZ-CG 4.42Å; Q518-E520 PolarHBondContact O-N 2.73Å
521S94.9Very high86.3Confident21 Ų2174.9 Ų74.915%0.14738%0.382CS..  trans-62.2146.6172.2-66.30000111.6I459 F460 Q518 K519I459-S521 WeakPolarHBondContact CA-O 3.44Å; I459-S521 WeakPolarHBondContact CB-O 3.41Å; F460-S521 PolarHBondContact N-O 2.97Å; Q518-S521 PolarHBondContact N-OG 3.24Å; Q518-S521 WeakPolarHBondContact O-CB 3.5Å; Q518-S521 PolarHBondContact O-N 3.28Å; Q518-S521 PolarHBondContact O-OG 2.9Å; K519-S521 PolarHBondContact O-N 2.81Å
522T95.6Very high83.7Confident46 Ų4677 Ų7728%0.28241%0.409SS..EExtended strand (participates in β ladder)trans-111.9118.8178.5-58.20000111.5F460 K462 F501F460-T522 HydrophobicContact CB-CG2 4.31Å; F460-T522 CarbonylContact O-C 3.6Å; F460-T522 VanDerWaalsContact O-CA 3.27Å; F460-T522 WeakPolarHBondContact O-CA 3.25Å; K462-T522 HydrophobicContact CB-CG2 4.32Å; K462-T522 HydrophobicContact CD-CG2 3.77Å; K462-T522 HydrophobicContact CG-CG2 3.71Å; F501-T522 WeakPolarHBondContact CD2-O 3.39Å
523L96.3Very high80.8Confident0 Ų088.6 Ų88.60%047%0.469CS..EExtended strand (participates in β ladder)trans-94.2157.3170.9-74.462.8000109.6I459 F460 V461 K462 L499 I500 F501 L506 I517I459-L523 HydrophobicContact CD1-CD1 4.07Å; I459-L523 HydrophobicContact CD1-CD2 4.21Å; F460-L523 PolarHBondContact O-N 3.34Å; V461-L523 CarbonylContact C-O 3.57Å; V461-L523 WeakPolarHBondContact CA-O 3.48Å; V461-L523 HydrophobicContact CG2-CB 4.31Å; K462-L523 PolarHBondContact N-O 3.18Å; L499-L523 HydrophobicContact CD1-CD2 4.4Å; I500-L523 WeakPolarHBondContact O-CA 3.47Å; F501-L523 HydrophobicContact CB-CG 4.32Å; F501-L523 HydrophobicContact CD2-CD1 4.08Å; F501-L523 HydrophobicContact CD2-CG 4.4Å; L506-L523 HydrophobicContact CD1-CD2 3.51Å; L506-L523 HydrophobicContact CD1-CG 4.06Å; I517-L523 HydrophobicContact CD1-CD1 4.16Å; I517-L523 HydrophobicContact CD1-CD2 4.33Å; I517-L523 HydrophobicContact CD1-CG 4.42Å; I517-L523 HydrophobicContact CG2-CD1 3.94Å
524H95.9Very high80.3Confident97 Ų9790.4 Ų90.445%0.44947%0.474SS..EExtended strand (participates in β ladder)trans-111.4127.6173.8-64.575.8000109.7K462 L499 I500K462-H524 WeakPolarHBondContact O-CA 3.1Å; L499-H524 CarbonylContact C-O 3.56Å; L499-H524 WeakPolarHBondContact CA-O 3.47Å; I500-H524 HydrophobicContact CB-CB 4.36Å; I500-H524 PolarHBondContact N-O 3.38Å; I500-H524 PolarHBondContact O-N 3.23Å
525L94.6Very high79.8Confident5 Ų590.6 Ų90.63%0.02647%0.474CS..EExtended strand (participates in β ladder)trans-97.6117.2175.317664.3000110V461 K462 T463 I486 I492 Q497 L499V461-L525 HydrophobicContact CG1-CB 3.56Å; K462-L525 PolarHBondContact O-N 3.49Å; T463-L525 HydrophobicContact CG2-CD2 4.45Å; I486-L525 HydrophobicContact CG2-CD2 3.89Å; I492-L525 HydrophobicContact CD1-CD2 3.87Å; Q497-L525 HydrophobicContact CB-CD1 3.75Å; Q497-L525 HydrophobicContact CG-CD1 3.96Å; L499-L525 HydrophobicContact CD2-CB 4.1Å; L499-L525 HydrophobicContact CD2-CD1 3.8Å
526V91.2Very high79.1Confident38 Ų3893.5 Ų93.523%0.2349%0.492CS..EExtended strand (participates in β ladder)trans-109.5127.4172.1178.80000108L464 R498 I500L464-V526 HydrophobicContact CD1-CG1 4.32Å; L464-V526 HydrophobicContact CD2-CG2 4.32Å; R498-V526 WeakPolarHBondContact CA-O 3.5Å; R498-V526 HydrophobicContact CB-CB 4.22Å; R498-V526 WeakPolarHBondContact CB-O 3.49Å; R498-V526 PolarHBondContact N-O 2.86Å; R498-V526 PolarHBondContact O-N 3.47Å; I500-V526 HydrophobicContact CD1-CG2 3.71Å
527L87.1Confident78.5Confident91 Ų9191.9 Ų91.948%0.47648%0.483SS..EExtended strand (participates in β ladder)trans-81132.4175.7-63.9178.5000109.7I492 Q496 L529I492-L527 HydrophobicContact CD1-CD2 4.16Å; I492-L527 HydrophobicContact CG2-CD2 3.51Å; Q496-L527 WeakPolarHBondContact O-CA 3.43Å; L527-L529 PolarHBondContact O-N 3.09Å
528R79.7Confident77.7Confident127 Ų12797.6 Ų97.648%0.47951%0.513SS..PPolyproline II helixtrans-72.7118.4165.4-69.6-179.2173.9171.7-2.9107.6Q496 R530Q496-R528 PolarHBondContact O-N 3.26Å; R528-R530 PolarHBondContact O-N 2.81Å
529L65.2Low76.8Confident169 Ų16996.5 Ų96.589%0.88551%0.512SS*.PPolyproline II helixtrans-59.6130.6167.4-71.6165.6000107.4L527 G531L527-L529 PolarHBondContact O-N 3.09Å; L529-G531 PolarHBondContact O-N 3.16Å
530R55.3Low75.9Confident218 Ų21895.1 Ų95.182%0.82351%0.512SS*.  trans-45121.4170.8-82.2-174.5-176.5-179.91107.4R528 G532R528-R530 PolarHBondContact O-N 2.81Å; R530-G532 PolarHBondContact O-N 2.94Å
531G48.4Very low74.8Confident78 Ų7892.7 Ų92.780%0.80451%0.506SS*.  trans-52112.2165.600000107L529 I533L529-G531 PolarHBondContact O-N 3.16Å; G531-I533 PolarHBondContact O-N 2.79Å
532G35.7Very low73.1Confident70 Ų7098.7 Ų98.772%0.72254%0.536SS*.  trans-69.9123.7165.200000107.6R530R530-G532 PolarHBondContact O-N 2.94Å
533I32.2Very low71.1Confident245 Ų245103.5 Ų103.5100%1.25656%0.559SS**  trans740164-47.8177.8000115.3G531G531-I533 PolarHBondContact O-N 2.79Å

Retrieved 533 of 533 residues in 204.3 ms (Link to these results)

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