A0A075BJJ9_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BJJ9, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M30Very low49.1Very low234 Ų234115.7 Ų115.7100%1.15364%0.644SS**  0114.10-89.1172.7159.300106.6
2E21.8Very low51.4Low178 Ų178115.3 Ų115.383%0.83263%0.631SS**  trans-75.8154.5168.1-68.1-179.3143.700109.7I4E2-I4 PolarHBondContact O-N 3.43Å
3P26.1Very low53.9Low127 Ų127116.8 Ų116.883%0.82563%0.627SS**  trans-68.7112.7174.128.4-33.1000110.1G5P3-G5 PolarHBondContact O-N 3.46Å
4I32.5Very low55.8Low140 Ų140112.5 Ų112.572%0.71861%0.607SS**  trans-65.9116174.2-61.9166.8000108.4E2 L7E2-I4 PolarHBondContact O-N 3.43Å; I4-L7 HydrophobicContact CG2-CD1 3.92Å
5G33.2Very low57Low57 Ų57111.9 Ų111.959%0.58861%0.609SS**  trans-62.5158.9175.600000113P3 L7P3-G5 PolarHBondContact O-N 3.46Å; G5-L7 PolarHBondContact O-N 3.22Å; G5-L7 VanDerWaalsContact O-N 3.14Å
6D42.1Very low57.5Low105 Ų105109.5 Ų109.556%0.56160%0.602SS**  trans-51117.6-177.6-85.9-41.9000112.3Q8 H38 K42D6-Q8 PolarHBondContact O-N 2.87Å; D6-H38 IonicContact OD1-CE1 3.53Å; D6-H38 PolarHBondContact OD1-CE1 3.4Å; D6-H38 IonicContact OD1-NE2 3.42Å; D6-H38 PolarHBondContact OD1-NE2 3.32Å; D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 2.95Å; D6-K42 IonicContact OD2-NZ 3.53Å
7L55.5Low57.8Low58 Ų58108 Ų10830%0.30462%0.618SS.*  trans-6994.7174.2-84.495.9000110.2I4 G5 V9 D34 H38I4-L7 HydrophobicContact CG2-CD1 3.92Å; G5-L7 PolarHBondContact O-N 3.22Å; G5-L7 VanDerWaalsContact O-N 3.14Å; L7-V9 PolarHBondContact O-N 2.9Å; L7-D34 HydrophobicContact CD2-CB 4.13Å; L7-H38 HydrophobicContact CD1-CB 4.48Å
8Q61Low58.2Low193 Ų193106.1 Ų106.190%0.90263%0.625SS**  trans-71.9113.9167.2-68.8-167.6-0.800110.3D6D6-Q8 PolarHBondContact O-N 2.87Å
9V76.9Confident59Low26 Ų26103.2 Ų103.216%0.15861%0.609CS.*  trans-111.2135.4175.2173.80000108.9L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 2.9Å; V9-S11 PolarHBondContact O-N 2.96Å; V9-A24 HydrophobicContact CG1-CB 4.15Å; V9-P26 HydrophobicContact CG1-CB 4.26Å; V9-P26 HydrophobicContact CG1-CG 3.94Å; V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CB 4.05Å; V9-F35 HydrophobicContact CG2-CD2 3.43Å; V9-F35 VanDerWaalsContact CG2-CD2 3.43Å; V9-F35 HydrophobicContact CG2-CE2 4.01Å; V9-F35 HydrophobicContact CG2-CG 3.79Å
10P79.4Confident59.9Low79 Ų79101 Ų10151%0.51360%0.597SS.*  trans-54127.3172.3-25.134.5000110.8A24 S25P10-A24 WeakPolarHBondContact O-CA 3.34Å; P10-S25 PolarHBondContact O-N 3.01Å
11S81.8Confident61Low76 Ų7696.6 Ų96.653%0.53157%0.57SS.*EExtended strand (participates in β ladder)trans-147.5149.8-179.865.70000112.5V9 Y23V9-S11 PolarHBondContact O-N 2.96Å; S11-Y23 CarbonylContact C-O 3.44Å; S11-Y23 WeakPolarHBondContact CA-O 3.49Å; S11-Y23 WeakPolarHBondContact CB-O 3.4Å
12F76Confident63.7Low111 Ų11186.1 Ų86.149%0.48752%0.52SS..EExtended strand (participates in β ladder)trans-139158.1175.864.8-85.6000110.2V14 T22 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.59Å; F12-T22 WeakPolarHBondContact O-CA 3.43Å; F12-Y23 HydrophobicContact CD2-CD2 4.37Å; F12-Y23 HydrophobicContact CE1-CG 4.25Å; F12-Y23 AromaticContact CE2-CD2 3.78Å; F12-Y23 HydrophobicContact CE2-CD2 3.78Å; F12-Y23 AromaticContact CE2-CG 3.92Å; F12-Y23 HydrophobicContact CE2-CG 3.92Å; F12-Y23 VanDerWaalsContact CZ-CB 3.49Å; F12-Y23 HydrophobicContact CZ-CD1 4.31Å; F12-Y23 HydrophobicContact CZ-CD2 4.06Å; F12-Y23 AromaticContact CZ-CG 3.7Å; F12-Y23 HydrophobicContact CZ-CG 3.7Å; F12-Y23 PolarHBondContact N-O 2.89Å; F12-Y23 PolarHBondContact O-N 3.17Å
13K83.8Confident66.6Low134 Ų13479.9 Ų79.958%0.58349%0.489SS*.EExtended strand (participates in β ladder)trans-114135.2-179.5-62.1-161.5178.3-151.50111.4T20 F21 T22 E144K13-T20 HydrophobicContact CB-CG2 4.27Å; K13-T20 HydrophobicContact CD-CG2 4.04Å; K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.38Å; K13-T22 WeakPolarHBondContact CE-OG1 3.49Å; K13-T22 HydrophobicContact CG-CG2 4.27Å; K13-T22 PolarHBondContact NZ-OG1 2.82Å; K13-E144 IonicContact NZ-OE1 3.45Å; K13-E144 PolarHBondContact NZ-OE1 2.97Å
14V80.4Confident69.5Low57 Ų5773.8 Ų73.835%0.34545%0.449SS..EExtended strand (participates in β ladder)trans-124.1132.3175.7-176.70000108.5F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.75Å; F12-V14 HydrophobicContact CE2-CG2 3.59Å; V14-F21 PolarHBondContact N-O 3.14Å; V14-F21 PolarHBondContact O-N 3.09Å; V14-Y23 HydrophobicContact CB-CD2 4.48Å; V14-Y23 HydrophobicContact CB-CE2 4.1Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.96Å
15V74.8Confident71.9Confident104 Ų10469.1 Ų69.163%0.6343%0.429SS*.EExtended strand (participates in β ladder)trans-100.9120173.2-176.60000108.6T19V15-T19 WeakPolarHBondContact CA-O 3.38Å
16S65.2Low74.3Confident73 Ų7366.4 Ų66.451%0.5140%0.401SS..EExtended strand (participates in β ladder)trans-137.5132.8177.1-173.60000110.1G18 T19S16-G18 PolarHBondContact O-N 3.1Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 3.42Å; S16-T19 PolarHBondContact O-N 3.4Å
17G62Low75.8Confident84 Ų8469.7 Ų69.787%0.86641%0.41SS*.THydrogen-bonded Turntrans57.225.5-178.800000115T19G17-T19 VanDerWaalsContact C-N 3.28Å; G17-T19 PolarHBondContact O-N 2.86Å
18G64.9Low76.9Confident73 Ų7368.8 Ų68.875%0.75341%0.409SS*.THydrogen-bonded Turntrans80-0.8-174.300000115.2S16S16-G18 PolarHBondContact O-N 3.1Å; S16-G18 VanDerWaalsContact O-N 3.11Å
19T72.8Confident77.7Confident51 Ų5162.1 Ų62.131%0.31339%0.392SS..EExtended strand (participates in β ladder)trans-100.7138.9175.3-55.20000110.2V15 S16 G17 F21 M145V15-T19 WeakPolarHBondContact CA-O 3.38Å; S16-T19 PolarHBondContact N-O 3.42Å; S16-T19 PolarHBondContact O-N 3.4Å; G17-T19 VanDerWaalsContact C-N 3.28Å; G17-T19 PolarHBondContact O-N 2.86Å; T19-F21 HydrophobicContact CG2-CE2 3.99Å; T19-F21 HydrophobicContact CG2-CZ 4.12Å; T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.25Å; T19-M145 HydrophobicContact CG2-CG 3.45Å; T19-M145 VanDerWaalsContact CG2-CG 3.45Å
20T77Confident77.7Confident60 Ų6063.4 Ų63.437%0.36841%0.405SS..EExtended strand (participates in β ladder)trans-95.8119.7176.1-58.60000110.1K13 M145K13-T20 HydrophobicContact CB-CG2 4.27Å; K13-T20 HydrophobicContact CD-CG2 4.04Å; T20-M145 PolarHBondContact O-N 3.14Å
21F83.3Confident77.8Confident9 Ų960.8 Ų60.84%0.03939%0.39CS..EExtended strand (participates in β ladder)trans-100.4120.2173.7-64.9-92.8000109.5K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.56Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.38Å; V14-F21 PolarHBondContact N-O 3.14Å; V14-F21 PolarHBondContact O-N 3.09Å; T19-F21 HydrophobicContact CG2-CE2 3.99Å; T19-F21 HydrophobicContact CG2-CZ 4.12Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.55Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; F21-F129 HydrophobicContact CE1-CZ 4.37Å; F21-L133 HydrophobicContact CE1-CD2 3.73Å; F21-L133 HydrophobicContact CZ-CD1 4.01Å; F21-L133 HydrophobicContact CZ-CD2 3.64Å; F21-L133 HydrophobicContact CZ-CG 4.5Å; F21-M145 CarbonylContact C-O 3.52Å; F21-M145 WeakPolarHBondContact CA-O 3.29Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.63Å; F21-M145 HydrophobicContact CE1-SD 4.38Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.4Å; F21-M145 HydrophobicContact CZ-CG 4.09Å; F21-V147 HydrophobicContact CD1-CG2 4.08Å
22T87.1Confident77.9Confident14 Ų1457.9 Ų57.99%0.08637%0.37CS..EExtended strand (participates in β ladder)trans-90.7116.5165.1-53.70000107.7F12 K13 M145 L146 V147F12-T22 WeakPolarHBondContact O-CA 3.43Å; K13-T22 WeakPolarHBondContact CE-OG1 3.49Å; K13-T22 HydrophobicContact CG-CG2 4.27Å; K13-T22 PolarHBondContact NZ-OG1 2.82Å; T22-M145 PolarHBondContact N-O 3.21Å; T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.52Å; T22-L146 WeakPolarHBondContact O-CA 3.47Å; T22-L146 WeakPolarHBondContact O-CD1 3.38Å; T22-V147 PolarHBondContact O-N 3.18Å
23Y83.7Confident78.4Confident46 Ų4653.8 Ų53.818%0.1835%0.353CS..EExtended strand (participates in β ladder)trans-91.7130.2171-71.5-97.5000108.4S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.44Å; S11-Y23 WeakPolarHBondContact CA-O 3.49Å; S11-Y23 WeakPolarHBondContact CB-O 3.4Å; F12-Y23 HydrophobicContact CD2-CD2 4.37Å; F12-Y23 HydrophobicContact CE1-CG 4.25Å; F12-Y23 AromaticContact CE2-CD2 3.78Å; F12-Y23 HydrophobicContact CE2-CD2 3.78Å; F12-Y23 AromaticContact CE2-CG 3.92Å; F12-Y23 HydrophobicContact CE2-CG 3.92Å; F12-Y23 VanDerWaalsContact CZ-CB 3.49Å; F12-Y23 HydrophobicContact CZ-CD1 4.31Å; F12-Y23 HydrophobicContact CZ-CD2 4.06Å; F12-Y23 AromaticContact CZ-CG 3.7Å; F12-Y23 HydrophobicContact CZ-CG 3.7Å; F12-Y23 PolarHBondContact N-O 2.89Å; F12-Y23 PolarHBondContact O-N 3.17Å; V14-Y23 HydrophobicContact CB-CD2 4.48Å; V14-Y23 HydrophobicContact CB-CE2 4.1Å; V14-Y23 HydrophobicContact CG2-CD2 4.03Å; V14-Y23 HydrophobicContact CG2-CE2 3.96Å; F21-Y23 HydrophobicContact CB-CD2 4.14Å; F21-Y23 HydrophobicContact CB-CE2 3.55Å; F21-Y23 HydrophobicContact CG-CE2 4.42Å; Y23-V147 WeakPolarHBondContact CA-O 3.43Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.65Å; Y23-V147 HydrophobicContact CD1-CG2 4.28Å; Y23-V147 HydrophobicContact CE1-CB 3.77Å; Y23-V147 HydrophobicContact CE1-CG1 3.61Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; Y23-T149 HydrophobicContact CD1-CG2 4.04Å
24A85.6Confident78.5Confident0 Ų050.5 Ų50.50%034%0.342CS..EExtended strand (participates in β ladder)trans-121.4135.617500000109.4V9 P10 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 4.15Å; P10-A24 WeakPolarHBondContact O-CA 3.34Å; A24-P26 WeakPolarHBondContact O-CD 3.33Å; A24-F35 HydrophobicContact CB-CE1 3.81Å; A24-F35 HydrophobicContact CB-CZ 4.05Å; A24-L146 HydrophobicContact CB-CD1 4.14Å; A24-V147 PolarHBondContact N-O 3.22Å; A24-T149 PolarHBondContact O-N 2.74Å; A24-T149 PolarHBondContact O-OG1 2.97Å; A24-T149 VanDerWaalsContact O-OG1 3.09Å
25S83.4Confident78.8Confident41 Ų4149.2 Ų49.229%0.28733%0.332SS..  trans-121.978.6-175.6-52.30000111.2P10 T149P10-S25 PolarHBondContact O-N 3.01Å; S25-T149 PolarHBondContact OG-OG1 3.14Å
26P83.1Confident79.4Confident1 Ų144.4 Ų44.41%0.00630%0.302CS..  trans-66.1142.4175-14.729.2000111.3V9 A24 S28 A31 S32 F35 I148 C151V9-P26 HydrophobicContact CG1-CB 4.26Å; V9-P26 HydrophobicContact CG1-CG 3.94Å; A24-P26 WeakPolarHBondContact O-CD 3.33Å; P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.08Å; P26-A31 HydrophobicContact CB-CB 4.11Å; P26-S32 WeakPolarHBondContact CB-OG 3.39Å; P26-S32 WeakPolarHBondContact CG-OG 3.47Å; P26-F35 HydrophobicContact CG-CD1 4.33Å; P26-I148 HydrophobicContact CG-CG2 4.08Å; P26-C151 VanDerWaalsContact O-CB 3.3Å; P26-C151 WeakPolarHBondContact O-CB 3.39Å
27K75Confident80.5Confident173 Ų17340.9 Ų40.975%0.75228%0.278SS*.SBendtrans-67.1-10.7-171-60.8-175.2179-176.30115.8
28S77.9Confident81.6Confident39 Ų3938.7 Ų38.727%0.27325%0.245SC..SBendtrans-162.5162.7178.872.60000110.6P26 A30 A31 S32P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.08Å; S28-A30 PolarHBondContact O-N 2.79Å; S28-A31 PolarHBondContact O-N 3.41Å; S28-A31 VanDerWaalsContact O-N 3.09Å; S28-A31 PolarHBondContact OG-N 3Å; S28-S32 PolarHBondContact O-N 3.22Å; S28-S32 PolarHBondContact O-OG 3.28Å
29G76.8Confident82.5Confident54 Ų5436 Ų3656%0.55721%0.214SC*.Hα-helixtrans-58.6-32.2176.400000114.1L33G29-L33 WeakPolarHBondContact O-CG 3.29Å; G29-L33 PolarHBondContact O-N 2.99Å
30A78.5Confident83.1Confident52 Ų5234.3 Ų34.343%0.4320%0.203SC..Hα-helixtrans-68.3-47.217300000111.2S28 S32 L33 D34S28-A30 PolarHBondContact O-N 2.79Å; A30-S32 PolarHBondContact O-N 3.11Å; A30-L33 PolarHBondContact O-N 3.44Å; A30-D34 VanDerWaalsContact O-CG 3.26Å; A30-D34 PolarHBondContact O-N 3.31Å
31A79.8Confident83.3Confident24 Ų2437.8 Ų37.820%0.19821%0.21CC..Hα-helixtrans-61.2-32175.800000112.5P26 S28 D34 F35P26-A31 HydrophobicContact CB-CB 4.11Å; S28-A31 PolarHBondContact O-N 3.41Å; S28-A31 VanDerWaalsContact O-N 3.09Å; S28-A31 PolarHBondContact OG-N 3Å; A31-D34 PolarHBondContact O-N 2.91Å; A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 2.75Å
32S83.9Confident82.8Confident15 Ų1543.6 Ų43.611%0.10524%0.235CC..Hα-helixtrans-63.1-42.4172.3-62.20000112.7P26 S28 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.39Å; P26-S32 WeakPolarHBondContact CG-OG 3.47Å; S28-S32 PolarHBondContact O-N 3.22Å; S28-S32 PolarHBondContact O-OG 3.28Å; A30-S32 PolarHBondContact O-N 3.11Å; S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 PolarHBondContact O-N 3.22Å
33L88Confident81.9Confident26 Ų2646.3 Ų46.314%0.13624%0.243CC..Hα-helixtrans-72.4-35.8178.3-67.5165.5000111.9G29 A30 L36 A37 L63 E66 R70G29-L33 WeakPolarHBondContact O-CG 3.29Å; G29-L33 PolarHBondContact O-N 2.99Å; A30-L33 PolarHBondContact O-N 3.44Å; L33-L36 PolarHBondContact O-N 2.73Å; L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.36Å; L33-A37 PolarHBondContact O-N 2.99Å; L33-L63 HydrophobicContact CD2-CD1 3.7Å; L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.04Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.14Å; L33-E66 HydrophobicContact CD2-CB 3.91Å; L33-R70 VanDerWaalsContact CB-CZ 3.5Å
34D84.5Confident80.5Confident65 Ų6550.5 Ų50.535%0.34826%0.264SS..Hα-helixtrans-70.4-42.2176.4-61.4-23.9000111.5L7 A30 A31 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 4.13Å; A30-D34 VanDerWaalsContact O-CG 3.26Å; A30-D34 PolarHBondContact O-N 3.31Å; A31-D34 PolarHBondContact O-N 2.91Å; D34-A37 PolarHBondContact O-N 3.45Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.15Å; D34-H38 PolarHBondContact O-N 3.06Å; D34-R70 IonicContact OD1-CZ 2.68Å; D34-R70 IonicContact OD1-NE 2.98Å; D34-R70 PolarHBondContact OD1-NE 3.33Å; D34-R70 IonicContact OD1-NH2 3.06Å; D34-R70 PolarHBondContact OD1-NH2 3.07Å
35F86.6Confident78.8Confident29 Ų2953.1 Ų53.113%0.12729%0.286CS..Hα-helixtrans-61.7-42.7171.4172.8-106.9000111.9V9 A24 P26 A31 H38 T39 L146 I148V9-F35 HydrophobicContact CB-CD2 4.01Å; V9-F35 HydrophobicContact CB-CE2 4.06Å; V9-F35 HydrophobicContact CG2-CB 4.05Å; V9-F35 HydrophobicContact CG2-CD2 3.43Å; V9-F35 VanDerWaalsContact CG2-CD2 3.43Å; V9-F35 HydrophobicContact CG2-CE2 4.01Å; V9-F35 HydrophobicContact CG2-CG 3.79Å; A24-F35 HydrophobicContact CB-CE1 3.81Å; A24-F35 HydrophobicContact CB-CZ 4.05Å; P26-F35 HydrophobicContact CG-CD1 4.33Å; A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 2.75Å; F35-H38 PolarHBondContact O-N 2.71Å; F35-T39 WeakPolarHBondContact O-CB 3.13Å; F35-T39 PolarHBondContact O-N 3.38Å; F35-T39 PolarHBondContact O-OG1 2.75Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.48Å
36L88.6Confident77.3Confident3 Ų357 Ų572%0.01630%0.304CS..Hα-helixtrans-64.9-45.6177.5-175.562.4000111.4S32 L33 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 PolarHBondContact O-N 3.22Å; L33-L36 PolarHBondContact O-N 2.73Å; L36-T39 PolarHBondContact O-N 3.44Å; L36-L40 HydrophobicContact CD1-CD1 4.26Å; L36-L40 HydrophobicContact CD1-CG 4.49Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.09Å; L36-L40 PolarHBondContact O-N 3.33Å; L36-L52 HydrophobicContact CD1-CD2 3.73Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L36-L63 HydrophobicContact CD2-CD1 3.71Å; L36-L67 HydrophobicContact CD2-CD1 4.14Å; L36-L67 HydrophobicContact CD2-CD2 4.09Å; L36-L67 HydrophobicContact CD2-CG 4.47Å; L36-L67 HydrophobicContact CG-CD2 4.11Å; L36-I119 HydrophobicContact CD1-CD1 3.65Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L36-T121 HydrophobicContact CD2-CG2 3.99Å; L36-I148 HydrophobicContact CB-CD1 4.24Å; L36-I148 HydrophobicContact CD1-CD1 3.93Å
37A87.4Confident76Confident0 Ų062.9 Ų62.90%033%0.334CS..Hα-helixtrans-62.6-43.3175.700000111.6L33 D34 L40 R41 L67 R70 V72L33-A37 VanDerWaalsContact O-CB 3.3Å; L33-A37 WeakPolarHBondContact O-CB 3.36Å; L33-A37 PolarHBondContact O-N 2.99Å; D34-A37 PolarHBondContact O-N 3.45Å; A37-L40 PolarHBondContact O-N 3.14Å; A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 VanDerWaalsContact O-CG 3.31Å; A37-R41 WeakPolarHBondContact O-CG 3.33Å; A37-R41 PolarHBondContact O-N 3Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; A37-R70 HydrophobicContact CB-CB 3.8Å; A37-R70 HydrophobicContact CB-CG 4.45Å; A37-V72 HydrophobicContact CB-CG2 3.86Å
38H84.9Confident75.8Confident38 Ų3857.9 Ų57.918%0.17631%0.313CS..Hα-helixtrans-60.4-45.6173.8179.190.7000111.7D6 L7 D34 F35 L40 R41 K42D6-H38 IonicContact OD1-CE1 3.53Å; D6-H38 PolarHBondContact OD1-CE1 3.4Å; D6-H38 IonicContact OD1-NE2 3.42Å; D6-H38 PolarHBondContact OD1-NE2 3.32Å; L7-H38 HydrophobicContact CD1-CB 4.48Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.15Å; D34-H38 PolarHBondContact O-N 3.06Å; F35-H38 PolarHBondContact O-N 2.71Å; H38-L40 VanDerWaalsContact C-N 3.34Å; H38-L40 PolarHBondContact O-N 2.86Å; H38-R41 PolarHBondContact O-N 3.46Å; H38-K42 WeakPolarHBondContact NE2-CD 3.45Å; H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.49Å; H38-K42 PolarHBondContact O-N 2.87Å
39T84.6Confident76Confident16 Ų1658.3 Ų58.310%0.09831%0.31CS..Hα-helixtrans-57.9-44.9176.8-60.70000111.9F35 L36 R43 L117 L146F35-T39 WeakPolarHBondContact O-CB 3.13Å; F35-T39 PolarHBondContact O-N 3.38Å; F35-T39 PolarHBondContact O-OG1 2.75Å; L36-T39 PolarHBondContact O-N 3.44Å; T39-R43 PolarHBondContact O-N 3.05Å; T39-L117 HydrophobicContact CG2-CD2 4.48Å; T39-L146 HydrophobicContact CG2-CD2 4.31Å
40L85.4Confident76.5Confident16 Ų1656.1 Ų56.18%0.08429%0.286CS..Hα-helixtrans-74.6-19.9179.8-67.2171.7000114.1L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CD1-CD1 4.26Å; L36-L40 HydrophobicContact CD1-CG 4.49Å; L36-L40 HydrophobicContact CG-CD1 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 VanDerWaalsContact O-CG 3.28Å; L36-L40 WeakPolarHBondContact O-CG 3.09Å; L36-L40 PolarHBondContact O-N 3.33Å; A37-L40 PolarHBondContact O-N 3.14Å; H38-L40 VanDerWaalsContact C-N 3.34Å; H38-L40 PolarHBondContact O-N 2.86Å; L40-T50 HydrophobicContact CD2-CG2 3.76Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.33Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.21Å; L40-V72 HydrophobicContact CB-CG1 3.82Å; L40-V72 HydrophobicContact CD1-CG1 3.84Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; L40-A99 HydrophobicContact CD2-CB 3.89Å; L40-I119 HydrophobicContact CD2-CD1 4.27Å
41R80.9Confident77.1Confident133 Ų13353.7 Ų53.750%0.50227%0.266SS..Hα-helixtrans-88.6-33.7172.1-69.2-170.8-138.2124.2-7.3113A37 H38 R70 V72A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 VanDerWaalsContact O-CG 3.31Å; A37-R41 WeakPolarHBondContact O-CG 3.33Å; A37-R41 PolarHBondContact O-N 3Å; H38-R41 PolarHBondContact O-N 3.46Å; R41-R70 PolarHBondContact NE-O 2.97Å; R41-R70 PolarHBondContact NH2-O 3.11Å; R41-V72 HydrophobicContact CG-CG2 3.91Å
42K74.1Confident77.7Confident131 Ų13152.5 Ų52.557%0.5726%0.256SS*.Hα-helixtrans-76.4-29.1-177.2-172164.6-173.4167.70112.9D6 H38D6-K42 IonicContact OD1-NZ 2.66Å; D6-K42 PolarHBondContact OD1-NZ 2.95Å; D6-K42 IonicContact OD2-NZ 3.53Å; H38-K42 WeakPolarHBondContact NE2-CD 3.45Å; H38-K42 VanDerWaalsContact O-CB 3.26Å; H38-K42 WeakPolarHBondContact O-CB 3.49Å; H38-K42 PolarHBondContact O-N 2.87Å
43R66.8Low78.1Confident71 Ų7151.8 Ų51.827%0.26825%0.251SS..SBendtrans-86.3118.9167.1-69.5169.3178.5-113.79108T39 A45 E48 E144T39-R43 PolarHBondContact O-N 3.05Å; R43-A45 PolarHBondContact O-N 3.41Å; R43-E48 VanDerWaalsContact CD-OE2 3.25Å; R43-E48 WeakPolarHBondContact CD-OE2 3.18Å; R43-E48 IonicContact CZ-OE2 3.58Å; R43-E48 IonicContact NE-OE2 3.54Å; R43-E48 IonicContact NH1-OE1 2.59Å; R43-E48 IonicContact NH1-OE2 2.71Å; R43-E48 PolarHBondContact NH1-OE2 3.31Å; R43-E144 IonicContact CZ-OE2 2.1Å; R43-E144 IonicContact NH1-OE2 3.51Å; R43-E144 IonicContact NH2-OE2 2.55Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å
44E54.1Low78.3Confident133 Ų13350.7 Ų50.762%0.62125%0.246SC*.  trans-60.7111.5-178.7-69.5-172.116900110.6N46 I47E44-N46 PolarHBondContact O-N 3Å; E44-I47 PolarHBondContact O-N 2.91Å
45A51.2Low78.5Confident56 Ų5650.4 Ų50.446%0.46324%0.242SC..THydrogen-bonded Turntrans-58.2-15.7-174.300000114.3R43 N97R43-A45 PolarHBondContact O-N 3.41Å; A45-N97 WeakPolarHBondContact O-CB 3.42Å
46N50.7Low78.5Confident123 Ų12353.1 Ų53.166%0.65826%0.255SS*.THydrogen-bonded Turntrans-81.2-7.5176.6-70.9-34.4000114.9E44 N97E44-N46 PolarHBondContact O-N 3Å; N46-N97 PolarHBondContact OD1-ND2 3.18Å
47I57.4Low78.3Confident124 Ų12455 Ų5564%0.63627%0.265SS*.THydrogen-bonded Turntrans-123-37.2-174.3-54-179.2000112.6E44E44-I47 PolarHBondContact O-N 2.91Å
48E69.1Low78.1Confident67 Ų6760.3 Ų60.331%0.31329%0.288SS..  trans-107116.9-176.7-69.5-171.6-176.700114R43 T50 N116R43-E48 VanDerWaalsContact CD-OE2 3.25Å; R43-E48 WeakPolarHBondContact CD-OE2 3.18Å; R43-E48 IonicContact CZ-OE2 3.58Å; R43-E48 IonicContact NE-OE2 3.54Å; R43-E48 IonicContact NH1-OE1 2.59Å; R43-E48 IonicContact NH1-OE2 2.71Å; R43-E48 PolarHBondContact NH1-OE2 3.31Å; E48-T50 PolarHBondContact O-N 2.83Å; E48-N116 HydrophobicContact CB-CB 4.12Å; E48-N116 HydrophobicContact CG-CB 4.24Å
49K82.8Confident78.3Confident48 Ų4860.1 Ų60.121%0.20929%0.288CS..  trans-74.2106.7173.5-73173.1-174162.40110.4W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.83Å; K49-W91 HydrophobicContact CB-CZ3 4.49Å; K49-W91 HydrophobicContact CG-CH2 4.38Å; K49-W91 HydrophobicContact CG-CZ2 4.34Å; K49-S92 PolarHBondContact NZ-O 3.44Å; K49-E114 WeakPolarHBondContact CD-O 3.44Å; K49-N116 PolarHBondContact N-OD1 3.49Å; K49-N116 PolarHBondContact O-N 3.09Å; K49-L117 PolarHBondContact O-N 3.34Å
50T87.9Confident78.4Confident9 Ų959.3 Ų59.36%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-105.9132.1-178.4-580000112.2L40 E48 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.76Å; E48-T50 PolarHBondContact O-N 2.83Å; T50-A99 HydrophobicContact CG2-CB 4.38Å; T50-A99 WeakPolarHBondContact O-CA 3.4Å; T50-L100 PolarHBondContact O-N 3.33Å; T50-L117 CarbonylContact C-O 3.53Å; T50-L117 WeakPolarHBondContact CA-O 3.34Å; T50-L117 HydrophobicContact CG2-CB 4.19Å; T50-L117 HydrophobicContact CG2-CD2 3.93Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; T50-I119 HydrophobicContact CG2-CD1 3.89Å; T50-I119 HydrophobicContact CG2-CG1 4.09Å
51I90.8Very high78.5Confident0 Ų063.7 Ų63.70%030%0.303CS..EExtended strand (participates in β ladder)trans-108.3135.7172.5-57.9179.4000109.6I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.35Å; I51-W91 HydrophobicContact CG1-CH2 3.56Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.32Å; I51-L100 CarbonylContact C-O 3.59Å; I51-L100 WeakPolarHBondContact CA-O 3.26Å; I51-L102 HydrophobicContact CG2-CD2 3.7Å; I51-L102 HydrophobicContact CG2-CG 4.13Å; I51-L110 HydrophobicContact CD1-CD2 3.89Å; I51-V113 HydrophobicContact CD1-CG2 4.23Å; I51-A115 HydrophobicContact CD1-CB 3.65Å; I51-A115 HydrophobicContact CG1-CB 3.95Å; I51-L117 PolarHBondContact N-O 3.32Å; I51-V118 HydrophobicContact CB-CG2 4.35Å; I51-V118 WeakPolarHBondContact O-CA 3.26Å; I51-I119 PolarHBondContact O-N 3.18Å
52L92.6Very high78.9Confident0 Ų065 Ų650%031%0.308CS..EExtended strand (participates in β ladder)trans-114.4117.8177.3-69.9151.8000108.3L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.73Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.28Å; L40-L52 HydrophobicContact CD1-CD1 4.04Å; L40-L52 HydrophobicContact CD1-CD2 4.33Å; L52-L63 HydrophobicContact CB-CD2 4.37Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L52-T74 HydrophobicContact CD1-CG2 4.19Å; L52-A99 HydrophobicContact CD1-CB 3.65Å; L52-L100 PolarHBondContact N-O 2.9Å; L52-I101 HydrophobicContact CB-CB 4.32Å; L52-I101 HydrophobicContact CB-CG1 3.91Å; L52-I101 HydrophobicContact CB-CG2 4.4Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.6Å; L52-I101 HydrophobicContact CG-CG1 4.39Å; L52-I101 WeakPolarHBondContact O-CA 3.45Å; L52-L102 PolarHBondContact O-N 2.63Å; L52-I119 HydrophobicContact CD2-CB 4.01Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; L52-T121 HydrophobicContact CD2-CG2 3.93Å
53I92Very high79.6Confident0 Ų059.5 Ų59.50%028%0.284CS..EExtended strand (participates in β ladder)trans-112.3116.4-174.3-52.5178.5000110.6I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I53-L102 WeakPolarHBondContact CA-O 3.29Å; I53-L102 HydrophobicContact CG1-CD1 4.08Å; I53-L102 HydrophobicContact CG2-CD1 4.26Å; I53-L107 HydrophobicContact CD1-CD2 4.14Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.15Å; I53-I119 PolarHBondContact N-O 3.15Å; I53-T121 PolarHBondContact O-N 2.79Å; I53-T121 PolarHBondContact O-OG1 3.07Å; I53-T121 VanDerWaalsContact O-OG1 3.08Å; I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.91Å; I53-L136 HydrophobicContact CD1-CG 4.31Å
54C91.4Very high80.8Confident2 Ų260.2 Ų60.21%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-98.5166.3167.7-56.10000111E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.82Å; C54-A60 HydrophobicContact CB-CB 4.11Å; C54-L102 PolarHBondContact N-O 2.76Å; C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.22Å; C54-D104 PolarHBondContact O-N 3.41Å; C54-T121 PolarHBondContact SG-OG1 3.31Å; C54-T122 WeakPolarHBondContact CA-OG1 3.3Å
55Q89Confident82.4Confident59 Ų5959.8 Ų59.828%0.27629%0.286SS..SBendtrans-80-45173.8-169.1-179.822.100110.4E59 D104 T122 P124Q55-E59 WeakPolarHBondContact CA-OE2 3.48Å; Q55-E59 WeakPolarHBondContact CB-OE2 3.24Å; Q55-E59 PolarHBondContact N-OE2 3.07Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.32Å; Q55-T122 PolarHBondContact N-OG1 2.82Å; Q55-P124 HydrophobicContact CG-CB 4.23Å
56Q86.6Confident84.2Confident87 Ų8758.7 Ų58.741%0.40727%0.271SS..SBendtrans-121.4153.3-173.9-52.9-164.535.500112.9F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 HydrophobicContact CB-CD1 3.75Å; Q56-F58 HydrophobicContact CB-CE1 3.71Å; Q56-F58 HydrophobicContact CG-CE1 4.15Å; Q56-F58 PolarHBondContact O-N 3.44Å; Q56-E59 HydrophobicContact CB-CG 4.3Å; Q56-E59 PolarHBondContact N-OE2 3.29Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 3.01Å; Q56-E59 VanDerWaalsContact O-N 3.14Å; Q56-A60 PolarHBondContact O-N 3.12Å
57N85.5Confident86Confident41 Ų4152.8 Ų52.822%0.21924%0.24CC..Hα-helixtrans-61.5-33.7-179.1179.568.4000113.2E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.27Å; N57-E59 PolarHBondContact O-N 3.48Å; N57-A60 WeakPolarHBondContact O-CB 3.29Å; N57-A60 PolarHBondContact O-N 2.83Å; N57-E61 PolarHBondContact ND2-OE1 2.96Å; N57-E61 WeakPolarHBondContact O-CG 3.35Å; N57-E61 PolarHBondContact O-N 2.93Å; N57-P79 HydrophobicContact CB-CG 4.11Å; N57-P79 WeakPolarHBondContact OD1-CD 3.48Å; N57-P79 WeakPolarHBondContact OD1-CG 3.48Å
58F82.9Confident87.3Confident112 Ų11249.6 Ų49.649%0.49123%0.232SC..Hα-helixtrans-67.3-30.7178.780.8-99.3000112.2Q56 R62Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 HydrophobicContact CB-CD1 3.75Å; Q56-F58 HydrophobicContact CB-CE1 3.71Å; Q56-F58 HydrophobicContact CG-CE1 4.15Å; Q56-F58 PolarHBondContact O-N 3.44Å; F58-R62 WeakPolarHBondContact O-CB 3.44Å; F58-R62 PolarHBondContact O-N 3.23Å
59E88Confident88Confident34 Ų3452.3 Ų52.316%0.15924%0.244CC..Hα-helixtrans-69.5-43174.5-61.4159.2-170.800109.8C54 Q55 Q56 N57 R62 L63C54-E59 HydrophobicContact CB-CB 3.82Å; Q55-E59 WeakPolarHBondContact CA-OE2 3.48Å; Q55-E59 WeakPolarHBondContact CB-OE2 3.24Å; Q55-E59 PolarHBondContact N-OE2 3.07Å; Q56-E59 HydrophobicContact CB-CG 4.3Å; Q56-E59 PolarHBondContact N-OE2 3.29Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 3.01Å; Q56-E59 VanDerWaalsContact O-N 3.14Å; N57-E59 VanDerWaalsContact C-N 3.27Å; N57-E59 PolarHBondContact O-N 3.48Å; E59-R62 PolarHBondContact O-N 3.24Å; E59-L63 WeakPolarHBondContact O-CB 3.3Å; E59-L63 PolarHBondContact O-N 3.18Å
60A87.9Confident88.2Confident0 Ų052.1 Ų52.10%024%0.242CC..Hα-helixtrans-63.1-40.6176.100000112.4C54 Q56 N57 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.11Å; Q56-A60 PolarHBondContact O-N 3.12Å; N57-A60 WeakPolarHBondContact O-CB 3.29Å; N57-A60 PolarHBondContact O-N 2.83Å; A60-K64 WeakPolarHBondContact O-CB 3.24Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.09Å; A60-L76 HydrophobicContact CB-CD1 3.56Å; A60-I101 HydrophobicContact CB-CG2 3.72Å
61E87.6Confident87.9Confident107 Ų10757.7 Ų57.750%0.527%0.272SS..Hα-helixtrans-64.6-43.9172.2-75.9178.1-17000112.4N57 F65 L76N57-E61 PolarHBondContact ND2-OE1 2.96Å; N57-E61 WeakPolarHBondContact O-CG 3.35Å; N57-E61 PolarHBondContact O-N 2.93Å; E61-F65 PolarHBondContact O-N 3.3Å; E61-L76 HydrophobicContact CB-CD2 4.41Å; E61-L76 HydrophobicContact CG-CD2 3.62Å
62R88.4Confident87.6Confident161 Ų16158.3 Ų58.361%0.60828%0.275SS*.Hα-helixtrans-64.3-47.3176-178.4179.7175.2-170.9-2.5111.5F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.44Å; F58-R62 PolarHBondContact O-N 3.23Å; E59-R62 PolarHBondContact O-N 3.24Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.01Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.3Å; R62-E66 HydrophobicContact CG-CG 4Å; R62-E66 IonicContact CZ-OE1 3.14Å; R62-E66 IonicContact NE-OE1 3.96Å; R62-E66 PolarHBondContact NE-OE1 2.95Å; R62-E66 VanDerWaalsContact NE-OE1 3.16Å; R62-E66 IonicContact NH2-OE1 3.41Å; R62-E66 PolarHBondContact NH2-OE1 2.92Å; R62-E66 VanDerWaalsContact NH2-OE1 3.11Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.46Å
63L89.3Confident87Confident15 Ų1564.1 Ų64.18%0.07931%0.307CS..Hα-helixtrans-58.5-41.3179.7-176.564.9000111.3L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.7Å; L36-L63 HydrophobicContact CD2-CD1 3.71Å; L52-L63 HydrophobicContact CB-CD2 4.37Å; E59-L63 WeakPolarHBondContact O-CB 3.3Å; E59-L63 PolarHBondContact O-N 3.18Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.06Å; L63-E66 PolarHBondContact O-N 2.96Å; L63-L67 HydrophobicContact CD1-CD1 4.15Å; L63-L67 HydrophobicContact CD1-CG 4.27Å; L63-L67 HydrophobicContact CG-CD1 3.99Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 2.97Å; L63-I101 HydrophobicContact CD2-CD1 4.41Å; L63-I101 HydrophobicContact CD2-CG2 4.17Å; L63-I101 HydrophobicContact CG-CD1 4.31Å; L63-T121 HydrophobicContact CD2-CG2 3.73Å
64K91.8Very high86.9Confident86 Ų8664.6 Ų64.637%0.37431%0.31SS..Hα-helixtrans-58.4-43.1174.2-165.3-162.2-171.2172.90112.1A60 R62 A68 T74 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.24Å; A60-K64 PolarHBondContact O-N 3.26Å; A60-K64 VanDerWaalsContact O-N 3.09Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.01Å; K64-A68 WeakPolarHBondContact O-CB 3.45Å; K64-A68 PolarHBondContact O-N 2.83Å; K64-A68 VanDerWaalsContact O-N 3.09Å; K64-T74 WeakPolarHBondContact CE-O 3.41Å; K64-T74 WeakPolarHBondContact CG-OG1 3.42Å; K64-L76 HydrophobicContact CD-CB 3.76Å; K64-L76 HydrophobicContact CD-CD2 4.31Å; K64-L76 HydrophobicContact CG-CB 4.35Å; K64-I101 HydrophobicContact CB-CD1 3.82Å; K64-I101 HydrophobicContact CG-CD1 4.19Å
65F87.5Confident86.8Confident124 Ų12465.9 Ų65.954%0.54432%0.316SS..Hα-helixtrans-68.2-49.2179.1-176-90.9000111.4E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.3Å; R62-F65 WeakPolarHBondContact O-CB 3.14Å; R62-F65 PolarHBondContact O-N 3.3Å; L63-F65 VanDerWaalsContact C-N 3.31Å; L63-F65 PolarHBondContact O-N 3.06Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 3.25Å; F65-A68 WeakPolarHBondContact O-CB 3.34Å; F65-A68 PolarHBondContact O-N 2.85Å; F65-E69 HydrophobicContact CD1-CG 4.34Å; F65-E69 HydrophobicContact CE1-CG 3.91Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.49Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.41Å; F65-E69 PolarHBondContact O-N 3.21Å
66E89.6Confident86.8Confident33 Ų3364.3 Ų64.315%0.15431%0.309CS..Hα-helixtrans-61.7-33.3179.7-66-90.5-166.200113L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 4Å; L33-E66 HydrophobicContact CD1-CG 4.04Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.14Å; L33-E66 HydrophobicContact CD2-CB 3.91Å; R62-E66 HydrophobicContact CG-CG 4Å; R62-E66 IonicContact CZ-OE1 3.14Å; R62-E66 IonicContact NE-OE1 3.96Å; R62-E66 PolarHBondContact NE-OE1 2.95Å; R62-E66 VanDerWaalsContact NE-OE1 3.16Å; R62-E66 IonicContact NH2-OE1 3.41Å; R62-E66 PolarHBondContact NH2-OE1 2.92Å; R62-E66 VanDerWaalsContact NH2-OE1 3.11Å; R62-E66 VanDerWaalsContact O-CG 3.26Å; R62-E66 WeakPolarHBondContact O-CG 3.43Å; R62-E66 PolarHBondContact O-N 3.46Å; L63-E66 PolarHBondContact O-N 2.96Å; E66-R70 WeakPolarHBondContact O-CD 3.45Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-NH1 2.94Å; E66-R70 IonicContact OE2-CZ 3.83Å; E66-R70 IonicContact OE2-NH1 2.8Å; E66-R70 PolarHBondContact OE2-NH1 2.86Å
67L87.3Confident86.7Confident0 Ų060.2 Ų60.20%029%0.29CS..Hα-helixtrans-76.6-33.4173.2-74.4176.2000112.5L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 4.14Å; L36-L67 HydrophobicContact CD2-CD2 4.09Å; L36-L67 HydrophobicContact CD2-CG 4.47Å; L36-L67 HydrophobicContact CG-CD2 4.11Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.21Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L63-L67 HydrophobicContact CD1-CD1 4.15Å; L63-L67 HydrophobicContact CD1-CG 4.27Å; L63-L67 HydrophobicContact CG-CD1 3.99Å; L63-L67 HydrophobicContact CG-CG 4.47Å; L63-L67 WeakPolarHBondContact O-CB 3.45Å; L63-L67 WeakPolarHBondContact O-CG 3.4Å; L63-L67 PolarHBondContact O-N 2.97Å; F65-L67 VanDerWaalsContact C-N 3.29Å; F65-L67 PolarHBondContact O-N 3.25Å; L67-R70 CarbonylContact O-C 3.59Å; L67-R70 VanDerWaalsContact O-C 3.28Å; L67-R70 WeakPolarHBondContact O-CA 3.45Å; L67-R70 PolarHBondContact O-N 3.27Å; L67-R70 VanDerWaalsContact O-N 3.08Å; L67-D71 PolarHBondContact O-N 3.48Å; L67-V72 CarbonylContact C-O 3.49Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 HydrophobicContact CD2-CB 4.43Å; L67-V72 PolarHBondContact O-N 3.04Å; L67-T74 HydrophobicContact CB-CG2 4.37Å; L67-T74 HydrophobicContact CD1-CG2 3.8Å; L67-I101 HydrophobicContact CD1-CD1 4.38Å
68A84.8Confident86Confident56 Ų5661.2 Ų61.246%0.46330%0.299SS..Hα-helixtrans-69.3-35.1175.100000112.5K64 F65 R70 D71K64-A68 WeakPolarHBondContact O-CB 3.45Å; K64-A68 PolarHBondContact O-N 2.83Å; K64-A68 VanDerWaalsContact O-N 3.09Å; F65-A68 WeakPolarHBondContact O-CB 3.34Å; F65-A68 PolarHBondContact O-N 2.85Å; A68-R70 PolarHBondContact O-N 2.78Å; A68-D71 PolarHBondContact O-N 2.87Å
69E85.3Confident85.2Confident125 Ų12558 Ų5858%0.58429%0.289SS*.THydrogen-bonded Turntrans-65.3-15.6169.3-68.6-165.8146.500113F65F65-E69 HydrophobicContact CD1-CG 4.34Å; F65-E69 HydrophobicContact CE1-CG 3.91Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.49Å; F65-E69 HydrophobicContact CZ-CG 4.23Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.41Å; F65-E69 PolarHBondContact O-N 3.21Å
70R86.4Confident84.1Confident43 Ų4364 Ų6416%0.16232%0.317CS..THydrogen-bonded Turntrans-106.725.4176.1-65.1169.9174.182.8-1.1112L33 D34 A37 R41 E66 L67 A68 V72L33-R70 VanDerWaalsContact CB-CZ 3.5Å; D34-R70 IonicContact OD1-CZ 2.68Å; D34-R70 IonicContact OD1-NE 2.98Å; D34-R70 PolarHBondContact OD1-NE 3.33Å; D34-R70 IonicContact OD1-NH2 3.06Å; D34-R70 PolarHBondContact OD1-NH2 3.07Å; A37-R70 HydrophobicContact CB-CB 3.8Å; A37-R70 HydrophobicContact CB-CG 4.45Å; R41-R70 PolarHBondContact NE-O 2.97Å; R41-R70 PolarHBondContact NH2-O 3.11Å; E66-R70 WeakPolarHBondContact O-CD 3.45Å; E66-R70 WeakPolarHBondContact O-CG 3.39Å; E66-R70 PolarHBondContact O-NH1 2.94Å; E66-R70 IonicContact OE2-CZ 3.83Å; E66-R70 IonicContact OE2-NH1 2.8Å; E66-R70 PolarHBondContact OE2-NH1 2.86Å; L67-R70 CarbonylContact O-C 3.59Å; L67-R70 VanDerWaalsContact O-C 3.28Å; L67-R70 WeakPolarHBondContact O-CA 3.45Å; L67-R70 PolarHBondContact O-N 3.27Å; L67-R70 VanDerWaalsContact O-N 3.08Å; A68-R70 PolarHBondContact O-N 2.78Å; R70-V72 PolarHBondContact O-N 3.07Å; R70-V72 VanDerWaalsContact O-N 3.09Å
71D82.1Confident83Confident127 Ų12765.3 Ų65.368%0.67933%0.33SS*.THydrogen-bonded Turntrans56.223.2178-62.1-47.8000115.2L67 A68L67-D71 PolarHBondContact O-N 3.48Å; A68-D71 PolarHBondContact O-N 2.87Å
72V83Confident81.8Confident12 Ų1265.3 Ų65.37%0.07335%0.348CS..  trans-103.7107.2176.4-177.20000110.4A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.86Å; L40-V72 HydrophobicContact CB-CG1 3.82Å; L40-V72 HydrophobicContact CD1-CG1 3.84Å; L40-V72 HydrophobicContact CG-CG1 4.47Å; R41-V72 HydrophobicContact CG-CG2 3.91Å; L67-V72 CarbonylContact C-O 3.49Å; L67-V72 HydrophobicContact CB-CB 4.21Å; L67-V72 HydrophobicContact CD2-CB 4.43Å; L67-V72 PolarHBondContact O-N 3.04Å; R70-V72 PolarHBondContact O-N 3.07Å; R70-V72 VanDerWaalsContact O-N 3.09Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 3.02Å
73N81Confident80.9Confident123 Ų12363 Ų6366%0.65835%0.346SS*.  trans-74.5114.1177.4-75.1-57000111.3Q98N73-Q98 HydrophobicContact CB-CG 4.46Å
74T89.5Confident80.4Confident10 Ų1062.8 Ų62.86%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-123.6147.9-179.555.60000112.2L52 K64 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.19Å; K64-T74 WeakPolarHBondContact CE-O 3.41Å; K64-T74 WeakPolarHBondContact CG-OG1 3.42Å; L67-T74 HydrophobicContact CB-CG2 4.37Å; L67-T74 HydrophobicContact CD1-CG2 3.8Å; V72-T74 HydrophobicContact CG1-CG2 3.99Å; V72-T74 PolarHBondContact O-N 3.02Å; T74-A99 HydrophobicContact CG2-CB 4.27Å; T74-I101 HydrophobicContact CG2-CD1 4.13Å; T74-I101 HydrophobicContact CG2-CG1 4.46Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.38Å
75I89.5Confident79.8Confident29 Ų2961.2 Ų61.215%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-102.9117.7174.4-171.7163.4000109.5V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CD1-CG1 3.53Å; I75-V87 HydrophobicContact CG1-CG1 4.23Å; I75-I96 HydrophobicContact CD1-CD1 3.94Å; I75-I96 HydrophobicContact CD1-CG2 4.08Å; I75-I96 HydrophobicContact CG2-CG2 4.22Å; I75-Q98 HydrophobicContact CB-CB 4.29Å; I75-Q98 HydrophobicContact CG2-CB 4.07Å; I75-A99 PolarHBondContact N-O 3.46Å; I75-L100 HydrophobicContact CG2-CB 4.36Å; I75-L100 HydrophobicContact CG2-CD1 3.91Å; I75-L100 CarbonylContact O-C 3.58Å; I75-L100 WeakPolarHBondContact O-CA 3.38Å; I75-I101 PolarHBondContact O-N 3.42Å
76L89.4Confident79.4Confident25 Ų2560.6 Ų60.613%0.13135%0.352CS..EExtended strand (participates in β ladder)trans-89.4129.4174.3172.966.4000109.2A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.56Å; E61-L76 HydrophobicContact CB-CD2 4.41Å; E61-L76 HydrophobicContact CG-CD2 3.62Å; K64-L76 HydrophobicContact CD-CB 3.76Å; K64-L76 HydrophobicContact CD-CD2 4.31Å; K64-L76 HydrophobicContact CG-CB 4.35Å; L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.27Å; L76-I101 HydrophobicContact CD1-CB 4.02Å; L76-I101 HydrophobicContact CD1-CG2 3.94Å
77L83.1Confident79.1Confident1 Ų160.5 Ų60.51%0.00535%0.354CS..  trans-86.3106.5173.5-162.971.7000109.6V84 V87 L88 L100 I101 L102 M106L77-V84 HydrophobicContact CD1-CB 4.43Å; L77-V84 HydrophobicContact CD1-CG1 4.14Å; L77-V84 HydrophobicContact CD1-CG2 4.24Å; L77-V84 HydrophobicContact CD2-CG1 4.23Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.3Å; L77-V87 HydrophobicContact CD1-CB 4.25Å; L77-V87 HydrophobicContact CD1-CG1 3.99Å; L77-L88 HydrophobicContact CD1-CD2 4.29Å; L77-L88 HydrophobicContact CD1-CG 3.97Å; L77-L88 HydrophobicContact CD2-CD1 4.07Å; L77-L88 HydrophobicContact CD2-CD2 3.98Å; L77-L88 HydrophobicContact CD2-CG 4.11Å; L77-L100 HydrophobicContact CB-CD1 4.07Å; L77-L100 HydrophobicContact CD1-CD1 4.44Å; L77-I101 PolarHBondContact N-O 3.06Å; L77-L102 HydrophobicContact CB-CB 4.32Å; L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.75Å; L77-M106 HydrophobicContact CG-CE 3.96Å
78P71.4Confident79Confident62 Ų6261.1 Ų61.140%0.40336%0.357SS..  trans-76.9136.5-172.730.9-34.4000111.2L76 H80 G81 V84L76-P78 VanDerWaalsContact O-CD 3.3Å; L76-P78 WeakPolarHBondContact O-CD 3.27Å; P78-H80 PolarHBondContact O-N 3.05Å; P78-G81 PolarHBondContact O-N 3.26Å; P78-V84 VanDerWaalsContact O-CG2 3.28Å; P78-V84 WeakPolarHBondContact O-CG2 3.14Å
79P66.9Low78.8Confident44 Ų4462.9 Ų62.929%0.28636%0.359SS..THydrogen-bonded Turntrans-59.8130.517424.7-33.4000110.9N57 G81 M106N57-P79 HydrophobicContact CB-CG 4.11Å; N57-P79 WeakPolarHBondContact OD1-CD 3.48Å; N57-P79 WeakPolarHBondContact OD1-CG 3.48Å; P79-G81 VanDerWaalsContact C-N 3.26Å; P79-G81 PolarHBondContact O-N 3.13Å; P79-M106 HydrophobicContact CB-SD 4.09Å
80H64.4Low78.7Confident162 Ų16260.8 Ų60.875%0.7535%0.351SS*.THydrogen-bonded Turntrans61.322.3179.4-40.3-61.7000116P78 A82P78-H80 PolarHBondContact O-N 3.05Å; H80-A82 PolarHBondContact O-N 2.9Å
81G64.1Low78.7Confident27 Ų2758.9 Ų58.928%0.27834%0.344SS..  trans-69.3127.6171.600000112.6P78 P79 M83 V84P78-G81 PolarHBondContact O-N 3.26Å; P79-G81 VanDerWaalsContact C-N 3.26Å; P79-G81 PolarHBondContact O-N 3.13Å; G81-M83 PolarHBondContact O-N 3.08Å; G81-V84 WeakPolarHBondContact O-CB 3.34Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å; G81-V84 PolarHBondContact O-N 2.79Å
82A63.5Low78.6Confident106 Ų10654.5 Ų54.588%0.87632%0.323SS*.THydrogen-bonded Turntrans-59.7-10.8176.700000114.9H80H80-A82 PolarHBondContact O-N 2.9Å
83M68.9Low78.5Confident112 Ų11260.4 Ų60.455%0.55235%0.348SS*.THydrogen-bonded Turntrans-103.20.2178.6-53.5-67.5-7900113.1G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.08Å; M83-G85 PolarHBondContact O-N 3.31Å; M83-Q86 WeakPolarHBondContact O-CB 3.39Å; M83-Q86 PolarHBondContact O-N 2.85Å; M83-V87 HydrophobicContact CB-CG2 4.49Å; M83-V87 WeakPolarHBondContact O-CG2 3.36Å; M83-V87 PolarHBondContact O-N 3.08Å
84V79.6Confident78.1Confident12 Ų1256.2 Ų56.27%0.07333%0.333CS..Hα-helixtrans-52.1-50.4-174.9160.60000111.9L77 P78 G81 Q86 V87 L88 M106 H109L77-V84 HydrophobicContact CD1-CB 4.43Å; L77-V84 HydrophobicContact CD1-CG1 4.14Å; L77-V84 HydrophobicContact CD1-CG2 4.24Å; L77-V84 HydrophobicContact CD2-CG1 4.23Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.3Å; P78-V84 VanDerWaalsContact O-CG2 3.28Å; P78-V84 WeakPolarHBondContact O-CG2 3.14Å; G81-V84 WeakPolarHBondContact O-CB 3.34Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å; G81-V84 PolarHBondContact O-N 2.79Å; V84-Q86 VanDerWaalsContact C-N 3.3Å; V84-Q86 PolarHBondContact O-N 3.16Å; V84-V87 PolarHBondContact O-N 2.92Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 WeakPolarHBondContact O-CB 3.24Å; V84-L88 WeakPolarHBondContact O-CG 3.32Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-M106 HydrophobicContact CG1-CE 3.83Å; V84-M106 HydrophobicContact CG2-CE 3.9Å; V84-H109 HydrophobicContact CG1-CB 4.3Å
85G77.9Confident77.6Confident53 Ų5364 Ų6455%0.54636%0.363SS..Hα-helixtrans-63.9-30.9177.900000114M83 L89M83-G85 PolarHBondContact O-N 3.31Å; G85-L89 WeakPolarHBondContact O-CB 3.32Å; G85-L89 PolarHBondContact O-N 3.06Å
86Q80.3Confident77.2Confident110 Ų11064.2 Ų64.251%0.51436%0.364SS..Hα-helixtrans-74.8-40.5175.8-66.1-174.9-200111.8M83 V84 L89 L90M83-Q86 WeakPolarHBondContact O-CB 3.39Å; M83-Q86 PolarHBondContact O-N 2.85Å; V84-Q86 VanDerWaalsContact C-N 3.3Å; V84-Q86 PolarHBondContact O-N 3.16Å; Q86-L89 PolarHBondContact O-N 2.89Å; Q86-L90 WeakPolarHBondContact O-CB 3.22Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.23Å; Q86-L90 PolarHBondContact O-N 2.87Å
87V82.8Confident76.6Confident32 Ų3266.3 Ų66.319%0.19438%0.376CS..Hα-helixtrans-63.4-47.2176.1171.60000110.5I75 L77 M83 V84 L89 L90 W91I75-V87 HydrophobicContact CD1-CG1 3.53Å; I75-V87 HydrophobicContact CG1-CG1 4.23Å; L77-V87 HydrophobicContact CD1-CB 4.25Å; L77-V87 HydrophobicContact CD1-CG1 3.99Å; M83-V87 HydrophobicContact CB-CG2 4.49Å; M83-V87 WeakPolarHBondContact O-CG2 3.36Å; M83-V87 PolarHBondContact O-N 3.08Å; V84-V87 PolarHBondContact O-N 2.92Å; V87-L89 PolarHBondContact O-N 3.21Å; V87-L90 PolarHBondContact O-N 2.85Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.44Å; V87-W91 PolarHBondContact O-N 3.37Å
88L84.9Confident76.8Confident12 Ų1269.9 Ų69.96%0.06339%0.392CS..Hα-helixtrans-61.3-41175.8-74.5170.6000112.4L77 V84 W91 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD2 4.29Å; L77-L88 HydrophobicContact CD1-CG 3.97Å; L77-L88 HydrophobicContact CD2-CD1 4.07Å; L77-L88 HydrophobicContact CD2-CD2 3.98Å; L77-L88 HydrophobicContact CD2-CG 4.11Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 WeakPolarHBondContact O-CB 3.24Å; V84-L88 WeakPolarHBondContact O-CG 3.32Å; V84-L88 PolarHBondContact O-N 3.36Å; L88-W91 PolarHBondContact O-N 2.91Å; L88-S92 VanDerWaalsContact O-CB 3.26Å; L88-S92 WeakPolarHBondContact O-CB 3.42Å; L88-S92 PolarHBondContact O-N 2.97Å; L88-S92 PolarHBondContact O-OG 2.91Å; L88-S92 VanDerWaalsContact O-OG 3.08Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; L88-H109 WeakPolarHBondContact CD1-O 3.15Å; L88-L110 HydrophobicContact CD2-CD2 4.21Å
89L81.4Confident77.6Confident94 Ų9467.5 Ų67.549%0.49238%0.378SS..Hα-helixtrans-66-37.8176.9-177.765000113G85 Q86 V87 S92 K93G85-L89 WeakPolarHBondContact O-CB 3.32Å; G85-L89 PolarHBondContact O-N 3.06Å; Q86-L89 PolarHBondContact O-N 2.89Å; V87-L89 PolarHBondContact O-N 3.21Å; L89-S92 PolarHBondContact O-OG 3.43Å; L89-K93 HydrophobicContact CD1-CD 4.32Å; L89-K93 WeakPolarHBondContact O-CB 3.4Å; L89-K93 WeakPolarHBondContact O-CG 3.45Å; L89-K93 PolarHBondContact O-N 3.01Å
90L81.9Confident78.7Confident81 Ų8165.4 Ų65.442%0.42436%0.364SS..Hα-helixtrans-72.1-39.3177.2-72170.6000111.5Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.22Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.23Å; Q86-L90 PolarHBondContact O-N 2.87Å; V87-L90 PolarHBondContact O-N 2.85Å; L90-G94 PolarHBondContact O-N 2.87Å; L90-Y95 HydrophobicContact CD2-CD2 3.8Å; L90-Y95 HydrophobicContact CD2-CG 4.23Å; L90-Y95 WeakPolarHBondContact O-CB 3.43Å; L90-Y95 PolarHBondContact O-N 3.29Å; L90-I96 HydrophobicContact CB-CD1 3.67Å; L90-I96 HydrophobicContact CB-CG1 4Å
91W87.3Confident80Confident2 Ų257.7 Ų57.71%0.00833%0.328CS..Hα-helixtrans-67.7-47.3176-172.385.5000112.1K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.75Å; K49-W91 HydrophobicContact CB-CZ2 3.83Å; K49-W91 HydrophobicContact CB-CZ3 4.49Å; K49-W91 HydrophobicContact CG-CH2 4.38Å; K49-W91 HydrophobicContact CG-CZ2 4.34Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.35Å; I51-W91 HydrophobicContact CG1-CH2 3.56Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.32Å; V87-W91 VanDerWaalsContact O-CB 3.29Å; V87-W91 WeakPolarHBondContact O-CB 3.44Å; V87-W91 PolarHBondContact O-N 3.37Å; L88-W91 PolarHBondContact O-N 2.91Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 3.22Å; W91-G94 PolarHBondContact O-N 3.5Å; W91-I96 HydrophobicContact CB-CB 4.32Å; W91-I96 VanDerWaalsContact CD1-O 3.27Å; W91-Q98 PolarHBondContact NE1-O 3.48Å; W91-L100 HydrophobicContact CD2-CB 4.27Å; W91-L100 HydrophobicContact CD2-CD2 4.09Å; W91-L100 HydrophobicContact CE3-CD2 4.07Å; W91-L100 HydrophobicContact CH2-CD2 4.46Å; W91-L100 HydrophobicContact CZ2-CB 3.84Å; W91-L100 HydrophobicContact CZ2-CD2 4.47Å; W91-L100 HydrophobicContact CZ3-CD2 4.27Å; W91-V113 HydrophobicContact CZ3-CB 4.31Å; W91-V113 HydrophobicContact CZ3-CG2 4.38Å; W91-A115 HydrophobicContact CH2-CB 4.38Å
92S80.4Confident81.3Confident35 Ų3556.4 Ų56.425%0.24532%0.315CS..Hα-helixtrans-64.4-29.117969.80000113K49 L88 L89K49-S92 PolarHBondContact NZ-O 3.44Å; L88-S92 VanDerWaalsContact O-CB 3.26Å; L88-S92 WeakPolarHBondContact O-CB 3.42Å; L88-S92 PolarHBondContact O-N 2.97Å; L88-S92 PolarHBondContact O-OG 2.91Å; L88-S92 VanDerWaalsContact O-OG 3.08Å; L89-S92 PolarHBondContact O-OG 3.43Å
93K80.3Confident82.6Confident136 Ų13651.8 Ų51.859%0.59128%0.276SS*.THydrogen-bonded Turntrans-83.60.7172.4-71.4-172174.2-169.10115.2L89 W91 Y95L89-K93 HydrophobicContact CD1-CD 4.32Å; L89-K93 WeakPolarHBondContact O-CB 3.4Å; L89-K93 WeakPolarHBondContact O-CG 3.45Å; L89-K93 PolarHBondContact O-N 3.01Å; W91-K93 VanDerWaalsContact C-N 3.25Å; W91-K93 PolarHBondContact O-N 3.22Å; K93-Y95 HydrophobicContact CB-CD2 3.62Å; K93-Y95 HydrophobicContact CB-CE2 3.59Å; K93-Y95 HydrophobicContact CD-CE2 3.94Å; K93-Y95 HydrophobicContact CG-CE2 4.42Å
94G73.4Confident83.5Confident35 Ų3548.2 Ų48.236%0.36126%0.26SS..THydrogen-bonded Turntrans7420.9178.900000114.7L90 W91 I96 N97L90-G94 PolarHBondContact O-N 2.87Å; W91-G94 PolarHBondContact O-N 3.5Å; G94-I96 VanDerWaalsContact C-N 3.3Å; G94-N97 PolarHBondContact O-OD1 2.88Å
95Y77.9Confident83.6Confident173 Ų17350.2 Ų50.268%0.67828%0.283SS*.SBendtrans-82.8-9.9168.5-61-68.9000112.6L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.8Å; L90-Y95 HydrophobicContact CD2-CG 4.23Å; L90-Y95 WeakPolarHBondContact O-CB 3.43Å; L90-Y95 PolarHBondContact O-N 3.29Å; K93-Y95 HydrophobicContact CB-CD2 3.62Å; K93-Y95 HydrophobicContact CB-CE2 3.59Å; K93-Y95 HydrophobicContact CD-CE2 3.94Å; K93-Y95 HydrophobicContact CG-CE2 4.42Å
96I81.4Confident84Confident35 Ų3547.8 Ų47.818%0.17926%0.257CS..  trans-130105177.5-55176000108.5I75 L90 W91 G94 Q98I75-I96 HydrophobicContact CD1-CD1 3.94Å; I75-I96 HydrophobicContact CD1-CG2 4.08Å; I75-I96 HydrophobicContact CG2-CG2 4.22Å; L90-I96 HydrophobicContact CB-CD1 3.67Å; L90-I96 HydrophobicContact CB-CG1 4Å; W91-I96 HydrophobicContact CB-CB 4.32Å; W91-I96 VanDerWaalsContact CD1-O 3.27Å; G94-I96 VanDerWaalsContact C-N 3.3Å; I96-Q98 VanDerWaalsContact C-N 3.27Å; I96-Q98 HydrophobicContact CG2-CB 4.12Å; I96-Q98 HydrophobicContact CG2-CG 4.45Å; I96-Q98 PolarHBondContact O-N 3.08Å
97N77.2Confident84.2Confident69 Ų6942.8 Ų42.837%0.36923%0.234SC..  trans-91.931.8-177.4-670.7000112.5A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.42Å; N46-N97 PolarHBondContact OD1-ND2 3.18Å; G94-N97 PolarHBondContact O-OD1 2.88Å
98Q85.9Confident84.1Confident76 Ų7647.2 Ų47.236%0.35525%0.252SS..SBendtrans-108.1145-179.8-67.6-179-1.100109.7N73 I75 W91 I96 L100N73-Q98 HydrophobicContact CB-CG 4.46Å; I75-Q98 HydrophobicContact CB-CB 4.29Å; I75-Q98 HydrophobicContact CG2-CB 4.07Å; W91-Q98 PolarHBondContact NE1-O 3.48Å; I96-Q98 VanDerWaalsContact C-N 3.27Å; I96-Q98 HydrophobicContact CG2-CB 4.12Å; I96-Q98 HydrophobicContact CG2-CG 4.45Å; I96-Q98 PolarHBondContact O-N 3.08Å; Q98-L100 PolarHBondContact O-N 3.21Å
99A88.3Confident83.7Confident12 Ų1250.2 Ų50.210%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-63.2133.6174.300000110.6L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.89Å; T50-A99 HydrophobicContact CG2-CB 4.38Å; T50-A99 WeakPolarHBondContact O-CA 3.4Å; L52-A99 HydrophobicContact CD1-CB 3.65Å; T74-A99 HydrophobicContact CG2-CB 4.27Å; I75-A99 PolarHBondContact N-O 3.46Å
100L90.7Very high83.5Confident0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-92.1111.1-173.7178.967.6000110.3T50 I51 L52 I75 L77 L88 W91 Q98 L102 L110T50-L100 PolarHBondContact O-N 3.33Å; I51-L100 CarbonylContact C-O 3.59Å; I51-L100 WeakPolarHBondContact CA-O 3.26Å; L52-L100 PolarHBondContact N-O 2.9Å; I75-L100 HydrophobicContact CG2-CB 4.36Å; I75-L100 HydrophobicContact CG2-CD1 3.91Å; I75-L100 CarbonylContact O-C 3.58Å; I75-L100 WeakPolarHBondContact O-CA 3.38Å; L77-L100 HydrophobicContact CB-CD1 4.07Å; L77-L100 HydrophobicContact CD1-CD1 4.44Å; L88-L100 HydrophobicContact CD2-CD2 3.81Å; W91-L100 HydrophobicContact CD2-CB 4.27Å; W91-L100 HydrophobicContact CD2-CD2 4.09Å; W91-L100 HydrophobicContact CE3-CD2 4.07Å; W91-L100 HydrophobicContact CH2-CD2 4.46Å; W91-L100 HydrophobicContact CZ2-CB 3.84Å; W91-L100 HydrophobicContact CZ2-CD2 4.47Å; W91-L100 HydrophobicContact CZ3-CD2 4.27Å; Q98-L100 PolarHBondContact O-N 3.21Å; L100-L102 HydrophobicContact CD2-CD2 4.18Å; L100-L102 HydrophobicContact CG-CD2 4.38Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å
101I92.4Very high83Confident0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-89.5132173.3-51.3173.1000109.7L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.32Å; L52-I101 HydrophobicContact CB-CG1 3.91Å; L52-I101 HydrophobicContact CB-CG2 4.4Å; L52-I101 HydrophobicContact CD1-CD1 4.35Å; L52-I101 HydrophobicContact CD1-CG1 3.6Å; L52-I101 HydrophobicContact CG-CG1 4.39Å; L52-I101 WeakPolarHBondContact O-CA 3.45Å; A60-I101 HydrophobicContact CB-CG2 3.72Å; L63-I101 HydrophobicContact CD2-CD1 4.41Å; L63-I101 HydrophobicContact CD2-CG2 4.17Å; L63-I101 HydrophobicContact CG-CD1 4.31Å; K64-I101 HydrophobicContact CB-CD1 3.82Å; K64-I101 HydrophobicContact CG-CD1 4.19Å; L67-I101 HydrophobicContact CD1-CD1 4.38Å; T74-I101 HydrophobicContact CG2-CD1 4.13Å; T74-I101 HydrophobicContact CG2-CG1 4.46Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.38Å; I75-I101 PolarHBondContact O-N 3.42Å; L76-I101 HydrophobicContact CD1-CB 4.02Å; L76-I101 HydrophobicContact CD1-CG2 3.94Å; L77-I101 PolarHBondContact N-O 3.06Å
102L91.6Very high82.2Confident0 Ų049.8 Ų49.80%028%0.278CS..EExtended strand (participates in β ladder)trans-147.4162.3174.363.289.2000111.7I51 L52 I53 C54 L77 L100 M106 L107 L110I51-L102 HydrophobicContact CG2-CD2 3.7Å; I51-L102 HydrophobicContact CG2-CG 4.13Å; L52-L102 PolarHBondContact O-N 2.63Å; I53-L102 WeakPolarHBondContact CA-O 3.29Å; I53-L102 HydrophobicContact CG1-CD1 4.08Å; I53-L102 HydrophobicContact CG2-CD1 4.26Å; C54-L102 PolarHBondContact N-O 2.76Å; L77-L102 HydrophobicContact CB-CB 4.32Å; L100-L102 HydrophobicContact CD2-CD2 4.18Å; L100-L102 HydrophobicContact CG-CD2 4.38Å; L102-M106 HydrophobicContact CB-CB 4.13Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.33Å; L102-L110 HydrophobicContact CD1-CD1 4.23Å; L102-L110 HydrophobicContact CD2-CD1 3.52Å; L102-L110 HydrophobicContact CD2-CD2 3.91Å; L102-L110 HydrophobicContact CD2-CG 3.87Å
103C91Very high81.9Confident9 Ų948.6 Ų48.66%0.06127%0.27CS..EExtended strand (participates in β ladder)trans-106.8167.4172.161.80000111.8C54 G105 M106C54-C103 CarbonylContact O-C 3.52Å; C54-C103 VanDerWaalsContact O-CA 3.26Å; C54-C103 WeakPolarHBondContact O-CA 3.22Å; C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.24Å; C103-G105 VanDerWaalsContact O-N 3.13Å; C103-M106 WeakPolarHBondContact O-CB 3.25Å; C103-M106 PolarHBondContact O-N 3.37Å
104D86.5Confident81.5Confident37 Ų3749.3 Ų49.320%0.19828%0.275CS..G310 helixtrans-50.8-40.8-178.4-75.8-36.7000113.9C54 Q55 M106 L107 R132C54-D104 PolarHBondContact O-N 3.41Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.32Å; D104-M106 PolarHBondContact O-N 3.26Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.25Å; D104-L107 WeakPolarHBondContact O-CG 3.38Å; D104-L107 PolarHBondContact O-N 2.7Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.44Å; D104-R132 IonicContact OD1-CZ 3.47Å; D104-R132 IonicContact OD1-NE 3.29Å; D104-R132 PolarHBondContact OD1-NE 2.93Å; D104-R132 IonicContact OD1-NH2 3.1Å; D104-R132 PolarHBondContact OD1-NH2 3.13Å; D104-R132 IonicContact OD2-CZ 2.69Å; D104-R132 IonicContact OD2-NE 2.71Å; D104-R132 IonicContact OD2-NH2 3.48Å; D104-R132 PolarHBondContact OD2-NH2 3.28Å
105G83.1Confident81.8Confident54 Ų5447.9 Ų47.956%0.55726%0.26SS*.G310 helixtrans-63.5-2.9176.300000115.7C103C103-G105 VanDerWaalsContact C-N 3.25Å; C103-G105 PolarHBondContact O-N 3.24Å; C103-G105 VanDerWaalsContact O-N 3.13Å
106M86.1Confident82.1Confident1 Ų143.2 Ų43.21%0.00525%0.247CC..G310 helixtrans-108.8-1.8175.3-62.5-55.8-68.400113.3L77 P79 V84 L102 C103 D104 E108 H109 L110L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.75Å; L77-M106 HydrophobicContact CG-CE 3.96Å; P79-M106 HydrophobicContact CB-SD 4.09Å; V84-M106 HydrophobicContact CG1-CE 3.83Å; V84-M106 HydrophobicContact CG2-CE 3.9Å; L102-M106 HydrophobicContact CB-CB 4.13Å; C103-M106 WeakPolarHBondContact O-CB 3.25Å; C103-M106 PolarHBondContact O-N 3.37Å; D104-M106 PolarHBondContact O-N 3.26Å; M106-E108 VanDerWaalsContact C-N 3.34Å; M106-E108 PolarHBondContact O-N 3.1Å; M106-H109 HydrophobicContact CE-CB 4.15Å; M106-H109 WeakPolarHBondContact O-CB 3.35Å; M106-H109 PolarHBondContact O-N 2.86Å; M106-L110 PolarHBondContact O-N 3.27Å
107L84.3Confident82.3Confident6 Ų641.6 Ų41.63%0.03124%0.238CC..G310 helixtrans-63.3-38.1-179.1-67.8168.7000112.6I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.14Å; L102-L107 HydrophobicContact CD1-CD2 3.79Å; L102-L107 HydrophobicContact CD1-CG 4.33Å; D104-L107 HydrophobicContact CB-CD1 4.25Å; D104-L107 WeakPolarHBondContact O-CB 3.25Å; D104-L107 WeakPolarHBondContact O-CG 3.38Å; D104-L107 PolarHBondContact O-N 2.7Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.44Å; L107-H109 PolarHBondContact O-N 3.17Å; L107-L110 HydrophobicContact CD2-CD1 3.87Å; L107-L110 PolarHBondContact O-N 3.19Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; L107-W135 HydrophobicContact CB-CB 4.02Å; L107-W135 HydrophobicContact CB-CG 4.11Å; L107-L136 HydrophobicContact CD2-CD2 4.44Å
108E79.8Confident82.8Confident124 Ų12438.3 Ų38.358%0.57922%0.22SC*.G310 helixtrans-62.1-24.4174.570.1-178.8-179.400113.1M106 W135M106-E108 VanDerWaalsContact C-N 3.34Å; M106-E108 PolarHBondContact O-N 3.1Å; E108-W135 HydrophobicContact CB-CH2 3.93Å; E108-W135 HydrophobicContact CB-CZ2 4.01Å; E108-W135 HydrophobicContact CB-CZ3 4.29Å
109H77.6Confident83.1Confident75 Ų7534.7 Ų34.735%0.34720%0.204SC..G310 helixtrans-86.4-16.5-176.8-6980.8000113.2V84 L88 M106 L107 G111V84-H109 HydrophobicContact CG1-CB 4.3Å; L88-H109 WeakPolarHBondContact CD1-O 3.15Å; M106-H109 HydrophobicContact CE-CB 4.15Å; M106-H109 WeakPolarHBondContact O-CB 3.35Å; M106-H109 PolarHBondContact O-N 2.86Å; L107-H109 PolarHBondContact O-N 3.17Å; H109-G111 VanDerWaalsContact C-N 3.26Å; H109-G111 PolarHBondContact O-N 3.26Å
110L76.8Confident83.2Confident7 Ų734.1 Ų34.14%0.03720%0.199CC..  trans-60.7-32.9-177.7-91.7152000112.9I51 L88 L100 L102 M106 L107 V113I51-L110 HydrophobicContact CD1-CD2 3.89Å; L88-L110 HydrophobicContact CD2-CD2 4.21Å; L100-L110 HydrophobicContact CD2-CD2 4.26Å; L102-L110 HydrophobicContact CD1-CD1 4.23Å; L102-L110 HydrophobicContact CD2-CD1 3.52Å; L102-L110 HydrophobicContact CD2-CD2 3.91Å; L102-L110 HydrophobicContact CD2-CG 3.87Å; M106-L110 PolarHBondContact O-N 3.27Å; L107-L110 HydrophobicContact CD2-CD1 3.87Å; L107-L110 PolarHBondContact O-N 3.19Å; L110-V113 HydrophobicContact CD2-CG2 3.75Å; L110-V113 WeakPolarHBondContact O-CG1 3.26Å
111G72Confident83.1Confident40 Ų4035.2 Ų35.241%0.41221%0.206SC..  trans62.9-146.4-172.400000111.2H109 S139H109-G111 VanDerWaalsContact C-N 3.26Å; H109-G111 PolarHBondContact O-N 3.26Å; G111-S139 WeakPolarHBondContact O-CA 3.41Å; G111-S139 WeakPolarHBondContact O-CB 3.29Å; G111-S139 PolarHBondContact O-OG 3.12Å
112V68.9Low82.7Confident122 Ų12237 Ų3774%0.73922%0.216SC*.SBendtrans-97.3115.3171.8-178.50000108.6
113V74.4Confident82.2Confident10 Ų1040.2 Ų40.26%0.06123%0.234CC..  trans-130.1142.8176.3-68.60000111.4I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.23Å; W91-V113 HydrophobicContact CZ3-CB 4.31Å; W91-V113 HydrophobicContact CZ3-CG2 4.38Å; L110-V113 HydrophobicContact CD2-CG2 3.75Å; L110-V113 WeakPolarHBondContact O-CG1 3.26Å; V113-A115 PolarHBondContact O-N 3.04Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 WeakPolarHBondContact CG2-O 3.4Å; V113-S139 PolarHBondContact N-O 3.42Å
114E72.3Confident81.7Confident150 Ų15040.5 Ų40.570%0.70124%0.235SC*.  trans-80.7113.3167.6-68.2176.5160.700108.3K49K49-E114 WeakPolarHBondContact CD-O 3.44Å
115A80.5Confident81.3Confident5 Ų545 Ų454%0.04126%0.255CS..  trans-119.9136.8170.400000108.6I51 W91 V113 V118 A140 A143I51-A115 HydrophobicContact CD1-CB 3.65Å; I51-A115 HydrophobicContact CG1-CB 3.95Å; W91-A115 HydrophobicContact CH2-CB 4.38Å; V113-A115 PolarHBondContact O-N 3.04Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; A115-A140 HydrophobicContact CB-CB 4.2Å; A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.42Å
116N82.6Confident80.9Confident76 Ų7648 Ų4841%0.40626%0.257SS..SBendtrans-87.3-34.3179.8-58.992.7000111.3E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.12Å; E48-N116 HydrophobicContact CG-CB 4.24Å; K49-N116 PolarHBondContact N-OD1 3.49Å; K49-N116 PolarHBondContact O-N 3.09Å; N116-E144 PolarHBondContact O-N 2.99Å
117L85.6Confident80.3Confident0 Ų053.7 Ų53.70%029%0.288CS..EExtended strand (participates in β ladder)trans-138131.1-177-179.566.5000109.8T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.48Å; K49-L117 PolarHBondContact O-N 3.34Å; T50-L117 CarbonylContact C-O 3.53Å; T50-L117 WeakPolarHBondContact CA-O 3.34Å; T50-L117 HydrophobicContact CG2-CB 4.19Å; T50-L117 HydrophobicContact CG2-CD2 3.93Å; T50-L117 HydrophobicContact CG2-CG 4.13Å; I51-L117 PolarHBondContact N-O 3.32Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.81Å; L117-I119 HydrophobicContact CD2-CG1 3.9Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; L117-E144 WeakPolarHBondContact CA-O 3.41Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.14Å; L117-L146 HydrophobicContact CD1-CB 4.11Å
118V89.3Confident80Confident0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-117.7120.3170.4175.90000107.9I51 I53 A115 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.35Å; I51-V118 WeakPolarHBondContact O-CA 3.26Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.15Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; V118-L136 HydrophobicContact CG1-CD1 4.05Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.42Å; V118-A140 HydrophobicContact CG2-CB 4.23Å; V118-A143 HydrophobicContact CG2-CB 3.83Å; V118-E144 PolarHBondContact N-O 3.42Å; V118-M145 HydrophobicContact CB-CE 4.4Å; V118-M145 HydrophobicContact CB-SD 3.65Å; V118-M145 HydrophobicContact CG1-SD 3.96Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.25Å; V118-L146 PolarHBondContact O-N 3.25Å
119I90.9Very high80.1Confident0 Ų053.1 Ų53.10%028%0.283CS..EExtended strand (participates in β ladder)trans-108113.8-179.9-48.2-178000108.9L36 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.65Å; L36-I119 HydrophobicContact CD1-CG2 3.91Å; L40-I119 HydrophobicContact CD2-CD1 4.27Å; T50-I119 HydrophobicContact CG2-CD1 3.89Å; T50-I119 HydrophobicContact CG2-CG1 4.09Å; I51-I119 PolarHBondContact O-N 3.18Å; L52-I119 HydrophobicContact CD2-CB 4.01Å; L52-I119 HydrophobicContact CD2-CD1 4.03Å; L52-I119 HydrophobicContact CD2-CG1 4.45Å; L52-I119 HydrophobicContact CD2-CG2 4.38Å; I53-I119 PolarHBondContact N-O 3.15Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.81Å; L117-I119 HydrophobicContact CD2-CG1 3.9Å; L117-I119 HydrophobicContact CG-CD1 4.31Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 3Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.33Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.11Å; I119-L146 HydrophobicContact CG2-CG 4.23Å; I119-I148 HydrophobicContact CG2-CD1 4.04Å; I119-I148 HydrophobicContact CG2-CG1 4.27Å
120H91.3Very high80.3Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-82103.1169.1-57.8-74.6000108.7R132 L146 V147 I148H120-R132 WeakPolarHBondContact ND1-CD 3.16Å; H120-R132 PolarHBondContact ND1-NH1 3.3Å; H120-L146 PolarHBondContact N-O 3.06Å; H120-V147 HydrophobicContact CB-CG2 4.31Å; H120-I148 PolarHBondContact O-N 3.02Å
121T87.2Confident80.4Confident23 Ų2360.6 Ų60.614%0.14132%0.318CS..SBendtrans-84-17.9179.959.60000112.9L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD2-CG2 3.99Å; L52-T121 HydrophobicContact CD2-CG2 3.93Å; I53-T121 PolarHBondContact O-N 2.79Å; I53-T121 PolarHBondContact O-OG1 3.07Å; I53-T121 VanDerWaalsContact O-OG1 3.08Å; C54-T121 PolarHBondContact SG-OG1 3.31Å; L63-T121 HydrophobicContact CD2-CG2 3.73Å; I119-T121 HydrophobicContact CG2-CG2 4.12Å; I119-T121 PolarHBondContact O-N 3Å
122T84.8Confident81.2Confident37 Ų3758.8 Ų58.823%0.22730%0.299CS..SBendtrans-143.2136.6173.555.90000109.4C54 Q55 R132C54-T122 WeakPolarHBondContact CA-OG1 3.3Å; Q55-T122 PolarHBondContact N-OG1 2.82Å; T122-R132 PolarHBondContact O-NH1 2.82Å
123L81.8Confident81.9Confident69 Ų6955.1 Ų55.136%0.36128%0.275SS..PPolyproline II helixtrans-97.2125.3177.4-74.4174.2000111.2F129 V147 T149L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.62Å; L123-F129 HydrophobicContact CD2-CZ 4.07Å; L123-V147 HydrophobicContact CD1-CG1 3.69Å; L123-V147 HydrophobicContact CD2-CG1 3.68Å; L123-V147 HydrophobicContact CG-CG1 3.84Å; L123-T149 HydrophobicContact CD1-CG2 4.13Å
124P79.4Confident82.3Confident14 Ų1461.6 Ų61.69%0.09130%0.302CS..PPolyproline II helixtrans-84.4171.6169.637.4-35000110.8Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.23Å; P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.16Å; P124-F129 HydrophobicContact CG-CB 4.03Å; P124-F129 HydrophobicContact CG-CD2 4.35Å
125E77.9Confident82.7Confident131 Ų13159.7 Ų59.761%0.61229%0.289SS*.PPolyproline II helixtrans-50.8148.6170.8-62.2162.6158.700112.1N127 K128 F129E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.15Å; E125-N127 VanDerWaalsContact O-N 3.12Å; E125-K128 PolarHBondContact O-N 3.2Å; E125-K128 IonicContact OE2-NZ 2.66Å; E125-K128 PolarHBondContact OE2-NZ 2.86Å; E125-F129 PolarHBondContact O-N 3.02Å
126L74.7Confident82.8Confident117 Ų11759.5 Ų59.561%0.61329%0.287SS*.Hα-helixtrans-46.6-49.6-171.3-172.966.7000113.7K128 F129 E130L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.04Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.37Å; L126-F129 WeakPolarHBondContact O-CB 3.38Å; L126-F129 PolarHBondContact O-N 3.4Å; L126-E130 WeakPolarHBondContact O-CG 3.35Å; L126-E130 PolarHBondContact O-N 3.41Å
127N73.9Confident82.4Confident122 Ų12259.4 Ų59.465%0.65229%0.293SS*.Hα-helixtrans-59.1-41-179.6-59.8-8.5000112.7E125 E130 E131E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.15Å; E125-N127 VanDerWaalsContact O-N 3.12Å; N127-E130 PolarHBondContact O-N 2.93Å; N127-E131 WeakPolarHBondContact O-CG 3.27Å; N127-E131 PolarHBondContact O-N 3.32Å; N127-E131 VanDerWaalsContact O-N 3.09Å
128K77.4Confident81.8Confident94 Ų9463.3 Ų63.341%0.40931%0.313SS..Hα-helixtrans-75-29.6176.7-71.4172.4-174.3139.50111.7P124 E125 L126 R132P124-K128 HydrophobicContact CB-CB 3.91Å; P124-K128 HydrophobicContact CG-CB 4.16Å; E125-K128 PolarHBondContact O-N 3.2Å; E125-K128 IonicContact OE2-NZ 2.66Å; E125-K128 PolarHBondContact OE2-NZ 2.86Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.04Å; K128-R132 WeakPolarHBondContact O-CB 3.07Å; K128-R132 PolarHBondContact O-N 2.88Å
129F83.1Confident80.8Confident23 Ų2363.4 Ų63.410%0.10131%0.313CS..Hα-helixtrans-68.4-40.2172.8-170.4-116.8000111.1F21 L123 P124 E125 L126 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.37Å; L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.62Å; L123-F129 HydrophobicContact CD2-CZ 4.07Å; P124-F129 HydrophobicContact CG-CB 4.03Å; P124-F129 HydrophobicContact CG-CD2 4.35Å; E125-F129 PolarHBondContact O-N 3.02Å; L126-F129 CarbonylContact O-C 3.58Å; L126-F129 WeakPolarHBondContact O-CA 3.37Å; L126-F129 WeakPolarHBondContact O-CB 3.38Å; L126-F129 PolarHBondContact O-N 3.4Å; F129-R132 WeakPolarHBondContact O-CB 3.39Å; F129-R132 PolarHBondContact O-N 2.98Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.43Å; F129-L133 HydrophobicContact CE1-CD1 3.71Å; F129-L133 HydrophobicContact CE1-CG 4.19Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.27Å; F129-L133 WeakPolarHBondContact O-CG 3.19Å; F129-L133 PolarHBondContact O-N 3.34Å
130E80.3Confident79.6Confident114 Ų11463.6 Ų63.653%0.53332%0.315SS..Hα-helixtrans-62.6-42.9172.1-71.4-179.3-178.600112.2L126 N127 R132 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.35Å; L126-E130 PolarHBondContact O-N 3.41Å; N127-E130 PolarHBondContact O-N 2.93Å; E130-R132 PolarHBondContact O-N 3.22Å; E130-L133 PolarHBondContact O-N 2.83Å; E130-K134 WeakPolarHBondContact O-CB 3.33Å; E130-K134 PolarHBondContact O-N 3.19Å
131E80.4Confident78.3Confident125 Ų12572.7 Ų72.758%0.58435%0.349SS*.Hα-helixtrans-59.7-44.5171.6-73.9-177.5161.900112.1N127 L133 K134 W135N127-E131 WeakPolarHBondContact O-CG 3.27Å; N127-E131 PolarHBondContact O-N 3.32Å; N127-E131 VanDerWaalsContact O-N 3.09Å; E131-L133 PolarHBondContact O-N 2.74Å; E131-K134 WeakPolarHBondContact O-CB 3.43Å; E131-K134 PolarHBondContact O-N 3.17Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.34Å
132R88.4Confident77.3Confident2 Ų279.8 Ų79.81%0.00839%0.386CS..Hα-helixtrans-58.5-46.3174.8174-170.1-68.2-172.6-6.5111.4D104 L107 H120 T122 K128 F129 E130 K134 W135 L136D104-R132 IonicContact OD1-CZ 3.47Å; D104-R132 IonicContact OD1-NE 3.29Å; D104-R132 PolarHBondContact OD1-NE 2.93Å; D104-R132 IonicContact OD1-NH2 3.1Å; D104-R132 PolarHBondContact OD1-NH2 3.13Å; D104-R132 IonicContact OD2-CZ 2.69Å; D104-R132 IonicContact OD2-NE 2.71Å; D104-R132 IonicContact OD2-NH2 3.48Å; D104-R132 PolarHBondContact OD2-NH2 3.28Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.78Å; H120-R132 WeakPolarHBondContact ND1-CD 3.16Å; H120-R132 PolarHBondContact ND1-NH1 3.3Å; T122-R132 PolarHBondContact O-NH1 2.82Å; K128-R132 WeakPolarHBondContact O-CB 3.07Å; K128-R132 PolarHBondContact O-N 2.88Å; F129-R132 WeakPolarHBondContact O-CB 3.39Å; F129-R132 PolarHBondContact O-N 2.98Å; E130-R132 PolarHBondContact O-N 3.22Å; R132-K134 VanDerWaalsContact C-N 3.35Å; R132-W135 PolarHBondContact O-N 2.84Å; R132-L136 HydrophobicContact CG-CD1 4.02Å; R132-L136 WeakPolarHBondContact O-CG 3.27Å; R132-L136 PolarHBondContact O-N 3.25Å
133L84Confident77Confident46 Ų4678.3 Ų78.324%0.24138%0.378CS..Hα-helixtrans-65.2-37.2177.4-70-177.5000112.2F21 F129 E130 E131 L136 S137F21-L133 HydrophobicContact CE1-CD2 3.73Å; F21-L133 HydrophobicContact CZ-CD1 4.01Å; F21-L133 HydrophobicContact CZ-CD2 3.64Å; F21-L133 HydrophobicContact CZ-CG 4.5Å; F129-L133 HydrophobicContact CD1-CD1 4.04Å; F129-L133 HydrophobicContact CD1-CG 4.43Å; F129-L133 HydrophobicContact CE1-CD1 3.71Å; F129-L133 HydrophobicContact CE1-CG 4.19Å; F129-L133 HydrophobicContact CZ-CD1 4.19Å; F129-L133 HydrophobicContact CZ-CD2 4.19Å; F129-L133 HydrophobicContact CZ-CG 4.27Å; F129-L133 WeakPolarHBondContact O-CG 3.19Å; F129-L133 PolarHBondContact O-N 3.34Å; E130-L133 PolarHBondContact O-N 2.83Å; E131-L133 PolarHBondContact O-N 2.74Å; L133-L136 PolarHBondContact O-N 2.92Å; L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 2.81Å
134K81.4Confident77Confident145 Ų14578 Ų7863%0.6337%0.374SS*.Hα-helixtrans-60.1-47.1174.2-174.7178.4179.5179.80111.2E130 E131 R132 S137 I138E130-K134 WeakPolarHBondContact O-CB 3.33Å; E130-K134 PolarHBondContact O-N 3.19Å; E131-K134 WeakPolarHBondContact O-CB 3.43Å; E131-K134 PolarHBondContact O-N 3.17Å; R132-K134 VanDerWaalsContact C-N 3.35Å; K134-S137 PolarHBondContact O-N 3.24Å; K134-S137 PolarHBondContact O-OG 2.68Å; K134-I138 PolarHBondContact O-N 3.39Å
135W82.1Confident77.4Confident110 Ų11077.7 Ų77.742%0.41737%0.372SS..Hα-helixtrans-61.3-46.1173.8-76.2111.1000112.3L107 E108 E131 R132 S137 I138 S139L107-W135 HydrophobicContact CB-CB 4.02Å; L107-W135 HydrophobicContact CB-CG 4.11Å; E108-W135 HydrophobicContact CB-CH2 3.93Å; E108-W135 HydrophobicContact CB-CZ2 4.01Å; E108-W135 HydrophobicContact CB-CZ3 4.29Å; E131-W135 VanDerWaalsContact O-CD1 3.22Å; E131-W135 PolarHBondContact O-N 3.34Å; R132-W135 PolarHBondContact O-N 2.84Å; W135-S137 VanDerWaalsContact C-N 3.32Å; W135-S137 PolarHBondContact O-N 3.19Å; W135-I138 WeakPolarHBondContact O-CB 3.49Å; W135-I138 PolarHBondContact O-N 3.11Å; W135-I138 VanDerWaalsContact O-N 3.11Å; W135-S139 VanDerWaalsContact O-CB 3.27Å; W135-S139 WeakPolarHBondContact O-CB 3.45Å; W135-S139 PolarHBondContact O-N 3.22Å; W135-S139 PolarHBondContact O-OG 3.27Å
136L82Confident77.8Confident2 Ų272.1 Ų72.11%0.0135%0.346CS..Hα-helixtrans-63.9-32.5178.4-71170.6000113.6I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.76Å; I53-L136 HydrophobicContact CD1-CD2 3.91Å; I53-L136 HydrophobicContact CD1-CG 4.31Å; L107-L136 HydrophobicContact CD2-CD2 4.44Å; V118-L136 HydrophobicContact CG1-CD1 4.05Å; V118-L136 HydrophobicContact CG1-CD2 4.36Å; V118-L136 HydrophobicContact CG2-CD2 4.42Å; R132-L136 HydrophobicContact CG-CD1 4.02Å; R132-L136 WeakPolarHBondContact O-CG 3.27Å; R132-L136 PolarHBondContact O-N 3.25Å; L133-L136 PolarHBondContact O-N 2.92Å; L136-I138 PolarHBondContact O-N 2.99Å; L136-S139 PolarHBondContact O-N 3.3Å; L136-A140 HydrophobicContact CD2-CB 4.15Å; L136-A140 CarbonylContact O-C 3.6Å; L136-A140 WeakPolarHBondContact O-CA 3.28Å; L136-A140 PolarHBondContact O-N 3.38Å; L136-M145 HydrophobicContact CB-CE 4.42Å; L136-M145 HydrophobicContact CD1-SD 4.5Å
137S75.2Confident78.5Confident74 Ų7466.5 Ų66.552%0.51732%0.317SS..Hα-helixtrans-64.7-27.717577.20000113.2L133 K134 W135L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 2.81Å; K134-S137 PolarHBondContact O-N 3.24Å; K134-S137 PolarHBondContact O-OG 2.68Å; W135-S137 VanDerWaalsContact C-N 3.32Å; W135-S137 PolarHBondContact O-N 3.19Å
138I71.9Confident79.1Confident82 Ų8261 Ų6142%0.42129%0.288SS..Hα-helixtrans-82.9-42.8172.9-60.4166.2000109.6K134 W135 L136K134-I138 PolarHBondContact O-N 3.39Å; W135-I138 WeakPolarHBondContact O-CB 3.49Å; W135-I138 PolarHBondContact O-N 3.11Å; W135-I138 VanDerWaalsContact O-N 3.11Å; L136-I138 PolarHBondContact O-N 2.99Å
139S68.3Low79.1Confident2 Ų258.1 Ų58.11%0.01428%0.278CS..Hα-helixtrans-95-23.4-163.5-66.10000116.6G111 V113 W135 L136G111-S139 WeakPolarHBondContact O-CA 3.41Å; G111-S139 WeakPolarHBondContact O-CB 3.29Å; G111-S139 PolarHBondContact O-OG 3.12Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 WeakPolarHBondContact CG2-O 3.4Å; V113-S139 PolarHBondContact N-O 3.42Å; W135-S139 VanDerWaalsContact O-CB 3.27Å; W135-S139 WeakPolarHBondContact O-CB 3.45Å; W135-S139 PolarHBondContact O-N 3.22Å; W135-S139 PolarHBondContact O-OG 3.27Å; L136-S139 PolarHBondContact O-N 3.3Å
140A66.2Low77.9Confident4 Ų460.1 Ų60.13%0.03329%0.293CS..SBendtrans-144.663.9-170.300000111A115 V118 L136 A143A115-A140 HydrophobicContact CB-CB 4.2Å; V118-A140 HydrophobicContact CG2-CB 4.23Å; L136-A140 HydrophobicContact CD2-CB 4.15Å; L136-A140 CarbonylContact O-C 3.6Å; L136-A140 WeakPolarHBondContact O-CA 3.28Å; L136-A140 PolarHBondContact O-N 3.38Å; A140-A143 HydrophobicContact CB-CB 4.45Å
141R64.2Low76.4Confident191 Ų19158 Ų5872%0.72129%0.29SS*.THydrogen-bonded Turntrans-63.3136.1-177.5-68.4-174.9177-169.4-0.3111.7A143R141-A143 PolarHBondContact O-N 2.99Å
142N66.3Low74.7Confident171 Ų17157 Ų5791%0.91429%0.289SS*.THydrogen-bonded Turntrans62.416.9176.4-52-18.9000115.8
143A77.4Confident72.3Confident7 Ų762.7 Ų62.76%0.05832%0.316CS..PPolyproline II helixtrans-67.3142.4172.800000111.8A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.28Å; A115-A143 WeakPolarHBondContact O-CB 3.42Å; V118-A143 HydrophobicContact CG2-CB 3.83Å; A140-A143 HydrophobicContact CB-CB 4.45Å; R141-A143 PolarHBondContact O-N 2.99Å; A143-M145 HydrophobicContact CB-CE 4.25Å
144E82.8Confident69.9Low61 Ų6168.1 Ų68.129%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-66.9132.5163.9-176.2173.8-153.900108.8K13 R43 N116 L117 V118K13-E144 IonicContact NZ-OE1 3.45Å; K13-E144 PolarHBondContact NZ-OE1 2.97Å; R43-E144 IonicContact CZ-OE2 2.1Å; R43-E144 IonicContact NH1-OE2 3.51Å; R43-E144 IonicContact NH2-OE2 2.55Å; R43-E144 PolarHBondContact NH2-OE2 3.28Å; N116-E144 PolarHBondContact O-N 2.99Å; L117-E144 WeakPolarHBondContact CA-O 3.41Å; L117-E144 HydrophobicContact CD1-CB 4.02Å; L117-E144 HydrophobicContact CD1-CG 4.14Å; V118-E144 PolarHBondContact N-O 3.42Å
145M86.8Confident67.4Low9 Ų967.6 Ų67.64%0.04434%0.344CS..EExtended strand (participates in β ladder)trans-101.8119.5177.7-60.2-72.4168.600109.1T19 T20 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.25Å; T19-M145 HydrophobicContact CG2-CG 3.45Å; T19-M145 VanDerWaalsContact CG2-CG 3.45Å; T20-M145 PolarHBondContact O-N 3.14Å; F21-M145 CarbonylContact C-O 3.52Å; F21-M145 WeakPolarHBondContact CA-O 3.29Å; F21-M145 HydrophobicContact CD1-CB 3.36Å; F21-M145 HydrophobicContact CD1-CG 3.95Å; F21-M145 HydrophobicContact CE1-CB 3.58Å; F21-M145 HydrophobicContact CE1-CG 3.63Å; F21-M145 HydrophobicContact CE1-SD 4.38Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.4Å; F21-M145 HydrophobicContact CZ-CG 4.09Å; T22-M145 PolarHBondContact N-O 3.21Å; V118-M145 HydrophobicContact CB-CE 4.4Å; V118-M145 HydrophobicContact CB-SD 3.65Å; V118-M145 HydrophobicContact CG1-SD 3.96Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.25Å; L136-M145 HydrophobicContact CB-CE 4.42Å; L136-M145 HydrophobicContact CD1-SD 4.5Å; A143-M145 HydrophobicContact CB-CE 4.25Å
146L87.6Confident65Low13 Ų1371.9 Ų71.97%0.06837%0.369CS..EExtended strand (participates in β ladder)trans-109127.4171.4177.963.3000108.6T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.52Å; T22-L146 WeakPolarHBondContact O-CA 3.47Å; T22-L146 WeakPolarHBondContact O-CD1 3.38Å; A24-L146 HydrophobicContact CB-CD1 4.14Å; F35-L146 HydrophobicContact CE1-CD2 4.3Å; T39-L146 HydrophobicContact CG2-CD2 4.31Å; L117-L146 HydrophobicContact CD1-CB 4.11Å; V118-L146 PolarHBondContact O-N 3.25Å; I119-L146 CarbonylContact C-O 3.56Å; I119-L146 VanDerWaalsContact CA-O 3.3Å; I119-L146 WeakPolarHBondContact CA-O 3.33Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.16Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.11Å; I119-L146 HydrophobicContact CG2-CG 4.23Å; H120-L146 PolarHBondContact N-O 3.06Å
147V88.1Confident62.7Low0 Ų081.1 Ų81.10%041%0.409CS..EExtended strand (participates in β ladder)trans-114.3118.8176.91800000108.3F21 T22 Y23 A24 H120 L123 T149F21-V147 HydrophobicContact CD1-CG2 4.08Å; T22-V147 PolarHBondContact O-N 3.18Å; Y23-V147 WeakPolarHBondContact CA-O 3.43Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.65Å; Y23-V147 HydrophobicContact CD1-CG2 4.28Å; Y23-V147 HydrophobicContact CE1-CB 3.77Å; Y23-V147 HydrophobicContact CE1-CG1 3.61Å; Y23-V147 HydrophobicContact CE1-CG2 3.94Å; Y23-V147 HydrophobicContact CG-CB 4.22Å; A24-V147 PolarHBondContact N-O 3.22Å; H120-V147 HydrophobicContact CB-CG2 4.31Å; L123-V147 HydrophobicContact CD1-CG1 3.69Å; L123-V147 HydrophobicContact CD2-CG1 3.68Å; L123-V147 HydrophobicContact CG-CG1 3.84Å; V147-T149 HydrophobicContact CG1-CG2 4.38Å
148I86.8Confident60.7Low6 Ų686.9 Ų86.93%0.03143%0.427CS..EExtended strand (participates in β ladder)trans-91.9105.2170.9-61.1179.2000107P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.08Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.48Å; L36-I148 HydrophobicContact CB-CD1 4.24Å; L36-I148 HydrophobicContact CD1-CD1 3.93Å; I119-I148 HydrophobicContact CG2-CD1 4.04Å; I119-I148 HydrophobicContact CG2-CG1 4.27Å; H120-I148 PolarHBondContact O-N 3.02Å
149T77.1Confident58.6Low33 Ų3386.6 Ų86.620%0.20244%0.444CS..  trans-78.4119.8167.951.30000107.7Y23 A24 S25 L123 V147 C151Y23-T149 HydrophobicContact CD1-CG2 4.04Å; A24-T149 PolarHBondContact O-N 2.74Å; A24-T149 PolarHBondContact O-OG1 2.97Å; A24-T149 VanDerWaalsContact O-OG1 3.09Å; S25-T149 PolarHBondContact OG-OG1 3.14Å; L123-T149 HydrophobicContact CD1-CG2 4.13Å; V147-T149 HydrophobicContact CG1-CG2 4.38Å; T149-C151 PolarHBondContact O-N 3.36Å
150P58.7Low56.6Low66 Ų6696.1 Ų96.143%0.42949%0.485SS..  trans-59.4138.116727.5-32.8000108.5D152P150-D152 VanDerWaalsContact C-N 3.29Å; P150-D152 PolarHBondContact O-N 2.66Å
151C49.7Very low54.8Low70 Ų7099.4 Ų99.447%0.47352%0.52SS..  trans-77.990.1166.5-162.70000107.1P26 T149 E153P26-C151 VanDerWaalsContact O-CB 3.3Å; P26-C151 WeakPolarHBondContact O-CB 3.39Å; T149-C151 PolarHBondContact O-N 3.36Å; C151-E153 PolarHBondContact O-N 3.1Å
152D43.3Very low53.2Low103 Ų10398.8 Ų98.855%0.55153%0.525SS*.  trans-69114.6167.6-63-40.2000107.5P150 E154 N155P150-D152 VanDerWaalsContact C-N 3.29Å; P150-D152 PolarHBondContact O-N 2.66Å; D152-E154 PolarHBondContact O-N 2.98Å; D152-N155 PolarHBondContact O-N 3.15Å
153E38.3Very low51.2Low122 Ų12297.3 Ų97.357%0.5752%0.523SS*.THydrogen-bonded Turntrans-66.88.4-173.2-59.5-176.3164.500114.3C151 S910C151-E153 PolarHBondContact O-N 3.1Å; E153-S910 VanDerWaalsContact CD-CB 3.42Å; E153-S910 VanDerWaalsContact OE1-CB 3.24Å; E153-S910 WeakPolarHBondContact OE1-CB 3.33Å; E153-S910 PolarHBondContact OE1-OG 2.89Å; E153-S910 VanDerWaalsContact OE2-CB 3.27Å; E153-S910 WeakPolarHBondContact OE2-CB 3.48Å; E153-S910 PolarHBondContact OE2-OG 2.65Å
154E34.5Very low48.7Very low160 Ų160105.7 Ų105.775%0.74856%0.561SS**THydrogen-bonded Turntrans-100.2-14.1-178-60.6-162.2131.100114D152D152-E154 PolarHBondContact O-N 2.98Å
155N28.6Very low46.3Very low134 Ų134107.9 Ų107.972%0.71758%0.58SS**G310 helixtrans-91.92.5-171.4-81.1-30.1000116.9D152 K157D152-N155 PolarHBondContact O-N 3.15Å; N155-K157 VanDerWaalsContact C-N 3.3Å; N155-K157 PolarHBondContact O-N 3.22Å
156E31Very low43.2Very low200 Ų200115.8 Ų115.894%0.93562%0.617SS**G310 helixtrans-87.215.1172.8-77.5-161.3158.600114.2
157K34.7Very low40.5Very low196 Ų196123 Ų12385%0.85265%0.654SS**G310 helixtrans-110.88-175.5-75.7-167.9176.4179.70117.4N155N155-K157 VanDerWaalsContact C-N 3.3Å; N155-K157 PolarHBondContact O-N 3.22Å
158E33Very low37.4Very low195 Ų195129.1 Ų129.191%0.91169%0.691SS**SBendtrans-126.396.8166-68.2-166.7158.900110.4
159G27.5Very low34.5Very low75 Ų75136.9 Ų136.977%0.77373%0.727SS**  trans160.938.1-179.900000118.9
160K27.4Very low31.9Very low202 Ų202142.8 Ų142.888%0.87875%0.752SS**  trans-130.577.8162-79.3-157.8174.9-1650112.3
161G26.4Very low30.1Very low74 Ų74150.2 Ų150.276%0.76377%0.772SS**  trans-120.8107.8153.500000107.7
162E30.9Very low28.8Very low177 Ų177155 Ų15583%0.82779%0.789SS**  trans-83.6122.3179.2-69.6175.1164.700110.7
163T24.2Very low28.2Very low140 Ų140155 Ų15586%0.85980%0.795SS**  trans-157.4105.9154.815.50000110.8
164E26.4Very low27.5Very low183 Ų183156 Ų15686%0.85580%0.804SS**  trans-73.8165.8147.4-70.6-171145.900109.1
165P32.5Very low26.8Very low108 Ų108157.8 Ų157.870%0.70181%0.809SS**  cis-118.4-160.68.234.8-12.7000111.2
166E21.1Very low26.6Very low175 Ų175157.1 Ų157.182%0.81881%0.809SS**  cis-171.7163.235.6-153.3169.6-128.800111.5
167I31.3Very low26.2Very low164 Ų164155 Ų15584%0.84181%0.805SS**  trans-102.4112.4-179.3-59.6167.2000111.2
168V21.6Very low25.7Very low129 Ų129149.9 Ų149.978%0.78280%0.799SS**  trans-146.5142.6157.1-1760000112.1
169Q27.1Very low25.3Very low169 Ų169148.7 Ų148.779%0.7980%0.797SS**  trans-71148.9175.4-56.5162.3-18.200113
170Q21.8Very low25.1Very low156 Ų156152.3 Ų152.373%0.72980%0.799SS**  173.5135.5119.2-95.5175.947.700116.1
171R20.6Very low25Very low222 Ų222147.6 Ų147.684%0.83879%0.792SS**  trans55.3116.5138.8-69.3176.7169170.5-4.3122.4
172M23.3Very low24.9Very low171 Ų171151.4 Ų151.484%0.84279%0.791SS**  trans-38.4159.3140-76.5-175.381.900113.6
173P30.7Very low24.5Very low102 Ų102150.4 Ų150.466%0.66279%0.787SS**  cis-158.6175.146.345.1-23.6000121.4
174L22.7Very low24.4Very low144 Ų144150.8 Ų150.875%0.75478%0.783SS**  trans61.7122.5144.4-75159000120.8
175K20.9Very low24.3Very low198 Ų198152.3 Ų152.386%0.86178%0.782SS**  -164.5135.880.3-97.9-172.7178.6179.80113.8
176V23.1Very low23.9Very low119 Ų119155.1 Ų155.172%0.72179%0.786SS**  trans-106.9143154.9172.70000106.1
177D23.7Very low24.1Very low157 Ų157154.6 Ų154.684%0.8479%0.787SS**  trans173.4119.7135.2-91.6-23.8000111.6
178A23.9Very low23.7Very low88 Ų88155 Ų15573%0.72778%0.783SS**  152.9103.5104.900000112.6
179L23.4Very low23.9Very low169 Ų169155.6 Ų155.689%0.88578%0.777SS**  -168.5126103.9-130.276000111.4
180N24.8Very low23.7Very low151 Ų151154 Ų15481%0.80777%0.774SS**  trans-74.1167.8159.6-69-55.6000108.4
181S25.6Very low23.8Very low104 Ų104152.9 Ų152.973%0.72778%0.778SS**  cis-174.7162.545.245.90000115
182M23Very low24.9Very low153 Ų153147.5 Ų147.575%0.75477%0.772SS**  trans75.497.4148.9-77.3176.773.400122.6
183Q22.8Very low26Very low156 Ų156144 Ų14473%0.72976%0.762SS**  79.7130.1114.4-77.1-178.3-20.500122.6
184L23.1Very low25.6Very low148 Ų148145.5 Ų145.578%0.77577%0.769SS**  trans-61.9158.5158.8-77.675.4000112.2
185Y23.1Very low25.8Very low216 Ų216143.7 Ų143.785%0.84777%0.769SS**  trans-133.6128140-98.7-86.6000110.5
186E25Very low26.1Very low166 Ų166138.1 Ų138.178%0.77676%0.755SS**  trans-89.1148.1161.2-62.1-17913900109.5
187I24.4Very low26.3Very low165 Ų165140.7 Ų140.785%0.84676%0.759SS**  trans-138.5141.3150.4-59.2-174.2000108.9
188K23.1Very low26.4Very low173 Ų173138.6 Ų138.675%0.75275%0.748SS**  trans-71.6-173.7177.2-57.7170.6173.8174.90110.7
189E25.5Very low26.5Very low140 Ų140143.8 Ų143.865%0.65475%0.75SS**  cis-177173.231.7-152.6171.6-122.700111.7
190N23.3Very low26.6Very low137 Ų137145 Ų14573%0.73375%0.748SS**  trans88.4118.1155-62-46000121.7
191T24Very low26.7Very low131 Ų131141.4 Ų141.480%0.80474%0.739SS**  trans-105.2-167168.330.40000109.5
192P42.8Very low26.7Very low110 Ų110145.4 Ų145.471%0.71475%0.746SS**  -121.8-136.3-58.636.8-16.9000107.8
193P46.3Very low26.8Very low98 Ų98141.9 Ų141.964%0.63674%0.741SS**  cis-136-154.5-17.632.5-7.2000114.1
194T23.9Very low27Very low132 Ų132141.3 Ų141.381%0.8174%0.743SS**  trans73.9139.5165.254.10000117
195S26.2Very low27.1Very low106 Ų106140.4 Ų140.474%0.74174%0.743SS**  cis-162-173.4-11.768.70000108
196S26.5Very low27.3Very low81 Ų81136.2 Ų136.257%0.56674%0.735SS**  cis-167.4154.5-3.722.70000108.3
197E27.1Very low27.3Very low174 Ų174135.6 Ų135.681%0.81374%0.736SS**  trans58.2146.9136.3-68.1166.7-162.400121.3
198D27.4Very low27.3Very low113 Ų113132.4 Ų132.460%0.60473%0.729SS**  cis-167.8-176.3-18.2-131.7-24.3000110.6
199Y26.3Very low27.3Very low197 Ų197129 Ų12977%0.77373%0.732SS**  trans78.6119.6165.7-54.9-67.9000116.6
200K24.4Very low27.3Very low195 Ų195127 Ų12785%0.84874%0.74SS**  cis57.1142.146.4-69.7-171.6175.2179.90113.7
201A27.1Very low27.3Very low74 Ų74127.1 Ų127.161%0.61275%0.746SS**  cis-167.8177.8-16.900000107.4
202E26.1Very low28.1Very low189 Ų189126.7 Ų126.788%0.88375%0.746SS**  trans65.8154.4155.4-70.2163.8-16000118.3
203A25.5Very low27.2Very low78 Ų78125.7 Ų125.765%0.64575%0.746SS**  cis-161.7158.8-24.500000109.2
204D26.4Very low26.1Very low145 Ų145127.4 Ų127.478%0.77576%0.755SS**  trans33.1141.6146.4-58.4-21.9000122.5
205V25.1Very low26.2Very low128 Ų128128 Ų12878%0.77675%0.752SS**  -157110.3109.5138.90000110.9
206L26.7Very low26.2Very low128 Ų128128.8 Ų128.867%0.6776%0.755SS**  trans59.3118.2137.6-49-179.5000120.2
207L24.4Very low26.1Very low153 Ų153131.4 Ų131.480%0.80176%0.762SS**  76.4142.198.9-67.4174.5000114.7
208S24.5Very low26Very low99 Ų99130.9 Ų130.969%0.69277%0.765SS**  cis-163.7142.3-3.643.30000112.1
209A24.9Very low25.9Very low100 Ų100131.9 Ų131.983%0.82677%0.77SS**  trans35.8128131.700000122.2
210A23.6Very low25.8Very low100 Ų100132.6 Ų132.683%0.82678%0.777SS**  -165134.4121.300000112.2
211T24.3Very low25.8Very low139 Ų139132 Ų13285%0.85378%0.778SS**  trans-147.6171.1167.722.80000107.2
212P41.3Very low25.6Very low122 Ų122137.6 Ų137.679%0.79279%0.791SS**  -117.1-168.1-64.235.6-18.5000109.8
213A22.6Very low25.4Very low88 Ų88136.7 Ų136.773%0.72779%0.787SS**  162.3155.9129.900000115.8
214T23.8Very low25.3Very low134 Ų134140.3 Ų140.382%0.82279%0.794SS**  trans103123.3146.4-27.10000118.4
215I26.1Very low25.1Very low146 Ų146140 Ų14075%0.74979%0.792SS**  trans-97.1147.9171.9-62.5158.3000108.1
216P26.6Very low25.1Very low122 Ų122141.7 Ų141.779%0.79280%0.796SS**  -128.4149.6125.44.316.9000113.4
217N24.8Very low25Very low135 Ų135140 Ų14072%0.72280%0.795SS**  trans-61.4153.8164.9-84.7-16.7000111.4
218D24.8Very low25.1Very low163 Ų163139 Ų13987%0.87280%0.795SS**  -152.9147.9123-121.2-24.8000112.7
219N25.4Very low25.3Very low135 Ų135142.7 Ų142.772%0.72280%0.801SS**  trans-86.4149.1-170.2-70.6-35.5000113.4
220K23.5Very low25.5Very low211 Ų211144.1 Ų144.192%0.91780%0.795SS**  -164.1126.8123.5-112.1167.7-174.3176.60113.8
221E23.8Very low25.7Very low183 Ų183142.8 Ų142.886%0.85578%0.784SS**  trans-74147.8171.5-58.7156.4137.300110.8
222Q22.8Very low26Very low191 Ų191142 Ų14289%0.89378%0.779SS**  trans-158.197139.1-116.81757.200109.9
223E22.9Very low25.5Very low170 Ų170144 Ų14479%0.79478%0.778SS**  trans-74.2137.2164.7-63.4-175.8132.700110
224I23.6Very low25.9Very low154 Ų154148.1 Ų148.179%0.7978%0.779SS**  trans-135.3103.9151.3-59.9-176.8000107.6
225N21.9Very low26.2Very low140 Ų140148.7 Ų148.775%0.74978%0.777SS**  trans-71.1139.4162.5-80.1-61.8000109.6
226L25.1Very low26.3Very low163 Ų163149.6 Ų149.685%0.85378%0.782SS**  trans-146.9136.3155.7-103.3172.8000111
227S23.9Very low26.3Very low92 Ų92148.4 Ų148.464%0.64378%0.782SS**  trans-71.9156-171.3-179.20000113.7
228V26.9Very low26.4Very low133 Ų133145.9 Ų145.981%0.80678%0.775SS**SBendtrans-117.175.3169.3-173.20000109.7
229E29.4Very low26.6Very low175 Ų175147.9 Ų147.982%0.81878%0.776SS**  trans-122.5-0.4166.2-76.4-171.2133.400113.2
230D28.6Very low26.5Very low131 Ų131150.4 Ų150.470%0.70178%0.784SS**  trans-113.736.4-165.3-152.621.9000114
231A28.4Very low26.5Very low72 Ų72148.2 Ų148.260%0.59578%0.782SS**SBendtrans-115.5-2.9-174.900000115
232T30.7Very low26.5Very low122 Ų122143.3 Ų143.375%0.74878%0.78SS**SBendtrans-99.6-12.6-177.628.10000115.4
233E30.7Very low26.6Very low163 Ų163139.2 Ų139.276%0.76277%0.772SS**SBendtrans-93.2-9.6178.4-72.9-160.8137.800115.1L235E233-L235 VanDerWaalsContact C-N 3.35Å; E233-L235 PolarHBondContact O-N 3.39Å
234K29.2Very low26.7Very low176 Ų176136.4 Ų136.477%0.76577%0.767SS**THydrogen-bonded Turntrans-87.811-179.7-81.3176179.2158.20115.8
235L30.2Very low26.7Very low146 Ų146135.8 Ų135.876%0.76477%0.765SS**THydrogen-bonded Turntrans-110.25179.2-87166.5000115.1E233E233-L235 VanDerWaalsContact C-N 3.35Å; E233-L235 PolarHBondContact O-N 3.39Å
236L28.8Very low26.9Very low165 Ų165134.4 Ų134.486%0.86477%0.766SS**SBendtrans-112.64.3179.2-79.4168000114.9
237A26.5Very low26.8Very low96 Ų96131.3 Ų131.379%0.79376%0.764SS**SBendtrans-114.729.6-173.900000114.4
238S27.9Very low26.8Very low82 Ų82131.2 Ų131.257%0.57377%0.77SS**SBendtrans-139.130.9-173.855.20000115.7
239F28.1Very low26.8Very low205 Ų205131.2 Ų131.290%0.89977%0.77SS**  trans-144.975.5164.1-84.2-73.5000112.2
240E23.3Very low26.5Very low188 Ų188130.1 Ų130.188%0.87977%0.769SS**  trans-162.5148.1147.6-117.5166.9-148.800113.6
241L24.4Very low26.4Very low166 Ų166132.4 Ų132.487%0.86978%0.776SS**  trans72.5123168.2-76155.8000121.3
242G23.8Very low26.3Very low80 Ų80134.9 Ų134.983%0.82579%0.789SS**  trans173.169.2174.500000111.7
243S23.9Very low26Very low104 Ų104134.6 Ų134.673%0.72779%0.792SS**  trans-69158173.147.60000111.5
244T24.5Very low26.6Very low112 Ų112132.4 Ų132.469%0.68779%0.792SS**  cis-155.8170.149.944.70000109.3
245D25.3Very low26.4Very low141 Ų141129.1 Ų129.175%0.75480%0.797SS**  -165.8152.554-105.3-46.1000115.8
246S24.6Very low26.1Very low110 Ų110127.1 Ų127.177%0.76980%0.802SS**  trans43.4128.4150.370.90000124.8
247A24.5Very low25.9Very low98 Ų98124.2 Ų124.281%0.8180%0.802SS**  trans126.184.5144.800000112.9
248A23.4Very low25.8Very low91 Ų91128.8 Ų128.875%0.75280%0.803SS**  84126.162.400000114.8
249V26.1Very low25.6Very low133 Ų133134.4 Ų134.481%0.80682%0.818SS**  trans73.2133.4168.2-1640000113.9
250D24.5Very low25.4Very low151 Ų151131.1 Ų131.181%0.80781%0.81SS**  cis-143.7160.922.1-138.8-19.9000114.3
251E26.3Very low25.5Very low179 Ų179126.4 Ų126.484%0.83680%0.803SS**  trans-94.9142168.9-66.6-176.3130.600111.1
252S25.5Very low25.6Very low125 Ų125124.6 Ų124.687%0.87480%0.801SS**  trans-177.3119.7138.732.80000114.4
253S24.3Very low25.7Very low116 Ų116126.6 Ų126.681%0.81180%0.797SS**  trans-117.6-178.5143.7-137.50000106
254P43.5Very low25.7Very low117 Ų117132.3 Ų132.376%0.7680%0.804SS**  cis-131.4-179.8-14.839.5-24000112.3
255A24.2Very low25.7Very low106 Ų106131.8 Ų131.888%0.87681%0.805SS**  trans-155.3134.9150.800000111.6
256A24.2Very low26.5Very low105 Ų105129.9 Ų129.987%0.86880%0.801SS**  trans-109.7149.217900000111.6
257A24.2Very low26.6Very low104 Ų104133.9 Ų133.986%0.8680%0.804SS**  trans-143.2112.4160.800000110
258K25Very low26.5Very low191 Ų191134.7 Ų134.783%0.8380%0.799SS**  trans-79.7147.8165.9-62.4171.2176.71760108.4
259F23.8Very low26.7Very low200 Ų200136 Ų13688%0.87780%0.798SS**  trans-153.1145.8137.9-110.6-72.2000113.2
260N24.9Very low26.6Very low137 Ų137138.5 Ų138.573%0.73380%0.801SS**  trans-58.2155.8-161.2-56.8-30.3000118.3
261A24.5Very low26.9Very low88 Ų88138.8 Ų138.873%0.72780%0.802SS**  trans-77.1170.1155.600000111.9
262P26.9Very low27.3Very low128 Ų128136.1 Ų136.183%0.83180%0.8SS**  trans-124.9157.5136.736.2-28.4000113
263V25.4Very low28.2Very low123 Ų123136.3 Ų136.375%0.74580%0.797SS**  trans-108.1141.2177.7168.90000108.7
264Y24.2Very low28.5Very low224 Ų224140.7 Ų140.788%0.87880%0.801SS**  178.8155.4128.9-102.6-74.9000111.6
265S24.4Very low28.2Very low101 Ų101139.6 Ų139.671%0.70680%0.796SS**  trans-112-166.8-173.259.70000110.9
266P43Very low28.7Very low101 Ų101141.1 Ų141.166%0.65679%0.789SS**  cis-134.1-170.3-14.220.56.2000114.6
267F24.8Very low29.2Very low193 Ų193142.5 Ų142.585%0.84678%0.782SS**  trans100.4132.1144.7-86.6-57.9000124.6
268V24.1Very low29.7Very low116 Ų116141 Ų14170%0.70377%0.769SS**  trans83105146.7179.30000121.8
269T26.7Very low30.3Very low118 Ų118137.9 Ų137.972%0.72476%0.757SS**  trans16.9135.7142.764.40000123.9
270E24.9Very low31Very low186 Ų186135.1 Ų135.187%0.86975%0.745SS**  157.8142.8112.6-81.8-160.6153.200112.5
271N29.6Very low31.6Very low157 Ų157134.5 Ų134.584%0.8474%0.738SS**  trans-74.4153.8175-84.5-31.8000110.6
272P35.7Very low32.1Very low122 Ų122137.4 Ų137.479%0.79274%0.736SS**  -147.7147.285.534.8-15.2000118.1
273T43.2Very low32.5Very low130 Ų130136.6 Ų136.680%0.79873%0.725SS**  trans-45.4131.2157.433.70000114.4
274K30.6Very low33Very low207 Ų207134.4 Ų134.490%0.971%0.711SS**  trans-172.40.6150.2-110.9163.2-171.9177.70117.9
275S37.3Very low33.5Very low94 Ų94130.1 Ų130.166%0.65770%0.697SS**SBendtrans-91.3-20.4-170.8-159.10000116.6
276L34.8Very low33.8Very low138 Ų138128.8 Ų128.872%0.72369%0.688SS**Hα-helixtrans-84.3-27.6-165.9-84.5151.6000115.2A278 F280L276-A278 VanDerWaalsContact C-N 3.28Å; L276-A278 PolarHBondContact O-N 3.42Å; L276-F280 PolarHBondContact O-N 3.4Å
277D35.4Very low33.4Very low135 Ų135132.1 Ų132.172%0.72269%0.692SS**Hα-helixtrans-73.2-20.2179.6-71.9-37.6000113.3Q281D277-Q281 PolarHBondContact O-N 3.34Å
278A35Very low33.6Very low71 Ų71131.6 Ų131.659%0.58769%0.69SS**Hα-helixtrans-74.9-49.5178.500000111.8L276 F280 Q281 E282L276-A278 VanDerWaalsContact C-N 3.28Å; L276-A278 PolarHBondContact O-N 3.42Å; A278-F280 VanDerWaalsContact C-N 3.28Å; A278-F280 PolarHBondContact O-N 2.9Å; A278-Q281 PolarHBondContact O-N 3.29Å; A278-E282 PolarHBondContact O-N 3.24Å
279E37Very low33.8Very low126 Ų126131.5 Ų131.559%0.58969%0.689SS**Hα-helixtrans-61.9-36.3176.9-69.3-175.6131.300111.7Q281 E282 L283E279-Q281 PolarHBondContact O-N 3.18Å; E279-E282 PolarHBondContact O-N 2.95Å; E279-L283 PolarHBondContact O-N 3.21Å
280F39.2Very low33.9Very low143 Ų143134.4 Ų134.463%0.62770%0.695SS**Hα-helixtrans-62.9-38.8178-170.5-107.5000112.9L276 A278 V284L276-F280 PolarHBondContact O-N 3.4Å; A278-F280 VanDerWaalsContact C-N 3.28Å; A278-F280 PolarHBondContact O-N 2.9Å; F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.88Å
281Q36.9Very low34.1Very low124 Ų124133.2 Ų133.258%0.57969%0.694SS**Hα-helixtrans-76-25.1176.2-71.5-153.612.300113.9D277 A278 E279 K285D277-Q281 PolarHBondContact O-N 3.34Å; A278-Q281 PolarHBondContact O-N 3.29Å; E279-Q281 PolarHBondContact O-N 3.18Å; Q281-K285 WeakPolarHBondContact O-CG 3.34Å; Q281-K285 PolarHBondContact O-N 3.19Å
282E35.9Very low33.7Very low148 Ų148131 Ų13169%0.69269%0.686SS**Hα-helixtrans-73.9-41.8174.7-131179.6-175.800111.3A278 E279 V284 K285 S286A278-E282 PolarHBondContact O-N 3.24Å; E279-E282 PolarHBondContact O-N 2.95Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 3.09Å; E282-K285 PolarHBondContact O-N 3.16Å; E282-K285 VanDerWaalsContact O-N 3.14Å; E282-S286 PolarHBondContact O-N 2.87Å
283L34.9Very low33.2Very low111 Ų111133.7 Ų133.758%0.58169%0.686SS**Hα-helixtrans-61-41.5175.3-137.199.2000112.1E279 K285 S286 F287E279-L283 PolarHBondContact O-N 3.21Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-OG 2.84Å; L283-F287 WeakPolarHBondContact O-CD2 3.21Å; L283-F287 PolarHBondContact O-N 2.84Å
284V36.3Very low32.3Very low77 Ų77136.5 Ų136.547%0.46769%0.687SS.*Hα-helixtrans-69.5-23.8178.1172.50000112.5F280 E282F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.88Å; E282-V284 VanDerWaalsContact C-N 3.35Å; E282-V284 PolarHBondContact O-N 3.09Å
285K34.3Very low32Very low134 Ų134133.9 Ų133.958%0.58368%0.682SS**Hα-helixtrans-79.3-38.8173-75.6170.4-175.8167.10112.1Q281 E282 L283 F287 K288Q281-K285 WeakPolarHBondContact O-CG 3.34Å; Q281-K285 PolarHBondContact O-N 3.19Å; E282-K285 PolarHBondContact O-N 3.16Å; E282-K285 VanDerWaalsContact O-N 3.14Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.84Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 2.82Å; K285-K288 PolarHBondContact O-N 2.88Å
286S30.8Very low31.3Very low73 Ų73138.4 Ų138.451%0.5170%0.696SS.*Hα-helixtrans-62.6-38.4-179.169.10000112.7E282 L283 K288 V289E282-S286 PolarHBondContact O-N 2.87Å; L283-S286 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-OG 2.84Å; S286-K288 VanDerWaalsContact C-N 3.28Å; S286-K288 PolarHBondContact O-N 2.93Å; S286-V289 PolarHBondContact O-N 2.86Å
287F33.5Very low30.7Very low171 Ų171138.7 Ų138.775%0.7570%0.698SS**THydrogen-bonded Turntrans-69.9-13.9177-86.3-82.1000115.4L283 K285L283-F287 WeakPolarHBondContact O-CD2 3.21Å; L283-F287 PolarHBondContact O-N 2.84Å; K285-F287 VanDerWaalsContact C-N 3.34Å; K285-F287 PolarHBondContact O-N 2.82Å
288K29Very low30.1Very low183 Ų183139.5 Ų139.580%0.79670%0.701SS**THydrogen-bonded Turntrans-91.7-2.6177.7-80.9-173.1174.4-179.10114.7K285 S286K285-K288 PolarHBondContact O-N 2.88Å; S286-K288 VanDerWaalsContact C-N 3.28Å; S286-K288 PolarHBondContact O-N 2.93Å
289V28.9Very low29.8Very low113 Ų113141.3 Ų141.369%0.68571%0.707SS**SBendtrans-100-12.8-171.7176.60000113.8S286 N291S286-V289 PolarHBondContact O-N 2.86Å; V289-N291 PolarHBondContact O-N 2.94Å
290Q28.6Very low29.8Very low180 Ų180140.6 Ų140.684%0.84171%0.714SS**SBendtrans-92.435.9-176.7-93.9-170.6-6.500115.9
291N28.4Very low29.3Very low160 Ų160139.4 Ų139.486%0.85672%0.72SS**  trans-150.368.1171.9-102.6-34.2000113.7V289V289-N291 PolarHBondContact O-N 2.94Å
292V22.8Very low28.8Very low112 Ų112139.3 Ų139.368%0.67973%0.73SS**  trans-146.1143.4162.3-1600000111.6
293F24.6Very low28.3Very low178 Ų178137.6 Ų137.678%0.78173%0.734SS**  trans88.2139.7168.8-58.6-64.6000117.2
294K25.1Very low27.8Very low189 Ų189139.2 Ų139.282%0.82275%0.749SS**  cis-153.8149.616.5-134.6156.6-165.8175.20113.4
295N23.1Very low27.2Very low151 Ų151140.6 Ų140.681%0.80776%0.762SS**  trans-74.1151.1168.4-75.4-27.4000112.4
296M22.7Very low26.8Very low190 Ų190142.2 Ų142.294%0.93678%0.775SS**  trans-142.2145155.7-85.7-166.9165.800111
297N23.1Very low26.4Very low144 Ų144147.5 Ų147.577%0.7779%0.792SS**  trans-105.8166.2178.4-51.2-14.6000108.6
298L22.7Very low26Very low151 Ų151148 Ų14879%0.79180%0.796SS**  cis-145-165.714.4-105.6116.6000106.8
299P27.2Very low25.8Very low110 Ų110145.3 Ų145.371%0.71480%0.798SS**  cis-127176.7-10.527.6-4.8000114.9
300P37.9Very low25.6Very low111 Ų111146.5 Ų146.572%0.72181%0.805SS**  trans-81.5177.5168.237.2-37.7000112
301P29.4Very low25.4Very low117 Ų117143.7 Ų143.776%0.7681%0.805SS**  cis-138.1-157.224.645.6-24.3000112.8
302P25.3Very low25.2Very low122 Ų122141.4 Ų141.479%0.79280%0.802SS**  cis-127.8169.6-3.942-25.4000116.9
303S25.7Very low25.3Very low112 Ų112141 Ų14178%0.78381%0.811SS**  trans-78.5142-179.650.90000114.7
304V24.2Very low25.2Very low145 Ų145138.4 Ų138.488%0.87981%0.814SS**  trans-129.7123.3146.3179.60000108.2
305S23.1Very low25.1Very low107 Ų107134.6 Ų134.675%0.74882%0.818SS**  trans-88.6135.5-177.347.10000112
306I26.9Very low25.2Very low168 Ų168132.4 Ų132.486%0.86281%0.814SS**  trans-133.3133.4154.7-60.1-176.8000107.3
307E22.6Very low25.3Very low183 Ų183130.7 Ų130.786%0.85581%0.809SS**PPolyproline II helixtrans-83139.1-169.5-59165136.700111.9
308E23.8Very low25.4Very low181 Ų181134.5 Ų134.585%0.84681%0.814SS**PPolyproline II helixtrans-102.2127157.4-76.9-167.7148.700109.4V310E308-V310 PolarHBondContact O-N 3.02Å
309P26.6Very low25.4Very low128 Ų128138.2 Ų138.283%0.83182%0.818SS**PPolyproline II helixtrans-79.3116.7170.930.4-31.3000110.7
310V23.3Very low25.3Very low137 Ų137140.7 Ų140.783%0.8382%0.82SS**PPolyproline II helixtrans-66.1135.7171.7178.20000110.6E308E308-V310 PolarHBondContact O-N 3.02Å
311S25.9Very low24.6Very low121 Ų121143.3 Ų143.385%0.84682%0.822SS**  trans-140.5126.7145.769.60000111.9
312S23.1Very low24.3Very low113 Ų113145.4 Ų145.479%0.7983%0.825SS**  trans-87147.5-173.452.10000113.2
313A24.7Very low24.2Very low104 Ų104147.3 Ų147.386%0.8683%0.829SS**  trans-147135.2146.800000110.8
314S23.4Very low24.5Very low123 Ų123147.6 Ų147.686%0.8683%0.826SS**  trans-75.2138.8-173.849.10000113.7
315A22.5Very low24.5Very low108 Ų108147.6 Ų147.689%0.89383%0.827SS**  trans-92130.8161.100000110.1
316S25.1Very low24.6Very low105 Ų105147.3 Ų147.373%0.73482%0.824SS**  trans-106.4133.4174550000110.8
317D25.3Very low24.6Very low155 Ų155147.1 Ų147.183%0.82982%0.824SS**  trans-58.1136.1174.4-78.3-57.4000112.9
318Y24.1Very low24.7Very low224 Ų224145.7 Ų145.788%0.87882%0.823SS**  trans-143.8117.3147.2-95.3-77.7000110.3
319R22.4Very low24.8Very low228 Ų228141.8 Ų141.886%0.8682%0.815SS**  trans-80.8138.6159.6-64.6175.3176.5175.7-1.8107.9
320H26.1Very low24.8Very low163 Ų163143.1 Ų143.176%0.75581%0.814SS**  -167.1145.2127.9-113.7-86.1000113
321Q23.1Very low24.8Very low166 Ų166148 Ų14878%0.77682%0.817SS**  trans14133.8161.9-75.7154.6-35.600121.9
322I23.5Very low25Very low161 Ų161146.8 Ų146.883%0.82681%0.805SS**  trans-89.7119166.9-63.7161.7000108
323D22.3Very low25.2Very low161 Ų161147.5 Ų147.586%0.86180%0.804SS**  trans-98.2136.2162.1-103.5-36.7000110.2
324T31.7Very low25.5Very low118 Ų118151.5 Ų151.572%0.72480%0.802SS**  trans-90.6107.1-176.349.60000111.2
325T25.8Very low26.2Very low146 Ų146149.7 Ų149.790%0.89678%0.783SS**  trans174.7111.3142.9240000112
326S24.7Very low26.9Very low100 Ų100149 Ų14970%0.69977%0.771SS**  trans149.8132.5155.6-177.60000109
327L26.3Very low27.9Very low165 Ų165147.6 Ų147.686%0.86476%0.76SS**  trans-104.41.1-169.2-107.3159000114.3S329L327-S329 PolarHBondContact O-N 2.83Å
328D25Very low28.8Very low153 Ų153140.3 Ų140.382%0.81872%0.721SS**  trans-99.129.3-163.7-64.2-32.1000115.5
329S25Very low29.5Very low98 Ų98133.5 Ų133.569%0.68571%0.707SS**  trans-147.556.9179.856.40000116.5L327 R331L327-S329 PolarHBondContact O-N 2.83Å; S329-R331 PolarHBondContact O-N 3.43Å
330I27.5Very low30.8Very low156 Ų156123.4 Ų123.480%0.867%0.67SS**  trans-69.299.8156-63.1168.1000107.8T332I330-T332 PolarHBondContact O-N 3.37Å; I330-T332 VanDerWaalsContact O-N 3.09Å
331R24.2Very low31.3Very low239 Ų239119.6 Ų119.690%0.90267%0.666SS**  trans-62.5111.4172.4-75.7-176.9174.3178.7-0.7109.5S329S329-R331 PolarHBondContact O-N 3.43Å
332T28.8Very low32.2Very low96 Ų96113.5 Ų113.559%0.58964%0.64SS**  trans-65.9138.7175.438.90000111.3I330 K334I330-T332 PolarHBondContact O-N 3.37Å; I330-T332 VanDerWaalsContact O-N 3.09Å; T332-K334 PolarHBondContact O-N 3.36Å
333V28.5Very low32.9Very low129 Ų129112.2 Ų112.278%0.78264%0.639SS**  trans-59.6131.5163.1176.70000107.3D335V333-D335 PolarHBondContact O-N 3.39Å
334K30.4Very low34Very low188 Ų188106.5 Ų106.582%0.81761%0.611SS**  trans-64.5107.9173.7-79.5-175174-177.50109T332 S336T332-K334 PolarHBondContact O-N 3.36Å; K334-S336 PolarHBondContact O-N 2.91Å; K334-S336 PolarHBondContact O-OG 2.86Å
335D38.8Very low34.9Very low85 Ų85103.9 Ų103.946%0.45559%0.59SS.*  trans-53.3107.2167.1-76.5-33.6000108V333 H770V333-D335 PolarHBondContact O-N 3.39Å; D335-H770 WeakPolarHBondContact OD2-CB 3.41Å
336S37.1Very low35.7Very low93 Ų93102 Ų10265%0.6558%0.582SS**  trans-79.3146.1-179-65.90000109.8K334 A338K334-S336 PolarHBondContact O-N 2.91Å; K334-S336 PolarHBondContact O-OG 2.86Å; S336-A338 PolarHBondContact O-N 3.29Å
337P44.8Very low36.6Very low75 Ų75101.5 Ų101.549%0.48759%0.585SS.*  trans-56.4126.3-175.621.6-33000111.1S339P337-S339 PolarHBondContact O-N 3.42Å; P337-S339 VanDerWaalsContact O-N 3.08Å
338A45.3Very low38.2Very low3 Ų397 Ų973%0.02558%0.577CS.*BIsolated β-bridgetrans-67.4110.6-173.900000110.5S336 L340 Y760 L765 P766S336-A338 PolarHBondContact O-N 3.29Å; A338-L340 PolarHBondContact O-N 2.97Å; A338-L340 VanDerWaalsContact O-N 3.13Å; A338-Y760 HydrophobicContact CB-CE1 4.19Å; A338-L765 HydrophobicContact CB-CD2 4.49Å; A338-P766 HydrophobicContact CB-CG 4.27Å
339S39Very low40.4Very low81 Ų8191.1 Ų91.157%0.56655%0.553SS**  trans-74.6102.6174.9-171.90000110.1P337 A341P337-S339 PolarHBondContact O-N 3.42Å; P337-S339 VanDerWaalsContact O-N 3.08Å; S339-A341 PolarHBondContact O-N 3.43Å; S339-A341 VanDerWaalsContact O-N 3.07Å; S339-A341 WeakPolarHBondContact OG-CB 3.42Å
340L49.3Very low43.2Very low16 Ų1689.9 Ų89.98%0.08454%0.538CS..  trans-76.823.4174.9-96.2160.5000113A338 V342 V605 G608 V609 L611 L765A338-L340 PolarHBondContact O-N 2.97Å; A338-L340 VanDerWaalsContact O-N 3.13Å; L340-V342 PolarHBondContact O-N 2.89Å; L340-V605 HydrophobicContact CD2-CB 4.19Å; L340-V605 HydrophobicContact CD2-CG1 3.7Å; L340-V605 HydrophobicContact CD2-CG2 4.23Å; L340-G608 VanDerWaalsContact O-CA 3.23Å; L340-G608 WeakPolarHBondContact O-CA 3.42Å; L340-V609 WeakPolarHBondContact CB-O 3.33Å; L340-V609 WeakPolarHBondContact CD1-O 3.39Å; L340-L611 HydrophobicContact CD1-CB 4.49Å; L340-L765 HydrophobicContact CD1-CD1 4.37Å; L340-L765 HydrophobicContact CD1-CD2 4.37Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CG-CD2 3.73Å
341A35.3Very low46Very low82 Ų8283.7 Ų83.768%0.67851%0.508SS*.  trans-70.994.6-166.200000113.8S339S339-A341 PolarHBondContact O-N 3.43Å; S339-A341 VanDerWaalsContact O-N 3.07Å; S339-A341 WeakPolarHBondContact OG-CB 3.42Å
342V42.3Very low48.9Very low39 Ų3973.8 Ų73.824%0.23647%0.47CS..  trans-99.5138.8159.4-165.10000107.5L340 P344 T579 V583L340-V342 PolarHBondContact O-N 2.89Å; V342-P344 WeakPolarHBondContact O-CD 3.28Å; V342-T579 HydrophobicContact CB-CG2 4.27Å; V342-T579 HydrophobicContact CG1-CG2 3.81Å; V342-T579 HydrophobicContact CG2-CG2 3.4Å; V342-T579 VanDerWaalsContact CG2-CG2 3.4Å; V342-V583 HydrophobicContact CG1-CG2 4.4Å
343V38.7Very low51.5Low133 Ų13371.6 Ų71.681%0.80646%0.455SS*.  trans-69113.3168.5-179.70000107.6
344P46.5Very low54.1Low41 Ų4169.2 Ų69.227%0.26644%0.438SS..PPolyproline II helixtrans-67.2153.2178.5-15.631.7000109.8V342 S346 P733V342-P344 WeakPolarHBondContact O-CD 3.28Å; P344-S346 PolarHBondContact O-N 3.25Å; P344-P733 HydrophobicContact CB-CB 3.97Å; P344-P733 HydrophobicContact CG-CB 4.46Å
345F50Low56.8Low64 Ų6465.8 Ų65.828%0.28142%0.421SS..PPolyproline II helixtrans-51.5127.1-178.4-76.3-90.5000112.1A347 W360 V583 L587F345-A347 PolarHBondContact O-N 2.99Å; F345-W360 HydrophobicContact CB-CH2 4.47Å; F345-W360 HydrophobicContact CB-CZ2 4.21Å; F345-V583 HydrophobicContact CZ-CG1 4.44Å; F345-L587 HydrophobicContact CE2-CD1 3.45Å; F345-L587 VanDerWaalsContact CE2-CD1 3.45Å; F345-L587 HydrophobicContact CZ-CB 3.92Å; F345-L587 HydrophobicContact CZ-CD1 3.46Å; F345-L587 VanDerWaalsContact CZ-CD1 3.46Å; F345-L587 HydrophobicContact CZ-CG 4.29Å
346S42.3Very low59Low105 Ų10563.7 Ų63.773%0.73442%0.419SS*.PPolyproline II helixtrans-56.5131.7-177.654.60000112.3P344P344-S346 PolarHBondContact O-N 3.25Å
347A44.5Very low61.5Low91 Ų9159.2 Ų59.275%0.75239%0.388SS*.SBendtrans15.6116162.600000118.3F345F345-A347 PolarHBondContact O-N 2.99Å
348G58.9Low63.8Low69 Ų6955.8 Ų55.871%0.71137%0.365SS*.  trans135.51.5161.800000117.6
349G72Confident66.1Low30 Ų3055.7 Ų55.731%0.30936%0.364SS..PPolyproline II helixtrans-95.7158.4177.400000114.4S361G349-S361 CarbonylContact C-O 3.52Å; G349-S361 WeakPolarHBondContact CA-O 3.38Å
350I83.3Confident68.6Low73 Ų7353 Ų5337%0.37434%0.342SS..EExtended strand (participates in β ladder)trans-98.9127.2174.7-54.3170.6000109.3Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.27Å; I350-Y352 HydrophobicContact CG2-CE1 3.81Å; I350-Y352 HydrophobicContact CG2-CE2 4.07Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.39Å; I350-W360 WeakPolarHBondContact O-CA 3.34Å; I350-S361 PolarHBondContact N-O 3Å; I350-S361 PolarHBondContact O-N 3.41Å; I350-S361 VanDerWaalsContact O-N 3.11Å; I350-A364 HydrophobicContact CD1-CB 4.18Å
351T85.5Confident70.5Confident25 Ų2552.2 Ų52.215%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-103.2124.2176.1-55.40000111.9L358 G359 L730 K731T351-L358 HydrophobicContact CG2-CD1 3.62Å; T351-L358 HydrophobicContact CG2-CG 4.38Å; T351-G359 CarbonylContact C-O 3.6Å; T351-G359 VanDerWaalsContact CA-O 3.29Å; T351-G359 WeakPolarHBondContact CA-O 3.33Å; T351-L730 PolarHBondContact OG1-O 3.12Å; T351-K731 HydrophobicContact CG2-CG 3.96Å
352Y85.8Confident72.8Confident31 Ų3154.3 Ų54.312%0.12233%0.328CS..EExtended strand (participates in β ladder)trans-99.8144.9175.9-52.5-79.5000110.6I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.27Å; I350-Y352 HydrophobicContact CG2-CE1 3.81Å; I350-Y352 HydrophobicContact CG2-CE2 4.07Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.39Å; Y352-L358 WeakPolarHBondContact O-CA 3.49Å; Y352-G359 PolarHBondContact N-O 3.44Å; Y352-G359 PolarHBondContact O-N 3.15Å; Y352-H363 PolarHBondContact OH-O 3.18Å; Y352-A364 WeakPolarHBondContact OH-CA 3.32Å; Y352-V365 HydrophobicContact CE2-CB 4.29Å; Y352-V365 PolarHBondContact OH-N 3.01Å; Y352-F401 HydrophobicContact CD1-CE1 4.3Å; Y352-F401 HydrophobicContact CG-CE1 4.07Å
353N83.1Confident74.8Confident51 Ų5155.2 Ų55.227%0.27333%0.33SS..  trans-142.640.517571.2-29.3000112.8V357 L358 Y727 K731N353-V357 CarbonylContact C-O 3.54Å; N353-V357 VanDerWaalsContact CA-O 3.32Å; N353-V357 WeakPolarHBondContact CA-O 3.45Å; N353-L358 HydrophobicContact CB-CD1 4.42Å; N353-Y727 HydrophobicContact CB-CD2 4.05Å; N353-Y727 HydrophobicContact CB-CG 4.37Å; N353-K731 WeakPolarHBondContact OD1-CE 3.43Å; N353-K731 PolarHBondContact OD1-NZ 3.47Å
354N84.2Confident77.2Confident78 Ų7852.9 Ų52.942%0.41732%0.324SS..  trans-101153.2-176.7-56.66.1000110.7G356 V357 F401N354-G356 PolarHBondContact O-N 3.45Å; N354-V357 PolarHBondContact O-N 3.38Å; N354-F401 HydrophobicContact CB-CZ 4.13Å
355Y85.8Confident79.2Confident117 Ų11751.4 Ų51.446%0.45931%0.314SS..THydrogen-bonded Turntrans59.522.1177.1-43.5-65.9000115.6V357 P367 A397 F401Y355-V357 VanDerWaalsContact C-N 3.34Å; Y355-P367 HydrophobicContact CE2-CB 4.06Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; Y355-A397 WeakPolarHBondContact O-CB 3.21Å; Y355-F401 HydrophobicContact CD2-CE2 4.11Å; Y355-F401 HydrophobicContact CD2-CZ 4.17Å
356G85.4Confident81.1Confident40 Ų4054 Ų5441%0.41234%0.335SS..THydrogen-bonded Turntrans87.4-4.3-179.500000115N354 Y727N354-G356 PolarHBondContact O-N 3.45Å; G356-Y727 WeakPolarHBondContact O-CE2 3.46Å; G356-Y727 PolarHBondContact O-OH 2.82Å
357V90.7Very high83.5Confident0 Ų050.6 Ų50.60%031%0.31CS..  trans-101.3133.2-179.41660000110.5N353 N354 Y355 A397 V398 F401 L596 F597 D598N353-V357 CarbonylContact C-O 3.54Å; N353-V357 VanDerWaalsContact CA-O 3.32Å; N353-V357 WeakPolarHBondContact CA-O 3.45Å; N354-V357 PolarHBondContact O-N 3.38Å; Y355-V357 VanDerWaalsContact C-N 3.34Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; V357-V398 HydrophobicContact CG1-CG1 4.25Å; V357-V398 HydrophobicContact CG2-CG1 3.65Å; V357-F401 HydrophobicContact CB-CE2 4.22Å; V357-F401 HydrophobicContact CG1-CD2 4.25Å; V357-F401 HydrophobicContact CG1-CE2 4.23Å; V357-L596 HydrophobicContact CG1-CB 4.35Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.44Å; V357-D598 HydrophobicContact CG2-CB 4.46Å
358L92.6Very high85.7Confident3 Ų346.5 Ų46.52%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-86124.3162-173.679.8000108.6T351 Y352 N353 F597 A603 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.62Å; T351-L358 HydrophobicContact CG2-CG 4.38Å; Y352-L358 WeakPolarHBondContact O-CA 3.49Å; N353-L358 HydrophobicContact CB-CD1 4.42Å; L358-F597 HydrophobicContact CB-CB 4.32Å; L358-F597 HydrophobicContact CD2-CD2 4.24Å; L358-F597 PolarHBondContact N-O 2.92Å; L358-F597 PolarHBondContact O-N 3.46Å; L358-A603 HydrophobicContact CB-CB 4.36Å; L358-A603 HydrophobicContact CD2-CB 3.86Å; L358-Y727 HydrophobicContact CB-CD1 4.06Å; L358-Y727 HydrophobicContact CB-CE1 3.8Å; L358-Y727 HydrophobicContact CB-CE2 4.31Å; L358-Y727 HydrophobicContact CB-CG 4.41Å; L358-Y727 HydrophobicContact CD1-CD1 4.12Å; L358-Y727 HydrophobicContact CD1-CG 4.1Å; L358-L730 HydrophobicContact CD1-CB 4.16Å; L358-L730 HydrophobicContact CD1-CD1 4.41Å; L358-L730 HydrophobicContact CD2-CB 4.16Å; L358-L730 HydrophobicContact CD2-CD1 3.58Å; L358-L730 HydrophobicContact CD2-CG 4.43Å
359G92.5Very high87.1Confident0 Ų048.4 Ų48.40%026%0.263CS..EExtended strand (participates in β ladder)trans-119.4147.4173.700000111.6T351 Y352 V595T351-G359 CarbonylContact C-O 3.6Å; T351-G359 VanDerWaalsContact CA-O 3.29Å; T351-G359 WeakPolarHBondContact CA-O 3.33Å; Y352-G359 PolarHBondContact N-O 3.44Å; Y352-G359 PolarHBondContact O-N 3.15Å; G359-V595 CarbonylContact C-O 3.52Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.43Å
360W91.4Very high87.8Confident25 Ų2547.3 Ų47.310%0.09525%0.252CS..EExtended strand (participates in β ladder)trans-136133.3170.3-18091.1000110.2F345 I350 R362 V593 L594 V595F345-W360 HydrophobicContact CB-CH2 4.47Å; F345-W360 HydrophobicContact CB-CZ2 4.21Å; I350-W360 WeakPolarHBondContact O-CA 3.34Å; W360-R362 HydrophobicContact CH2-CG 4.07Å; W360-V593 HydrophobicContact CZ3-CG1 3.98Å; W360-L594 CarbonylContact O-C 3.36Å; W360-L594 WeakPolarHBondContact O-CA 3.28Å; W360-V595 HydrophobicContact CE3-CG2 4.19Å; W360-V595 PolarHBondContact N-O 3.48Å; W360-V595 PolarHBondContact O-N 3.08Å
361S90.4Very high87.9Confident0 Ų044.3 Ų44.30%024%0.236CC..EExtended strand (participates in β ladder)trans-151152.1177.5176.50000110.5G349 I350 H363G349-S361 CarbonylContact C-O 3.52Å; G349-S361 WeakPolarHBondContact CA-O 3.38Å; I350-S361 PolarHBondContact N-O 3Å; I350-S361 PolarHBondContact O-N 3.41Å; I350-S361 VanDerWaalsContact O-N 3.11Å; S361-H363 WeakPolarHBondContact CB-O 3.41Å; S361-H363 PolarHBondContact OG-N 3.15Å; S361-H363 PolarHBondContact OG-O 3.12Å
362R83.4Confident87.7Confident126 Ų12648.1 Ų48.148%0.47526%0.26SS..SBendtrans-70.3-22.2166.7-62.1-175.5-173-84.7-0.2112.7W360 P591W360-R362 HydrophobicContact CH2-CG 4.07Å; R362-P591 WeakPolarHBondContact CD-O 3.35Å; R362-P591 PolarHBondContact NE-O 2.87Å
363H84.4Confident87.7Confident58 Ų5851.7 Ų51.727%0.26928%0.278SS..SBendtrans-111.6148.4-173.2-63.4-97.5000111.4Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 3.18Å; S361-H363 WeakPolarHBondContact CB-O 3.41Å; S361-H363 PolarHBondContact OG-N 3.15Å; S361-H363 PolarHBondContact OG-O 3.12Å; H363-V365 PolarHBondContact O-N 3.26Å; H363-K410 PolarHBondContact ND1-NZ 3.05Å; H363-D592 IonicContact CD2-OD1 3.69Å; H363-D592 IonicContact CE1-OD1 3.77Å; H363-D592 IonicContact NE2-OD1 3.77Å; H363-D592 PolarHBondContact NE2-OD1 3Å
364A87.8Confident87.7Confident83 Ų8349.3 Ų49.369%0.68627%0.265SS*.  trans-62.9118172.200000111.2I350 Y352I350-A364 HydrophobicContact CD1-CB 4.18Å; Y352-A364 WeakPolarHBondContact OH-CA 3.32Å
365V89.6Confident87.2Confident10 Ų1047.9 Ų47.96%0.06126%0.26CS..  trans-108.2119.3173-177.30000109.4Y352 H363 F401 P404 H405 L594Y352-V365 HydrophobicContact CE2-CB 4.29Å; Y352-V365 PolarHBondContact OH-N 3.01Å; H363-V365 PolarHBondContact O-N 3.26Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.28Å; V365-F401 WeakPolarHBondContact CG1-O 3.4Å; V365-P404 HydrophobicContact CG1-CG 4.35Å; V365-H405 HydrophobicContact CG1-CB 4.47Å; V365-H405 HydrophobicContact CG2-CB 4.37Å; V365-L594 HydrophobicContact CG1-CD2 4.48Å; V365-L594 HydrophobicContact CG2-CD1 4.24Å; V365-L594 HydrophobicContact CG2-CD2 4.38Å
366V90.3Very high87.1Confident119 Ų11947.1 Ų47.172%0.72126%0.264SS*.PPolyproline II helixtrans-91.7118171.7-178.80000108P404V366-P404 WeakPolarHBondContact O-CG 3.49Å
367P92Very high87.2Confident33 Ų3345.5 Ų45.521%0.21425%0.246CC..PPolyproline II helixtrans-75.4136.1-17828.3-32.9000112.1Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 4.06Å; Y355-P367 HydrophobicContact CE2-CG 3.99Å; P367-R400 CarbonylContact C-O 3.6Å; P367-R400 WeakPolarHBondContact CA-O 3.32Å; P367-R400 HydrophobicContact CB-CB 4.11Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.78Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.19Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.94Å; P367-F401 HydrophobicContact CG-CZ 4.42Å
368C91.6Very high87.2Confident5 Ų547 Ų473%0.03426%0.256CS..PPolyproline II helixtrans-85.6143.7170.763.80000111.4E373 R400C368-E373 HydrophobicContact CB-CB 3.7Å; C368-R400 PolarHBondContact N-O 2.84Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 WeakPolarHBondContact O-CB 3.5Å; C368-R400 WeakPolarHBondContact O-CG 3.5Å; C368-R400 PolarHBondContact SG-O 3.3Å; C368-R400 VanDerWaalsContact SG-O 3.41Å
369Y88.4Confident87.1Confident109 Ų10951.9 Ų51.943%0.42729%0.286SS..SBendtrans-81-33.5176-171.3-97.1000112.9E373 R394 A395 R400Y369-E373 WeakPolarHBondContact CB-OE2 3.39Å; Y369-E373 PolarHBondContact N-OE2 3.16Å; Y369-R394 HydrophobicContact CE1-CB 4.03Å; Y369-A395 PolarHBondContact O-N 3.45Å; Y369-R400 VanDerWaalsContact CD2-NH1 3.33Å
370G86.2Confident87Confident8 Ų854.8 Ų54.88%0.08230%0.301CS..SBendtrans-150.7180-178.900000113.5T372 E373G370-T372 PolarHBondContact O-N 2.88Å; G370-E373 PolarHBondContact O-N 3.4Å
371L84.1Confident87.1Confident9 Ų953.6 Ų53.65%0.04730%0.297CS..THydrogen-bonded Turntrans-60.7-27.9-177.2-77.3169000114.1E373 A374 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.3Å; L371-E373 PolarHBondContact O-N 2.87Å; L371-A374 PolarHBondContact O-N 3.44Å; L371-R382 HydrophobicContact CB-CG 4.42Å; L371-R382 PolarHBondContact O-NE 2.92Å; L371-R382 PolarHBondContact O-NH1 2.87Å; L371-R382 PolarHBondContact O-NH2 2.95Å; L371-M385 HydrophobicContact CD1-CB 4.1Å; L371-M385 HydrophobicContact CD2-CE 3.56Å; L371-M385 HydrophobicContact CD2-SD 3.66Å; L371-Q386 HydrophobicContact CD1-CG 4.24Å; L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.02Å; L371-W403 HydrophobicContact CD2-CE3 4.14Å; L371-W403 HydrophobicContact CD2-CH2 3.46Å; L371-W403 VanDerWaalsContact CD2-CH2 3.46Å; L371-W403 HydrophobicContact CD2-CZ2 4.13Å; L371-W403 HydrophobicContact CD2-CZ3 3.46Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.46Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.87Å
372T82.9Confident87.1Confident106 Ų10656.2 Ų56.265%0.6531%0.307SS*.THydrogen-bonded Turntrans-60.9-39.3177.838.90000112.5G370 R382G370-T372 PolarHBondContact O-N 2.88Å; T372-R382 PolarHBondContact O-NH1 3.46Å; T372-R382 PolarHBondContact O-NH2 2.97Å
373E84.4Confident87.3Confident106 Ų10657.2 Ų57.250%0.49531%0.31SS..SBendtrans-90.7-7.4-175.1-68.5160.4-133.600113.6C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.7Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.39Å; Y369-E373 PolarHBondContact N-OE2 3.16Å; G370-E373 PolarHBondContact O-N 3.4Å; L371-E373 VanDerWaalsContact C-N 3.3Å; L371-E373 PolarHBondContact O-N 2.87Å; E373-P375 VanDerWaalsContact O-CD 3.27Å; E373-P375 WeakPolarHBondContact O-CD 3.33Å
374A83.1Confident87.7Confident0 Ų054.5 Ų54.50%030%0.298CS..SBendtrans-75.5109.717900000110.3L371 I377 R382 W403L371-A374 PolarHBondContact O-N 3.44Å; A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.28Å; A374-R382 PolarHBondContact O-NH2 3.46Å; A374-W403 HydrophobicContact CB-CB 4.1Å; A374-W403 HydrophobicContact CB-CE3 4Å
375P74.4Confident87.9Confident49 Ų4950.5 Ų50.532%0.31827%0.265SS..THydrogen-bonded Turntrans-64.1148.3-176.328.7-34.6000110.9E373 I377 P404 S407E373-P375 VanDerWaalsContact O-CD 3.27Å; E373-P375 WeakPolarHBondContact O-CD 3.33Å; P375-I377 PolarHBondContact O-N 3.46Å; P375-P404 HydrophobicContact CG-CB 3.78Å; P375-S407 WeakPolarHBondContact O-CB 3.49Å; P375-S407 PolarHBondContact O-OG 3.33Å
376D83.6Confident87.8Confident101 Ų10155 Ų5554%0.5429%0.285SS..THydrogen-bonded Turntrans59.86173-46.5-38.5000117.3Q432D376-Q432 PolarHBondContact O-NE2 2.67Å; D376-Q432 PolarHBondContact O-OE1 2.78Å
377I88.3Confident87.7Confident6 Ų654.9 Ų54.93%0.03128%0.277CS..  trans-83.2118.5164.3-54.2-173.7000109.2A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.84Å; A374-I377 HydrophobicContact CB-CG1 4.28Å; P375-I377 PolarHBondContact O-N 3.46Å; I377-I381 HydrophobicContact CG2-CB 4.1Å; I377-I381 HydrophobicContact CG2-CG2 3.54Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 3.32Å; I377-W403 HydrophobicContact CD1-CB 4.08Å; I377-W403 HydrophobicContact CD1-CD2 4.29Å; I377-W403 HydrophobicContact CD1-CG 3.99Å
378S90.1Very high87.5Confident32 Ų3255.9 Ų55.922%0.22428%0.279CS..  trans-64.8154-174.779.80000113.4I380 I381 R382S378-I380 PolarHBondContact O-N 3.39Å; S378-I381 PolarHBondContact O-N 2.85Å; S378-I381 WeakPolarHBondContact OG-CG1 2.99Å; S378-I381 PolarHBondContact OG-N 2.79Å; S378-R382 VanDerWaalsContact O-CG 3.27Å; S378-R382 WeakPolarHBondContact O-CG 3.26Å; S378-R382 PolarHBondContact O-N 2.95Å
379T89.6Confident87.3Confident105 Ų10557 Ų5764%0.64429%0.292SS*.Hα-helixtrans-60-31.8177.451.60000112.9R383T379-R383 PolarHBondContact O-N 2.78Å
380I91.1Very high87.2Confident60 Ų6052.7 Ų52.731%0.30828%0.277SS..Hα-helixtrans-66.6-50.4175.8-60.9174.7000110.4S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 3.39Å; I380-R382 PolarHBondContact O-N 2.9Å; I380-R383 WeakPolarHBondContact O-CB 3.4Å; I380-R383 PolarHBondContact O-N 3.5Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I380-A384 PolarHBondContact O-N 3.1Å; I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.64Å; I380-L473 WeakPolarHBondContact CG2-O 3.39Å; I380-L474 HydrophobicContact CB-CD2 4.06Å; I380-L474 HydrophobicContact CD1-CD2 4.27Å; I380-L474 HydrophobicContact CG2-CD2 3.81Å; I380-L474 HydrophobicContact CG2-CG 4.24Å
381I92.4Very high87Confident0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-64-41.6177.8-72.4-74.7000111I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.1Å; I377-I381 HydrophobicContact CG2-CG2 3.54Å; S378-I381 PolarHBondContact O-N 2.85Å; S378-I381 WeakPolarHBondContact OG-CG1 2.99Å; S378-I381 PolarHBondContact OG-N 2.79Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 2.8Å; I381-A384 PolarHBondContact O-N 3.35Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.98Å; I381-M385 WeakPolarHBondContact O-CB 3.43Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.38Å; I381-M385 PolarHBondContact O-N 2.86Å; I381-P428 HydrophobicContact CG2-CB 3.7Å; I381-Q432 HydrophobicContact CD1-CB 4.48Å; I381-Q432 HydrophobicContact CG1-CB 4.07Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; I381-L470 HydrophobicContact CD1-CB 3.99Å; I381-L470 HydrophobicContact CD1-CD2 4.08Å; I381-L470 WeakPolarHBondContact CD1-O 3.41Å; I381-L470 HydrophobicContact CG2-CD2 4.3Å; I381-L474 HydrophobicContact CD1-CD1 4Å; I381-L474 HydrophobicContact CD1-CG 4.37Å; I381-L474 HydrophobicContact CG1-CD1 4.36Å; I381-L474 HydrophobicContact CG1-CD2 4.3Å
382R90.9Very high86.6Confident56 Ų5662.2 Ų62.221%0.21131%0.314CS..Hα-helixtrans-56-41.1173.1-68.4172.1-171-155-9.1111.6L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CB-CG 4.42Å; L371-R382 PolarHBondContact O-NE 2.92Å; L371-R382 PolarHBondContact O-NH1 2.87Å; L371-R382 PolarHBondContact O-NH2 2.95Å; T372-R382 PolarHBondContact O-NH1 3.46Å; T372-R382 PolarHBondContact O-NH2 2.97Å; A374-R382 PolarHBondContact O-NH2 3.46Å; I377-R382 HydrophobicContact CG2-CG 3.98Å; I377-R382 PolarHBondContact O-NE 3.32Å; S378-R382 VanDerWaalsContact O-CG 3.27Å; S378-R382 WeakPolarHBondContact O-CG 3.26Å; S378-R382 PolarHBondContact O-N 2.95Å; I380-R382 PolarHBondContact O-N 2.9Å; R382-M385 PolarHBondContact O-N 2.93Å; R382-Q386 VanDerWaalsContact O-CG 3.29Å; R382-Q386 WeakPolarHBondContact O-CG 3.39Å; R382-Q386 PolarHBondContact O-N 2.85Å
383R88.9Confident86.3Confident147 Ų14762.3 Ų62.356%0.55532%0.319SS*.Hα-helixtrans-66.5-45.3176.5-173.9-176.5-68.3151.2-2.9112.2T379 I380 I381 M385 Q386 Q387 L473T379-R383 PolarHBondContact O-N 2.78Å; I380-R383 WeakPolarHBondContact O-CB 3.4Å; I380-R383 PolarHBondContact O-N 3.5Å; I380-R383 VanDerWaalsContact O-N 3.14Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 2.8Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 2.73Å; R383-Q386 PolarHBondContact O-N 3.38Å; R383-Q387 WeakPolarHBondContact O-CG 3.39Å; R383-Q387 PolarHBondContact O-N 3.23Å; R383-L473 HydrophobicContact CG-CD1 4.49Å
384A91.1Very high86.4Confident0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-58.2-45.2174.800000111.5I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.1Å; I381-A384 PolarHBondContact O-N 3.35Å; A384-Q386 PolarHBondContact O-N 3.48Å; A384-Q387 PolarHBondContact O-N 3.41Å; A384-M388 HydrophobicContact CB-CE 4.2Å; A384-M388 WeakPolarHBondContact O-CE 3.46Å; A384-M388 PolarHBondContact O-N 3.23Å; A384-M388 VanDerWaalsContact O-N 3.1Å; A384-L470 HydrophobicContact CB-CD2 3.98Å; A384-L473 HydrophobicContact CB-CD1 3.78Å; A384-L473 HydrophobicContact CB-CG 4.28Å
385M91.9Very high86.8Confident0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-58.9-44.2175.9-70.9178.478.900112.3L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.1Å; L371-M385 HydrophobicContact CD2-CE 3.56Å; L371-M385 HydrophobicContact CD2-SD 3.66Å; I381-M385 HydrophobicContact CG2-CG 4.36Å; I381-M385 HydrophobicContact CG2-SD 3.98Å; I381-M385 WeakPolarHBondContact O-CB 3.43Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.38Å; I381-M385 PolarHBondContact O-N 2.86Å; R382-M385 PolarHBondContact O-N 2.93Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 2.73Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.8Å; M385-G389 PolarHBondContact O-N 3.3Å; M385-V390 HydrophobicContact CB-CB 4.13Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.28Å; M385-V390 PolarHBondContact O-N 2.85Å; M385-W403 HydrophobicContact CE-CH2 4.02Å; M385-W403 HydrophobicContact CE-CZ2 3.52Å; M385-W424 HydrophobicContact CE-CE3 4.18Å; M385-W424 HydrophobicContact CE-CZ3 4.46Å; M385-W424 HydrophobicContact CG-CZ3 4.14Å; M385-P428 HydrophobicContact CE-CB 4.16Å; M385-P428 HydrophobicContact CE-CG 3.39Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.57Å; M385-P428 VanDerWaalsContact SD-CB 3.57Å; M385-P428 HydrophobicContact SD-CG 3.48Å; M385-P428 WeakPolarHBondContact SD-CG 3.41Å; M385-L470 HydrophobicContact CG-CD2 3.91Å
386Q88.7Confident87.6Confident103 Ų10368.3 Ų68.348%0.48133%0.331SS..Hα-helixtrans-63.1-41.6177.1-74.8169.8-20.400112.7L371 R382 R383 A384 M388 G389L371-Q386 HydrophobicContact CD1-CG 4.24Å; R382-Q386 VanDerWaalsContact O-CG 3.29Å; R382-Q386 WeakPolarHBondContact O-CG 3.39Å; R382-Q386 PolarHBondContact O-N 2.85Å; R383-Q386 PolarHBondContact O-N 3.38Å; A384-Q386 PolarHBondContact O-N 3.48Å; Q386-M388 PolarHBondContact O-N 3.47Å; Q386-G389 WeakPolarHBondContact O-CA 3.48Å; Q386-G389 PolarHBondContact O-N 3.46Å
387Q87.8Confident88Confident118 Ų11864.6 Ų64.655%0.55131%0.314SS*.Hα-helixtrans-59.9-43.9175.5-73174.9-15.800111.6R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.39Å; R383-Q387 PolarHBondContact O-N 3.23Å; A384-Q387 PolarHBondContact O-N 3.41Å; Q387-G389 PolarHBondContact O-N 3.22Å; Q387-G389 VanDerWaalsContact O-N 3.14Å
388M88.4Confident88.2Confident54 Ų5464.3 Ų64.327%0.26631%0.312SS..THydrogen-bonded Turntrans-72.13.2173.1-70179.2-79.200114.4A384 M385 Q386 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.2Å; A384-M388 WeakPolarHBondContact O-CE 3.46Å; A384-M388 PolarHBondContact O-N 3.23Å; A384-M388 VanDerWaalsContact O-N 3.1Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.8Å; Q386-M388 PolarHBondContact O-N 3.47Å; M388-V390 VanDerWaalsContact C-N 3.27Å; M388-V390 HydrophobicContact CB-CG2 4.2Å; M388-V390 PolarHBondContact O-N 2.96Å; M388-W424 HydrophobicContact CE-CH2 3.64Å; M388-W424 HydrophobicContact CE-CZ3 4.34Å; M388-W424 HydrophobicContact SD-CH2 3.73Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; M388-T469 HydrophobicContact CE-CG2 3.83Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; M388-L470 HydrophobicContact CE-CD2 3.66Å; M388-L470 HydrophobicContact CE-CG 3.88Å
389G86.4Confident88.4Confident29 Ų2962.8 Ų62.830%0.29930%0.302SS..THydrogen-bonded Turntrans74.211.3179.500000115.3M385 Q386 Q387 A391M385-G389 PolarHBondContact O-N 3.3Å; Q386-G389 WeakPolarHBondContact O-CA 3.48Å; Q386-G389 PolarHBondContact O-N 3.46Å; Q387-G389 PolarHBondContact O-N 3.22Å; Q387-G389 VanDerWaalsContact O-N 3.14Å; G389-A391 PolarHBondContact O-N 3.28Å
390V86.6Confident88.6Confident18 Ų1858.4 Ų58.411%0.10927%0.274CS..THydrogen-bonded Turntrans-73.9124.7177.7-1750000109.4M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.13Å; M385-V390 HydrophobicContact CE-CB 4.37Å; M385-V390 HydrophobicContact CE-CG1 3.64Å; M385-V390 WeakPolarHBondContact O-CB 3.28Å; M385-V390 PolarHBondContact O-N 2.85Å; M388-V390 VanDerWaalsContact C-N 3.27Å; M388-V390 HydrophobicContact CB-CG2 4.2Å; M388-V390 PolarHBondContact O-N 2.96Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 3.1Å; V390-W424 HydrophobicContact CG1-CD2 4.26Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 3.95Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.83Å; V390-W424 HydrophobicContact CG2-CZ3 4Å
391A81.7Confident88.8Confident20 Ų2055.6 Ų55.617%0.16526%0.259CS..THydrogen-bonded Turntrans51.937.2176.300000115.8L371 G389 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.02Å; G389-A391 PolarHBondContact O-N 3.28Å; A391-S393 PolarHBondContact O-N 3.41Å; A391-R394 WeakPolarHBondContact CA-O 3.33Å; A391-R394 WeakPolarHBondContact CB-O 3.35Å; A391-W403 HydrophobicContact CB-CH2 3.74Å; A391-W403 HydrophobicContact CB-CZ3 4.41Å
392R76.1Confident88.9Confident197 Ų19755.6 Ų55.674%0.74326%0.259SS*.SBendtrans-46.7-36.6176.8-76.2-176.4175.4167.34.6114.6V390V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 3.1Å
393S77.3Confident89.1Confident107 Ų10752.9 Ų52.975%0.74825%0.249SC*.SBendtrans-120.3-29.8179.357.80000114.5A391A391-S393 PolarHBondContact O-N 3.41Å
394R86.6Confident89.3Confident150 Ų15046.5 Ų46.557%0.56623%0.227SC*.SBendtrans-163.4154178.864.1-171.6-177.3-177.40.4111.8Y369 A391Y369-R394 HydrophobicContact CE1-CB 4.03Å; A391-R394 WeakPolarHBondContact CA-O 3.33Å; A391-R394 WeakPolarHBondContact CB-O 3.35Å
395A90.8Very high89.3Confident2 Ų246.8 Ų46.82%0.01723%0.228CC..  trans-68.4143.8169.600000111Y369 Q399 R400 W403Y369-A395 PolarHBondContact O-N 3.45Å; A395-Q399 HydrophobicContact CB-CB 4.4Å; A395-R400 HydrophobicContact CB-CG 3.91Å; A395-R400 PolarHBondContact O-NE 3.41Å; A395-R400 PolarHBondContact O-NH2 3.18Å; A395-R400 VanDerWaalsContact O-NH2 3.17Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.99Å; A395-W403 HydrophobicContact CB-CZ3 3.49Å; A395-W403 VanDerWaalsContact CB-CZ3 3.49Å
396R91.8Very high89.4Confident130 Ų13046.8 Ų46.849%0.49123%0.228SC..  trans-72.2155.4174.4-59.5-178.7172.4-169.3-9.1110.7V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 3.02Å; R396-Q399 HydrophobicContact CB-CG 4.23Å; R396-Q399 VanDerWaalsContact N-OE1 3.11Å; R396-Q399 WeakPolarHBondContact O-CA 3.43Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.4Å; R396-Q399 PolarHBondContact O-N 3Å; R396-R400 WeakPolarHBondContact O-CG 3.46Å; R396-R400 PolarHBondContact O-N 2.99Å; R396-Q419 PolarHBondContact NH1-O 3.33Å; R396-I420 WeakPolarHBondContact CD-O 3.36Å; R396-I420 VanDerWaalsContact NH1-C 3.35Å; R396-I420 PolarHBondContact NH1-O 3.11Å
397A90.9Very high89.5Confident22 Ų2242.1 Ų42.118%0.18221%0.206CC..Hα-helixtrans-50.4-51.5-164.800000114.2Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.21Å; V357-A397 HydrophobicContact CG2-CB 3.48Å; V357-A397 VanDerWaalsContact CG2-CB 3.48Å; A397-Q399 PolarHBondContact O-N 3.26Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; A397-R400 PolarHBondContact O-N 2.92Å; A397-F401 WeakPolarHBondContact O-CD2 3.28Å
398V93.5Very high89.5Confident0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-65.9-35.4176.7-66.70000113.7V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.25Å; V357-V398 HydrophobicContact CG2-CG1 3.65Å; R396-V398 PolarHBondContact O-N 3.02Å; V398-R400 PolarHBondContact O-N 2.79Å; V398-F401 PolarHBondContact O-N 3.48Å; V398-A402 WeakPolarHBondContact O-CB 3.33Å; V398-A402 PolarHBondContact O-N 2.91Å; V398-V414 HydrophobicContact CB-CG1 4.05Å; V398-V414 HydrophobicContact CG1-CG1 4.06Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V398-I420 HydrophobicContact CG1-CD1 4.48Å; V398-I420 HydrophobicContact CG2-CD1 4.48Å; V398-L596 HydrophobicContact CB-CD1 4.14Å; V398-L596 HydrophobicContact CG1-CB 4.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.45Å; V398-D598 HydrophobicContact CG1-CB 3.78Å
399Q94.2Very high89.5Confident1 Ų138.5 Ų38.51%0.00519%0.193CC..Hα-helixtrans-63.9-31.9-179.2-63.9170.5-18.500112A395 R396 A397 F401 A402 W403 G421 W424A395-Q399 HydrophobicContact CB-CB 4.4Å; R396-Q399 HydrophobicContact CB-CG 4.23Å; R396-Q399 VanDerWaalsContact N-OE1 3.11Å; R396-Q399 WeakPolarHBondContact O-CA 3.43Å; R396-Q399 VanDerWaalsContact O-CB 3.31Å; R396-Q399 WeakPolarHBondContact O-CB 3.4Å; R396-Q399 PolarHBondContact O-N 3Å; A397-Q399 PolarHBondContact O-N 3.26Å; Q399-F401 PolarHBondContact O-N 2.91Å; Q399-A402 PolarHBondContact O-N 3.21Å; Q399-W403 HydrophobicContact CB-CD2 4.07Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.32Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.1Å; Q399-W403 WeakPolarHBondContact O-CB 3.38Å; Q399-W403 PolarHBondContact O-N 3.17Å; Q399-G421 PolarHBondContact NE2-O 3.44Å; Q399-W424 VanDerWaalsContact NE2-CB 3.28Å
400R93.6Very high89.8Confident13 Ų1338.3 Ų38.35%0.04918%0.184CC..Hα-helixtrans-55-38.3177.2-60.6-179.5175.9-130.8-23.3112.8P367 C368 Y369 A395 R396 A397 V398 P404P367-R400 CarbonylContact C-O 3.6Å; P367-R400 WeakPolarHBondContact CA-O 3.32Å; P367-R400 HydrophobicContact CB-CB 4.11Å; C368-R400 PolarHBondContact N-O 2.84Å; C368-R400 WeakPolarHBondContact O-CA 3.42Å; C368-R400 WeakPolarHBondContact O-CB 3.5Å; C368-R400 WeakPolarHBondContact O-CG 3.5Å; C368-R400 PolarHBondContact SG-O 3.3Å; C368-R400 VanDerWaalsContact SG-O 3.41Å; Y369-R400 VanDerWaalsContact CD2-NH1 3.33Å; A395-R400 HydrophobicContact CB-CG 3.91Å; A395-R400 PolarHBondContact O-NE 3.41Å; A395-R400 PolarHBondContact O-NH2 3.18Å; A395-R400 VanDerWaalsContact O-NH2 3.17Å; R396-R400 WeakPolarHBondContact O-CG 3.46Å; R396-R400 PolarHBondContact O-N 2.99Å; A397-R400 WeakPolarHBondContact O-CB 3.43Å; A397-R400 PolarHBondContact O-N 2.92Å; V398-R400 PolarHBondContact O-N 2.79Å; R400-P404 WeakPolarHBondContact O-CD 3.42Å; R400-P404 WeakPolarHBondContact O-CG 3.21Å
401F94.6Very high90.1Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-93.7-36.9178.9-59.9-87.1000112Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 P404 L594 L596Y352-F401 HydrophobicContact CD1-CE1 4.3Å; Y352-F401 HydrophobicContact CG-CE1 4.07Å; N354-F401 HydrophobicContact CB-CZ 4.13Å; Y355-F401 HydrophobicContact CD2-CE2 4.11Å; Y355-F401 HydrophobicContact CD2-CZ 4.17Å; V357-F401 HydrophobicContact CB-CE2 4.22Å; V357-F401 HydrophobicContact CG1-CD2 4.25Å; V357-F401 HydrophobicContact CG1-CE2 4.23Å; V365-F401 HydrophobicContact CG1-CB 4.26Å; V365-F401 HydrophobicContact CG1-CD1 4.28Å; V365-F401 WeakPolarHBondContact CG1-O 3.4Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.78Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.19Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.94Å; P367-F401 HydrophobicContact CG-CZ 4.42Å; A397-F401 WeakPolarHBondContact O-CD2 3.28Å; V398-F401 PolarHBondContact O-N 3.48Å; Q399-F401 PolarHBondContact O-N 2.91Å; F401-P404 WeakPolarHBondContact O-CG 3.28Å; F401-L594 HydrophobicContact CB-CD2 4.08Å; F401-L594 WeakPolarHBondContact O-CD2 3.31Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.4Å; F401-L596 HydrophobicContact CG-CD2 4.21Å
402A95.2Very high90.8Very high0 Ų036.6 Ų36.60%017%0.172CC..Hα-helixtrans-68.8-46.8-175.400000112.9V398 Q399 H405 V406 V412 L596V398-A402 WeakPolarHBondContact O-CB 3.33Å; V398-A402 PolarHBondContact O-N 2.91Å; Q399-A402 PolarHBondContact O-N 3.21Å; A402-H405 PolarHBondContact O-N 2.96Å; A402-H405 VanDerWaalsContact O-N 3.15Å; A402-V406 VanDerWaalsContact O-CB 3.31Å; A402-V406 WeakPolarHBondContact O-CB 3.48Å; A402-V406 WeakPolarHBondContact O-CG2 3.35Å; A402-V406 PolarHBondContact O-N 3.47Å; A402-V412 HydrophobicContact CB-CG2 4.4Å; A402-L596 HydrophobicContact CB-CD1 3.91Å
403W94.7Very high91.8Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-54.8-54.8-178.8-67.9-19.3000113.6L371 A374 I377 M385 A391 A395 Q399 H405 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.14Å; L371-W403 HydrophobicContact CD2-CH2 3.46Å; L371-W403 VanDerWaalsContact CD2-CH2 3.46Å; L371-W403 HydrophobicContact CD2-CZ2 4.13Å; L371-W403 HydrophobicContact CD2-CZ3 3.46Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.46Å; L371-W403 HydrophobicContact CG-CH2 3.94Å; L371-W403 HydrophobicContact CG-CZ3 3.87Å; A374-W403 HydrophobicContact CB-CB 4.1Å; A374-W403 HydrophobicContact CB-CE3 4Å; I377-W403 HydrophobicContact CD1-CB 4.08Å; I377-W403 HydrophobicContact CD1-CD2 4.29Å; I377-W403 HydrophobicContact CD1-CG 3.99Å; M385-W403 HydrophobicContact CE-CH2 4.02Å; M385-W403 HydrophobicContact CE-CZ2 3.52Å; A391-W403 HydrophobicContact CB-CH2 3.74Å; A391-W403 HydrophobicContact CB-CZ3 4.41Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.99Å; A395-W403 HydrophobicContact CB-CZ3 3.49Å; A395-W403 VanDerWaalsContact CB-CZ3 3.49Å; Q399-W403 HydrophobicContact CB-CD2 4.07Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.32Å; Q399-W403 HydrophobicContact CB-CZ2 3.87Å; Q399-W403 HydrophobicContact CG-CZ2 4.1Å; Q399-W403 WeakPolarHBondContact O-CB 3.38Å; Q399-W403 PolarHBondContact O-N 3.17Å; W403-H405 PolarHBondContact O-N 3.21Å; W403-S407 WeakPolarHBondContact O-CB 3.47Å; W403-S407 PolarHBondContact O-N 3.19Å; W403-S407 VanDerWaalsContact O-N 3.07Å; W403-S407 PolarHBondContact O-OG 2.79Å; W403-W424 PolarHBondContact NE1-O 3.22Å
404P92.8Very high92.7Very high13 Ų1322.1 Ų22.18%0.08410%0.101CC..Hα-helixtrans-66.1-16.5179.324.9-34.5000114.8V365 V366 P375 R400 F401 L408V365-P404 HydrophobicContact CG1-CG 4.35Å; V366-P404 WeakPolarHBondContact O-CG 3.49Å; P375-P404 HydrophobicContact CG-CB 3.78Å; R400-P404 WeakPolarHBondContact O-CD 3.42Å; R400-P404 WeakPolarHBondContact O-CG 3.21Å; F401-P404 WeakPolarHBondContact O-CG 3.28Å; P404-L408 WeakPolarHBondContact O-CD1 3.25Å; P404-L408 WeakPolarHBondContact O-CG 3.37Å
405H92.9Very high93.1Very high5 Ų515 Ų152%0.0237%0.074CC..Hα-helixtrans-92.3-45.2178-176.189.6000111.9V365 A402 W403 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.47Å; V365-H405 HydrophobicContact CG2-CB 4.37Å; A402-H405 PolarHBondContact O-N 2.96Å; A402-H405 VanDerWaalsContact O-N 3.15Å; W403-H405 PolarHBondContact O-N 3.21Å; H405-L408 PolarHBondContact O-N 3.27Å; H405-K410 VanDerWaalsContact CE1-CB 3.45Å; H405-K410 WeakPolarHBondContact CE1-CB 3.37Å; H405-K410 WeakPolarHBondContact NE2-CB 3.42Å; H405-S411 PolarHBondContact CD2-O 3Å; H405-S411 PolarHBondContact NE2-O 3.11Å; H405-D592 PolarHBondContact CE1-O 3.22Å; H405-D592 PolarHBondContact NE2-O 3.32Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 WeakPolarHBondContact CD2-CB 3.49Å; H405-L594 VanDerWaalsContact NE2-CB 3.27Å; H405-L594 WeakPolarHBondContact NE2-CB 3.43Å; H405-L594 PolarHBondContact NE2-N 3.14Å
406V93.2Very high93.2Very high0 Ų014.9 Ų14.90%07%0.073CC..Hα-helixtrans-67.5-38-179.4173.70000111A402 L408 G409 V412 T429 R433 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.31Å; A402-V406 WeakPolarHBondContact O-CB 3.48Å; A402-V406 WeakPolarHBondContact O-CG2 3.35Å; A402-V406 PolarHBondContact O-N 3.47Å; V406-L408 PolarHBondContact O-N 2.81Å; V406-L408 VanDerWaalsContact O-N 3.17Å; V406-G409 PolarHBondContact O-N 3.14Å; V406-G409 VanDerWaalsContact O-N 3.1Å; V406-V412 HydrophobicContact CG2-CB 3.78Å; V406-V412 HydrophobicContact CG2-CG1 3.57Å; V406-V412 HydrophobicContact CG2-CG2 4.37Å; V406-T429 HydrophobicContact CG1-CG2 4.01Å; V406-R433 PolarHBondContact O-NH1 2.91Å; V406-Q569 PolarHBondContact O-NE2 2.78Å; V406-L571 HydrophobicContact CG1-CD2 3.98Å; V406-L571 HydrophobicContact CG2-CD2 4.19Å
407S89.8Confident93Very high5 Ų511.8 Ų11.84%0.0357%0.066CC..THydrogen-bonded Turntrans-66.2-11.6177.270.50000114.5P375 W403 R433P375-S407 WeakPolarHBondContact O-CB 3.49Å; P375-S407 PolarHBondContact O-OG 3.33Å; W403-S407 WeakPolarHBondContact O-CB 3.47Å; W403-S407 PolarHBondContact O-N 3.19Å; W403-S407 VanDerWaalsContact O-N 3.07Å; W403-S407 PolarHBondContact O-OG 2.79Å; S407-R433 VanDerWaalsContact C-NH2 3.26Å; S407-R433 PolarHBondContact O-NH2 3.35Å
408L88.6Confident92.5Very high89 Ų8915.3 Ų15.347%0.4668%0.081SC..THydrogen-bonded Turntrans-97.57.1173.4-63.1177.1000114.7P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 3.25Å; P404-L408 WeakPolarHBondContact O-CG 3.37Å; H405-L408 PolarHBondContact O-N 3.27Å; V406-L408 PolarHBondContact O-N 2.81Å; V406-L408 VanDerWaalsContact O-N 3.17Å
409G88.8Confident91.9Very high7 Ų723.6 Ų23.67%0.07212%0.12CC..THydrogen-bonded Turntrans93.4-4.2178.600000114.7V406 R433 Q569V406-G409 PolarHBondContact O-N 3.14Å; V406-G409 VanDerWaalsContact O-N 3.1Å; G409-R433 VanDerWaalsContact CA-NH1 3.32Å; G409-Q569 WeakPolarHBondContact O-CG 3.33Å
410K91.7Very high91.4Very high25 Ų2524.6 Ų24.611%0.10913%0.125CC..  trans-87.5138.4-170.8-59.3-177.3180-174.60112.1H363 H405 Q565 Q569H363-K410 PolarHBondContact ND1-NZ 3.05Å; H405-K410 VanDerWaalsContact CE1-CB 3.45Å; H405-K410 WeakPolarHBondContact CE1-CB 3.37Å; H405-K410 WeakPolarHBondContact NE2-CB 3.42Å; K410-Q565 VanDerWaalsContact CE-NE2 3.28Å; K410-Q565 HydrophobicContact CG-CG 3.82Å; K410-Q569 PolarHBondContact O-NE2 3.19Å
411S94.4Very high91.2Very high3 Ų324.3 Ų24.32%0.02113%0.127CC..  trans-63.2149.3-179.6-61.40000112H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 3Å; H405-S411 PolarHBondContact NE2-O 3.11Å; S411-L570 WeakPolarHBondContact CA-O 3.29Å; S411-L570 WeakPolarHBondContact CB-O 3.38Å; S411-L570 PolarHBondContact OG-N 2.57Å; S411-L570 VanDerWaalsContact OG-N 3.15Å; S411-L570 PolarHBondContact OG-O 2.75Å; S411-V593 WeakPolarHBondContact O-CA 3.34Å; S411-L594 PolarHBondContact O-N 3.05Å
412V95.8Very high91.1Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-136.9140.6-18076.90000111.2A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.4Å; V406-V412 HydrophobicContact CG2-CB 3.78Å; V406-V412 HydrophobicContact CG2-CG1 3.57Å; V406-V412 HydrophobicContact CG2-CG2 4.37Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.9Å; V412-Y426 HydrophobicContact CG1-CD1 4.1Å; V412-L570 PolarHBondContact N-O 2.71Å; V412-L571 HydrophobicContact CG1-CD2 3.77Å; V412-V572 PolarHBondContact O-N 3.3Å; V412-M590 VanDerWaalsContact O-CE 3.29Å; V412-M590 WeakPolarHBondContact O-CE 3.49Å; V412-L594 WeakPolarHBondContact CA-O 3.35Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.26Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.41Å; V412-L596 HydrophobicContact CG2-CD1 4.46Å
413L96.4Very high91.1Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-121.7113.6171.817258.9000108.8V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.17Å; L413-V415 HydrophobicContact CG-CG2 4.3Å; L413-V572 CarbonylContact C-O 3.54Å; L413-V572 WeakPolarHBondContact CA-O 3.38Å; L413-V572 HydrophobicContact CD1-CB 3.7Å; L413-V572 HydrophobicContact CD1-CG1 3.58Å; L413-W577 HydrophobicContact CD2-CH2 4.14Å; L413-W577 HydrophobicContact CD2-CZ3 3.65Å; L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.04Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L413-L587 HydrophobicContact CD2-CD2 3.95Å; L413-M590 HydrophobicContact CB-CE 4.28Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L413-L594 PolarHBondContact N-O 2.79Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.45Å; L413-V595 HydrophobicContact CG-CG1 4.36Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.48Å; L413-L596 PolarHBondContact O-N 3.29Å
414V96.8Very high91.1Very high0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-112.5118.4-178.1-169.60000110.6V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.05Å; V398-V414 HydrophobicContact CG1-CG1 4.06Å; V398-V414 HydrophobicContact CG2-CG1 4.16Å; V412-V414 HydrophobicContact CG1-CG2 4.37Å; V412-V414 HydrophobicContact CG2-CG2 3.9Å; V414-K422 HydrophobicContact CB-CD 4.5Å; V414-K422 HydrophobicContact CB-CG 4.46Å; V414-K422 HydrophobicContact CG1-CB 4.37Å; V414-K422 HydrophobicContact CG1-CD 4.21Å; V414-K422 HydrophobicContact CG1-CG 3.89Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; V414-V572 PolarHBondContact N-O 2.91Å; V414-S573 CarbonylContact O-C 3.5Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; V414-G574 PolarHBondContact O-N 3.25Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.32Å
415V95.4Very high91.2Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-117133-179.6-179.50000110.7L413 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.17Å; L413-V415 HydrophobicContact CG-CG2 4.3Å; V415-W577 HydrophobicContact CG2-CE3 4.11Å; V415-L596 PolarHBondContact N-O 2.87Å; V415-F597 HydrophobicContact CB-CD1 3.99Å; V415-F597 HydrophobicContact CB-CE1 4.21Å; V415-F597 HydrophobicContact CG1-CD1 4.17Å; V415-F597 HydrophobicContact CG1-CE1 4.35Å; V415-F597 WeakPolarHBondContact O-CA 3.22Å; V415-D598 PolarHBondContact O-N 3.26Å; V415-E602 HydrophobicContact CG1-CB 4.29Å
416G92.1Very high91.3Very high0 Ų025.9 Ų25.90%013%0.133CC..  trans157.4-175173.200000112.8K422 G574 R575G416-K422 PolarHBondContact O-NZ 3.37Å; G416-G574 PolarHBondContact N-O 3.42Å; G416-G574 VanDerWaalsContact N-O 3.14Å; G416-R575 WeakPolarHBondContact O-CA 3.5Å
417N86.9Confident91.5Very high64 Ų6425.9 Ų25.934%0.34213%0.133SC..  trans-59.5172.5-168.2-65.3-72000114.9I420 K422 D599 K720N417-I420 HydrophobicContact CB-CG2 4.08Å; N417-K422 PolarHBondContact O-NZ 2.66Å; N417-D599 PolarHBondContact ND2-OD2 3.04Å; N417-D599 PolarHBondContact OD1-OD2 2.95Å; N417-K720 PolarHBondContact ND2-NZ 3.04Å; N417-K720 PolarHBondContact OD1-NZ 3.01Å
418L81.4Confident91.7Very high96 Ų9625.6 Ų25.650%0.50313%0.131SC..THydrogen-bonded Turntrans-58.9154.6167.5-84.7-180000111I420L418-I420 PolarHBondContact O-N 2.73Å
419Q80.9Confident91.9Very high174 Ų17421.7 Ų21.781%0.81311%0.11SC*.THydrogen-bonded Turntrans58.511.2172.3-57.5179.3-0.100116.7R396 G421R396-Q419 PolarHBondContact NH1-O 3.33Å; Q419-G421 PolarHBondContact O-N 3.06Å
420I83.6Confident92.2Very high23 Ų2321.6 Ų21.612%0.11811%0.109CC..SBendtrans-71.8-13.9173.869.9171000113.2R396 V398 N417 L418 K422 D598R396-I420 WeakPolarHBondContact CD-O 3.36Å; R396-I420 VanDerWaalsContact NH1-C 3.35Å; R396-I420 PolarHBondContact NH1-O 3.11Å; V398-I420 HydrophobicContact CG1-CD1 4.48Å; V398-I420 HydrophobicContact CG2-CD1 4.48Å; N417-I420 HydrophobicContact CB-CG2 4.08Å; L418-I420 PolarHBondContact O-N 2.73Å; I420-K422 HydrophobicContact CD1-CD 4.13Å; I420-K422 HydrophobicContact CD1-CG 3.64Å; I420-K422 HydrophobicContact CG1-CD 4.34Å; I420-K422 HydrophobicContact CG1-CG 3.5Å; I420-K422 VanDerWaalsContact CG1-CG 3.5Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.46Å
421G88.3Confident92.3Very high7 Ų720.4 Ų20.47%0.07210%0.104CC..  trans96.828.9179.800000114.7Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.44Å; Q419-G421 PolarHBondContact O-N 3.06Å; G421-W424 CarbonylContact O-C 3.57Å; G421-W424 PolarHBondContact O-N 3.34Å; G421-S425 PolarHBondContact O-N 3.37Å; G421-S425 VanDerWaalsContact O-N 3.12Å; G421-S425 PolarHBondContact O-OG 3.33Å
422K93.9Very high92.3Very high8 Ų821 Ų214%0.03511%0.106CC..SBendtrans-54.1-57.7178.9-61.2-163.5-69.2-91.60113V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574V414-K422 HydrophobicContact CB-CD 4.5Å; V414-K422 HydrophobicContact CB-CG 4.46Å; V414-K422 HydrophobicContact CG1-CB 4.37Å; V414-K422 HydrophobicContact CG1-CD 4.21Å; V414-K422 HydrophobicContact CG1-CG 3.89Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; G416-K422 PolarHBondContact O-NZ 3.37Å; N417-K422 PolarHBondContact O-NZ 2.66Å; I420-K422 HydrophobicContact CD1-CD 4.13Å; I420-K422 HydrophobicContact CD1-CG 3.64Å; I420-K422 HydrophobicContact CG1-CD 4.34Å; I420-K422 HydrophobicContact CG1-CG 3.5Å; I420-K422 VanDerWaalsContact CG1-CG 3.5Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 3.42Å; K422-S425 WeakPolarHBondContact O-CA 3.4Å; K422-S425 WeakPolarHBondContact O-CB 3.35Å; K422-S425 PolarHBondContact O-N 3.33Å; K422-S425 PolarHBondContact O-OG 3.05Å; K422-Y426 WeakPolarHBondContact O-CE1 3.32Å; K422-N538 WeakPolarHBondContact CE-OD1 3.43Å; K422-S573 VanDerWaalsContact CE-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.48Å; K422-G574 WeakPolarHBondContact CD-O 3.44Å; K422-G574 WeakPolarHBondContact CE-O 3.49Å; K422-G574 PolarHBondContact NZ-O 3.04Å; K422-G574 VanDerWaalsContact NZ-O 3.15Å
423T94.9Very high92Very high17 Ų1724.3 Ų24.310%0.10412%0.118CC..G310 helixtrans-53.2-46177.4-38.40000111.5S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 3.17Å; T423-S425 VanDerWaalsContact O-N 3.11Å; T423-Y426 PolarHBondContact O-N 2.95Å; T423-L427 HydrophobicContact CG2-CB 4.41Å; T423-L427 HydrophobicContact CG2-CD2 4.35Å; T423-L427 WeakPolarHBondContact O-CB 3.44Å; T423-L427 PolarHBondContact O-N 3.32Å; T423-F452 HydrophobicContact CG2-CZ 4.04Å; T423-I463 HydrophobicContact CG2-CD1 4.24Å; T423-I463 HydrophobicContact CG2-CG1 4.22Å; T423-W466 HydrophobicContact CG2-CZ3 4.27Å; T423-D537 WeakPolarHBondContact CB-OD2 3.15Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD1 3.03Å; T423-D537 PolarHBondContact OG1-OD2 3.2Å
424W94.6Very high91.9Very high25 Ų2524.5 Ų24.510%0.09512%0.12CC..G310 helixtrans-65.1-9.6175.7-76.9105.6000115.3M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.18Å; M385-W424 HydrophobicContact CE-CZ3 4.46Å; M385-W424 HydrophobicContact CG-CZ3 4.14Å; M388-W424 HydrophobicContact CE-CH2 3.64Å; M388-W424 HydrophobicContact CE-CZ3 4.34Å; M388-W424 HydrophobicContact SD-CH2 3.73Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; V390-W424 HydrophobicContact CG1-CD2 4.26Å; V390-W424 HydrophobicContact CG1-CE3 4.11Å; V390-W424 HydrophobicContact CG2-CD2 3.87Å; V390-W424 HydrophobicContact CG2-CE3 3.95Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.83Å; V390-W424 HydrophobicContact CG2-CZ3 4Å; Q399-W424 VanDerWaalsContact NE2-CB 3.28Å; W403-W424 PolarHBondContact NE1-O 3.22Å; G421-W424 CarbonylContact O-C 3.57Å; G421-W424 PolarHBondContact O-N 3.34Å; K422-W424 VanDerWaalsContact C-N 3.27Å; K422-W424 PolarHBondContact O-N 3.42Å; W424-Y426 PolarHBondContact O-N 3.08Å; W424-L427 HydrophobicContact CH2-CD2 4.37Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.44Å; W424-P428 HydrophobicContact CE3-CG 3.95Å; W424-P428 HydrophobicContact CZ3-CG 4.18Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.31Å; W424-W466 HydrophobicContact CZ2-CB 3.91Å; W424-W466 AromaticContact CZ2-CD1 3.82Å; W424-W466 AromaticContact CZ2-CD2 3.84Å; W424-W466 HydrophobicContact CZ2-CD2 3.84Å; W424-W466 HydrophobicContact CZ2-CE3 4.43Å; W424-W466 AromaticContact CZ2-CG 3.59Å; W424-W466 HydrophobicContact CZ2-CG 3.59Å; W424-W466 AromaticContact NE1-CD2 3.97Å; W424-W466 AromaticContact NE1-CE2 3.95Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CH2-CD2 4.5Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4Å; W424-L470 HydrophobicContact CZ3-CD2 4.21Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å
425S94.9Very high91.7Very high0 Ų025.3 Ų25.30%012%0.123CC..G310 helixtrans-75.8-14.2175.9-55.50000112.7G421 K422 T423G421-S425 PolarHBondContact O-N 3.37Å; G421-S425 VanDerWaalsContact O-N 3.12Å; G421-S425 PolarHBondContact O-OG 3.33Å; K422-S425 WeakPolarHBondContact O-CA 3.4Å; K422-S425 WeakPolarHBondContact O-CB 3.35Å; K422-S425 PolarHBondContact O-N 3.33Å; K422-S425 PolarHBondContact O-OG 3.05Å; T423-S425 PolarHBondContact O-N 3.17Å; T423-S425 VanDerWaalsContact O-N 3.11Å
426Y95.4Very high91.5Very high0 Ų028.3 Ų28.30%014%0.137CC..THydrogen-bonded Turntrans-142.5-23.3177.751.7-101.7000115V412 K422 T423 W424 P428 T429 V430 F452 A535 D537 L571 S573V412-Y426 HydrophobicContact CG1-CD1 4.1Å; K422-Y426 WeakPolarHBondContact O-CE1 3.32Å; T423-Y426 PolarHBondContact O-N 2.95Å; W424-Y426 PolarHBondContact O-N 3.08Å; Y426-P428 VanDerWaalsContact C-N 3.35Å; Y426-T429 PolarHBondContact O-N 3.46Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; Y426-V430 HydrophobicContact CD2-CG2 4.22Å; Y426-V430 WeakPolarHBondContact O-CG2 3.31Å; Y426-V430 PolarHBondContact O-N 3.02Å; Y426-F452 HydrophobicContact CD2-CE2 4.49Å; Y426-F452 AromaticContact CE2-CE2 3.88Å; Y426-F452 HydrophobicContact CE2-CE2 3.88Å; Y426-F452 AromaticContact CE2-CZ 3.94Å; Y426-F452 HydrophobicContact CE2-CZ 3.94Å; Y426-A535 HydrophobicContact CE2-CB 4.21Å; Y426-D537 WeakPolarHBondContact OH-CB 3.49Å; Y426-D537 PolarHBondContact OH-OD1 3.09Å; Y426-D537 VanDerWaalsContact OH-OD1 3.12Å; Y426-L571 HydrophobicContact CD1-CB 4.37Å; Y426-L571 HydrophobicContact CD2-CB 4.26Å; Y426-L571 HydrophobicContact CD2-CD1 3.77Å; Y426-L571 HydrophobicContact CE2-CB 4.49Å; Y426-L571 HydrophobicContact CG-CB 4.19Å; Y426-L571 HydrophobicContact CG-CD1 3.91Å; Y426-L571 HydrophobicContact CG-CD2 4.48Å; Y426-L571 HydrophobicContact CG-CG 4.44Å; Y426-S573 WeakPolarHBondContact OH-CB 3.38Å
427L95.8Very high91.4Very high0 Ų030.3 Ų30.30%015%0.148CC..Hα-helixtrans-49.6-41.6-179.3-175.768000115T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.41Å; T423-L427 HydrophobicContact CG2-CD2 4.35Å; T423-L427 WeakPolarHBondContact O-CB 3.44Å; T423-L427 PolarHBondContact O-N 3.32Å; W424-L427 HydrophobicContact CH2-CD2 4.37Å; W424-L427 HydrophobicContact CZ2-CD2 4.48Å; W424-L427 HydrophobicContact CZ3-CD2 4.44Å; L427-T429 PolarHBondContact O-N 3.31Å; L427-V430 PolarHBondContact O-N 3.09Å; L427-C431 PolarHBondContact O-N 3.43Å; L427-C431 PolarHBondContact O-SG 3.12Å; L427-F452 HydrophobicContact CD1-CE2 3.98Å; L427-I463 HydrophobicContact CD1-CG2 4.3Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; L427-M467 HydrophobicContact CD1-CE 3.61Å; L427-M467 HydrophobicContact CD1-CG 3.78Å; L427-L470 HydrophobicContact CD2-CD1 4.14Å; L427-L470 HydrophobicContact CG-CD1 3.88Å
428P94.4Very high91.6Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-60.4-46.3177.3-22.434000112.6I381 M385 W424 Y426 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.7Å; M385-P428 HydrophobicContact CE-CB 4.16Å; M385-P428 HydrophobicContact CE-CG 3.39Å; M385-P428 HydrophobicContact CG-CG 4.35Å; M385-P428 HydrophobicContact SD-CB 3.57Å; M385-P428 VanDerWaalsContact SD-CB 3.57Å; M385-P428 HydrophobicContact SD-CG 3.48Å; M385-P428 WeakPolarHBondContact SD-CG 3.41Å; W424-P428 HydrophobicContact CE3-CG 3.95Å; W424-P428 HydrophobicContact CZ3-CG 4.18Å; Y426-P428 VanDerWaalsContact C-N 3.35Å; P428-C431 PolarHBondContact O-N 3.23Å; P428-Q432 WeakPolarHBondContact O-CB 3.46Å; P428-Q432 PolarHBondContact O-N 3.22Å
429T92.7Very high91.9Very high6 Ų625.9 Ų25.94%0.03712%0.123CC..Hα-helixtrans-66.4-38.9178.2-48.10000111.6V406 Y426 L427 R433V406-T429 HydrophobicContact CG1-CG2 4.01Å; Y426-T429 PolarHBondContact O-N 3.46Å; Y426-T429 VanDerWaalsContact O-N 3.08Å; L427-T429 PolarHBondContact O-N 3.31Å; T429-R433 HydrophobicContact CG2-CG 4.31Å; T429-R433 WeakPolarHBondContact O-CB 3.36Å; T429-R433 WeakPolarHBondContact O-CG 3.37Å; T429-R433 PolarHBondContact O-N 3.27Å
430V94.8Very high92.3Very high6 Ų625 Ų254%0.03611%0.112CC..Hα-helixtrans-59.1-50.8174.6169.20000110.6Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.22Å; Y426-V430 WeakPolarHBondContact O-CG2 3.31Å; Y426-V430 PolarHBondContact O-N 3.02Å; L427-V430 PolarHBondContact O-N 3.09Å; V430-S434 WeakPolarHBondContact O-CB 3.04Å; V430-S434 PolarHBondContact O-N 3.03Å; V430-C450 HydrophobicContact CG1-CB 4.41Å; V430-C450 VanDerWaalsContact CG1-SG 3.55Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; V430-I505 HydrophobicContact CG1-CD1 4.14Å; V430-L571 HydrophobicContact CG2-CD1 3.32Å
431C95.1Very high92.4Very high0 Ų025.6 Ų25.60%011%0.113CC..Hα-helixtrans-62.1-48.5179.9-63.50000111.3L427 P428 H435 L470 L471L427-C431 PolarHBondContact O-N 3.43Å; L427-C431 PolarHBondContact O-SG 3.12Å; P428-C431 PolarHBondContact O-N 3.23Å; C431-H435 WeakPolarHBondContact O-CB 3.22Å; C431-H435 PolarHBondContact O-N 3.37Å; C431-L470 HydrophobicContact CB-CB 3.93Å; C431-L470 HydrophobicContact CB-CD1 4.13Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; C431-L471 HydrophobicContact CB-CD2 3.94Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.31Å
432Q93.1Very high92.1Very high16 Ų1629.4 Ų29.48%0.07514%0.136CC..Hα-helixtrans-58.4-52.8-179.3-167.6-174.6-53.200112.1D376 I381 P428 H435 E436D376-Q432 PolarHBondContact O-NE2 2.67Å; D376-Q432 PolarHBondContact O-OE1 2.78Å; I381-Q432 HydrophobicContact CD1-CB 4.48Å; I381-Q432 HydrophobicContact CG1-CB 4.07Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; P428-Q432 WeakPolarHBondContact O-CB 3.46Å; P428-Q432 PolarHBondContact O-N 3.22Å; Q432-H435 PolarHBondContact O-N 3.19Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.36Å; Q432-E436 PolarHBondContact NE2-OE1 3.2Å; Q432-E436 WeakPolarHBondContact O-CB 3.19Å; Q432-E436 WeakPolarHBondContact O-CG 3.2Å; Q432-E436 PolarHBondContact O-N 3.32Å
433R91.4Very high91.3Very high68 Ų6835.2 Ų35.226%0.25717%0.168SC..Hα-helixtrans-69.3-41.1-177.3-71.5178.1169.5-170.7-18.4112.8V406 S407 G409 T429 H435 E436 D437V406-R433 PolarHBondContact O-NH1 2.91Å; S407-R433 VanDerWaalsContact C-NH2 3.26Å; S407-R433 PolarHBondContact O-NH2 3.35Å; G409-R433 VanDerWaalsContact CA-NH1 3.32Å; T429-R433 HydrophobicContact CG2-CG 4.31Å; T429-R433 WeakPolarHBondContact O-CB 3.36Å; T429-R433 WeakPolarHBondContact O-CG 3.37Å; T429-R433 PolarHBondContact O-N 3.27Å; R433-H435 PolarHBondContact O-N 3.43Å; R433-E436 PolarHBondContact O-N 2.86Å; R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 3.21Å
434S93.3Very high90.5Very high4 Ų440.5 Ų40.53%0.02820%0.2CC..Hα-helixtrans-56.7-43.1176.4-175.20000111V430 L438 G504 I505V430-S434 WeakPolarHBondContact O-CB 3.04Å; V430-S434 PolarHBondContact O-N 3.03Å; S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.25Å; S434-G504 VanDerWaalsContact OG-CA 3.28Å; S434-G504 WeakPolarHBondContact OG-CA 3.38Å; S434-G504 PolarHBondContact OG-O 2.87Å; S434-G504 VanDerWaalsContact OG-O 3.13Å; S434-I505 WeakPolarHBondContact OG-CG1 3.43Å
435H92.8Very high89.9Confident17 Ų1739.9 Ų39.98%0.07920%0.201CC..Hα-helixtrans-68.3-52.1175179.580.6000112.4C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.22Å; C431-H435 PolarHBondContact O-N 3.37Å; Q432-H435 PolarHBondContact O-N 3.19Å; R433-H435 PolarHBondContact O-N 3.43Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.35Å; H435-L438 WeakPolarHBondContact O-CB 3.37Å; H435-L438 PolarHBondContact O-N 3.25Å; H435-L438 VanDerWaalsContact O-N 3.11Å; H435-Q439 PolarHBondContact CE1-NE2 3.27Å; H435-Q439 WeakPolarHBondContact O-CG 3.46Å; H435-Q439 PolarHBondContact O-N 3.34Å; H435-L471 HydrophobicContact CB-CD2 3.87Å; H435-L474 HydrophobicContact CB-CD1 3.9Å; H435-G475 PolarHBondContact CE1-O 3.01Å; H435-D482 IonicContact CE1-OD1 3.33Å; H435-D482 IonicContact CG-OD1 2.69Å; H435-D482 IonicContact ND1-OD1 3.46Å; H435-D482 PolarHBondContact ND1-OD1 2.99Å
436E91.1Very high89.6Confident63 Ų6345.4 Ų45.429%0.29422%0.222SC..Hα-helixtrans-55.2-43.9179.3-80.7-175.3-139.500112.9Q432 R433 R440Q432-E436 WeakPolarHBondContact CG-OE1 3.36Å; Q432-E436 PolarHBondContact NE2-OE1 3.2Å; Q432-E436 WeakPolarHBondContact O-CB 3.19Å; Q432-E436 WeakPolarHBondContact O-CG 3.2Å; Q432-E436 PolarHBondContact O-N 3.32Å; R433-E436 PolarHBondContact O-N 2.86Å; E436-R440 WeakPolarHBondContact O-CG 3.35Å; E436-R440 PolarHBondContact O-N 2.86Å; E436-R440 IonicContact OE2-CZ 2.71Å; E436-R440 IonicContact OE2-NH1 3.01Å; E436-R440 IonicContact OE2-NH2 3.37Å; E436-R440 PolarHBondContact OE2-NH2 3.49Å
437D90.5Very high89.4Confident43 Ų4345.4 Ų45.423%0.2322%0.222CC..Hα-helixtrans-73.5-34.5177.8-75.8-20.2000111.6R433 H435 Q439 R440 R441 T449R433-D437 WeakPolarHBondContact O-CB 3.46Å; R433-D437 PolarHBondContact O-N 3.21Å; H435-D437 VanDerWaalsContact C-N 3.31Å; H435-D437 PolarHBondContact O-N 3.35Å; D437-Q439 VanDerWaalsContact C-N 3.33Å; D437-Q439 PolarHBondContact O-N 3.14Å; D437-R440 CarbonylContact O-C 3.53Å; D437-R440 WeakPolarHBondContact O-CA 3.44Å; D437-R440 WeakPolarHBondContact O-CB 3.42Å; D437-R440 PolarHBondContact O-N 2.75Å; D437-R440 IonicContact OD1-CZ 2.67Å; D437-R440 IonicContact OD1-NH1 3.8Å; D437-R440 PolarHBondContact OD1-NH1 3.42Å; D437-R441 VanDerWaalsContact O-CG 3.25Å; D437-R441 WeakPolarHBondContact O-CG 3.31Å; D437-R441 PolarHBondContact O-N 2.85Å; D437-R441 VanDerWaalsContact O-N 3.12Å; D437-T449 HydrophobicContact CB-CG2 3.67Å
438L91.1Very high89.3Confident0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-59.4-41.5172-177.363.1000111.7S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.25Å; H435-L438 WeakPolarHBondContact O-CB 3.37Å; H435-L438 PolarHBondContact O-N 3.25Å; H435-L438 VanDerWaalsContact O-N 3.11Å; L438-R440 PolarHBondContact O-N 3.5Å; L438-R441 PolarHBondContact O-N 3.13Å; L438-F480 HydrophobicContact CD1-CB 3.89Å; L438-F480 HydrophobicContact CD1-CD2 3.89Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.16Å; L438-F480 HydrophobicContact CG-CD2 4.31Å; L438-P502 HydrophobicContact CD1-CB 3.81Å
439Q88.4Confident89.3Confident66 Ų6645.6 Ų45.631%0.30822%0.223SC..Hα-helixtrans-64.1-21174.1-60.4-47.4-5300113.1H435 D437 S478H435-Q439 PolarHBondContact CE1-NE2 3.27Å; H435-Q439 WeakPolarHBondContact O-CG 3.46Å; H435-Q439 PolarHBondContact O-N 3.34Å; D437-Q439 VanDerWaalsContact C-N 3.33Å; D437-Q439 PolarHBondContact O-N 3.14Å; Q439-S478 PolarHBondContact NE2-OG 3.23Å; Q439-S478 VanDerWaalsContact OE1-CB 3.27Å; Q439-S478 PolarHBondContact OE1-OG 2.86Å
440R88.4Confident89.5Confident156 Ų15645.3 Ų45.359%0.58922%0.222SC*.THydrogen-bonded Turntrans-95.3-5.9177.5-61.5167.1-167130.95.8113.2E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.35Å; E436-R440 PolarHBondContact O-N 2.86Å; E436-R440 IonicContact OE2-CZ 2.71Å; E436-R440 IonicContact OE2-NH1 3.01Å; E436-R440 IonicContact OE2-NH2 3.37Å; E436-R440 PolarHBondContact OE2-NH2 3.49Å; D437-R440 CarbonylContact O-C 3.53Å; D437-R440 WeakPolarHBondContact O-CA 3.44Å; D437-R440 WeakPolarHBondContact O-CB 3.42Å; D437-R440 PolarHBondContact O-N 2.75Å; D437-R440 IonicContact OD1-CZ 2.67Å; D437-R440 IonicContact OD1-NH1 3.8Å; D437-R440 PolarHBondContact OD1-NH1 3.42Å; L438-R440 PolarHBondContact O-N 3.5Å
441R85.7Confident89.6Confident35 Ų3545.1 Ų45.113%0.13222%0.22CC..SBendtrans-78.1139.5-177.9-67-155.170.1-175.11.3111D437 L438 R446 G447 P502D437-R441 VanDerWaalsContact O-CG 3.25Å; D437-R441 WeakPolarHBondContact O-CG 3.31Å; D437-R441 PolarHBondContact O-N 2.85Å; D437-R441 VanDerWaalsContact O-N 3.12Å; L438-R441 PolarHBondContact O-N 3.13Å; R441-R446 PolarHBondContact NH1-O 2.97Å; R441-R446 PolarHBondContact NH2-O 3.49Å; R441-G447 PolarHBondContact NH1-O 3.37Å; R441-P502 HydrophobicContact CB-CB 4.26Å
442P81.1Confident89.7Confident87 Ų8745.1 Ų45.157%0.56522%0.22SC*.  trans-71.9149.1170.131.5-35000110.8V444 G445P442-V444 PolarHBondContact O-N 2.91Å; P442-G445 PolarHBondContact O-N 2.81Å
443D77.3Confident90Very high130 Ų13044.4 Ų44.470%0.69522%0.217SC*.THydrogen-bonded Turntrans-57.2-24-179.1-56.3-10.5000114.4G445 F480D443-G445 VanDerWaalsContact C-N 3.28Å; D443-F480 HydrophobicContact CB-CZ 4.35Å
444V79.2Confident90.2Very high129 Ų12941.1 Ų41.178%0.78221%0.205SC*.THydrogen-bonded Turntrans-80-11.3178.2-166.20000112.2P442P442-V444 PolarHBondContact O-N 2.91Å
445G82Confident90Very high11 Ų1141.4 Ų41.411%0.11321%0.206CC..  trans-64.5161.4176.400000113P442 D443 P502P442-G445 PolarHBondContact O-N 2.81Å; D443-G445 VanDerWaalsContact C-N 3.28Å; G445-P502 WeakPolarHBondContact O-CD 3.3Å; G445-P502 WeakPolarHBondContact O-CG 3.25Å
446R88.6Confident89.8Confident116 Ų11643.9 Ų43.944%0.43822%0.22SC..  trans-132.4140.8-177.1-54.6-167.6-177.3177.93.1113R441 K500 D527R441-R446 PolarHBondContact NH1-O 2.97Å; R441-R446 PolarHBondContact NH2-O 3.49Å; R446-K500 WeakPolarHBondContact CG-O 3.48Å; R446-D527 PolarHBondContact O-N 2.98Å
447G91Very high89.8Confident0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans59.1-158172.700000116.5R441 L499 K501 V503R441-G447 PolarHBondContact NH1-O 3.37Å; G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 3.44Å; G447-K501 WeakPolarHBondContact CA-O 3.37Å; G447-K501 PolarHBondContact N-O 2.88Å; G447-V503 PolarHBondContact O-N 3.31Å
448P94.3Very high89.8Confident1 Ų145.2 Ų45.21%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-80.4145.8-159.732.2-31.6000112.2C450 I451 V503 L506 V531P448-C450 WeakPolarHBondContact CB-O 3.5Å; P448-I451 HydrophobicContact CG-CD1 4.44Å; P448-I451 HydrophobicContact CG-CG1 3.87Å; P448-V503 CarbonylContact C-O 3.53Å; P448-V503 VanDerWaalsContact CA-O 3.27Å; P448-V503 WeakPolarHBondContact CA-O 3.28Å; P448-L506 HydrophobicContact CB-CB 3.8Å; P448-L506 HydrophobicContact CG-CB 3.94Å; P448-L506 HydrophobicContact CG-CD2 4.44Å; P448-V531 HydrophobicContact CG-CG2 4.41Å; P448-V531 WeakPolarHBondContact O-CG2 3.39Å
449T94Very high89.7Confident3 Ų347 Ų472%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-75.1-33162.1-58.40000111.2D437 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.67Å; T449-V503 PolarHBondContact N-O 3.35Å; T449-G504 PolarHBondContact N-O 3.46Å; T449-V531 CarbonylContact O-C 3.54Å; T449-V531 WeakPolarHBondContact O-CA 3.27Å; T449-K532 HydrophobicContact CG2-CB 4.4Å; T449-K532 HydrophobicContact CG2-CG 4.19Å; T449-K532 PolarHBondContact O-N 3.44Å
450C96.1Very high89.9Confident1 Ų143.9 Ų43.91%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-132.5138.1178.6-177.50000112V430 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.41Å; V430-C450 VanDerWaalsContact CG1-SG 3.55Å; P448-C450 WeakPolarHBondContact CB-O 3.5Å; C450-G504 PolarHBondContact N-O 3.48Å; C450-I505 HydrophobicContact CB-CG1 4.28Å; C450-I505 HydrophobicContact CB-CG2 4.46Å; C450-I505 CarbonylContact O-C 3.55Å; C450-I505 WeakPolarHBondContact O-CA 3.19Å; C450-L506 PolarHBondContact O-N 3.45Å; C450-C533 VanDerWaalsContact CA-O 3.32Å; C450-C533 WeakPolarHBondContact CA-O 3.46Å; C450-C533 HydrophobicContact CB-CB 4.22Å; C450-C533 PolarHBondContact SG-O 2.63Å
451I97.1Very high90.2Very high2 Ų240.7 Ų40.71%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-106.3127.5169.5-58175.2000108.6P448 V453 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CG-CD1 4.44Å; P448-I451 HydrophobicContact CG-CG1 3.87Å; I451-V453 HydrophobicContact CG2-CG2 4.09Å; I451-L513 HydrophobicContact CG2-CD1 4.27Å; I451-L513 HydrophobicContact CG2-CD2 3.94Å; I451-F526 HydrophobicContact CD1-CE2 4.04Å; I451-F526 HydrophobicContact CD1-CZ 3.87Å; I451-V531 HydrophobicContact CD1-CG1 4.2Å; I451-V531 HydrophobicContact CD1-CG2 4.14Å; I451-V531 HydrophobicContact CG1-CG1 4.12Å; I451-V531 HydrophobicContact CG1-CG2 4.38Å; I451-C533 PolarHBondContact N-O 2.81Å; I451-I534 HydrophobicContact CB-CG1 4.41Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; I451-A535 PolarHBondContact O-N 2.81Å; I451-F561 HydrophobicContact CD1-CE1 4.4Å; I451-F561 HydrophobicContact CD1-CZ 3.81Å
452F98.2Very high90.6Very high0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-120.8119.1178.6-157.1-64.8000109.2T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4.04Å; Y426-F452 HydrophobicContact CD2-CE2 4.49Å; Y426-F452 AromaticContact CE2-CE2 3.88Å; Y426-F452 HydrophobicContact CE2-CE2 3.88Å; Y426-F452 AromaticContact CE2-CZ 3.94Å; Y426-F452 HydrophobicContact CE2-CZ 3.94Å; L427-F452 HydrophobicContact CD1-CE2 3.98Å; V430-F452 HydrophobicContact CG1-CD2 4.5Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.82Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CE2-CG2 4.5Å; F452-I463 HydrophobicContact CZ-CD1 4.29Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.38Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.74Å; F452-M467 HydrophobicContact CG-CE 3.63Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; F452-I505 HydrophobicContact CB-CG2 4Å; F452-L506 PolarHBondContact N-O 3.31Å; F452-L507 HydrophobicContact CB-CB 4.46Å; F452-L507 HydrophobicContact CB-CD1 3.9Å; F452-L507 HydrophobicContact CD1-CD1 3.53Å; F452-L507 HydrophobicContact CE1-CD1 4.4Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.5Å; F452-T508 PolarHBondContact O-N 3.13Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.52Å; F452-A535 HydrophobicContact CE2-CB 3.7Å; F452-A535 HydrophobicContact CG-CB 3.92Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; F452-D537 HydrophobicContact CE1-CB 3.65Å; F452-D537 HydrophobicContact CZ-CB 3.97Å
453V97.8Very high91.3Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-112.9131.4-178.9-168.40000109I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.09Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; V453-V510 HydrophobicContact CG1-CG2 3.76Å; V453-L513 HydrophobicContact CG2-CD2 3.64Å; V453-A535 PolarHBondContact N-O 3.1Å; V453-L536 HydrophobicContact CB-CD2 3.89Å; V453-L536 HydrophobicContact CG2-CD2 3.92Å; V453-D537 PolarHBondContact O-N 3.09Å; V453-M542 HydrophobicContact CB-CE 4.16Å; V453-M542 HydrophobicContact CG1-CE 4.05Å; V453-M542 HydrophobicContact CG1-SD 4.01Å; V453-M542 WeakPolarHBondContact O-CE 3.36Å
454C95.4Very high92.1Very high0 Ų036.3 Ų36.30%019%0.192CC..  trans-132166172.669.80000111.4N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 2.61Å; C454-N456 PolarHBondContact SG-O 2.89Å; C454-G460 WeakPolarHBondContact SG-CA 3.29Å; C454-G460 PolarHBondContact SG-N 3.4Å; C454-I463 HydrophobicContact CB-CD1 4.21Å; C454-W487 WeakPolarHBondContact SG-CH2 3.37Å; C454-T508 PolarHBondContact N-O 3.37Å
455P90.5Very high92.8Very high10 Ų1038.9 Ų38.97%0.06519%0.188CC..SBendtrans-71.5-25.5-169.1-17.932.2000115.1Q459 D537 N538 D541 M542P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; P455-D537 WeakPolarHBondContact CD-O 3.17Å; P455-N538 HydrophobicContact CG-CB 3.86Å; P455-D541 HydrophobicContact CB-CB 3.77Å; P455-D541 HydrophobicContact CG-CB 3.54Å; P455-M542 HydrophobicContact CB-CG 4.21Å; P455-M542 HydrophobicContact CG-CG 4.02Å
456N88.6Confident93.4Very high68 Ų6841.3 Ų41.336%0.36419%0.193SC..SBendtrans-161.3163.8-178.658.668.2000112.2C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 2.61Å; C454-N456 PolarHBondContact SG-O 2.89Å; N456-G458 VanDerWaalsContact C-N 3.26Å; N456-G458 PolarHBondContact O-N 3.02Å; N456-G458 WeakPolarHBondContact OD1-CA 3.42Å; N456-G458 PolarHBondContact OD1-N 3.19Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; N456-Q459 PolarHBondContact O-N 3.32Å; N456-Q459 PolarHBondContact OD1-N 3.05Å; N456-G460 PolarHBondContact O-N 3.39Å
457Q90.8Very high93.7Very high84 Ų8435.8 Ų35.839%0.39317%0.172SC..Hα-helixtrans-57.6-32.6178.5-177-172.968.200113.5G460 K461 W487Q457-G460 PolarHBondContact O-N 2.86Å; Q457-K461 VanDerWaalsContact CD-CE 3.46Å; Q457-K461 VanDerWaalsContact CD-NZ 3.29Å; Q457-K461 HydrophobicContact CG-CD 3.93Å; Q457-K461 HydrophobicContact CG-CG 4.13Å; Q457-K461 WeakPolarHBondContact O-CB 3.2Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.25Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 3.98Å; Q457-W487 HydrophobicContact CB-CG 4.22Å; Q457-W487 HydrophobicContact CG-CB 3.91Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.3Å; Q457-W487 HydrophobicContact CG-CG 3.62Å
458G89.9Confident93.8Very high50 Ų5038.7 Ų38.752%0.51519%0.193SC..Hα-helixtrans-63.8-49.3-179.400000112.3N456 G460 Q462N456-G458 VanDerWaalsContact C-N 3.26Å; N456-G458 PolarHBondContact O-N 3.02Å; N456-G458 WeakPolarHBondContact OD1-CA 3.42Å; N456-G458 PolarHBondContact OD1-N 3.19Å; N456-G458 VanDerWaalsContact OD1-N 3.1Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G458-Q462 PolarHBondContact O-N 3.4Å
459Q89.2Confident93.6Very high38 Ų3841.3 Ų41.318%0.17821%0.209CC..Hα-helixtrans-64.6-40.1171.5-65.5-174.31800111P455 N456 Q462 I463 N538P455-Q459 VanDerWaalsContact CD-OE1 3.24Å; N456-Q459 PolarHBondContact O-N 3.32Å; N456-Q459 PolarHBondContact OD1-N 3.05Å; Q459-Q462 WeakPolarHBondContact O-CB 3.46Å; Q459-Q462 PolarHBondContact O-N 3.22Å; Q459-I463 WeakPolarHBondContact O-CG1 3.21Å; Q459-I463 PolarHBondContact O-N 3.04Å; Q459-N538 PolarHBondContact OE1-ND2 3.49Å
460G93.9Very high93.6Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-55-53176.800000113.8C454 N456 Q457 G458 Q462 I463 E464 W487C454-G460 WeakPolarHBondContact SG-CA 3.29Å; C454-G460 PolarHBondContact SG-N 3.4Å; N456-G460 PolarHBondContact O-N 3.39Å; Q457-G460 PolarHBondContact O-N 2.86Å; G458-G460 VanDerWaalsContact C-N 3.33Å; G460-Q462 PolarHBondContact O-N 3.49Å; G460-I463 PolarHBondContact O-N 3.09Å; G460-E464 WeakPolarHBondContact O-CB 3.47Å; G460-E464 PolarHBondContact O-N 3.23Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.41Å
461K93.8Very high93.4Very high89 Ų8941.5 Ų41.539%0.38721%0.21SC..Hα-helixtrans-59.5-31176.7-76.7172.7171.6167.40113Q457 R465Q457-K461 VanDerWaalsContact CD-CE 3.46Å; Q457-K461 VanDerWaalsContact CD-NZ 3.29Å; Q457-K461 HydrophobicContact CG-CD 3.93Å; Q457-K461 HydrophobicContact CG-CG 4.13Å; Q457-K461 WeakPolarHBondContact O-CB 3.2Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 3.25Å; K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.47Å; K461-R465 PolarHBondContact O-N 2.87Å
462Q93.4Very high92.9Very high104 Ų10446 Ų4649%0.48624%0.24SC..Hα-helixtrans-70.9-42.6174-174.2175.534.300111.6G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 3.4Å; Q459-Q462 WeakPolarHBondContact O-CB 3.46Å; Q459-Q462 PolarHBondContact O-N 3.22Å; G460-Q462 PolarHBondContact O-N 3.49Å; Q462-R465 PolarHBondContact O-N 2.96Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 2.82Å
463I95.5Very high92.1Very high4 Ų449.1 Ų49.12%0.02126%0.256CS..Hα-helixtrans-68.2-40.9178.2-65.5168.7000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507 D537T423-I463 HydrophobicContact CG2-CD1 4.24Å; T423-I463 HydrophobicContact CG2-CG1 4.22Å; L427-I463 HydrophobicContact CD1-CG2 4.3Å; F452-I463 HydrophobicContact CD1-CG2 4.46Å; F452-I463 HydrophobicContact CE1-CD1 3.82Å; F452-I463 HydrophobicContact CE1-CG2 4.05Å; F452-I463 HydrophobicContact CE2-CG2 4.5Å; F452-I463 HydrophobicContact CZ-CD1 4.29Å; F452-I463 HydrophobicContact CZ-CG2 4.06Å; C454-I463 HydrophobicContact CB-CD1 4.21Å; Q459-I463 WeakPolarHBondContact O-CG1 3.21Å; Q459-I463 PolarHBondContact O-N 3.04Å; G460-I463 PolarHBondContact O-N 3.09Å; I463-R465 PolarHBondContact O-N 2.81Å; I463-W466 HydrophobicContact CG1-CE3 4.08Å; I463-W466 HydrophobicContact CG1-CZ3 4.02Å; I463-W466 PolarHBondContact O-N 2.96Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.67Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.11Å; I463-M467 WeakPolarHBondContact O-CG 3.46Å; I463-M467 PolarHBondContact O-N 2.95Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.42Å; I463-L507 HydrophobicContact CG2-CD2 4.28Å; I463-D537 WeakPolarHBondContact CD1-OD2 3.45Å
464E95.4Very high91.4Very high52 Ų5251 Ų5124%0.24327%0.266CS..Hα-helixtrans-53.4-49173-178.7174.3-149.300111.4G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.47Å; G460-E464 PolarHBondContact O-N 3.23Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 2.85Å; E464-M467 PolarHBondContact O-N 2.64Å; E464-S468 PolarHBondContact O-N 3.11Å; E464-S468 PolarHBondContact O-OG 2.87Å; E464-S468 VanDerWaalsContact O-OG 3.1Å; E464-T485 HydrophobicContact CB-CG2 4.35Å; E464-T485 VanDerWaalsContact CD-CG2 3.41Å; E464-T485 HydrophobicContact CG-CG2 3.97Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 3.41Å; E464-L507 HydrophobicContact CB-CD2 3.87Å
465R93.8Very high90.3Very high184 Ų18452.8 Ų52.869%0.69429%0.285SS*.Hα-helixtrans-57.4-44.7175.4-70.9169.2-175.5-176.30.5112.2K461 Q462 I463 S468 T469K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.47Å; K461-R465 PolarHBondContact O-N 2.87Å; Q462-R465 PolarHBondContact O-N 2.96Å; I463-R465 PolarHBondContact O-N 2.81Å; R465-S468 PolarHBondContact O-N 3.02Å; R465-T469 PolarHBondContact O-N 3.31Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 2.88Å; R465-T469 VanDerWaalsContact O-OG1 3.11Å
466W94.6Very high89.1Confident62 Ų6255.4 Ų55.424%0.23530%0.303CS..Hα-helixtrans-65.5-42177-62.3-29.8000112.5T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CZ3 4.27Å; W424-W466 HydrophobicContact CH2-CB 4.15Å; W424-W466 HydrophobicContact CH2-CG 4.31Å; W424-W466 HydrophobicContact CZ2-CB 3.91Å; W424-W466 AromaticContact CZ2-CD1 3.82Å; W424-W466 AromaticContact CZ2-CD2 3.84Å; W424-W466 HydrophobicContact CZ2-CD2 3.84Å; W424-W466 HydrophobicContact CZ2-CE3 4.43Å; W424-W466 AromaticContact CZ2-CG 3.59Å; W424-W466 HydrophobicContact CZ2-CG 3.59Å; W424-W466 AromaticContact NE1-CD2 3.97Å; W424-W466 AromaticContact NE1-CE2 3.95Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.03Å; Q462-W466 HydrophobicContact CG-CD2 4.43Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 PolarHBondContact O-N 2.82Å; I463-W466 HydrophobicContact CG1-CE3 4.08Å; I463-W466 HydrophobicContact CG1-CZ3 4.02Å; I463-W466 PolarHBondContact O-N 2.96Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.34Å; E464-W466 PolarHBondContact O-N 2.85Å; W466-T469 PolarHBondContact O-N 3.31Å; W466-L470 VanDerWaalsContact O-CG 3.29Å; W466-L470 WeakPolarHBondContact O-CG 3.43Å; W466-L470 PolarHBondContact O-N 3.13Å
467M95.3Very high87.9Confident0 Ų056.7 Ų56.70%032%0.324CS..Hα-helixtrans-59.1-50.6174.8-72.3176.7170.100110.6L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.61Å; L427-M467 HydrophobicContact CD1-CG 3.78Å; F452-M467 HydrophobicContact CB-CE 4.03Å; F452-M467 HydrophobicContact CD1-CE 4.38Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.74Å; F452-M467 HydrophobicContact CG-CE 3.63Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; I463-M467 HydrophobicContact CG2-CE 3.67Å; I463-M467 HydrophobicContact CG2-CG 4.31Å; I463-M467 HydrophobicContact CG2-SD 4.11Å; I463-M467 WeakPolarHBondContact O-CG 3.46Å; I463-M467 PolarHBondContact O-N 2.95Å; E464-M467 PolarHBondContact O-N 2.64Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.93Å; M467-L470 PolarHBondContact O-N 2.96Å; M467-L470 VanDerWaalsContact O-N 3.08Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.46Å; M467-L471 WeakPolarHBondContact O-CD1 3.5Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 2.98Å; M467-L471 PolarHBondContact O-N 3.04Å; M467-V483 HydrophobicContact CB-CG2 4.15Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.93Å; M467-I505 HydrophobicContact CG-CD1 4.31Å; M467-I505 HydrophobicContact SD-CD1 3.9Å; M467-I505 HydrophobicContact SD-CG2 4.1Å; M467-L507 HydrophobicContact SD-CD2 4.04Å
468S92.2Very high86.6Confident61 Ų6154.2 Ų54.243%0.42732%0.315SS..Hα-helixtrans-58.5-40179.3-61.40000112.5E464 R465 C472E464-S468 PolarHBondContact O-N 3.11Å; E464-S468 PolarHBondContact O-OG 2.87Å; E464-S468 VanDerWaalsContact O-OG 3.1Å; R465-S468 PolarHBondContact O-N 3.02Å; S468-C472 WeakPolarHBondContact O-CB 3.34Å; S468-C472 PolarHBondContact O-N 2.93Å
469T91.2Very high85.9Confident56 Ų5655.4 Ų55.434%0.34433%0.328SS..Hα-helixtrans-67.9-37.9174.6-51.90000112.9M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 3.83Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.7Å; R465-T469 PolarHBondContact O-N 3.31Å; R465-T469 VanDerWaalsContact O-N 3.11Å; R465-T469 PolarHBondContact O-OG1 2.88Å; R465-T469 VanDerWaalsContact O-OG1 3.11Å; W466-T469 PolarHBondContact O-N 3.31Å; M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 2.93Å
470L93.2Very high85.7Confident0 Ų055.2 Ų55.20%033%0.326CS..Hα-helixtrans-66.9-41.6176.5-70.9168.9000112.3I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 3.99Å; I381-L470 HydrophobicContact CD1-CD2 4.08Å; I381-L470 WeakPolarHBondContact CD1-O 3.41Å; I381-L470 HydrophobicContact CG2-CD2 4.3Å; A384-L470 HydrophobicContact CB-CD2 3.98Å; M385-L470 HydrophobicContact CG-CD2 3.91Å; M388-L470 HydrophobicContact CE-CD2 3.66Å; M388-L470 HydrophobicContact CE-CG 3.88Å; W424-L470 HydrophobicContact CH2-CD1 4.21Å; W424-L470 HydrophobicContact CH2-CD2 4.5Å; W424-L470 HydrophobicContact CH2-CG 4.47Å; W424-L470 HydrophobicContact CZ3-CD1 4Å; W424-L470 HydrophobicContact CZ3-CD2 4.21Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å; L427-L470 HydrophobicContact CD2-CD1 4.14Å; L427-L470 HydrophobicContact CG-CD1 3.88Å; C431-L470 HydrophobicContact CB-CB 3.93Å; C431-L470 HydrophobicContact CB-CD1 4.13Å; C431-L470 VanDerWaalsContact SG-CD1 3.53Å; W466-L470 VanDerWaalsContact O-CG 3.29Å; W466-L470 WeakPolarHBondContact O-CG 3.43Å; W466-L470 PolarHBondContact O-N 3.13Å; M467-L470 PolarHBondContact O-N 2.96Å; M467-L470 VanDerWaalsContact O-N 3.08Å
471L91.6Very high85.5Confident8 Ų858.8 Ų58.84%0.04234%0.343CS..Hα-helixtrans-80.4-37.1-174.5-66.7160000112.1C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.94Å; C431-L471 HydrophobicContact CB-CG 4.08Å; C431-L471 WeakPolarHBondContact O-CD2 3.31Å; H435-L471 HydrophobicContact CB-CD2 3.87Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.46Å; M467-L471 WeakPolarHBondContact O-CD1 3.5Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 2.98Å; M467-L471 PolarHBondContact O-N 3.04Å; L471-L473 VanDerWaalsContact C-N 3.26Å; L471-L473 PolarHBondContact O-N 3.39Å; L471-L474 HydrophobicContact CD2-CD1 4.35Å; L471-L474 WeakPolarHBondContact O-CB 3.25Å; L471-L474 PolarHBondContact O-N 2.97Å; L471-D482 HydrophobicContact CD1-CB 4.08Å; L471-D482 HydrophobicContact CD2-CB 4.45Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å
472C87Confident85.4Confident97 Ų9756 Ų5666%0.65533%0.332SS*.Hα-helixtrans-53.7-39.2179.3179.50000113.1S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.34Å; S468-C472 PolarHBondContact O-N 2.93Å; C472-L474 VanDerWaalsContact C-N 3.32Å; C472-L474 PolarHBondContact O-N 3.21Å; C472-G475 PolarHBondContact O-N 3.26Å
473L81.4Confident85.4Confident64 Ų6452.3 Ų52.334%0.33532%0.317SS..THydrogen-bonded Turntrans-75.2-16.5178.6-61.2-162.9000114.4I380 R383 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.47Å; I380-L473 HydrophobicContact CG2-CB 3.64Å; I380-L473 WeakPolarHBondContact CG2-O 3.39Å; R383-L473 HydrophobicContact CG-CD1 4.49Å; A384-L473 HydrophobicContact CB-CD1 3.78Å; A384-L473 HydrophobicContact CB-CG 4.28Å; L471-L473 VanDerWaalsContact C-N 3.26Å; L471-L473 PolarHBondContact O-N 3.39Å; L473-G475 VanDerWaalsContact C-N 3.31Å
474L83.2Confident85.4Confident39 Ų3952.1 Ų52.120%0.20432%0.316CS..THydrogen-bonded Turntrans-77.8-20.2173.8-67.7170.3000112I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.06Å; I380-L474 HydrophobicContact CD1-CD2 4.27Å; I380-L474 HydrophobicContact CG2-CD2 3.81Å; I380-L474 HydrophobicContact CG2-CG 4.24Å; I381-L474 HydrophobicContact CD1-CD1 4Å; I381-L474 HydrophobicContact CD1-CG 4.37Å; I381-L474 HydrophobicContact CG1-CD1 4.36Å; I381-L474 HydrophobicContact CG1-CD2 4.3Å; H435-L474 HydrophobicContact CB-CD1 3.9Å; L471-L474 HydrophobicContact CD2-CD1 4.35Å; L471-L474 WeakPolarHBondContact O-CB 3.25Å; L471-L474 PolarHBondContact O-N 2.97Å; C472-L474 VanDerWaalsContact C-N 3.32Å; C472-L474 PolarHBondContact O-N 3.21Å
475G72.1Confident85.4Confident38 Ų3850.7 Ų50.739%0.39231%0.311SS..  trans75.9-179.7-170.800000112.1H435 C472 L473H435-G475 PolarHBondContact CE1-O 3.01Å; C472-G475 PolarHBondContact O-N 3.26Å; L473-G475 VanDerWaalsContact C-N 3.31Å
476S66Low85.5Confident65 Ų6542 Ų4246%0.45528%0.278SS..  trans-139.6110.5172-1730000109.3
477A61.6Low85.4Confident96 Ų9640.8 Ų40.879%0.79327%0.273SS*.SBendtrans-97.7-19.6179.100000112.8
478S65.3Low85Confident31 Ų3143.9 Ų43.922%0.21729%0.29CS..SBendtrans-88.7-10.5-174.957.80000115Q439 F480Q439-S478 PolarHBondContact NE2-OG 3.23Å; Q439-S478 VanDerWaalsContact OE1-CB 3.27Å; Q439-S478 PolarHBondContact OE1-OG 2.86Å; S478-F480 PolarHBondContact O-N 3.47Å; S478-F480 VanDerWaalsContact O-N 3.08Å
479G73.4Confident84.6Confident75 Ų7546.1 Ų46.177%0.77329%0.292SS*.  trans65.47.8-17700000114.9
480F85.5Confident84.3Confident34 Ų3449 Ų4915%0.14931%0.309CS..SBendtrans-89.5159.6175.1-62-47.7000111.8L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.89Å; L438-F480 HydrophobicContact CD1-CD2 3.89Å; L438-F480 HydrophobicContact CD1-CG 4.21Å; L438-F480 HydrophobicContact CD2-CB 4.01Å; L438-F480 HydrophobicContact CG-CB 4.16Å; L438-F480 HydrophobicContact CG-CD2 4.31Å; D443-F480 HydrophobicContact CB-CZ 4.35Å; S478-F480 PolarHBondContact O-N 3.47Å; S478-F480 VanDerWaalsContact O-N 3.08Å; F480-D482 PolarHBondContact O-N 2.86Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.39Å; F480-P502 HydrophobicContact CD2-CB 3.91Å; F480-P502 HydrophobicContact CD2-CG 4.29Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 4.04Å; F480-P502 HydrophobicContact CE2-CB 4.05Å; F480-P502 HydrophobicContact CE2-CG 3.93Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CZ-CB 4.35Å; F480-P502 HydrophobicContact CZ-CG 3.83Å
481E90.3Very high83.9Confident76 Ų7653.1 Ų53.136%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-75.6115.6177.4-58.7-172-112.700110.6V483 V484 R498 V503 G504E481-V483 VanDerWaalsContact C-N 3.31Å; E481-V483 PolarHBondContact O-N 2.91Å; E481-V484 HydrophobicContact CB-CG2 4.07Å; E481-R498 WeakPolarHBondContact OE1-CG 3.46Å; E481-R498 IonicContact OE1-NE 3.11Å; E481-R498 PolarHBondContact OE1-NE 3.31Å; E481-R498 IonicContact OE2-CZ 2.68Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 3.6Å; E481-R498 PolarHBondContact OE2-NE 3.17Å; E481-R498 IonicContact OE2-NH2 2.91Å; E481-R498 PolarHBondContact OE2-NH2 3.32Å; E481-V503 WeakPolarHBondContact O-CA 3.45Å; E481-G504 PolarHBondContact O-N 3.37Å
482D91.1Very high83.7Confident29 Ų2953.8 Ų53.816%0.15533%0.332CS..EExtended strand (participates in β ladder)trans-67.2-29.9176.8-66.5-83000112.7H435 L471 F480 G504 I505H435-D482 IonicContact CE1-OD1 3.33Å; H435-D482 IonicContact CG-OD1 2.69Å; H435-D482 IonicContact ND1-OD1 3.46Å; H435-D482 PolarHBondContact ND1-OD1 2.99Å; L471-D482 HydrophobicContact CD1-CB 4.08Å; L471-D482 HydrophobicContact CD2-CB 4.45Å; F480-D482 PolarHBondContact O-N 2.86Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 WeakPolarHBondContact O-CA 3.45Å; D482-I505 PolarHBondContact O-N 3.4Å
483V94.7Very high83.7Confident27 Ų2754.8 Ų54.816%0.16434%0.335CS..EExtended strand (participates in β ladder)trans-139.9129.4177.3-1710000111.1M467 L471 E481 T485 I505M467-V483 HydrophobicContact CB-CG2 4.15Å; M467-V483 HydrophobicContact SD-CG1 4.4Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; E481-V483 VanDerWaalsContact C-N 3.31Å; E481-V483 PolarHBondContact O-N 2.91Å; V483-T485 HydrophobicContact CG1-CG2 4.38Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.48Å; V483-I505 HydrophobicContact CG2-CB 4.46Å
484V95Very high84.1Confident0 Ų054.1 Ų54.10%033%0.332CS..EExtended strand (participates in β ladder)trans-116.3121.2168171.80000108.5E481 I495 R498 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 4.07Å; V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.43Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; V484-V503 HydrophobicContact CB-CG1 4.04Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.57Å; V484-V503 HydrophobicContact CG2-CG2 3.93Å; V484-I505 PolarHBondContact N-O 2.71Å; V484-L506 HydrophobicContact CG1-CD1 4.29Å; V484-L506 WeakPolarHBondContact O-CA 3.46Å; V484-L507 PolarHBondContact O-N 2.94Å
485T95.8Very high84.5Confident23 Ų2352.2 Ų52.214%0.14132%0.322CS..EExtended strand (participates in β ladder)trans-99.1139.7174.7400000112.4E464 V483 W487 I495 L507E464-T485 HydrophobicContact CB-CG2 4.35Å; E464-T485 VanDerWaalsContact CD-CG2 3.41Å; E464-T485 HydrophobicContact CG-CG2 3.97Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.4Å; E464-T485 PolarHBondContact OE1-OG1 3.41Å; V483-T485 HydrophobicContact CG1-CG2 4.38Å; T485-W487 HydrophobicContact CG2-CZ2 4.22Å; T485-I495 VanDerWaalsContact O-CD1 3.26Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; T485-L507 WeakPolarHBondContact CA-O 3.15Å; T485-L507 HydrophobicContact CG2-CB 3.96Å; T485-L507 HydrophobicContact CG2-CD2 3.84Å; T485-L507 HydrophobicContact CG2-CG 4.05Å
486H94.4Very high85.4Confident0 Ų051.7 Ų51.70%031%0.311CS..EExtended strand (participates in β ladder)trans-131109.9175.6179.234.5000110.2D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CE1-O 2.96Å; H486-D488 PolarHBondContact ND1-O 3.34Å; H486-I495 HydrophobicContact CB-CD1 4.19Å; H486-I495 HydrophobicContact CB-CG1 4Å; H486-I495 HydrophobicContact CB-CG2 4.14Å; H486-L506 HydrophobicContact CB-CD1 4.45Å; H486-L507 PolarHBondContact N-O 3.09Å; H486-T508 PolarHBondContact O-OG1 2.8Å; H486-L512 WeakPolarHBondContact O-CD1 3.17Å
487W92.5Very high86.5Confident37 Ų3755.3 Ų55.314%0.1432%0.315CS..  trans-127.8-10.4-175.8-57.9124000115.3C454 Q457 G460 T485 L507 T508 L512C454-W487 WeakPolarHBondContact SG-CH2 3.37Å; Q457-W487 HydrophobicContact CB-CB 4.39Å; Q457-W487 HydrophobicContact CB-CD2 4.03Å; Q457-W487 HydrophobicContact CB-CE3 3.98Å; Q457-W487 HydrophobicContact CB-CG 4.22Å; Q457-W487 HydrophobicContact CG-CB 3.91Å; Q457-W487 HydrophobicContact CG-CD2 3.81Å; Q457-W487 HydrophobicContact CG-CE3 4.3Å; Q457-W487 HydrophobicContact CG-CG 3.62Å; G460-W487 VanDerWaalsContact CA-CH2 3.5Å; G460-W487 VanDerWaalsContact CA-CZ2 3.41Å; T485-W487 HydrophobicContact CG2-CZ2 4.22Å; W487-L507 HydrophobicContact CH2-CD1 4.16Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.11Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å; W487-T508 VanDerWaalsContact CZ3-C 3.46Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å
488D87.4Confident87.9Confident65 Ų6553.4 Ų53.435%0.34829%0.287SS..  trans-130.5133.9-178.8-178.33.8000110.7H486 T490 Q491H486-D488 PolarHBondContact CE1-O 2.96Å; H486-D488 PolarHBondContact ND1-O 3.34Å; D488-T490 VanDerWaalsContact C-N 3.26Å; D488-T490 PolarHBondContact O-N 3.01Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.33Å; D488-T490 PolarHBondContact OD1-N 3.49Å; D488-T490 PolarHBondContact OD1-OG1 3.08Å; D488-T490 PolarHBondContact OD2-OG1 3.19Å; D488-Q491 HydrophobicContact CB-CG 4.1Å; D488-Q491 PolarHBondContact O-N 2.9Å
489K83.3Confident89.1Confident109 Ų10952 Ų5247%0.47428%0.277SS..G310 helixtrans-65.2-27.8178.4-61.2-171.1171.7167.10112.3Q491 L492 D511 L512 Q515K489-Q491 PolarHBondContact O-N 3.48Å; K489-L492 PolarHBondContact O-N 3.15Å; K489-D511 WeakPolarHBondContact CE-OD2 3.49Å; K489-D511 IonicContact NZ-OD2 3.16Å; K489-D511 PolarHBondContact NZ-OD2 3.2Å; K489-L512 HydrophobicContact CB-CD2 4.49Å; K489-L512 HydrophobicContact CD-CD2 4.24Å; K489-L512 HydrophobicContact CG-CD2 3.42Å; K489-L512 VanDerWaalsContact CG-CD2 3.42Å; K489-Q515 VanDerWaalsContact CG-OE1 3.31Å
490T85.2Confident89.9Confident115 Ų11554.2 Ų54.271%0.70627%0.265SS*.G310 helixtrans-65.7-30.1175.873.60000112D488 L492D488-T490 VanDerWaalsContact C-N 3.26Å; D488-T490 PolarHBondContact O-N 3.01Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.33Å; D488-T490 PolarHBondContact OD1-N 3.49Å; D488-T490 PolarHBondContact OD1-OG1 3.08Å; D488-T490 PolarHBondContact OD2-OG1 3.19Å; T490-L492 VanDerWaalsContact C-N 3.27Å; T490-L492 PolarHBondContact O-N 2.95Å
491Q85.9Confident90.1Very high88 Ų8859.4 Ų59.441%0.41129%0.288SS..G310 helixtrans-81.91.9-175.4-61.9178.5-11.300113.7D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.1Å; D488-Q491 PolarHBondContact O-N 2.9Å; K489-Q491 PolarHBondContact O-N 3.48Å; Q491-V493 PolarHBondContact O-N 2.7Å; Q491-V493 VanDerWaalsContact O-N 3.08Å; Q491-D494 WeakPolarHBondContact O-CB 3.29Å; Q491-D494 PolarHBondContact O-N 2.58Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 PolarHBondContact O-N 3.21Å
492L86.1Confident90.1Very high22 Ų2255.8 Ų55.812%0.11527%0.271CS..Hα-helixtrans-49.1-42-174.9-177.770.3000113.2K489 T490 I495 V496 Q515 L516 H519K489-L492 PolarHBondContact O-N 3.15Å; T490-L492 VanDerWaalsContact C-N 3.27Å; T490-L492 PolarHBondContact O-N 2.95Å; L492-I495 PolarHBondContact O-N 2.79Å; L492-V496 HydrophobicContact CD1-CG2 4.35Å; L492-V496 HydrophobicContact CG-CG2 4.44Å; L492-V496 WeakPolarHBondContact O-CB 3.36Å; L492-V496 VanDerWaalsContact O-CG2 3.24Å; L492-V496 WeakPolarHBondContact O-CG2 3.24Å; L492-V496 PolarHBondContact O-N 2.89Å; L492-Q515 HydrophobicContact CD1-CG 4.19Å; L492-Q515 HydrophobicContact CD2-CG 4.31Å; L492-L516 HydrophobicContact CD1-CD2 3.6Å; L492-L516 HydrophobicContact CD1-CG 4.13Å; L492-H519 VanDerWaalsContact CD2-CD2 3.47Å; L492-H519 WeakPolarHBondContact CD2-CD2 3.03Å
493V87.1Confident90.3Very high118 Ų11854.5 Ų54.572%0.71526%0.264SS*.Hα-helixtrans-68.1-36.5-179.2-177.20000112.1Q491 R497Q491-V493 PolarHBondContact O-N 2.7Å; Q491-V493 VanDerWaalsContact O-N 3.08Å; V493-R497 WeakPolarHBondContact O-CB 3.27Å; V493-R497 PolarHBondContact O-N 2.96Å; V493-R497 VanDerWaalsContact O-N 3.08Å
494D90.6Very high90.2Very high49 Ų4953.2 Ų53.226%0.26226%0.256SS..Hα-helixtrans-65.8-49.3174.4174.972.3000111.3Q491 V496 R497 R498Q491-D494 WeakPolarHBondContact O-CB 3.29Å; Q491-D494 PolarHBondContact O-N 2.58Å; D494-V496 PolarHBondContact O-N 3.46Å; D494-R497 WeakPolarHBondContact O-CA 3.44Å; D494-R497 WeakPolarHBondContact O-CB 3.45Å; D494-R497 PolarHBondContact O-N 3Å; D494-R497 VanDerWaalsContact O-N 3.08Å; D494-R497 IonicContact OD1-CZ 3.6Å; D494-R497 IonicContact OD1-NH1 3.48Å; D494-R497 PolarHBondContact OD1-NH1 3.11Å; D494-R497 IonicContact OD1-NH2 3.46Å; D494-R497 PolarHBondContact OD1-NH2 3.14Å; D494-R498 PolarHBondContact O-N 2.84Å; D494-R498 WeakPolarHBondContact OD2-CD 3.44Å; D494-R498 IonicContact OD2-NH1 2.71Å; D494-R498 PolarHBondContact OD2-NH1 3.12Å
495I91.8Very high90.3Very high0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-62.2-45.9-179.5-59-57.9000110.6V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.91Å; V484-I495 HydrophobicContact CG1-CG2 4.43Å; T485-I495 VanDerWaalsContact O-CD1 3.26Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; H486-I495 HydrophobicContact CB-CD1 4.19Å; H486-I495 HydrophobicContact CB-CG1 4Å; H486-I495 HydrophobicContact CB-CG2 4.14Å; Q491-I495 HydrophobicContact CB-CG1 4.45Å; Q491-I495 PolarHBondContact O-N 3.21Å; L492-I495 PolarHBondContact O-N 2.79Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 3.22Å; I495-R498 PolarHBondContact O-N 3.26Å; I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.25Å; I495-L499 WeakPolarHBondContact O-CB 3.27Å; I495-L499 VanDerWaalsContact O-CG 3.29Å; I495-L499 WeakPolarHBondContact O-CG 3.4Å; I495-L499 PolarHBondContact O-N 3.49Å; I495-L516 HydrophobicContact CG2-CD1 4.21Å; I495-L516 HydrophobicContact CG2-CD2 4.07Å
496V89.8Confident90.4Very high26 Ų2652.1 Ų52.116%0.15825%0.25CC..Hα-helixtrans-59.6-37.2174.51690000111.6L492 D494 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.35Å; L492-V496 HydrophobicContact CG-CG2 4.44Å; L492-V496 WeakPolarHBondContact O-CB 3.36Å; L492-V496 VanDerWaalsContact O-CG2 3.24Å; L492-V496 WeakPolarHBondContact O-CG2 3.24Å; L492-V496 PolarHBondContact O-N 2.89Å; D494-V496 PolarHBondContact O-N 3.46Å; V496-K500 WeakPolarHBondContact O-CG 3.49Å; V496-K500 PolarHBondContact O-N 3.12Å; V496-L516 HydrophobicContact CG2-CD2 3.79Å; V496-I525 HydrophobicContact CG1-CG1 4.42Å; V496-I525 HydrophobicContact CG2-CD1 4.08Å
497R89Confident90.5Very high141 Ų14152.1 Ų52.153%0.53225%0.25SC..Hα-helixtrans-67.2-43.1174.7167.3172.843.953.1-3.3112.3V493 D494 I495 K500V493-R497 WeakPolarHBondContact O-CB 3.27Å; V493-R497 PolarHBondContact O-N 2.96Å; V493-R497 VanDerWaalsContact O-N 3.08Å; D494-R497 WeakPolarHBondContact O-CA 3.44Å; D494-R497 WeakPolarHBondContact O-CB 3.45Å; D494-R497 PolarHBondContact O-N 3Å; D494-R497 VanDerWaalsContact O-N 3.08Å; D494-R497 IonicContact OD1-CZ 3.6Å; D494-R497 IonicContact OD1-NH1 3.48Å; D494-R497 PolarHBondContact OD1-NH1 3.11Å; D494-R497 IonicContact OD1-NH2 3.46Å; D494-R497 PolarHBondContact OD1-NH2 3.14Å; I495-R497 VanDerWaalsContact C-N 3.27Å; I495-R497 PolarHBondContact O-N 3.22Å; R497-K500 WeakPolarHBondContact O-CB 3.42Å; R497-K500 PolarHBondContact O-N 2.82Å
498R91.4Very high90.7Very high57 Ų5750.3 Ų50.322%0.21524%0.243CC..Hα-helixtrans-64.6-43.9178.7-71.4164.671.2-169.21.8111.3E481 V484 D494 I495 K500 K501E481-R498 WeakPolarHBondContact OE1-CG 3.46Å; E481-R498 IonicContact OE1-NE 3.11Å; E481-R498 PolarHBondContact OE1-NE 3.31Å; E481-R498 IonicContact OE2-CZ 2.68Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 3.6Å; E481-R498 PolarHBondContact OE2-NE 3.17Å; E481-R498 IonicContact OE2-NH2 2.91Å; E481-R498 PolarHBondContact OE2-NH2 3.32Å; V484-R498 HydrophobicContact CG2-CB 4.47Å; D494-R498 PolarHBondContact O-N 2.84Å; D494-R498 WeakPolarHBondContact OD2-CD 3.44Å; D494-R498 IonicContact OD2-NH1 2.71Å; D494-R498 PolarHBondContact OD2-NH1 3.12Å; I495-R498 PolarHBondContact O-N 3.26Å; R498-K500 PolarHBondContact O-N 3.31Å; R498-K500 VanDerWaalsContact O-N 3.13Å; R498-K501 PolarHBondContact O-N 3.24Å
499L91.4Very high91.1Very high0 Ų047.7 Ų47.70%023%0.23CC..THydrogen-bonded Turntrans-67.5-9.7177.6-62.7178.7000114.6G447 I495 K501 V503 L506 L516 I525G447-L499 WeakPolarHBondContact CA-O 3.26Å; G447-L499 PolarHBondContact N-O 3.44Å; I495-L499 HydrophobicContact CG2-CD1 3.89Å; I495-L499 HydrophobicContact CG2-CG 4.25Å; I495-L499 WeakPolarHBondContact O-CB 3.27Å; I495-L499 VanDerWaalsContact O-CG 3.29Å; I495-L499 WeakPolarHBondContact O-CG 3.4Å; I495-L499 PolarHBondContact O-N 3.49Å; L499-K501 PolarHBondContact O-N 2.91Å; L499-V503 HydrophobicContact CD2-CB 4.4Å; L499-V503 HydrophobicContact CD2-CG1 4.48Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å; L499-L506 HydrophobicContact CD1-CD1 4.44Å; L499-L506 HydrophobicContact CD1-CD2 4.07Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L499-L516 HydrophobicContact CD1-CD1 4.38Å; L499-I525 HydrophobicContact CB-CG2 3.55Å; L499-I525 HydrophobicContact CD1-CG2 3.87Å; L499-I525 HydrophobicContact CG-CG2 4.38Å
500K88.8Confident91.6Very high122 Ų12242.7 Ų42.753%0.5321%0.208SC..THydrogen-bonded Turntrans-68.9-11.5170.6-76.3175.8-178.3-177.30113.8R446 V496 R497 R498R446-K500 WeakPolarHBondContact CG-O 3.48Å; V496-K500 WeakPolarHBondContact O-CG 3.49Å; V496-K500 PolarHBondContact O-N 3.12Å; R497-K500 WeakPolarHBondContact O-CB 3.42Å; R497-K500 PolarHBondContact O-N 2.82Å; R498-K500 PolarHBondContact O-N 3.31Å; R498-K500 VanDerWaalsContact O-N 3.13Å
501K89.7Confident91.8Very high143 Ų14338.9 Ų38.962%0.62218%0.183SC*.SBendtrans-106.9166.7171.8-67.5-173.9176.9-173.60110.4G447 R498 L499G447-K501 WeakPolarHBondContact CA-O 3.37Å; G447-K501 PolarHBondContact N-O 2.88Å; R498-K501 PolarHBondContact O-N 3.24Å; L499-K501 PolarHBondContact O-N 2.91Å
502P92.1Very high92.2Very high1 Ų134.9 Ų34.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-58.4137.2167.3-20.333.7000110.7L438 R441 G445 F480L438-P502 HydrophobicContact CD1-CB 3.81Å; R441-P502 HydrophobicContact CB-CB 4.26Å; G445-P502 WeakPolarHBondContact O-CD 3.3Å; G445-P502 WeakPolarHBondContact O-CG 3.25Å; F480-P502 HydrophobicContact CD1-CB 4.33Å; F480-P502 HydrophobicContact CD1-CG 4.39Å; F480-P502 HydrophobicContact CD2-CB 3.91Å; F480-P502 HydrophobicContact CD2-CG 4.29Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 4.04Å; F480-P502 HydrophobicContact CE2-CB 4.05Å; F480-P502 HydrophobicContact CE2-CG 3.93Å; F480-P502 HydrophobicContact CG-CB 4.1Å; F480-P502 HydrophobicContact CZ-CB 4.35Å; F480-P502 HydrophobicContact CZ-CG 3.83Å
503V93.3Very high92.5Very high1 Ų134 Ų341%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-135.7148.9177.3168.50000107.9G447 P448 T449 E481 V484 L499G447-V503 PolarHBondContact O-N 3.31Å; P448-V503 CarbonylContact C-O 3.53Å; P448-V503 VanDerWaalsContact CA-O 3.27Å; P448-V503 WeakPolarHBondContact CA-O 3.28Å; T449-V503 PolarHBondContact N-O 3.35Å; E481-V503 WeakPolarHBondContact O-CA 3.45Å; V484-V503 HydrophobicContact CB-CG1 4.04Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.57Å; V484-V503 HydrophobicContact CG2-CG2 3.93Å; L499-V503 HydrophobicContact CD2-CB 4.4Å; L499-V503 HydrophobicContact CD2-CG1 4.48Å; L499-V503 HydrophobicContact CD2-CG2 4.22Å
504G94.1Very high92.7Very high0 Ų028.8 Ų28.80%013%0.128CC..EExtended strand (participates in β ladder)trans-69.6-84.4171.900000111.1S434 T449 C450 E481 D482S434-G504 VanDerWaalsContact OG-CA 3.28Å; S434-G504 WeakPolarHBondContact OG-CA 3.38Å; S434-G504 PolarHBondContact OG-O 2.87Å; S434-G504 VanDerWaalsContact OG-O 3.13Å; T449-G504 PolarHBondContact N-O 3.46Å; C450-G504 PolarHBondContact N-O 3.48Å; E481-G504 PolarHBondContact O-N 3.37Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 WeakPolarHBondContact O-CA 3.45Å
505I96.9Very high92.5Very high0 Ų028.5 Ų28.50%013%0.125CC..EExtended strand (participates in β ladder)trans-111127.3-173.2-49.5178.2000110.5V430 S434 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.14Å; S434-I505 WeakPolarHBondContact OG-CG1 3.43Å; C450-I505 HydrophobicContact CB-CG1 4.28Å; C450-I505 HydrophobicContact CB-CG2 4.46Å; C450-I505 CarbonylContact O-C 3.55Å; C450-I505 WeakPolarHBondContact O-CA 3.19Å; F452-I505 HydrophobicContact CB-CG2 4Å; M467-I505 HydrophobicContact CE-CD1 4.03Å; M467-I505 HydrophobicContact CE-CG2 3.93Å; M467-I505 HydrophobicContact CG-CD1 4.31Å; M467-I505 HydrophobicContact SD-CD1 3.9Å; M467-I505 HydrophobicContact SD-CG2 4.1Å; L471-I505 HydrophobicContact CD1-CD1 4.26Å; D482-I505 PolarHBondContact O-N 3.4Å; V483-I505 CarbonylContact C-O 3.59Å; V483-I505 WeakPolarHBondContact CA-O 3.48Å; V483-I505 HydrophobicContact CG2-CB 4.46Å; V484-I505 PolarHBondContact N-O 2.71Å
506L96.9Very high92.4Very high0 Ų028.5 Ų28.50%013%0.125CC..EExtended strand (participates in β ladder)trans-92.5115.1161.5172.262.1000108.9P448 C450 F452 V484 H486 L499 T508 L513 L516P448-L506 HydrophobicContact CB-CB 3.8Å; P448-L506 HydrophobicContact CG-CB 3.94Å; P448-L506 HydrophobicContact CG-CD2 4.44Å; C450-L506 PolarHBondContact O-N 3.45Å; F452-L506 PolarHBondContact N-O 3.31Å; V484-L506 HydrophobicContact CG1-CD1 4.29Å; V484-L506 WeakPolarHBondContact O-CA 3.46Å; H486-L506 HydrophobicContact CB-CD1 4.45Å; L499-L506 HydrophobicContact CD1-CD1 4.44Å; L499-L506 HydrophobicContact CD1-CD2 4.07Å; L499-L506 HydrophobicContact CD2-CD1 4.48Å; L506-T508 HydrophobicContact CG-CG2 4.42Å; L506-L513 HydrophobicContact CD2-CD1 4.5Å; L506-L516 HydrophobicContact CD2-CD1 4.07Å
507L97.9Very high92.1Very high0 Ų027.7 Ų27.70%012%0.12CC..EExtended strand (participates in β ladder)trans-110.6121.1179.217164.3000110.7F452 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CB 4.46Å; F452-L507 HydrophobicContact CB-CD1 3.9Å; F452-L507 HydrophobicContact CD1-CD1 3.53Å; F452-L507 HydrophobicContact CE1-CD1 4.4Å; F452-L507 HydrophobicContact CG-CD1 3.98Å; F452-L507 WeakPolarHBondContact O-CA 3.5Å; I463-L507 HydrophobicContact CB-CD2 4.47Å; I463-L507 HydrophobicContact CG2-CD1 4.42Å; I463-L507 HydrophobicContact CG2-CD2 4.28Å; E464-L507 HydrophobicContact CB-CD2 3.87Å; M467-L507 HydrophobicContact SD-CD2 4.04Å; V484-L507 PolarHBondContact O-N 2.94Å; T485-L507 WeakPolarHBondContact CA-O 3.15Å; T485-L507 HydrophobicContact CG2-CB 3.96Å; T485-L507 HydrophobicContact CG2-CD2 3.84Å; T485-L507 HydrophobicContact CG2-CG 4.05Å; H486-L507 PolarHBondContact N-O 3.09Å; W487-L507 HydrophobicContact CH2-CD1 4.16Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.11Å; W487-L507 HydrophobicContact CZ2-CG 3.73Å
508T96.8Very high91.7Very high0 Ų025.8 Ų25.80%012%0.121CC..EExtended strand (participates in β ladder)trans-159.1-175.6-169.8-165.70000113.7F452 V453 C454 H486 W487 L506 L512 L513F452-T508 PolarHBondContact O-N 3.13Å; V453-T508 WeakPolarHBondContact CA-O 3.38Å; C454-T508 PolarHBondContact N-O 3.37Å; H486-T508 PolarHBondContact O-OG1 2.8Å; W487-T508 VanDerWaalsContact CZ3-C 3.46Å; L506-T508 HydrophobicContact CG-CG2 4.42Å; T508-L512 VanDerWaalsContact OG1-CB 3.32Å; T508-L512 WeakPolarHBondContact OG1-CB 3.26Å; T508-L513 HydrophobicContact CG2-CB 3.86Å
509S94.9Very high90.7Very high10 Ų1028.3 Ų28.37%0.0714%0.135CC..  trans-103.9168172.362.20000112.1D511 L512 L513S509-D511 WeakPolarHBondContact CB-OD1 3.43Å; S509-D511 PolarHBondContact O-N 3.26Å; S509-D511 PolarHBondContact OG-OD1 2.85Å; S509-L512 PolarHBondContact O-N 3.08Å; S509-L512 WeakPolarHBondContact OG-CD1 3.41Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.41Å; S509-L513 WeakPolarHBondContact O-CB 3.16Å; S509-L513 PolarHBondContact O-N 3.3Å
510V93.6Very high89.4Confident3 Ų330.9 Ų30.92%0.01815%0.148CC..Hα-helixtrans-58.2-48.2-177.8172.30000112.9V453 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.76Å; V510-L514 WeakPolarHBondContact O-CB 3.4Å; V510-L514 PolarHBondContact O-N 2.87Å; V510-M542 HydrophobicContact CG2-CB 4.05Å; V510-M542 HydrophobicContact CG2-CG 4.11Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; V510-L546 HydrophobicContact CB-CD1 4.3Å; V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.14Å; V510-D549 WeakPolarHBondContact CG1-O 3.12Å; V510-L553 HydrophobicContact CB-CD2 4.42Å; V510-L553 HydrophobicContact CG1-CB 4.25Å; V510-L553 HydrophobicContact CG1-CD2 4.1Å; V510-L553 HydrophobicContact CG2-CD2 4.16Å
511D90.6Very high87.7Confident35 Ų3530.4 Ų30.419%0.18716%0.157CC..Hα-helixtrans-69.3-36.9-176.964.7-45.2000112.4K489 S509 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.49Å; K489-D511 IonicContact NZ-OD2 3.16Å; K489-D511 PolarHBondContact NZ-OD2 3.2Å; S509-D511 WeakPolarHBondContact CB-OD1 3.43Å; S509-D511 PolarHBondContact O-N 3.26Å; S509-D511 PolarHBondContact OG-OD1 2.85Å; D511-Q515 WeakPolarHBondContact O-CB 3.46Å; D511-Q515 PolarHBondContact O-N 3.26Å; D511-L546 HydrophobicContact CB-CD1 3.85Å
512L92.8Very high85.8Confident5 Ų529.8 Ų29.83%0.02617%0.165CC..Hα-helixtrans-71.9-39.3176.8-66.4-178.7000112.1H486 W487 K489 T508 S509 Q515 L516H486-L512 WeakPolarHBondContact O-CD1 3.17Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å; W487-L512 VanDerWaalsContact CA-CD1 3.41Å; K489-L512 HydrophobicContact CB-CD2 4.49Å; K489-L512 HydrophobicContact CD-CD2 4.24Å; K489-L512 HydrophobicContact CG-CD2 3.42Å; K489-L512 VanDerWaalsContact CG-CD2 3.42Å; T508-L512 VanDerWaalsContact OG1-CB 3.32Å; T508-L512 WeakPolarHBondContact OG1-CB 3.26Å; S509-L512 PolarHBondContact O-N 3.08Å; S509-L512 WeakPolarHBondContact OG-CD1 3.41Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.41Å; L512-Q515 WeakPolarHBondContact O-CB 3.27Å; L512-Q515 PolarHBondContact O-N 2.63Å; L512-L516 PolarHBondContact O-N 3.01Å
513L92.9Very high84Confident4 Ų432.7 Ų32.72%0.02120%0.196CC..Hα-helixtrans-61.9-48.8170.2-178.557.3000110.8I451 V453 L506 T508 S509 Q515 L516 L517 L553I451-L513 HydrophobicContact CG2-CD1 4.27Å; I451-L513 HydrophobicContact CG2-CD2 3.94Å; V453-L513 HydrophobicContact CG2-CD2 3.64Å; L506-L513 HydrophobicContact CD2-CD1 4.5Å; T508-L513 HydrophobicContact CG2-CB 3.86Å; S509-L513 WeakPolarHBondContact O-CB 3.16Å; S509-L513 PolarHBondContact O-N 3.3Å; L513-Q515 VanDerWaalsContact C-N 3.26Å; L513-Q515 PolarHBondContact O-N 3.44Å; L513-L516 WeakPolarHBondContact O-CB 3.42Å; L513-L516 PolarHBondContact O-N 2.82Å; L513-L516 VanDerWaalsContact O-N 3.17Å; L513-L517 HydrophobicContact CD1-CD1 4.22Å; L513-L517 HydrophobicContact CD1-CD2 4.48Å; L513-L517 HydrophobicContact CD1-CG 4.1Å; L513-L517 HydrophobicContact CG-CD1 4.02Å; L513-L517 HydrophobicContact CG-CG 4.31Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.28Å; L513-L517 PolarHBondContact O-N 3.18Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.07Å; L513-L553 HydrophobicContact CG-CD1 4.18Å
514L90.3Very high82.8Confident8 Ų834.8 Ų34.84%0.04221%0.21CC..Hα-helixtrans-59.7-36.5175.2-80-178000112.5V510 L517 N518 D549 K552 L553V510-L514 WeakPolarHBondContact O-CB 3.4Å; V510-L514 PolarHBondContact O-N 2.87Å; L514-L517 CarbonylContact O-C 3.56Å; L514-L517 PolarHBondContact O-N 2.78Å; L514-N518 WeakPolarHBondContact O-CB 3.2Å; L514-N518 PolarHBondContact O-N 2.95Å; L514-N518 PolarHBondContact O-ND2 3.09Å; L514-N518 VanDerWaalsContact O-ND2 3.15Å; L514-D549 HydrophobicContact CD1-CB 3.83Å; L514-D549 VanDerWaalsContact CD1-O 3.27Å; L514-D549 WeakPolarHBondContact CD1-O 3.27Å; L514-K552 HydrophobicContact CD1-CB 4.03Å; L514-L553 HydrophobicContact CD1-CB 4.49Å; L514-L553 HydrophobicContact CD2-CB 4.2Å; L514-L553 HydrophobicContact CD2-CD1 4.3Å; L514-L553 HydrophobicContact CG-CB 4.26Å
515Q88.4Confident81.9Confident42 Ų4235.2 Ų35.220%0.19621%0.212CC..Hα-helixtrans-60.3-50.3174-173.8171.5-000110.8K489 L492 D511 L512 L513 L517 N518 H519K489-Q515 VanDerWaalsContact CG-OE1 3.31Å; L492-Q515 HydrophobicContact CD1-CG 4.19Å; L492-Q515 HydrophobicContact CD2-CG 4.31Å; D511-Q515 WeakPolarHBondContact O-CB 3.46Å; D511-Q515 PolarHBondContact O-N 3.26Å; L512-Q515 WeakPolarHBondContact O-CB 3.27Å; L512-Q515 PolarHBondContact O-N 2.63Å; L513-Q515 VanDerWaalsContact C-N 3.26Å; L513-Q515 PolarHBondContact O-N 3.44Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.15Å; Q515-N518 PolarHBondContact O-N 2.75Å; Q515-H519 PolarHBondContact O-CD2 3.06Å; Q515-H519 VanDerWaalsContact O-CD2 3.23Å; Q515-H519 PolarHBondContact O-N 2.91Å
516L88.4Confident81.1Confident0 Ų035.9 Ų35.90%022%0.215CC..Hα-helixtrans-55.4-45.1173.6-73167.9000112.2L492 I495 V496 L499 L506 L512 L513 N518 I525L492-L516 HydrophobicContact CD1-CD2 3.6Å; L492-L516 HydrophobicContact CD1-CG 4.13Å; I495-L516 HydrophobicContact CG2-CD1 4.21Å; I495-L516 HydrophobicContact CG2-CD2 4.07Å; V496-L516 HydrophobicContact CG2-CD2 3.79Å; L499-L516 HydrophobicContact CD1-CD1 4.38Å; L506-L516 HydrophobicContact CD2-CD1 4.07Å; L512-L516 PolarHBondContact O-N 3.01Å; L513-L516 WeakPolarHBondContact O-CB 3.42Å; L513-L516 PolarHBondContact O-N 2.82Å; L513-L516 VanDerWaalsContact O-N 3.17Å; L516-N518 VanDerWaalsContact C-N 3.34Å; L516-N518 PolarHBondContact O-N 2.98Å; L516-I525 HydrophobicContact CD2-CD1 4.4Å; L516-I525 VanDerWaalsContact O-CD1 3.31Å; L516-I525 WeakPolarHBondContact O-CD1 3.48Å
517L84.3Confident80.5Confident10 Ų1039.2 Ų39.25%0.05223%0.233CC..Hα-helixtrans-73.2-19.1-178.8-64-177.4000114.5L513 L514 Q515 F526 L553 R556 M560L513-L517 HydrophobicContact CD1-CD1 4.22Å; L513-L517 HydrophobicContact CD1-CD2 4.48Å; L513-L517 HydrophobicContact CD1-CG 4.1Å; L513-L517 HydrophobicContact CG-CD1 4.02Å; L513-L517 HydrophobicContact CG-CG 4.31Å; L513-L517 VanDerWaalsContact O-CG 3.26Å; L513-L517 WeakPolarHBondContact O-CG 3.28Å; L513-L517 PolarHBondContact O-N 3.18Å; L514-L517 CarbonylContact O-C 3.56Å; L514-L517 PolarHBondContact O-N 2.78Å; Q515-L517 VanDerWaalsContact C-N 3.32Å; Q515-L517 PolarHBondContact O-N 3.15Å; L517-F526 HydrophobicContact CD2-CE1 4.28Å; L517-F526 HydrophobicContact CD2-CZ 3.96Å; L517-L553 HydrophobicContact CD1-CD1 4.18Å; L517-R556 PolarHBondContact O-NH1 3.04Å; L517-M560 HydrophobicContact CD1-SD 3.99Å; L517-M560 HydrophobicContact CD2-CE 3.58Å; L517-M560 HydrophobicContact CD2-SD 3.8Å; L517-M560 HydrophobicContact CG-SD 4.36Å
518N80.4Confident79.9Confident101 Ų10140.5 Ų40.554%0.5424%0.244SC..Hα-helixtrans-95.6-30.4179.1-69.8-19.3000112L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.2Å; L514-N518 PolarHBondContact O-N 2.95Å; L514-N518 PolarHBondContact O-ND2 3.09Å; L514-N518 VanDerWaalsContact O-ND2 3.15Å; Q515-N518 PolarHBondContact O-N 2.75Å; L516-N518 VanDerWaalsContact C-N 3.34Å; L516-N518 PolarHBondContact O-N 2.98Å; N518-N520 PolarHBondContact O-N 2.8Å; N518-R556 PolarHBondContact OD1-NH1 3.43Å
519H70.4Confident79.4Confident110 Ų11044.6 Ų44.651%0.50926%0.263SS..SBendtrans-73-8.8177.3-85.4-77.3000114.1L492 Q515L492-H519 VanDerWaalsContact CD2-CD2 3.47Å; L492-H519 WeakPolarHBondContact CD2-CD2 3.03Å; Q515-H519 PolarHBondContact O-CD2 3.06Å; Q515-H519 VanDerWaalsContact O-CD2 3.23Å; Q515-H519 PolarHBondContact O-N 2.91Å
520N63.4Low79.1Confident53 Ų5344.6 Ų44.628%0.28326%0.263SS..  trans-144.7103.4-178.8-86.6-78.1000111.2N518 V522 S524 I525N518-N520 PolarHBondContact O-N 2.8Å; N520-V522 PolarHBondContact O-N 3.26Å; N520-S524 VanDerWaalsContact CB-OG 3.26Å; N520-S524 WeakPolarHBondContact CB-OG 3.35Å; N520-S524 PolarHBondContact OD1-OG 3.27Å; N520-I525 HydrophobicContact CB-CD1 3.7Å; N520-I525 HydrophobicContact CB-CG1 3.65Å; N520-I525 WeakPolarHBondContact ND2-CD1 3.45Å; N520-I525 WeakPolarHBondContact ND2-CG1 3.45Å
521P53.7Low79Confident112 Ų11244.5 Ų44.573%0.72726%0.263SS*.SBendtrans-62.7-39-168.3-27.835.9000116.1
522V48.5Very low79.2Confident130 Ų13046.9 Ų46.979%0.78827%0.272SS*.SBendtrans-150.3124.7-176.1-173.40000111.1N520 S524N520-V522 PolarHBondContact O-N 3.26Å; V522-S524 PolarHBondContact O-N 3.18Å
523G56.3Low79.3Confident62 Ų6247.1 Ų47.164%0.63927%0.274SS*.SBendtrans62.8-2.2157.500000119.9
524S66.7Low79.4Confident45 Ų4547 Ų4732%0.31527%0.273SS..SBendtrans-83.4-38.5-170.455.80000114.9N520 V522N520-S524 VanDerWaalsContact CB-OG 3.26Å; N520-S524 WeakPolarHBondContact CB-OG 3.35Å; N520-S524 PolarHBondContact OD1-OG 3.27Å; V522-S524 PolarHBondContact O-N 3.18Å
525I75.1Confident79.8Confident9 Ų946.6 Ų46.65%0.04627%0.271CS..SBendtrans-76.9-56.1177.3-52.7175000109.7V496 L499 L516 N520V496-I525 HydrophobicContact CG1-CG1 4.42Å; V496-I525 HydrophobicContact CG2-CD1 4.08Å; L499-I525 HydrophobicContact CB-CG2 3.55Å; L499-I525 HydrophobicContact CD1-CG2 3.87Å; L499-I525 HydrophobicContact CG-CG2 4.38Å; L516-I525 HydrophobicContact CD2-CD1 4.4Å; L516-I525 VanDerWaalsContact O-CD1 3.31Å; L516-I525 WeakPolarHBondContact O-CD1 3.48Å; N520-I525 HydrophobicContact CB-CD1 3.7Å; N520-I525 HydrophobicContact CB-CG1 3.65Å; N520-I525 WeakPolarHBondContact ND2-CD1 3.45Å; N520-I525 WeakPolarHBondContact ND2-CG1 3.45Å
526F80.9Confident80.2Confident14 Ų1444.7 Ų44.76%0.06126%0.262CS..  trans-147.2155.7-174.465.4-100.1000113.2I451 L517 V531 F561I451-F526 HydrophobicContact CD1-CE2 4.04Å; I451-F526 HydrophobicContact CD1-CZ 3.87Å; L517-F526 HydrophobicContact CD2-CE1 4.28Å; L517-F526 HydrophobicContact CD2-CZ 3.96Å; F526-V531 HydrophobicContact CD2-CG2 4.11Å; F526-V531 HydrophobicContact CE2-CG2 3.98Å; F526-F561 HydrophobicContact CE2-CE1 4.17Å; F526-F561 HydrophobicContact CE2-CZ 4.04Å; F526-F561 HydrophobicContact CZ-CZ 4.4Å
527D84.8Confident80.6Confident70 Ų7044.7 Ų44.737%0.37426%0.262SS..  trans-82.7115.8177.2171.119.7000110.5R446 Q529 A530R446-D527 PolarHBondContact O-N 2.98Å; D527-Q529 VanDerWaalsContact C-N 3.27Å; D527-Q529 PolarHBondContact O-N 3.01Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.26Å; D527-Q529 PolarHBondContact OD1-N 3.49Å; D527-A530 HydrophobicContact CB-CB 4.12Å; D527-A530 WeakPolarHBondContact O-CB 3.45Å; D527-A530 PolarHBondContact O-N 2.9Å; D527-A530 VanDerWaalsContact O-N 3.16Å
528A84.4Confident81Confident27 Ų2744.9 Ų44.922%0.22326%0.263CS..THydrogen-bonded Turntrans-67.6-24.2179.400000113.5A530 V531 M560 F561A528-A530 PolarHBondContact O-N 3.23Å; A528-V531 PolarHBondContact O-N 2.93Å; A528-M560 WeakPolarHBondContact CB-O 3.21Å; A528-F561 HydrophobicContact CB-CD1 4.09Å; A528-F561 HydrophobicContact CB-CE1 3.91Å
529Q86.3Confident81.7Confident87 Ų8740.1 Ų40.141%0.40724%0.238SC..THydrogen-bonded Turntrans-74.2-17.2174.9-64-65-42.900112.5D527 K532D527-Q529 VanDerWaalsContact C-N 3.27Å; D527-Q529 PolarHBondContact O-N 3.01Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.26Å; D527-Q529 PolarHBondContact OD1-N 3.49Å; Q529-K532 PolarHBondContact O-NZ 2.91Å
530A88.7Confident82.6Confident9 Ų935.2 Ų35.27%0.07422%0.215CC..THydrogen-bonded Turntrans-82.1-23174.600000113.6D527 A528 K532D527-A530 HydrophobicContact CB-CB 4.12Å; D527-A530 WeakPolarHBondContact O-CB 3.45Å; D527-A530 PolarHBondContact O-N 2.9Å; D527-A530 VanDerWaalsContact O-N 3.16Å; A528-A530 PolarHBondContact O-N 3.23Å; A530-K532 WeakPolarHBondContact O-CG 3.37Å; A530-K532 PolarHBondContact O-N 2.75Å; A530-K532 VanDerWaalsContact O-N 3.1Å
531V92.3Very high83.8Confident2 Ų232.8 Ų32.81%0.01220%0.202CC..  trans-70.4107176.4-178.20000109P448 T449 I451 F526 A528 C533 I534 F561 C568P448-V531 HydrophobicContact CG-CG2 4.41Å; P448-V531 WeakPolarHBondContact O-CG2 3.39Å; T449-V531 CarbonylContact O-C 3.54Å; T449-V531 WeakPolarHBondContact O-CA 3.27Å; I451-V531 HydrophobicContact CD1-CG1 4.2Å; I451-V531 HydrophobicContact CD1-CG2 4.14Å; I451-V531 HydrophobicContact CG1-CG1 4.12Å; I451-V531 HydrophobicContact CG1-CG2 4.38Å; F526-V531 HydrophobicContact CD2-CG2 4.11Å; F526-V531 HydrophobicContact CE2-CG2 3.98Å; A528-V531 PolarHBondContact O-N 2.93Å; V531-C533 WeakPolarHBondContact CG1-O 3.49Å; V531-I534 HydrophobicContact CG1-CD1 4.33Å; V531-I534 HydrophobicContact CG1-CG1 3.85Å; V531-F561 HydrophobicContact CB-CD1 4.03Å; V531-F561 HydrophobicContact CB-CE1 3.76Å; V531-F561 HydrophobicContact CG1-CD1 4.28Å; V531-F561 HydrophobicContact CG1-CE1 4.04Å; V531-F561 HydrophobicContact CG2-CD1 4.47Å; V531-F561 HydrophobicContact CG2-CE1 3.73Å; V531-C568 PolarHBondContact O-SG 3.02Å
532K93.2Very high85.5Confident85 Ų8527.6 Ų27.637%0.3717%0.168SC..  trans-92.5-15.8179.9-56.1-46.8-177.9-170.30113.3T449 Q529 A530 K567 C568 Q569T449-K532 HydrophobicContact CG2-CB 4.4Å; T449-K532 HydrophobicContact CG2-CG 4.19Å; T449-K532 PolarHBondContact O-N 3.44Å; Q529-K532 PolarHBondContact O-NZ 2.91Å; A530-K532 WeakPolarHBondContact O-CG 3.37Å; A530-K532 PolarHBondContact O-N 2.75Å; A530-K532 VanDerWaalsContact O-N 3.1Å; K532-K567 WeakPolarHBondContact CD-O 3.49Å; K532-C568 CarbonylContact O-C 3.55Å; K532-C568 WeakPolarHBondContact O-CA 3.41Å; K532-Q569 PolarHBondContact O-N 2.85Å
533C94.8Very high87.4Confident10 Ų1022.3 Ų22.37%0.06814%0.136CC..EExtended strand (participates in β ladder)trans-149.2138.3-176.4-179.20000111.8C450 I451 V531 Q569 L571C450-C533 VanDerWaalsContact CA-O 3.32Å; C450-C533 WeakPolarHBondContact CA-O 3.46Å; C450-C533 HydrophobicContact CB-CB 4.22Å; C450-C533 PolarHBondContact SG-O 2.63Å; I451-C533 PolarHBondContact N-O 2.81Å; V531-C533 WeakPolarHBondContact CG1-O 3.49Å; C533-Q569 CarbonylContact C-O 3.52Å; C533-Q569 WeakPolarHBondContact CA-O 3.34Å; C533-L571 WeakPolarHBondContact SG-CD1 3.19Å
534I96.4Very high88.6Confident1 Ų126.5 Ų26.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-125.7126.2169.1-59.9180000108.1I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.41Å; I451-I534 CarbonylContact O-C 3.54Å; I451-I534 VanDerWaalsContact O-CA 3.31Å; I451-I534 WeakPolarHBondContact O-CA 3.48Å; V531-I534 HydrophobicContact CG1-CD1 4.33Å; V531-I534 HydrophobicContact CG1-CG1 3.85Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; I534-L557 HydrophobicContact CD1-CD2 3.85Å; I534-L557 HydrophobicContact CG2-CD2 4.42Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.12Å; I534-F561 HydrophobicContact CD1-CD2 3.36Å; I534-F561 HydrophobicContact CD1-CE1 4.36Å; I534-F561 HydrophobicContact CD1-CE2 3.64Å; I534-F561 HydrophobicContact CD1-CG 3.63Å; I534-F561 HydrophobicContact CD1-CZ 4.13Å; I534-L563 HydrophobicContact CD1-CD2 4.36Å; I534-Q569 PolarHBondContact N-O 3.49Å; I534-L570 HydrophobicContact CB-CD1 4.07Å; I534-L570 HydrophobicContact CG2-CD1 4.03Å; I534-L570 WeakPolarHBondContact O-CA 3.24Å; I534-L571 PolarHBondContact O-N 3.07Å
535A97.6Very high89.2Confident0 Ų027.5 Ų27.50%014%0.137CC..EExtended strand (participates in β ladder)trans-114.6126.717700000111.1Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.21Å; I451-A535 PolarHBondContact O-N 2.81Å; F452-A535 HydrophobicContact CD1-CB 4.41Å; F452-A535 HydrophobicContact CD2-CB 3.52Å; F452-A535 HydrophobicContact CE2-CB 3.7Å; F452-A535 HydrophobicContact CG-CB 3.92Å; F452-A535 HydrophobicContact CZ-CB 4.2Å; V453-A535 PolarHBondContact N-O 3.1Å; A535-L571 CarbonylContact C-O 3.26Å; A535-L571 WeakPolarHBondContact CA-O 3.27Å; A535-L571 HydrophobicContact CB-CB 4.19Å; A535-L571 HydrophobicContact CB-CD1 4.35Å
536L97.4Very high89.6Confident1 Ų128.6 Ų28.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-113.387.4174.7-54.6-178.9000108.7V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.89Å; V453-L536 HydrophobicContact CG2-CD2 3.92Å; I534-L536 HydrophobicContact CG2-CD2 4.23Å; L536-L539 HydrophobicContact CD1-CD1 4.44Å; L536-M542 HydrophobicContact CB-CE 4.06Å; L536-L554 HydrophobicContact CD1-CD2 3.71Å; L536-L557 HydrophobicContact CD1-CD1 4.22Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.28Å; L536-L571 PolarHBondContact N-O 3.49Å; L536-V572 HydrophobicContact CB-CG2 4.44Å; L536-V572 HydrophobicContact CD1-CG2 4.42Å; L536-S573 PolarHBondContact O-N 2.86Å
537D96.1Very high89.7Confident1 Ų129.5 Ų29.51%0.00515%0.15CC..THydrogen-bonded Turntrans-84.9129.6-176.5-164.918.5000112.2T423 Y426 F452 V453 P455 I463 M542 S573T423-D537 WeakPolarHBondContact CB-OD2 3.15Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.4Å; T423-D537 PolarHBondContact OG1-OD1 3.03Å; T423-D537 PolarHBondContact OG1-OD2 3.2Å; Y426-D537 WeakPolarHBondContact OH-CB 3.49Å; Y426-D537 PolarHBondContact OH-OD1 3.09Å; Y426-D537 VanDerWaalsContact OH-OD1 3.12Å; F452-D537 HydrophobicContact CE1-CB 3.65Å; F452-D537 HydrophobicContact CZ-CB 3.97Å; V453-D537 PolarHBondContact O-N 3.09Å; P455-D537 WeakPolarHBondContact CD-O 3.17Å; I463-D537 WeakPolarHBondContact CD1-OD2 3.45Å; D537-M542 WeakPolarHBondContact O-CE 3.3Å; D537-S573 WeakPolarHBondContact OD1-CB 3.06Å; D537-S573 PolarHBondContact OD1-OG 2.75Å
538N93.3Very high89.6Confident14 Ų1428 Ų288%0.07514%0.142CC..THydrogen-bonded Turntrans53.851.9-173.5-59.3-53.5000113.7K422 P455 Q459 N540 D541 M542 S573K422-N538 WeakPolarHBondContact CE-OD1 3.43Å; P455-N538 HydrophobicContact CG-CB 3.86Å; Q459-N538 PolarHBondContact OE1-ND2 3.49Å; N538-N540 PolarHBondContact O-N 2.96Å; N538-N540 VanDerWaalsContact O-N 3.09Å; N538-D541 HydrophobicContact CB-CB 4.19Å; N538-D541 WeakPolarHBondContact O-CA 3.33Å; N538-D541 WeakPolarHBondContact O-CB 3.47Å; N538-D541 PolarHBondContact O-N 2.87Å; N538-M542 PolarHBondContact O-N 3.01Å; N538-S573 CarbonylContact C-O 3.28Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.17Å; N538-S573 PolarHBondContact N-O 3.46Å; N538-S573 VanDerWaalsContact N-O 3.08Å; N538-S573 PolarHBondContact N-OG 2.72Å
539L94.5Very high89.7Confident1 Ų128.8 Ų28.81%0.00514%0.142CC..Hα-helixtrans-48.2-38.7179.2179.965.6000114L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.44Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.02Å; L539-M542 HydrophobicContact CD1-SD 4.19Å; L539-M542 WeakPolarHBondContact O-CB 3.45Å; L539-M542 PolarHBondContact O-N 3.45Å; L539-M542 VanDerWaalsContact O-N 3.13Å; L539-V543 HydrophobicContact CD1-CG2 4.39Å; L539-V543 WeakPolarHBondContact O-CG2 3.5Å; L539-V543 PolarHBondContact O-N 3.43Å; L539-T550 HydrophobicContact CD1-CG2 3.85Å; L539-V572 HydrophobicContact CB-CG1 4.11Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L539-S573 PolarHBondContact N-O 3.21Å; L539-L581 HydrophobicContact CD2-CD2 3.96Å; L539-L581 HydrophobicContact CD2-CG 4.33Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; L539-M582 HydrophobicContact CD2-CE 4.26Å; L539-M582 HydrophobicContact CD2-SD 4.48Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.69Å
540N90.1Very high89.9Confident7 Ų724.7 Ų24.74%0.03712%0.123CC..Hα-helixtrans-62.7-34176.4-54.596.7000113N538 R544 G574 R575 I576 H578N538-N540 PolarHBondContact O-N 2.96Å; N538-N540 VanDerWaalsContact O-N 3.09Å; N540-R544 WeakPolarHBondContact O-CB 3.44Å; N540-R544 PolarHBondContact O-N 2.99Å; N540-G574 WeakPolarHBondContact OD1-CA 3.49Å; N540-R575 PolarHBondContact OD1-N 3.08Å; N540-I576 PolarHBondContact ND2-O 3.19Å; N540-I576 PolarHBondContact OD1-N 3.41Å; N540-I576 PolarHBondContact OD1-O 3.32Å; N540-H578 PolarHBondContact ND2-CD2 2.93Å; N540-H578 PolarHBondContact ND2-NE2 3.33Å
541D88.4Confident90Very high2 Ų226.5 Ų26.51%0.01113%0.131CC..Hα-helixtrans-71.3-35.9174.9-72.4-34.7000110.2P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.77Å; P455-D541 HydrophobicContact CG-CB 3.54Å; N538-D541 HydrophobicContact CB-CB 4.19Å; N538-D541 WeakPolarHBondContact O-CA 3.33Å; N538-D541 WeakPolarHBondContact O-CB 3.47Å; N538-D541 PolarHBondContact O-N 2.87Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.02Å; D541-R544 PolarHBondContact O-N 2.9Å; D541-R544 IonicContact OD1-CZ 3.27Å; D541-R544 IonicContact OD1-NH1 3.52Å; D541-R544 PolarHBondContact OD1-NH1 3.42Å; D541-R544 IonicContact OD1-NH2 3.59Å; D541-R544 PolarHBondContact OD1-NH2 2.88Å; D541-V545 WeakPolarHBondContact O-CG2 3.31Å; D541-V545 PolarHBondContact O-N 3.33Å; D541-V545 VanDerWaalsContact O-N 3.09Å; D541-R575 IonicContact OD1-CZ 3.64Å; D541-R575 IonicContact OD1-NE 3.54Å; D541-R575 PolarHBondContact OD1-NE 2.99Å; D541-R575 IonicContact OD1-NH2 3.36Å; D541-R575 PolarHBondContact OD1-NH2 3.46Å; D541-R575 IonicContact OD2-CZ 3.49Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 2.7Å; D541-R575 PolarHBondContact OD2-NE 3.45Å; D541-R575 IonicContact OD2-NH2 3.86Å; D541-R575 PolarHBondContact OD2-NH2 2.98Å
542M90.5Very high89.9Confident3 Ų331 Ų312%0.01515%0.15CC..Hα-helixtrans-60.9-50.3172.4-53-176-162.700111.5V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.16Å; V453-M542 HydrophobicContact CG1-CE 4.05Å; V453-M542 HydrophobicContact CG1-SD 4.01Å; V453-M542 WeakPolarHBondContact O-CE 3.36Å; P455-M542 HydrophobicContact CB-CG 4.21Å; P455-M542 HydrophobicContact CG-CG 4.02Å; V510-M542 HydrophobicContact CG2-CB 4.05Å; V510-M542 HydrophobicContact CG2-CG 4.11Å; V510-M542 HydrophobicContact CG2-SD 3.57Å; V510-M542 VanDerWaalsContact CG2-SD 3.57Å; L536-M542 HydrophobicContact CB-CE 4.06Å; D537-M542 WeakPolarHBondContact O-CE 3.3Å; N538-M542 PolarHBondContact O-N 3.01Å; L539-M542 HydrophobicContact CD1-SD 4.19Å; L539-M542 WeakPolarHBondContact O-CB 3.45Å; L539-M542 PolarHBondContact O-N 3.45Å; L539-M542 VanDerWaalsContact O-N 3.13Å; M542-R544 PolarHBondContact O-N 3.49Å; M542-V545 PolarHBondContact O-N 3.49Å; M542-L546 CarbonylContact O-C 3.57Å; M542-L546 PolarHBondContact O-N 3.22Å; M542-T550 HydrophobicContact CB-CG2 4.08Å; M542-T550 PolarHBondContact O-OG1 2.74Å
543V87.5Confident89.9Confident18 Ų1827 Ų2711%0.10913%0.133CC..Hα-helixtrans-64.6-26.8178.2175.70000112L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.39Å; L539-V543 WeakPolarHBondContact O-CG2 3.5Å; L539-V543 PolarHBondContact O-N 3.43Å; V543-P547 HydrophobicContact CG1-CB 4.48Å; V543-P547 VanDerWaalsContact O-CA 3.3Å; V543-P547 WeakPolarHBondContact O-CA 3.38Å; V543-P547 VanDerWaalsContact O-CB 3.22Å; V543-P547 WeakPolarHBondContact O-CB 3.47Å; V543-P547 VanDerWaalsContact O-CD 3.27Å; V543-P547 WeakPolarHBondContact O-CD 3.27Å; V543-T550 HydrophobicContact CG2-CG2 3.6Å; V543-L581 HydrophobicContact CG2-CD1 4.26Å; V543-L581 HydrophobicContact CG2-CD2 3.83Å
544R80.7Confident89.8Confident150 Ų15026.7 Ų26.757%0.56613%0.131SC*.Hα-helixtrans-72.9-39.8173.4-173.1179.566.6-111.2-8.5112.7N540 D541 M542N540-R544 WeakPolarHBondContact O-CB 3.44Å; N540-R544 PolarHBondContact O-N 2.99Å; D541-R544 PolarHBondContact O-N 2.9Å; D541-R544 IonicContact OD1-CZ 3.27Å; D541-R544 IonicContact OD1-NH1 3.52Å; D541-R544 PolarHBondContact OD1-NH1 3.42Å; D541-R544 IonicContact OD1-NH2 3.59Å; D541-R544 PolarHBondContact OD1-NH2 2.88Å; M542-R544 PolarHBondContact O-N 3.49Å
545V80.1Confident89.5Confident66 Ų6631.9 Ų31.940%0.416%0.155SC..Hα-helixtrans-87.9-36.9-173.6-178.40000111.9D541 M542D541-V545 WeakPolarHBondContact O-CG2 3.31Å; D541-V545 PolarHBondContact O-N 3.33Å; D541-V545 VanDerWaalsContact O-N 3.09Å; M542-V545 PolarHBondContact O-N 3.49Å
546L83.1Confident89.1Confident33 Ų3334.5 Ų34.517%0.17317%0.165CC..  trans-139.162.6-176.6-65.6173.1000110.7V510 D511 M542 N548 D549 T550V510-L546 HydrophobicContact CB-CD1 4.3Å; D511-L546 HydrophobicContact CB-CD1 3.85Å; M542-L546 CarbonylContact O-C 3.57Å; M542-L546 PolarHBondContact O-N 3.22Å; L546-N548 PolarHBondContact O-N 3.28Å; L546-D549 HydrophobicContact CB-CB 4.4Å; L546-D549 PolarHBondContact O-N 2.93Å; L546-T550 VanDerWaalsContact O-CB 3.27Å; L546-T550 WeakPolarHBondContact O-CB 3.37Å; L546-T550 PolarHBondContact O-N 3.42Å; L546-T550 PolarHBondContact O-OG1 2.88Å
547P83Confident88.8Confident33 Ų3334.6 Ų34.621%0.21417%0.165CC..Hα-helixtrans-54.4-51.6-176.915.9-27.4000112.6V543 D549 T550 M551 D967V543-P547 HydrophobicContact CG1-CB 4.48Å; V543-P547 VanDerWaalsContact O-CA 3.3Å; V543-P547 WeakPolarHBondContact O-CA 3.38Å; V543-P547 VanDerWaalsContact O-CB 3.22Å; V543-P547 WeakPolarHBondContact O-CB 3.47Å; V543-P547 VanDerWaalsContact O-CD 3.27Å; V543-P547 WeakPolarHBondContact O-CD 3.27Å; P547-D549 PolarHBondContact O-N 3.43Å; P547-T550 PolarHBondContact O-N 3.04Å; P547-M551 WeakPolarHBondContact O-CG 3.23Å; P547-M551 PolarHBondContact O-N 2.69Å; P547-D967 WeakPolarHBondContact CD-OD1 3.47Å; P547-D967 WeakPolarHBondContact CD-OD2 3.48Å; P547-D967 WeakPolarHBondContact CG-OD2 3.03Å
548N82.4Confident88.4Confident39 Ų3937.8 Ų37.821%0.20919%0.186CC..Hα-helixtrans-63-45.1-175.2-71.8-73.3000112.8L546 M551 K552 D967L546-N548 PolarHBondContact O-N 3.28Å; N548-M551 PolarHBondContact O-N 3.48Å; N548-K552 WeakPolarHBondContact O-CG 3.42Å; N548-K552 PolarHBondContact O-N 3.09Å; N548-K552 VanDerWaalsContact O-N 3.1Å; N548-D967 PolarHBondContact ND2-OD2 2.98Å
549D87.7Confident88.2Confident42 Ų4243.8 Ų43.823%0.22521%0.213CC..Hα-helixtrans-75.2-31.5-179-72.4-14.9000111.5V510 L514 L546 P547 K552 L553V510-D549 VanDerWaalsContact CG1-C 3.49Å; V510-D549 HydrophobicContact CG1-CB 4.14Å; V510-D549 WeakPolarHBondContact CG1-O 3.12Å; L514-D549 HydrophobicContact CD1-CB 3.83Å; L514-D549 VanDerWaalsContact CD1-O 3.27Å; L514-D549 WeakPolarHBondContact CD1-O 3.27Å; L546-D549 HydrophobicContact CB-CB 4.4Å; L546-D549 PolarHBondContact O-N 2.93Å; P547-D549 PolarHBondContact O-N 3.43Å; D549-K552 PolarHBondContact O-N 3.03Å; D549-K552 IonicContact OD1-NZ 2.79Å; D549-K552 PolarHBondContact OD1-NZ 3.37Å; D549-L553 PolarHBondContact O-N 3.41Å
550T91Very high87.7Confident1 Ų146.2 Ų46.21%0.00623%0.225CC..Hα-helixtrans-64.2-42.9171.5-53.20000110.9L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.85Å; M542-T550 HydrophobicContact CB-CG2 4.08Å; M542-T550 PolarHBondContact O-OG1 2.74Å; V543-T550 HydrophobicContact CG2-CG2 3.6Å; L546-T550 VanDerWaalsContact O-CB 3.27Å; L546-T550 WeakPolarHBondContact O-CB 3.37Å; L546-T550 PolarHBondContact O-N 3.42Å; L546-T550 PolarHBondContact O-OG1 2.88Å; P547-T550 PolarHBondContact O-N 3.04Å; T550-L553 PolarHBondContact O-N 3.43Å; T550-L554 WeakPolarHBondContact O-CG 3.02Å; T550-L554 PolarHBondContact O-N 3.42Å
551M90Very high87.6Confident47 Ų4746.3 Ų46.323%0.23223%0.226CC..Hα-helixtrans-63.6-42.1176.6-66.6-44.1-56.900112.7P547 N548 L553 L554 Q555 L581 H585P547-M551 WeakPolarHBondContact O-CG 3.23Å; P547-M551 PolarHBondContact O-N 2.69Å; N548-M551 PolarHBondContact O-N 3.48Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.27Å; M551-L554 HydrophobicContact CE-CD1 4.45Å; M551-L554 PolarHBondContact O-N 3.18Å; M551-L554 HydrophobicContact SD-CD1 4.35Å; M551-Q555 WeakPolarHBondContact O-CG 3.5Å; M551-Q555 PolarHBondContact O-N 3.13Å; M551-L581 HydrophobicContact CE-CD1 4.36Å; M551-L581 HydrophobicContact SD-CD1 3.83Å; M551-H585 HydrophobicContact CE-CB 4.3Å; M551-H585 WeakPolarHBondContact CE-CD2 3.41Å; M551-H585 WeakPolarHBondContact CE-NE2 3.46Å
552K90.6Very high87.5Confident96 Ų9650.9 Ų50.942%0.41725%0.247SC..Hα-helixtrans-60-43.3173.8-69.2168.8-159.4159.10111.9L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.03Å; N548-K552 WeakPolarHBondContact O-CG 3.42Å; N548-K552 PolarHBondContact O-N 3.09Å; N548-K552 VanDerWaalsContact O-N 3.1Å; D549-K552 PolarHBondContact O-N 3.03Å; D549-K552 IonicContact OD1-NZ 2.79Å; D549-K552 PolarHBondContact OD1-NZ 3.37Å; K552-Q555 PolarHBondContact O-N 3.05Å; K552-R556 WeakPolarHBondContact O-CG 3.47Å; K552-R556 PolarHBondContact O-N 3.23Å
553L92.4Very high87.3Confident2 Ų251.5 Ų51.51%0.0125%0.25CS..Hα-helixtrans-59.9-49.3177177.561.8000110.8V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.42Å; V510-L553 HydrophobicContact CG1-CB 4.25Å; V510-L553 HydrophobicContact CG1-CD2 4.1Å; V510-L553 HydrophobicContact CG2-CD2 4.16Å; L513-L553 HydrophobicContact CD2-CD1 3.72Å; L513-L553 HydrophobicContact CD2-CD2 4.07Å; L513-L553 HydrophobicContact CG-CD1 4.18Å; L514-L553 HydrophobicContact CD1-CB 4.49Å; L514-L553 HydrophobicContact CD2-CB 4.2Å; L514-L553 HydrophobicContact CD2-CD1 4.3Å; L514-L553 HydrophobicContact CG-CB 4.26Å; L517-L553 HydrophobicContact CD1-CD1 4.18Å; D549-L553 PolarHBondContact O-N 3.41Å; T550-L553 PolarHBondContact O-N 3.43Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.27Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 3.48Å; L553-R556 PolarHBondContact O-N 2.73Å; L553-R556 VanDerWaalsContact O-N 3.09Å; L553-L557 HydrophobicContact CD1-CD2 4.33Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 3.47Å
554L92.9Very high86.9Confident4 Ų453.7 Ų53.72%0.02126%0.264CS..Hα-helixtrans-59.8-35.2178.9-66.8-179.9000113L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.71Å; T550-L554 WeakPolarHBondContact O-CG 3.02Å; T550-L554 PolarHBondContact O-N 3.42Å; M551-L554 HydrophobicContact CE-CD1 4.45Å; M551-L554 PolarHBondContact O-N 3.18Å; M551-L554 HydrophobicContact SD-CD1 4.35Å; L554-L557 HydrophobicContact CD2-CD1 4.07Å; L554-P558 VanDerWaalsContact O-CD 3.27Å; L554-P558 WeakPolarHBondContact O-CD 3.22Å; L554-L581 HydrophobicContact CD1-CD1 3.68Å; L554-H585 HydrophobicContact CD1-CB 4.22Å; L554-I586 HydrophobicContact CD1-CD1 3.8Å; L554-I586 HydrophobicContact CD2-CD1 3.51Å; L554-I586 HydrophobicContact CG-CD1 4.3Å
555Q90.9Very high86.4Confident110 Ų11049.2 Ų49.251%0.51425%0.249SC..Hα-helixtrans-67.9-40173.9-72.4169.7-18.200112.5M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.5Å; M551-Q555 PolarHBondContact O-N 3.13Å; K552-Q555 PolarHBondContact O-N 3.05Å; L553-Q555 VanDerWaalsContact C-N 3.27Å; L553-Q555 PolarHBondContact O-N 3.48Å; Q555-P558 WeakPolarHBondContact O-CD 3.19Å; Q555-P558 WeakPolarHBondContact O-CG 3.14Å
556R88.9Confident86.2Confident55 Ų5553 Ų5321%0.20827%0.267CS..Hα-helixtrans-77.1-23.3179.8-65.4-161.972.4-162.5-8.5114.5L517 N518 K552 L553 E559 M560L517-R556 PolarHBondContact O-NH1 3.04Å; N518-R556 PolarHBondContact OD1-NH1 3.43Å; K552-R556 WeakPolarHBondContact O-CG 3.47Å; K552-R556 PolarHBondContact O-N 3.23Å; L553-R556 PolarHBondContact O-N 2.73Å; L553-R556 VanDerWaalsContact O-N 3.09Å; R556-E559 IonicContact NE-OE2 3.54Å; R556-E559 WeakPolarHBondContact O-CB 3.27Å; R556-E559 PolarHBondContact O-N 3.13Å; R556-M560 WeakPolarHBondContact O-CG 3.45Å; R556-M560 PolarHBondContact O-N 3.48Å
557L89.9Confident86.3Confident3 Ų356 Ų562%0.01628%0.278CS..Hα-helixtrans-52.7-52.7179.1-75.9-179000114.1I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.85Å; I534-L557 HydrophobicContact CG2-CD2 4.42Å; L536-L557 HydrophobicContact CD1-CD1 4.22Å; L553-L557 HydrophobicContact CD1-CD2 4.33Å; L553-L557 WeakPolarHBondContact O-CG 3.45Å; L553-L557 PolarHBondContact O-N 3.47Å; L554-L557 HydrophobicContact CD2-CD1 4.07Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 3.19Å; L557-M560 PolarHBondContact O-N 3.11Å; L557-F561 HydrophobicContact CD2-CD2 3.93Å; L557-F561 HydrophobicContact CD2-CE2 3.99Å; L557-F561 WeakPolarHBondContact O-CD2 3.36Å; L557-F561 PolarHBondContact O-N 2.74Å; L557-L563 HydrophobicContact CB-CD1 4.35Å
558P88.9Confident86.7Confident68 Ų6854.5 Ų54.544%0.44227%0.269SS..Hα-helixtrans-68.8-23.217826.5-36000114.4L554 Q555 M560 L589L554-P558 VanDerWaalsContact O-CD 3.27Å; L554-P558 WeakPolarHBondContact O-CD 3.22Å; Q555-P558 WeakPolarHBondContact O-CD 3.19Å; Q555-P558 WeakPolarHBondContact O-CG 3.14Å; P558-M560 PolarHBondContact O-N 3.25Å; P558-L589 HydrophobicContact CB-CD2 3.85Å; P558-L589 HydrophobicContact CG-CD2 3.88Å
559E88.1Confident87.2Confident139 Ų13953.1 Ų53.165%0.6526%0.261SS*.Hα-helixtrans-67.5-30.6173.9-55175.1161.200111.5R556 L557R556-E559 IonicContact NE-OE2 3.54Å; R556-E559 WeakPolarHBondContact O-CB 3.27Å; R556-E559 PolarHBondContact O-N 3.13Å; L557-E559 VanDerWaalsContact C-N 3.31Å; L557-E559 PolarHBondContact O-N 3.19Å
560M83.7Confident87.6Confident53 Ų5351.1 Ų51.126%0.26125%0.251SS..Hα-helixtrans-103.1-33.3-171.4-64.7-165.662.500113.8L517 A528 R556 L557 P558L517-M560 HydrophobicContact CD1-SD 3.99Å; L517-M560 HydrophobicContact CD2-CE 3.58Å; L517-M560 HydrophobicContact CD2-SD 3.8Å; L517-M560 HydrophobicContact CG-SD 4.36Å; A528-M560 WeakPolarHBondContact CB-O 3.21Å; R556-M560 WeakPolarHBondContact O-CG 3.45Å; R556-M560 PolarHBondContact O-N 3.48Å; L557-M560 PolarHBondContact O-N 3.11Å; P558-M560 PolarHBondContact O-N 3.25Å
561F88.1Confident87.9Confident9 Ų951 Ų514%0.03925%0.25CS..  trans-126.7136.3-168.5-55-73000112.6I451 F526 A528 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.4Å; I451-F561 HydrophobicContact CD1-CZ 3.81Å; F526-F561 HydrophobicContact CE2-CE1 4.17Å; F526-F561 HydrophobicContact CE2-CZ 4.04Å; F526-F561 HydrophobicContact CZ-CZ 4.4Å; A528-F561 HydrophobicContact CB-CD1 4.09Å; A528-F561 HydrophobicContact CB-CE1 3.91Å; V531-F561 HydrophobicContact CB-CD1 4.03Å; V531-F561 HydrophobicContact CB-CE1 3.76Å; V531-F561 HydrophobicContact CG1-CD1 4.28Å; V531-F561 HydrophobicContact CG1-CE1 4.04Å; V531-F561 HydrophobicContact CG2-CD1 4.47Å; V531-F561 HydrophobicContact CG2-CE1 3.73Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.12Å; I534-F561 HydrophobicContact CD1-CD2 3.36Å; I534-F561 HydrophobicContact CD1-CE1 4.36Å; I534-F561 HydrophobicContact CD1-CE2 3.64Å; I534-F561 HydrophobicContact CD1-CG 3.63Å; I534-F561 HydrophobicContact CD1-CZ 4.13Å; L557-F561 HydrophobicContact CD2-CD2 3.93Å; L557-F561 HydrophobicContact CD2-CE2 3.99Å; L557-F561 WeakPolarHBondContact O-CD2 3.36Å; L557-F561 PolarHBondContact O-N 2.74Å; F561-L563 HydrophobicContact CB-CD2 3.89Å; F561-L563 HydrophobicContact CB-CG 4.21Å; F561-L563 PolarHBondContact O-N 3.49Å; F561-L563 VanDerWaalsContact O-N 3.07Å
562Q87.4Confident88.2Confident98 Ų9848.8 Ų48.846%0.45824%0.239SC..  trans-81.484.2174.4-68.6177.97.400110.1T564 K567 C568Q562-T564 PolarHBondContact O-N 3.43Å; Q562-K567 HydrophobicContact CB-CB 4Å; Q562-K567 HydrophobicContact CB-CG 4.21Å; Q562-K567 WeakPolarHBondContact O-CB 3.35Å; Q562-C568 PolarHBondContact O-N 3.03Å
563L86.7Confident88.5Confident16 Ų1644.2 Ų44.28%0.08422%0.219CC..  trans-75.483.3-173.4-59.3175.2000112.3I534 L557 F561 C568 L570 L589I534-L563 HydrophobicContact CD1-CD2 4.36Å; L557-L563 HydrophobicContact CB-CD1 4.35Å; F561-L563 HydrophobicContact CB-CD2 3.89Å; F561-L563 HydrophobicContact CB-CG 4.21Å; F561-L563 PolarHBondContact O-N 3.49Å; F561-L563 VanDerWaalsContact O-N 3.07Å; L563-C568 WeakPolarHBondContact CA-O 3.25Å; L563-C568 HydrophobicContact CD2-CB 4.05Å; L563-L570 HydrophobicContact CD1-CD2 4.37Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.13Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.27Å
564T79.4Confident88.6Confident64 Ų6444.1 Ų44.139%0.39322%0.219SC..SBendtrans-147.2157.6-179.459.90000110.9Q562 N566 K567 C568Q562-T564 PolarHBondContact O-N 3.43Å; T564-N566 PolarHBondContact O-N 3.32Å; T564-K567 PolarHBondContact O-N 3.19Å; T564-K567 WeakPolarHBondContact OG1-CB 3.4Å; T564-K567 WeakPolarHBondContact OG1-CG 3.34Å; T564-C568 PolarHBondContact N-O 3.2Å; T564-C568 PolarHBondContact O-N 3.2Å
565Q69.2Low88.5Confident56 Ų5647.2 Ų47.226%0.26223%0.23SC..THydrogen-bonded Turntrans-49.8-31.1-170.9-175.7-177.8-26.200115.2K410K410-Q565 VanDerWaalsContact CE-NE2 3.28Å; K410-Q565 HydrophobicContact CG-CG 3.82Å
566N75.7Confident88.6Confident146 Ų14643.3 Ų43.378%0.78121%0.212SC*.THydrogen-bonded Turntrans-111.111.2-175-61.9-18.2000113.8T564T564-N566 PolarHBondContact O-N 3.32Å
567K85.8Confident88.7Confident94 Ų9440.7 Ų40.741%0.40920%0.203SC..THydrogen-bonded Turntrans-126.3-66.9-176.7-69.7-68.2-168.11690111.7K532 Q562 T564K532-K567 WeakPolarHBondContact CD-O 3.49Å; Q562-K567 HydrophobicContact CB-CB 4Å; Q562-K567 HydrophobicContact CB-CG 4.21Å; Q562-K567 WeakPolarHBondContact O-CB 3.35Å; T564-K567 PolarHBondContact O-N 3.19Å; T564-K567 WeakPolarHBondContact OG1-CB 3.4Å; T564-K567 WeakPolarHBondContact OG1-CG 3.34Å
568C91.2Very high88.6Confident3 Ų341.8 Ų41.82%0.0221%0.208CC..  trans-143.2114.1178.9-174.90000109.5V531 K532 Q562 L563 T564V531-C568 PolarHBondContact O-SG 3.02Å; K532-C568 CarbonylContact O-C 3.55Å; K532-C568 WeakPolarHBondContact O-CA 3.41Å; Q562-C568 PolarHBondContact O-N 3.03Å; L563-C568 WeakPolarHBondContact CA-O 3.25Å; L563-C568 HydrophobicContact CD2-CB 4.05Å; T564-C568 PolarHBondContact N-O 3.2Å; T564-C568 PolarHBondContact O-N 3.2Å
569Q93.2Very high88.5Confident9 Ų940 Ų404%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-77.1136177.3-174175.618.900109.9V406 G409 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 2.78Å; G409-Q569 WeakPolarHBondContact O-CG 3.33Å; K410-Q569 PolarHBondContact O-NE2 3.19Å; K532-Q569 PolarHBondContact O-N 2.85Å; C533-Q569 CarbonylContact C-O 3.52Å; C533-Q569 WeakPolarHBondContact CA-O 3.34Å; I534-Q569 PolarHBondContact N-O 3.49Å; Q569-L571 HydrophobicContact CG-CD2 3.89Å; Q569-L571 HydrophobicContact CG-CG 4.31Å
570L95.9Very high88.3Confident0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-107.4127.7172.8-175.658.5000109.7S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.29Å; S411-L570 WeakPolarHBondContact CB-O 3.38Å; S411-L570 PolarHBondContact OG-N 2.57Å; S411-L570 VanDerWaalsContact OG-N 3.15Å; S411-L570 PolarHBondContact OG-O 2.75Å; V412-L570 PolarHBondContact N-O 2.71Å; I534-L570 HydrophobicContact CB-CD1 4.07Å; I534-L570 HydrophobicContact CG2-CD1 4.03Å; I534-L570 WeakPolarHBondContact O-CA 3.24Å; L536-L570 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CG-CD1 4.28Å; L563-L570 HydrophobicContact CD1-CD2 4.37Å; L570-V572 HydrophobicContact CD1-CG2 4.26Å; L570-V572 HydrophobicContact CD2-CG2 4.31Å; L570-V572 HydrophobicContact CG-CG2 3.91Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.21Å; L570-M590 HydrophobicContact CB-CE 4.46Å; L570-M590 HydrophobicContact CB-CG 4.21Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.16Å; L570-M590 HydrophobicContact CG-CE 4.37Å; L570-M590 HydrophobicContact CG-CG 4.22Å; L570-M590 HydrophobicContact CG-SD 4.42Å; L570-M590 WeakPolarHBondContact O-CE 3.32Å
571L97.2Very high88.6Confident0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-119.9122.7-179.7-53.7170.7000108V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 3.98Å; V406-L571 HydrophobicContact CG2-CD2 4.19Å; V412-L571 HydrophobicContact CG1-CD2 3.77Å; Y426-L571 HydrophobicContact CD1-CB 4.37Å; Y426-L571 HydrophobicContact CD2-CB 4.26Å; Y426-L571 HydrophobicContact CD2-CD1 3.77Å; Y426-L571 HydrophobicContact CE2-CB 4.49Å; Y426-L571 HydrophobicContact CG-CB 4.19Å; Y426-L571 HydrophobicContact CG-CD1 3.91Å; Y426-L571 HydrophobicContact CG-CD2 4.48Å; Y426-L571 HydrophobicContact CG-CG 4.44Å; V430-L571 HydrophobicContact CG2-CD1 3.32Å; C533-L571 WeakPolarHBondContact SG-CD1 3.19Å; I534-L571 PolarHBondContact O-N 3.07Å; A535-L571 CarbonylContact C-O 3.26Å; A535-L571 WeakPolarHBondContact CA-O 3.27Å; A535-L571 HydrophobicContact CB-CB 4.19Å; A535-L571 HydrophobicContact CB-CD1 4.35Å; L536-L571 PolarHBondContact N-O 3.49Å; Q569-L571 HydrophobicContact CG-CD2 3.89Å; Q569-L571 HydrophobicContact CG-CG 4.31Å
572V97.1Very high88.7Confident0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-128.8136.5-176.4-172.80000110V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 3.3Å; L413-V572 CarbonylContact C-O 3.54Å; L413-V572 WeakPolarHBondContact CA-O 3.38Å; L413-V572 HydrophobicContact CD1-CB 3.7Å; L413-V572 HydrophobicContact CD1-CG1 3.58Å; V414-V572 PolarHBondContact N-O 2.91Å; L536-V572 HydrophobicContact CB-CG2 4.44Å; L536-V572 HydrophobicContact CD1-CG2 4.42Å; L539-V572 HydrophobicContact CB-CG1 4.11Å; L539-V572 HydrophobicContact CD2-CG1 3.83Å; L570-V572 HydrophobicContact CD1-CG2 4.26Å; L570-V572 HydrophobicContact CD2-CG2 4.31Å; L570-V572 HydrophobicContact CG-CG2 3.91Å; V572-I586 HydrophobicContact CB-CG2 4.49Å; V572-I586 HydrophobicContact CG1-CG2 4.4Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; V572-M590 HydrophobicContact CB-CE 4.49Å; V572-M590 HydrophobicContact CG2-CE 4Å; V572-M590 HydrophobicContact CG2-SD 4.06Å
573S96.5Very high88.6Confident0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-127.6139.2177.2140.80000109.3V414 K422 Y426 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.5Å; V414-S573 WeakPolarHBondContact O-CA 3.37Å; K422-S573 VanDerWaalsContact CE-OG 3.27Å; K422-S573 WeakPolarHBondContact CE-OG 3.48Å; Y426-S573 WeakPolarHBondContact OH-CB 3.38Å; L536-S573 PolarHBondContact O-N 2.86Å; D537-S573 WeakPolarHBondContact OD1-CB 3.06Å; D537-S573 PolarHBondContact OD1-OG 2.75Å; N538-S573 CarbonylContact C-O 3.28Å; N538-S573 VanDerWaalsContact CA-O 3.23Å; N538-S573 WeakPolarHBondContact CA-O 3.17Å; N538-S573 PolarHBondContact N-O 3.46Å; N538-S573 VanDerWaalsContact N-O 3.08Å; N538-S573 PolarHBondContact N-OG 2.72Å; L539-S573 PolarHBondContact N-O 3.21Å
574G94.5Very high88.6Confident0 Ų035.9 Ų35.90%018%0.18CC..EExtended strand (participates in β ladder)trans-144.7161.9-175.600000112.9V414 G416 K422 N540V414-G574 PolarHBondContact O-N 3.25Å; G416-G574 PolarHBondContact N-O 3.42Å; G416-G574 VanDerWaalsContact N-O 3.14Å; K422-G574 WeakPolarHBondContact CD-O 3.44Å; K422-G574 WeakPolarHBondContact CE-O 3.49Å; K422-G574 PolarHBondContact NZ-O 3.04Å; K422-G574 VanDerWaalsContact NZ-O 3.15Å; N540-G574 WeakPolarHBondContact OD1-CA 3.49Å
575R90.9Very high89.1Confident69 Ų6935.6 Ų35.626%0.2617%0.174SC..SBendtrans-96.1-32.1169.9-61.1-169.7-161.6-162.28.5112.9G416 N540 D541G416-R575 WeakPolarHBondContact O-CA 3.5Å; N540-R575 PolarHBondContact OD1-N 3.08Å; D541-R575 IonicContact OD1-CZ 3.64Å; D541-R575 IonicContact OD1-NE 3.54Å; D541-R575 PolarHBondContact OD1-NE 2.99Å; D541-R575 IonicContact OD1-NH2 3.36Å; D541-R575 PolarHBondContact OD1-NH2 3.46Å; D541-R575 IonicContact OD2-CZ 3.49Å; D541-R575 VanDerWaalsContact OD2-CZ 3.23Å; D541-R575 IonicContact OD2-NE 2.7Å; D541-R575 PolarHBondContact OD2-NE 3.45Å; D541-R575 IonicContact OD2-NH2 3.86Å; D541-R575 PolarHBondContact OD2-NH2 2.98Å
576I91.5Very high90.2Very high27 Ų2732.9 Ų32.914%0.13816%0.162CC..SBendtrans-137.6139.2-165.2-52.6164.6000108.6N540 H578 E602 K762 H763N540-I576 PolarHBondContact ND2-O 3.19Å; N540-I576 PolarHBondContact OD1-N 3.41Å; N540-I576 PolarHBondContact OD1-O 3.32Å; I576-H578 VanDerWaalsContact CG2-CD2 3.48Å; I576-H578 WeakPolarHBondContact CG2-CD2 3.45Å; I576-H578 PolarHBondContact O-N 2.93Å; I576-H578 VanDerWaalsContact O-N 3.11Å; I576-E602 VanDerWaalsContact CA-OE2 3.28Å; I576-E602 WeakPolarHBondContact CA-OE2 3.38Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.29Å; I576-K762 HydrophobicContact CD1-CB 4.48Å; I576-K762 HydrophobicContact CD1-CD 3.9Å; I576-K762 HydrophobicContact CD1-CG 4.34Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.45Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.46Å
577W91.8Very high90.9Very high1 Ų126.6 Ų26.60%0.00413%0.128CC..  trans-78.385.6172.2-172.8-96000111.5L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763L413-W577 HydrophobicContact CD2-CH2 4.14Å; L413-W577 HydrophobicContact CD2-CZ3 3.65Å; V415-W577 HydrophobicContact CG2-CE3 4.11Å; W577-T579 PolarHBondContact NE1-OG1 3.37Å; W577-T579 PolarHBondContact O-N 3.18Å; W577-T579 VanDerWaalsContact O-N 3.11Å; W577-M582 HydrophobicContact CD2-CB 4.37Å; W577-M582 HydrophobicContact CD2-CG 4.15Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.98Å; W577-M582 HydrophobicContact CH2-CB 3.82Å; W577-M582 HydrophobicContact CH2-CG 4.31Å; W577-M582 HydrophobicContact CZ2-CB 3.74Å; W577-M582 HydrophobicContact CZ2-CG 4.39Å; W577-M582 HydrophobicContact CZ3-CB 4.11Å; W577-M582 HydrophobicContact CZ3-CG 4.09Å; W577-V583 HydrophobicContact CZ2-CG2 4.31Å; W577-L587 HydrophobicContact CH2-CD1 3.84Å; W577-L587 HydrophobicContact CZ2-CD1 4.22Å; W577-V595 HydrophobicContact CH2-CG1 4.37Å; W577-V595 HydrophobicContact CZ3-CG1 3.91Å; W577-F597 HydrophobicContact CB-CE1 4.18Å; W577-F597 AromaticContact CD2-CE1 3.86Å; W577-F597 HydrophobicContact CD2-CE1 3.86Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.39Å; W577-F597 HydrophobicContact CE3-CE1 3.39Å; W577-F597 AromaticContact CE3-CZ 3.36Å; W577-F597 HydrophobicContact CE3-CZ 3.36Å; W577-F597 HydrophobicContact CG-CE1 4.18Å; W577-F597 HydrophobicContact CH2-CZ 4.19Å; W577-F597 HydrophobicContact CZ3-CE1 4.01Å; W577-F597 HydrophobicContact CZ3-CE2 4.49Å; W577-F597 AromaticContact CZ3-CZ 3.51Å; W577-F597 HydrophobicContact CZ3-CZ 3.51Å; W577-E602 PolarHBondContact N-OE2 3.25Å; W577-Y606 HydrophobicContact CD2-CD2 4.4Å; W577-Y606 AromaticContact CE2-CD2 3.71Å; W577-Y606 AromaticContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CE2 4.16Å; W577-Y606 AromaticContact CZ2-CD2 3.39Å; W577-Y606 HydrophobicContact CZ2-CD2 3.39Å; W577-Y606 HydrophobicContact CZ2-CE2 4.01Å; W577-Y606 HydrophobicContact CZ2-CG 4.35Å; W577-Y606 HydrophobicContact CZ3-CD2 4.48Å; W577-H763 PolarHBondContact O-CE1 3.29Å; W577-H763 VanDerWaalsContact O-CE1 3.3Å; W577-H763 PolarHBondContact O-ND1 3.13Å
578H88.1Confident91Very high25 Ų2526.3 Ų26.312%0.11614%0.135CC..  trans-78.794.4171-74.6-148.3000108.8N540 I576 D580 L581 M582N540-H578 PolarHBondContact ND2-CD2 2.93Å; N540-H578 PolarHBondContact ND2-NE2 3.33Å; I576-H578 VanDerWaalsContact CG2-CD2 3.48Å; I576-H578 WeakPolarHBondContact CG2-CD2 3.45Å; I576-H578 PolarHBondContact O-N 2.93Å; I576-H578 VanDerWaalsContact O-N 3.11Å; H578-D580 PolarHBondContact O-N 3.45Å; H578-L581 HydrophobicContact CB-CB 3.88Å; H578-L581 HydrophobicContact CB-CD2 4.24Å; H578-L581 WeakPolarHBondContact O-CB 3.13Å; H578-L581 PolarHBondContact O-N 2.94Å; H578-L581 VanDerWaalsContact O-N 3.13Å; H578-M582 WeakPolarHBondContact O-CG 3.28Å; H578-M582 PolarHBondContact O-N 3.16Å
579T86.7Confident90.9Very high31 Ų3127.1 Ų27.119%0.1914%0.14CC..Hα-helixtrans-42.7-59.3-175.7-68.60000113.7V342 W577 L581 M582 V583V342-T579 HydrophobicContact CB-CG2 4.27Å; V342-T579 HydrophobicContact CG1-CG2 3.81Å; V342-T579 HydrophobicContact CG2-CG2 3.4Å; V342-T579 VanDerWaalsContact CG2-CG2 3.4Å; W577-T579 PolarHBondContact NE1-OG1 3.37Å; W577-T579 PolarHBondContact O-N 3.18Å; W577-T579 VanDerWaalsContact O-N 3.11Å; T579-L581 VanDerWaalsContact C-N 3.31Å; T579-L581 PolarHBondContact O-N 2.89Å; T579-M582 PolarHBondContact O-N 2.96Å; T579-V583 HydrophobicContact CG2-CG2 4.23Å; T579-V583 WeakPolarHBondContact O-CB 2.98Å; T579-V583 WeakPolarHBondContact O-CG2 3.43Å; T579-V583 PolarHBondContact O-N 3.33Å
580D84.4Confident90.8Very high53 Ų5326.9 Ų26.928%0.28314%0.138SC..Hα-helixtrans-56.8-46.1-175.7-48.4-27.1000111.6H578 Q584 K764H578-D580 PolarHBondContact O-N 3.45Å; D580-Q584 WeakPolarHBondContact O-CB 3.29Å; D580-Q584 WeakPolarHBondContact O-CG 3.39Å; D580-Q584 PolarHBondContact O-N 2.82Å; D580-K764 WeakPolarHBondContact OD2-CE 3.42Å; D580-K764 IonicContact OD2-NZ 3.7Å; D580-K764 PolarHBondContact OD2-NZ 3.32Å
581L88.4Confident90.1Very high6 Ų629.5 Ų29.53%0.03116%0.155CC..Iπ-helixtrans-61.5-49.6179178.568.2000111.1L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD2 3.96Å; L539-L581 HydrophobicContact CD2-CG 4.33Å; L539-L581 HydrophobicContact CG-CD2 4.17Å; V543-L581 HydrophobicContact CG2-CD1 4.26Å; V543-L581 HydrophobicContact CG2-CD2 3.83Å; M551-L581 HydrophobicContact CE-CD1 4.36Å; M551-L581 HydrophobicContact SD-CD1 3.83Å; L554-L581 HydrophobicContact CD1-CD1 3.68Å; H578-L581 HydrophobicContact CB-CB 3.88Å; H578-L581 HydrophobicContact CB-CD2 4.24Å; H578-L581 WeakPolarHBondContact O-CB 3.13Å; H578-L581 PolarHBondContact O-N 2.94Å; H578-L581 VanDerWaalsContact O-N 3.13Å; T579-L581 VanDerWaalsContact C-N 3.31Å; T579-L581 PolarHBondContact O-N 2.89Å; L581-H585 WeakPolarHBondContact O-CB 3.28Å; L581-H585 PolarHBondContact O-N 2.82Å; L581-I586 PolarHBondContact O-N 3.44Å
582M90.4Very high89.4Confident0 Ų031.1 Ų31.10%016%0.164CC..Iπ-helixtrans-69.9-46.8-175-62.4-58.6173.200111.2L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.04Å; L413-M582 HydrophobicContact CD2-SD 4.03Å; L539-M582 HydrophobicContact CD2-CE 4.26Å; L539-M582 HydrophobicContact CD2-SD 4.48Å; W577-M582 HydrophobicContact CD2-CB 4.37Å; W577-M582 HydrophobicContact CD2-CG 4.15Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.98Å; W577-M582 HydrophobicContact CH2-CB 3.82Å; W577-M582 HydrophobicContact CH2-CG 4.31Å; W577-M582 HydrophobicContact CZ2-CB 3.74Å; W577-M582 HydrophobicContact CZ2-CG 4.39Å; W577-M582 HydrophobicContact CZ3-CB 4.11Å; W577-M582 HydrophobicContact CZ3-CG 4.09Å; H578-M582 WeakPolarHBondContact O-CG 3.28Å; H578-M582 PolarHBondContact O-N 3.16Å; T579-M582 PolarHBondContact O-N 2.96Å; M582-I586 PolarHBondContact O-N 2.94Å; M582-I586 HydrophobicContact SD-CB 4.37Å; M582-I586 HydrophobicContact SD-CG1 4.18Å; M582-I586 HydrophobicContact SD-CG2 4.5Å; M582-L587 WeakPolarHBondContact O-CB 3.39Å; M582-L587 VanDerWaalsContact O-CG 3.24Å; M582-L587 WeakPolarHBondContact O-CG 3.31Å; M582-L587 PolarHBondContact O-N 3.23Å
583V86.7Confident89.1Confident45 Ų4531.4 Ų31.427%0.27317%0.166SC..Iπ-helixtrans-77.4-40.4-174.4179.40000112.5V342 F345 W577 T579 L587 P588V342-V583 HydrophobicContact CG1-CG2 4.4Å; F345-V583 HydrophobicContact CZ-CG1 4.44Å; W577-V583 HydrophobicContact CZ2-CG2 4.31Å; T579-V583 HydrophobicContact CG2-CG2 4.23Å; T579-V583 WeakPolarHBondContact O-CB 2.98Å; T579-V583 WeakPolarHBondContact O-CG2 3.43Å; T579-V583 PolarHBondContact O-N 3.33Å; V583-L587 HydrophobicContact CG2-CD1 4.46Å; V583-P588 WeakPolarHBondContact O-CD 3.34Å; V583-P588 WeakPolarHBondContact O-CG 3.26Å
584Q86.1Confident89.1Confident124 Ų12431.4 Ų31.458%0.57917%0.166SC*.Iπ-helixtrans-89.7-26.7-174.4-54176.42.300113.3D580D580-Q584 WeakPolarHBondContact O-CB 3.29Å; D580-Q584 WeakPolarHBondContact O-CG 3.39Å; D580-Q584 PolarHBondContact O-N 2.82Å
585H88.8Confident89.1Confident58 Ų5831.5 Ų31.527%0.26917%0.166SC..Iπ-helixtrans-124.1-24.5-170.5-58.2-73.4000115.8M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.3Å; M551-H585 WeakPolarHBondContact CE-CD2 3.41Å; M551-H585 WeakPolarHBondContact CE-NE2 3.46Å; L554-H585 HydrophobicContact CD1-CB 4.22Å; L581-H585 WeakPolarHBondContact O-CB 3.28Å; L581-H585 PolarHBondContact O-N 2.82Å; H585-L589 VanDerWaalsContact O-CD1 3.29Å; H585-L589 WeakPolarHBondContact O-CD1 3.4Å; H585-L589 WeakPolarHBondContact O-CG 3.42Å
586I92.8Very high89.3Confident0 Ų028.2 Ų28.20%015%0.154CC..Iπ-helixtrans-101.5-57-176.9-61.1-61.2000112L539 L554 V572 L581 M582 P588 L589 M590L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.69Å; L554-I586 HydrophobicContact CD1-CD1 3.8Å; L554-I586 HydrophobicContact CD2-CD1 3.51Å; L554-I586 HydrophobicContact CG-CD1 4.3Å; V572-I586 HydrophobicContact CB-CG2 4.49Å; V572-I586 HydrophobicContact CG1-CG2 4.4Å; V572-I586 HydrophobicContact CG2-CG2 3.99Å; L581-I586 PolarHBondContact O-N 3.44Å; M582-I586 PolarHBondContact O-N 2.94Å; M582-I586 HydrophobicContact SD-CB 4.37Å; M582-I586 HydrophobicContact SD-CG1 4.18Å; M582-I586 HydrophobicContact SD-CG2 4.5Å; I586-P588 VanDerWaalsContact C-CD 3.45Å; I586-L589 WeakPolarHBondContact O-CA 3.42Å; I586-L589 VanDerWaalsContact O-CB 3.28Å; I586-L589 WeakPolarHBondContact O-CB 3.11Å; I586-L589 PolarHBondContact O-N 3Å; I586-M590 HydrophobicContact CG2-SD 3.47Å; I586-M590 WeakPolarHBondContact CG2-SD 3.42Å; I586-M590 WeakPolarHBondContact O-CG 3.47Å
587L90.3Very high89.5Confident14 Ų1427 Ų277%0.07315%0.148CC..G310 helixtrans-63.2-31.9-175.1-65166.5000114.6F345 L413 W577 M582 V583 L589 M590 V593 V595F345-L587 HydrophobicContact CE2-CD1 3.45Å; F345-L587 VanDerWaalsContact CE2-CD1 3.45Å; F345-L587 HydrophobicContact CZ-CB 3.92Å; F345-L587 HydrophobicContact CZ-CD1 3.46Å; F345-L587 VanDerWaalsContact CZ-CD1 3.46Å; F345-L587 HydrophobicContact CZ-CG 4.29Å; L413-L587 HydrophobicContact CD2-CD2 3.95Å; W577-L587 HydrophobicContact CH2-CD1 3.84Å; W577-L587 HydrophobicContact CZ2-CD1 4.22Å; M582-L587 WeakPolarHBondContact O-CB 3.39Å; M582-L587 VanDerWaalsContact O-CG 3.24Å; M582-L587 WeakPolarHBondContact O-CG 3.31Å; M582-L587 PolarHBondContact O-N 3.23Å; V583-L587 HydrophobicContact CG2-CD1 4.46Å; L587-L589 PolarHBondContact O-N 2.9Å; L587-M590 PolarHBondContact O-N 2.78Å; L587-V593 HydrophobicContact CD2-CG1 3.96Å; L587-V593 HydrophobicContact CD2-CG2 4.33Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å
588P89Confident89.5Confident87 Ų8729.2 Ų29.257%0.56516%0.16SC*.G310 helixtrans-60-22.9170.8-26.237.2000113.8V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.34Å; V583-P588 WeakPolarHBondContact O-CG 3.26Å; I586-P588 VanDerWaalsContact C-CD 3.45Å; P588-M590 VanDerWaalsContact C-N 3.32Å
589L89.6Confident89.8Confident21 Ų2128.3 Ų28.311%0.1116%0.156CC..G310 helixtrans-87.52.4176.8-50.1-178.4000113.1P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.85Å; P558-L589 HydrophobicContact CG-CD2 3.88Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.13Å; L563-L589 HydrophobicContact CD1-CD2 4.22Å; L563-L589 HydrophobicContact CD1-CG 4.27Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.21Å; H585-L589 VanDerWaalsContact O-CD1 3.29Å; H585-L589 WeakPolarHBondContact O-CD1 3.4Å; H585-L589 WeakPolarHBondContact O-CG 3.42Å; I586-L589 WeakPolarHBondContact O-CA 3.42Å; I586-L589 VanDerWaalsContact O-CB 3.28Å; I586-L589 WeakPolarHBondContact O-CB 3.11Å; I586-L589 PolarHBondContact O-N 3Å; L587-L589 PolarHBondContact O-N 2.9Å
590M90.3Very high90.1Very high3 Ų327 Ų272%0.01515%0.148CC..  trans-137.869.6-168.4-51.3174.18300111.9V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.29Å; V412-M590 WeakPolarHBondContact O-CE 3.49Å; L413-M590 HydrophobicContact CB-CE 4.28Å; L570-M590 HydrophobicContact CB-CE 4.46Å; L570-M590 HydrophobicContact CB-CG 4.21Å; L570-M590 HydrophobicContact CD2-CG 3.73Å; L570-M590 HydrophobicContact CD2-SD 4.16Å; L570-M590 HydrophobicContact CG-CE 4.37Å; L570-M590 HydrophobicContact CG-CG 4.22Å; L570-M590 HydrophobicContact CG-SD 4.42Å; L570-M590 WeakPolarHBondContact O-CE 3.32Å; V572-M590 HydrophobicContact CB-CE 4.49Å; V572-M590 HydrophobicContact CG2-CE 4Å; V572-M590 HydrophobicContact CG2-SD 4.06Å; I586-M590 HydrophobicContact CG2-SD 3.47Å; I586-M590 WeakPolarHBondContact CG2-SD 3.42Å; I586-M590 WeakPolarHBondContact O-CG 3.47Å; L587-M590 PolarHBondContact O-N 2.78Å; P588-M590 VanDerWaalsContact C-N 3.32Å; M590-D592 VanDerWaalsContact C-N 3.32Å; M590-D592 PolarHBondContact O-N 2.91Å; M590-V593 HydrophobicContact CB-CB 3.78Å; M590-V593 HydrophobicContact CB-CG1 4.49Å; M590-V593 HydrophobicContact CB-CG2 4.2Å; M590-V593 HydrophobicContact CE-CG2 3.77Å; M590-V593 WeakPolarHBondContact O-CB 3.25Å; M590-V593 WeakPolarHBondContact O-CG1 3.41Å; M590-V593 PolarHBondContact O-N 3.23Å; M590-V593 HydrophobicContact SD-CG2 4.2Å
591P80.3Confident90.6Very high55 Ų5524.7 Ų24.736%0.35714%0.136SC..THydrogen-bonded Turntrans-57.9-39.8-174.721.1-32.7000113.9R362R362-P591 WeakPolarHBondContact CD-O 3.35Å; R362-P591 PolarHBondContact NE-O 2.87Å
592D83.3Confident90.8Very high35 Ų3524.9 Ų24.919%0.18714%0.137CC..THydrogen-bonded Turntrans-10436-177.6-60-68.8000113.2H363 H405 M590H363-D592 IonicContact CD2-OD1 3.69Å; H363-D592 IonicContact CE1-OD1 3.77Å; H363-D592 IonicContact NE2-OD1 3.77Å; H363-D592 PolarHBondContact NE2-OD1 3Å; H405-D592 PolarHBondContact CE1-O 3.22Å; H405-D592 PolarHBondContact NE2-O 3.32Å; M590-D592 VanDerWaalsContact C-N 3.32Å; M590-D592 PolarHBondContact O-N 2.91Å
593V91.8Very high90.9Very high5 Ų524.9 Ų24.93%0.0314%0.137CC..PPolyproline II helixtrans-67.4138.8-176.566.90000113.7W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 3.98Å; S411-V593 WeakPolarHBondContact O-CA 3.34Å; L413-V593 HydrophobicContact CB-CG2 4.03Å; L587-V593 HydrophobicContact CD2-CG1 3.96Å; L587-V593 HydrophobicContact CD2-CG2 4.33Å; M590-V593 HydrophobicContact CB-CB 3.78Å; M590-V593 HydrophobicContact CB-CG1 4.49Å; M590-V593 HydrophobicContact CB-CG2 4.2Å; M590-V593 HydrophobicContact CE-CG2 3.77Å; M590-V593 WeakPolarHBondContact O-CB 3.25Å; M590-V593 WeakPolarHBondContact O-CG1 3.41Å; M590-V593 PolarHBondContact O-N 3.23Å; M590-V593 HydrophobicContact SD-CG2 4.2Å; V593-V595 HydrophobicContact CG1-CG2 4.01Å; V593-V595 HydrophobicContact CG2-CG2 3.91Å
594L94.6Very high91.1Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-98.4116.6154.5169.766.7000108.2W360 V365 F401 H405 S411 V412 L413 L596W360-L594 CarbonylContact O-C 3.36Å; W360-L594 WeakPolarHBondContact O-CA 3.28Å; V365-L594 HydrophobicContact CG1-CD2 4.48Å; V365-L594 HydrophobicContact CG2-CD1 4.24Å; V365-L594 HydrophobicContact CG2-CD2 4.38Å; F401-L594 HydrophobicContact CB-CD2 4.08Å; F401-L594 WeakPolarHBondContact O-CD2 3.31Å; H405-L594 HydrophobicContact CB-CD2 3.67Å; H405-L594 WeakPolarHBondContact CD2-CB 3.49Å; H405-L594 VanDerWaalsContact NE2-CB 3.27Å; H405-L594 WeakPolarHBondContact NE2-CB 3.43Å; H405-L594 PolarHBondContact NE2-N 3.14Å; S411-L594 PolarHBondContact O-N 3.05Å; V412-L594 WeakPolarHBondContact CA-O 3.35Å; V412-L594 HydrophobicContact CG2-CB 4.22Å; V412-L594 HydrophobicContact CG2-CD2 4.26Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.41Å; L413-L594 PolarHBondContact N-O 2.79Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.31Å; L594-L596 HydrophobicContact CD2-CD1 4.09Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.4Å; L594-L596 HydrophobicContact CG-CD2 3.88Å; L594-L596 HydrophobicContact CG-CG 3.91Å
595V94.8Very high91.3Very high2 Ų217.1 Ų17.11%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-95.3130.2172.6-171.90000108.4G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.52Å; G359-V595 VanDerWaalsContact CA-O 3.28Å; G359-V595 WeakPolarHBondContact CA-O 3.43Å; W360-V595 HydrophobicContact CE3-CG2 4.19Å; W360-V595 PolarHBondContact N-O 3.48Å; W360-V595 PolarHBondContact O-N 3.08Å; L413-V595 HydrophobicContact CB-CG2 4.46Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.45Å; L413-V595 HydrophobicContact CG-CG1 4.36Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.48Å; W577-V595 HydrophobicContact CH2-CG1 4.37Å; W577-V595 HydrophobicContact CZ3-CG1 3.91Å; L587-V595 HydrophobicContact CD2-CG2 4.04Å; V593-V595 HydrophobicContact CG1-CG2 4.01Å; V593-V595 HydrophobicContact CG2-CG2 3.91Å; V595-F597 HydrophobicContact CG1-CD2 4.19Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.85Å
596L95.7Very high91.3Very high0 Ų015.6 Ų15.60%09%0.09CC..EExtended strand (participates in β ladder)trans-126.8130.4179.4-62.5177.8000110.9V357 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.35Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V398-L596 HydrophobicContact CB-CD1 4.14Å; V398-L596 HydrophobicContact CG1-CB 4.31Å; V398-L596 WeakPolarHBondContact O-CD1 3.45Å; F401-L596 HydrophobicContact CB-CD1 4.07Å; F401-L596 HydrophobicContact CB-CD2 3.8Å; F401-L596 HydrophobicContact CD2-CD2 4.4Å; F401-L596 HydrophobicContact CG-CD2 4.21Å; A402-L596 HydrophobicContact CB-CD1 3.91Å; V412-L596 HydrophobicContact CG2-CD1 4.46Å; L413-L596 PolarHBondContact O-N 3.29Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.32Å; V415-L596 PolarHBondContact N-O 2.87Å; L594-L596 HydrophobicContact CD1-CD2 3.74Å; L594-L596 HydrophobicContact CD1-CG 4.31Å; L594-L596 HydrophobicContact CD2-CD1 4.09Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.4Å; L594-L596 HydrophobicContact CG-CD2 3.88Å; L594-L596 HydrophobicContact CG-CG 3.91Å
597F95.1Very high90.8Very high1 Ų115.8 Ų15.80%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-116.7116.8171.3-58.9-95.4000110V357 L358 V415 W577 V595 E602 A603 Y606V357-F597 VanDerWaalsContact CA-O 3.32Å; V357-F597 WeakPolarHBondContact CA-O 3.44Å; L358-F597 HydrophobicContact CB-CB 4.32Å; L358-F597 HydrophobicContact CD2-CD2 4.24Å; L358-F597 PolarHBondContact N-O 2.92Å; L358-F597 PolarHBondContact O-N 3.46Å; V415-F597 HydrophobicContact CB-CD1 3.99Å; V415-F597 HydrophobicContact CB-CE1 4.21Å; V415-F597 HydrophobicContact CG1-CD1 4.17Å; V415-F597 HydrophobicContact CG1-CE1 4.35Å; V415-F597 WeakPolarHBondContact O-CA 3.22Å; W577-F597 HydrophobicContact CB-CE1 4.18Å; W577-F597 AromaticContact CD2-CE1 3.86Å; W577-F597 HydrophobicContact CD2-CE1 3.86Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.39Å; W577-F597 HydrophobicContact CE3-CE1 3.39Å; W577-F597 AromaticContact CE3-CZ 3.36Å; W577-F597 HydrophobicContact CE3-CZ 3.36Å; W577-F597 HydrophobicContact CG-CE1 4.18Å; W577-F597 HydrophobicContact CH2-CZ 4.19Å; W577-F597 HydrophobicContact CZ3-CE1 4.01Å; W577-F597 HydrophobicContact CZ3-CE2 4.49Å; W577-F597 AromaticContact CZ3-CZ 3.51Å; W577-F597 HydrophobicContact CZ3-CZ 3.51Å; V595-F597 HydrophobicContact CG1-CD2 4.19Å; V595-F597 HydrophobicContact CG1-CE2 3.46Å; V595-F597 VanDerWaalsContact CG1-CE2 3.46Å; V595-F597 HydrophobicContact CG1-CZ 3.85Å; F597-E602 HydrophobicContact CD1-CB 4.28Å; F597-A603 HydrophobicContact CB-CB 3.73Å; F597-A603 HydrophobicContact CD1-CB 4.16Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.85Å; F597-Y606 HydrophobicContact CE1-CG 4.34Å; F597-Y606 AromaticContact CE2-CD1 3.6Å; F597-Y606 HydrophobicContact CE2-CD1 3.6Å; F597-Y606 HydrophobicContact CE2-CD2 4.41Å; F597-Y606 HydrophobicContact CE2-CE1 4.1Å; F597-Y606 AromaticContact CE2-CG 3.77Å; F597-Y606 HydrophobicContact CE2-CG 3.77Å; F597-Y606 VanDerWaalsContact CZ-CB 3.4Å; F597-Y606 AromaticContact CZ-CD1 3.77Å; F597-Y606 HydrophobicContact CZ-CD1 3.77Å; F597-Y606 AromaticContact CZ-CD2 3.97Å; F597-Y606 HydrophobicContact CZ-CD2 3.97Å; F597-Y606 AromaticContact CZ-CG 3.42Å; F597-Y606 HydrophobicContact CZ-CG 3.42Å; F597-Y606 VanDerWaalsContact CZ-CG 3.42Å
598D92.7Very high90.5Very high49 Ų4915.5 Ų15.526%0.2629%0.093SC..SBendtrans-85.7-22.6166.8-164.682000111.4V357 V398 V415 I420V357-D598 HydrophobicContact CG2-CB 4.46Å; V398-D598 HydrophobicContact CG1-CB 3.78Å; V415-D598 PolarHBondContact O-N 3.26Å; I420-D598 HydrophobicContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CD1-CB 3.44Å; I420-D598 VanDerWaalsContact CG2-OD2 3.25Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.46Å
599D93.4Very high90.5Very high5 Ų511.5 Ų11.53%0.0277%0.067CC..  trans-99112.6178.4-163.4-52.5000111N417 L601 E602 A603 K720N417-D599 PolarHBondContact ND2-OD2 3.04Å; N417-D599 PolarHBondContact OD1-OD2 2.95Å; D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.48Å; D599-L601 PolarHBondContact OD1-N 2.83Å; D599-E602 HydrophobicContact CB-CB 4.01Å; D599-E602 HydrophobicContact CB-CG 3.76Å; D599-E602 PolarHBondContact O-N 2.86Å; D599-E602 PolarHBondContact OD1-N 3.24Å; D599-A603 PolarHBondContact O-N 3.42Å; D599-K720 WeakPolarHBondContact OD2-CD 3.47Å; D599-K720 WeakPolarHBondContact OD2-CE 3.48Å; D599-K720 IonicContact OD2-NZ 3.12Å; D599-K720 PolarHBondContact OD2-NZ 3.35Å
600A93.4Very high90.4Very high4 Ų412.8 Ų12.83%0.0337%0.072CC..Hα-helixtrans-70.1-23.3-174.800000114C604 F723 S724 Y727A600-C604 PolarHBondContact O-N 3.37Å; A600-C604 PolarHBondContact O-SG 3.37Å; A600-F723 HydrophobicContact CB-CB 4.07Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; A600-S724 VanDerWaalsContact CB-N 3.35Å; A600-Y727 WeakPolarHBondContact CA-OH 3.45Å; A600-Y727 HydrophobicContact CB-CE1 3.66Å; A600-Y727 WeakPolarHBondContact CB-OH 3.23Å
601L94.4Very high90.5Very high4 Ų412.9 Ų12.92%0.0217%0.072CC..Hα-helixtrans-74.7-42.8174.8175.259.1000110.2D599 A603 C604 V605 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.48Å; D599-L601 PolarHBondContact OD1-N 2.83Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3.49Å; L601-C604 WeakPolarHBondContact O-CB 3.48Å; L601-C604 PolarHBondContact O-N 2.7Å; L601-V605 PolarHBondContact O-N 3.2Å; L601-V605 VanDerWaalsContact O-N 3.14Å; L601-W716 HydrophobicContact CD2-CH2 4.36Å; L601-W716 HydrophobicContact CD2-CZ2 4.1Å; L601-K720 HydrophobicContact CB-CB 4.07Å; L601-K720 HydrophobicContact CB-CD 4.13Å; L601-K720 HydrophobicContact CB-CG 3.93Å; L601-K720 HydrophobicContact CD2-CD 3.96Å; L601-K720 HydrophobicContact CD2-CG 3.79Å; L601-F723 HydrophobicContact CB-CD2 4.14Å; L601-F723 HydrophobicContact CB-CG 4.27Å; L601-F723 HydrophobicContact CD1-CD1 3.82Å; L601-F723 HydrophobicContact CD1-CD2 3.98Å; L601-F723 HydrophobicContact CD1-CE1 3.64Å; L601-F723 HydrophobicContact CD1-CE2 3.82Å; L601-F723 HydrophobicContact CD1-CG 3.99Å; L601-F723 HydrophobicContact CD1-CZ 3.66Å; L601-F759 HydrophobicContact CD1-CE1 4.08Å; L601-F759 HydrophobicContact CD1-CE2 4.13Å; L601-F759 HydrophobicContact CD1-CZ 3.59Å; L601-F759 HydrophobicContact CD2-CD1 4.49Å; L601-F759 HydrophobicContact CD2-CD2 3.72Å; L601-F759 HydrophobicContact CD2-CE1 4.24Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.7Å; L601-F759 HydrophobicContact CG-CD2 4.25Å; L601-F759 HydrophobicContact CG-CE1 4.26Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å
602E93.8Very high91Very high11 Ų1111.3 Ų11.35%0.0516%0.061CC..Hα-helixtrans-61.9-37.7172.6-60.7-64.5144.600111.8V415 I576 W577 F597 D599 C604 V605 Y606 F759 H763V415-E602 HydrophobicContact CG1-CB 4.29Å; I576-E602 VanDerWaalsContact CA-OE2 3.28Å; I576-E602 WeakPolarHBondContact CA-OE2 3.38Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.29Å; W577-E602 PolarHBondContact N-OE2 3.25Å; F597-E602 HydrophobicContact CD1-CB 4.28Å; D599-E602 HydrophobicContact CB-CB 4.01Å; D599-E602 HydrophobicContact CB-CG 3.76Å; D599-E602 PolarHBondContact O-N 2.86Å; D599-E602 PolarHBondContact OD1-N 3.24Å; E602-C604 VanDerWaalsContact C-N 3.26Å; E602-C604 PolarHBondContact O-N 3.48Å; E602-V605 WeakPolarHBondContact O-CB 3.31Å; E602-V605 PolarHBondContact O-N 3.03Å; E602-Y606 PolarHBondContact O-N 3.45Å; E602-Y606 VanDerWaalsContact O-N 3.12Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.24Å; E602-H763 IonicContact OE1-CE1 2.63Å; E602-H763 IonicContact OE1-NE2 2.69Å; E602-H763 PolarHBondContact OE1-NE2 3.44Å; E602-H763 IonicContact OE2-CE1 3.42Å; E602-H763 PolarHBondContact OE2-CE1 2.78Å; E602-H763 IonicContact OE2-NE2 3.15Å; E602-H763 PolarHBondContact OE2-NE2 2.66Å; E602-H763 VanDerWaalsContact OE2-NE2 3.11Å
603A91.9Very high91.5Very high0 Ų010.8 Ų10.80%06%0.059CC..Hα-helixtrans-62.6-30.9172.800000113.1L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.36Å; L358-A603 HydrophobicContact CD2-CB 3.86Å; F597-A603 HydrophobicContact CB-CB 3.73Å; F597-A603 HydrophobicContact CD1-CB 4.16Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.85Å; D599-A603 PolarHBondContact O-N 3.42Å; L601-A603 VanDerWaalsContact C-N 3.29Å; L601-A603 PolarHBondContact O-N 3.49Å; A603-G607 PolarHBondContact O-N 3.01Å; A603-Y727 HydrophobicContact CB-CE1 3.93Å
604C91.2Very high91.5Very high4 Ų412.6 Ų12.63%0.0277%0.065CC..Hα-helixtrans-76.9-30.1176.5-74.60000113A600 L601 E602 G607 G608 V609 F723A600-C604 PolarHBondContact O-N 3.37Å; A600-C604 PolarHBondContact O-SG 3.37Å; L601-C604 WeakPolarHBondContact O-CB 3.48Å; L601-C604 PolarHBondContact O-N 2.7Å; E602-C604 VanDerWaalsContact C-N 3.26Å; E602-C604 PolarHBondContact O-N 3.48Å; C604-G607 CarbonylContact O-C 3.57Å; C604-G607 PolarHBondContact O-N 2.74Å; C604-G608 PolarHBondContact O-N 2.76Å; C604-V609 HydrophobicContact CB-CB 3.92Å; C604-V609 HydrophobicContact CB-CG1 4.45Å; C604-V609 HydrophobicContact CB-CG2 3.97Å; C604-V609 PolarHBondContact O-N 3.37Å; C604-F723 HydrophobicContact CB-CD1 4.07Å
605V90.1Very high91.4Very high2 Ų214 Ų141%0.0127%0.074CC..Hα-helixtrans-63.3-51.5168.2176.70000110.1L340 L601 E602 G607 G608 F759L340-V605 HydrophobicContact CD2-CB 4.19Å; L340-V605 HydrophobicContact CD2-CG1 3.7Å; L340-V605 HydrophobicContact CD2-CG2 4.23Å; L601-V605 PolarHBondContact O-N 3.2Å; L601-V605 VanDerWaalsContact O-N 3.14Å; E602-V605 WeakPolarHBondContact O-CB 3.31Å; E602-V605 PolarHBondContact O-N 3.03Å; V605-G607 PolarHBondContact O-N 3.43Å; V605-G608 PolarHBondContact O-N 3.06Å; V605-G608 VanDerWaalsContact O-N 3.11Å; V605-F759 HydrophobicContact CG2-CE1 4.29Å; V605-F759 HydrophobicContact CG2-CE2 4.27Å; V605-F759 HydrophobicContact CG2-CZ 3.49Å; V605-F759 VanDerWaalsContact CG2-CZ 3.49Å
606Y88Confident91.2Very high25 Ų2513.9 Ų13.910%0.0987%0.073CC..Hα-helixtrans-53.4-37.5172.3165.7-108.9000112.2W577 F597 E602W577-Y606 HydrophobicContact CD2-CD2 4.4Å; W577-Y606 AromaticContact CE2-CD2 3.71Å; W577-Y606 AromaticContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CD2 3.79Å; W577-Y606 HydrophobicContact CH2-CE2 4.16Å; W577-Y606 AromaticContact CZ2-CD2 3.39Å; W577-Y606 HydrophobicContact CZ2-CD2 3.39Å; W577-Y606 HydrophobicContact CZ2-CE2 4.01Å; W577-Y606 HydrophobicContact CZ2-CG 4.35Å; W577-Y606 HydrophobicContact CZ3-CD2 4.48Å; F597-Y606 HydrophobicContact CE1-CG 4.34Å; F597-Y606 AromaticContact CE2-CD1 3.6Å; F597-Y606 HydrophobicContact CE2-CD1 3.6Å; F597-Y606 HydrophobicContact CE2-CD2 4.41Å; F597-Y606 HydrophobicContact CE2-CE1 4.1Å; F597-Y606 AromaticContact CE2-CG 3.77Å; F597-Y606 HydrophobicContact CE2-CG 3.77Å; F597-Y606 VanDerWaalsContact CZ-CB 3.4Å; F597-Y606 AromaticContact CZ-CD1 3.77Å; F597-Y606 HydrophobicContact CZ-CD1 3.77Å; F597-Y606 AromaticContact CZ-CD2 3.97Å; F597-Y606 HydrophobicContact CZ-CD2 3.97Å; F597-Y606 AromaticContact CZ-CG 3.42Å; F597-Y606 HydrophobicContact CZ-CG 3.42Å; F597-Y606 VanDerWaalsContact CZ-CG 3.42Å; E602-Y606 PolarHBondContact O-N 3.45Å; E602-Y606 VanDerWaalsContact O-N 3.12Å
607G83Confident90.7Very high4 Ų416.1 Ų16.14%0.0419%0.091CC..THydrogen-bonded Turntrans-75.8-12.6179.300000117.4A603 C604 V605 V609 V738A603-G607 PolarHBondContact O-N 3.01Å; C604-G607 CarbonylContact O-C 3.57Å; C604-G607 PolarHBondContact O-N 2.74Å; V605-G607 PolarHBondContact O-N 3.43Å; G607-V609 VanDerWaalsContact C-N 3.32Å; G607-V609 PolarHBondContact O-N 2.85Å; G607-V738 WeakPolarHBondContact O-CB 3.44Å; G607-V738 WeakPolarHBondContact O-CG2 3.47Å
608G84.5Confident90.3Very high9 Ų921.1 Ų21.19%0.09312%0.118CC..THydrogen-bonded Turntrans65.530.3-172.800000115L340 C604 V605L340-G608 VanDerWaalsContact O-CA 3.23Å; L340-G608 WeakPolarHBondContact O-CA 3.42Å; C604-G608 PolarHBondContact O-N 2.76Å; V605-G608 PolarHBondContact O-N 3.06Å; V605-G608 VanDerWaalsContact O-N 3.11Å
609V88.1Confident90Very high3 Ų322 Ų222%0.01812%0.121CC..  trans-70.9129.1170.8173.60000108.6L340 C604 G607 F726 V738 G739L340-V609 WeakPolarHBondContact CB-O 3.33Å; L340-V609 WeakPolarHBondContact CD1-O 3.39Å; C604-V609 HydrophobicContact CB-CB 3.92Å; C604-V609 HydrophobicContact CB-CG1 4.45Å; C604-V609 HydrophobicContact CB-CG2 3.97Å; C604-V609 PolarHBondContact O-N 3.37Å; G607-V609 VanDerWaalsContact C-N 3.32Å; G607-V609 PolarHBondContact O-N 2.85Å; V609-F726 HydrophobicContact CG1-CD2 4.02Å; V609-F726 HydrophobicContact CG1-CE1 4.25Å; V609-F726 HydrophobicContact CG1-CE2 3.71Å; V609-F726 HydrophobicContact CG1-CG 4.4Å; V609-F726 HydrophobicContact CG1-CZ 3.83Å; V609-F726 HydrophobicContact CG2-CB 4.33Å; V609-F726 HydrophobicContact CG2-CD1 4.36Å; V609-F726 HydrophobicContact CG2-CD2 4.37Å; V609-F726 HydrophobicContact CG2-CG 4.13Å; V609-V738 HydrophobicContact CG2-CB 4.27Å; V609-V738 HydrophobicContact CG2-CG1 4.32Å; V609-G739 CarbonylContact C-O 3.59Å; V609-G739 WeakPolarHBondContact CA-O 3.38Å
610Q88.9Confident89.7Confident47 Ų4726.3 Ų26.322%0.2215%0.149CC..EExtended strand (participates in β ladder)trans-73.7142.7179.1-68.1177.4-13.600111.4P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.29Å; Q610-G739 PolarHBondContact N-O 3.13Å; Q610-Q740 HydrophobicContact CB-CG 4.27Å; Q610-S741 PolarHBondContact O-N 3.42Å
611L91.5Very high89.4Confident5 Ų529.9 Ų29.93%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-118.8122.3175.5-176.160.1000110L340 F723 S741 V743 L756 F759 Y760L340-L611 HydrophobicContact CD1-CB 4.49Å; L611-F723 HydrophobicContact CD1-CE1 4.4Å; L611-F723 HydrophobicContact CD1-CZ 4.16Å; L611-S741 WeakPolarHBondContact CD1-OG 3.35Å; L611-V743 HydrophobicContact CD1-CG2 3.96Å; L611-L756 HydrophobicContact CD2-CD2 4.49Å; L611-F759 HydrophobicContact CD2-CD1 4.29Å; L611-F759 HydrophobicContact CD2-CE1 4.03Å; L611-Y760 HydrophobicContact CD2-CD2 4.41Å; L611-Y760 HydrophobicContact CD2-CE2 3.57Å; L611-Y760 HydrophobicContact CG-CE2 4.12Å; L611-Y760 PolarHBondContact O-OH 2.78Å
612D90.9Very high89.2Confident23 Ų2329.8 Ų29.812%0.12317%0.165CC..EExtended strand (participates in β ladder)trans-117.8137.2175.3178.819.2000108.6R614 S741 V742 V743D612-R614 IonicContact OD2-CZ 3.93Å; D612-R614 IonicContact OD2-NE 3.8Å; D612-R614 PolarHBondContact OD2-NE 3.09Å; D612-R614 IonicContact OD2-NH2 2.74Å; D612-R614 PolarHBondContact OD2-NH2 3.31Å; D612-S741 PolarHBondContact N-O 2.81Å; D612-V742 HydrophobicContact CB-CB 4.5Å; D612-V742 HydrophobicContact CB-CG1 4.34Å; D612-V742 HydrophobicContact CB-CG2 4.13Å; D612-V742 CarbonylContact O-C 3.36Å; D612-V742 WeakPolarHBondContact O-CA 3.35Å; D612-V743 PolarHBondContact O-N 2.82Å
613V93.1Very high88.9Confident23 Ų2330.2 Ų30.214%0.13917%0.167CC..EExtended strand (participates in β ladder)trans-129.3109.1179.1-176.50000108.1V743 A745 L756 Y760 L771V613-V743 HydrophobicContact CG1-CB 4.44Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.49Å; V613-A745 HydrophobicContact CG1-CB 4.2Å; V613-L756 HydrophobicContact CG1-CD1 4.16Å; V613-L756 HydrophobicContact CG2-CD1 4.15Å; V613-Y760 HydrophobicContact CG2-CE2 4.21Å; V613-L771 HydrophobicContact CB-CD1 4.27Å; V613-L771 HydrophobicContact CG1-CD1 3.98Å; V613-L771 HydrophobicContact CG1-CD2 4.12Å
614R92.6Very high88.6Confident44 Ų4435.2 Ų35.217%0.16619%0.19CC..EExtended strand (participates in β ladder)trans-99.9120.6178.1-55.1-173.2-171.7-167.7-6.4108.3D612 V616 V742 V743 F744 A745D612-R614 IonicContact OD2-CZ 3.93Å; D612-R614 IonicContact OD2-NE 3.8Å; D612-R614 PolarHBondContact OD2-NE 3.09Å; D612-R614 IonicContact OD2-NH2 2.74Å; D612-R614 PolarHBondContact OD2-NH2 3.31Å; R614-V616 HydrophobicContact CB-CG2 4.17Å; R614-V742 HydrophobicContact CG-CG1 4.22Å; R614-V743 PolarHBondContact N-O 3.18Å; R614-F744 HydrophobicContact CB-CD1 4.18Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; R614-A745 PolarHBondContact O-N 3.29Å
615V92.1Very high88.4Confident28 Ų2837.8 Ų37.817%0.1720%0.202CC..EExtended strand (participates in β ladder)trans-83.9125.9172.3-179.30000107.8A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.53Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.38Å; V615-P747 HydrophobicContact CG1-CG 3.76Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; V615-I774 HydrophobicContact CB-CD1 4.3Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.71Å
616V91.3Very high88.3Confident0 Ų037.7 Ų37.70%020%0.201CC..  trans-140.8123-172.4-169.50000107.8R614 E621 K622 A745 K746R614-V616 HydrophobicContact CB-CG2 4.17Å; V616-E621 WeakPolarHBondContact CA-OE2 3.27Å; V616-E621 HydrophobicContact CG1-CB 3.62Å; V616-E621 HydrophobicContact CG1-CG 3.66Å; V616-E621 VanDerWaalsContact CG1-OE2 3.25Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; V616-A745 PolarHBondContact N-O 2.68Å; V616-K746 WeakPolarHBondContact O-CA 3.43Å
617A84.8Confident88.1Confident47 Ų4739.9 Ų39.939%0.38821%0.211SC..  trans-77.7-51.5-17500000111.1E621A617-E621 PolarHBondContact N-OE2 3.43Å
618D86.5Confident88.2Confident106 Ų10641.5 Ų41.557%0.56722%0.224SC*.SBendtrans-115.3155.2-166.5-63.6-55.2000113.3E621 K622D618-E621 WeakPolarHBondContact O-CB 3.38Å; D618-E621 PolarHBondContact O-N 3.04Å; D618-K622 PolarHBondContact O-N 2.74Å; D618-K622 VanDerWaalsContact O-N 3.09Å
619E86.2Confident88.2Confident69 Ų6941.2 Ų41.232%0.32222%0.221SC..Hα-helixtrans-63.9-37.5179.8-65.2-62.913600114E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.64Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 2.99Å; E619-K622 WeakPolarHBondContact OE1-CE 3.13Å; E619-K622 IonicContact OE1-NZ 2.67Å; E619-K622 PolarHBondContact OE1-NZ 2.97Å; E619-K622 IonicContact OE2-NZ 2.72Å; E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 3.41Å; E619-I623 VanDerWaalsContact O-N 3.12Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.3Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.4Å; E619-Y710 PolarHBondContact OE2-OH 3.49Å; E619-K746 WeakPolarHBondContact OE1-CE 3.47Å; E619-K746 IonicContact OE1-NZ 3.47Å; E619-K746 PolarHBondContact OE1-NZ 2.78Å
620P86.8Confident87.7Confident94 Ų9442.6 Ų42.661%0.6123%0.228SC*.Hα-helixtrans-59.7-39.9172.5-24.536000112.8K622 I623 E624P620-K622 PolarHBondContact O-N 3.07Å; P620-I623 PolarHBondContact O-N 3.5Å; P620-I623 VanDerWaalsContact O-N 3.15Å; P620-E624 PolarHBondContact O-N 3.31Å
621E88Confident87.1Confident80 Ų8043 Ų4337%0.37424%0.239SC..Hα-helixtrans-65.2-38177.3-166.7-169.9-156.900111.2V616 A617 D618 E619 I623 E624 H625V616-E621 WeakPolarHBondContact CA-OE2 3.27Å; V616-E621 HydrophobicContact CG1-CB 3.62Å; V616-E621 HydrophobicContact CG1-CG 3.66Å; V616-E621 VanDerWaalsContact CG1-OE2 3.25Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.42Å; A617-E621 PolarHBondContact N-OE2 3.43Å; D618-E621 WeakPolarHBondContact O-CB 3.38Å; D618-E621 PolarHBondContact O-N 3.04Å; E619-E621 VanDerWaalsContact C-N 3.3Å; E619-E621 PolarHBondContact O-N 2.64Å; E621-I623 VanDerWaalsContact C-N 3.31Å; E621-I623 PolarHBondContact O-N 2.92Å; E621-E624 PolarHBondContact O-N 3.45Å; E621-H625 PolarHBondContact O-CD2 2.68Å; E621-H625 PolarHBondContact O-N 2.89Å
622K89.3Confident86.3Confident2 Ų248.1 Ų48.11%0.00926%0.263CS..Hα-helixtrans-60.4-40.3171.6-74.2-172.8179.3178.10111.9V616 D618 E619 P620 L626 Y710 S711 F744V616-K622 HydrophobicContact CB-CG 3.97Å; V616-K622 HydrophobicContact CG1-CB 4.18Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; D618-K622 PolarHBondContact O-N 2.74Å; D618-K622 VanDerWaalsContact O-N 3.09Å; E619-K622 WeakPolarHBondContact O-CB 3.48Å; E619-K622 PolarHBondContact O-N 2.99Å; E619-K622 WeakPolarHBondContact OE1-CE 3.13Å; E619-K622 IonicContact OE1-NZ 2.67Å; E619-K622 PolarHBondContact OE1-NZ 2.97Å; E619-K622 IonicContact OE2-NZ 2.72Å; P620-K622 PolarHBondContact O-N 3.07Å; K622-L626 WeakPolarHBondContact O-CB 3.43Å; K622-L626 PolarHBondContact O-N 3.46Å; K622-Y710 HydrophobicContact CB-CE2 4.11Å; K622-Y710 HydrophobicContact CD-CE1 3.9Å; K622-Y710 HydrophobicContact CD-CE2 4.1Å; K622-Y710 WeakPolarHBondContact CE-O 3.38Å; K622-Y710 PolarHBondContact NZ-O 3.1Å; K622-S711 PolarHBondContact NZ-OG 2.97Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.38Å; K622-F744 HydrophobicContact CD-CB 4.49Å; K622-F744 HydrophobicContact CD-CD2 4.19Å; K622-F744 HydrophobicContact CG-CD2 4.04Å
623I87.7Confident85.3Confident20 Ų2049.9 Ų49.910%0.10327%0.268CS..Hα-helixtrans-67.9-38.1177.7-61.9-61.2000111.1E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 3.41Å; E619-I623 VanDerWaalsContact O-N 3.12Å; P620-I623 PolarHBondContact O-N 3.5Å; P620-I623 VanDerWaalsContact O-N 3.15Å; E621-I623 VanDerWaalsContact C-N 3.31Å; E621-I623 PolarHBondContact O-N 2.92Å; I623-L626 PolarHBondContact O-N 3.48Å; I623-K627 WeakPolarHBondContact O-CG 3.38Å; I623-K627 PolarHBondContact O-N 3Å; I623-L654 HydrophobicContact CD1-CD1 3.45Å; I623-L654 VanDerWaalsContact CD1-CD1 3.45Å; I623-I661 HydrophobicContact CG2-CD1 4.18Å; I623-Y710 HydrophobicContact CD1-CE2 4.45Å
624E86.9Confident83.7Confident104 Ų10456.9 Ų56.949%0.48629%0.291SS..Hα-helixtrans-67.6-43.3173.6-64.6-46.5127.100112.6P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 3.31Å; E621-E624 PolarHBondContact O-N 3.45Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 2.71Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 3.16Å; E624-K627 IonicContact OE1-NZ 3.69Å; E624-K627 PolarHBondContact OE1-NZ 2.96Å; E624-K627 VanDerWaalsContact OE2-CD 3.25Å; E624-K627 WeakPolarHBondContact OE2-CD 3.29Å; E624-K627 IonicContact OE2-NZ 3.97Å; E624-K627 PolarHBondContact OE2-NZ 3.29Å; E624-A628 PolarHBondContact O-N 2.9Å
625H87.3Confident81.6Confident58 Ų5861.5 Ų61.527%0.26932%0.32SS..Hα-helixtrans-61.3-36.3172.7-82.3-57.4000112.8E621 L629 F744E621-H625 PolarHBondContact O-CD2 2.68Å; E621-H625 PolarHBondContact O-N 2.89Å; H625-L629 VanDerWaalsContact O-CB 3.22Å; H625-L629 WeakPolarHBondContact O-CB 3.25Å; H625-L629 PolarHBondContact O-N 3.16Å; H625-F744 HydrophobicContact CB-CE1 4.4Å; H625-F744 HydrophobicContact CB-CZ 4.17Å
626L87.8Confident79.8Confident0 Ų065.8 Ų65.80%034%0.336CS..Hα-helixtrans-68.1-42.1174.7178.356.9000111.9K622 I623 E624 L629 I630 M643 L654 L658 I708 F744K622-L626 WeakPolarHBondContact O-CB 3.43Å; K622-L626 PolarHBondContact O-N 3.46Å; I623-L626 PolarHBondContact O-N 3.48Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 2.71Å; L626-L629 PolarHBondContact O-N 3.23Å; L626-I630 HydrophobicContact CD1-CD1 3.72Å; L626-I630 HydrophobicContact CD1-CG1 4.07Å; L626-I630 HydrophobicContact CG-CD1 3.87Å; L626-I630 WeakPolarHBondContact O-CB 3.47Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.42Å; L626-I630 PolarHBondContact O-N 2.81Å; L626-M643 HydrophobicContact CD1-CE 3.33Å; L626-M643 HydrophobicContact CD2-CE 3.62Å; L626-M643 HydrophobicContact CG-CE 4.12Å; L626-L654 HydrophobicContact CD2-CD1 4.37Å; L626-L658 HydrophobicContact CD2-CD2 3.68Å; L626-L658 HydrophobicContact CD2-CG 4.5Å; L626-L658 HydrophobicContact CG-CD2 4.39Å; L626-I708 HydrophobicContact CD1-CD1 3.82Å; L626-F744 HydrophobicContact CB-CE2 4.26Å; L626-F744 HydrophobicContact CB-CZ 4.34Å
627K83.2Confident77.9Confident71 Ų7169.5 Ų69.531%0.30937%0.367SS..Hα-helixtrans-58.2-49.1172-77.9166.3176.3176.60111.4I623 E624 I630 A631 I661I623-K627 WeakPolarHBondContact O-CG 3.38Å; I623-K627 PolarHBondContact O-N 3Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 3.16Å; E624-K627 IonicContact OE1-NZ 3.69Å; E624-K627 PolarHBondContact OE1-NZ 2.96Å; E624-K627 VanDerWaalsContact OE2-CD 3.25Å; E624-K627 WeakPolarHBondContact OE2-CD 3.29Å; E624-K627 IonicContact OE2-NZ 3.97Å; E624-K627 PolarHBondContact OE2-NZ 3.29Å; K627-I630 PolarHBondContact O-N 3.3Å; K627-A631 VanDerWaalsContact O-CB 3.24Å; K627-A631 WeakPolarHBondContact O-CB 3.47Å; K627-A631 PolarHBondContact O-N 3.23Å; K627-I661 HydrophobicContact CD-CD1 4.25Å; K627-I661 HydrophobicContact CG-CD1 3.63Å
628A84.9Confident76.8Confident39 Ų3972.4 Ų72.432%0.32238%0.376SS..Hα-helixtrans-59.1-48.7178.700000111.2E624 I630 A631 E632E624-A628 PolarHBondContact O-N 2.9Å; A628-I630 PolarHBondContact O-N 2.93Å; A628-A631 PolarHBondContact O-N 2.75Å; A628-A631 VanDerWaalsContact O-N 3.12Å; A628-E632 WeakPolarHBondContact O-CB 3.36Å; A628-E632 VanDerWaalsContact O-CG 3.3Å; A628-E632 WeakPolarHBondContact O-CG 3.32Å; A628-E632 PolarHBondContact O-N 2.67Å
629L84.2Confident76.1Confident3 Ų370.4 Ų70.42%0.01636%0.363CS..Hα-helixtrans-62.1-41.5178.9-173.3160.2000112.5H625 L626 R633 L706 I708 V742H625-L629 VanDerWaalsContact O-CB 3.22Å; H625-L629 WeakPolarHBondContact O-CB 3.25Å; H625-L629 PolarHBondContact O-N 3.16Å; L626-L629 PolarHBondContact O-N 3.23Å; L629-R633 WeakPolarHBondContact O-CB 3.37Å; L629-R633 VanDerWaalsContact O-CG 3.29Å; L629-R633 WeakPolarHBondContact O-CG 3.29Å; L629-R633 PolarHBondContact O-N 2.9Å; L629-L706 HydrophobicContact CD2-CD1 4.32Å; L629-L706 HydrophobicContact CD2-CD2 3.55Å; L629-I708 HydrophobicContact CD2-CD1 3.84Å; L629-I708 HydrophobicContact CD2-CG1 4.46Å; L629-V742 HydrophobicContact CD1-CB 4.01Å; L629-V742 HydrophobicContact CD1-CG1 3.81Å; L629-V742 HydrophobicContact CD1-CG2 3.86Å
630I77.9Confident75.9Confident32 Ų3268.1 Ų68.116%0.16435%0.354CS..Hα-helixtrans-66.3-40.5173.6-69.3168000110.6L626 K627 A628 R633 R634 V663L626-I630 HydrophobicContact CD1-CD1 3.72Å; L626-I630 HydrophobicContact CD1-CG1 4.07Å; L626-I630 HydrophobicContact CG-CD1 3.87Å; L626-I630 WeakPolarHBondContact O-CB 3.47Å; L626-I630 VanDerWaalsContact O-CG1 3.25Å; L626-I630 WeakPolarHBondContact O-CG1 3.42Å; L626-I630 PolarHBondContact O-N 2.81Å; K627-I630 PolarHBondContact O-N 3.3Å; A628-I630 PolarHBondContact O-N 2.93Å; I630-R633 CarbonylContact O-C 3.53Å; I630-R633 PolarHBondContact O-N 2.86Å; I630-R634 WeakPolarHBondContact O-CG 3.49Å; I630-R634 PolarHBondContact O-N 3.15Å; I630-V663 HydrophobicContact CD1-CG1 4.14Å; I630-V663 HydrophobicContact CD1-CG2 4.28Å
631A76.9Confident75.9Confident54 Ų5464.3 Ų64.345%0.44633%0.33SS..Hα-helixtrans-68.8-44.3-179.100000112.6K627 A628 R633 R634K627-A631 VanDerWaalsContact O-CB 3.24Å; K627-A631 WeakPolarHBondContact O-CB 3.47Å; K627-A631 PolarHBondContact O-N 3.23Å; A628-A631 PolarHBondContact O-N 2.75Å; A628-A631 VanDerWaalsContact O-N 3.12Å; A631-R633 PolarHBondContact O-N 3.39Å; A631-R634 PolarHBondContact O-N 3.46Å
632E74.7Confident76.2Confident114 Ų11460.5 Ų60.553%0.53331%0.313SS..Hα-helixtrans-53.9-41.6170.2-73.5166.6-178.900111A628A628-E632 WeakPolarHBondContact O-CB 3.36Å; A628-E632 VanDerWaalsContact O-CG 3.3Å; A628-E632 WeakPolarHBondContact O-CG 3.32Å; A628-E632 PolarHBondContact O-N 2.67Å
633R69.1Low76.4Confident60 Ų6060.4 Ų60.423%0.22631%0.312CS..Hα-helixtrans-80-17.2179.6-72.9-76-177.3164.3-3.8115L629 I630 A631 N635 F636 E639 L706L629-R633 WeakPolarHBondContact O-CB 3.37Å; L629-R633 VanDerWaalsContact O-CG 3.29Å; L629-R633 WeakPolarHBondContact O-CG 3.29Å; L629-R633 PolarHBondContact O-N 2.9Å; I630-R633 CarbonylContact O-C 3.53Å; I630-R633 PolarHBondContact O-N 2.86Å; A631-R633 PolarHBondContact O-N 3.39Å; R633-N635 PolarHBondContact O-N 3.47Å; R633-N635 VanDerWaalsContact O-N 3.09Å; R633-F636 PolarHBondContact O-N 3.35Å; R633-E639 IonicContact CZ-OE2 2.68Å; R633-E639 IonicContact NH1-OE1 3.47Å; R633-E639 IonicContact NH1-OE2 3.02Å; R633-E639 PolarHBondContact NH1-OE2 3.41Å; R633-L706 HydrophobicContact CG-CD2 4.41Å
634R59.2Low76.8Confident169 Ų16959.4 Ų59.464%0.63831%0.307SS*.THydrogen-bonded Turntrans-61.6-18.3177.2-86.3176.2-178.9-173.40.2113.6I630 A631 F636I630-R634 WeakPolarHBondContact O-CG 3.49Å; I630-R634 PolarHBondContact O-N 3.15Å; A631-R634 PolarHBondContact O-N 3.46Å; R634-F636 PolarHBondContact O-N 3.33Å
635N50.1Low77.2Confident142 Ų14254.5 Ų54.576%0.75928%0.284SS*.THydrogen-bonded Turntrans-69.4-16.2170.8-65.2-31.9000113.3R633R633-N635 PolarHBondContact O-N 3.47Å; R633-N635 VanDerWaalsContact O-N 3.09Å
636F52.4Low77.3Confident117 Ų11753.8 Ų53.851%0.51329%0.286SS..SBendtrans-10780.8176.7-56.2-87.2000109.7R633 R634 N638 E639R633-F636 PolarHBondContact O-N 3.35Å; R634-F636 PolarHBondContact O-N 3.33Å; F636-N638 PolarHBondContact O-N 2.84Å; F636-E639 HydrophobicContact CB-CG 4.03Å
637A51.8Low77.4Confident79 Ų7957.2 Ų57.265%0.65330%0.304SS*.THydrogen-bonded Turntrans-59.2134.6177.700000111.4
638N61.7Low77.8Confident107 Ų10756.6 Ų56.657%0.57231%0.309SS*.THydrogen-bonded Turntrans7823.3178.5-45.6-50.1000117.5F636 P640 P685F636-N638 PolarHBondContact O-N 2.84Å; N638-P640 WeakPolarHBondContact O-CD 3.44Å; N638-P685 CarbonylContact C-O 3.39Å; N638-P685 HydrophobicContact CB-CB 4.29Å
639E73.2Confident78.2Confident65 Ų6559 Ų5930%0.30432%0.319SS..  trans-90.8116.5170.8-75.6-161.5167.300113.1R633 F636 P685 P705R633-E639 IonicContact CZ-OE2 2.68Å; R633-E639 IonicContact NH1-OE1 3.47Å; R633-E639 IonicContact NH1-OE2 3.02Å; R633-E639 PolarHBondContact NH1-OE2 3.41Å; F636-E639 HydrophobicContact CB-CG 4.03Å; E639-P685 CarbonylContact C-O 3.24Å; E639-P685 VanDerWaalsContact C-O 3.24Å; E639-P705 HydrophobicContact CB-CG 3.6Å; E639-P705 HydrophobicContact CG-CB 4.37Å; E639-P705 HydrophobicContact CG-CG 3.82Å
640P81.3Confident78.6Confident21 Ų2160.2 Ų60.214%0.13633%0.325CS..  trans-79.5136.4178.828.3-32.5000112N638 W680 P685 P705N638-P640 WeakPolarHBondContact O-CD 3.44Å; P640-W680 HydrophobicContact CB-CH2 3.93Å; P640-W680 HydrophobicContact CB-CZ2 3.54Å; P640-P685 WeakPolarHBondContact CA-O 3.46Å; P640-P685 WeakPolarHBondContact CD-O 3.45Å; P640-P685 VanDerWaalsContact N-O 3.08Å; P640-P705 VanDerWaalsContact O-CD 3.26Å; P640-P705 WeakPolarHBondContact O-CD 3.49Å
641A87.6Confident79.4Confident13 Ų1358.7 Ų58.711%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-116.3137.8178.600000111.7W680 G687 L688 L689 L706A641-W680 WeakPolarHBondContact O-CZ2 3.27Å; A641-G687 PolarHBondContact N-O 3.5Å; A641-L688 HydrophobicContact CB-CD1 3.72Å; A641-L689 PolarHBondContact O-N 3.31Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 3.85Å; A641-L706 HydrophobicContact CB-CG 4.17Å
642V92.5Very high80.1Confident0 Ų060.6 Ų60.60%032%0.32CS..EExtended strand (participates in β ladder)trans-111.2135.8171.6-1770000109.3W680 L689 V691 C701 I704 L706 L707 I708 L725V642-W680 HydrophobicContact CG2-CH2 3.65Å; V642-W680 HydrophobicContact CG2-CZ2 4.27Å; V642-W680 HydrophobicContact CG2-CZ3 4.43Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.37Å; V642-V691 HydrophobicContact CG1-CG2 3.88Å; V642-C701 HydrophobicContact CG2-CB 4.33Å; V642-I704 HydrophobicContact CB-CD1 4.34Å; V642-I704 HydrophobicContact CG2-CD1 4.22Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; V642-L706 PolarHBondContact N-O 3.46Å; V642-L706 VanDerWaalsContact N-O 3.08Å; V642-L707 HydrophobicContact CB-CD1 4.2Å; V642-L707 HydrophobicContact CG1-CD1 4.29Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V642-I708 PolarHBondContact O-N 3.27Å; V642-L725 HydrophobicContact CB-CD1 4.49Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å
643M94.1Very high80.9Confident0 Ų059.9 Ų59.90%032%0.319CS..EExtended strand (participates in β ladder)trans-123.6126.5176.2179-176.8-68.600110.4L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.33Å; L626-M643 HydrophobicContact CD2-CE 3.62Å; L626-M643 HydrophobicContact CG-CE 4.12Å; M643-L654 HydrophobicContact SD-CD2 3.38Å; M643-L654 WeakPolarHBondContact SD-CD2 3.49Å; M643-L654 HydrophobicContact SD-CG 4.43Å; M643-L688 HydrophobicContact CB-CD1 4.02Å; M643-L688 HydrophobicContact CE-CD1 4.31Å; M643-L688 HydrophobicContact CE-CD2 3.86Å; M643-L688 HydrophobicContact SD-CD2 4.38Å; M643-L689 PolarHBondContact N-O 3.4Å; M643-L690 HydrophobicContact CB-CD2 3.95Å; M643-L690 HydrophobicContact CG-CD2 4.2Å; M643-L690 HydrophobicContact SD-CD2 3.62Å; M643-V691 PolarHBondContact O-N 2.62Å; M643-I708 CarbonylContact C-O 3.59Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.24Å; M643-I708 HydrophobicContact CB-CB 4.18Å; M643-I708 HydrophobicContact CE-CB 4.12Å; M643-I708 HydrophobicContact CE-CD1 3.69Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.08Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; M643-Y710 HydrophobicContact CE-CD2 4.5Å; M643-Y710 HydrophobicContact SD-CD2 3.95Å; M643-Y710 HydrophobicContact SD-CG 4.29Å
644V96.3Very high82Confident0 Ų057.3 Ų57.30%031%0.31CS..EExtended strand (participates in β ladder)trans-104.8118.8-178.9-164.70000110.2V691 V696 L707 I708 Y710 R722 L725V644-V691 WeakPolarHBondContact CA-O 3.2Å; V644-V691 HydrophobicContact CB-CG2 4.26Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; V644-V696 HydrophobicContact CG1-CG2 4.35Å; V644-L707 HydrophobicContact CG2-CD1 3.82Å; V644-I708 PolarHBondContact N-O 3.03Å; V644-Y710 PolarHBondContact O-N 3.08Å; V644-Y710 VanDerWaalsContact O-N 3.13Å; V644-R722 HydrophobicContact CB-CG 4.41Å; V644-R722 HydrophobicContact CG1-CG 4.11Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.46Å; V644-R722 HydrophobicContact CG2-CG 4.24Å; V644-R722 PolarHBondContact O-NH1 3.06Å; V644-L725 HydrophobicContact CG2-CD1 4.48Å
645C94.5Very high83.5Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-97.3160.9171.5-63.60000110.5E650 V651 V691C645-E650 WeakPolarHBondContact CA-OE2 3.46Å; C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 4.05Å; C645-E650 VanDerWaalsContact CB-OE2 3.27Å; C645-E650 WeakPolarHBondContact CB-OE2 3.37Å; C645-V651 HydrophobicContact CB-CG2 3.51Å; C645-V691 PolarHBondContact N-O 3.4Å
646S89.4Confident85.4Confident44 Ų4455 Ų5531%0.30829%0.29SS..SBendtrans-71-34.5178.661.90000113.3E650S646-E650 WeakPolarHBondContact CB-OE2 3.02Å; S646-E650 PolarHBondContact N-OE2 2.66Å; S646-E650 PolarHBondContact OG-OE2 2.69Å
647N90.3Very high87.1Confident71 Ų7151.9 Ų51.938%0.3828%0.283SS..SBendtrans-153.9169.3-176.664.769.1000112.6T649 E650 V651N647-T649 PolarHBondContact O-N 2.73Å; N647-T649 WeakPolarHBondContact OD1-CA 3.41Å; N647-T649 VanDerWaalsContact OD1-CB 3.31Å; N647-T649 WeakPolarHBondContact OD1-CB 3.5Å; N647-T649 PolarHBondContact OD1-N 3.48Å; N647-E650 PolarHBondContact O-N 3.21Å; N647-E650 PolarHBondContact OD1-N 3.39Å; N647-V651 PolarHBondContact O-N 2.87Å
648S92.3Very high88.8Confident59 Ų5948.1 Ų48.141%0.41325%0.252SS..Hα-helixtrans-68.5-30.1-176.951.30000114V651 L652S648-V651 PolarHBondContact O-N 3.43Å; S648-L652 WeakPolarHBondContact O-CG 3.05Å; S648-L652 PolarHBondContact O-N 2.86Å; S648-L652 VanDerWaalsContact O-N 3.1Å
649T92.9Very high90Very high88 Ų8847.4 Ų47.454%0.5425%0.245SC..Hα-helixtrans-65-45.1176-53.10000111N647 V651 L652 L653N647-T649 PolarHBondContact O-N 2.73Å; N647-T649 WeakPolarHBondContact OD1-CA 3.41Å; N647-T649 VanDerWaalsContact OD1-CB 3.31Å; N647-T649 WeakPolarHBondContact OD1-CB 3.5Å; N647-T649 PolarHBondContact OD1-N 3.48Å; T649-V651 VanDerWaalsContact C-N 3.33Å; T649-V651 PolarHBondContact O-N 2.88Å; T649-L652 PolarHBondContact O-N 3.1Å; T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.09Å; T649-L653 PolarHBondContact O-N 3.01Å
650E92.9Very high90.6Very high29 Ų2948.5 Ų48.514%0.13627%0.265CS..Hα-helixtrans-58.7-43.7174.4-176175.2-130.400111.4C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 WeakPolarHBondContact CA-OE2 3.46Å; C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 4.05Å; C645-E650 VanDerWaalsContact CB-OE2 3.27Å; C645-E650 WeakPolarHBondContact CB-OE2 3.37Å; S646-E650 WeakPolarHBondContact CB-OE2 3.02Å; S646-E650 PolarHBondContact N-OE2 2.66Å; S646-E650 PolarHBondContact OG-OE2 2.69Å; N647-E650 PolarHBondContact O-N 3.21Å; N647-E650 PolarHBondContact OD1-N 3.39Å; E650-L652 VanDerWaalsContact C-N 3.34Å; E650-L652 PolarHBondContact O-N 3.4Å; E650-L653 PolarHBondContact O-N 3.06Å; E650-L654 WeakPolarHBondContact O-CB 3.25Å; E650-L654 PolarHBondContact O-N 2.83Å; E650-Y710 HydrophobicContact CG-CD1 4.29Å; E650-Y710 HydrophobicContact CG-CE1 4.45Å; E650-S711 VanDerWaalsContact OE1-CB 3.28Å; E650-S711 WeakPolarHBondContact OE1-CB 3.32Å; E650-S711 PolarHBondContact OE1-OG 2.68Å
651V94.1Very high90.6Very high0 Ų050.1 Ų50.10%027%0.272CS..Hα-helixtrans-58.3-42.4175.1172.10000112.4C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.51Å; N647-V651 PolarHBondContact O-N 2.87Å; S648-V651 PolarHBondContact O-N 3.43Å; T649-V651 VanDerWaalsContact C-N 3.33Å; T649-V651 PolarHBondContact O-N 2.88Å; V651-R655 WeakPolarHBondContact O-CB 3.35Å; V651-R655 PolarHBondContact O-N 3.44Å; V651-I667 HydrophobicContact CG1-CB 4.41Å; V651-I667 HydrophobicContact CG1-CD1 3.7Å; V651-I667 HydrophobicContact CG1-CG1 3.74Å; V651-I667 HydrophobicContact CG1-CG2 3.89Å; V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.92Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-T692 HydrophobicContact CG2-CG2 4.04Å
652L92.2Very high90.2Very high95 Ų9552.2 Ų52.250%0.49730%0.296SS..Hα-helixtrans-70.5-41.3-179.5-70.3172.9000112.6S648 T649 E650 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.05Å; S648-L652 PolarHBondContact O-N 2.86Å; S648-L652 VanDerWaalsContact O-N 3.1Å; T649-L652 PolarHBondContact O-N 3.1Å; E650-L652 VanDerWaalsContact C-N 3.34Å; E650-L652 PolarHBondContact O-N 3.4Å; L652-R656 WeakPolarHBondContact O-CG 3.08Å; L652-R656 PolarHBondContact O-N 2.91Å; L652-I667 HydrophobicContact CD2-CD1 4.12Å
653L91.8Very high89.6Confident98 Ų9853.1 Ų53.151%0.51330%0.301SS..Hα-helixtrans-64.5-47175.4-68.6173.6000110.8T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.29Å; T649-L653 WeakPolarHBondContact O-CG 3.09Å; T649-L653 PolarHBondContact O-N 3.01Å; E650-L653 PolarHBondContact O-N 3.06Å; L653-R655 PolarHBondContact O-N 3.12Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 3.07Å; L653-R656 VanDerWaalsContact O-N 3.15Å; L653-S657 PolarHBondContact O-N 3.17Å; L653-S657 VanDerWaalsContact O-N 3.08Å; L653-S657 PolarHBondContact O-OG 2.92Å
654L91.4Very high88.9Confident6 Ų659 Ų593%0.03133%0.332CS..Hα-helixtrans-64.4-37.9179.9-174.753000112.3I623 L626 M643 E650 R656 S657 L658 L690 Y710I623-L654 HydrophobicContact CD1-CD1 3.45Å; I623-L654 VanDerWaalsContact CD1-CD1 3.45Å; L626-L654 HydrophobicContact CD2-CD1 4.37Å; M643-L654 HydrophobicContact SD-CD2 3.38Å; M643-L654 WeakPolarHBondContact SD-CD2 3.49Å; M643-L654 HydrophobicContact SD-CG 4.43Å; E650-L654 WeakPolarHBondContact O-CB 3.25Å; E650-L654 PolarHBondContact O-N 2.83Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.18Å; L654-S657 PolarHBondContact O-N 3.33Å; L654-L658 HydrophobicContact CD1-CD1 4.23Å; L654-L658 HydrophobicContact CD1-CG 4.22Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CB 3.33Å; L654-L658 VanDerWaalsContact O-CG 3.28Å; L654-L658 WeakPolarHBondContact O-CG 3.4Å; L654-L658 PolarHBondContact O-N 3.23Å; L654-L690 HydrophobicContact CD2-CD2 4.43Å; L654-Y710 HydrophobicContact CD1-CD2 4.36Å; L654-Y710 HydrophobicContact CD1-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CD1 4.02Å; L654-Y710 HydrophobicContact CD2-CD2 3.55Å; L654-Y710 HydrophobicContact CD2-CE1 4.2Å; L654-Y710 HydrophobicContact CD2-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CG 3.71Å; L654-Y710 HydrophobicContact CG-CE2 4.4Å
655R90.6Very high88.4Confident92 Ų9259.3 Ų59.335%0.34734%0.335SS..Hα-helixtrans-58.7-42.5172.4177.3169.9176.8172.55.2112.3V651 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.35Å; V651-R655 PolarHBondContact O-N 3.44Å; L653-R655 PolarHBondContact O-N 3.12Å; R655-L658 PolarHBondContact O-N 3.46Å; R655-Q659 HydrophobicContact CG-CG 4.3Å; R655-Q659 WeakPolarHBondContact O-CB 3.4Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.49Å; R655-Q659 PolarHBondContact O-N 3.46Å; R655-I667 HydrophobicContact CB-CD1 4.08Å; R655-I667 HydrophobicContact CG-CD1 4.3Å; R655-L690 HydrophobicContact CB-CD1 3.94Å
656R90.5Very high88.2Confident171 Ų17160.7 Ų60.765%0.64534%0.341SS*.Hα-helixtrans-63.5-45.6177.4-67.5173.5-175.9174.41.5110.9L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.08Å; L652-R656 PolarHBondContact O-N 2.91Å; L653-R656 WeakPolarHBondContact O-CB 3.34Å; L653-R656 PolarHBondContact O-N 3.07Å; L653-R656 VanDerWaalsContact O-N 3.15Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.18Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.23Å; R656-Q659 PolarHBondContact O-N 2.9Å; R656-A660 PolarHBondContact O-N 2.84Å
657S88.4Confident88.3Confident52 Ų5259.3 Ų59.336%0.36433%0.33SS..Hα-helixtrans-60.3-41.5176.4-55.60000112.2L653 L654 A660 I661L653-S657 PolarHBondContact O-N 3.17Å; L653-S657 VanDerWaalsContact O-N 3.08Å; L653-S657 PolarHBondContact O-OG 2.92Å; L654-S657 PolarHBondContact O-N 3.33Å; S657-A660 PolarHBondContact O-N 3.32Å; S657-I661 PolarHBondContact O-N 2.98Å
658L86.4Confident88.4Confident0 Ų055.9 Ų55.90%031%0.312CS..Hα-helixtrans-67.3-42176.7-74.9167000112.7L626 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.68Å; L626-L658 HydrophobicContact CD2-CG 4.5Å; L626-L658 HydrophobicContact CG-CD2 4.39Å; L654-L658 HydrophobicContact CD1-CD1 4.23Å; L654-L658 HydrophobicContact CD1-CG 4.22Å; L654-L658 HydrophobicContact CG-CD1 3.94Å; L654-L658 HydrophobicContact CG-CG 4.43Å; L654-L658 WeakPolarHBondContact O-CB 3.33Å; L654-L658 VanDerWaalsContact O-CG 3.28Å; L654-L658 WeakPolarHBondContact O-CG 3.4Å; L654-L658 PolarHBondContact O-N 3.23Å; R655-L658 PolarHBondContact O-N 3.46Å; R656-L658 VanDerWaalsContact C-N 3.33Å; R656-L658 PolarHBondContact O-N 3.23Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.49Å; L658-I661 HydrophobicContact CD2-CD1 4.13Å; L658-I661 CarbonylContact O-C 3.3Å; L658-I661 WeakPolarHBondContact O-CG1 3.35Å; L658-I661 PolarHBondContact O-N 3.01Å; L658-G662 PolarHBondContact O-N 2.89Å; L658-V663 CarbonylContact C-O 3.52Å; L658-V663 HydrophobicContact CB-CB 4.19Å; L658-V663 HydrophobicContact CB-CG1 4.43Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.9Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 PolarHBondContact O-N 3.13Å; L658-A665 HydrophobicContact CD1-CB 4.13Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; L658-L690 HydrophobicContact CD1-CD1 4.2Å; L658-L690 HydrophobicContact CD1-CD2 4.07Å
659Q87Confident88.3Confident91 Ų9155.1 Ų55.143%0.42531%0.305SS..Hα-helixtrans-63.1-40.1175.8-75.5175.4-43.200111.8R655 R656 I661 G662R655-Q659 HydrophobicContact CG-CG 4.3Å; R655-Q659 WeakPolarHBondContact O-CB 3.4Å; R655-Q659 VanDerWaalsContact O-CG 3.26Å; R655-Q659 WeakPolarHBondContact O-CG 3.49Å; R655-Q659 PolarHBondContact O-N 3.46Å; R656-Q659 PolarHBondContact O-N 2.9Å; Q659-I661 PolarHBondContact O-N 2.95Å; Q659-G662 PolarHBondContact O-N 2.95Å; Q659-G662 VanDerWaalsContact O-N 3.08Å
660A86.6Confident88.1Confident88 Ų8853.4 Ų53.473%0.72730%0.296SS*.Hα-helixtrans-62-23.6176.400000113.5R656 S657 L658R656-A660 PolarHBondContact O-N 2.84Å; S657-A660 PolarHBondContact O-N 3.32Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.49Å
661I80.3Confident87.7Confident55 Ų5556.7 Ų56.728%0.28231%0.311SS..THydrogen-bonded Turntrans-104.215.2177.266.8169.8000113I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.18Å; K627-I661 HydrophobicContact CD-CD1 4.25Å; K627-I661 HydrophobicContact CG-CD1 3.63Å; S657-I661 PolarHBondContact O-N 2.98Å; L658-I661 HydrophobicContact CD2-CD1 4.13Å; L658-I661 CarbonylContact O-C 3.3Å; L658-I661 WeakPolarHBondContact O-CG1 3.35Å; L658-I661 PolarHBondContact O-N 3.01Å; Q659-I661 PolarHBondContact O-N 2.95Å; I661-V663 HydrophobicContact CD1-CG2 4.26Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.13Å; I661-V663 PolarHBondContact O-N 2.92Å
662G79.6Confident87.2Confident58 Ų5860.9 Ų60.960%0.59835%0.347SS*.THydrogen-bonded Turntrans73.822175.800000115.1L658 Q659L658-G662 PolarHBondContact O-N 2.89Å; Q659-G662 PolarHBondContact O-N 2.95Å; Q659-G662 VanDerWaalsContact O-N 3.08Å
663V80.2Confident86.9Confident18 Ų1857.6 Ų57.611%0.10933%0.331CS..  trans-103.3112175.6177.30000109.8I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.14Å; I630-V663 HydrophobicContact CD1-CG2 4.28Å; L658-V663 CarbonylContact C-O 3.52Å; L658-V663 HydrophobicContact CB-CB 4.19Å; L658-V663 HydrophobicContact CB-CG1 4.43Å; L658-V663 HydrophobicContact CD2-CB 3.97Å; L658-V663 HydrophobicContact CD2-CG1 3.9Å; L658-V663 HydrophobicContact CD2-CG2 4.46Å; L658-V663 PolarHBondContact O-N 3.13Å; I661-V663 HydrophobicContact CD1-CG2 4.26Å; I661-V663 HydrophobicContact CG1-CB 4.47Å; I661-V663 HydrophobicContact CG1-CG2 4.13Å; I661-V663 PolarHBondContact O-N 2.92Å
664N79.7Confident86.6Confident123 Ų12356 Ų5666%0.65832%0.319SS*.  trans-76.9126.7173-75.4-30.2000110.6
665A86.3Confident86.3Confident7 Ų759.5 Ų59.56%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-130.9130.2179.300000111.4L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.13Å; A665-L688 CarbonylContact C-O 3.5Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.4Å; A665-L688 HydrophobicContact CB-CB 4.17Å; A665-L688 HydrophobicContact CB-CD2 4.35Å; A665-L690 HydrophobicContact CB-CD1 4.05Å; A665-L690 HydrophobicContact CB-CD2 4.5Å; A665-L690 HydrophobicContact CB-CG 3.99Å
666H89.3Confident86Confident30 Ų3057.4 Ų57.414%0.13934%0.339CS..EExtended strand (participates in β ladder)trans-82157.6171.4-67.8-106.8000109.8W680 S684 L688 L689 L690H666-W680 HydrophobicContact CB-CB 4Å; H666-W680 HydrophobicContact CB-CG 4.35Å; H666-W680 AromaticContact CD2-CD1 3.73Å; H666-S684 PolarHBondContact NE2-OG 3.08Å; H666-L688 PolarHBondContact N-O 3.32Å; H666-L689 HydrophobicContact CB-CD1 3.89Å; H666-L690 PolarHBondContact O-N 3.43Å
667I92Very high85.8Confident14 Ų1449.7 Ų49.77%0.07231%0.311CS..EExtended strand (participates in β ladder)trans-123.3136.3-178.9-71.3-178.1000110.5V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.41Å; V651-I667 HydrophobicContact CG1-CD1 3.7Å; V651-I667 HydrophobicContact CG1-CG1 3.74Å; V651-I667 HydrophobicContact CG1-CG2 3.89Å; L652-I667 HydrophobicContact CD2-CD1 4.12Å; R655-I667 HydrophobicContact CB-CD1 4.08Å; R655-I667 HydrophobicContact CG-CD1 4.3Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.26Å; I667-N676 WeakPolarHBondContact O-CB 3.26Å; I667-N676 PolarHBondContact O-ND2 3.08Å; I667-L690 WeakPolarHBondContact CA-O 3.38Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.42Å
668C91.5Very high85.4Confident0 Ų049.8 Ų49.80%032%0.315CS..EExtended strand (participates in β ladder)trans-136.2100.3162.2-172.90000110.3C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.29Å; C668-V677 HydrophobicContact CB-CG2 4.02Å; C668-L689 HydrophobicContact CB-CD1 4.29Å; C668-L690 PolarHBondContact N-O 2.89Å; C668-V691 HydrophobicContact CB-CG1 4.12Å; C668-V691 WeakPolarHBondContact O-CA 3.13Å; C668-V695 WeakPolarHBondContact O-CG2 3.44Å
669V90.3Very high85.2Confident43 Ų4353 Ų5326%0.26133%0.33SS..  trans-108.1-9.8-179.8-680000114.1V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.92Å; V651-V669 HydrophobicContact CG2-CG1 4.11Å; I667-V669 HydrophobicContact CG2-CG1 3.77Å; I667-V669 HydrophobicContact CG2-CG2 4.26Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.11Å
670S89.3Confident85.2Confident51 Ų5148.7 Ų48.736%0.35731%0.31SS..SBendtrans-150.8166.9177.669.80000110.8A672 C673S670-A672 PolarHBondContact O-N 3.19Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.08Å
671E83.9Confident84.9Confident98 Ų9848.3 Ų48.346%0.45830%0.295SS..G310 helixtrans-60.6-29.9179.5-53.4-157.6139.100112.9C673 Y674 R698E671-C673 PolarHBondContact O-N 3.32Å; E671-C673 VanDerWaalsContact O-N 3.16Å; E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.54Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact O-CB 3.49Å; E671-Y674 WeakPolarHBondContact O-CD2 3.47Å; E671-Y674 VanDerWaalsContact O-CG 3.31Å; E671-Y674 PolarHBondContact O-N 3.47Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; E671-R698 WeakPolarHBondContact OE1-CD 3.47Å; E671-R698 IonicContact OE1-CZ 3.66Å; E671-R698 IonicContact OE1-NE 3.93Å; E671-R698 IonicContact OE1-NH1 2.68Å; E671-R698 PolarHBondContact OE1-NH1 2.81Å; E671-R698 IonicContact OE2-NH1 2.83Å; E671-R698 PolarHBondContact OE2-NH1 3.07Å
672A84.4Confident84.7Confident89 Ų8953.9 Ų53.974%0.73631%0.313SS*.G310 helixtrans-61.8-20.9174.300000113S670S670-A672 PolarHBondContact O-N 3.19Å
673C85.7Confident84.2Confident26 Ų2656.2 Ų56.218%0.17631%0.308CS..G310 helixtrans-92.49.1177-57.50000113.7C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.29Å; S670-C673 WeakPolarHBondContact O-CB 3.41Å; S670-C673 PolarHBondContact O-N 3.08Å; E671-C673 PolarHBondContact O-N 3.32Å; E671-C673 VanDerWaalsContact O-N 3.16Å; C673-S675 PolarHBondContact O-N 2.95Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.38Å; C673-N676 PolarHBondContact O-N 3.08Å
674Y86.3Confident83.4Confident65 Ų6556.9 Ų56.926%0.25531%0.313SS..Hα-helixtrans-65.3-24.3-179.9-72.9-32000114E671 N676 V677 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.54Å; E671-Y674 HydrophobicContact CG-CE2 3.7Å; E671-Y674 WeakPolarHBondContact O-CB 3.49Å; E671-Y674 WeakPolarHBondContact O-CD2 3.47Å; E671-Y674 VanDerWaalsContact O-CG 3.31Å; E671-Y674 PolarHBondContact O-N 3.47Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; Y674-N676 PolarHBondContact O-N 2.67Å; Y674-V677 WeakPolarHBondContact O-CB 3.45Å; Y674-V677 PolarHBondContact O-N 3.02Å; Y674-V677 VanDerWaalsContact O-N 3.16Å; Y674-V695 HydrophobicContact CE1-CB 4.1Å; Y674-V695 HydrophobicContact CE1-CG1 4.32Å; Y674-V695 PolarHBondContact OH-O 3.06Å; Y674-R698 VanDerWaalsContact OH-CB 3.28Å; Y674-R698 WeakPolarHBondContact OH-CB 3.37Å; Y674-L699 HydrophobicContact CD1-CD1 4.04Å; Y674-L699 HydrophobicContact CE1-CD1 3.84Å
675S83.7Confident82.3Confident78 Ų7853.6 Ų53.655%0.54530%0.299SS..Hα-helixtrans-55.2-39.5168.246.20000112.5C673 V677 A678 E679C673-S675 PolarHBondContact O-N 2.95Å; S675-V677 PolarHBondContact O-N 2.92Å; S675-A678 PolarHBondContact O-N 3.47Å; S675-A678 VanDerWaalsContact O-N 3.14Å; S675-E679 PolarHBondContact O-N 2.93Å
676N84.1Confident81.2Confident48 Ų4857.2 Ų57.226%0.25732%0.324SS..Hα-helixtrans-63.5-25.1-179.7-55.4-2.6000112.3I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.26Å; I667-N676 PolarHBondContact O-ND2 3.08Å; C673-N676 VanDerWaalsContact O-CB 3.26Å; C673-N676 WeakPolarHBondContact O-CB 3.38Å; C673-N676 PolarHBondContact O-N 3.08Å; Y674-N676 PolarHBondContact O-N 2.67Å; N676-W680 VanDerWaalsContact O-CB 3.24Å; N676-W680 WeakPolarHBondContact O-CB 3.2Å; N676-W680 PolarHBondContact O-N 3.31Å
677V86.1Confident80.5Confident9 Ų956.3 Ų56.36%0.05532%0.322CS..Hα-helixtrans-73.1-43.6176.5-172.70000110.2C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 4.02Å; Y674-V677 WeakPolarHBondContact O-CB 3.45Å; Y674-V677 PolarHBondContact O-N 3.02Å; Y674-V677 VanDerWaalsContact O-N 3.16Å; S675-V677 PolarHBondContact O-N 2.92Å; V677-E679 PolarHBondContact O-N 3.17Å; V677-W680 HydrophobicContact CG1-CE3 4.06Å; V677-W680 HydrophobicContact CG1-CZ3 4.34Å; V677-W680 PolarHBondContact O-N 3.48Å; V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.35Å; V677-L681 WeakPolarHBondContact O-CG 3.3Å; V677-L681 PolarHBondContact O-N 2.98Å; V677-L689 HydrophobicContact CG1-CD2 4.34Å; V677-L689 HydrophobicContact CG2-CD2 4.3Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å
678A81.9Confident80.2Confident54 Ų5456 Ų5645%0.44632%0.321SS..Hα-helixtrans-71.3-18.4174.800000113.1S675 R682S675-A678 PolarHBondContact O-N 3.47Å; S675-A678 VanDerWaalsContact O-N 3.14Å; A678-R682 WeakPolarHBondContact O-CB 3.26Å; A678-R682 PolarHBondContact O-NH2 3.07Å
679E81.9Confident80.2Confident69 Ų6956 Ų5632%0.32232%0.321SS..Hα-helixtrans-80.7-50.2169.9-175170.6-135.800111.7S675 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 2.93Å; V677-E679 PolarHBondContact O-N 3.17Å; E679-L681 PolarHBondContact O-N 2.84Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.1Å; E679-Q683 HydrophobicContact CG-CG 4.12Å; E679-Q683 VanDerWaalsContact CG-NE2 3.32Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 PolarHBondContact O-N 3.49Å; E679-Q683 PolarHBondContact OE1-NE2 3.22Å; E679-Q683 PolarHBondContact OE1-OE1 3.38Å
680W86Confident80.4Confident0 Ų054 Ų540%031%0.308CS..Hα-helixtrans-50.8-51.4174.4165.660.6000112.2P640 A641 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 3.93Å; P640-W680 HydrophobicContact CB-CZ2 3.54Å; A641-W680 WeakPolarHBondContact O-CZ2 3.27Å; V642-W680 HydrophobicContact CG2-CH2 3.65Å; V642-W680 HydrophobicContact CG2-CZ2 4.27Å; V642-W680 HydrophobicContact CG2-CZ3 4.43Å; H666-W680 HydrophobicContact CB-CB 4Å; H666-W680 HydrophobicContact CB-CG 4.35Å; H666-W680 AromaticContact CD2-CD1 3.73Å; N676-W680 VanDerWaalsContact O-CB 3.24Å; N676-W680 WeakPolarHBondContact O-CB 3.2Å; N676-W680 PolarHBondContact O-N 3.31Å; V677-W680 HydrophobicContact CG1-CE3 4.06Å; V677-W680 HydrophobicContact CG1-CZ3 4.34Å; V677-W680 PolarHBondContact O-N 3.48Å; W680-R682 PolarHBondContact O-N 2.88Å; W680-R682 VanDerWaalsContact O-N 3.1Å; W680-S684 CarbonylContact O-C 3.58Å; W680-S684 PolarHBondContact O-N 3.08Å; W680-G687 VanDerWaalsContact NE1-C 3.33Å; W680-G687 PolarHBondContact NE1-O 3.33Å; W680-L689 HydrophobicContact CD2-CB 3.79Å; W680-L689 HydrophobicContact CD2-CD1 4.42Å; W680-L689 HydrophobicContact CD2-CD2 4.3Å; W680-L689 HydrophobicContact CD2-CG 4.38Å; W680-L689 HydrophobicContact CE3-CB 4.09Å; W680-L689 HydrophobicContact CE3-CD2 3.78Å; W680-L689 HydrophobicContact CE3-CG 4.34Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.45Å; W680-L689 HydrophobicContact CH2-CB 4.09Å; W680-L689 HydrophobicContact CH2-CD2 4.27Å; W680-L689 HydrophobicContact CZ2-CB 3.77Å; W680-L689 HydrophobicContact CZ3-CB 4.26Å; W680-L689 HydrophobicContact CZ3-CD2 3.78Å; W680-C701 HydrophobicContact CH2-CB 4.33Å; W680-C701 HydrophobicContact CZ3-CB 3.99Å; W680-I704 HydrophobicContact CH2-CG2 4.31Å
681L80.2Confident80.7Confident79 Ų7951.6 Ų51.641%0.41429%0.291SS..Hα-helixtrans-61.1-18.8177.6-71.9172.1000114.3V677 E679V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.35Å; V677-L681 WeakPolarHBondContact O-CG 3.3Å; V677-L681 PolarHBondContact O-N 2.98Å; E679-L681 PolarHBondContact O-N 2.84Å
682R77.4Confident81.2Confident173 Ų17347 Ų4765%0.65327%0.27SS*.Hα-helixtrans-102.3-39.7-175.7-164.5-162.7-39.1134.819.3112.9A678 E679 W680A678-R682 WeakPolarHBondContact O-CB 3.26Å; A678-R682 PolarHBondContact O-NH2 3.07Å; E679-R682 WeakPolarHBondContact O-CB 3.44Å; E679-R682 PolarHBondContact O-N 3.1Å; W680-R682 PolarHBondContact O-N 2.88Å; W680-R682 VanDerWaalsContact O-N 3.1Å
683Q68.5Low81.6Confident107 Ų10743 Ų4350%0.524%0.237SC..Hα-helixtrans-95.1-31.7-173.7-69.3175.3-300112.9E679E679-Q683 HydrophobicContact CG-CG 4.12Å; E679-Q683 VanDerWaalsContact CG-NE2 3.32Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 PolarHBondContact O-N 3.49Å; E679-Q683 PolarHBondContact OE1-NE2 3.22Å; E679-Q683 PolarHBondContact OE1-OE1 3.38Å
684S62.9Low81.9Confident31 Ų3146.6 Ų46.622%0.21725%0.254CS..  trans-136.970.5-169.9-59.40000110.8H666 W680 S686 G687H666-S684 PolarHBondContact NE2-OG 3.08Å; W680-S684 CarbonylContact O-C 3.58Å; W680-S684 PolarHBondContact O-N 3.08Å; S684-S686 PolarHBondContact O-N 3.04Å; S684-S686 VanDerWaalsContact O-N 3.14Å; S684-G687 WeakPolarHBondContact O-CA 3.42Å; S684-G687 PolarHBondContact O-N 3.11Å
685P56.9Low82.2Confident55 Ų5543.6 Ų43.636%0.35724%0.243SC..THydrogen-bonded Turntrans-62.1-20.317925.5-34.5000113.6N638 E639 P640N638-P685 CarbonylContact C-O 3.39Å; N638-P685 HydrophobicContact CB-CB 4.29Å; E639-P685 CarbonylContact C-O 3.24Å; E639-P685 VanDerWaalsContact C-O 3.24Å; P640-P685 WeakPolarHBondContact CA-O 3.46Å; P640-P685 WeakPolarHBondContact CD-O 3.45Å; P640-P685 VanDerWaalsContact N-O 3.08Å
686S62Low82.6Confident83 Ų8340 Ų4058%0.5822%0.217SC*.THydrogen-bonded Turntrans-102.413.8169.954.70000113.8S684S684-S686 PolarHBondContact O-N 3.04Å; S684-S686 VanDerWaalsContact O-N 3.14Å
687G74.6Confident82.7Confident10 Ų1041.7 Ų41.710%0.10323%0.231CC..  trans-85.3159.6-175.700000113.5A641 W680 S684A641-G687 PolarHBondContact N-O 3.5Å; W680-G687 VanDerWaalsContact NE1-C 3.33Å; W680-G687 PolarHBondContact NE1-O 3.33Å; S684-G687 WeakPolarHBondContact O-CA 3.42Å; S684-G687 PolarHBondContact O-N 3.11Å
688L86.9Confident82.6Confident9 Ų949.1 Ų49.15%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-92.3133.6174.5-172.366.6000111A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.72Å; M643-L688 HydrophobicContact CB-CD1 4.02Å; M643-L688 HydrophobicContact CE-CD1 4.31Å; M643-L688 HydrophobicContact CE-CD2 3.86Å; M643-L688 HydrophobicContact SD-CD2 4.38Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; A665-L688 CarbonylContact C-O 3.5Å; A665-L688 VanDerWaalsContact CA-O 3.29Å; A665-L688 WeakPolarHBondContact CA-O 3.4Å; A665-L688 HydrophobicContact CB-CB 4.17Å; A665-L688 HydrophobicContact CB-CD2 4.35Å; H666-L688 PolarHBondContact N-O 3.32Å; L688-L690 HydrophobicContact CD2-CD2 3.7Å; L688-L690 HydrophobicContact CG-CD2 4.02Å
689L91.8Very high82.9Confident0 Ų047.3 Ų47.30%024%0.241CC..EExtended strand (participates in β ladder)trans-106.6117.2169-177.771.3000110.4A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.31Å; V642-L689 HydrophobicContact CG2-CB 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 3.4Å; H666-L689 HydrophobicContact CB-CD1 3.89Å; C668-L689 HydrophobicContact CB-CD1 4.29Å; V677-L689 HydrophobicContact CG1-CD2 4.34Å; V677-L689 HydrophobicContact CG2-CD2 4.3Å; W680-L689 HydrophobicContact CD2-CB 3.79Å; W680-L689 HydrophobicContact CD2-CD1 4.42Å; W680-L689 HydrophobicContact CD2-CD2 4.3Å; W680-L689 HydrophobicContact CD2-CG 4.38Å; W680-L689 HydrophobicContact CE3-CB 4.09Å; W680-L689 HydrophobicContact CE3-CD2 3.78Å; W680-L689 HydrophobicContact CE3-CG 4.34Å; W680-L689 HydrophobicContact CG-CB 4.32Å; W680-L689 HydrophobicContact CG-CD1 4.45Å; W680-L689 HydrophobicContact CH2-CB 4.09Å; W680-L689 HydrophobicContact CH2-CD2 4.27Å; W680-L689 HydrophobicContact CZ2-CB 3.77Å; W680-L689 HydrophobicContact CZ3-CB 4.26Å; W680-L689 HydrophobicContact CZ3-CD2 3.78Å; L689-V691 HydrophobicContact CD2-CG1 3.77Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; L689-L699 HydrophobicContact CD2-CD2 4.38Å
690L93.9Very high83.1Confident0 Ų052.8 Ų52.80%026%0.263CS..EExtended strand (participates in β ladder)trans-89.6127.3173.2-52179.6000110.3M643 V651 L654 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.95Å; M643-L690 HydrophobicContact CG-CD2 4.2Å; M643-L690 HydrophobicContact SD-CD2 3.62Å; V651-L690 HydrophobicContact CG1-CB 3.71Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; L654-L690 HydrophobicContact CD2-CD2 4.43Å; R655-L690 HydrophobicContact CB-CD1 3.94Å; L658-L690 HydrophobicContact CD1-CD1 4.2Å; L658-L690 HydrophobicContact CD1-CD2 4.07Å; A665-L690 HydrophobicContact CB-CD1 4.05Å; A665-L690 HydrophobicContact CB-CD2 4.5Å; A665-L690 HydrophobicContact CB-CG 3.99Å; H666-L690 PolarHBondContact O-N 3.43Å; I667-L690 WeakPolarHBondContact CA-O 3.38Å; I667-L690 HydrophobicContact CG1-CB 4.38Å; I667-L690 HydrophobicContact CG1-CD1 4.42Å; C668-L690 PolarHBondContact N-O 2.89Å; L688-L690 HydrophobicContact CD2-CD2 3.7Å; L688-L690 HydrophobicContact CG-CD2 4.02Å
691V95.6Very high82.9Confident0 Ų053 Ų530%027%0.265CS..EExtended strand (participates in β ladder)trans-136.9163.7-178.9-53.10000112.8V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.37Å; V642-V691 HydrophobicContact CG1-CG2 3.88Å; M643-V691 PolarHBondContact O-N 2.62Å; V644-V691 WeakPolarHBondContact CA-O 3.2Å; V644-V691 HydrophobicContact CB-CG2 4.26Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; C645-V691 PolarHBondContact N-O 3.4Å; C668-V691 HydrophobicContact CB-CG1 4.12Å; C668-V691 WeakPolarHBondContact O-CA 3.13Å; L689-V691 HydrophobicContact CD2-CG1 3.77Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; V691-V695 HydrophobicContact CB-CG2 3.77Å; V691-V695 HydrophobicContact CG1-CG2 4.3Å; V691-V696 HydrophobicContact CG2-CG2 4.3Å; V691-L699 HydrophobicContact CB-CD2 4.49Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.43Å
692T94.8Very high83Confident2 Ų251.2 Ų51.21%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-105.4161.6168.552.90000111.2V651 V669 D694 V695V651-T692 HydrophobicContact CG2-CG2 4.04Å; V669-T692 HydrophobicContact CG1-CG2 4.1Å; V669-T692 PolarHBondContact O-OG1 3.11Å; T692-D694 PolarHBondContact O-N 3.23Å; T692-D694 VanDerWaalsContact O-N 3.09Å; T692-V695 VanDerWaalsContact O-CG2 3.27Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 3.44Å
693D93.4Very high83.4Confident6 Ų648.1 Ų48.13%0.03226%0.257CS..THydrogen-bonded Turntrans-56.2-22.7175.4-79.1-62.8000114.3A713 R722D693-A713 VanDerWaalsContact OD2-CB 3.26Å; D693-A713 WeakPolarHBondContact OD2-CB 3.43Å; D693-R722 WeakPolarHBondContact OD1-CG 3.05Å; D693-R722 IonicContact OD1-CZ 2.62Å; D693-R722 IonicContact OD1-NE 3.7Å; D693-R722 PolarHBondContact OD1-NE 3.03Å; D693-R722 IonicContact OD1-NH2 2.66Å; D693-R722 IonicContact OD2-CZ 2.78Å; D693-R722 IonicContact OD2-NE 3.62Å; D693-R722 PolarHBondContact OD2-NE 3.03Å; D693-R722 IonicContact OD2-NH2 3.06Å; D693-R722 PolarHBondContact OD2-NH2 2.97Å
694D91.4Very high84.3Confident101 Ų10143 Ų4354%0.5423%0.233SC..THydrogen-bonded Turntrans-72.3-32.9-177-61.5-60.7000113.6T692 P697 R718T692-D694 PolarHBondContact O-N 3.23Å; T692-D694 VanDerWaalsContact O-N 3.09Å; D694-P697 WeakPolarHBondContact O-CD 3.45Å; D694-R718 IonicContact OD1-CZ 3.52Å; D694-R718 IonicContact OD1-NH1 3.11Å; D694-R718 PolarHBondContact OD1-NH1 2.99Å; D694-R718 IonicContact OD1-NH2 3.01Å; D694-R718 PolarHBondContact OD1-NH2 3.42Å; D694-R718 IonicContact OD2-NH2 3.82Å; D694-R718 PolarHBondContact OD2-NH2 3.44Å
695V92.1Very high85.4Confident2 Ų242.9 Ų42.91%0.01223%0.231CC..THydrogen-bonded Turntrans-84.6-26179.6-66.90000113C668 Y674 V691 T692 R698 L699C668-V695 WeakPolarHBondContact O-CG2 3.44Å; Y674-V695 HydrophobicContact CE1-CB 4.1Å; Y674-V695 HydrophobicContact CE1-CG1 4.32Å; Y674-V695 PolarHBondContact OH-O 3.06Å; V691-V695 HydrophobicContact CB-CG2 3.77Å; V691-V695 HydrophobicContact CG1-CG2 4.3Å; T692-V695 VanDerWaalsContact O-CG2 3.27Å; T692-V695 WeakPolarHBondContact O-CG2 3.5Å; T692-V695 PolarHBondContact O-N 3.44Å; V695-R698 PolarHBondContact O-N 2.82Å; V695-L699 HydrophobicContact CG2-CD1 4.5Å; V695-L699 WeakPolarHBondContact O-CB 3.47Å; V695-L699 PolarHBondContact O-N 2.84Å; V695-L699 VanDerWaalsContact O-N 3.1Å
696V91.7Very high87Confident2 Ų240.7 Ų40.71%0.01222%0.216CC..G310 helixtrans-46.6-48.6-176167.80000114.1V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.35Å; V691-V696 HydrophobicContact CG2-CG2 4.3Å; V696-R698 PolarHBondContact O-N 3.26Å; V696-L699 PolarHBondContact O-N 3.13Å; V696-L699 VanDerWaalsContact O-N 3.15Å; V696-N721 WeakPolarHBondContact CG1-O 3.07Å; V696-L725 HydrophobicContact CG1-CG 4.43Å
697P86.2Confident88.5Confident83 Ų8336.8 Ų36.854%0.53919%0.189SC..G310 helixtrans-61.1-18.1-173.1-20.230.1000115.3D694D694-P697 WeakPolarHBondContact O-CD 3.45Å
698R85.3Confident89.4Confident165 Ų16536.3 Ų36.362%0.62318%0.184SC*.G310 helixtrans-121.7-3.6-178.1-73.4172.6175.9-164.60.5112.9E671 Y674 V695 V696E671-R698 WeakPolarHBondContact OE1-CD 3.47Å; E671-R698 IonicContact OE1-CZ 3.66Å; E671-R698 IonicContact OE1-NE 3.93Å; E671-R698 IonicContact OE1-NH1 2.68Å; E671-R698 PolarHBondContact OE1-NH1 2.81Å; E671-R698 IonicContact OE2-NH1 2.83Å; E671-R698 PolarHBondContact OE2-NH1 3.07Å; Y674-R698 VanDerWaalsContact OH-CB 3.28Å; Y674-R698 WeakPolarHBondContact OH-CB 3.37Å; V695-R698 PolarHBondContact O-N 2.82Å; V696-R698 PolarHBondContact O-N 3.26Å
699L87.9Confident89.9Confident17 Ų1735.9 Ų35.99%0.08918%0.182CC..  trans-69.6131.1-176.6-162.770.2000111.1Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.04Å; Y674-L699 HydrophobicContact CE1-CD1 3.84Å; V677-L699 HydrophobicContact CG2-CD1 3.73Å; L689-L699 HydrophobicContact CD2-CD2 4.38Å; V691-L699 HydrophobicContact CB-CD2 4.49Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.43Å; V695-L699 HydrophobicContact CG2-CD1 4.5Å; V695-L699 WeakPolarHBondContact O-CB 3.47Å; V695-L699 PolarHBondContact O-N 2.84Å; V695-L699 VanDerWaalsContact O-N 3.1Å; V696-L699 PolarHBondContact O-N 3.13Å; V696-L699 VanDerWaalsContact O-N 3.15Å; L699-C701 WeakPolarHBondContact CD2-SG 3.49Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.88Å; L699-L725 HydrophobicContact CG-CD2 4.36Å
700K84.8Confident90Very high183 Ų18336.2 Ų36.280%0.79618%0.183SC*.  trans-117.278.6-178.9-67.2-179.4-177.8175.80110.6G702K700-G702 VanDerWaalsContact C-N 3.31Å; K700-G702 PolarHBondContact O-N 3.3Å
701C82.1Confident89.9Confident5 Ų537.1 Ų37.13%0.03419%0.19CC..  trans-78.7-5-179.5-65.60000115V642 W680 L699 I704V642-C701 HydrophobicContact CG2-CB 4.33Å; W680-C701 HydrophobicContact CH2-CB 4.33Å; W680-C701 HydrophobicContact CZ3-CB 3.99Å; L699-C701 WeakPolarHBondContact CD2-SG 3.49Å; C701-I704 HydrophobicContact CB-CG2 3.68Å
702G83.8Confident89.8Confident41 Ų4137.9 Ų37.942%0.42319%0.193SC..  trans67.5-149.7-166.100000110.8K700 A728K700-G702 VanDerWaalsContact C-N 3.31Å; K700-G702 PolarHBondContact O-N 3.3Å; G702-A728 WeakPolarHBondContact O-CB 3.18Å
703K85.6Confident89.6Confident109 Ų10938 Ų3847%0.47419%0.194SC..  trans-80.4130.5177.9-65.1-172.5176.3-178.30110.5A728 N729 S732K703-A728 WeakPolarHBondContact CE-O 3.08Å; K703-A728 HydrophobicContact CG-CB 4.28Å; K703-N729 VanDerWaalsContact CA-OD1 3.25Å; K703-N729 WeakPolarHBondContact CA-OD1 3.21Å; K703-S732 VanDerWaalsContact NZ-CB 3.3Å; K703-S732 PolarHBondContact NZ-OG 2.87Å
704I87.3Confident89.3Confident0 Ų042.6 Ų42.60%023%0.227CC..  trans-122.7112.3179.754.6149.1000111.9V642 W680 C701 L706 L707 L725 F726 N729V642-I704 HydrophobicContact CB-CD1 4.34Å; V642-I704 HydrophobicContact CG2-CD1 4.22Å; V642-I704 HydrophobicContact CG2-CG2 3.8Å; W680-I704 HydrophobicContact CH2-CG2 4.31Å; C701-I704 HydrophobicContact CB-CG2 3.68Å; I704-L706 PolarHBondContact O-N 3.44Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.42Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.33Å; I704-F726 HydrophobicContact CD1-CD1 4.35Å; I704-F726 HydrophobicContact CD1-CE1 4.21Å; I704-F726 HydrophobicContact CG1-CD1 4.14Å; I704-F726 HydrophobicContact CG1-CE1 4.26Å; I704-F726 VanDerWaalsContact O-CE1 3.3Å; I704-F726 WeakPolarHBondContact O-CE1 3.36Å; I704-N729 PolarHBondContact N-ND2 3.27Å; I704-N729 PolarHBondContact N-OD1 2.89Å; I704-N729 PolarHBondContact O-ND2 2.98Å
705P85.9Confident89.3Confident28 Ų2842.5 Ų42.518%0.18222%0.224CC..SBendtrans-66.4-22.1177.823.4-33.9000113.8E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CG 3.6Å; E639-P705 HydrophobicContact CG-CB 4.37Å; E639-P705 HydrophobicContact CG-CG 3.82Å; P640-P705 VanDerWaalsContact O-CD 3.26Å; P640-P705 WeakPolarHBondContact O-CD 3.49Å; P705-G739 CarbonylContact O-C 3.56Å; P705-G739 WeakPolarHBondContact O-CA 3.43Å; P705-Q740 PolarHBondContact O-N 2.85Å
706L89.1Confident89.3Confident9 Ų944.9 Ų44.95%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-140.3128.3-171.8175.561.8000112.6L629 R633 A641 V642 I704 I708 Q740 V742L629-L706 HydrophobicContact CD2-CD1 4.32Å; L629-L706 HydrophobicContact CD2-CD2 3.55Å; R633-L706 HydrophobicContact CG-CD2 4.41Å; A641-L706 HydrophobicContact CB-CB 4.23Å; A641-L706 HydrophobicContact CB-CD2 3.85Å; A641-L706 HydrophobicContact CB-CG 4.17Å; V642-L706 PolarHBondContact N-O 3.46Å; V642-L706 VanDerWaalsContact N-O 3.08Å; I704-L706 PolarHBondContact O-N 3.44Å; L706-I708 HydrophobicContact CD1-CG1 4.09Å; L706-I708 HydrophobicContact CD2-CD1 4.24Å; L706-I708 HydrophobicContact CD2-CG1 4.37Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.07Å; L706-Q740 WeakPolarHBondContact CA-O 3.25Å; L706-Q740 HydrophobicContact CD1-CB 4.49Å; L706-V742 HydrophobicContact CD1-CG2 4.04Å
707L94.1Very high89.3Confident0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-120.4120.4171.8-178.862000110V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.2Å; V642-L707 HydrophobicContact CG1-CD1 4.29Å; V642-L707 CarbonylContact O-C 3.52Å; V642-L707 WeakPolarHBondContact O-CA 3.39Å; V644-L707 HydrophobicContact CG2-CD1 3.82Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.42Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.32Å; L707-R722 HydrophobicContact CD2-CB 4.36Å; L707-R722 WeakPolarHBondContact CD2-O 3.13Å; L707-L725 HydrophobicContact CD1-CD1 3.72Å; L707-F726 HydrophobicContact CB-CE1 4.37Å; L707-F726 HydrophobicContact CB-CE2 3.68Å; L707-F726 HydrophobicContact CB-CZ 3.43Å; L707-F726 VanDerWaalsContact CB-CZ 3.43Å; L707-F726 HydrophobicContact CD2-CD2 4.27Å; L707-F726 HydrophobicContact CD2-CE2 3.63Å; L707-F726 HydrophobicContact CD2-CZ 4.29Å; L707-F726 HydrophobicContact CG-CE2 4.31Å; L707-Q740 PolarHBondContact N-O 3.11Å; L707-S741 CarbonylContact O-C 3.57Å; L707-S741 WeakPolarHBondContact O-CA 3.47Å; L707-V742 PolarHBondContact O-N 3.49Å
708I94.7Very high89.6Confident0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-107.3126.2177.7-52.9170.3000109.4L626 L629 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.82Å; L629-I708 HydrophobicContact CD2-CD1 3.84Å; L629-I708 HydrophobicContact CD2-CG1 4.46Å; V642-I708 PolarHBondContact O-N 3.27Å; M643-I708 CarbonylContact C-O 3.59Å; M643-I708 VanDerWaalsContact CA-O 3.28Å; M643-I708 WeakPolarHBondContact CA-O 3.24Å; M643-I708 HydrophobicContact CB-CB 4.18Å; M643-I708 HydrophobicContact CE-CB 4.12Å; M643-I708 HydrophobicContact CE-CD1 3.69Å; M643-I708 HydrophobicContact CE-CG2 3.96Å; M643-I708 HydrophobicContact CG-CB 4.08Å; M643-I708 HydrophobicContact CG-CG2 4.27Å; V644-I708 PolarHBondContact N-O 3.03Å; L706-I708 HydrophobicContact CD1-CG1 4.09Å; L706-I708 HydrophobicContact CD2-CD1 4.24Å; L706-I708 HydrophobicContact CD2-CG1 4.37Å; L706-I708 HydrophobicContact CG-CD1 4.46Å; L706-I708 HydrophobicContact CG-CG1 4.07Å; I708-V742 CarbonylContact C-O 3.55Å; I708-V742 WeakPolarHBondContact CA-O 3.45Å; I708-F744 HydrophobicContact CG2-CE2 4.39Å; I708-F744 HydrophobicContact CG2-CZ 4.32Å
709H96Very high90.1Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-100.290.6174.1-53.4-124000106.9L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 WeakPolarHBondContact CD2-NE2 3.32Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 3.3Å; H709-F719 HydrophobicContact CB-CE2 4.22Å; H709-F719 AromaticContact CE1-CE2 3.95Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.75Å; H709-F719 AromaticContact ND1-CE2 3.24Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.49Å; H709-F719 AromaticContact ND1-CZ 3.86Å; H709-R722 WeakPolarHBondContact ND1-CD 3.34Å; H709-F723 AromaticContact CE1-CE2 3.4Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.48Å; H709-F723 AromaticContact CE1-CZ 3.64Å; H709-F723 AromaticContact NE2-CE2 3.94Å; H709-F723 AromaticContact NE2-CZ 3.71Å; H709-S741 PolarHBondContact CD2-OG 3.42Å; H709-S741 PolarHBondContact NE2-OG 3.07Å; H709-V742 PolarHBondContact N-O 2.93Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.25Å; H709-F744 PolarHBondContact O-N 2.99Å
710Y94.6Very high90.4Very high7 Ų739.6 Ų39.63%0.02722%0.216CC..SBendtrans-67.1-34.2-173.1-173.3-89.6000112.8E619 K622 I623 M643 V644 E650 L654 F744E619-Y710 VanDerWaalsContact OE2-CE1 3.3Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.4Å; E619-Y710 PolarHBondContact OE2-OH 3.49Å; K622-Y710 HydrophobicContact CB-CE2 4.11Å; K622-Y710 HydrophobicContact CD-CE1 3.9Å; K622-Y710 HydrophobicContact CD-CE2 4.1Å; K622-Y710 WeakPolarHBondContact CE-O 3.38Å; K622-Y710 PolarHBondContact NZ-O 3.1Å; I623-Y710 HydrophobicContact CD1-CE2 4.45Å; M643-Y710 HydrophobicContact CE-CD2 4.5Å; M643-Y710 HydrophobicContact SD-CD2 3.95Å; M643-Y710 HydrophobicContact SD-CG 4.29Å; V644-Y710 PolarHBondContact O-N 3.08Å; V644-Y710 VanDerWaalsContact O-N 3.13Å; E650-Y710 HydrophobicContact CG-CD1 4.29Å; E650-Y710 HydrophobicContact CG-CE1 4.45Å; L654-Y710 HydrophobicContact CD1-CD2 4.36Å; L654-Y710 HydrophobicContact CD1-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CD1 4.02Å; L654-Y710 HydrophobicContact CD2-CD2 3.55Å; L654-Y710 HydrophobicContact CD2-CE1 4.2Å; L654-Y710 HydrophobicContact CD2-CE2 3.72Å; L654-Y710 HydrophobicContact CD2-CG 3.71Å; L654-Y710 HydrophobicContact CG-CE2 4.4Å; Y710-F744 HydrophobicContact CD2-CD2 4.01Å; Y710-F744 HydrophobicContact CD2-CE2 4.17Å; Y710-F744 HydrophobicContact CE2-CD2 4.37Å; Y710-F744 HydrophobicContact CE2-CE2 4.43Å
711S92.3Very high90.8Very high20 Ų2033.2 Ų33.214%0.1419%0.191CC..SBendtrans-143.7150.3172.1-72.10000108.9K622 E650 H709 R722K622-S711 PolarHBondContact NZ-OG 2.97Å; E650-S711 VanDerWaalsContact OE1-CB 3.28Å; E650-S711 WeakPolarHBondContact OE1-CB 3.32Å; E650-S711 PolarHBondContact OE1-OG 2.68Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 3.3Å; S711-R722 PolarHBondContact O-NH1 3.49Å; S711-R722 PolarHBondContact O-NH2 3.14Å; S711-R722 VanDerWaalsContact O-NH2 3.11Å
712F92.3Very high91.4Very high15 Ų1533 Ų337%0.06619%0.189CC..  trans-59.7158.3176.9-78-74.7000112.5F719 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.81Å; F712-F719 HydrophobicContact CD1-CD2 3.81Å; F712-F719 AromaticContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CD2 4.32Å; F712-F719 AromaticContact CE1-CE2 3.89Å; F712-F719 HydrophobicContact CE1-CE2 3.89Å; F712-F719 HydrophobicContact CE1-CZ 4.23Å; F712-V743 HydrophobicContact CE1-CG1 3.81Å; F712-V743 HydrophobicContact CZ-CG1 3.78Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.86Å; F712-D749 HydrophobicContact CD2-CB 3.78Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.42Å; F712-D749 HydrophobicContact CE2-CB 3.64Å; F712-N752 HydrophobicContact CD1-CB 3.66Å; F712-N752 HydrophobicContact CD2-CB 3.98Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.85Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å
713A91.4Very high91.9Very high5 Ų531.1 Ų31.14%0.04117%0.169CC..  trans-79.7154169.700000109.8D693 M715 R718 F719D693-A713 VanDerWaalsContact OD2-CB 3.26Å; D693-A713 WeakPolarHBondContact OD2-CB 3.43Å; A713-M715 PolarHBondContact O-N 3.25Å; A713-M715 VanDerWaalsContact O-N 3.08Å; A713-R718 HydrophobicContact CB-CB 3.83Å; A713-F719 HydrophobicContact CB-CB 3.89Å
714S87.4Confident92.3Very high103 Ų10326.9 Ų26.972%0.7215%0.153SC*.SBendtrans-58.8-21.1175.455.80000114.3
715M90.8Very high92.5Very high99 Ų9927.3 Ų27.349%0.48816%0.156SC..SBendtrans-139.7141.6178.5-65.9-175.2-75.700111.1A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.25Å; A713-M715 VanDerWaalsContact O-N 3.08Å; M715-A717 PolarHBondContact O-N 3.17Å; M715-R718 HydrophobicContact CE-CG 4.16Å; M715-R718 PolarHBondContact O-N 3.42Å; M715-F719 PolarHBondContact O-N 2.75Å
716W92.4Very high92.8Very high51 Ų5126 Ų2619%0.19315%0.147CC..Hα-helixtrans-55.5-36.9177.9-174.6-124.7000113.2L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.36Å; L601-W716 HydrophobicContact CD2-CZ2 4.1Å; W716-R718 VanDerWaalsContact C-N 3.35Å; W716-R718 PolarHBondContact O-N 3.28Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.36Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.82Å; W716-F719 HydrophobicContact CH2-CD1 3.82Å; W716-F719 AromaticContact CH2-CE1 3.8Å; W716-F719 HydrophobicContact CH2-CE1 3.8Å; W716-F719 AromaticContact CZ3-CD1 3.26Å; W716-F719 HydrophobicContact CZ3-CD1 3.26Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 HydrophobicContact CZ3-CZ 4.5Å; W716-F719 PolarHBondContact O-N 3.01Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.17Å; W716-K720 HydrophobicContact CZ2-CG 4.19Å; W716-K720 WeakPolarHBondContact O-CG 3.43Å; W716-K720 PolarHBondContact O-N 3.38Å; W716-K755 HydrophobicContact CB-CD 4.04Å; W716-K755 HydrophobicContact CD2-CB 4.08Å; W716-K755 HydrophobicContact CD2-CD 3.91Å; W716-K755 HydrophobicContact CD2-CG 4.41Å; W716-K755 HydrophobicContact CE3-CB 3.98Å; W716-K755 HydrophobicContact CE3-CD 4.02Å; W716-K755 HydrophobicContact CG-CD 3.91Å; W716-K755 HydrophobicContact CH2-CB 4.02Å; W716-K755 HydrophobicContact CZ2-CB 4.09Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.32Å; W716-L756 HydrophobicContact CZ3-CD2 4.45Å; W716-L756 HydrophobicContact CZ3-CG 4.42Å
717A90.8Very high92.8Very high68 Ų6826 Ų2656%0.56215%0.147SC*.Hα-helixtrans-62.5-38.6175.600000112.8M715 N721M715-A717 PolarHBondContact O-N 3.17Å; A717-N721 WeakPolarHBondContact O-CB 3.26Å; A717-N721 PolarHBondContact O-N 3.26Å
718R92.7Very high92.5Very high71 Ų7127.1 Ų27.127%0.26816%0.155SC..Hα-helixtrans-69.9-42.9175.3-70.3178.467.3116.1-11110.9D694 A713 M715 W716 K720 N721 R722D694-R718 IonicContact OD1-CZ 3.52Å; D694-R718 IonicContact OD1-NH1 3.11Å; D694-R718 PolarHBondContact OD1-NH1 2.99Å; D694-R718 IonicContact OD1-NH2 3.01Å; D694-R718 PolarHBondContact OD1-NH2 3.42Å; D694-R718 IonicContact OD2-NH2 3.82Å; D694-R718 PolarHBondContact OD2-NH2 3.44Å; A713-R718 HydrophobicContact CB-CB 3.83Å; M715-R718 HydrophobicContact CE-CG 4.16Å; M715-R718 PolarHBondContact O-N 3.42Å; W716-R718 VanDerWaalsContact C-N 3.35Å; W716-R718 PolarHBondContact O-N 3.28Å; R718-K720 PolarHBondContact O-N 2.9Å; R718-N721 WeakPolarHBondContact O-CB 3.12Å; R718-N721 PolarHBondContact O-N 2.69Å; R718-N721 VanDerWaalsContact O-N 3.09Å; R718-R722 PolarHBondContact O-N 3.43Å
719F95.3Very high92.1Very high1 Ų127.7 Ų27.70%0.00416%0.159CC..Hα-helixtrans-56.1-48.6174.3177.2-94.9000112H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.22Å; H709-F719 AromaticContact CE1-CE2 3.95Å; H709-F719 AromaticContact CG-CE2 3.94Å; H709-F719 AromaticContact ND1-CD2 3.75Å; H709-F719 AromaticContact ND1-CE2 3.24Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.49Å; H709-F719 AromaticContact ND1-CZ 3.86Å; F712-F719 AromaticContact CD1-CD2 3.81Å; F712-F719 HydrophobicContact CD1-CD2 3.81Å; F712-F719 AromaticContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CD1-CE2 3.79Å; F712-F719 HydrophobicContact CE1-CD2 4.32Å; F712-F719 AromaticContact CE1-CE2 3.89Å; F712-F719 HydrophobicContact CE1-CE2 3.89Å; F712-F719 HydrophobicContact CE1-CZ 4.23Å; A713-F719 HydrophobicContact CB-CB 3.89Å; M715-F719 PolarHBondContact O-N 2.75Å; W716-F719 HydrophobicContact CE3-CB 4.26Å; W716-F719 AromaticContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CD1 3.65Å; W716-F719 HydrophobicContact CE3-CE1 4.36Å; W716-F719 HydrophobicContact CE3-CG 4.19Å; W716-F719 AromaticContact CH2-CD1 3.82Å; W716-F719 HydrophobicContact CH2-CD1 3.82Å; W716-F719 AromaticContact CH2-CE1 3.8Å; W716-F719 HydrophobicContact CH2-CE1 3.8Å; W716-F719 AromaticContact CZ3-CD1 3.26Å; W716-F719 HydrophobicContact CZ3-CD1 3.26Å; W716-F719 AromaticContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CE1 3.51Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 HydrophobicContact CZ3-CZ 4.5Å; W716-F719 PolarHBondContact O-N 3.01Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 2.71Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.34Å; F719-R722 WeakPolarHBondContact O-CG 3.21Å; F719-R722 PolarHBondContact O-N 3.39Å; F719-F723 HydrophobicContact CD1-CE2 4.29Å; F719-F723 AromaticContact CE1-CE2 3.76Å; F719-F723 HydrophobicContact CE1-CE2 3.76Å; F719-F723 HydrophobicContact CE1-CZ 4.36Å; F719-F723 HydrophobicContact CZ-CE2 4.04Å; F719-F723 HydrophobicContact CZ-CZ 4.39Å; F719-V743 HydrophobicContact CE2-CG1 4.25Å; F719-V743 HydrophobicContact CE2-CG2 4.28Å; F719-V743 HydrophobicContact CZ-CG1 4.4Å; F719-V743 HydrophobicContact CZ-CG2 3.9Å; F719-L756 HydrophobicContact CE1-CD2 4.25Å; F719-L756 HydrophobicContact CZ-CD2 4.33Å
720K94.6Very high91.4Very high17 Ų1728.7 Ų28.77%0.07416%0.164CC..Hα-helixtrans-62.4-37.6175.3-68.2-165.9-66.1177.50112.3N417 D599 L601 W716 R718 R722 F723N417-K720 PolarHBondContact ND2-NZ 3.04Å; N417-K720 PolarHBondContact OD1-NZ 3.01Å; D599-K720 WeakPolarHBondContact OD2-CD 3.47Å; D599-K720 WeakPolarHBondContact OD2-CE 3.48Å; D599-K720 IonicContact OD2-NZ 3.12Å; D599-K720 PolarHBondContact OD2-NZ 3.35Å; L601-K720 HydrophobicContact CB-CB 4.07Å; L601-K720 HydrophobicContact CB-CD 4.13Å; L601-K720 HydrophobicContact CB-CG 3.93Å; L601-K720 HydrophobicContact CD2-CD 3.96Å; L601-K720 HydrophobicContact CD2-CG 3.79Å; W716-K720 HydrophobicContact CD2-CG 4.29Å; W716-K720 HydrophobicContact CZ2-CD 4.17Å; W716-K720 HydrophobicContact CZ2-CG 4.19Å; W716-K720 WeakPolarHBondContact O-CG 3.43Å; W716-K720 PolarHBondContact O-N 3.38Å; R718-K720 PolarHBondContact O-N 2.9Å; K720-R722 PolarHBondContact O-N 2.91Å; K720-F723 WeakPolarHBondContact O-CB 3.27Å; K720-F723 WeakPolarHBondContact O-CD2 3.41Å; K720-F723 PolarHBondContact O-N 2.87Å; K720-F723 VanDerWaalsContact O-N 3.12Å
721N93.1Very high90.6Very high49 Ų4932.8 Ų32.826%0.26218%0.182SC..Hα-helixtrans-63.7-22.8177.2-170.561.4000113.8V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.07Å; A717-N721 WeakPolarHBondContact O-CB 3.26Å; A717-N721 PolarHBondContact O-N 3.26Å; R718-N721 WeakPolarHBondContact O-CB 3.12Å; R718-N721 PolarHBondContact O-N 2.69Å; R718-N721 VanDerWaalsContact O-N 3.09Å; F719-N721 VanDerWaalsContact C-N 3.32Å; F719-N721 PolarHBondContact O-N 2.71Å; N721-F723 PolarHBondContact O-N 2.98Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.38Å; N721-S724 PolarHBondContact O-N 2.69Å; N721-S724 PolarHBondContact O-OG 3.01Å
722R95.2Very high89.1Confident0 Ų034 Ų340%019%0.19CC..G310 helixtrans-56.6-32.1172-61.1178177.9-170.50.6112.8V644 D693 L707 H709 S711 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CB-CG 4.41Å; V644-R722 HydrophobicContact CG1-CG 4.11Å; V644-R722 VanDerWaalsContact CG1-NE 3.34Å; V644-R722 HydrophobicContact CG2-CB 4.46Å; V644-R722 HydrophobicContact CG2-CG 4.24Å; V644-R722 PolarHBondContact O-NH1 3.06Å; D693-R722 WeakPolarHBondContact OD1-CG 3.05Å; D693-R722 IonicContact OD1-CZ 2.62Å; D693-R722 IonicContact OD1-NE 3.7Å; D693-R722 PolarHBondContact OD1-NE 3.03Å; D693-R722 IonicContact OD1-NH2 2.66Å; D693-R722 IonicContact OD2-CZ 2.78Å; D693-R722 IonicContact OD2-NE 3.62Å; D693-R722 PolarHBondContact OD2-NE 3.03Å; D693-R722 IonicContact OD2-NH2 3.06Å; D693-R722 PolarHBondContact OD2-NH2 2.97Å; L707-R722 HydrophobicContact CD2-CB 4.36Å; L707-R722 WeakPolarHBondContact CD2-O 3.13Å; H709-R722 WeakPolarHBondContact ND1-CD 3.34Å; S711-R722 PolarHBondContact O-NH1 3.49Å; S711-R722 PolarHBondContact O-NH2 3.14Å; S711-R722 VanDerWaalsContact O-NH2 3.11Å; R718-R722 PolarHBondContact O-N 3.43Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.34Å; F719-R722 WeakPolarHBondContact O-CG 3.21Å; F719-R722 PolarHBondContact O-N 3.39Å; K720-R722 PolarHBondContact O-N 2.91Å; R722-S724 PolarHBondContact O-N 3.1Å; R722-L725 WeakPolarHBondContact O-CG 3.46Å; R722-L725 PolarHBondContact O-N 2.87Å
723F94.6Very high87.3Confident2 Ų236.5 Ų36.51%0.00921%0.208CC..G310 helixtrans-69-12.7178.3-69-95.8000113.3A600 L601 C604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.07Å; A600-F723 WeakPolarHBondContact O-CB 3.43Å; L601-F723 HydrophobicContact CB-CD2 4.14Å; L601-F723 HydrophobicContact CB-CG 4.27Å; L601-F723 HydrophobicContact CD1-CD1 3.82Å; L601-F723 HydrophobicContact CD1-CD2 3.98Å; L601-F723 HydrophobicContact CD1-CE1 3.64Å; L601-F723 HydrophobicContact CD1-CE2 3.82Å; L601-F723 HydrophobicContact CD1-CG 3.99Å; L601-F723 HydrophobicContact CD1-CZ 3.66Å; C604-F723 HydrophobicContact CB-CD1 4.07Å; L611-F723 HydrophobicContact CD1-CE1 4.4Å; L611-F723 HydrophobicContact CD1-CZ 4.16Å; H709-F723 AromaticContact CE1-CE2 3.4Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.48Å; H709-F723 AromaticContact CE1-CZ 3.64Å; H709-F723 AromaticContact NE2-CE2 3.94Å; H709-F723 AromaticContact NE2-CZ 3.71Å; F719-F723 HydrophobicContact CD1-CE2 4.29Å; F719-F723 AromaticContact CE1-CE2 3.76Å; F719-F723 HydrophobicContact CE1-CE2 3.76Å; F719-F723 HydrophobicContact CE1-CZ 4.36Å; F719-F723 HydrophobicContact CZ-CE2 4.04Å; F719-F723 HydrophobicContact CZ-CZ 4.39Å; K720-F723 WeakPolarHBondContact O-CB 3.27Å; K720-F723 WeakPolarHBondContact O-CD2 3.41Å; K720-F723 PolarHBondContact O-N 2.87Å; K720-F723 VanDerWaalsContact O-N 3.12Å; N721-F723 PolarHBondContact O-N 2.98Å; F723-L725 PolarHBondContact O-N 2.91Å; F723-L725 VanDerWaalsContact O-N 3.14Å; F723-F726 HydrophobicContact CD1-CD2 4.23Å; F723-F726 HydrophobicContact CD1-CE2 4.19Å; F723-F726 PolarHBondContact O-N 2.98Å; F723-S741 WeakPolarHBondContact CE1-OG 3.23Å; F723-S741 WeakPolarHBondContact CZ-OG 3.38Å
724S93.4Very high85.4Confident20 Ų2041.6 Ų41.614%0.1424%0.239CC..G310 helixtrans-62.3-20.6175.165.10000113A600 N721 R722 F726 Y727A600-S724 VanDerWaalsContact CB-N 3.35Å; N721-S724 VanDerWaalsContact O-CB 3.26Å; N721-S724 WeakPolarHBondContact O-CB 3.38Å; N721-S724 PolarHBondContact O-N 2.69Å; N721-S724 PolarHBondContact O-OG 3.01Å; R722-S724 PolarHBondContact O-N 3.1Å; S724-F726 PolarHBondContact O-N 3.11Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 PolarHBondContact O-N 3.22Å
725L92.7Very high83.6Confident9 Ų942.9 Ų42.95%0.04724%0.242CC..G310 helixtrans-61.3-26.6173.8-60.2174.5000112.6V642 V644 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.49Å; V642-L725 HydrophobicContact CG1-CD1 3.91Å; V644-L725 HydrophobicContact CG2-CD1 4.48Å; V696-L725 HydrophobicContact CG1-CG 4.43Å; L699-L725 HydrophobicContact CB-CD2 4.06Å; L699-L725 HydrophobicContact CD2-CD2 3.88Å; L699-L725 HydrophobicContact CG-CD2 4.36Å; I704-L725 HydrophobicContact CD1-CB 3.58Å; I704-L725 HydrophobicContact CD1-CD1 4.5Å; I704-L725 HydrophobicContact CG1-CB 4.33Å; L707-L725 HydrophobicContact CD1-CD1 3.72Å; R722-L725 WeakPolarHBondContact O-CG 3.46Å; R722-L725 PolarHBondContact O-N 2.87Å; F723-L725 PolarHBondContact O-N 2.91Å; F723-L725 VanDerWaalsContact O-N 3.14Å; L725-Y727 VanDerWaalsContact C-N 3.31Å; L725-Y727 PolarHBondContact O-N 3.34Å
726F91.5Very high81.8Confident0 Ų049.5 Ų49.50%026%0.262CS..G310 helixtrans-77.8-7.7174.3-67.9-66.1000114.3V609 I704 L707 F723 S724 A728 N729 L730V609-F726 HydrophobicContact CG1-CD2 4.02Å; V609-F726 HydrophobicContact CG1-CE1 4.25Å; V609-F726 HydrophobicContact CG1-CE2 3.71Å; V609-F726 HydrophobicContact CG1-CG 4.4Å; V609-F726 HydrophobicContact CG1-CZ 3.83Å; V609-F726 HydrophobicContact CG2-CB 4.33Å; V609-F726 HydrophobicContact CG2-CD1 4.36Å; V609-F726 HydrophobicContact CG2-CD2 4.37Å; V609-F726 HydrophobicContact CG2-CG 4.13Å; I704-F726 HydrophobicContact CD1-CD1 4.35Å; I704-F726 HydrophobicContact CD1-CE1 4.21Å; I704-F726 HydrophobicContact CG1-CD1 4.14Å; I704-F726 HydrophobicContact CG1-CE1 4.26Å; I704-F726 VanDerWaalsContact O-CE1 3.3Å; I704-F726 WeakPolarHBondContact O-CE1 3.36Å; L707-F726 HydrophobicContact CB-CE1 4.37Å; L707-F726 HydrophobicContact CB-CE2 3.68Å; L707-F726 HydrophobicContact CB-CZ 3.43Å; L707-F726 VanDerWaalsContact CB-CZ 3.43Å; L707-F726 HydrophobicContact CD2-CD2 4.27Å; L707-F726 HydrophobicContact CD2-CE2 3.63Å; L707-F726 HydrophobicContact CD2-CZ 4.29Å; L707-F726 HydrophobicContact CG-CE2 4.31Å; F723-F726 HydrophobicContact CD1-CD2 4.23Å; F723-F726 HydrophobicContact CD1-CE2 4.19Å; F723-F726 PolarHBondContact O-N 2.98Å; S724-F726 PolarHBondContact O-N 3.11Å; F726-A728 PolarHBondContact O-N 2.95Å; F726-N729 WeakPolarHBondContact O-CB 3.3Å; F726-N729 PolarHBondContact O-N 3.29Å; F726-L730 WeakPolarHBondContact O-CG 3.37Å; F726-L730 PolarHBondContact O-N 3.11Å
727Y90.1Very high80.1Confident10 Ų1050.7 Ų50.74%0.03928%0.276CS..G310 helixtrans-57.9-25.9-177.5-74.6-2000114.1N353 G356 L358 A600 A603 S724 L725 L730N353-Y727 HydrophobicContact CB-CD2 4.05Å; N353-Y727 HydrophobicContact CB-CG 4.37Å; G356-Y727 WeakPolarHBondContact O-CE2 3.46Å; G356-Y727 PolarHBondContact O-OH 2.82Å; L358-Y727 HydrophobicContact CB-CD1 4.06Å; L358-Y727 HydrophobicContact CB-CE1 3.8Å; L358-Y727 HydrophobicContact CB-CE2 4.31Å; L358-Y727 HydrophobicContact CB-CG 4.41Å; L358-Y727 HydrophobicContact CD1-CD1 4.12Å; L358-Y727 HydrophobicContact CD1-CG 4.1Å; A600-Y727 WeakPolarHBondContact CA-OH 3.45Å; A600-Y727 HydrophobicContact CB-CE1 3.66Å; A600-Y727 WeakPolarHBondContact CB-OH 3.23Å; A603-Y727 HydrophobicContact CB-CE1 3.93Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 PolarHBondContact O-N 3.22Å; L725-Y727 VanDerWaalsContact C-N 3.31Å; L725-Y727 PolarHBondContact O-N 3.34Å; Y727-L730 HydrophobicContact CD1-CD1 4.23Å
728A86.7Confident79.3Confident22 Ų2249 Ų4918%0.18226%0.259CS..G310 helixtrans-74.2-34.1174.500000112.6G702 K703 F726 L730 K731G702-A728 WeakPolarHBondContact O-CB 3.18Å; K703-A728 WeakPolarHBondContact CE-O 3.08Å; K703-A728 HydrophobicContact CG-CB 4.28Å; F726-A728 PolarHBondContact O-N 2.95Å; A728-L730 VanDerWaalsContact C-N 3.33Å; A728-K731 PolarHBondContact O-N 2.71Å
729N85.6Confident79Confident13 Ų1345.9 Ų45.97%0.0725%0.249CC..G310 helixtrans-66.3-40.6177.5-51.135.6000110K703 I704 F726 K731 S732 V738K703-N729 VanDerWaalsContact CA-OD1 3.25Å; K703-N729 WeakPolarHBondContact CA-OD1 3.21Å; I704-N729 PolarHBondContact N-ND2 3.27Å; I704-N729 PolarHBondContact N-OD1 2.89Å; I704-N729 PolarHBondContact O-ND2 2.98Å; F726-N729 WeakPolarHBondContact O-CB 3.3Å; F726-N729 PolarHBondContact O-N 3.29Å; N729-K731 PolarHBondContact O-N 3.23Å; N729-S732 PolarHBondContact O-N 2.77Å; N729-V738 HydrophobicContact CB-CG1 3.32Å; N729-V738 WeakPolarHBondContact CB-O 3.38Å; N729-V738 PolarHBondContact ND2-O 3.36Å
730L82.9Confident78.7Confident21 Ų2146.9 Ų46.911%0.1125%0.254CS..G310 helixtrans-65.9-0.9179.4-59.8170.1000114.8T351 L358 F726 Y727 A728 V738T351-L730 PolarHBondContact OG1-O 3.12Å; L358-L730 HydrophobicContact CD1-CB 4.16Å; L358-L730 HydrophobicContact CD1-CD1 4.41Å; L358-L730 HydrophobicContact CD2-CB 4.16Å; L358-L730 HydrophobicContact CD2-CD1 3.58Å; L358-L730 HydrophobicContact CD2-CG 4.43Å; F726-L730 WeakPolarHBondContact O-CG 3.37Å; F726-L730 PolarHBondContact O-N 3.11Å; Y727-L730 HydrophobicContact CD1-CD1 4.23Å; A728-L730 VanDerWaalsContact C-N 3.33Å; L730-V738 HydrophobicContact CD2-CG1 3.77Å; L730-V738 HydrophobicContact CG-CG1 4.28Å
731K75.9Confident78.7Confident92 Ų9246.1 Ų46.140%0.425%0.25SS..G310 helixtrans-84.2-11.1174.5-61.7-163174-1700114.9T351 N353 A728 N729T351-K731 HydrophobicContact CG2-CG 3.96Å; N353-K731 WeakPolarHBondContact OD1-CE 3.43Å; N353-K731 PolarHBondContact OD1-NZ 3.47Å; A728-K731 PolarHBondContact O-N 2.71Å; N729-K731 PolarHBondContact O-N 3.23Å
732S62.2Low78.8Confident46 Ų4643.8 Ų43.832%0.32224%0.238SC..  trans-137.5100.9-177-470000110.7K703 N729 T734K703-S732 VanDerWaalsContact NZ-CB 3.3Å; K703-S732 PolarHBondContact NZ-OG 2.87Å; N729-S732 PolarHBondContact O-N 2.77Å; S732-T734 PolarHBondContact O-N 2.89Å
733P54.5Low78.8Confident68 Ų6843.8 Ų43.844%0.44224%0.238SC..  trans-7828.1-174.532.3-36.3000114.2P344 T735P344-P733 HydrophobicContact CB-CB 3.97Å; P344-P733 HydrophobicContact CG-CB 4.46Å; P733-T735 PolarHBondContact O-N 2.85Å
734T51.5Low78.8Confident111 Ų11143.7 Ų43.768%0.68124%0.238SC*.  trans-88.796.9-176.848.50000111.7S732S732-T734 PolarHBondContact O-N 2.89Å
735T48.4Very low78.9Confident130 Ų13042.8 Ų42.880%0.79823%0.231SC*.SBendtrans59.1102.8157.555.10000120P733P733-T735 PolarHBondContact O-N 2.85Å
736R54Low78.8Confident238 Ų23845 Ų4590%0.89824%0.24SC*.SBendtrans65.2158.3159.5-66.2-172.3178.6-179.10.5115.7
737P56Low78.8Confident76 Ų7646.9 Ų46.949%0.49425%0.252SS..  -55.4133.2-119.527.3-36.1000113.3Q610 G739Q610-P737 HydrophobicContact CG-CB 4.29Å; P737-G739 PolarHBondContact O-N 3.49Å
738V74.3Confident78.8Confident32 Ų3250.8 Ų50.819%0.19428%0.278CS..SBendtrans-62.6-22.3-171.7177.50000112.5G607 V609 N729 L730G607-V738 WeakPolarHBondContact O-CB 3.44Å; G607-V738 WeakPolarHBondContact O-CG2 3.47Å; V609-V738 HydrophobicContact CG2-CB 4.27Å; V609-V738 HydrophobicContact CG2-CG1 4.32Å; N729-V738 HydrophobicContact CB-CG1 3.32Å; N729-V738 WeakPolarHBondContact CB-O 3.38Å; N729-V738 PolarHBondContact ND2-O 3.36Å; L730-V738 HydrophobicContact CD2-CG1 3.77Å; L730-V738 HydrophobicContact CG-CG1 4.28Å
739G85.4Confident79Confident6 Ų651.8 Ų51.86%0.06228%0.28CS..  trans175.4177.6168.400000111.2V609 Q610 P705 P737V609-G739 CarbonylContact C-O 3.59Å; V609-G739 WeakPolarHBondContact CA-O 3.38Å; Q610-G739 PolarHBondContact N-O 3.13Å; P705-G739 CarbonylContact O-C 3.56Å; P705-G739 WeakPolarHBondContact O-CA 3.43Å; P737-G739 PolarHBondContact O-N 3.49Å
740Q90.4Very high79.3Confident23 Ų2352.1 Ų52.111%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-123.9129.8171.8-172.7-177.514.300110.4Q610 P705 L706 L707 V742Q610-Q740 HydrophobicContact CB-CG 4.27Å; P705-Q740 PolarHBondContact O-N 2.85Å; L706-Q740 WeakPolarHBondContact CA-O 3.25Å; L706-Q740 HydrophobicContact CD1-CB 4.49Å; L707-Q740 PolarHBondContact N-O 3.11Å; Q740-V742 HydrophobicContact CG-CG2 3.94Å
741S94.1Very high79.7Confident0 Ų055.2 Ų55.20%030%0.296CS..EExtended strand (participates in β ladder)trans-99.8129.7165.3170.70000108.9Q610 L611 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 3.42Å; L611-S741 WeakPolarHBondContact CD1-OG 3.35Å; D612-S741 PolarHBondContact N-O 2.81Å; L707-S741 CarbonylContact O-C 3.57Å; L707-S741 WeakPolarHBondContact O-CA 3.47Å; H709-S741 PolarHBondContact CD2-OG 3.42Å; H709-S741 PolarHBondContact NE2-OG 3.07Å; F723-S741 WeakPolarHBondContact CE1-OG 3.23Å; F723-S741 WeakPolarHBondContact CZ-OG 3.38Å
742V94.6Very high80.6Confident0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-121.6122.3174.8-174.10000109.1D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CB 4.5Å; D612-V742 HydrophobicContact CB-CG1 4.34Å; D612-V742 HydrophobicContact CB-CG2 4.13Å; D612-V742 CarbonylContact O-C 3.36Å; D612-V742 WeakPolarHBondContact O-CA 3.35Å; R614-V742 HydrophobicContact CG-CG1 4.22Å; L629-V742 HydrophobicContact CD1-CB 4.01Å; L629-V742 HydrophobicContact CD1-CG1 3.81Å; L629-V742 HydrophobicContact CD1-CG2 3.86Å; L706-V742 HydrophobicContact CD1-CG2 4.04Å; L707-V742 PolarHBondContact O-N 3.49Å; I708-V742 CarbonylContact C-O 3.55Å; I708-V742 WeakPolarHBondContact CA-O 3.45Å; H709-V742 PolarHBondContact N-O 2.93Å; Q740-V742 HydrophobicContact CG-CG2 3.94Å; V742-F744 HydrophobicContact CG1-CD1 4.29Å; V742-F744 HydrophobicContact CG1-CE1 3.93Å
743V95.6Very high82.1Confident0 Ų049.8 Ų49.80%027%0.268CS..EExtended strand (participates in β ladder)trans-107.1125.2-178.2-174.90000109.9L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 3.96Å; D612-V743 PolarHBondContact O-N 2.82Å; V613-V743 HydrophobicContact CG1-CB 4.44Å; V613-V743 HydrophobicContact CG2-CB 4.27Å; V613-V743 HydrophobicContact CG2-CG2 4.49Å; R614-V743 PolarHBondContact N-O 3.18Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.25Å; F712-V743 HydrophobicContact CE1-CG1 3.81Å; F712-V743 HydrophobicContact CZ-CG1 3.78Å; F719-V743 HydrophobicContact CE2-CG1 4.25Å; F719-V743 HydrophobicContact CE2-CG2 4.28Å; F719-V743 HydrophobicContact CZ-CG1 4.4Å; F719-V743 HydrophobicContact CZ-CG2 3.9Å; V743-L756 HydrophobicContact CG1-CD1 4.42Å
744F95.2Very high84.1Confident1 Ų147.9 Ų47.90%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-92.6115.5167.7-63.6-10.3000108.6R614 K622 H625 L626 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.18Å; R614-F744 WeakPolarHBondContact O-CA 3.39Å; K622-F744 HydrophobicContact CB-CD2 4.15Å; K622-F744 HydrophobicContact CB-CE2 4.38Å; K622-F744 HydrophobicContact CD-CB 4.49Å; K622-F744 HydrophobicContact CD-CD2 4.19Å; K622-F744 HydrophobicContact CG-CD2 4.04Å; H625-F744 HydrophobicContact CB-CE1 4.4Å; H625-F744 HydrophobicContact CB-CZ 4.17Å; L626-F744 HydrophobicContact CB-CE2 4.26Å; L626-F744 HydrophobicContact CB-CZ 4.34Å; I708-F744 HydrophobicContact CG2-CE2 4.39Å; I708-F744 HydrophobicContact CG2-CZ 4.32Å; H709-F744 PolarHBondContact O-N 2.99Å; Y710-F744 HydrophobicContact CD2-CD2 4.01Å; Y710-F744 HydrophobicContact CD2-CE2 4.17Å; Y710-F744 HydrophobicContact CE2-CD2 4.37Å; Y710-F744 HydrophobicContact CE2-CE2 4.43Å; V742-F744 HydrophobicContact CG1-CD1 4.29Å; V742-F744 HydrophobicContact CG1-CE1 3.93Å
745A94.1Very high86.1Confident0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-116.1136.2-178.500000110.4V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.2Å; R614-A745 PolarHBondContact O-N 3.29Å; V615-A745 CarbonylContact C-O 3.53Å; V615-A745 VanDerWaalsContact CA-O 3.25Å; V615-A745 WeakPolarHBondContact CA-O 3.38Å; V616-A745 PolarHBondContact N-O 2.68Å; F712-A745 HydrophobicContact CE2-CB 3.57Å; F712-A745 HydrophobicContact CZ-CB 3.86Å; A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.31Å
746K92.1Very high88.3Confident56 Ų5638.8 Ų38.824%0.24319%0.192CC..  trans-86.9149.7171.4-58-164.7177-165.70110.3V616 E619 T748 D749 I753V616-K746 WeakPolarHBondContact O-CA 3.43Å; E619-K746 WeakPolarHBondContact OE1-CE 3.47Å; E619-K746 IonicContact OE1-NZ 3.47Å; E619-K746 PolarHBondContact OE1-NZ 2.78Å; K746-T748 WeakPolarHBondContact CB-OG1 3.5Å; K746-T748 PolarHBondContact O-N 3.02Å; K746-D749 WeakPolarHBondContact CB-OD2 3.49Å; K746-D749 PolarHBondContact N-OD2 3.5Å; K746-D749 WeakPolarHBondContact O-CB 3.32Å; K746-D749 PolarHBondContact O-N 3.38Å; K746-I753 WeakPolarHBondContact O-CD1 3.23Å
747P91.2Very high90.2Very high39 Ų3927.4 Ų27.425%0.25315%0.149SC..THydrogen-bonded Turntrans-58.9-9.8171.2-23.533.2000114.7V615 R778V615-P747 HydrophobicContact CG1-CG 3.76Å; P747-R778 PolarHBondContact O-NE 2.96Å; P747-R778 PolarHBondContact O-NH2 3.05Å; P747-R778 VanDerWaalsContact O-NH2 3.13Å
748T90.3Very high92Very high93 Ų9325.4 Ų25.457%0.57113%0.134SC*.THydrogen-bonded Turntrans-90.6-12.6172.947.50000113.8K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.5Å; K746-T748 PolarHBondContact O-N 3.02Å; T748-V750 PolarHBondContact O-N 2.9Å
749D91Very high92.8Very high43 Ų4324.4 Ų24.423%0.2313%0.127CC..  trans-78.738.1-178.4-69.1-47000112.9F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.78Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.42Å; F712-D749 HydrophobicContact CE2-CB 3.64Å; K746-D749 WeakPolarHBondContact CB-OD2 3.49Å; K746-D749 PolarHBondContact N-OD2 3.5Å; K746-D749 WeakPolarHBondContact O-CB 3.32Å; K746-D749 PolarHBondContact O-N 3.38Å; D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.44Å; D749-E751 VanDerWaalsContact O-N 3.1Å; D749-N752 PolarHBondContact O-N 3.35Å; D749-I753 HydrophobicContact CB-CD1 4.41Å; D749-I753 HydrophobicContact CB-CG1 4.38Å; D749-I753 WeakPolarHBondContact O-CG1 3.42Å; D749-I753 PolarHBondContact O-N 3.26Å
750V91.3Very high93.1Very high20 Ų2024.8 Ų24.812%0.12113%0.127CC..Hα-helixtrans-48.1-45.8-169.5-173.60000112.5T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 2.9Å; V750-N752 VanDerWaalsContact C-N 3.35Å; V750-N752 PolarHBondContact O-N 3.32Å; V750-I753 PolarHBondContact O-N 3.28Å; V750-W754 WeakPolarHBondContact O-CB 3.47Å; V750-W754 PolarHBondContact O-N 3Å; V750-L775 HydrophobicContact CG1-CD2 3.81Å; V750-R778 HydrophobicContact CG1-CB 4.39Å; V750-R778 HydrophobicContact CG2-CB 4.1Å; V750-R778 HydrophobicContact CG2-CG 3.68Å
751E92.2Very high93Very high85 Ų8524.3 Ų24.340%0.39713%0.125SC..Hα-helixtrans-60.9-38.9179.9179.658.8-155.900113.3D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.26Å; D749-E751 PolarHBondContact O-N 3.44Å; D749-E751 VanDerWaalsContact O-N 3.1Å; E751-K755 WeakPolarHBondContact O-CD 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.41Å; E751-K755 PolarHBondContact O-N 3.23Å; E751-K755 WeakPolarHBondContact OE1-CE 3.35Å; E751-K755 IonicContact OE1-NZ 2.63Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å; E751-H806 VanDerWaalsContact CD-NE2 3.32Å; E751-H806 IonicContact OE1-CE1 3.81Å; E751-H806 IonicContact OE1-NE2 2.72Å; E751-H806 PolarHBondContact OE1-NE2 3.44Å; E751-H806 IonicContact OE2-CD2 2.89Å; E751-H806 IonicContact OE2-CE1 3.04Å; E751-H806 PolarHBondContact OE2-CE1 2.88Å; E751-H806 IonicContact OE2-NE2 2.74Å; E751-H806 PolarHBondContact OE2-NE2 2.92Å
752N93.4Very high92.6Very high24 Ų2428.3 Ų28.313%0.12814%0.142CC..Hα-helixtrans-85.6-34.4-179.7-68.6-45.6000111.7F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CD1-CB 3.66Å; F712-N752 HydrophobicContact CD2-CB 3.98Å; F712-N752 HydrophobicContact CE1-CB 3.62Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.85Å; F712-N752 HydrophobicContact CZ-CB 3.74Å; D749-N752 PolarHBondContact O-N 3.35Å; V750-N752 VanDerWaalsContact C-N 3.35Å; V750-N752 PolarHBondContact O-N 3.32Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.36Å; N752-K755 PolarHBondContact O-N 3.43Å; N752-L756 WeakPolarHBondContact O-CG 3.41Å; N752-L756 PolarHBondContact O-N 2.67Å
753I95.1Very high92.2Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-60.4-41.8170.7-68.2174.4000110.2A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CD1 4.47Å; A745-I753 HydrophobicContact CB-CG1 4.31Å; K746-I753 WeakPolarHBondContact O-CD1 3.23Å; D749-I753 HydrophobicContact CB-CD1 4.41Å; D749-I753 HydrophobicContact CB-CG1 4.38Å; D749-I753 WeakPolarHBondContact O-CG1 3.42Å; D749-I753 PolarHBondContact O-N 3.26Å; V750-I753 PolarHBondContact O-N 3.28Å; I753-K755 PolarHBondContact O-N 3.28Å; I753-L756 PolarHBondContact O-N 3.15Å; I753-C757 PolarHBondContact O-N 2.72Å; I753-C757 PolarHBondContact O-SG 3.41Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; I753-I774 HydrophobicContact CD1-CD1 4.41Å; I753-I774 HydrophobicContact CD1-CG2 4.14Å; I753-L775 HydrophobicContact CB-CD2 4.26Å; I753-L775 HydrophobicContact CG2-CD1 4.39Å; I753-L775 HydrophobicContact CG2-CD2 3.91Å; I753-L775 HydrophobicContact CG2-CG 4Å
754W95Very high91.6Very high29 Ų2934.2 Ų34.211%0.1117%0.168CC..Hα-helixtrans-60.8-46.7176.1-167.996000111.5V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.47Å; V750-W754 PolarHBondContact O-N 3Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-W754 PolarHBondContact O-N 3.36Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 2.69Å; W754-C757 PolarHBondContact O-N 3.34Å; W754-D758 HydrophobicContact CE3-CB 4.11Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.79Å; W754-D758 WeakPolarHBondContact O-CB 3.41Å; W754-D758 PolarHBondContact O-N 3.22Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.94Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; W754-L804 PolarHBondContact NE1-O 2.91Å; W754-H806 HydrophobicContact CD2-CB 4.09Å; W754-H806 AromaticContact CD2-CD2 3.59Å; W754-H806 AromaticContact CE3-CD2 3.73Å; W754-H806 AromaticContact CG-CD2 3.85Å; W754-H806 HydrophobicContact CH2-CB 4.21Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 HydrophobicContact CG-CD1 4.2Å; W754-L960 HydrophobicContact CH2-CD1 4.47Å; W754-L960 HydrophobicContact CZ2-CB 3.93Å; W754-L960 HydrophobicContact CZ2-CD1 3.82Å; W754-L960 HydrophobicContact CZ2-CG 4.47Å
755K94.4Very high91.1Very high48 Ų4835 Ų3521%0.20917%0.172CC..Hα-helixtrans-62.6-36.4176.5-73.3162.3174.9149.10113.1W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 4.04Å; W716-K755 HydrophobicContact CD2-CB 4.08Å; W716-K755 HydrophobicContact CD2-CD 3.91Å; W716-K755 HydrophobicContact CD2-CG 4.41Å; W716-K755 HydrophobicContact CE3-CB 3.98Å; W716-K755 HydrophobicContact CE3-CD 4.02Å; W716-K755 HydrophobicContact CG-CD 3.91Å; W716-K755 HydrophobicContact CH2-CB 4.02Å; W716-K755 HydrophobicContact CZ2-CB 4.09Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; E751-K755 WeakPolarHBondContact O-CD 3.43Å; E751-K755 WeakPolarHBondContact O-CG 3.41Å; E751-K755 PolarHBondContact O-N 3.23Å; E751-K755 WeakPolarHBondContact OE1-CE 3.35Å; E751-K755 IonicContact OE1-NZ 2.63Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å; N752-K755 PolarHBondContact O-N 3.43Å; I753-K755 PolarHBondContact O-N 3.28Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.49Å; K755-F759 PolarHBondContact O-N 3.44Å
756L94.6Very high90.7Very high1 Ų138.7 Ų38.71%0.00520%0.196CC..Hα-helixtrans-66.8-46.5172.1-76.2169.8000111.4L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.49Å; V613-L756 HydrophobicContact CG1-CD1 4.16Å; V613-L756 HydrophobicContact CG2-CD1 4.15Å; F712-L756 HydrophobicContact CE1-CD1 3.8Å; F712-L756 HydrophobicContact CZ-CD1 3.65Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.32Å; W716-L756 HydrophobicContact CZ3-CD2 4.45Å; W716-L756 HydrophobicContact CZ3-CG 4.42Å; F719-L756 HydrophobicContact CE1-CD2 4.25Å; F719-L756 HydrophobicContact CZ-CD2 4.33Å; V743-L756 HydrophobicContact CG1-CD1 4.42Å; N752-L756 WeakPolarHBondContact O-CG 3.41Å; N752-L756 PolarHBondContact O-N 2.67Å; I753-L756 PolarHBondContact O-N 3.15Å; W754-L756 VanDerWaalsContact C-N 3.34Å; W754-L756 PolarHBondContact O-N 2.69Å; L756-D758 VanDerWaalsContact C-N 3.33Å; L756-D758 PolarHBondContact O-N 2.66Å; L756-F759 WeakPolarHBondContact O-CB 3.43Å; L756-F759 PolarHBondContact O-N 3.41Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.47Å; L756-Y760 PolarHBondContact O-N 3.23Å
757C94.5Very high90.5Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-60.6-43.1177.5-66.40000111.8I753 W754 F759 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 2.72Å; I753-C757 PolarHBondContact O-SG 3.41Å; W754-C757 PolarHBondContact O-N 3.34Å; C757-F759 VanDerWaalsContact C-N 3.34Å; C757-F759 PolarHBondContact O-N 2.96Å; C757-Y760 PolarHBondContact O-N 3.09Å; C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.31Å; C757-M761 PolarHBondContact O-N 2.77Å; C757-P768 HydrophobicContact CB-CG 4.45Å; C757-L771 WeakPolarHBondContact SG-CB 3.42Å; C757-L772 HydrophobicContact CB-CD2 3.84Å; C757-L775 HydrophobicContact CB-CD1 4.14Å; C757-L960 HydrophobicContact CB-CD1 3.84Å; C757-L960 HydrophobicContact CB-CD2 4.22Å
758D92.4Very high90.5Very high33 Ų3336.9 Ų36.918%0.17618%0.184CC..Hα-helixtrans-59.7-44.5175.317557.5000111.4W754 L756 K762 L960W754-D758 HydrophobicContact CE3-CB 4.11Å; W754-D758 HydrophobicContact CH2-CB 4.17Å; W754-D758 HydrophobicContact CZ3-CB 3.79Å; W754-D758 WeakPolarHBondContact O-CB 3.41Å; W754-D758 PolarHBondContact O-N 3.22Å; L756-D758 VanDerWaalsContact C-N 3.33Å; L756-D758 PolarHBondContact O-N 2.66Å; D758-K762 WeakPolarHBondContact O-CB 3.48Å; D758-K762 WeakPolarHBondContact O-CD 3.5Å; D758-K762 VanDerWaalsContact O-CG 3.29Å; D758-K762 WeakPolarHBondContact O-CG 3.5Å; D758-K762 PolarHBondContact O-N 3.42Å; D758-K762 WeakPolarHBondContact OD1-CE 3.31Å; D758-K762 IonicContact OD1-NZ 2.82Å; D758-K762 PolarHBondContact OD1-NZ 2.86Å; D758-K762 IonicContact OD2-NZ 3.82Å; D758-K762 PolarHBondContact OD2-NZ 2.92Å; D758-L960 HydrophobicContact CB-CD1 3.89Å
759F92.3Very high90.4Very high11 Ų1134.6 Ų34.65%0.04818%0.178CC..Hα-helixtrans-61.7-48174.5179.2-93.6000112.5L601 E602 V605 L611 K755 L756 C757 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.08Å; L601-F759 HydrophobicContact CD1-CE2 4.13Å; L601-F759 HydrophobicContact CD1-CZ 3.59Å; L601-F759 HydrophobicContact CD2-CD1 4.49Å; L601-F759 HydrophobicContact CD2-CD2 3.72Å; L601-F759 HydrophobicContact CD2-CE1 4.24Å; L601-F759 HydrophobicContact CD2-CE2 3.41Å; L601-F759 VanDerWaalsContact CD2-CE2 3.41Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.7Å; L601-F759 HydrophobicContact CG-CD2 4.25Å; L601-F759 HydrophobicContact CG-CE1 4.26Å; L601-F759 HydrophobicContact CG-CE2 3.42Å; L601-F759 VanDerWaalsContact CG-CE2 3.42Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.24Å; V605-F759 HydrophobicContact CG2-CE1 4.29Å; V605-F759 HydrophobicContact CG2-CE2 4.27Å; V605-F759 HydrophobicContact CG2-CZ 3.49Å; V605-F759 VanDerWaalsContact CG2-CZ 3.49Å; L611-F759 HydrophobicContact CD2-CD1 4.29Å; L611-F759 HydrophobicContact CD2-CE1 4.03Å; K755-F759 VanDerWaalsContact O-CB 3.28Å; K755-F759 WeakPolarHBondContact O-CB 3.49Å; K755-F759 PolarHBondContact O-N 3.44Å; L756-F759 WeakPolarHBondContact O-CB 3.43Å; L756-F759 PolarHBondContact O-N 3.41Å; C757-F759 VanDerWaalsContact C-N 3.34Å; C757-F759 PolarHBondContact O-N 2.96Å; F759-M761 PolarHBondContact O-N 3.1Å; F759-K762 PolarHBondContact O-N 2.99Å; F759-H763 AromaticContact CD2-CD2 3.47Å; F759-H763 VanDerWaalsContact CD2-CD2 3.47Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.34Å; F759-H763 AromaticContact CD2-NE2 3.73Å; F759-H763 AromaticContact CE1-CD2 3.88Å; F759-H763 AromaticContact CE2-CD2 3.21Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.49Å; F759-H763 AromaticContact CE2-NE2 3.2Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.48Å; F759-H763 AromaticContact CG-CD2 3.91Å; F759-H763 AromaticContact CZ-CD2 3.44Å; F759-H763 VanDerWaalsContact CZ-CD2 3.44Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.3Å; F759-H763 AromaticContact CZ-NE2 3.7Å; F759-H763 WeakPolarHBondContact O-CB 3.47Å; F759-H763 PolarHBondContact O-CD2 3.33Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 3.17Å; F759-H763 VanDerWaalsContact O-N 3.08Å; F759-L765 HydrophobicContact CE1-CD1 4.32Å
760Y91.4Very high90.4Very high14 Ų1436.3 Ų36.36%0.05519%0.185CC..Hα-helixtrans-57.1-48.9177.2-91.8-115.7000111.6A338 L611 V613 L756 C757 H763 K764 L765 P766 P768A338-Y760 HydrophobicContact CB-CE1 4.19Å; L611-Y760 HydrophobicContact CD2-CD2 4.41Å; L611-Y760 HydrophobicContact CD2-CE2 3.57Å; L611-Y760 HydrophobicContact CG-CE2 4.12Å; L611-Y760 PolarHBondContact O-OH 2.78Å; V613-Y760 HydrophobicContact CG2-CE2 4.21Å; L756-Y760 VanDerWaalsContact O-CD2 3.25Å; L756-Y760 WeakPolarHBondContact O-CD2 3.47Å; L756-Y760 PolarHBondContact O-N 3.23Å; C757-Y760 PolarHBondContact O-N 3.09Å; Y760-H763 PolarHBondContact O-N 2.89Å; Y760-K764 PolarHBondContact O-N 3.28Å; Y760-L765 HydrophobicContact CD1-CB 3.43Å; Y760-L765 VanDerWaalsContact CD1-CB 3.43Å; Y760-L765 HydrophobicContact CD1-CD1 3.95Å; Y760-L765 HydrophobicContact CD1-CG 4.32Å; Y760-L765 HydrophobicContact CD2-CD1 4.09Å; Y760-L765 HydrophobicContact CE1-CB 4.07Å; Y760-L765 HydrophobicContact CE1-CD1 4.14Å; Y760-L765 HydrophobicContact CE2-CD1 4.3Å; Y760-L765 HydrophobicContact CG-CB 3.87Å; Y760-L765 HydrophobicContact CG-CD1 3.93Å; Y760-L765 HydrophobicContact CG-CG 4.46Å; Y760-L765 PolarHBondContact O-N 2.95Å; Y760-P766 WeakPolarHBondContact CD1-O 3.21Å; Y760-P768 HydrophobicContact CD1-CB 4.32Å; Y760-P768 HydrophobicContact CD1-CG 4.21Å; Y760-P768 HydrophobicContact CG-CG 4.22Å
761M87.8Confident90.6Very high13 Ų1335.6 Ų35.66%0.06418%0.18CC..Hα-helixtrans-63.1-42.8179.3-66.7-59.7-53.900112.1C757 F759 H763 K764 R767 E958 L960C757-M761 VanDerWaalsContact O-CG 3.31Å; C757-M761 WeakPolarHBondContact O-CG 3.31Å; C757-M761 PolarHBondContact O-N 2.77Å; F759-M761 PolarHBondContact O-N 3.1Å; M761-H763 VanDerWaalsContact C-N 3.29Å; M761-H763 PolarHBondContact O-N 2.88Å; M761-K764 PolarHBondContact O-N 2.9Å; M761-R767 HydrophobicContact SD-CB 4.35Å; M761-R767 HydrophobicContact SD-CG 3.99Å; M761-R767 PolarHBondContact SD-NH1 2.98Å; M761-R767 VanDerWaalsContact SD-NH1 3.43Å; M761-E958 HydrophobicContact CE-CB 3.78Å; M761-E958 HydrophobicContact CE-CG 4.1Å; M761-L960 HydrophobicContact CG-CD2 4.13Å
762K86.4Confident90.7Very high85 Ų8532 Ų3237%0.3716%0.164SC..Hα-helixtrans-62.4-35.4178.2-78.8165.3174.4165.70113.1I576 D758 F759I576-K762 HydrophobicContact CD1-CB 4.48Å; I576-K762 HydrophobicContact CD1-CD 3.9Å; I576-K762 HydrophobicContact CD1-CG 4.34Å; D758-K762 WeakPolarHBondContact O-CB 3.48Å; D758-K762 WeakPolarHBondContact O-CD 3.5Å; D758-K762 VanDerWaalsContact O-CG 3.29Å; D758-K762 WeakPolarHBondContact O-CG 3.5Å; D758-K762 PolarHBondContact O-N 3.42Å; D758-K762 WeakPolarHBondContact OD1-CE 3.31Å; D758-K762 IonicContact OD1-NZ 2.82Å; D758-K762 PolarHBondContact OD1-NZ 2.86Å; D758-K762 IonicContact OD2-NZ 3.82Å; D758-K762 PolarHBondContact OD2-NZ 2.92Å; F759-K762 PolarHBondContact O-N 2.99Å
763H86.5Confident90.6Very high22 Ų2232.5 Ų32.510%0.10217%0.174CC..THydrogen-bonded Turntrans-92.16.3-177.9-77-65.8000115I576 W577 E602 F759 Y760 M761 L765I576-H763 WeakPolarHBondContact CG2-CE1 3.45Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.46Å; W577-H763 PolarHBondContact O-CE1 3.29Å; W577-H763 VanDerWaalsContact O-CE1 3.3Å; W577-H763 PolarHBondContact O-ND1 3.13Å; E602-H763 IonicContact OE1-CE1 2.63Å; E602-H763 IonicContact OE1-NE2 2.69Å; E602-H763 PolarHBondContact OE1-NE2 3.44Å; E602-H763 IonicContact OE2-CE1 3.42Å; E602-H763 PolarHBondContact OE2-CE1 2.78Å; E602-H763 IonicContact OE2-NE2 3.15Å; E602-H763 PolarHBondContact OE2-NE2 2.66Å; E602-H763 VanDerWaalsContact OE2-NE2 3.11Å; F759-H763 AromaticContact CD2-CD2 3.47Å; F759-H763 VanDerWaalsContact CD2-CD2 3.47Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.34Å; F759-H763 AromaticContact CD2-NE2 3.73Å; F759-H763 AromaticContact CE1-CD2 3.88Å; F759-H763 AromaticContact CE2-CD2 3.21Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.49Å; F759-H763 AromaticContact CE2-NE2 3.2Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.48Å; F759-H763 AromaticContact CG-CD2 3.91Å; F759-H763 AromaticContact CZ-CD2 3.44Å; F759-H763 VanDerWaalsContact CZ-CD2 3.44Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.3Å; F759-H763 AromaticContact CZ-NE2 3.7Å; F759-H763 WeakPolarHBondContact O-CB 3.47Å; F759-H763 PolarHBondContact O-CD2 3.33Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 3.17Å; F759-H763 VanDerWaalsContact O-N 3.08Å; Y760-H763 PolarHBondContact O-N 2.89Å; M761-H763 VanDerWaalsContact C-N 3.29Å; M761-H763 PolarHBondContact O-N 2.88Å; H763-L765 HydrophobicContact CB-CG 4.01Å; H763-L765 PolarHBondContact O-N 3.06Å
764K82.2Confident90.6Very high102 Ų10233.5 Ų33.544%0.44318%0.179SC..THydrogen-bonded Turntrans5433.4-173.9-59.6-178.1167.4-173.50113.5D580 Y760 M761 R1022D580-K764 WeakPolarHBondContact OD2-CE 3.42Å; D580-K764 IonicContact OD2-NZ 3.7Å; D580-K764 PolarHBondContact OD2-NZ 3.32Å; Y760-K764 PolarHBondContact O-N 3.28Å; M761-K764 PolarHBondContact O-N 2.9Å; K764-R1022 VanDerWaalsContact CE-CZ 3.46Å
765L84.6Confident90.5Very high16 Ų1632.1 Ų32.18%0.08417%0.174CC..  trans-72.4158.9170.7-59.1-172.7000109.9A338 L340 F759 Y760 H763 R767A338-L765 HydrophobicContact CB-CD2 4.49Å; L340-L765 HydrophobicContact CD1-CD1 4.37Å; L340-L765 HydrophobicContact CD1-CD2 4.37Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CG-CD2 3.73Å; F759-L765 HydrophobicContact CE1-CD1 4.32Å; Y760-L765 HydrophobicContact CD1-CB 3.43Å; Y760-L765 VanDerWaalsContact CD1-CB 3.43Å; Y760-L765 HydrophobicContact CD1-CD1 3.95Å; Y760-L765 HydrophobicContact CD1-CG 4.32Å; Y760-L765 HydrophobicContact CD2-CD1 4.09Å; Y760-L765 HydrophobicContact CE1-CB 4.07Å; Y760-L765 HydrophobicContact CE1-CD1 4.14Å; Y760-L765 HydrophobicContact CE2-CD1 4.3Å; Y760-L765 HydrophobicContact CG-CB 3.87Å; Y760-L765 HydrophobicContact CG-CD1 3.93Å; Y760-L765 HydrophobicContact CG-CG 4.46Å; Y760-L765 PolarHBondContact O-N 2.95Å; H763-L765 HydrophobicContact CB-CG 4.01Å; H763-L765 PolarHBondContact O-N 3.06Å; L765-R767 PolarHBondContact O-N 3.34Å
766P86Confident90.4Very high79 Ų7931 Ų3151%0.51317%0.172SC..  trans-48.4125.6174-2835.8000111A338 Y760 P768A338-P766 HydrophobicContact CB-CG 4.27Å; Y760-P766 WeakPolarHBondContact CD1-O 3.21Å; P766-P768 WeakPolarHBondContact O-CD 3.33Å; P766-P768 VanDerWaalsContact O-N 3.13Å
767R87.6Confident90.3Very high52 Ų5235.5 Ų35.520%0.19619%0.193CC..  trans-58.7115.7-175178.6175.6176.281.9-4.4109.5M761 L765 G769 L772 H1024M761-R767 HydrophobicContact SD-CB 4.35Å; M761-R767 HydrophobicContact SD-CG 3.99Å; M761-R767 PolarHBondContact SD-NH1 2.98Å; M761-R767 VanDerWaalsContact SD-NH1 3.43Å; L765-R767 PolarHBondContact O-N 3.34Å; R767-G769 VanDerWaalsContact C-N 3.34Å; R767-G769 PolarHBondContact O-N 2.86Å; R767-L772 HydrophobicContact CG-CD1 3.77Å; R767-L772 VanDerWaalsContact CZ-CD1 3.44Å; R767-H1024 WeakPolarHBondContact CD-NE2 3.18Å; R767-H1024 PolarHBondContact NE-CD2 3.07Å; R767-H1024 PolarHBondContact NE-NE2 3.08Å
768P90.6Very high90Very high5 Ų538.7 Ų38.73%0.03221%0.205CC..  trans-80.480.5-167.831.9-36000111C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.45Å; Y760-P768 HydrophobicContact CD1-CB 4.32Å; Y760-P768 HydrophobicContact CD1-CG 4.21Å; Y760-P768 HydrophobicContact CG-CG 4.22Å; P766-P768 WeakPolarHBondContact O-CD 3.33Å; P766-P768 VanDerWaalsContact O-N 3.13Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 3.42Å; P768-L771 HydrophobicContact CB-CB 4.09Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.06Å; P768-L771 HydrophobicContact CG-CB 4.41Å; P768-L771 HydrophobicContact CG-CD1 4.37Å; P768-L771 PolarHBondContact O-N 3.26Å; P768-L771 VanDerWaalsContact O-N 3.13Å; P768-L772 WeakPolarHBondContact O-CG 3.45Å; P768-L772 PolarHBondContact O-N 3.28Å
769G90Very high89.8Confident44 Ų4438.1 Ų38.145%0.45420%0.201SC..Hα-helixtrans-56.4-41-169.500000113.4R767 L772 G773R767-G769 VanDerWaalsContact C-N 3.34Å; R767-G769 PolarHBondContact O-N 2.86Å; G769-L772 PolarHBondContact O-N 3.32Å; G769-G773 PolarHBondContact O-N 2.93Å
770H90.6Very high89.5Confident80 Ų8040.5 Ų40.537%0.3721%0.213SC..Hα-helixtrans-64.3-44.8178-176.2-122.5000112.5D335 P768 L772 G773 I774D335-H770 WeakPolarHBondContact OD2-CB 3.41Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 3.42Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 2.84Å; H770-G773 PolarHBondContact O-N 3.45Å; H770-I774 PolarHBondContact O-N 2.9Å
771L94.5Very high89.2Confident5 Ų543 Ų433%0.02623%0.226CC..Hα-helixtrans-64.5-39.5178.3-60.4-173.1000112V613 V615 I753 C757 P768 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.27Å; V613-L771 HydrophobicContact CG1-CD1 3.98Å; V613-L771 HydrophobicContact CG1-CD2 4.12Å; V615-L771 HydrophobicContact CG2-CD2 3.36Å; I753-L771 HydrophobicContact CG2-CB 3.93Å; I753-L771 HydrophobicContact CG2-CD2 4.29Å; C757-L771 WeakPolarHBondContact SG-CB 3.42Å; P768-L771 HydrophobicContact CB-CB 4.09Å; P768-L771 HydrophobicContact CB-CD1 3.91Å; P768-L771 HydrophobicContact CB-CG 4.06Å; P768-L771 HydrophobicContact CG-CB 4.41Å; P768-L771 HydrophobicContact CG-CD1 4.37Å; P768-L771 PolarHBondContact O-N 3.26Å; P768-L771 VanDerWaalsContact O-N 3.13Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 3.19Å; L771-I774 HydrophobicContact CD2-CD1 4.46Å; L771-I774 PolarHBondContact O-N 2.87Å; L771-L775 WeakPolarHBondContact O-CG 3.37Å; L771-L775 PolarHBondContact O-N 3.14Å
772L93.9Very high88.9Confident10 Ų1046.2 Ų46.25%0.05224%0.24CC..Hα-helixtrans-63.9-37.6174.9-63.9178.1000111.8C757 R767 P768 G769 H770 I774 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.84Å; R767-L772 HydrophobicContact CG-CD1 3.77Å; R767-L772 VanDerWaalsContact CZ-CD1 3.44Å; P768-L772 WeakPolarHBondContact O-CG 3.45Å; P768-L772 PolarHBondContact O-N 3.28Å; G769-L772 PolarHBondContact O-N 3.32Å; H770-L772 VanDerWaalsContact C-N 3.35Å; H770-L772 PolarHBondContact O-N 2.84Å; L772-I774 PolarHBondContact O-N 2.79Å; L772-L775 HydrophobicContact CD2-CD1 4.25Å; L772-L775 PolarHBondContact O-N 2.66Å; L772-S776 PolarHBondContact O-N 3.37Å; L772-S776 PolarHBondContact O-OG 2.89Å; L772-L804 HydrophobicContact CB-CD2 4.26Å; L772-L804 HydrophobicContact CD2-CD1 4.18Å; L772-L804 HydrophobicContact CD2-CD2 4.27Å; L772-L960 HydrophobicContact CD2-CD2 3.63Å
773G93.1Very high88.4Confident34 Ų3443.5 Ų43.535%0.35123%0.229SC..Hα-helixtrans-57.8-44.8173.600000112.9G769 H770 L771 L775 S776 Q777G769-G773 PolarHBondContact O-N 2.93Å; H770-G773 PolarHBondContact O-N 3.45Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-G773 PolarHBondContact O-N 3.19Å; G773-L775 VanDerWaalsContact C-N 3.34Å; G773-L775 PolarHBondContact O-N 3.34Å; G773-S776 WeakPolarHBondContact CA-OG 3.34Å; G773-S776 PolarHBondContact O-N 3.07Å; G773-S776 PolarHBondContact O-OG 3Å; G773-Q777 VanDerWaalsContact O-CB 3.32Å; G773-Q777 WeakPolarHBondContact O-CB 3.05Å; G773-Q777 PolarHBondContact O-N 3.4Å
774I93.6Very high87.7Confident20 Ų2048.8 Ų48.810%0.10325%0.254CS..Hα-helixtrans-60-44.3175.4-63.2166.7000110.9V615 I753 H770 L771 L772 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.3Å; V615-I774 HydrophobicContact CG1-CD1 3.71Å; V615-I774 HydrophobicContact CG2-CD1 3.71Å; I753-I774 HydrophobicContact CD1-CD1 4.41Å; I753-I774 HydrophobicContact CD1-CG2 4.14Å; H770-I774 PolarHBondContact O-N 2.9Å; L771-I774 HydrophobicContact CD2-CD1 4.46Å; L771-I774 PolarHBondContact O-N 2.87Å; L772-I774 PolarHBondContact O-N 2.79Å; I774-Q777 PolarHBondContact O-N 3.33Å; I774-R778 HydrophobicContact CG2-CG 4.37Å; I774-R778 WeakPolarHBondContact O-CB 3.48Å; I774-R778 VanDerWaalsContact O-CG 3.24Å; I774-R778 WeakPolarHBondContact O-CG 3.28Å; I774-R778 PolarHBondContact O-N 3Å
775L93.7Very high87.2Confident1 Ų150.8 Ų50.81%0.00527%0.269CS..Hα-helixtrans-62.4-45.8178-63.3174.6000111.7V750 I753 W754 C757 L771 L772 G773 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.81Å; I753-L775 HydrophobicContact CB-CD2 4.26Å; I753-L775 HydrophobicContact CG2-CD1 4.39Å; I753-L775 HydrophobicContact CG2-CD2 3.91Å; I753-L775 HydrophobicContact CG2-CG 4Å; W754-L775 HydrophobicContact CB-CD1 4.28Å; W754-L775 HydrophobicContact CB-CD2 3.94Å; W754-L775 HydrophobicContact CG-CD1 4.42Å; C757-L775 HydrophobicContact CB-CD1 4.14Å; L771-L775 WeakPolarHBondContact O-CG 3.37Å; L771-L775 PolarHBondContact O-N 3.14Å; L772-L775 HydrophobicContact CD2-CD1 4.25Å; L772-L775 PolarHBondContact O-N 2.66Å; G773-L775 VanDerWaalsContact C-N 3.34Å; G773-L775 PolarHBondContact O-N 3.34Å; L775-R779 WeakPolarHBondContact O-CG 3.49Å; L775-R779 PolarHBondContact O-N 3.46Å; L775-L804 HydrophobicContact CB-CD2 4.3Å
776S92.7Very high86.3Confident23 Ų2356 Ų5616%0.16129%0.292CS..Hα-helixtrans-65.5-40.5178.449.10000113L772 G773 R779 L780L772-S776 PolarHBondContact O-N 3.37Å; L772-S776 PolarHBondContact O-OG 2.89Å; G773-S776 WeakPolarHBondContact CA-OG 3.34Å; G773-S776 PolarHBondContact O-N 3.07Å; G773-S776 PolarHBondContact O-OG 3Å; S776-R779 PolarHBondContact O-N 3.38Å; S776-L780 PolarHBondContact O-N 3.14Å
777Q91Very high85.2Confident97 Ų9760.5 Ų60.545%0.45331%0.306SS..Hα-helixtrans-65.4-45.5179.5176.957.526.400111.1G773 I774 R779 L780 E781G773-Q777 VanDerWaalsContact O-CB 3.32Å; G773-Q777 WeakPolarHBondContact O-CB 3.05Å; G773-Q777 PolarHBondContact O-N 3.4Å; I774-Q777 PolarHBondContact O-N 3.33Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.19Å; Q777-L780 WeakPolarHBondContact O-CB 3.42Å; Q777-L780 PolarHBondContact O-N 3.41Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.32Å; Q777-E781 PolarHBondContact NE2-OE1 3.29Å; Q777-E781 PolarHBondContact O-N 3.25Å; Q777-E781 VanDerWaalsContact O-N 3.15Å
778R89.1Confident83.9Confident67 Ų6760.5 Ų60.525%0.25331%0.314SS..Hα-helixtrans-60.6-33.3177.2-73.5-76.3-174.5-148.44.5113.2P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 2.96Å; P747-R778 PolarHBondContact O-NH2 3.05Å; P747-R778 VanDerWaalsContact O-NH2 3.13Å; V750-R778 HydrophobicContact CG1-CB 4.39Å; V750-R778 HydrophobicContact CG2-CB 4.1Å; V750-R778 HydrophobicContact CG2-CG 3.68Å; I774-R778 HydrophobicContact CG2-CG 4.37Å; I774-R778 WeakPolarHBondContact O-CB 3.48Å; I774-R778 VanDerWaalsContact O-CG 3.24Å; I774-R778 WeakPolarHBondContact O-CG 3.28Å; I774-R778 PolarHBondContact O-N 3Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 3.21Å; R778-E781 WeakPolarHBondContact CD-OE2 3.25Å; R778-E781 IonicContact CZ-OE2 2.87Å; R778-E781 IonicContact NE-OE2 3.18Å; R778-E781 IonicContact NH1-OE2 2.81Å; R778-E781 PolarHBondContact NH1-OE2 3.49Å; R778-E781 PolarHBondContact O-N 3.31Å; R778-E782 WeakPolarHBondContact O-CB 3.29Å; R778-E782 VanDerWaalsContact O-CG 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.38Å; R778-E782 PolarHBondContact O-N 3.21Å
779R87.7Confident82.4Confident20 Ų2065.9 Ų65.98%0.07535%0.346CS..Hα-helixtrans-68.5-26.1175.2-69.6-70.3177.4-105.8-14.5113.9L775 S776 Q777 E782 R805 H806L775-R779 WeakPolarHBondContact O-CG 3.49Å; L775-R779 PolarHBondContact O-N 3.46Å; S776-R779 PolarHBondContact O-N 3.38Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.19Å; R779-E782 WeakPolarHBondContact CD-OE2 3.39Å; R779-E782 IonicContact CZ-OE2 3.9Å; R779-E782 IonicContact NE-OE2 2.68Å; R779-E782 VanDerWaalsContact NH1-CD 3.25Å; R779-E782 IonicContact NH1-OE1 2.89Å; R779-E782 PolarHBondContact NH1-OE1 3.12Å; R779-E782 IonicContact NH1-OE2 3.2Å; R779-E782 PolarHBondContact NH1-OE2 2.92Å; R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.47Å; R779-H806 PolarHBondContact NH2-O 3.05Å
780L85.7Confident81.3Confident61 Ų6165.3 Ų65.332%0.31934%0.336SS..Hα-helixtrans-74.2-51.2171.8-64.3171.8000109.6S776 Q777 R778 E782 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.14Å; Q777-L780 WeakPolarHBondContact O-CB 3.42Å; Q777-L780 PolarHBondContact O-N 3.41Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 3.21Å; L780-E782 PolarHBondContact O-N 3.38Å; L780-Q783 PolarHBondContact O-N 3.13Å; L780-Q783 VanDerWaalsContact O-N 3.12Å; L780-E784 PolarHBondContact O-N 3.48Å; L780-E784 VanDerWaalsContact O-N 3.13Å; L780-M797 HydrophobicContact CD2-CE 3.74Å; L780-H812 HydrophobicContact CD2-CB 4.06Å
781E86.4Confident80.4Confident67 Ų6769.6 Ų69.631%0.31335%0.348SS..Hα-helixtrans-58.5-44.3-179.9-66.9168.6-170.300113.1Q777 R778 Q783 E784 L785Q777-E781 WeakPolarHBondContact CG-OE1 3.32Å; Q777-E781 PolarHBondContact NE2-OE1 3.29Å; Q777-E781 PolarHBondContact O-N 3.25Å; Q777-E781 VanDerWaalsContact O-N 3.15Å; R778-E781 WeakPolarHBondContact CD-OE2 3.25Å; R778-E781 IonicContact CZ-OE2 2.87Å; R778-E781 IonicContact NE-OE2 3.18Å; R778-E781 IonicContact NH1-OE2 2.81Å; R778-E781 PolarHBondContact NH1-OE2 3.49Å; R778-E781 PolarHBondContact O-N 3.31Å; E781-Q783 PolarHBondContact O-N 3.42Å; E781-E784 PolarHBondContact O-N 3.36Å; E781-E784 VanDerWaalsContact O-N 3.13Å; E781-L785 PolarHBondContact O-N 3.18Å
782E81.6Confident79.8Confident80 Ų8072 Ų7237%0.37437%0.366SS..Hα-helixtrans-55.9-34.3177.1-79.4169.9174.200112.4R778 R779 L780 H786R778-E782 WeakPolarHBondContact O-CB 3.29Å; R778-E782 VanDerWaalsContact O-CG 3.25Å; R778-E782 WeakPolarHBondContact O-CG 3.38Å; R778-E782 PolarHBondContact O-N 3.21Å; R779-E782 WeakPolarHBondContact CD-OE2 3.39Å; R779-E782 IonicContact CZ-OE2 3.9Å; R779-E782 IonicContact NE-OE2 2.68Å; R779-E782 VanDerWaalsContact NH1-CD 3.25Å; R779-E782 IonicContact NH1-OE1 2.89Å; R779-E782 PolarHBondContact NH1-OE1 3.12Å; R779-E782 IonicContact NH1-OE2 3.2Å; R779-E782 PolarHBondContact NH1-OE2 2.92Å; L780-E782 PolarHBondContact O-N 3.38Å; E782-H786 PolarHBondContact O-N 2.74Å; E782-H786 PolarHBondContact O-ND1 2.76Å
783Q75.1Confident79.5Confident28 Ų2872.8 Ų72.813%0.13137%0.37CS..Hα-helixtrans-87.1-20.9-179.6-166.3-154.9-42.300113.4L780 E781 L785 H786 P788 H812L780-Q783 PolarHBondContact O-N 3.13Å; L780-Q783 VanDerWaalsContact O-N 3.12Å; E781-Q783 PolarHBondContact O-N 3.42Å; Q783-L785 VanDerWaalsContact C-N 3.26Å; Q783-H786 CarbonylContact C-O 3.58Å; Q783-P788 HydrophobicContact CG-CB 4.18Å; Q783-H812 VanDerWaalsContact OE1-CA 3.25Å; Q783-H812 PolarHBondContact OE1-ND1 3.25Å
784E73.1Confident79.4Confident133 Ų13371.2 Ų71.262%0.62135%0.353SS*.Hα-helixtrans-72-28.2168.1-61.4-156.8131.700111.1L780 E781 K1041L780-E784 PolarHBondContact O-N 3.48Å; L780-E784 VanDerWaalsContact O-N 3.13Å; E781-E784 PolarHBondContact O-N 3.36Å; E781-E784 VanDerWaalsContact O-N 3.13Å; E784-K1041 IonicContact OE1-NZ 3.17Å; E784-K1041 PolarHBondContact OE1-NZ 3.18Å
785L70.4Confident79.2Confident144 Ų14475.7 Ų75.775%0.75437%0.373SS*.Hα-helixtrans-83.7-32176-166.366.8000113.8E781 Q783E781-L785 PolarHBondContact O-N 3.18Å; Q783-L785 VanDerWaalsContact C-N 3.26Å
786H66.3Low79.2Confident125 Ų12575.9 Ų75.958%0.57937%0.374SS*.SBendtrans-119.7125.1-179.1-54.780.3000110.8E782 Q783E782-H786 PolarHBondContact O-N 2.74Å; E782-H786 PolarHBondContact O-ND1 2.76Å; Q783-H786 CarbonylContact C-O 3.58Å
787Q63.2Low79.1Confident174 Ų17475.2 Ų75.281%0.81337%0.369SS*.  trans-56.1132.3174.5-68.7-172.92.300110.5T789Q787-T789 PolarHBondContact O-N 3.13Å
788P60.5Low79.2Confident53 Ų5371.5 Ų71.534%0.34436%0.355SS..  trans-68.2121.1-173.826.1-33.7000111Q783 S790 R811Q783-P788 HydrophobicContact CG-CB 4.18Å; P788-S790 PolarHBondContact O-N 2.62Å; P788-R811 HydrophobicContact CB-CB 4.2Å
789T58.6Low79.3Confident117 Ų11768.6 Ų68.672%0.71835%0.345SS*.SBendtrans-64.7-10.3179.2-25.60000113.6Q787Q787-T789 PolarHBondContact O-N 3.13Å
790S65.7Low79.6Confident33 Ų3368.8 Ų68.823%0.23135%0.347CS..  trans-126132.4174.3-170.30000111.5P788 S792 M809P788-S790 PolarHBondContact O-N 2.62Å; S790-S792 PolarHBondContact O-N 3.17Å; S790-S792 PolarHBondContact OG-N 2.96Å; S790-S792 PolarHBondContact OG-OG 3.25Å; S790-M809 VanDerWaalsContact CB-O 3.26Å; S790-M809 WeakPolarHBondContact CB-O 3.5Å; S790-M809 PolarHBondContact N-O 2.87Å
791R73.3Confident79.9Confident170 Ų17066.5 Ų66.564%0.64234%0.337SS*.SBendtrans-63.8-23.4170.1-59.5-177.9-175.7-156.1-2.5112.7R811R791-R811 PolarHBondContact O-NE 3.15Å; R791-R811 PolarHBondContact O-NH2 2.84Å
792S82Confident80.3Confident55 Ų5563.7 Ų63.739%0.38532%0.324SS..SBendtrans-82.2136.1-173.766.50000113.4S790 Y810 R811S790-S792 PolarHBondContact O-N 3.17Å; S790-S792 PolarHBondContact OG-N 2.96Å; S790-S792 PolarHBondContact OG-OG 3.25Å; S792-Y810 VanDerWaalsContact OG-CD1 3.3Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.13Å; S792-R811 PolarHBondContact O-N 3.31Å; S792-R811 VanDerWaalsContact O-N 3.1Å
793L87.1Confident80.8Confident27 Ų2759.9 Ų59.914%0.14131%0.307CS..BIsolated β-bridgetrans-65.2136.8176.7-173.669.6000111.1H795 M797 A798 R811 M814L793-H795 PolarHBondContact O-N 3.28Å; L793-M797 HydrophobicContact CD1-CG 4.39Å; L793-A798 HydrophobicContact CD2-CB 3.83Å; L793-A798 HydrophobicContact CG-CB 4.29Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.48Å; L793-R811 WeakPolarHBondContact CD1-O 3.49Å; L793-M814 HydrophobicContact CD2-CE 3.69Å
794C90.5Very high81.6Confident0 Ų058.7 Ų58.70%030%0.301CS..PPolyproline II helixtrans-61.2126.1-179175.90000110.9Q796 M797 A798 R811 H812C794-Q796 PolarHBondContact O-N 3.43Å; C794-M797 HydrophobicContact CB-CB 3.85Å; C794-M797 WeakPolarHBondContact O-CB 3.33Å; C794-M797 PolarHBondContact O-N 3.24Å; C794-A798 PolarHBondContact O-N 2.97Å; C794-R811 WeakPolarHBondContact CB-O 3.42Å; C794-R811 PolarHBondContact N-O 3.28Å; C794-H812 WeakPolarHBondContact CB-CD2 3.24Å
795H89.9Confident82.4Confident114 Ų11455.2 Ų55.253%0.52828%0.283SS..THydrogen-bonded Turntrans-64.9-24.3-174.7-134.783.5000114.2L793 A799 R951L793-H795 PolarHBondContact O-N 3.28Å; H795-A799 VanDerWaalsContact O-CB 3.23Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.4Å; H795-R951 PolarHBondContact NE2-NH2 3.36Å
796Q93.1Very high83.1Confident6 Ų651.1 Ų51.13%0.02826%0.26CS..THydrogen-bonded Turntrans-75.8-43169.6-72.5-164.34.800111.5C794 A798 A799 F800 D802 R805 L960 D961C794-Q796 PolarHBondContact O-N 3.43Å; Q796-A798 PolarHBondContact O-N 3.02Å; Q796-A799 PolarHBondContact O-N 2.78Å; Q796-F800 HydrophobicContact CB-CD2 4.29Å; Q796-F800 WeakPolarHBondContact O-CD2 3.33Å; Q796-F800 PolarHBondContact O-N 3.29Å; Q796-D802 CarbonylContact C-O 3.54Å; Q796-D802 VanDerWaalsContact C-O 3.3Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; Q796-L960 PolarHBondContact NE2-O 2.92Å; Q796-L960 VanDerWaalsContact NE2-O 3.11Å; Q796-D961 PolarHBondContact NE2-O 3.12Å
797M91.9Very high83.9Confident8 Ų852 Ų524%0.03926%0.262CS..Hα-helixtrans-59.6-48.8177.6-1795483.600110.7L780 L793 C794 A799 F800 G801 D802 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.74Å; L793-M797 HydrophobicContact CD1-CG 4.39Å; C794-M797 HydrophobicContact CB-CB 3.85Å; C794-M797 WeakPolarHBondContact O-CB 3.33Å; C794-M797 PolarHBondContact O-N 3.24Å; M797-A799 PolarHBondContact O-N 2.66Å; M797-A799 VanDerWaalsContact O-N 3.14Å; M797-F800 PolarHBondContact O-N 3.19Å; M797-G801 WeakPolarHBondContact O-CA 3.47Å; M797-G801 PolarHBondContact O-N 2.96Å; M797-G801 VanDerWaalsContact SD-O 3.36Å; M797-D802 PolarHBondContact N-O 3.28Å; M797-H812 HydrophobicContact CE-CB 3.85Å; M797-H812 HydrophobicContact CG-CB 4.41Å; M797-M1036 HydrophobicContact CG-CG 4.27Å; M797-M1036 HydrophobicContact CG-SD 3.59Å; M797-M1036 VanDerWaalsContact CG-SD 3.59Å; M797-M1036 HydrophobicContact SD-CB 4.3Å; M797-M1036 HydrophobicContact SD-CG 3.9Å; M797-M1036 HydrophobicContact SD-SD 3.71Å
798A91.2Very high85Confident19 Ų1945.1 Ų45.116%0.15723%0.232CC..Hα-helixtrans-62.3-19175.300000114.6L793 C794 Q796L793-A798 HydrophobicContact CD2-CB 3.83Å; L793-A798 HydrophobicContact CG-CB 4.29Å; C794-A798 PolarHBondContact O-N 2.97Å; Q796-A798 PolarHBondContact O-N 3.02Å
799A92.3Very high86.1Confident7 Ų748.3 Ų48.36%0.05824%0.244CC..Hα-helixtrans-99.6-35.3-17800000113.8H795 Q796 M797 R951H795-A799 VanDerWaalsContact O-CB 3.23Å; H795-A799 WeakPolarHBondContact O-CB 3.37Å; H795-A799 PolarHBondContact O-N 3.4Å; Q796-A799 PolarHBondContact O-N 2.78Å; M797-A799 PolarHBondContact O-N 2.66Å; M797-A799 VanDerWaalsContact O-N 3.14Å; A799-R951 VanDerWaalsContact CB-NH1 3.31Å
800F93.5Very high87.5Confident24 Ų2447.6 Ų47.611%0.10523%0.229CC..Hα-helixtrans-131.4-7.4-164.4-53.1-66.2000113.8Q796 M797 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.29Å; Q796-F800 WeakPolarHBondContact O-CD2 3.33Å; Q796-F800 PolarHBondContact O-N 3.29Å; M797-F800 PolarHBondContact O-N 3.19Å; F800-D802 WeakPolarHBondContact CB-OD1 3.27Å; F800-D802 PolarHBondContact O-N 2.85Å; F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.08Å; F800-R962 VanDerWaalsContact CD2-CD 3.46Å; F800-R962 HydrophobicContact CE2-CB 4.13Å; F800-R962 VanDerWaalsContact CE2-CD 3.48Å; F800-R962 HydrophobicContact CE2-CG 4.41Å; F800-K1032 WeakPolarHBondContact O-CB 3.42Å; F800-K1032 WeakPolarHBondContact O-CD 3.48Å
801G92.7Very high88.6Confident12 Ų1246.4 Ų46.412%0.12422%0.219CC..SBendtrans71.59.7-174.900000114.7M797M797-G801 WeakPolarHBondContact O-CA 3.47Å; M797-G801 PolarHBondContact O-N 2.96Å; M797-G801 VanDerWaalsContact SD-O 3.36Å
802D93.5Very high89.4Confident8 Ų838.6 Ų38.64%0.04319%0.19CC..SBendtrans-150.7165.217561.69.3000111.7Q796 M797 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.54Å; Q796-D802 VanDerWaalsContact C-O 3.3Å; M797-D802 PolarHBondContact N-O 3.28Å; F800-D802 WeakPolarHBondContact CB-OD1 3.27Å; F800-D802 PolarHBondContact O-N 2.85Å; D802-R962 PolarHBondContact O-NH1 2.84Å; D802-R962 VanDerWaalsContact O-NH1 3.11Å; D802-R962 IonicContact OD1-CZ 3.58Å; D802-R962 IonicContact OD1-NH1 3.21Å; D802-R962 PolarHBondContact OD1-NH1 2.9Å; D802-R962 IonicContact OD1-NH2 2.74Å; D802-R962 PolarHBondContact OD1-NH2 3.06Å; D802-R962 IonicContact OD2-NH2 3.57Å; D802-R962 PolarHBondContact OD2-NH2 3.33Å; D802-K1032 HydrophobicContact CB-CD 4.41Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 2.63Å; D802-K1032 PolarHBondContact OD2-NZ 3.45Å
803C92.6Very high89.7Confident1 Ų137 Ų371%0.00718%0.178CC..  trans-127.3125.3176.4-173.80000110.7H812C803-H812 VanDerWaalsContact CB-CD2 3.5Å; C803-H812 WeakPolarHBondContact CB-CD2 3.35Å; C803-H812 PolarHBondContact SG-NE2 3.3Å
804L92.4Very high89.8Confident2 Ų235.9 Ų35.91%0.0117%0.172CC..  trans-113.68.1-179.1-59.5178.6000112.8W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 2.91Å; L772-L804 HydrophobicContact CB-CD2 4.26Å; L772-L804 HydrophobicContact CD2-CD1 4.18Å; L772-L804 HydrophobicContact CD2-CD2 4.27Å; L775-L804 HydrophobicContact CB-CD2 4.3Å; L804-L960 HydrophobicContact CD1-CD2 4.48Å
805R89.2Confident89.7Confident61 Ų6137.8 Ų37.823%0.2318%0.179CC..  trans-61.9144.1179.2-68180168.8174.7-6.1111.4R779 Q796 K807 C808 Y810R779-R805 PolarHBondContact NE-O 2.88Å; R779-R805 PolarHBondContact NH2-O 3.47Å; Q796-R805 HydrophobicContact CG-CG 4.49Å; R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.38Å; R805-K807 PolarHBondContact O-N 2.88Å; R805-C808 HydrophobicContact CB-CB 4.23Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.25Å
806H85.1Confident89.6Confident58 Ų5839 Ų3927%0.26918%0.179SC..SBendtrans-62.2-36.3177.7-175.4-112.6000113.1E751 W754 R779E751-H806 VanDerWaalsContact CD-NE2 3.32Å; E751-H806 IonicContact OE1-CE1 3.81Å; E751-H806 IonicContact OE1-NE2 2.72Å; E751-H806 PolarHBondContact OE1-NE2 3.44Å; E751-H806 IonicContact OE2-CD2 2.89Å; E751-H806 IonicContact OE2-CE1 3.04Å; E751-H806 PolarHBondContact OE2-CE1 2.88Å; E751-H806 IonicContact OE2-NE2 2.74Å; E751-H806 PolarHBondContact OE2-NE2 2.92Å; W754-H806 HydrophobicContact CD2-CB 4.09Å; W754-H806 AromaticContact CD2-CD2 3.59Å; W754-H806 AromaticContact CE3-CD2 3.73Å; W754-H806 AromaticContact CG-CD2 3.85Å; W754-H806 HydrophobicContact CH2-CB 4.21Å; W754-H806 HydrophobicContact CZ2-CB 3.73Å; R779-H806 PolarHBondContact NH2-O 3.05Å
807K84.1Confident89.2Confident144 Ų14442.9 Ų42.963%0.62620%0.2SC*.SBendtrans-142.2147.5165.8-62.4-172.7179.5-172.10108.3R805R805-K807 VanDerWaalsContact C-N 3.3Å; R805-K807 WeakPolarHBondContact CB-O 3.38Å; R805-K807 PolarHBondContact O-N 2.88Å
808C85.9Confident88.9Confident28 Ų2843.5 Ų43.519%0.18920%0.203CC..  trans-146123.1179.2-164.50000111R805 H812R805-C808 HydrophobicContact CB-CB 4.23Å; C808-H812 PolarHBondContact SG-NE2 3.27Å
809M84.4Confident88.8Confident121 Ų12143.9 Ų43.960%0.59620%0.203SC*.  trans-94.44.4178.8-51.6-54.8-64.400113S790S790-M809 VanDerWaalsContact CB-O 3.26Å; S790-M809 WeakPolarHBondContact CB-O 3.5Å; S790-M809 PolarHBondContact N-O 2.87Å
810Y87Confident88.6Confident102 Ų10249.8 Ų49.840%0.423%0.233SC..SBendtrans-95.8150.3-175-63.5-88000111.2S792 R805 H812S792-Y810 VanDerWaalsContact OG-CD1 3.3Å; S792-Y810 WeakPolarHBondContact OG-CD1 3.13Å; R805-Y810 VanDerWaalsContact NH1-CE2 3.25Å; Y810-H812 PolarHBondContact O-CE1 3.21Å; Y810-H812 VanDerWaalsContact O-CE1 3.31Å; Y810-H812 PolarHBondContact O-N 3.4Å; Y810-H812 PolarHBondContact O-ND1 3.14Å
811R89.1Confident88.4Confident7 Ų749.4 Ų49.43%0.02623%0.233CC..BIsolated β-bridgetrans-62.8131.2174171.9169.260.296.8-6.6110.5P788 R791 S792 L793 C794 V813 E818P788-R811 HydrophobicContact CB-CB 4.2Å; R791-R811 PolarHBondContact O-NE 3.15Å; R791-R811 PolarHBondContact O-NH2 2.84Å; S792-R811 PolarHBondContact O-N 3.31Å; S792-R811 VanDerWaalsContact O-N 3.1Å; L793-R811 CarbonylContact C-O 3.53Å; L793-R811 WeakPolarHBondContact CA-O 3.48Å; L793-R811 WeakPolarHBondContact CD1-O 3.49Å; C794-R811 WeakPolarHBondContact CB-O 3.42Å; C794-R811 PolarHBondContact N-O 3.28Å; R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.44Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.16Å; R811-V813 PolarHBondContact NH1-O 3.07Å; R811-E818 IonicContact CZ-OE1 3.74Å; R811-E818 IonicContact CZ-OE2 3.26Å; R811-E818 IonicContact NH1-OE1 2.67Å; R811-E818 IonicContact NH1-OE2 2.69Å; R811-E818 PolarHBondContact NH1-OE2 3.5Å; R811-E818 IonicContact NH2-OE1 2.77Å; R811-E818 PolarHBondContact NH2-OE1 3.03Å; R811-E818 IonicContact NH2-OE2 2.68Å; R811-E818 PolarHBondContact NH2-OE2 3.06Å
812H90.7Very high88.3Confident7 Ų750.6 Ų50.63%0.03224%0.239CC..  trans-107.812.7173.7-48.7104.7000112.9L780 Q783 C794 M797 C803 C808 Y810L780-H812 HydrophobicContact CD2-CB 4.06Å; Q783-H812 VanDerWaalsContact OE1-CA 3.25Å; Q783-H812 PolarHBondContact OE1-ND1 3.25Å; C794-H812 WeakPolarHBondContact CB-CD2 3.24Å; M797-H812 HydrophobicContact CE-CB 3.85Å; M797-H812 HydrophobicContact CG-CB 4.41Å; C803-H812 VanDerWaalsContact CB-CD2 3.5Å; C803-H812 WeakPolarHBondContact CB-CD2 3.35Å; C803-H812 PolarHBondContact SG-NE2 3.3Å; C808-H812 PolarHBondContact SG-NE2 3.27Å; Y810-H812 PolarHBondContact O-CE1 3.21Å; Y810-H812 VanDerWaalsContact O-CE1 3.31Å; Y810-H812 PolarHBondContact O-N 3.4Å; Y810-H812 PolarHBondContact O-ND1 3.14Å
813V87.5Confident88.1Confident22 Ų2257.3 Ų57.313%0.13327%0.274CS..SBendtrans-114.5119.4174.9173.80000108.4R811 K1041R811-V813 VanDerWaalsContact CD-O 3.28Å; R811-V813 WeakPolarHBondContact CD-O 3.44Å; R811-V813 HydrophobicContact CG-CB 4.48Å; R811-V813 WeakPolarHBondContact CG-O 3.16Å; R811-V813 PolarHBondContact NH1-O 3.07Å; V813-K1041 HydrophobicContact CG1-CB 3.92Å; V813-K1041 HydrophobicContact CG1-CD 3.92Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å
814M88.5Confident88Confident3 Ų359.5 Ų59.52%0.01528%0.284CS..  trans-73.1141.4173.9179.2166.5-92.900110.5L793 E818 V819 I996 H997 M1036 V1037 S1040 K1041L793-M814 HydrophobicContact CD2-CE 3.69Å; M814-E818 HydrophobicContact CE-CB 4.43Å; M814-E818 HydrophobicContact CG-CB 3.88Å; M814-V819 HydrophobicContact CG-CG2 4.17Å; M814-V819 HydrophobicContact SD-CG2 3.99Å; M814-I996 HydrophobicContact CE-CG2 3.95Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; M814-H997 HydrophobicContact CE-CB 4.03Å; M814-M1036 HydrophobicContact CB-CG 4.27Å; M814-M1036 HydrophobicContact CE-CE 3.82Å; M814-M1036 HydrophobicContact SD-CE 3.91Å; M814-V1037 HydrophobicContact SD-CG2 4.28Å; M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.18Å; M814-S1040 WeakPolarHBondContact O-CB 3.49Å; M814-K1041 PolarHBondContact O-N 3.27Å; M814-K1041 VanDerWaalsContact O-N 3.12Å
815W89.1Confident88.1Confident40 Ų4059.7 Ų59.715%0.15229%0.285CS..BIsolated β-bridgetrans-84.7155.3172.8-63.5-38.2000111.4D817 E818 V819 K1041 C1043 Y1045W815-D817 VanDerWaalsContact C-N 3.32Å; W815-D817 WeakPolarHBondContact CB-OD1 3.21Å; W815-D817 PolarHBondContact O-N 3.23Å; W815-E818 HydrophobicContact CB-CG 4.13Å; W815-E818 HydrophobicContact CE3-CG 4.37Å; W815-E818 PolarHBondContact N-OE2 2.96Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 2.86Å; W815-V819 PolarHBondContact O-N 3.3Å; W815-K1041 CarbonylContact C-O 3.52Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.29Å; W815-C1043 HydrophobicContact CB-CB 4.43Å; W815-C1043 HydrophobicContact CD2-CB 3.86Å; W815-C1043 HydrophobicContact CE3-CB 4.19Å; W815-C1043 HydrophobicContact CG-CB 3.98Å; W815-Y1045 HydrophobicContact CZ2-CD2 4.46Å
816R88.4Confident88.3Confident140 Ų14057.8 Ų57.853%0.52828%0.281SS..Hα-helixtrans-62.8-35.5-177.2-68.5-167.1-171.3139.34.9113.8E818 V819 K1041 D1042R816-E818 VanDerWaalsContact C-N 3.27Å; R816-E818 PolarHBondContact O-N 3.43Å; R816-V819 WeakPolarHBondContact O-CB 3.48Å; R816-V819 PolarHBondContact O-N 3.21Å; R816-K1041 PolarHBondContact N-O 3.01Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.48Å; R816-D1042 IonicContact CZ-OD1 3.65Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.26Å; R816-D1042 IonicContact CZ-OD2 3.86Å; R816-D1042 IonicContact NE-OD1 2.73Å; R816-D1042 IonicContact NH1-OD1 3.62Å; R816-D1042 PolarHBondContact NH1-OD1 3.37Å; R816-D1042 IonicContact NH1-OD2 3.77Å; R816-D1042 PolarHBondContact NH1-OD2 3.45Å; R816-D1042 IonicContact NH2-OD2 2.62Å; R816-D1042 PolarHBondContact NH2-OD2 3.13Å
817D84.1Confident88.5Confident86 Ų8660.2 Ų60.246%0.4629%0.29SS..Hα-helixtrans-67.9-26.7173.864.9-41.4000112.5W815 M1046W815-D817 VanDerWaalsContact C-N 3.32Å; W815-D817 WeakPolarHBondContact CB-OD1 3.21Å; W815-D817 PolarHBondContact O-N 3.23Å; D817-M1046 HydrophobicContact CB-CE 4.27Å
818E85.9Confident88.8Confident22 Ų2259.3 Ų59.310%0.10329%0.293CS..Hα-helixtrans-78.7-17.6175.8-64.6177.2142.800113.9R811 M814 W815 R816 H997R811-E818 IonicContact CZ-OE1 3.74Å; R811-E818 IonicContact CZ-OE2 3.26Å; R811-E818 IonicContact NH1-OE1 2.67Å; R811-E818 IonicContact NH1-OE2 2.69Å; R811-E818 PolarHBondContact NH1-OE2 3.5Å; R811-E818 IonicContact NH2-OE1 2.77Å; R811-E818 PolarHBondContact NH2-OE1 3.03Å; R811-E818 IonicContact NH2-OE2 2.68Å; R811-E818 PolarHBondContact NH2-OE2 3.06Å; M814-E818 HydrophobicContact CE-CB 4.43Å; M814-E818 HydrophobicContact CG-CB 3.88Å; W815-E818 HydrophobicContact CB-CG 4.13Å; W815-E818 HydrophobicContact CE3-CG 4.37Å; W815-E818 PolarHBondContact N-OE2 2.96Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 2.86Å; R816-E818 VanDerWaalsContact C-N 3.27Å; R816-E818 PolarHBondContact O-N 3.43Å; E818-H997 WeakPolarHBondContact CA-ND1 3.15Å; E818-H997 WeakPolarHBondContact O-CA 3.31Å; E818-H997 WeakPolarHBondContact O-CB 3.5Å; E818-H997 PolarHBondContact O-N 2.94Å; E818-H997 PolarHBondContact O-ND1 2.85Å
819V87.9Confident89.2Confident27 Ų2759.6 Ų59.616%0.16430%0.3CS..Hα-helixtrans-63-48.6-176.5168.50000111.9M814 W815 R816 H997 V1037M814-V819 HydrophobicContact CG-CG2 4.17Å; M814-V819 HydrophobicContact SD-CG2 3.99Å; W815-V819 PolarHBondContact O-N 3.3Å; R816-V819 WeakPolarHBondContact O-CB 3.48Å; R816-V819 PolarHBondContact O-N 3.21Å; V819-H997 PolarHBondContact O-N 3.41Å; V819-V1037 HydrophobicContact CG1-CG1 3.6Å; V819-V1037 HydrophobicContact CG1-CG2 4.47Å; V819-V1037 HydrophobicContact CG2-CG1 4.31Å
820L88.6Confident89.8Confident131 Ų13159.3 Ų59.369%0.68630%0.3SS*.SBendtrans-77.5132.1-171.3-66.6176.6000111.1
821P90.1Very high90.2Very high16 Ų1655 Ų5510%0.10428%0.284CS..PPolyproline II helixtrans-73.8151.9172.732.5-36.2000111.1K827 A995 H997P821-K827 HydrophobicContact CG-CG 4.27Å; P821-A995 HydrophobicContact CB-CB 3.89Å; P821-A995 HydrophobicContact CG-CB 3.94Å; P821-H997 VanDerWaalsContact CA-O 3.24Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 WeakPolarHBondContact CB-O 3.4Å
822P89.9Confident90.5Very high37 Ų3760.4 Ų60.424%0.2430%0.304CS..PPolyproline II helixtrans-55.1147.1176.5-23.432.9000112.5H824 Y825 H997P822-H824 PolarHBondContact O-N 3.06Å; P822-Y825 HydrophobicContact CB-CD2 3.8Å; P822-Y825 HydrophobicContact CB-CE2 4.14Å; P822-Y825 HydrophobicContact CG-CD2 3.88Å; P822-Y825 HydrophobicContact CG-CE2 3.85Å; P822-Y825 HydrophobicContact CG-CG 4.46Å; P822-Y825 VanDerWaalsContact O-CB 3.3Å; P822-Y825 WeakPolarHBondContact O-CB 3.39Å; P822-Y825 PolarHBondContact O-N 2.87Å; P822-H997 WeakPolarHBondContact CD-O 3.49Å
823D89.4Confident90.7Very high148 Ų14860.1 Ų60.179%0.79130%0.303SS*.THydrogen-bonded Turntrans-61-26.8-169-67.3-47.7000115.8Y825D823-Y825 VanDerWaalsContact C-N 3.31Å
824H91.1Very high90.9Very high47 Ų4760 Ų6022%0.21830%0.301CS..THydrogen-bonded Turntrans-79.7-10176.259.4-77.6000113.5P822 Q851 R945P822-H824 PolarHBondContact O-N 3.06Å; H824-Q851 PolarHBondContact O-NE2 2.86Å; H824-Q851 PolarHBondContact O-OE1 3.34Å; H824-R945 WeakPolarHBondContact NE2-CG 3.39Å; H824-R945 PolarHBondContact NE2-O 2.78Å
825Y93.7Very high91.1Very high6 Ų661.1 Ų61.12%0.02431%0.309CS..SBendtrans-75.3134.2177-83.7-131.7000110.9P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.8Å; P822-Y825 HydrophobicContact CB-CE2 4.14Å; P822-Y825 HydrophobicContact CG-CD2 3.88Å; P822-Y825 HydrophobicContact CG-CE2 3.85Å; P822-Y825 HydrophobicContact CG-CG 4.46Å; P822-Y825 VanDerWaalsContact O-CB 3.3Å; P822-Y825 WeakPolarHBondContact O-CB 3.39Å; P822-Y825 PolarHBondContact O-N 2.87Å; D823-Y825 VanDerWaalsContact C-N 3.31Å; Y825-K827 PolarHBondContact O-N 2.98Å; Y825-R945 HydrophobicContact CE2-CG 4.39Å; Y825-M948 HydrophobicContact CD1-SD 4.42Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.17Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.4Å; Y825-M948 HydrophobicContact CE2-CE 3.94Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.17Å; Y825-M948 HydrophobicContact CG-CE 4.41Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; Y825-R998 VanDerWaalsContact CE1-O 3.3Å; Y825-R998 WeakPolarHBondContact CE1-O 3.45Å; Y825-R998 PolarHBondContact OH-O 2.9Å; Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.61Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 4Å
826P93.6Very high91.1Very high21 Ų2160.3 Ų60.314%0.13631%0.307CS..  trans-67.9123.8174.927.6-32.9000109.8I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.75Å; P826-I831 HydrophobicContact CG-CG2 3.62Å; P826-L848 HydrophobicContact CG-CD1 3.88Å; P826-V992 HydrophobicContact CB-CG2 4.32Å; P826-V992 HydrophobicContact CG-CG2 4.24Å; P826-I1000 HydrophobicContact CG-CD1 3.93Å
827K90.1Very high91.2Very high109 Ų10955.6 Ų55.647%0.47429%0.293SS..  trans-87.7-22.8-178.7-59.9179.9-174.9177.60112.5P821 Y825P821-K827 HydrophobicContact CG-CG 4.27Å; Y825-K827 PolarHBondContact O-N 2.98Å
828N90.8Very high91.6Very high126 Ų12652 Ų5267%0.67428%0.275SS*.SBendtrans-159.1176.3174.957.244000110.1
829G94Very high91.9Very high33 Ų3353 Ų5334%0.3428%0.278SS..EExtended strand (participates in β ladder)trans94.9-177.6172.400000115.4V991 V992G829-V991 WeakPolarHBondContact O-CA 3.42Å; G829-V992 PolarHBondContact O-N 2.72Å
830L95.5Very high92.1Very high115 Ų11552.5 Ų52.560%0.60228%0.276SS*.EExtended strand (participates in β ladder)trans-81.9129.8176.4-177.871.4000109.8H989 V991L830-H989 HydrophobicContact CD1-CB 4.24Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å
831I96.2Very high92.4Very high11 Ų1146.3 Ų46.36%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-115.6143174.857.1163.7000110.7P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.75Å; P826-I831 HydrophobicContact CG-CG2 3.62Å; I831-F833 HydrophobicContact CD1-CD1 3.88Å; I831-F833 HydrophobicContact CD1-CE1 4.16Å; I831-F833 HydrophobicContact CG1-CD1 4.04Å; I831-F833 HydrophobicContact CG1-CE1 4.3Å; I831-L848 HydrophobicContact CB-CD2 4.15Å; I831-L848 HydrophobicContact CD1-CD2 4.11Å; I831-L848 HydrophobicContact CG2-CD2 4.43Å; I831-L950 HydrophobicContact CD1-CD1 4.05Å; I831-H989 WeakPolarHBondContact O-CA 3.43Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; I831-A990 HydrophobicContact CG1-CB 4.28Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.47Å; I831-A990 PolarHBondContact N-O 3.21Å; I831-A990 PolarHBondContact O-N 3.18Å; I831-A990 VanDerWaalsContact O-N 3.16Å; I831-V992 HydrophobicContact CB-CG2 4.5Å; I831-V992 HydrophobicContact CD1-CG2 3.98Å; I831-V992 HydrophobicContact CG1-CG2 4.02Å; I831-V992 HydrophobicContact CG2-CG2 3.68Å; I831-I1000 HydrophobicContact CD1-CG2 4.5Å
832R95.3Very high92.6Very high122 Ų12246 Ų4646%0.4624%0.242SC..EExtended strand (participates in β ladder)trans-112131.9168.1-61-178-69.8-152.83.8109.8S849 D850 F988 H989R832-S849 PolarHBondContact O-N 3.49Å; R832-D850 WeakPolarHBondContact CB-OD2 3.48Å; R832-D850 IonicContact CZ-OD1 3.42Å; R832-D850 VanDerWaalsContact CZ-OD1 3.28Å; R832-D850 IonicContact CZ-OD2 2.69Å; R832-D850 IonicContact NE-OD1 3.74Å; R832-D850 PolarHBondContact NE-OD1 3.1Å; R832-D850 VanDerWaalsContact NE-OD1 3.1Å; R832-D850 IonicContact NE-OD2 2.73Å; R832-D850 PolarHBondContact NE-OD2 3.41Å; R832-D850 IonicContact NH2-OD1 3.48Å; R832-D850 PolarHBondContact NH2-OD1 3.49Å; R832-D850 IonicContact NH2-OD2 3.18Å; R832-F988 WeakPolarHBondContact CA-O 3.45Å; R832-H989 HydrophobicContact CG-CB 4.43Å
833F94.4Very high92.8Very high0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-148162.4-171.761-90.5000113.6I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.88Å; I831-F833 HydrophobicContact CD1-CE1 4.16Å; I831-F833 HydrophobicContact CG1-CD1 4.04Å; I831-F833 HydrophobicContact CG1-CE1 4.3Å; F833-V835 HydrophobicContact CD2-CG2 4.31Å; F833-V835 HydrophobicContact CE2-CG2 4.01Å; F833-V846 HydrophobicContact CB-CB 4.17Å; F833-V846 HydrophobicContact CB-CG2 4.37Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.52Å; F833-V846 HydrophobicContact CD2-CG2 4.3Å; F833-V846 HydrophobicContact CE2-CB 4.37Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.13Å; F833-V846 HydrophobicContact CG-CG1 4.38Å; F833-V846 HydrophobicContact CG-CG2 4.37Å; F833-R847 CarbonylContact C-O 3.59Å; F833-R847 WeakPolarHBondContact CA-O 3.36Å; F833-R847 WeakPolarHBondContact CB-O 3.24Å; F833-L848 HydrophobicContact CB-CD2 4.22Å; F833-L950 HydrophobicContact CD1-CD2 4.35Å; F833-L950 HydrophobicContact CD2-CD2 4.28Å; F833-L950 HydrophobicContact CE1-CD2 3.74Å; F833-L950 HydrophobicContact CE2-CD2 3.65Å; F833-L950 HydrophobicContact CZ-CD2 3.33Å; F833-F988 WeakPolarHBondContact CD1-O 3.49Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.29Å; F833-F988 HydrophobicContact CE2-CB 3.56Å; F833-F988 HydrophobicContact CE2-CG 4.43Å; F833-F988 HydrophobicContact CZ-CB 3.7Å; F833-F988 PolarHBondContact N-O 2.78Å; F833-F988 PolarHBondContact O-N 2.89Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.36Å; F833-I1005 HydrophobicContact CE2-CG2 4.37Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.11Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å
834L92.3Very high93.1Very high20 Ų2037.8 Ų37.811%0.10520%0.197CC..EExtended strand (participates in β ladder)trans-108.3131.1170.9-17760.6000108.6L836 V846 R847 P862L834-L836 PolarHBondContact O-N 3.45Å; L834-V846 CarbonylContact O-C 3.57Å; L834-V846 VanDerWaalsContact O-CA 3.31Å; L834-V846 WeakPolarHBondContact O-CA 3.39Å; L834-R847 PolarHBondContact N-O 3.43Å; L834-R847 PolarHBondContact O-N 3.3Å; L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.51Å; L834-P862 HydrophobicContact CG-CG 4.47Å
835V91.9Very high93.3Very high27 Ų2735.6 Ų35.616%0.16419%0.187CC..EExtended strand (participates in β ladder)trans-75.3120.4173.5179.60000109F833 L844 V846 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.31Å; F833-V835 HydrophobicContact CE2-CG2 4.01Å; V835-L844 HydrophobicContact CG2-CD1 4.17Å; V835-V846 HydrophobicContact CG2-CG1 4.44Å; V835-F977 HydrophobicContact CG2-CD1 4.01Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.32Å; V835-F988 HydrophobicContact CG2-CD2 3.83Å; V835-F988 HydrophobicContact CG2-CE2 4.13Å; V835-F988 HydrophobicContact CG2-CG 4.36Å
836L90.4Very high93.4Very high23 Ų2335.3 Ų35.312%0.1219%0.186CC..EExtended strand (participates in β ladder)trans-88.6-50.9175.6-57.7175.7000110.2L834 A845 R847 F861 P862 D920 T921 A947L834-L836 PolarHBondContact O-N 3.45Å; L836-A845 HydrophobicContact CB-CB 4.47Å; L836-A845 WeakPolarHBondContact CB-O 3.41Å; L836-A845 PolarHBondContact N-O 3.36Å; L836-R847 HydrophobicContact CD1-CB 4.04Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.18Å; L836-F861 HydrophobicContact CD2-CZ 4.15Å; L836-P862 HydrophobicContact CD2-CG 4.39Å; L836-D920 WeakPolarHBondContact CD1-O 3.4Å; L836-T921 WeakPolarHBondContact CB-O 3.27Å; L836-A947 HydrophobicContact CD1-CB 3.87Å
837V90.8Very high93.4Very high40 Ų4034.5 Ų34.524%0.24218%0.18CC..EExtended strand (participates in β ladder)trans-139.3142.8179.9-166.80000110Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.39Å; V837-Y839 HydrophobicContact CB-CE1 3.72Å; V837-Y839 HydrophobicContact CG1-CD1 3.76Å; V837-Y839 HydrophobicContact CG1-CE1 3.39Å; V837-Y839 HydrophobicContact CG2-CE1 4.47Å; V837-L844 CarbonylContact O-C 3.52Å; V837-L844 WeakPolarHBondContact O-CA 3.11Å; V837-A845 HydrophobicContact CB-CB 4.23Å; V837-A845 HydrophobicContact CG2-CB 4.5Å; V837-A845 PolarHBondContact N-O 3.2Å; V837-A845 VanDerWaalsContact N-O 3.17Å; V837-A845 PolarHBondContact O-N 3.35Å
838C92.4Very high93.6Very high10 Ų1029.6 Ų29.67%0.06816%0.159CC..EExtended strand (participates in β ladder)trans-109.3107.4170.6171.40000108.4S840 L844 R969 F977C838-S840 PolarHBondContact SG-O 3.06Å; C838-L844 HydrophobicContact CB-CD2 3.74Å; C838-R969 VanDerWaalsContact O-CD 3.3Å; C838-R969 WeakPolarHBondContact O-CD 3.47Å; C838-R969 WeakPolarHBondContact O-CG 3.2Å; C838-F977 HydrophobicContact CB-CD2 4.13Å; C838-F977 HydrophobicContact CB-CE2 4.15Å
839Y91.7Very high93.7Very high44 Ų4424.4 Ų24.417%0.17313%0.133CC..EExtended strand (participates in β ladder)trans-81.9-36.6179.6-54.4-51.5000111.8V837 S843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.39Å; V837-Y839 HydrophobicContact CB-CE1 3.72Å; V837-Y839 HydrophobicContact CG1-CD1 3.76Å; V837-Y839 HydrophobicContact CG1-CE1 3.39Å; V837-Y839 HydrophobicContact CG2-CE1 4.47Å; Y839-S843 WeakPolarHBondContact CB-O 3.3Å; Y839-S843 PolarHBondContact N-O 2.91Å; Y839-A845 HydrophobicContact CE2-CB 3.75Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; Y839-S922 PolarHBondContact OH-OG 3.04Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.41Å; Y839-T923 PolarHBondContact OH-N 3.33Å; Y839-T923 PolarHBondContact OH-OG1 2.69Å; Y839-E924 HydrophobicContact CD1-CG 4.14Å; Y839-E924 HydrophobicContact CE1-CG 3.44Å; Y839-E924 VanDerWaalsContact CE1-CG 3.44Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.3Å; Y839-R969 WeakPolarHBondContact O-CD 3.42Å
840S93Very high93.5Very high17 Ų1727.3 Ų27.312%0.11914%0.14CC..EExtended strand (participates in β ladder)trans-156172175.371.10000110.2C838 A842 S843C838-S840 PolarHBondContact SG-O 3.06Å; S840-A842 PolarHBondContact O-N 2.83Å; S840-A842 PolarHBondContact OG-N 3.39Å; S840-S843 PolarHBondContact N-O 2.77Å; S840-S843 PolarHBondContact O-N 3.12Å; S840-S843 VanDerWaalsContact O-O 3.12Å; S840-S843 PolarHBondContact OG-N 2.99Å; S840-S843 VanDerWaalsContact OG-N 3.11Å
841P93.6Very high93.2Very high1 Ų126 Ų261%0.00613%0.131CC..THydrogen-bonded Turntrans-53.3-17.8168.6-30.439.3000115.6W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 4.07Å; P841-W964 HydrophobicContact CB-CH2 4.03Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.99Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.37Å; P841-W964 HydrophobicContact CG-CH2 4.44Å; P841-W964 HydrophobicContact CG-CZ3 3.92Å; P841-A968 HydrophobicContact CG-CB 3.95Å; P841-V972 HydrophobicContact CB-CG2 4.08Å; P841-V972 HydrophobicContact CG-CG2 3.99Å; P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å
842A94.4Very high93Very high8 Ų826.7 Ų26.77%0.06613%0.134CC..THydrogen-bonded Turntrans-120.2-1.2-17600000115.2S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 2.83Å; S840-A842 PolarHBondContact OG-N 3.39Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.3Å; A842-I952 PolarHBondContact O-N 3.36Å; A842-L955 HydrophobicContact CB-CB 4.05Å; A842-L955 HydrophobicContact CB-CD2 3.97Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.27Å; A842-L955 WeakPolarHBondContact CB-O 3.4Å; A842-W964 HydrophobicContact CB-CZ2 4.26Å
843S94.8Very high92.8Very high12 Ų1224.1 Ų24.18%0.08413%0.133CC..EExtended strand (participates in β ladder)trans-147.3132.6-179.3167.20000111.6Y839 S840 D949 L950Y839-S843 WeakPolarHBondContact CB-O 3.3Å; Y839-S843 PolarHBondContact N-O 2.91Å; S840-S843 PolarHBondContact N-O 2.77Å; S840-S843 PolarHBondContact O-N 3.12Å; S840-S843 VanDerWaalsContact O-O 3.12Å; S840-S843 PolarHBondContact OG-N 2.99Å; S840-S843 VanDerWaalsContact OG-N 3.11Å; S843-D949 PolarHBondContact OG-OD1 3.27Å; S843-L950 WeakPolarHBondContact CA-O 3.34Å
844L95.4Very high92.6Very high2 Ų226.3 Ų26.31%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-138.1149-172.1-47.8173.6000109.8V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG2-CD1 4.17Å; V837-L844 CarbonylContact O-C 3.52Å; V837-L844 WeakPolarHBondContact O-CA 3.11Å; C838-L844 HydrophobicContact CB-CD2 3.74Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.38Å; L844-L950 PolarHBondContact N-O 3.31Å; L844-L950 PolarHBondContact O-N 2.98Å; L844-F977 HydrophobicContact CD1-CE1 4.32Å; L844-F977 HydrophobicContact CD1-CE2 4.31Å; L844-F977 HydrophobicContact CD1-CZ 3.61Å; L844-F977 HydrophobicContact CD2-CE2 3.6Å; L844-F977 HydrophobicContact CD2-CZ 3.77Å; L844-F977 HydrophobicContact CG-CZ 4.37Å; L844-I1005 HydrophobicContact CD1-CD1 3.46Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.46Å
845A95.2Very high92.4Very high0 Ų027.7 Ų27.70%016%0.16CC..EExtended strand (participates in β ladder)trans-90.3129.3155.400000109.5L836 V837 Y839 T923 M948L836-A845 HydrophobicContact CB-CB 4.47Å; L836-A845 WeakPolarHBondContact CB-O 3.41Å; L836-A845 PolarHBondContact N-O 3.36Å; V837-A845 HydrophobicContact CB-CB 4.23Å; V837-A845 HydrophobicContact CG2-CB 4.5Å; V837-A845 PolarHBondContact N-O 3.2Å; V837-A845 VanDerWaalsContact N-O 3.17Å; V837-A845 PolarHBondContact O-N 3.35Å; Y839-A845 HydrophobicContact CE2-CB 3.75Å; Y839-A845 WeakPolarHBondContact OH-CB 3.33Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; A845-M948 WeakPolarHBondContact CA-O 3.36Å
846V95.1Very high92.2Very high0 Ų029.5 Ų29.50%017%0.169CC..EExtended strand (participates in β ladder)trans-130.1158.5-177.3-54.40000111.1F833 L834 V835 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.17Å; F833-V846 HydrophobicContact CB-CG2 4.37Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.52Å; F833-V846 HydrophobicContact CD2-CG2 4.3Å; F833-V846 HydrophobicContact CE2-CB 4.37Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.13Å; F833-V846 HydrophobicContact CG-CG1 4.38Å; F833-V846 HydrophobicContact CG-CG2 4.37Å; L834-V846 CarbonylContact O-C 3.57Å; L834-V846 VanDerWaalsContact O-CA 3.31Å; L834-V846 WeakPolarHBondContact O-CA 3.39Å; V835-V846 HydrophobicContact CG2-CG1 4.44Å; L844-V846 HydrophobicContact CB-CG1 3.9Å; L844-V846 HydrophobicContact CD1-CG1 4.38Å; V846-M948 HydrophobicContact CG2-CB 4.32Å; V846-M948 PolarHBondContact N-O 2.86Å; V846-M948 PolarHBondContact O-N 3.25Å; V846-L950 HydrophobicContact CG1-CB 3.88Å; V846-L950 HydrophobicContact CG1-CD2 3.83Å; V846-L950 HydrophobicContact CG2-CB 3.77Å; V846-L950 HydrophobicContact CG2-CD2 4.2Å; V846-L950 HydrophobicContact CG2-CG 4.49Å
847R94.5Very high91.9Very high4 Ų431.9 Ų31.92%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-123127.8169.3-178.7170.273.7179.72.8110.6F833 L834 L836 S849 F852 T854 M863 S864 E946F833-R847 CarbonylContact C-O 3.59Å; F833-R847 WeakPolarHBondContact CA-O 3.36Å; F833-R847 WeakPolarHBondContact CB-O 3.24Å; L834-R847 PolarHBondContact N-O 3.43Å; L834-R847 PolarHBondContact O-N 3.3Å; L836-R847 HydrophobicContact CD1-CB 4.04Å; L836-R847 HydrophobicContact CD2-CB 4.19Å; L836-R847 HydrophobicContact CG-CB 4.18Å; R847-S849 PolarHBondContact O-N 3.38Å; R847-F852 HydrophobicContact CG-CB 3.64Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.39Å; R847-F852 PolarHBondContact NE-O 3.09Å; R847-T854 PolarHBondContact NH2-OG1 2.68Å; R847-M863 PolarHBondContact NH2-O 2.95Å; R847-S864 VanDerWaalsContact NH1-CB 3.31Å; R847-E946 WeakPolarHBondContact CD-OE2 3.47Å; R847-E946 HydrophobicContact CG-CB 4.23Å; R847-E946 IonicContact CZ-OE2 2.71Å; R847-E946 IonicContact NE-OE2 2.75Å; R847-E946 IonicContact NH1-OE2 3Å; R847-E946 PolarHBondContact NH1-OE2 3.06Å
848L94.8Very high91.5Very high7 Ų732.9 Ų32.94%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-67.2117.5178.5-57.7-176.6000110P826 I831 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.88Å; I831-L848 HydrophobicContact CB-CD2 4.15Å; I831-L848 HydrophobicContact CD1-CD2 4.11Å; I831-L848 HydrophobicContact CG2-CD2 4.43Å; F833-L848 HydrophobicContact CB-CD2 4.22Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 2.94Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.43Å; L848-Q851 HydrophobicContact CD1-CG 4.44Å; L848-Q851 PolarHBondContact O-N 3.23Å; L848-F852 HydrophobicContact CB-CD2 4.46Å; L848-F852 PolarHBondContact O-N 2.75Å; L848-M948 HydrophobicContact CD1-CE 3.75Å; L848-M948 HydrophobicContact CD1-SD 3.59Å; L848-M948 VanDerWaalsContact CD1-SD 3.59Å; L848-M948 HydrophobicContact CD2-SD 4.35Å; L848-M948 HydrophobicContact CG-CE 4.16Å; L848-M948 HydrophobicContact CG-SD 3.7Å
849S91.3Very high90.9Very high17 Ų1737.7 Ų37.712%0.11920%0.202CC..THydrogen-bonded Turntrans-71.9-25.8-174.3-66.60000113.1R832 R847R832-S849 PolarHBondContact O-N 3.49Å; R847-S849 PolarHBondContact O-N 3.38Å
850D90.1Very high90.3Very high94 Ų9441.2 Ų41.250%0.50322%0.224SC..THydrogen-bonded Turntrans-80.3-23.5179.9-62.1-44.1000113.1R832 L848R832-D850 WeakPolarHBondContact CB-OD2 3.48Å; R832-D850 IonicContact CZ-OD1 3.42Å; R832-D850 VanDerWaalsContact CZ-OD1 3.28Å; R832-D850 IonicContact CZ-OD2 2.69Å; R832-D850 IonicContact NE-OD1 3.74Å; R832-D850 PolarHBondContact NE-OD1 3.1Å; R832-D850 VanDerWaalsContact NE-OD1 3.1Å; R832-D850 IonicContact NE-OD2 2.73Å; R832-D850 PolarHBondContact NE-OD2 3.41Å; R832-D850 IonicContact NH2-OD1 3.48Å; R832-D850 PolarHBondContact NH2-OD1 3.49Å; R832-D850 IonicContact NH2-OD2 3.18Å; L848-D850 VanDerWaalsContact C-N 3.29Å; L848-D850 PolarHBondContact O-N 2.94Å
851Q90.5Very high89.7Confident86 Ų8642 Ų4240%0.40223%0.225SC..THydrogen-bonded Turntrans-99.8-39.5176.6-64.4-177.22.400112.2H824 L848 P853H824-Q851 PolarHBondContact O-NE2 2.86Å; H824-Q851 PolarHBondContact O-OE1 3.34Å; L848-Q851 HydrophobicContact CB-CB 4.28Å; L848-Q851 HydrophobicContact CB-CG 4.43Å; L848-Q851 HydrophobicContact CD1-CG 4.44Å; L848-Q851 PolarHBondContact O-N 3.23Å; Q851-P853 WeakPolarHBondContact O-CD 3.2Å
852F92.2Very high89.4Confident27 Ų2742.5 Ų42.512%0.11823%0.228CC..SBendtrans-128.475.1-173-50-68.8000109.7R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.64Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.39Å; R847-F852 PolarHBondContact NE-O 3.09Å; L848-F852 HydrophobicContact CB-CD2 4.46Å; L848-F852 PolarHBondContact O-N 2.75Å; F852-P944 HydrophobicContact CE1-CG 3.96Å; F852-P944 HydrophobicContact CZ-CG 4.04Å; F852-E946 HydrophobicContact CB-CG 4.25Å; F852-E946 HydrophobicContact CD1-CG 3.82Å; F852-E946 HydrophobicContact CD2-CB 4.47Å; F852-E946 HydrophobicContact CD2-CG 4.46Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.91Å; F852-M948 HydrophobicContact CE2-CE 3.99Å
853P90.9Very high89.1Confident67 Ų6742.8 Ų42.844%0.43523%0.228SC..  trans-62.3159.7-178.526.3-34.8000112Q851 A855 S864Q851-P853 WeakPolarHBondContact O-CD 3.2Å; P853-A855 PolarHBondContact O-N 2.91Å; P853-S864 WeakPolarHBondContact O-CA 3.13Å
854T89.3Confident89Confident46 Ų4642.4 Ų42.428%0.28223%0.225SC..  trans-86.5108.8176.2-56.80000109.7R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 2.68Å; T854-P862 HydrophobicContact CG2-CB 3.6Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 WeakPolarHBondContact CA-O 3.28Å
855A88.1Confident88.8Confident49 Ų4946.8 Ų46.841%0.40525%0.249SC..  trans-77.3-51178.100000111.8P853 M863 D865P853-A855 PolarHBondContact O-N 2.91Å; A855-M863 PolarHBondContact N-O 2.95Å; A855-D865 VanDerWaalsContact CB-OD1 3.25Å; A855-D865 WeakPolarHBondContact CB-OD1 3.44Å
856I87.6Confident88.7Confident66 Ų6647.3 Ų47.334%0.33825%0.252SS..EExtended strand (participates in β ladder)trans-139.6161-174.7-168.2162.1000111.7M863 E868I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.79Å; I856-M863 PolarHBondContact N-O 2.74Å; I856-M863 PolarHBondContact O-N 3.03Å; I856-E868 WeakPolarHBondContact CD1-OE1 3.5Å; I856-E868 HydrophobicContact CG2-CB 3.97Å; I856-E868 HydrophobicContact CG2-CG 4.19Å
857R83.8Confident88.6Confident72 Ų7247.9 Ų47.927%0.27226%0.258SS..EExtended strand (participates in β ladder)trans-113.9106.8169-71.9-176.4169.4-74.6-6.1110.8N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 2.91Å; R857-F861 CarbonylContact C-O 3.51Å; R857-F861 VanDerWaalsContact CA-O 3.24Å; R857-F861 WeakPolarHBondContact CA-O 3.26Å; R857-R984 PolarHBondContact NH2-O 3.4Å; R857-N985 PolarHBondContact NE-OD1 3.42Å; R857-N985 PolarHBondContact NH2-OD1 2.86Å
858F82.4Confident88.5Confident61 Ų6149.2 Ų49.227%0.26826%0.264SS..EExtended strand (participates in β ladder)trans-101.8127176.9-178.9-99.4000109.7N860 F861 M863 Q871 R899F858-N860 PolarHBondContact O-N 3.33Å; F858-N860 VanDerWaalsContact O-N 3.17Å; F858-F861 PolarHBondContact N-O 3.44Å; F858-F861 WeakPolarHBondContact O-CA 3.4Å; F858-F861 WeakPolarHBondContact O-CB 3.17Å; F858-F861 PolarHBondContact O-N 3.42Å; F858-M863 HydrophobicContact CB-CE 3.48Å; F858-M863 VanDerWaalsContact CB-CE 3.48Å; F858-M863 HydrophobicContact CB-CG 4.33Å; F858-M863 HydrophobicContact CB-SD 3.75Å; F858-M863 HydrophobicContact CD1-SD 4.39Å; F858-M863 HydrophobicContact CG-CE 4.09Å; F858-M863 HydrophobicContact CG-SD 4.34Å; F858-Q871 HydrophobicContact CZ-CG 4.48Å; F858-R899 HydrophobicContact CD1-CG 3.99Å; F858-R899 HydrophobicContact CE1-CG 4.03Å
859L80.9Confident88.5Confident112 Ų11254.8 Ų54.859%0.58629%0.285SS*.THydrogen-bonded Turntrans47.443.7-174.5-57.2177.8000113F861 N898L859-F861 PolarHBondContact O-N 3.29Å; L859-F861 VanDerWaalsContact O-N 3.15Å; L859-N898 HydrophobicContact CD1-CB 4.04Å
860N78.7Confident88.7Confident118 Ų11854 Ų5463%0.63128%0.28SS*.THydrogen-bonded Turntrans64.8-1.6-173.4-69.5-70.5000117.2R857 F858 R979R857-N860 PolarHBondContact NH1-O 2.91Å; F858-N860 PolarHBondContact O-N 3.33Å; F858-N860 VanDerWaalsContact O-N 3.17Å; N860-R979 PolarHBondContact O-NH2 2.87Å; N860-R979 VanDerWaalsContact O-NH2 3.09Å
861F81.3Confident88.9Confident32 Ų3250 Ų5014%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-88.2134.8177.4-168.8-91.3000111.7L836 R857 F858 L859 M863 R899 T921L836-F861 HydrophobicContact CD2-CZ 4.15Å; R857-F861 CarbonylContact C-O 3.51Å; R857-F861 VanDerWaalsContact CA-O 3.24Å; R857-F861 WeakPolarHBondContact CA-O 3.26Å; F858-F861 PolarHBondContact N-O 3.44Å; F858-F861 WeakPolarHBondContact O-CA 3.4Å; F858-F861 WeakPolarHBondContact O-CB 3.17Å; F858-F861 PolarHBondContact O-N 3.42Å; L859-F861 PolarHBondContact O-N 3.29Å; L859-F861 VanDerWaalsContact O-N 3.15Å; F861-M863 HydrophobicContact CD1-CG 4.18Å; F861-R899 VanDerWaalsContact CD2-NH1 3.33Å; F861-R899 VanDerWaalsContact CG-NH1 3.29Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.78Å
862P85.5Confident89Confident12 Ų1253.8 Ų53.88%0.07827%0.268CS..EExtended strand (participates in β ladder)trans-76.3120.1178.631.6-32.8000111.5L834 L836 T854L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.51Å; L834-P862 HydrophobicContact CG-CG 4.47Å; L836-P862 HydrophobicContact CD2-CG 4.39Å; T854-P862 HydrophobicContact CG2-CB 3.6Å
863M88.6Confident89.2Confident15 Ų1554.7 Ų54.77%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-109.8157.7174.3-54.6-163.3-46.900110.5R847 T854 A855 I856 F858 F861 E868 Q871R847-M863 PolarHBondContact NH2-O 2.95Å; T854-M863 CarbonylContact C-O 3.54Å; T854-M863 WeakPolarHBondContact CA-O 3.28Å; A855-M863 PolarHBondContact N-O 2.95Å; I856-M863 HydrophobicContact CG2-CB 4.04Å; I856-M863 HydrophobicContact CG2-CE 3.79Å; I856-M863 PolarHBondContact N-O 2.74Å; I856-M863 PolarHBondContact O-N 3.03Å; F858-M863 HydrophobicContact CB-CE 3.48Å; F858-M863 VanDerWaalsContact CB-CE 3.48Å; F858-M863 HydrophobicContact CB-CG 4.33Å; F858-M863 HydrophobicContact CB-SD 3.75Å; F858-M863 HydrophobicContact CD1-SD 4.39Å; F858-M863 HydrophobicContact CG-CE 4.09Å; F858-M863 HydrophobicContact CG-SD 4.34Å; F861-M863 HydrophobicContact CD1-CG 4.18Å; M863-E868 HydrophobicContact CE-CB 4.37Å; M863-Q871 HydrophobicContact CE-CB 4.19Å
864S92.4Very high89.4Confident3 Ų351.5 Ų51.52%0.02125%0.252CS..  trans-93.6179.6170.855.30000109.9R847 P853 L866 G867 E868 E946R847-S864 VanDerWaalsContact NH1-CB 3.31Å; P853-S864 WeakPolarHBondContact O-CA 3.13Å; S864-L866 PolarHBondContact O-N 3.41Å; S864-L866 PolarHBondContact OG-N 2.92Å; S864-G867 PolarHBondContact O-N 2.81Å; S864-G867 PolarHBondContact OG-N 3.46Å; S864-E868 WeakPolarHBondContact O-CB 3.21Å; S864-E868 PolarHBondContact O-N 3.32Å; S864-E946 WeakPolarHBondContact CB-OE1 3.49Å; S864-E946 WeakPolarHBondContact CB-OE2 3.37Å; S864-E946 PolarHBondContact OG-OE1 2.9Å; S864-E946 PolarHBondContact OG-OE2 2.98Å
865D92.8Very high89.6Confident94 Ų9453.1 Ų53.150%0.50326%0.256SS..Hα-helixtrans-58.3-32167.6-55.5-59.3000112.4A855 R869A855-D865 VanDerWaalsContact CB-OD1 3.25Å; A855-D865 WeakPolarHBondContact CB-OD1 3.44Å; D865-R869 WeakPolarHBondContact O-CB 3.22Å; D865-R869 WeakPolarHBondContact O-CG 3.32Å; D865-R869 PolarHBondContact O-N 3.36Å; D865-R869 VanDerWaalsContact O-N 3.07Å; D865-R869 PolarHBondContact O-NE 3.35Å
866L93.1Very high90Very high11 Ų1155.9 Ų55.96%0.05826%0.264CS..Hα-helixtrans-72.9-50.6175.4178.461.6000111.4S864 E868 R869 V870 F940 S943 E946S864-L866 PolarHBondContact O-N 3.41Å; S864-L866 PolarHBondContact OG-N 2.92Å; L866-E868 PolarHBondContact O-N 3.27Å; L866-R869 PolarHBondContact O-N 2.89Å; L866-R869 VanDerWaalsContact O-N 3.11Å; L866-V870 HydrophobicContact CD1-CG2 4.18Å; L866-V870 HydrophobicContact CG-CG2 4.49Å; L866-V870 WeakPolarHBondContact O-CG2 3.4Å; L866-V870 PolarHBondContact O-N 3.27Å; L866-F940 HydrophobicContact CD1-CD1 3.94Å; L866-S943 VanDerWaalsContact CD2-CB 3.5Å; L866-E946 WeakPolarHBondContact CB-OE1 3.39Å
867G92.4Very high90.2Very high13 Ų1359.7 Ų59.713%0.13428%0.28CS..Hα-helixtrans-59.2-37177.200000112.4S864 Q871S864-G867 PolarHBondContact O-N 2.81Å; S864-G867 PolarHBondContact OG-N 3.46Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3Å
868E93.1Very high90.6Very high32 Ų3260.3 Ų60.315%0.1530%0.3CS..Hα-helixtrans-66.3-44.8172.5178.4162.3-140.100113I856 M863 S864 L866 Q871 R872I856-E868 WeakPolarHBondContact CD1-OE1 3.5Å; I856-E868 HydrophobicContact CG2-CB 3.97Å; I856-E868 HydrophobicContact CG2-CG 4.19Å; M863-E868 HydrophobicContact CE-CB 4.37Å; S864-E868 WeakPolarHBondContact O-CB 3.21Å; S864-E868 PolarHBondContact O-N 3.32Å; L866-E868 PolarHBondContact O-N 3.27Å; E868-Q871 PolarHBondContact O-N 2.9Å; E868-R872 VanDerWaalsContact CD-NH2 3.29Å; E868-R872 HydrophobicContact CG-CG 4.29Å; E868-R872 WeakPolarHBondContact O-CB 3.35Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.48Å; E868-R872 PolarHBondContact O-N 2.53Å; E868-R872 IonicContact OE1-CZ 2.69Å; E868-R872 VanDerWaalsContact OE1-CZ 3.24Å; E868-R872 IonicContact OE1-NE 3.02Å; E868-R872 PolarHBondContact OE1-NE 3.35Å; E868-R872 VanDerWaalsContact OE1-NE 3.14Å; E868-R872 IonicContact OE1-NH2 2.67Å; E868-R872 PolarHBondContact OE1-NH2 3.09Å; E868-R872 IonicContact OE2-NH2 3.24Å
869R94.4Very high91.2Very high124 Ų12459.3 Ų59.347%0.46830%0.298SS..Hα-helixtrans-63.2-41.6176.2-75.1-177.8-57.3147.54.6112.1D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.22Å; D865-R869 WeakPolarHBondContact O-CG 3.32Å; D865-R869 PolarHBondContact O-N 3.36Å; D865-R869 VanDerWaalsContact O-N 3.07Å; D865-R869 PolarHBondContact O-NE 3.35Å; L866-R869 PolarHBondContact O-N 2.89Å; L866-R869 VanDerWaalsContact O-N 3.11Å; R869-H873 VanDerWaalsContact O-CB 3.26Å; R869-H873 WeakPolarHBondContact O-CB 3.44Å; R869-H873 PolarHBondContact O-N 2.81Å; R869-F940 HydrophobicContact CB-CE1 3.92Å; R869-F940 HydrophobicContact CB-CZ 4.33Å
870V94.6Very high91.7Very high1 Ų156.6 Ų56.61%0.00628%0.28CS..Hα-helixtrans-62.2-50175.3173.50000110.3L866 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.18Å; L866-V870 HydrophobicContact CG-CG2 4.49Å; L866-V870 WeakPolarHBondContact O-CG2 3.4Å; L866-V870 PolarHBondContact O-N 3.27Å; V870-R872 PolarHBondContact O-N 2.76Å; V870-H873 PolarHBondContact O-N 2.79Å; V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.25Å; V870-Y874 PolarHBondContact O-N 3.33Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.07Å; V870-F940 HydrophobicContact CG2-CB 4.39Å; V870-F940 HydrophobicContact CG2-CD1 3.85Å; V870-F940 HydrophobicContact CG2-CD2 3.93Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.13Å; V870-F940 HydrophobicContact CG2-CG 3.8Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å
871Q94.6Very high92.4Very high9 Ų956.5 Ų56.54%0.04228%0.275CS..Hα-helixtrans-55.9-54176.8-174.471.733.700111.4F858 M863 G867 E868 H873 Y874 E875 N898F858-Q871 HydrophobicContact CZ-CG 4.48Å; M863-Q871 HydrophobicContact CE-CB 4.19Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3Å; E868-Q871 PolarHBondContact O-N 2.9Å; Q871-H873 VanDerWaalsContact C-N 3.26Å; Q871-H873 PolarHBondContact O-N 2.92Å; Q871-Y874 PolarHBondContact O-N 2.87Å; Q871-E875 PolarHBondContact NE2-OE2 3.16Å; Q871-E875 WeakPolarHBondContact O-CB 3.18Å; Q871-E875 PolarHBondContact O-N 3.11Å; Q871-N898 PolarHBondContact NE2-O 3.48Å
872R93.6Very high93Very high166 Ų16660.4 Ų60.463%0.62630%0.295SS*.Hα-helixtrans-60.6-34.9-178.3-71.2176.5-177.7-163.65112.5E868 V870E868-R872 VanDerWaalsContact CD-NH2 3.29Å; E868-R872 HydrophobicContact CG-CG 4.29Å; E868-R872 WeakPolarHBondContact O-CB 3.35Å; E868-R872 VanDerWaalsContact O-CG 3.28Å; E868-R872 WeakPolarHBondContact O-CG 3.48Å; E868-R872 PolarHBondContact O-N 2.53Å; E868-R872 IonicContact OE1-CZ 2.69Å; E868-R872 VanDerWaalsContact OE1-CZ 3.24Å; E868-R872 IonicContact OE1-NE 3.02Å; E868-R872 PolarHBondContact OE1-NE 3.35Å; E868-R872 VanDerWaalsContact OE1-NE 3.14Å; E868-R872 IonicContact OE1-NH2 2.67Å; E868-R872 PolarHBondContact OE1-NH2 3.09Å; E868-R872 IonicContact OE2-NH2 3.24Å; V870-R872 PolarHBondContact O-N 2.76Å
873H95.3Very high93.2Very high45 Ų4560.4 Ų60.421%0.20830%0.295CS..Hα-helixtrans-70.6-51.3179.7-176.287.2000112.1R869 V870 Q871 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.26Å; R869-H873 WeakPolarHBondContact O-CB 3.44Å; R869-H873 PolarHBondContact O-N 2.81Å; V870-H873 PolarHBondContact O-N 2.79Å; Q871-H873 VanDerWaalsContact C-N 3.26Å; Q871-H873 PolarHBondContact O-N 2.92Å; H873-L876 PolarHBondContact O-N 2.83Å; H873-N879 PolarHBondContact CE1-ND2 2.94Å; H873-N879 WeakPolarHBondContact O-CB 3.28Å; H873-N879 PolarHBondContact O-ND2 2.94Å; H873-F940 HydrophobicContact CB-CE2 3.79Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.78Å
874Y95.5Very high93Very high0 Ų065.1 Ų65.10%033%0.326CS..Hα-helixtrans-83.2-9.9-175.8-71.1-83.4000114.3V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.35Å; V870-Y874 WeakPolarHBondContact O-CD2 3.25Å; V870-Y874 PolarHBondContact O-N 3.33Å; V870-Y874 VanDerWaalsContact O-N 3.08Å; Q871-Y874 PolarHBondContact O-N 2.87Å; Y874-L876 PolarHBondContact O-N 3.18Å; Y874-R880 WeakPolarHBondContact O-CG 3.37Å; Y874-R880 PolarHBondContact O-NE 2.86Å; Y874-V893 HydrophobicContact CD1-CG1 4.38Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.43Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE1-CG1 4.47Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.09Å; Y874-V893 HydrophobicContact CE2-CG2 3.74Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.41Å; Y874-Y900 HydrophobicContact CG-CD1 4.28Å; Y874-Y900 HydrophobicContact CG-CG 4.42Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.1Å; Y874-S935 PolarHBondContact OH-O 3.08Å; Y874-C936 WeakPolarHBondContact OH-CA 3.29Å; Y874-V937 PolarHBondContact OH-N 2.77Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; Y874-F940 HydrophobicContact CD2-CE2 4.43Å; Y874-F940 AromaticContact CE2-CD2 3.9Å; Y874-F940 HydrophobicContact CE2-CD2 3.9Å; Y874-F940 AromaticContact CE2-CE2 3.83Å; Y874-F940 HydrophobicContact CE2-CE2 3.83Å
875E94.1Very high92.8Very high80 Ų8070.4 Ų70.437%0.37435%0.354SS..THydrogen-bonded Turntrans-62.8-27.7166.7-152.966-115.800111.6Q871 R880 K895Q871-E875 PolarHBondContact NE2-OE2 3.16Å; Q871-E875 WeakPolarHBondContact O-CB 3.18Å; Q871-E875 PolarHBondContact O-N 3.11Å; E875-R880 PolarHBondContact O-NH2 2.83Å; E875-R880 IonicContact OE1-NH2 3.81Å; E875-K895 IonicContact OE1-NZ 3.81Å
876L95Very high92.7Very high108 Ų10866.4 Ų66.457%0.56533%0.333SS*.SBendtrans-76.9121.7172.6-59.7174.9000110.8H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 2.83Å; Y874-L876 PolarHBondContact O-N 3.18Å; L876-A878 VanDerWaalsContact C-N 3.28Å; L876-A878 PolarHBondContact O-N 3.16Å; L876-N879 PolarHBondContact O-N 2.71Å
877E91.9Very high92.5Very high146 Ų14669.2 Ų69.268%0.68235%0.351SS*.G310 helixtrans-61.4-35.4-175.5-57.2-153.6136.900113.4N879 R880E877-N879 PolarHBondContact O-N 3.03Å; E877-R880 WeakPolarHBondContact O-CB 3.26Å; E877-R880 PolarHBondContact O-N 2.88Å; E877-R880 IonicContact OE1-CZ 3.28Å; E877-R880 IonicContact OE1-NH1 2.69Å; E877-R880 PolarHBondContact OE1-NH1 2.86Å; E877-R880 IonicContact OE1-NH2 3.69Å
878A93.7Very high92.3Very high84 Ų8472.1 Ų72.169%0.69437%0.367SS*.G310 helixtrans-59.7-16.4175.500000114.3L876 H881L876-A878 VanDerWaalsContact C-N 3.28Å; L876-A878 PolarHBondContact O-N 3.16Å; A878-H881 PolarHBondContact O-CE1 3.1Å
879N93Very high91.9Very high40 Ų4072.9 Ų72.921%0.21438%0.383CS..G310 helixtrans-97.4-9.7177.5-64.7-26.6000113.1H873 L876 E877 H881H873-N879 PolarHBondContact CE1-ND2 2.94Å; H873-N879 WeakPolarHBondContact O-CB 3.28Å; H873-N879 PolarHBondContact O-ND2 2.94Å; L876-N879 PolarHBondContact O-N 2.71Å; E877-N879 PolarHBondContact O-N 3.03Å; N879-H881 PolarHBondContact O-N 3.27Å; N879-H881 PolarHBondContact O-ND1 2.89Å; N879-H881 VanDerWaalsContact O-ND1 3.17Å
880R93.3Very high91.7Very high56 Ų5669.7 Ų69.721%0.21137%0.374CS..  trans-81.554.3-173.6-60-179.2-168.1160.47112.7Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.37Å; Y874-R880 PolarHBondContact O-NE 2.86Å; E875-R880 PolarHBondContact O-NH2 2.83Å; E875-R880 IonicContact OE1-NH2 3.81Å; E877-R880 WeakPolarHBondContact O-CB 3.26Å; E877-R880 PolarHBondContact O-N 2.88Å; E877-R880 IonicContact OE1-CZ 3.28Å; E877-R880 IonicContact OE1-NH1 2.69Å; E877-R880 PolarHBondContact OE1-NH1 2.86Å; E877-R880 IonicContact OE1-NH2 3.69Å; R880-M882 PolarHBondContact O-N 3.41Å; R880-Y900 PolarHBondContact NE-OH 2.73Å; R880-Y900 PolarHBondContact NH2-OH 2.82Å; R880-Y934 HydrophobicContact CB-CD1 4.02Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å
881H93.3Very high91.7Very high115 Ų11572.1 Ų72.153%0.53239%0.386SS..PPolyproline II helixtrans-68.7118.4176.6-58.192000110.3A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 3.1Å; N879-H881 PolarHBondContact O-N 3.27Å; N879-H881 PolarHBondContact O-ND1 2.89Å; N879-H881 VanDerWaalsContact O-ND1 3.17Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 VanDerWaalsContact O-CA 3.22Å; H881-Y934 WeakPolarHBondContact O-CA 3.37Å; H881-S935 PolarHBondContact O-N 3.36Å
882M92.4Very high91.7Very high114 Ų11471.7 Ų71.756%0.56238%0.384SS*.BIsolated β-bridgetrans-58.7141.4173.9-81.4176.946.200111.1R880 P884 L933R880-M882 PolarHBondContact O-N 3.41Å; M882-P884 WeakPolarHBondContact O-CD 3.47Å; M882-L933 WeakPolarHBondContact CA-O 3.34Å
883H90.6Very high91.9Very high13 Ų1363.8 Ų63.86%0.0635%0.354CS..PPolyproline II helixtrans-69.3119.8178-162-63.6000109.9N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 2.81Å; H883-N885 PolarHBondContact ND1-N 2.87Å; H883-P886 HydrophobicContact CB-CG 4.42Å; H883-E890 IonicContact CE1-OE1 3.23Å; H883-E890 IonicContact CE1-OE2 2.71Å; H883-E890 PolarHBondContact CE1-OE2 2.71Å; H883-E890 WeakPolarHBondContact NE2-CG 3.34Å; H883-E890 IonicContact NE2-OE1 3.01Å; H883-E890 PolarHBondContact NE2-OE1 3.18Å; H883-E890 IonicContact NE2-OE2 3.1Å; H883-E890 PolarHBondContact NE2-OE2 3.15Å; H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.89Å; H883-L933 HydrophobicContact CB-CG 4.08Å; H883-L933 PolarHBondContact N-O 2.94Å
884P84.7Confident91.9Very high114 Ų11461.6 Ų61.674%0.7434%0.344SS*.SBendtrans-74.4-31.5-167.428.2-35.3000113.6M882M882-P884 WeakPolarHBondContact O-CD 3.47Å
885N88.1Confident91.8Very high113 Ų11365.2 Ų65.260%0.60436%0.36SS*.SBendtrans-157.790.9178.6-176.832000109H883 V887H883-N885 PolarHBondContact CE1-O 2.81Å; H883-N885 PolarHBondContact ND1-N 2.87Å; N885-V887 PolarHBondContact O-N 2.7Å
886P89.2Confident91.5Very high11 Ų1162.4 Ų62.47%0.07135%0.347CS..  trans-62.5133.6-179.1-20.931.9000111.3H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.42Å; P886-I905 HydrophobicContact CB-CD1 3.82Å; P886-V908 HydrophobicContact CB-CG2 4.31Å; P886-V908 WeakPolarHBondContact O-CG2 3.46Å; P886-V914 HydrophobicContact CB-CG1 3.93Å; P886-V914 HydrophobicContact CG-CG1 4.12Å; P886-T930 HydrophobicContact CG-CG2 3.65Å; P886-L933 HydrophobicContact CB-CD2 3.77Å; P886-L933 HydrophobicContact CG-CD2 3.7Å
887V89.6Confident91Very high70 Ų7063.6 Ų63.642%0.42435%0.353SS..  trans-124.7138.4176.7-176.20000110.2N885 G889 E890 I905N885-V887 PolarHBondContact O-N 2.7Å; V887-G889 PolarHBondContact O-N 3.28Å; V887-E890 WeakPolarHBondContact O-CB 3.33Å; V887-E890 PolarHBondContact O-N 3.31Å; V887-E890 VanDerWaalsContact O-N 3.13Å; V887-I905 WeakPolarHBondContact O-CB 3.33Å; V887-I905 WeakPolarHBondContact O-CD1 3.26Å
888P87.5Confident90.7Very high74 Ų7461.7 Ų61.748%0.48135%0.347SS..THydrogen-bonded Turntrans-54.2132.5173.1-25.936.1000112.1V908P888-V908 HydrophobicContact CG-CG2 4.25Å
889G85.7Confident90.6Very high47 Ų4759.4 Ų59.449%0.48532%0.32SS..THydrogen-bonded Turntrans98.3-21.5-174.500000114.7V887 I905V887-G889 PolarHBondContact O-N 3.28Å; G889-I905 PolarHBondContact N-O 3.26Å
890E90.9Very high90.6Very high57 Ų5757.9 Ų57.927%0.26631%0.312SS..  trans-80149.9-179-177.6178-174.900112.7H883 V887 I905H883-E890 IonicContact CE1-OE1 3.23Å; H883-E890 IonicContact CE1-OE2 2.71Å; H883-E890 PolarHBondContact CE1-OE2 2.71Å; H883-E890 WeakPolarHBondContact NE2-CG 3.34Å; H883-E890 IonicContact NE2-OE1 3.01Å; H883-E890 PolarHBondContact NE2-OE1 3.18Å; H883-E890 IonicContact NE2-OE2 3.1Å; H883-E890 PolarHBondContact NE2-OE2 3.15Å; V887-E890 WeakPolarHBondContact O-CB 3.33Å; V887-E890 PolarHBondContact O-N 3.31Å; V887-E890 VanDerWaalsContact O-N 3.13Å; E890-I905 HydrophobicContact CB-CD1 4.1Å; E890-I905 PolarHBondContact O-N 2.71Å
891M94.1Very high90.7Very high52 Ų5255.5 Ų55.526%0.25630%0.303SS..EExtended strand (participates in β ladder)trans-91.1132.4172.6-80.7-175.1-76.700112.6V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.53Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.47Å; M891-L919 HydrophobicContact CG-CD1 3.96Å; M891-L919 HydrophobicContact SD-CD1 3.79Å; M891-C936 HydrophobicContact CB-CB 4.44Å; M891-C936 WeakPolarHBondContact O-CB 3.39Å; M891-K941 HydrophobicContact CE-CB 4.05Å; M891-K941 HydrophobicContact CE-CG 4.46Å; M891-K941 VanDerWaalsContact CE-O 3.29Å; M891-K941 WeakPolarHBondContact CE-O 3.46Å
892A95.3Very high90.8Very high0 Ų050 Ų500%028%0.278CS..EExtended strand (participates in β ladder)trans-135.1-177.3179.500000110.8R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.26Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 2.9Å; A892-V903 PolarHBondContact O-N 3.09Å; A892-I905 HydrophobicContact CB-CD1 4.32Å; A892-I905 HydrophobicContact CB-CG1 4.46Å; A892-L933 HydrophobicContact CB-CD1 3.7Å; A892-L933 HydrophobicContact CB-CD2 3.81Å; A892-L933 HydrophobicContact CB-CG 3.64Å; A892-Y934 WeakPolarHBondContact CA-O 3.4Å; A892-Y934 WeakPolarHBondContact CB-O 3.28Å
893V96.3Very high90.9Very high0 Ų044.6 Ų44.60%025%0.251CS..EExtended strand (participates in β ladder)trans-129.8140176.21750000110.2Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.38Å; Y874-V893 HydrophobicContact CD2-CG1 3.98Å; Y874-V893 HydrophobicContact CD2-CG2 4.43Å; Y874-V893 HydrophobicContact CE1-CB 4.39Å; Y874-V893 HydrophobicContact CE1-CG1 4.47Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.09Å; Y874-V893 HydrophobicContact CE2-CG2 3.74Å; Y874-V893 HydrophobicContact CG-CG1 4.14Å; V893-Y900 HydrophobicContact CG1-CD1 4.26Å; V893-E901 WeakPolarHBondContact CA-O 3.34Å; V893-R902 HydrophobicContact CG2-CG 4.43Å; V893-Y934 PolarHBondContact N-O 2.94Å; V893-Y934 PolarHBondContact O-N 2.88Å; V893-C936 HydrophobicContact CG2-CB 4.25Å
894V95.3Very high91.1Very high0 Ų045.7 Ų45.70%026%0.256CS..EExtended strand (participates in β ladder)trans-123.1158173.8-61.90000111.4N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.34Å; V894-Y900 WeakPolarHBondContact O-CA 3.2Å; V894-E901 PolarHBondContact N-O 2.68Å; V894-E901 PolarHBondContact O-N 3.05Å; V894-V903 HydrophobicContact CB-CG1 4.45Å; V894-V903 HydrophobicContact CG1-CG1 4.19Å; V894-V903 HydrophobicContact CG1-CG2 4.12Å; V894-V903 HydrophobicContact CG2-CG1 3.59Å; V894-V916 HydrophobicContact CG1-CG2 4.35Å; V894-L918 HydrophobicContact CG2-CD2 4.4Å; V894-Y928 HydrophobicContact CB-CE1 4.25Å; V894-Y928 HydrophobicContact CB-CE2 4.29Å; V894-Y928 HydrophobicContact CG1-CD1 4.44Å; V894-Y928 HydrophobicContact CG1-CD2 4.05Å; V894-Y928 HydrophobicContact CG1-CE2 4.18Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.43Å; V894-Y928 HydrophobicContact CG2-CE2 3.97Å; V894-L933 HydrophobicContact CG1-CD1 3.58Å
895K93.6Very high91.4Very high76 Ų7640.2 Ų40.233%0.3322%0.221SC..EExtended strand (participates in β ladder)trans-93.4105.1166-164.2174.5-164.1149.80110.2E875 R899 Y900E875-K895 IonicContact OE1-NZ 3.81Å; K895-R899 CarbonylContact C-O 3.55Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.29Å; K895-Y900 HydrophobicContact CB-CD1 4.17Å; K895-Y900 HydrophobicContact CB-CE1 3.85Å; K895-Y900 HydrophobicContact CD-CE1 4.06Å; K895-Y900 HydrophobicContact CD-CE2 4.3Å; K895-Y900 WeakPolarHBondContact CD-OH 3.39Å; K895-Y900 HydrophobicContact CG-CD1 4.41Å; K895-Y900 HydrophobicContact CG-CE1 4Å; K895-Y900 HydrophobicContact CG-CE2 4.5Å; K895-Y900 PolarHBondContact NZ-OH 3.01Å
896N88.8Confident91.4Very high20 Ų2037.8 Ų37.811%0.10721%0.21CC..EExtended strand (participates in β ladder)trans-114.4116.6-178.9-175.216.2000110.6V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.34Å; N896-N898 VanDerWaalsContact C-N 3.32Å; N896-N898 PolarHBondContact O-N 3.25Å; N896-R899 PolarHBondContact N-O 3.06Å; N896-R899 WeakPolarHBondContact O-CB 3.36Å; N896-R899 PolarHBondContact O-N 3.05Å; N896-E901 HydrophobicContact CB-CG 4.45Å; N896-E901 VanDerWaalsContact CB-OE2 3.28Å; N896-E901 WeakPolarHBondContact CB-OE2 3.43Å; N896-E901 PolarHBondContact ND2-OE2 3.17Å; N896-Y928 WeakPolarHBondContact CB-OH 3.23Å; N896-Y928 VanDerWaalsContact CG-OH 3.31Å; N896-Y928 PolarHBondContact OD1-OH 3.24Å
897I84.1Confident91.3Very high134 Ų13439.1 Ų39.169%0.68722%0.219SC*.THydrogen-bonded Turntrans43.456.4-179.4-48.3170.1000111.5R899I897-R899 PolarHBondContact O-N 3.49Å; I897-R899 VanDerWaalsContact O-N 3.17Å
898N86.4Confident91.1Very high105 Ų10539 Ų3956%0.56122%0.219SC*.THydrogen-bonded Turntrans62.511-177.9-59.1-30.2000116.8L859 Q871 N896L859-N898 HydrophobicContact CD1-CB 4.04Å; Q871-N898 PolarHBondContact NE2-O 3.48Å; N896-N898 VanDerWaalsContact C-N 3.32Å; N896-N898 PolarHBondContact O-N 3.25Å
899R90.6Very high90.7Very high36 Ų3639.3 Ų39.314%0.13621%0.213CC..EExtended strand (participates in β ladder)trans-108.2148.2171.2-56.6-168.5-58.6-113.52.1111.9F858 F861 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.99Å; F858-R899 HydrophobicContact CE1-CG 4.03Å; F861-R899 VanDerWaalsContact CD2-NH1 3.33Å; F861-R899 VanDerWaalsContact CG-NH1 3.29Å; K895-R899 CarbonylContact C-O 3.55Å; K895-R899 VanDerWaalsContact CA-O 3.28Å; K895-R899 WeakPolarHBondContact CA-O 3.29Å; N896-R899 PolarHBondContact N-O 3.06Å; N896-R899 WeakPolarHBondContact O-CB 3.36Å; N896-R899 PolarHBondContact O-N 3.05Å; I897-R899 PolarHBondContact O-N 3.49Å; I897-R899 VanDerWaalsContact O-N 3.17Å; R899-E901 HydrophobicContact CB-CG 4.09Å; R899-E901 IonicContact CZ-OE1 3.24Å; R899-E901 IonicContact NE-OE1 2.65Å; R899-E901 PolarHBondContact NE-OE1 2.69Å; R899-E901 IonicContact NH2-OE1 3.79Å; R899-E901 PolarHBondContact NH2-OE1 3.38Å
900Y94.1Very high89.7Confident8 Ų840.4 Ų40.43%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-93.7121.5167.1-67.8-81.9000109.5Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.46Å; Y874-Y900 VanDerWaalsContact CB-CG 3.41Å; Y874-Y900 HydrophobicContact CG-CD1 4.28Å; Y874-Y900 HydrophobicContact CG-CG 4.42Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.1Å; R880-Y900 PolarHBondContact NE-OH 2.73Å; R880-Y900 PolarHBondContact NH2-OH 2.82Å; V893-Y900 HydrophobicContact CG1-CD1 4.26Å; V894-Y900 WeakPolarHBondContact O-CA 3.2Å; K895-Y900 HydrophobicContact CB-CD1 4.17Å; K895-Y900 HydrophobicContact CB-CE1 3.85Å; K895-Y900 HydrophobicContact CD-CE1 4.06Å; K895-Y900 HydrophobicContact CD-CE2 4.3Å; K895-Y900 WeakPolarHBondContact CD-OH 3.39Å; K895-Y900 HydrophobicContact CG-CD1 4.41Å; K895-Y900 HydrophobicContact CG-CE1 4Å; K895-Y900 HydrophobicContact CG-CE2 4.5Å; K895-Y900 PolarHBondContact NZ-OH 3.01Å; Y900-Y934 HydrophobicContact CD1-CD2 4.46Å; Y900-Y934 HydrophobicContact CD1-CE2 4.32Å; Y900-Y934 HydrophobicContact CE1-CD2 4.33Å; Y900-Y934 AromaticContact CE1-CE2 3.81Å; Y900-Y934 HydrophobicContact CE1-CE2 3.81Å
901E93.8Very high88.5Confident6 Ų643.5 Ų43.53%0.02823%0.232CC..EExtended strand (participates in β ladder)trans-127.4136-171.5-60-173.814600110.3V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.34Å; V894-E901 PolarHBondContact N-O 2.68Å; V894-E901 PolarHBondContact O-N 3.05Å; N896-E901 HydrophobicContact CB-CG 4.45Å; N896-E901 VanDerWaalsContact CB-OE2 3.28Å; N896-E901 WeakPolarHBondContact CB-OE2 3.43Å; N896-E901 PolarHBondContact ND2-OE2 3.17Å; R899-E901 HydrophobicContact CB-CG 4.09Å; R899-E901 IonicContact CZ-OE1 3.24Å; R899-E901 IonicContact NE-OE1 2.65Å; R899-E901 PolarHBondContact NE-OE1 2.69Å; R899-E901 IonicContact NH2-OE1 3.79Å; R899-E901 PolarHBondContact NH2-OE1 3.38Å; E901-L918 HydrophobicContact CB-CD2 4.47Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.4Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.29Å; E901-T921 WeakPolarHBondContact OE1-CB 3.22Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.41Å; E901-T921 PolarHBondContact OE1-OG1 2.75Å; E901-T921 PolarHBondContact OE2-OG1 2.88Å
902R95.8Very high87.8Confident1 Ų143.9 Ų43.90%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-72.3137.9172.8-56.8-174.2-55.8151.14.7109.7V870 A892 V893 L919 D920 F940 S943 P944V870-R902 HydrophobicContact CG1-CG 4.39Å; V870-R902 HydrophobicContact CG2-CG 4.07Å; A892-R902 WeakPolarHBondContact O-CA 3.26Å; V893-R902 HydrophobicContact CG2-CG 4.43Å; R902-L919 HydrophobicContact CB-CB 4.46Å; R902-L919 HydrophobicContact CB-CD1 4.23Å; R902-L919 PolarHBondContact O-N 3.07Å; R902-L919 VanDerWaalsContact O-N 3.1Å; R902-D920 IonicContact CZ-OD1 2.97Å; R902-D920 IonicContact CZ-OD2 3.39Å; R902-D920 IonicContact NE-OD1 2.74Å; R902-D920 IonicContact NE-OD2 2.74Å; R902-D920 PolarHBondContact NE-OD2 3.32Å; R902-D920 IonicContact NH2-OD1 3.53Å; R902-D920 PolarHBondContact NH2-OD1 3.11Å; R902-D920 IonicContact NH2-OD2 3.64Å; R902-D920 PolarHBondContact NH2-OD2 2.87Å; R902-F940 WeakPolarHBondContact CD-O 3.45Å; R902-F940 PolarHBondContact NH1-O 3.24Å; R902-S943 PolarHBondContact NH1-O 3.08Å; R902-P944 PolarHBondContact NH2-O 3.32Å
903V95.3Very high87.5Confident0 Ų046.1 Ų46.10%026%0.255CS..EExtended strand (participates in β ladder)trans-134.4153.9-178.3-50.60000111M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.53Å; M891-V903 VanDerWaalsContact CA-O 3.3Å; M891-V903 WeakPolarHBondContact CA-O 3.47Å; A892-V903 HydrophobicContact CB-CG2 3.98Å; A892-V903 PolarHBondContact N-O 2.9Å; A892-V903 PolarHBondContact O-N 3.09Å; V894-V903 HydrophobicContact CB-CG1 4.45Å; V894-V903 HydrophobicContact CG1-CG1 4.19Å; V894-V903 HydrophobicContact CG1-CG2 4.12Å; V894-V903 HydrophobicContact CG2-CG1 3.59Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.82Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.7Å; V903-V916 HydrophobicContact CG2-CG1 4.05Å; V903-V916 HydrophobicContact CG2-CG2 3.86Å; V903-Q917 CarbonylContact C-O 3.57Å; V903-Q917 WeakPolarHBondContact CA-O 3.5Å; V903-Q917 WeakPolarHBondContact CB-O 3.4Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; V903-L933 HydrophobicContact CG2-CD1 4.02Å
904H93.2Very high87.2Confident35 Ų3546.1 Ų46.116%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-109.5125.4170.5175.2-66.2000108.7V906 V916 Q917 L919H904-V906 PolarHBondContact O-N 3.38Å; H904-V916 WeakPolarHBondContact O-CA 3.24Å; H904-Q917 PolarHBondContact N-O 3.33Å; H904-Q917 PolarHBondContact O-N 2.74Å; H904-L919 HydrophobicContact CB-CD1 4.3Å; H904-L919 HydrophobicContact CB-CD2 3.94Å; H904-L919 HydrophobicContact CB-CG 4.36Å
905I92.3Very high87.1Confident0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-69.4122.4178.9-59.2155.8000108.2P886 V887 G889 E890 A892 V908 V916 L933P886-I905 HydrophobicContact CB-CD1 3.82Å; V887-I905 WeakPolarHBondContact O-CB 3.33Å; V887-I905 WeakPolarHBondContact O-CD1 3.26Å; G889-I905 PolarHBondContact N-O 3.26Å; E890-I905 HydrophobicContact CB-CD1 4.1Å; E890-I905 PolarHBondContact O-N 2.71Å; A892-I905 HydrophobicContact CB-CD1 4.32Å; A892-I905 HydrophobicContact CB-CG1 4.46Å; I905-V908 HydrophobicContact CG2-CG2 4.08Å; I905-V916 HydrophobicContact CG1-CG1 4.3Å; I905-L933 HydrophobicContact CD1-CD2 3.95Å; I905-L933 HydrophobicContact CG1-CD2 4.17Å
906V88.7Confident87.1Confident62 Ų6244.6 Ų44.638%0.37625%0.25SS..EExtended strand (participates in β ladder)trans-93.5-46.3-178.5-179.30000110.1H904 L915 Q917H904-V906 PolarHBondContact O-N 3.38Å; V906-L915 HydrophobicContact CB-CD2 4.3Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.38Å; V906-L915 HydrophobicContact CG1-CD2 4.18Å; V906-L915 PolarHBondContact N-O 2.97Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å
907S86.3Confident87.3Confident39 Ų3945.2 Ų45.227%0.27325%0.252SS..EExtended strand (participates in β ladder)trans-153.7155.7175.552.30000110.5L915S907-L915 PolarHBondContact N-O 2.88Å; S907-L915 PolarHBondContact O-N 3.41Å; S907-L915 WeakPolarHBondContact OG-CB 3.5Å
908V84.4Confident87.8Confident67 Ų6739 Ų3941%0.40622%0.22SC..EExtended strand (participates in β ladder)trans-111.3123.2172.2-177.20000106.3P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.31Å; P886-V908 WeakPolarHBondContact O-CG2 3.46Å; P888-V908 HydrophobicContact CG-CG2 4.25Å; I905-V908 HydrophobicContact CG2-CG2 4.08Å; V908-V914 HydrophobicContact CG1-CG1 4.19Å; V908-V914 HydrophobicContact CG2-CG1 4.19Å
909E79.9Confident88.1Confident80 Ų8034.2 Ų34.237%0.37420%0.195SC..EExtended strand (participates in β ladder)trans-97.6148.4-179-63.2170.3-171.200109.3N911 A912 M913E909-N911 PolarHBondContact O-N 3.14Å; E909-A912 PolarHBondContact O-N 2.92Å; E909-M913 HydrophobicContact CB-CB 4.27Å; E909-M913 PolarHBondContact N-O 2.79Å
910S65.2Low88.2Confident71 Ų7133 Ų3350%0.49719%0.191SC..THydrogen-bonded Turntrans-51-32.9-176.357.50000114.9E153 A912E153-S910 VanDerWaalsContact CD-CB 3.42Å; E153-S910 VanDerWaalsContact OE1-CB 3.24Å; E153-S910 WeakPolarHBondContact OE1-CB 3.33Å; E153-S910 PolarHBondContact OE1-OG 2.89Å; E153-S910 VanDerWaalsContact OE2-CB 3.27Å; E153-S910 WeakPolarHBondContact OE2-CB 3.48Å; E153-S910 PolarHBondContact OE2-OG 2.65Å; S910-A912 PolarHBondContact O-N 3.42Å
911N65Low87.9Confident122 Ų12233.5 Ų33.565%0.65220%0.195SC*.THydrogen-bonded Turntrans-82.728.8-172.5-66.3-60.5000114.4E909 M913E909-N911 PolarHBondContact O-N 3.14Å; N911-M913 HydrophobicContact CB-CG 4.49Å; N911-M913 PolarHBondContact O-N 2.95Å
912A79.4Confident87.8Confident60 Ų6033.4 Ų33.450%0.49620%0.195SC..THydrogen-bonded Turntrans53.730.4-17200000113.6E909 S910 K929 T930E909-A912 PolarHBondContact O-N 2.92Å; S910-A912 PolarHBondContact O-N 3.42Å; A912-K929 WeakPolarHBondContact O-CA 3.39Å; A912-T930 PolarHBondContact O-N 2.85Å; A912-T930 PolarHBondContact O-OG1 2.88Å
913M89.1Confident87.6Confident46 Ų4634.5 Ų34.523%0.22720%0.202CC..EExtended strand (participates in β ladder)trans-104.6143.2172.8-64.9-61.9-62.600109.1E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.27Å; E909-M913 PolarHBondContact N-O 2.79Å; N911-M913 HydrophobicContact CB-CG 4.49Å; N911-M913 PolarHBondContact O-N 2.95Å; M913-S927 WeakPolarHBondContact CE-OG 3.21Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.03Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; M913-Y928 WeakPolarHBondContact CE-O 3.45Å; M913-K929 HydrophobicContact CE-CG 4.46Å; M913-K929 HydrophobicContact SD-CB 4.33Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å
914V90.4Very high87.3Confident0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-124.4124.7178-72.10000109.1P886 V908 V916 S927 Y928 L933P886-V914 HydrophobicContact CB-CG1 3.93Å; P886-V914 HydrophobicContact CG-CG1 4.12Å; V908-V914 HydrophobicContact CG1-CG1 4.19Å; V908-V914 HydrophobicContact CG2-CG1 4.19Å; V914-V916 HydrophobicContact CB-CG1 4.18Å; V914-V916 HydrophobicContact CG2-CG1 4.04Å; V914-S927 WeakPolarHBondContact O-CA 3.43Å; V914-Y928 WeakPolarHBondContact CG2-O 3.5Å; V914-Y928 PolarHBondContact N-O 2.77Å; V914-Y928 PolarHBondContact O-N 2.77Å; V914-L933 HydrophobicContact CG2-CD1 4.36Å; V914-L933 HydrophobicContact CG2-CD2 4.32Å
915L92.2Very high87.2Confident45 Ų4539.6 Ų39.624%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-85117.6171.9-175.168000107.9V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.3Å; V906-L915 HydrophobicContact CB-CG 4.29Å; V906-L915 WeakPolarHBondContact CB-O 3.38Å; V906-L915 HydrophobicContact CG1-CD2 4.18Å; V906-L915 PolarHBondContact N-O 2.97Å; S907-L915 PolarHBondContact N-O 2.88Å; S907-L915 PolarHBondContact O-N 3.41Å; S907-L915 WeakPolarHBondContact OG-CB 3.5Å; L915-C925 HydrophobicContact CD1-CB 3.83Å; L915-C925 HydrophobicContact CG-CB 4.14Å
916V93.3Very high87.1Confident0 Ų042.8 Ų42.80%025%0.246CC..EExtended strand (participates in β ladder)trans-125138.5-176.2-49.70000110.8V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.35Å; V903-V916 HydrophobicContact CB-CB 3.83Å; V903-V916 HydrophobicContact CB-CG2 3.82Å; V903-V916 HydrophobicContact CG1-CB 4.49Å; V903-V916 HydrophobicContact CG1-CG2 3.93Å; V903-V916 HydrophobicContact CG2-CB 3.7Å; V903-V916 HydrophobicContact CG2-CG1 4.05Å; V903-V916 HydrophobicContact CG2-CG2 3.86Å; H904-V916 WeakPolarHBondContact O-CA 3.24Å; I905-V916 HydrophobicContact CG1-CG1 4.3Å; V914-V916 HydrophobicContact CB-CG1 4.18Å; V914-V916 HydrophobicContact CG2-CG1 4.04Å; V916-C925 CarbonylContact O-C 3.52Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.19Å; V916-F926 PolarHBondContact N-O 2.76Å; V916-F926 PolarHBondContact O-N 2.77Å; V916-Y928 HydrophobicContact CG2-CD2 3.65Å; V916-Y928 HydrophobicContact CG2-CE2 3.93Å; V916-L933 HydrophobicContact CG1-CD1 4.02Å
917Q93.7Very high87.3Confident33 Ų3342.7 Ų42.715%0.15425%0.247CC..EExtended strand (participates in β ladder)trans-93.7128.4174.6-177.1171.849.500109.6V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.57Å; V903-Q917 WeakPolarHBondContact CA-O 3.5Å; V903-Q917 WeakPolarHBondContact CB-O 3.4Å; H904-Q917 PolarHBondContact N-O 3.33Å; H904-Q917 PolarHBondContact O-N 2.74Å; V906-Q917 HydrophobicContact CG2-CB 3.75Å; Q917-T923 PolarHBondContact NE2-O 2.9Å; Q917-E924 WeakPolarHBondContact CA-O 3.06Å
918L94Very high87.5Confident3 Ų342 Ų422%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-66.4146.9172.3-58.5-172.4000110.5V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.4Å; E901-L918 HydrophobicContact CB-CD2 4.47Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.4Å; V903-L918 HydrophobicContact CG1-CD2 3.52Å; L918-S922 CarbonylContact C-O 3.57Å; L918-S922 VanDerWaalsContact C-O 3.26Å; L918-S922 WeakPolarHBondContact CB-O 3.43Å; L918-E924 PolarHBondContact N-O 2.89Å; L918-F926 HydrophobicContact CD1-CD2 3.92Å; L918-F926 HydrophobicContact CD1-CE2 3.48Å; L918-F926 VanDerWaalsContact CD1-CE2 3.48Å; L918-F926 HydrophobicContact CD1-CZ 4.41Å; L918-F926 HydrophobicContact CD2-CD2 4.33Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.81Å
919L93.9Very high87.9Confident5 Ų544.4 Ų44.43%0.02624%0.244CC..SBendtrans-109.8-27.2-176.1-64.7178000114.7M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 3.96Å; M891-L919 HydrophobicContact SD-CD1 3.79Å; R902-L919 HydrophobicContact CB-CB 4.46Å; R902-L919 HydrophobicContact CB-CD1 4.23Å; R902-L919 PolarHBondContact O-N 3.07Å; R902-L919 VanDerWaalsContact O-N 3.1Å; H904-L919 HydrophobicContact CB-CD1 4.3Å; H904-L919 HydrophobicContact CB-CD2 3.94Å; H904-L919 HydrophobicContact CB-CG 4.36Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.3Å; L919-R945 WeakPolarHBondContact O-CB 3.43Å; L919-E946 PolarHBondContact O-N 3.21Å; L919-E946 VanDerWaalsContact O-N 3.16Å; L919-A947 WeakPolarHBondContact O-CB 3.2Å; L919-A947 PolarHBondContact O-N 3.33Å
920D92.3Very high88.3Confident11 Ų1142.3 Ų42.36%0.05924%0.237CC..SBendtrans-121.1-22-166.8-58.3-41.2000114.6L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.4Å; R902-D920 IonicContact CZ-OD1 2.97Å; R902-D920 IonicContact CZ-OD2 3.39Å; R902-D920 IonicContact NE-OD1 2.74Å; R902-D920 IonicContact NE-OD2 2.74Å; R902-D920 PolarHBondContact NE-OD2 3.32Å; R902-D920 IonicContact NH2-OD1 3.53Å; R902-D920 PolarHBondContact NH2-OD1 3.11Å; R902-D920 IonicContact NH2-OD2 3.64Å; R902-D920 PolarHBondContact NH2-OD2 2.87Å; D920-E946 HydrophobicContact CB-CB 4.31Å; D920-E946 PolarHBondContact OD1-N 2.86Å
921T88.4Confident89.5Confident17 Ų1742.2 Ų42.210%0.10424%0.236CC..SBendtrans-121.3-15.5-171.662.40000114.1L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.27Å; F861-T921 HydrophobicContact CE1-CG2 3.52Å; F861-T921 HydrophobicContact CZ-CG2 3.78Å; E901-T921 HydrophobicContact CG-CG2 4.32Å; E901-T921 VanDerWaalsContact OE1-CB 3.29Å; E901-T921 WeakPolarHBondContact OE1-CB 3.22Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.41Å; E901-T921 PolarHBondContact OE1-OG1 2.75Å; E901-T921 PolarHBondContact OE2-OG1 2.88Å
922S91.3Very high90.8Very high4 Ų440.6 Ų40.63%0.02823%0.225CC..  trans-162.8165.6177.5-169.30000107.2Y839 L918 E924 A947Y839-S922 PolarHBondContact OH-OG 3.04Å; L918-S922 CarbonylContact C-O 3.57Å; L918-S922 VanDerWaalsContact C-O 3.26Å; L918-S922 WeakPolarHBondContact CB-O 3.43Å; S922-E924 PolarHBondContact OG-N 2.97Å; S922-E924 PolarHBondContact OG-OE2 3.29Å; S922-A947 WeakPolarHBondContact O-CB 3.41Å
923T91.1Very high91.5Very high25 Ų2537.8 Ų37.815%0.15320%0.201CC..SBendtrans-106.48.1166.559.60000112.6Y839 A845 Q917 A947 D949Y839-T923 WeakPolarHBondContact CE2-OG1 3.41Å; Y839-T923 PolarHBondContact OH-N 3.33Å; Y839-T923 PolarHBondContact OH-OG1 2.69Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; Q917-T923 PolarHBondContact NE2-O 2.9Å; T923-A947 HydrophobicContact CG2-CB 4.08Å; T923-D949 HydrophobicContact CG2-CB 4.44Å
924E89.7Confident91.8Very high80 Ų8037.4 Ų37.437%0.37420%0.198SC..  trans-71.1155.2177.5-80.9165.3145.500113.1Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.14Å; Y839-E924 HydrophobicContact CE1-CG 3.44Å; Y839-E924 VanDerWaalsContact CE1-CG 3.44Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.3Å; Q917-E924 WeakPolarHBondContact CA-O 3.06Å; L918-E924 PolarHBondContact N-O 2.89Å; S922-E924 PolarHBondContact OG-N 2.97Å; S922-E924 PolarHBondContact OG-OE2 3.29Å; E924-F926 HydrophobicContact CB-CD2 4.31Å; E924-F926 HydrophobicContact CB-CE2 3.51Å; E924-F926 HydrophobicContact CB-CZ 3.86Å
925C90.3Very high91.9Very high61 Ų6139.1 Ų39.141%0.41221%0.209SC..EExtended strand (participates in β ladder)trans-99.8138.9170.6-56.50000110.7L915 V916L915-C925 HydrophobicContact CD1-CB 3.83Å; L915-C925 HydrophobicContact CG-CB 4.14Å; V916-C925 CarbonylContact O-C 3.52Å; V916-C925 VanDerWaalsContact O-CA 3.24Å; V916-C925 WeakPolarHBondContact O-CA 3.19Å
926F90.6Very high92Very high68 Ų6837.2 Ų37.230%0.29820%0.2SC..EExtended strand (participates in β ladder)trans-130.7145.8178.1-64.1-90.1000109.6V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 2.76Å; V916-F926 PolarHBondContact O-N 2.77Å; L918-F926 HydrophobicContact CD1-CD2 3.92Å; L918-F926 HydrophobicContact CD1-CE2 3.48Å; L918-F926 VanDerWaalsContact CD1-CE2 3.48Å; L918-F926 HydrophobicContact CD1-CZ 4.41Å; L918-F926 HydrophobicContact CD2-CD2 4.33Å; L918-F926 HydrophobicContact CG-CD2 3.82Å; L918-F926 HydrophobicContact CG-CE2 3.81Å; E924-F926 HydrophobicContact CB-CD2 4.31Å; E924-F926 HydrophobicContact CB-CE2 3.51Å; E924-F926 HydrophobicContact CB-CZ 3.86Å; F926-Y928 HydrophobicContact CB-CD2 4.08Å; F926-Y928 HydrophobicContact CB-CE2 3.55Å; F926-Y928 HydrophobicContact CG-CE2 4.45Å
927S92Very high92Very high59 Ų5939.4 Ų39.441%0.41321%0.213SC..EExtended strand (participates in β ladder)trans-94.9124.4174.9-170.10000109.6M913 V914M913-S927 WeakPolarHBondContact CE-OG 3.21Å; V914-S927 WeakPolarHBondContact O-CA 3.43Å
928Y92Very high91.7Very high26 Ų2643.2 Ų43.210%0.10223%0.231CC..EExtended strand (participates in β ladder)trans-123.3157.7177.7-74.7-89.2000110.2V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.25Å; V894-Y928 HydrophobicContact CB-CE2 4.29Å; V894-Y928 HydrophobicContact CG1-CD1 4.44Å; V894-Y928 HydrophobicContact CG1-CD2 4.05Å; V894-Y928 HydrophobicContact CG1-CE2 4.18Å; V894-Y928 HydrophobicContact CG1-CG 4.17Å; V894-Y928 HydrophobicContact CG2-CE1 4.43Å; V894-Y928 HydrophobicContact CG2-CE2 3.97Å; N896-Y928 WeakPolarHBondContact CB-OH 3.23Å; N896-Y928 VanDerWaalsContact CG-OH 3.31Å; N896-Y928 PolarHBondContact OD1-OH 3.24Å; M913-Y928 CarbonylContact C-O 3.56Å; M913-Y928 WeakPolarHBondContact CA-O 3.03Å; M913-Y928 VanDerWaalsContact CE-C 3.42Å; M913-Y928 WeakPolarHBondContact CE-O 3.45Å; V914-Y928 WeakPolarHBondContact CG2-O 3.5Å; V914-Y928 PolarHBondContact N-O 2.77Å; V914-Y928 PolarHBondContact O-N 2.77Å; V916-Y928 HydrophobicContact CG2-CD2 3.65Å; V916-Y928 HydrophobicContact CG2-CE2 3.93Å; F926-Y928 HydrophobicContact CB-CD2 4.08Å; F926-Y928 HydrophobicContact CB-CE2 3.55Å; F926-Y928 HydrophobicContact CG-CE2 4.45Å; Y928-Q932 HydrophobicContact CD1-CB 4.29Å
929K92Very high91.5Very high117 Ų11747.9 Ų47.951%0.50926%0.255SS..EExtended strand (participates in β ladder)trans-70.8146.3167.1-65.7180177.9-173.60109.6A912 M913 S931 Q932A912-K929 WeakPolarHBondContact O-CA 3.39Å; M913-K929 HydrophobicContact CE-CG 4.46Å; M913-K929 HydrophobicContact SD-CB 4.33Å; M913-K929 HydrophobicContact SD-CG 3.56Å; M913-K929 VanDerWaalsContact SD-CG 3.56Å; K929-S931 PolarHBondContact O-N 2.85Å; K929-S931 VanDerWaalsContact O-N 3.11Å; K929-Q932 HydrophobicContact CB-CG 4.17Å; K929-Q932 WeakPolarHBondContact O-CB 3.42Å; K929-Q932 PolarHBondContact O-N 3.31Å
930T89.3Confident91.4Very high35 Ų3547.8 Ų47.822%0.21525%0.254CS..G310 helixtrans-52.8-33.8172.6-62.30000112.4P886 A912 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.65Å; A912-T930 PolarHBondContact O-N 2.85Å; A912-T930 PolarHBondContact O-OG1 2.88Å; T930-Q932 PolarHBondContact O-N 3.33Å; T930-L933 WeakPolarHBondContact O-CB 3.41Å; T930-L933 PolarHBondContact O-N 2.8Å; T930-L933 VanDerWaalsContact O-N 3.15Å
931S89.5Confident91.2Very high69 Ų6949.8 Ų49.848%0.48326%0.262SS..G310 helixtrans-69.7-9.817657.70000115.6K929K929-S931 PolarHBondContact O-N 2.85Å; K929-S931 VanDerWaalsContact O-N 3.11Å
932Q91.7Very high91.1Very high89 Ų8955.6 Ų55.642%0.41629%0.293SS..G310 helixtrans-99.30.3175.3-61.6171.7-47.500112.2Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.29Å; K929-Q932 HydrophobicContact CB-CG 4.17Å; K929-Q932 WeakPolarHBondContact O-CB 3.42Å; K929-Q932 PolarHBondContact O-N 3.31Å; T930-Q932 PolarHBondContact O-N 3.33Å
933L94.2Very high91Very high0 Ų056.7 Ų56.70%030%0.301CS..EExtended strand (participates in β ladder)trans-97.5127.4-179.4-157.274.2000109.9M882 H883 P886 A892 V894 V903 I905 V914 V916 T930M882-L933 WeakPolarHBondContact CA-O 3.34Å; H883-L933 HydrophobicContact CB-CB 4.14Å; H883-L933 HydrophobicContact CB-CD2 3.89Å; H883-L933 HydrophobicContact CB-CG 4.08Å; H883-L933 PolarHBondContact N-O 2.94Å; P886-L933 HydrophobicContact CB-CD2 3.77Å; P886-L933 HydrophobicContact CG-CD2 3.7Å; A892-L933 HydrophobicContact CB-CD1 3.7Å; A892-L933 HydrophobicContact CB-CD2 3.81Å; A892-L933 HydrophobicContact CB-CG 3.64Å; V894-L933 HydrophobicContact CG1-CD1 3.58Å; V903-L933 HydrophobicContact CG2-CD1 4.02Å; I905-L933 HydrophobicContact CD1-CD2 3.95Å; I905-L933 HydrophobicContact CG1-CD2 4.17Å; V914-L933 HydrophobicContact CG2-CD1 4.36Å; V914-L933 HydrophobicContact CG2-CD2 4.32Å; V916-L933 HydrophobicContact CG1-CD1 4.02Å; T930-L933 WeakPolarHBondContact O-CB 3.41Å; T930-L933 PolarHBondContact O-N 2.8Å; T930-L933 VanDerWaalsContact O-N 3.15Å
934Y95.3Very high91.1Very high39 Ų3958.3 Ų58.315%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-107146.7175.8-53.6-66.2000111R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4.02Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; H881-Y934 CarbonylContact O-C 3.55Å; H881-Y934 VanDerWaalsContact O-CA 3.22Å; H881-Y934 WeakPolarHBondContact O-CA 3.37Å; A892-Y934 WeakPolarHBondContact CA-O 3.4Å; A892-Y934 WeakPolarHBondContact CB-O 3.28Å; V893-Y934 PolarHBondContact N-O 2.94Å; V893-Y934 PolarHBondContact O-N 2.88Å; Y900-Y934 HydrophobicContact CD1-CD2 4.46Å; Y900-Y934 HydrophobicContact CD1-CE2 4.32Å; Y900-Y934 HydrophobicContact CE1-CD2 4.33Å; Y900-Y934 AromaticContact CE1-CE2 3.81Å; Y900-Y934 HydrophobicContact CE1-CE2 3.81Å; Y934-C936 PolarHBondContact O-N 3.08Å
935S94.1Very high91.2Very high35 Ų3556.6 Ų56.625%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-62.2126.1172.5-64.20000110.6Y874 H881Y874-S935 PolarHBondContact OH-O 3.08Å; H881-S935 PolarHBondContact O-N 3.36Å
936C94.4Very high91.4Very high6 Ų654 Ų544%0.04128%0.283CS..PPolyproline II helixtrans-71.7127.4170.9-166.20000108.9Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.29Å; M891-C936 HydrophobicContact CB-CB 4.44Å; M891-C936 WeakPolarHBondContact O-CB 3.39Å; V893-C936 HydrophobicContact CG2-CB 4.25Å; Y934-C936 PolarHBondContact O-N 3.08Å; C936-K941 HydrophobicContact CB-CG 4.11Å; C936-K941 WeakPolarHBondContact O-CE 3.28Å
937V92.4Very high91.6Very high45 Ų4550.8 Ų50.827%0.27327%0.269SS..PPolyproline II helixtrans-77.1145.5174.2-69.10000110.9Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 2.77Å; Y874-V937 VanDerWaalsContact OH-N 3.15Å; V937-I939 HydrophobicContact CB-CG1 4.27Å; V937-I939 HydrophobicContact CG2-CD1 4.06Å; V937-I939 HydrophobicContact CG2-CG1 3.56Å; V937-I939 PolarHBondContact O-N 3.38Å; V937-I939 VanDerWaalsContact O-N 3.1Å; V937-F940 HydrophobicContact CG2-CD2 3.29Å; V937-F940 HydrophobicContact CG2-CE2 3.54Å; V937-F940 HydrophobicContact CG2-CG 4.13Å; V937-F940 PolarHBondContact O-N 3.17Å; V937-K941 PolarHBondContact O-N 3.05Å
938E88.2Confident91.7Very high113 Ų11348 Ų4853%0.52825%0.25SC..Hα-helixtrans-51.9-39.1-171.9-61.6-53.6134.100113.8F940 K941 D942E938-F940 PolarHBondContact O-N 2.9Å; E938-K941 PolarHBondContact O-N 2.86Å; E938-K941 WeakPolarHBondContact OE1-CE 3.39Å; E938-K941 IonicContact OE1-NZ 2.69Å; E938-K941 PolarHBondContact OE1-NZ 2.8Å; E938-K941 WeakPolarHBondContact OE2-CD 3.35Å; E938-K941 IonicContact OE2-NZ 3.93Å; E938-D942 PolarHBondContact O-N 2.84Å
939I88.3Confident91.9Very high102 Ų10247.3 Ų47.352%0.52325%0.248SC..Hα-helixtrans-55.2-17176.161.8166.7000114.8V937V937-I939 HydrophobicContact CB-CG1 4.27Å; V937-I939 HydrophobicContact CG2-CD1 4.06Å; V937-I939 HydrophobicContact CG2-CG1 3.56Å; V937-I939 PolarHBondContact O-N 3.38Å; V937-I939 VanDerWaalsContact O-N 3.1Å
940F92.2Very high92.1Very high3 Ų341.8 Ų41.81%0.01322%0.224CC..Hα-helixtrans-111.7-11.4176.3-57.6-37.7000113.4L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.94Å; R869-F940 HydrophobicContact CB-CE1 3.92Å; R869-F940 HydrophobicContact CB-CZ 4.33Å; V870-F940 HydrophobicContact CG2-CB 4.39Å; V870-F940 HydrophobicContact CG2-CD1 3.85Å; V870-F940 HydrophobicContact CG2-CD2 3.93Å; V870-F940 HydrophobicContact CG2-CE1 4.05Å; V870-F940 HydrophobicContact CG2-CE2 4.13Å; V870-F940 HydrophobicContact CG2-CG 3.8Å; V870-F940 HydrophobicContact CG2-CZ 4.19Å; H873-F940 HydrophobicContact CB-CE2 3.79Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.86Å; H873-F940 AromaticContact CG-CE2 3.78Å; Y874-F940 HydrophobicContact CD2-CE2 4.43Å; Y874-F940 AromaticContact CE2-CD2 3.9Å; Y874-F940 HydrophobicContact CE2-CD2 3.9Å; Y874-F940 AromaticContact CE2-CE2 3.83Å; Y874-F940 HydrophobicContact CE2-CE2 3.83Å; R902-F940 WeakPolarHBondContact CD-O 3.45Å; R902-F940 PolarHBondContact NH1-O 3.24Å; V937-F940 HydrophobicContact CG2-CD2 3.29Å; V937-F940 HydrophobicContact CG2-CE2 3.54Å; V937-F940 HydrophobicContact CG2-CG 4.13Å; V937-F940 PolarHBondContact O-N 3.17Å; E938-F940 PolarHBondContact O-N 2.9Å
941K88.8Confident92.5Very high52 Ų5241.1 Ų41.123%0.22622%0.218CC..Hα-helixtrans-75.7-38.6173.3-67.3-169.6-169.6164.60111.7M891 C936 V937 E938 S943M891-K941 HydrophobicContact CE-CB 4.05Å; M891-K941 HydrophobicContact CE-CG 4.46Å; M891-K941 VanDerWaalsContact CE-O 3.29Å; M891-K941 WeakPolarHBondContact CE-O 3.46Å; C936-K941 HydrophobicContact CB-CG 4.11Å; C936-K941 WeakPolarHBondContact O-CE 3.28Å; V937-K941 PolarHBondContact O-N 3.05Å; E938-K941 PolarHBondContact O-N 2.86Å; E938-K941 WeakPolarHBondContact OE1-CE 3.39Å; E938-K941 IonicContact OE1-NZ 2.69Å; E938-K941 PolarHBondContact OE1-NZ 2.8Å; E938-K941 WeakPolarHBondContact OE2-CD 3.35Å; E938-K941 IonicContact OE2-NZ 3.93Å; K941-S943 PolarHBondContact O-N 3.4Å
942D86.3Confident92.8Very high140 Ų14038.1 Ų38.175%0.74920%0.196SC*.SBendtrans-67.4-15.5-178.7-65.1-26.2000114.3E938E938-D942 PolarHBondContact O-N 2.84Å
943S89.6Confident93Very high27 Ų2735 Ų3519%0.18918%0.182CC..SBendtrans-83.4135.7-177.3-62.30000111.8L866 R902 K941L866-S943 VanDerWaalsContact CD2-CB 3.5Å; R902-S943 PolarHBondContact NH1-O 3.08Å; K941-S943 PolarHBondContact O-N 3.4Å
944P91.8Very high93Very high58 Ų5835 Ų3538%0.37718%0.182SC..PPolyproline II helixtrans-62.5164.117728.7-36.2000111.9F852 R902F852-P944 HydrophobicContact CE1-CG 3.96Å; F852-P944 HydrophobicContact CZ-CG 4.04Å; R902-P944 PolarHBondContact NH2-O 3.32Å
945R92.6Very high93Very high44 Ų4433.1 Ų33.117%0.16617%0.174CC..PPolyproline II helixtrans-72.3140.6173.365.7-177.268.9-146.4-2110.3H824 Y825 L919H824-R945 WeakPolarHBondContact NE2-CG 3.39Å; H824-R945 PolarHBondContact NE2-O 2.78Å; Y825-R945 HydrophobicContact CE2-CG 4.39Å; L919-R945 HydrophobicContact CB-CB 4.19Å; L919-R945 HydrophobicContact CD2-CB 4.3Å; L919-R945 WeakPolarHBondContact O-CB 3.43Å
946E94Very high92.9Very high6 Ų631.4 Ų31.43%0.02816%0.163CC..  trans-96.2-25.3179.2-61.1-170-177.400114.4R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.47Å; R847-E946 HydrophobicContact CG-CB 4.23Å; R847-E946 IonicContact CZ-OE2 2.71Å; R847-E946 IonicContact NE-OE2 2.75Å; R847-E946 IonicContact NH1-OE2 3Å; R847-E946 PolarHBondContact NH1-OE2 3.06Å; F852-E946 HydrophobicContact CB-CG 4.25Å; F852-E946 HydrophobicContact CD1-CG 3.82Å; F852-E946 HydrophobicContact CD2-CB 4.47Å; F852-E946 HydrophobicContact CD2-CG 4.46Å; F852-E946 HydrophobicContact CE1-CG 4.3Å; F852-E946 HydrophobicContact CG-CB 4.3Å; F852-E946 HydrophobicContact CG-CG 3.91Å; S864-E946 WeakPolarHBondContact CB-OE1 3.49Å; S864-E946 WeakPolarHBondContact CB-OE2 3.37Å; S864-E946 PolarHBondContact OG-OE1 2.9Å; S864-E946 PolarHBondContact OG-OE2 2.98Å; L866-E946 WeakPolarHBondContact CB-OE1 3.39Å; L919-E946 PolarHBondContact O-N 3.21Å; L919-E946 VanDerWaalsContact O-N 3.16Å; D920-E946 HydrophobicContact CB-CB 4.31Å; D920-E946 PolarHBondContact OD1-N 2.86Å
947A94.6Very high92.7Very high1 Ų131.5 Ų31.51%0.00816%0.163CC..  trans-88.1125.5178.200000110.8L836 L919 S922 T923L836-A947 HydrophobicContact CD1-CB 3.87Å; L919-A947 WeakPolarHBondContact O-CB 3.2Å; L919-A947 PolarHBondContact O-N 3.33Å; S922-A947 WeakPolarHBondContact O-CB 3.41Å; T923-A947 HydrophobicContact CG2-CB 4.08Å
948M95.4Very high92.2Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-120.1139.9179.2-56.3-178.6176.300109.8Y825 A845 V846 L848 F852 I1000Y825-M948 HydrophobicContact CD1-SD 4.42Å; Y825-M948 HydrophobicContact CD2-CE 3.81Å; Y825-M948 HydrophobicContact CD2-CG 4.45Å; Y825-M948 HydrophobicContact CD2-SD 4.17Å; Y825-M948 HydrophobicContact CE1-CB 4.09Å; Y825-M948 HydrophobicContact CE1-CG 4.1Å; Y825-M948 HydrophobicContact CE1-SD 4.4Å; Y825-M948 HydrophobicContact CE2-CE 3.94Å; Y825-M948 HydrophobicContact CE2-CG 3.86Å; Y825-M948 HydrophobicContact CE2-SD 4.17Å; Y825-M948 HydrophobicContact CG-CE 4.41Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; A845-M948 WeakPolarHBondContact CA-O 3.36Å; V846-M948 HydrophobicContact CG2-CB 4.32Å; V846-M948 PolarHBondContact N-O 2.86Å; V846-M948 PolarHBondContact O-N 3.25Å; L848-M948 HydrophobicContact CD1-CE 3.75Å; L848-M948 HydrophobicContact CD1-SD 3.59Å; L848-M948 VanDerWaalsContact CD1-SD 3.59Å; L848-M948 HydrophobicContact CD2-SD 4.35Å; L848-M948 HydrophobicContact CG-CE 4.16Å; L848-M948 HydrophobicContact CG-SD 3.7Å; F852-M948 HydrophobicContact CE2-CE 3.99Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.44Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å
949D95.6Very high92Very high13 Ų1328.8 Ų28.87%0.0715%0.151CC..EExtended strand (participates in β ladder)trans-79.9121.7171.8-177.46.8000109.1S843 T923 R951 I1000S843-D949 PolarHBondContact OG-OD1 3.27Å; T923-D949 HydrophobicContact CG2-CB 4.44Å; D949-R951 WeakPolarHBondContact OD1-CG 3.5Å; D949-R951 IonicContact OD1-NE 2.73Å; D949-R951 PolarHBondContact OD1-NE 2.93Å; D949-R951 IonicContact OD2-CZ 3.63Å; D949-R951 IonicContact OD2-NE 3.23Å; D949-R951 PolarHBondContact OD2-NE 2.98Å; D949-R951 IonicContact OD2-NH2 2.82Å; D949-R951 PolarHBondContact OD2-NH2 2.88Å; D949-I1000 PolarHBondContact O-N 2.85Å
950L97.1Very high92Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-116.3123.4179.7-175.172.4000109.1I831 F833 S843 L844 V846 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 4.05Å; F833-L950 HydrophobicContact CD1-CD2 4.35Å; F833-L950 HydrophobicContact CD2-CD2 4.28Å; F833-L950 HydrophobicContact CE1-CD2 3.74Å; F833-L950 HydrophobicContact CE2-CD2 3.65Å; F833-L950 HydrophobicContact CZ-CD2 3.33Å; S843-L950 WeakPolarHBondContact CA-O 3.34Å; L844-L950 PolarHBondContact N-O 3.31Å; L844-L950 PolarHBondContact O-N 2.98Å; V846-L950 HydrophobicContact CG1-CB 3.88Å; V846-L950 HydrophobicContact CG1-CD2 3.83Å; V846-L950 HydrophobicContact CG2-CB 3.77Å; V846-L950 HydrophobicContact CG2-CD2 4.2Å; V846-L950 HydrophobicContact CG2-CG 4.49Å; L950-I1000 WeakPolarHBondContact CA-O 3.3Å; L950-I1000 HydrophobicContact CD1-CB 3.79Å; L950-I1000 HydrophobicContact CD1-CG2 3.62Å; L950-V1002 HydrophobicContact CD1-CG1 3.68Å; L950-V1002 HydrophobicContact CD1-CG2 4.08Å; L950-V1002 HydrophobicContact CG-CG2 4.23Å; L950-I1005 HydrophobicContact CD2-CD1 3.66Å; L950-I1005 HydrophobicContact CD2-CG1 4.25Å; L950-I1005 HydrophobicContact CG-CD1 4.36Å
951R96.4Very high91.7Very high22 Ų2227.3 Ų27.38%0.08315%0.145CC..EExtended strand (participates in β ladder)trans-123.7139.6-176.9-58-168.9-174.4-154-2.2112.8H795 A799 A842 D949 L953 T999 I1000 F1001 V1002H795-R951 PolarHBondContact NE2-NH2 3.36Å; A799-R951 VanDerWaalsContact CB-NH1 3.31Å; A842-R951 VanDerWaalsContact O-CA 3.25Å; A842-R951 WeakPolarHBondContact O-CA 3.3Å; D949-R951 WeakPolarHBondContact OD1-CG 3.5Å; D949-R951 IonicContact OD1-NE 2.73Å; D949-R951 PolarHBondContact OD1-NE 2.93Å; D949-R951 IonicContact OD2-CZ 3.63Å; D949-R951 IonicContact OD2-NE 3.23Å; D949-R951 PolarHBondContact OD2-NE 2.98Å; D949-R951 IonicContact OD2-NH2 2.82Å; D949-R951 PolarHBondContact OD2-NH2 2.88Å; R951-L953 PolarHBondContact O-N 3.11Å; R951-T999 HydrophobicContact CB-CG2 4.29Å; R951-T999 HydrophobicContact CG-CG2 3.72Å; R951-I1000 PolarHBondContact N-O 3.02Å; R951-F1001 HydrophobicContact CB-CD1 4.16Å; R951-F1001 HydrophobicContact CB-CE1 4.21Å; R951-V1002 WeakPolarHBondContact O-CG2 3.26Å; R951-V1002 PolarHBondContact O-N 3.45Å
952I96.6Very high91.7Very high6 Ų625.5 Ų25.53%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-79.8117169.6-59.5-179.9000108.1A842 G954 L955 V1002 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 3.36Å; I952-G954 PolarHBondContact O-N 2.71Å; I952-L955 HydrophobicContact CB-CB 4.04Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.92Å; I952-L955 HydrophobicContact CG2-CB 3.72Å; I952-L955 HydrophobicContact CG2-CD2 3.85Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 3.5Å; I952-V1002 WeakPolarHBondContact CA-O 3.28Å; I952-V1002 HydrophobicContact CG1-CG2 4.49Å; I952-I1005 HydrophobicContact CD1-CD1 4.44Å; I952-I1005 HydrophobicContact CG1-CD1 4.25Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; I952-L1013 HydrophobicContact CD1-CD2 3.98Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; I952-L1014 HydrophobicContact CG2-CD1 4.23Å
953L95.6Very high91.7Very high22 Ų2224.9 Ų24.912%0.11513%0.132CC..THydrogen-bonded Turntrans-60.5126.3-174-175.667.5000111.8R951 L955 F1001 V1002 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 3.11Å; L953-L955 PolarHBondContact O-N 3.46Å; L953-L955 VanDerWaalsContact O-N 3.15Å; L953-F1001 HydrophobicContact CD1-CB 4.29Å; L953-F1001 HydrophobicContact CD1-CD1 3.91Å; L953-F1001 HydrophobicContact CD1-CG 4.31Å; L953-V1002 WeakPolarHBondContact CB-O 3.46Å; L953-V1002 PolarHBondContact N-O 2.99Å; L953-C1029 HydrophobicContact CD1-CB 4.17Å; L953-C1029 HydrophobicContact CG-CB 4.39Å; L953-Q1030 HydrophobicContact CD2-CB 4.19Å; L953-L1033 HydrophobicContact CD1-CD1 3.74Å
954G93.6Very high91.6Very high0 Ų025 Ų250%013%0.128CC..THydrogen-bonded Turntrans72.1-6.3177.600000116.3I952 Q956 Q1025 D1026 C1029I952-G954 PolarHBondContact O-N 2.71Å; G954-Q956 PolarHBondContact O-N 3.38Å; G954-Q1025 WeakPolarHBondContact O-CA 3.39Å; G954-D1026 PolarHBondContact O-N 3.1Å; G954-C1029 PolarHBondContact N-SG 3.35Å
955L95.4Very high91.1Very high0 Ų024.2 Ų24.20%012%0.123CC..EExtended strand (participates in β ladder)trans-78.5111.7-176.5-17961.4000111.3A842 I952 L953 W964 L1014 V1017 I1018A842-L955 HydrophobicContact CB-CB 4.05Å; A842-L955 HydrophobicContact CB-CD2 3.97Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.27Å; A842-L955 WeakPolarHBondContact CB-O 3.4Å; I952-L955 HydrophobicContact CB-CB 4.04Å; I952-L955 HydrophobicContact CB-CD2 3.99Å; I952-L955 HydrophobicContact CD1-CD2 3.92Å; I952-L955 HydrophobicContact CG2-CB 3.72Å; I952-L955 HydrophobicContact CG2-CD2 3.85Å; I952-L955 HydrophobicContact CG2-CG 4.43Å; I952-L955 PolarHBondContact O-N 3.5Å; L953-L955 PolarHBondContact O-N 3.46Å; L953-L955 VanDerWaalsContact O-N 3.15Å; L955-W964 HydrophobicContact CD1-CH2 4.44Å; L955-W964 HydrophobicContact CD1-CZ2 4.41Å; L955-W964 HydrophobicContact CG-CH2 4.49Å; L955-W964 HydrophobicContact CG-CZ2 4.06Å; L955-L1014 HydrophobicContact CD1-CD1 3.87Å; L955-L1014 HydrophobicContact CD2-CD1 3.88Å; L955-L1014 HydrophobicContact CG-CD1 4.29Å; L955-V1017 HydrophobicContact CD1-CG1 4.37Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; L955-I1018 HydrophobicContact CD1-CG1 4.48Å
956Q92Very high90.6Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-135.9154.6-176.463.6-170.2-40.200111.1F800 G954 S1023 H1024F800-Q956 HydrophobicContact CE1-CB 3.92Å; F800-Q956 HydrophobicContact CZ-CB 4.08Å; G954-Q956 PolarHBondContact O-N 3.38Å; Q956-S1023 CarbonylContact O-C 3.46Å; Q956-S1023 VanDerWaalsContact O-CA 3.28Å; Q956-S1023 WeakPolarHBondContact O-CA 3.22Å; Q956-S1023 WeakPolarHBondContact O-CB 3.49Å; Q956-H1024 HydrophobicContact CG-CB 4.45Å; Q956-H1024 WeakPolarHBondContact CG-O 3.35Å; Q956-H1024 PolarHBondContact N-O 3.44Å; Q956-H1024 PolarHBondContact NE2-CD2 3.05Å; Q956-H1024 PolarHBondContact O-N 2.92Å
957P89.4Confident89.8Confident8 Ų827 Ų275%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-73.1161.3172.732.1-30.9000110.2S959 R962 W964P957-S959 PolarHBondContact O-N 2.84Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; P957-W964 HydrophobicContact CB-CD2 3.96Å; P957-W964 HydrophobicContact CB-CE3 4.01Å; P957-W964 HydrophobicContact CB-CG 4.45Å; P957-W964 HydrophobicContact CB-CZ3 4.35Å; P957-W964 HydrophobicContact CG-CD2 4.12Å; P957-W964 HydrophobicContact CG-CG 4.19Å
958E82.8Confident89.3Confident66 Ų6627 Ų2731%0.30814%0.141SC..SBendtrans-73.658.3175.4-69.8-177.2157.500112.8M761 R1022M761-E958 HydrophobicContact CE-CB 3.78Å; M761-E958 HydrophobicContact CE-CG 4.1Å; E958-R1022 HydrophobicContact CB-CB 4.2Å; E958-R1022 HydrophobicContact CG-CB 4.22Å; E958-R1022 PolarHBondContact N-O 3.29Å; E958-R1022 VanDerWaalsContact OE2-CB 3.32Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.46Å
959S85.1Confident89Confident34 Ų3430.6 Ų30.624%0.23816%0.155CC..SBendtrans-146.1149176.469.20000111.8P957 D961 R962P957-S959 PolarHBondContact O-N 2.84Å; S959-D961 VanDerWaalsContact C-N 3.34Å; S959-R962 PolarHBondContact O-N 3.29Å; S959-R962 PolarHBondContact OG-N 2.93Å
960L87.6Confident88.5Confident1 Ų132.7 Ų32.71%0.00517%0.166CC..THydrogen-bonded Turntrans-70.1-30.7178.1-61.8-171.4000112.8W754 C757 D758 M761 L772 Q796 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.9Å; W754-L960 HydrophobicContact CG-CD1 4.2Å; W754-L960 HydrophobicContact CH2-CD1 4.47Å; W754-L960 HydrophobicContact CZ2-CB 3.93Å; W754-L960 HydrophobicContact CZ2-CD1 3.82Å; W754-L960 HydrophobicContact CZ2-CG 4.47Å; C757-L960 HydrophobicContact CB-CD1 3.84Å; C757-L960 HydrophobicContact CB-CD2 4.22Å; D758-L960 HydrophobicContact CB-CD1 3.89Å; M761-L960 HydrophobicContact CG-CD2 4.13Å; L772-L960 HydrophobicContact CD2-CD2 3.63Å; Q796-L960 PolarHBondContact NE2-O 2.92Å; Q796-L960 VanDerWaalsContact NE2-O 3.11Å; L804-L960 HydrophobicContact CD1-CD2 4.48Å; L960-R962 PolarHBondContact O-N 3.49Å
961D84.8Confident87.9Confident73 Ų7334 Ų3439%0.3917%0.173SC..THydrogen-bonded Turntrans-71.3-17.3175.2-58.5-46.2000112.3Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 3.12Å; S959-D961 VanDerWaalsContact C-N 3.34Å; D961-I963 HydrophobicContact CB-CD1 4.12Å; D961-I963 HydrophobicContact CB-CG1 4.08Å; D961-I963 PolarHBondContact O-N 3.09Å
962R89.3Confident87.6Confident15 Ų1533 Ų336%0.05717%0.169CC..  trans57.425.6180-59.8174.2166159.4-25.1114.2F800 D802 P957 S959 L960F800-R962 VanDerWaalsContact CD2-CD 3.46Å; F800-R962 HydrophobicContact CE2-CB 4.13Å; F800-R962 VanDerWaalsContact CE2-CD 3.48Å; F800-R962 HydrophobicContact CE2-CG 4.41Å; D802-R962 PolarHBondContact O-NH1 2.84Å; D802-R962 VanDerWaalsContact O-NH1 3.11Å; D802-R962 IonicContact OD1-CZ 3.58Å; D802-R962 IonicContact OD1-NH1 3.21Å; D802-R962 PolarHBondContact OD1-NH1 2.9Å; D802-R962 IonicContact OD1-NH2 2.74Å; D802-R962 PolarHBondContact OD1-NH2 3.06Å; D802-R962 IonicContact OD2-NH2 3.57Å; D802-R962 PolarHBondContact OD2-NH2 3.33Å; P957-R962 VanDerWaalsContact CG-C 3.47Å; S959-R962 PolarHBondContact O-N 3.29Å; S959-R962 PolarHBondContact OG-N 2.93Å; L960-R962 PolarHBondContact O-N 3.49Å
963I86.7Confident87.2Confident126 Ų12639.5 Ų39.565%0.64619%0.193SC*.PPolyproline II helixtrans-88.8123.8178.3-57.7175.9000108.9D961D961-I963 HydrophobicContact CB-CD1 4.12Å; D961-I963 HydrophobicContact CB-CG1 4.08Å; D961-I963 PolarHBondContact O-N 3.09Å
964W87.3Confident86.7Confident30 Ų3043.8 Ų43.811%0.11421%0.211CC..PPolyproline II helixtrans-78.2139.7171.8-70.996.3000110.6P841 A842 L955 P957 A968 V1017 F1021 S1023P841-W964 HydrophobicContact CB-CD2 4.16Å; P841-W964 HydrophobicContact CB-CE3 4.07Å; P841-W964 HydrophobicContact CB-CH2 4.03Å; P841-W964 HydrophobicContact CB-CZ2 4.16Å; P841-W964 HydrophobicContact CB-CZ3 3.99Å; P841-W964 HydrophobicContact CG-CD2 3.85Å; P841-W964 HydrophobicContact CG-CE3 3.6Å; P841-W964 HydrophobicContact CG-CG 4.37Å; P841-W964 HydrophobicContact CG-CH2 4.44Å; P841-W964 HydrophobicContact CG-CZ3 3.92Å; A842-W964 HydrophobicContact CB-CZ2 4.26Å; L955-W964 HydrophobicContact CD1-CH2 4.44Å; L955-W964 HydrophobicContact CD1-CZ2 4.41Å; L955-W964 HydrophobicContact CG-CH2 4.49Å; L955-W964 HydrophobicContact CG-CZ2 4.06Å; P957-W964 HydrophobicContact CB-CD2 3.96Å; P957-W964 HydrophobicContact CB-CE3 4.01Å; P957-W964 HydrophobicContact CB-CG 4.45Å; P957-W964 HydrophobicContact CB-CZ3 4.35Å; P957-W964 HydrophobicContact CG-CD2 4.12Å; P957-W964 HydrophobicContact CG-CG 4.19Å; W964-A968 HydrophobicContact CE3-CB 4.35Å; W964-V1017 HydrophobicContact CH2-CG1 3.63Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; W964-F1021 HydrophobicContact CZ3-CB 4.06Å; W964-F1021 HydrophobicContact CZ3-CG 4.5Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å
965P81.4Confident86.3Confident41 Ų4147.9 Ų47.927%0.26623%0.233SC..PPolyproline II helixtrans-71.1151.3175.330.8-34.6000111.4D967 A968 R969P965-D967 WeakPolarHBondContact CB-OD1 3.44Å; P965-D967 WeakPolarHBondContact CG-OD1 3.34Å; P965-D967 PolarHBondContact O-N 2.95Å; P965-A968 HydrophobicContact CG-CB 3.88Å; P965-A968 PolarHBondContact O-N 3.2Å; P965-A968 VanDerWaalsContact O-N 3.16Å; P965-R969 PolarHBondContact O-N 3.02Å
966D81.3Confident85.9Confident93 Ų9348.3 Ų48.350%0.49724%0.235SC..Hα-helixtrans-60.2-31.8-178.9-76.7-48.1000112.9R969 N970D966-R969 PolarHBondContact O-N 2.97Å; D966-R969 IonicContact OD1-CZ 3.65Å; D966-R969 IonicContact OD1-NH1 3.75Å; D966-R969 PolarHBondContact OD1-NH1 3.13Å; D966-R969 IonicContact OD1-NH2 2.71Å; D966-R969 PolarHBondContact OD1-NH2 3.41Å; D966-N970 VanDerWaalsContact O-CB 3.23Å; D966-N970 WeakPolarHBondContact O-CB 3.42Å; D966-N970 PolarHBondContact O-N 2.9Å; D966-N970 PolarHBondContact O-ND2 3.3Å
967D77.5Confident85.7Confident17 Ų1749.6 Ų49.69%0.09124%0.24CC..Hα-helixtrans-66.8-38.2178.384.4-48.8000111.6P547 N548 P965 N970 L971P547-D967 WeakPolarHBondContact CD-OD1 3.47Å; P547-D967 WeakPolarHBondContact CD-OD2 3.48Å; P547-D967 WeakPolarHBondContact CG-OD2 3.03Å; N548-D967 PolarHBondContact ND2-OD2 2.98Å; P965-D967 WeakPolarHBondContact CB-OD1 3.44Å; P965-D967 WeakPolarHBondContact CG-OD1 3.34Å; P965-D967 PolarHBondContact O-N 2.95Å; D967-N970 PolarHBondContact O-N 3.45Å; D967-L971 VanDerWaalsContact O-CB 3.25Å; D967-L971 WeakPolarHBondContact O-CB 3.41Å; D967-L971 PolarHBondContact O-N 3.28Å
968A85Confident84.9Confident0 Ų056.4 Ų56.40%027%0.265CS..Hα-helixtrans-65.2-46.2175.300000112P841 W964 P965 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 3.95Å; W964-A968 HydrophobicContact CE3-CB 4.35Å; P965-A968 HydrophobicContact CG-CB 3.88Å; P965-A968 PolarHBondContact O-N 3.2Å; P965-A968 VanDerWaalsContact O-N 3.16Å; A968-N970 VanDerWaalsContact C-N 3.32Å; A968-N970 PolarHBondContact O-N 2.97Å; A968-L971 PolarHBondContact O-N 3.47Å; A968-V972 WeakPolarHBondContact O-CB 3.48Å; A968-V972 WeakPolarHBondContact O-CG2 3.46Å; A968-V972 PolarHBondContact O-N 2.98Å; A968-F1021 VanDerWaalsContact CA-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CD1 3.59Å; A968-F1021 HydrophobicContact CB-CE1 3.37Å; A968-F1021 HydrophobicContact CB-CE2 4.35Å; A968-F1021 HydrophobicContact CB-CG 4.17Å; A968-F1021 HydrophobicContact CB-CZ 3.78Å
969R88.8Confident83.6Confident76 Ų7659.5 Ų59.529%0.28727%0.274SS..Hα-helixtrans-56.8-47.4171.1-178.5-170.770.4-139.2-7110.8C838 Y839 P965 D966 R973C838-R969 VanDerWaalsContact O-CD 3.3Å; C838-R969 WeakPolarHBondContact O-CD 3.47Å; C838-R969 WeakPolarHBondContact O-CG 3.2Å; Y839-R969 WeakPolarHBondContact O-CD 3.42Å; P965-R969 PolarHBondContact O-N 3.02Å; D966-R969 PolarHBondContact O-N 2.97Å; D966-R969 IonicContact OD1-CZ 3.65Å; D966-R969 IonicContact OD1-NH1 3.75Å; D966-R969 PolarHBondContact OD1-NH1 3.13Å; D966-R969 IonicContact OD1-NH2 2.71Å; D966-R969 PolarHBondContact OD1-NH2 3.41Å; R969-R973 WeakPolarHBondContact O-CB 3.35Å; R969-R973 PolarHBondContact O-N 3.08Å
970N85.1Confident82Confident57 Ų5761.3 Ų61.331%0.30528%0.283SS..Hα-helixtrans-65.9-39.4-177.9-79.4-43.5000112.9D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.23Å; D966-N970 WeakPolarHBondContact O-CB 3.42Å; D966-N970 PolarHBondContact O-N 2.9Å; D966-N970 PolarHBondContact O-ND2 3.3Å; D967-N970 PolarHBondContact O-N 3.45Å; A968-N970 VanDerWaalsContact C-N 3.32Å; A968-N970 PolarHBondContact O-N 2.97Å; N970-R973 PolarHBondContact OD1-NH2 2.98Å; N970-K974 WeakPolarHBondContact O-CB 3.47Å; N970-K974 PolarHBondContact O-N 2.99Å
971L85.1Confident79.9Confident28 Ų2869.9 Ų69.915%0.14732%0.323CS..Hα-helixtrans-69.3-46.8177.9-169.1162.2000110.5D967 A968 R973 K974 D975 F1016 F1021D967-L971 VanDerWaalsContact O-CB 3.25Å; D967-L971 WeakPolarHBondContact O-CB 3.41Å; D967-L971 PolarHBondContact O-N 3.28Å; A968-L971 PolarHBondContact O-N 3.47Å; L971-R973 VanDerWaalsContact C-N 3.34Å; L971-R973 PolarHBondContact O-N 3.44Å; L971-K974 PolarHBondContact O-N 3.06Å; L971-K974 VanDerWaalsContact O-N 3.13Å; L971-D975 HydrophobicContact CD2-CB 4.21Å; L971-D975 WeakPolarHBondContact O-CB 3.36Å; L971-D975 PolarHBondContact O-N 2.94Å; L971-F1016 HydrophobicContact CD2-CE1 3.7Å; L971-F1016 HydrophobicContact CD2-CZ 3.55Å; L971-F1021 HydrophobicContact CB-CZ 4.09Å; L971-F1021 HydrophobicContact CD1-CE1 4.42Å; L971-F1021 HydrophobicContact CD1-CZ 4.18Å; L971-F1021 HydrophobicContact CD2-CZ 3.98Å; L971-F1021 HydrophobicContact CG-CZ 4.3Å
972V89.8Confident78Confident0 Ų074.2 Ų74.20%035%0.346CS..Iπ-helixtrans-58.1-46.2173.4169.90000111P841 A968 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.08Å; P841-V972 HydrophobicContact CG-CG2 3.99Å; A968-V972 WeakPolarHBondContact O-CB 3.48Å; A968-V972 WeakPolarHBondContact O-CG2 3.46Å; A968-V972 PolarHBondContact O-N 2.98Å; V972-K974 VanDerWaalsContact C-N 3.32Å; V972-K974 PolarHBondContact O-N 3.28Å; V972-F976 HydrophobicContact CG1-CB 4.47Å; V972-F976 WeakPolarHBondContact O-CB 3.33Å; V972-F976 PolarHBondContact O-N 2.86Å; V972-F977 HydrophobicContact CG1-CD2 3.73Å; V972-F977 HydrophobicContact CG1-CE2 3.46Å; V972-F977 VanDerWaalsContact CG1-CE2 3.46Å; V972-F977 HydrophobicContact CG1-CZ 4.38Å; V972-F977 PolarHBondContact O-N 3.45Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; V972-F1016 HydrophobicContact CG2-CD1 4.25Å; V972-F1016 HydrophobicContact CG2-CE1 3.98Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; V972-F1021 HydrophobicContact CG2-CE2 3.87Å; V972-F1021 HydrophobicContact CG2-CZ 4.37Å
973R88.6Confident76.4Confident143 Ų14377.7 Ų77.754%0.5436%0.362SS..Iπ-helixtrans-60.4-36.8174.9-176.1175.566.7145.7-3.2113.4R969 N970 L971 R978R969-R973 WeakPolarHBondContact O-CB 3.35Å; R969-R973 PolarHBondContact O-N 3.08Å; N970-R973 PolarHBondContact OD1-NH2 2.98Å; L971-R973 VanDerWaalsContact C-N 3.34Å; L971-R973 PolarHBondContact O-N 3.44Å; R973-R978 PolarHBondContact O-N 3.5Å
974K84.2Confident74.9Confident111 Ų11181.3 Ų81.348%0.48337%0.367SS..Iπ-helixtrans-88.7-32.9-174.2-172.3-161.4163.2-152.30113.3N970 L971 V972 R978N970-K974 WeakPolarHBondContact O-CB 3.47Å; N970-K974 PolarHBondContact O-N 2.99Å; L971-K974 PolarHBondContact O-N 3.06Å; L971-K974 VanDerWaalsContact O-N 3.13Å; V972-K974 VanDerWaalsContact C-N 3.32Å; V972-K974 PolarHBondContact O-N 3.28Å; K974-R978 WeakPolarHBondContact O-CB 3.42Å; K974-R978 WeakPolarHBondContact O-CD 3.45Å; K974-R978 WeakPolarHBondContact O-CG 3.43Å
975D85.1Confident73.7Confident86 Ų8684.6 Ų84.646%0.4639%0.387SS..Iπ-helixtrans-113.7-32.5-167.3-62.5-4.1000111.5L971 F1016L971-D975 HydrophobicContact CD2-CB 4.21Å; L971-D975 WeakPolarHBondContact O-CB 3.36Å; L971-D975 PolarHBondContact O-N 2.94Å; D975-F1016 HydrophobicContact CB-CZ 3.99Å
976F88Confident73.6Confident10 Ų1083.7 Ų83.74%0.04438%0.378CS..Iπ-helixtrans-90.4-52171.7-167.9-87.3000111.8V972 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.47Å; V972-F976 WeakPolarHBondContact O-CB 3.33Å; V972-F976 PolarHBondContact O-N 2.86Å; F976-R986 PolarHBondContact O-NH1 3.21Å; F976-R986 PolarHBondContact O-NH2 2.81Å; F976-F988 HydrophobicContact CD1-CE1 4.39Å; F976-F988 HydrophobicContact CE1-CD1 4.24Å; F976-F988 AromaticContact CE1-CE1 3.93Å; F976-F988 HydrophobicContact CE1-CE1 3.93Å; F976-N1011 HydrophobicContact CE2-CB 4.1Å; F976-N1011 WeakPolarHBondContact CZ-O 3.24Å; F976-L1013 HydrophobicContact CB-CD1 4.27Å; F976-L1013 HydrophobicContact CD1-CB 4.41Å; F976-L1013 HydrophobicContact CD1-CD1 3.8Å; F976-L1013 HydrophobicContact CD1-CG 4.48Å; F976-L1013 HydrophobicContact CD2-CD1 4.08Å; F976-L1013 HydrophobicContact CE1-CB 3.85Å; F976-L1013 HydrophobicContact CE1-CD1 4.14Å; F976-L1013 HydrophobicContact CE1-CD2 4.43Å; F976-L1013 HydrophobicContact CE1-CG 4.36Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.78Å; F976-L1013 HydrophobicContact CZ-CB 3.64Å; F976-L1013 HydrophobicContact CZ-CD1 4.43Å; F976-F1016 HydrophobicContact CB-CD1 4.26Å; F976-F1016 HydrophobicContact CB-CD2 4.48Å; F976-F1016 HydrophobicContact CB-CE1 4.19Å; F976-F1016 HydrophobicContact CB-CE2 4.39Å; F976-F1016 HydrophobicContact CB-CG 4.43Å; F976-F1016 HydrophobicContact CB-CZ 4.25Å; F976-F1016 HydrophobicContact CD2-CB 3.93Å; F976-F1016 HydrophobicContact CD2-CD1 4.38Å; F976-F1016 AromaticContact CD2-CD2 3.93Å; F976-F1016 HydrophobicContact CD2-CD2 3.93Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.31Å
977F86.4Confident73.8Confident27 Ų2782.8 Ų82.812%0.11837%0.371CS..SBendtrans-87.2-2.2-175-64.3-54.3000115.7V835 C838 L844 V972 F988 L1013V835-F977 HydrophobicContact CG2-CD1 4.01Å; V835-F977 HydrophobicContact CG2-CE1 3.77Å; V835-F977 HydrophobicContact CG2-CZ 4.32Å; C838-F977 HydrophobicContact CB-CD2 4.13Å; C838-F977 HydrophobicContact CB-CE2 4.15Å; L844-F977 HydrophobicContact CD1-CE1 4.32Å; L844-F977 HydrophobicContact CD1-CE2 4.31Å; L844-F977 HydrophobicContact CD1-CZ 3.61Å; L844-F977 HydrophobicContact CD2-CE2 3.6Å; L844-F977 HydrophobicContact CD2-CZ 3.77Å; L844-F977 HydrophobicContact CG-CZ 4.37Å; V972-F977 HydrophobicContact CG1-CD2 3.73Å; V972-F977 HydrophobicContact CG1-CE2 3.46Å; V972-F977 VanDerWaalsContact CG1-CE2 3.46Å; V972-F977 HydrophobicContact CG1-CZ 4.38Å; V972-F977 PolarHBondContact O-N 3.45Å; F977-F988 HydrophobicContact CD1-CD1 4.42Å; F977-F988 AromaticContact CD1-CE1 3.78Å; F977-F988 HydrophobicContact CD1-CE1 3.78Å; F977-F988 HydrophobicContact CD1-CE2 4.21Å; F977-F988 AromaticContact CD1-CZ 3.67Å; F977-F988 HydrophobicContact CD1-CZ 3.67Å; F977-F988 HydrophobicContact CE1-CD1 4.3Å; F977-F988 HydrophobicContact CE1-CE1 4.09Å; F977-F988 HydrophobicContact CE1-CZ 4.33Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CE2-CD2 4.29Å; F977-L1013 HydrophobicContact CZ-CD2 3.53Å
978R73.7Confident74.6Confident150 Ų15082.4 Ų82.457%0.56637%0.369SS*.SBendtrans-62.6153.8-179.5-111-169.8176.8-179.6-7.4112.4R973 K974 T980 R986R973-R978 PolarHBondContact O-N 3.5Å; K974-R978 WeakPolarHBondContact O-CB 3.42Å; K974-R978 WeakPolarHBondContact O-CD 3.45Å; K974-R978 WeakPolarHBondContact O-CG 3.43Å; R978-T980 PolarHBondContact O-N 3.42Å; R978-R986 WeakPolarHBondContact O-CD 3.48Å; R978-R986 PolarHBondContact O-NH1 3.47Å
979R55.7Low75.1Confident131 Ų13185.2 Ų85.249%0.49438%0.382SS..  trans-65.696.4156.5-56.7172.2-170.3176.80.7107.7N860N860-R979 PolarHBondContact O-NH2 2.87Å; N860-R979 VanDerWaalsContact O-NH2 3.09Å
980T49.9Very low75.5Confident72 Ų7281.6 Ų81.644%0.44237%0.368SS..  trans-56.2145.5154.936.10000107.8R978 N982R978-T980 PolarHBondContact O-N 3.42Å; T980-N982 PolarHBondContact O-N 3.37Å
981H44.5Very low76Confident182 Ų18282.4 Ų82.484%0.84338%0.375SS*.THydrogen-bonded Turntrans-54.1131.4-171.3-72.1-95.9000110.7
982N45.1Very low76.6Confident163 Ų16381.3 Ų81.387%0.87237%0.37SS*.THydrogen-bonded Turntrans91.2-20.6176-52.3-20.1000119.7T980 R984T980-N982 PolarHBondContact O-N 3.37Å; N982-R984 PolarHBondContact O-N 3.3Å
983K54.7Low76.9Confident89 Ų8984.5 Ų84.539%0.38739%0.385SS..  trans-93.794.7173.1-72.1-178.3-175.6168.20111.8N985 R986 E1009K983-N985 VanDerWaalsContact C-N 3.28Å; K983-N985 PolarHBondContact O-N 2.96Å; K983-R986 HydrophobicContact CB-CG 3.99Å; K983-R986 HydrophobicContact CD-CG 4.5Å; K983-E1009 IonicContact NZ-OE1 3.34Å; K983-E1009 PolarHBondContact NZ-OE1 2.85Å
984R55.7Low77.1Confident202 Ų20278.5 Ų78.576%0.76237%0.365SS*.SBendtrans-67.1-26.7175.9-72.6-175.3178-178.5-0.1113.3R857 N982R857-R984 PolarHBondContact NH2-O 3.4Å; N982-R984 PolarHBondContact O-N 3.3Å
985N62.1Low77.5Confident99 Ų9974 Ų7453%0.52935%0.347SS..SBendtrans-121.692.8175.3-63.9-7.9000108.2R857 K983R857-N985 PolarHBondContact NE-OD1 3.42Å; R857-N985 PolarHBondContact NH2-OD1 2.86Å; K983-N985 VanDerWaalsContact C-N 3.28Å; K983-N985 PolarHBondContact O-N 2.96Å
986R78.6Confident77.9Confident21 Ų2170.5 Ų70.58%0.07933%0.329CS..  trans-84.6128.4162.3-72.9-17972.1-157.80.1107.6F976 R978 K983 F988 D1007F976-R986 PolarHBondContact O-NH1 3.21Å; F976-R986 PolarHBondContact O-NH2 2.81Å; R978-R986 WeakPolarHBondContact O-CD 3.48Å; R978-R986 PolarHBondContact O-NH1 3.47Å; K983-R986 HydrophobicContact CB-CG 3.99Å; K983-R986 HydrophobicContact CD-CG 4.5Å; R986-F988 HydrophobicContact CB-CE2 4.13Å; R986-F988 HydrophobicContact CB-CZ 4.19Å; R986-D1007 IonicContact CZ-OD2 3.28Å; R986-D1007 IonicContact NH2-OD2 2.79Å; R986-D1007 PolarHBondContact NH2-OD2 3.35Å
987Q85.9Confident77.8Confident75 Ų7572.6 Ų72.635%0.3534%0.339SS..  trans-95.5159.7168.2-74-175.4-21.100109.1D1008Q987-D1008 WeakPolarHBondContact CB-OD1 3.3Å; Q987-D1008 PolarHBondContact N-OD2 2.87Å
988F93.9Very high77.9Confident8 Ų874.7 Ų74.74%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-131.8150.7175.2-61.2-87.6000107.9R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 WeakPolarHBondContact CA-O 3.45Å; F833-F988 WeakPolarHBondContact CD1-O 3.49Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.29Å; F833-F988 HydrophobicContact CE2-CB 3.56Å; F833-F988 HydrophobicContact CE2-CG 4.43Å; F833-F988 HydrophobicContact CZ-CB 3.7Å; F833-F988 PolarHBondContact N-O 2.78Å; F833-F988 PolarHBondContact O-N 2.89Å; V835-F988 HydrophobicContact CG2-CD2 3.83Å; V835-F988 HydrophobicContact CG2-CE2 4.13Å; V835-F988 HydrophobicContact CG2-CG 4.36Å; F976-F988 HydrophobicContact CD1-CE1 4.39Å; F976-F988 HydrophobicContact CE1-CD1 4.24Å; F976-F988 AromaticContact CE1-CE1 3.93Å; F976-F988 HydrophobicContact CE1-CE1 3.93Å; F977-F988 HydrophobicContact CD1-CD1 4.42Å; F977-F988 AromaticContact CD1-CE1 3.78Å; F977-F988 HydrophobicContact CD1-CE1 3.78Å; F977-F988 HydrophobicContact CD1-CE2 4.21Å; F977-F988 AromaticContact CD1-CZ 3.67Å; F977-F988 HydrophobicContact CD1-CZ 3.67Å; F977-F988 HydrophobicContact CE1-CD1 4.3Å; F977-F988 HydrophobicContact CE1-CE1 4.09Å; F977-F988 HydrophobicContact CE1-CZ 4.33Å; R986-F988 HydrophobicContact CB-CE2 4.13Å; R986-F988 HydrophobicContact CB-CZ 4.19Å; F988-I1005 HydrophobicContact CB-CG2 4.2Å; F988-I1005 HydrophobicContact CD1-CG2 4.38Å; F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.26Å; F988-Y1006 WeakPolarHBondContact CA-O 3.18Å; F988-D1007 HydrophobicContact CD1-CB 3.81Å; F988-D1007 HydrophobicContact CE1-CB 3.69Å
989H95.6Very high78.9Confident59 Ų5968 Ų6827%0.27332%0.322SS..EExtended strand (participates in β ladder)trans-134.8149.5179.864-86.1000111.8L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.24Å; I831-H989 WeakPolarHBondContact O-CA 3.43Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; R832-H989 HydrophobicContact CG-CB 4.43Å; H989-Y1006 PolarHBondContact N-O 2.85Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.33Å; H989-Y1006 PolarHBondContact O-N 2.86Å; H989-D1007 PolarHBondContact CE1-O 3.27Å; H989-D1007 VanDerWaalsContact CE1-O 3.27Å
990A97.3Very high80.8Confident0 Ų061.8 Ų61.80%030%0.298CS..EExtended strand (participates in β ladder)trans-153.7157.6-178.800000110.7I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.28Å; I831-A990 VanDerWaalsContact CG1-O 3.3Å; I831-A990 WeakPolarHBondContact CG1-O 3.47Å; I831-A990 PolarHBondContact N-O 3.21Å; I831-A990 PolarHBondContact O-N 3.18Å; I831-A990 VanDerWaalsContact O-N 3.16Å; F833-A990 HydrophobicContact CE1-CB 3.78Å; F833-A990 HydrophobicContact CZ-CB 4.36Å; A990-V1002 HydrophobicContact CB-CB 4Å; A990-V1002 HydrophobicContact CB-CG1 3.67Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.37Å; A990-I1005 HydrophobicContact CB-CG1 4.27Å
991V97Very high83.1Confident74 Ų7458.4 Ų58.445%0.44828%0.278SS..EExtended strand (participates in β ladder)trans-103.9113.8176-177.60000109.4G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.42Å; L830-V991 HydrophobicContact CD1-CG2 4.04Å; V991-Q993 PolarHBondContact O-N 3.09Å; V991-Q993 PolarHBondContact O-NE2 3.28Å
992V97Very high85.6Confident6 Ų649.8 Ų49.84%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-62.6126.8178-179.60000109.7P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.32Å; P826-V992 HydrophobicContact CG-CG2 4.24Å; G829-V992 PolarHBondContact O-N 2.72Å; I831-V992 HydrophobicContact CB-CG2 4.5Å; I831-V992 HydrophobicContact CD1-CG2 3.98Å; I831-V992 HydrophobicContact CG1-CG2 4.02Å; I831-V992 HydrophobicContact CG2-CG2 3.68Å; V992-I1000 HydrophobicContact CB-CG2 4.41Å; V992-I1000 HydrophobicContact CG1-CG2 3.96Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å
993Q95.1Very high88Confident67 Ų6750 Ų5031%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-93.5-45.1173.7-59.3-57.1-81.200111.1V991 F1001 R1003V991-Q993 PolarHBondContact O-N 3.09Å; V991-Q993 PolarHBondContact O-NE2 3.28Å; Q993-F1001 PolarHBondContact N-O 3.25Å; Q993-R1003 HydrophobicContact CG-CG 3.69Å
994S93.1Very high89.9Confident17 Ų1746.2 Ų46.212%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-156.8156.6179.953.70000109.3F1001 Q1030S994-F1001 PolarHBondContact O-N 2.6Å; S994-Q1030 PolarHBondContact OG-NE2 3.21Å; S994-Q1030 PolarHBondContact OG-OE1 3.44Å
995A94.1Very high91.9Very high15 Ų1536.7 Ų36.712%0.12417%0.174CC..EExtended strand (participates in β ladder)trans-129.2124.4167.700000107.4P821 T999P821-A995 HydrophobicContact CB-CB 3.89Å; P821-A995 HydrophobicContact CG-CB 3.94Å; A995-T999 WeakPolarHBondContact CA-O 3.31Å
996I92.1Very high93.5Very high14 Ų1435.9 Ų35.97%0.07216%0.164CC..EExtended strand (participates in β ladder)trans-132.8128.4-176.1-51.8172.4000106.6M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.95Å; M814-I996 HydrophobicContact SD-CG2 3.96Å; I996-R998 PolarHBondContact O-N 2.89Å; I996-T999 PolarHBondContact N-O 2.91Å; I996-T999 PolarHBondContact O-N 2.88Å; I996-T999 VanDerWaalsContact O-N 3.07Å; I996-F1001 HydrophobicContact CB-CE2 4.2Å; I996-F1001 HydrophobicContact CD1-CE2 4.22Å; I996-F1001 HydrophobicContact CG1-CE2 4.33Å; I996-L1033 HydrophobicContact CD1-CB 3.86Å; I996-M1036 HydrophobicContact CG2-CE 4.41Å; I996-V1037 HydrophobicContact CD1-CG2 4.09Å; I996-V1037 HydrophobicContact CG1-CG2 4.44Å; I996-V1037 HydrophobicContact CG2-CG2 3.67Å
997H87.4Confident94Very high53 Ų5335 Ų3525%0.24516%0.161CC..THydrogen-bonded Turntrans50.2-133.8-171.5-163.860.3000111.4M814 E818 V819 P821 P822 T999M814-H997 HydrophobicContact CE-CB 4.03Å; E818-H997 WeakPolarHBondContact CA-ND1 3.15Å; E818-H997 WeakPolarHBondContact O-CA 3.31Å; E818-H997 WeakPolarHBondContact O-CB 3.5Å; E818-H997 PolarHBondContact O-N 2.94Å; E818-H997 PolarHBondContact O-ND1 2.85Å; V819-H997 PolarHBondContact O-N 3.41Å; P821-H997 VanDerWaalsContact CA-O 3.24Å; P821-H997 WeakPolarHBondContact CA-O 3.41Å; P821-H997 WeakPolarHBondContact CB-O 3.4Å; P822-H997 WeakPolarHBondContact CD-O 3.49Å; H997-T999 VanDerWaalsContact C-N 3.26Å; H997-T999 PolarHBondContact O-N 2.89Å
998R87.8Confident93.9Very high71 Ų7135 Ų3527%0.26816%0.163SC..THydrogen-bonded Turntrans-86.314.9179.6-61.4171.8-175.5-162.80.9113.5Y825 I996Y825-R998 VanDerWaalsContact CE1-O 3.3Å; Y825-R998 WeakPolarHBondContact CE1-O 3.45Å; Y825-R998 PolarHBondContact OH-O 2.9Å; I996-R998 PolarHBondContact O-N 2.89Å
999T94.3Very high93.5Very high11 Ų1139.8 Ų39.87%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-120.2131.2-171.3-45.70000112.1R951 A995 I996 H997 F1001R951-T999 HydrophobicContact CB-CG2 4.29Å; R951-T999 HydrophobicContact CG-CG2 3.72Å; A995-T999 WeakPolarHBondContact CA-O 3.31Å; I996-T999 PolarHBondContact N-O 2.91Å; I996-T999 PolarHBondContact O-N 2.88Å; I996-T999 VanDerWaalsContact O-N 3.07Å; H997-T999 VanDerWaalsContact C-N 3.26Å; H997-T999 PolarHBondContact O-N 2.89Å; T999-F1001 HydrophobicContact CG2-CD2 4.31Å; T999-F1001 HydrophobicContact CG2-CE1 4.17Å; T999-F1001 HydrophobicContact CG2-CE2 3.76Å; T999-F1001 HydrophobicContact CG2-CZ 3.68Å
1000I96.6Very high93Very high0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-101.9125.9173.3-57.6170.9000108.5Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.61Å; Y825-I1000 HydrophobicContact CE1-CD1 4.23Å; Y825-I1000 HydrophobicContact CE1-CG1 4Å; P826-I1000 HydrophobicContact CG-CD1 3.93Å; I831-I1000 HydrophobicContact CD1-CG2 4.5Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.44Å; M948-I1000 HydrophobicContact SD-CD1 3.64Å; D949-I1000 PolarHBondContact O-N 2.85Å; L950-I1000 WeakPolarHBondContact CA-O 3.3Å; L950-I1000 HydrophobicContact CD1-CB 3.79Å; L950-I1000 HydrophobicContact CD1-CG2 3.62Å; R951-I1000 PolarHBondContact N-O 3.02Å; V992-I1000 HydrophobicContact CB-CG2 4.41Å; V992-I1000 HydrophobicContact CG1-CG2 3.96Å; V992-I1000 HydrophobicContact CG2-CG2 3.74Å; I1000-V1002 HydrophobicContact CG2-CG1 4.43Å
1001F96.9Very high92.6Very high1 Ų143.2 Ų43.20%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-103130.5178-66.3-86.3000111.3R951 L953 Q993 S994 I996 T999 L1033R951-F1001 HydrophobicContact CB-CD1 4.16Å; R951-F1001 HydrophobicContact CB-CE1 4.21Å; L953-F1001 HydrophobicContact CD1-CB 4.29Å; L953-F1001 HydrophobicContact CD1-CD1 3.91Å; L953-F1001 HydrophobicContact CD1-CG 4.31Å; Q993-F1001 PolarHBondContact N-O 3.25Å; S994-F1001 PolarHBondContact O-N 2.6Å; I996-F1001 HydrophobicContact CB-CE2 4.2Å; I996-F1001 HydrophobicContact CD1-CE2 4.22Å; I996-F1001 HydrophobicContact CG1-CE2 4.33Å; T999-F1001 HydrophobicContact CG2-CD2 4.31Å; T999-F1001 HydrophobicContact CG2-CE1 4.17Å; T999-F1001 HydrophobicContact CG2-CE2 3.76Å; T999-F1001 HydrophobicContact CG2-CZ 3.68Å; F1001-L1033 HydrophobicContact CD1-CD1 4.05Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.71Å; F1001-L1033 HydrophobicContact CE2-CD1 4.17Å; F1001-L1033 HydrophobicContact CG-CD1 4.41Å; F1001-L1033 HydrophobicContact CZ-CD1 3.78Å; F1001-L1033 HydrophobicContact CZ-CD2 4.19Å
1002V97.3Very high92.4Very high0 Ų041.8 Ų41.80%021%0.209CC..EExtended strand (participates in β ladder)trans-128.4151.9178.1-65.10000110.3L950 R951 I952 L953 A990 I1000 N1004 I1005L950-V1002 HydrophobicContact CD1-CG1 3.68Å; L950-V1002 HydrophobicContact CD1-CG2 4.08Å; L950-V1002 HydrophobicContact CG-CG2 4.23Å; R951-V1002 WeakPolarHBondContact O-CG2 3.26Å; R951-V1002 PolarHBondContact O-N 3.45Å; I952-V1002 WeakPolarHBondContact CA-O 3.28Å; I952-V1002 HydrophobicContact CG1-CG2 4.49Å; L953-V1002 WeakPolarHBondContact CB-O 3.46Å; L953-V1002 PolarHBondContact N-O 2.99Å; A990-V1002 HydrophobicContact CB-CB 4Å; A990-V1002 HydrophobicContact CB-CG1 3.67Å; A990-V1002 HydrophobicContact CB-CG2 4.21Å; I1000-V1002 HydrophobicContact CG2-CG1 4.43Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; V1002-I1005 HydrophobicContact CG2-CD1 4.45Å; V1002-I1005 HydrophobicContact CG2-CG1 4Å
1003R94.9Very high92.3Very high167 Ų16741.6 Ų41.663%0.6321%0.207SC*.SBendtrans-71-32.7172.1-68.4-171.9-172.1-151.1-2.9112.5Q993Q993-R1003 HydrophobicContact CG-CG 3.69Å
1004N96.1Very high92.2Very high11 Ų1139.3 Ų39.36%0.05920%0.197CC..  trans-163166.5-171.8-155.3-4.1000111.1A990 V1002 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.37Å; V1002-N1004 VanDerWaalsContact C-N 3.33Å; N1004-Y1006 HydrophobicContact CB-CE2 3.96Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.44Å; N1004-Y1006 PolarHBondContact ND2-OH 2.81Å; N1004-D1012 PolarHBondContact ND2-OD1 3.36Å; N1004-D1012 PolarHBondContact ND2-OD2 2.8Å; N1004-D1012 VanDerWaalsContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.39Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.09Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.45Å; N1004-L1014 PolarHBondContact OD1-N 2.84Å
1005I96.6Very high92.2Very high1 Ų141 Ų411%0.00521%0.209CC..  trans-128.9132.6175.3-64.9175.2000108.4F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.37Å; F833-I1005 HydrophobicContact CZ-CD1 4.15Å; F833-I1005 HydrophobicContact CZ-CG1 4.11Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å; L844-I1005 HydrophobicContact CD1-CD1 3.46Å; L844-I1005 VanDerWaalsContact CD1-CD1 3.46Å; L950-I1005 HydrophobicContact CD2-CD1 3.66Å; L950-I1005 HydrophobicContact CD2-CG1 4.25Å; L950-I1005 HydrophobicContact CG-CD1 4.36Å; I952-I1005 HydrophobicContact CD1-CD1 4.44Å; I952-I1005 HydrophobicContact CG1-CD1 4.25Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; F988-I1005 HydrophobicContact CB-CG2 4.2Å; F988-I1005 HydrophobicContact CD1-CG2 4.38Å; A990-I1005 HydrophobicContact CB-CG1 4.27Å; V1002-I1005 HydrophobicContact CG2-CD1 4.45Å; V1002-I1005 HydrophobicContact CG2-CG1 4Å; I1005-L1013 HydrophobicContact CB-CB 4.14Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.18Å; I1005-L1013 HydrophobicContact CG2-CD2 4.37Å; I1005-L1013 WeakPolarHBondContact O-CB 3.3Å; I1005-L1013 PolarHBondContact O-N 3.39Å
1006Y95.2Very high92Very high82 Ų8241.6 Ų41.632%0.32221%0.209SC..EExtended strand (participates in β ladder)trans-119.1150.7178.6-54.3-81.7000110.6F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.56Å; F988-Y1006 VanDerWaalsContact CA-O 3.26Å; F988-Y1006 WeakPolarHBondContact CA-O 3.18Å; H989-Y1006 PolarHBondContact N-O 2.85Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.33Å; H989-Y1006 PolarHBondContact O-N 2.86Å; N1004-Y1006 HydrophobicContact CB-CE2 3.96Å; N1004-Y1006 WeakPolarHBondContact ND2-CE1 3.44Å; N1004-Y1006 PolarHBondContact ND2-OH 2.81Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.38Å; Y1006-D1012 HydrophobicContact CD1-CB 4.25Å; Y1006-D1012 HydrophobicContact CE1-CB 4.07Å
1007D90.1Very high92Very high2 Ų240.9 Ų40.91%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-94.1177.2169.776.2-2.1000112.5R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 3.28Å; R986-D1007 IonicContact NH2-OD2 2.79Å; R986-D1007 PolarHBondContact NH2-OD2 3.35Å; F988-D1007 HydrophobicContact CD1-CB 3.81Å; F988-D1007 HydrophobicContact CE1-CB 3.69Å; H989-D1007 PolarHBondContact CE1-O 3.27Å; H989-D1007 VanDerWaalsContact CE1-O 3.27Å; D1007-E1009 PolarHBondContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.47Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 3.38Å; D1007-G1010 PolarHBondContact O-N 3.34Å; D1007-G1010 VanDerWaalsContact O-N 3.09Å; D1007-G1010 PolarHBondContact OD1-N 3.07Å; D1007-N1011 PolarHBondContact N-O 3.19Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.2Å; D1007-N1011 PolarHBondContact OD1-N 2.9Å; D1007-N1011 PolarHBondContact OD1-ND2 2.77Å; D1007-N1011 PolarHBondContact OD2-ND2 2.87Å
1008D84.4Confident92Very high75 Ų7541.8 Ų41.840%0.40121%0.211SC..THydrogen-bonded Turntrans-60.5-10.7176.7-56.5-42.6000114.7Q987Q987-D1008 WeakPolarHBondContact CB-OD1 3.3Å; Q987-D1008 PolarHBondContact N-OD2 2.87Å
1009E84.4Confident91.9Very high110 Ų11044.6 Ų44.651%0.51423%0.231SC..THydrogen-bonded Turntrans-106.91.3-179.3-73.8161-152.200111.9K983 D1007 N1011K983-E1009 IonicContact NZ-OE1 3.34Å; K983-E1009 PolarHBondContact NZ-OE1 2.85Å; D1007-E1009 PolarHBondContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.47Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.45Å; D1007-E1009 PolarHBondContact OD1-N 3.38Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.27Å
1010G85.2Confident91.2Very high52 Ų5250 Ų5054%0.53625%0.251SS..  trans80.88.8-17900000114.4D1007D1007-G1010 PolarHBondContact O-N 3.34Å; D1007-G1010 VanDerWaalsContact O-N 3.09Å; D1007-G1010 PolarHBondContact OD1-N 3.07Å
1011N89.7Confident90.6Very high79 Ų7951.1 Ų51.142%0.42226%0.255SS..  trans-68.8134.4177-60.2-68.1000110.7F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 4.1Å; F976-N1011 WeakPolarHBondContact CZ-O 3.24Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.38Å; D1007-N1011 PolarHBondContact N-O 3.19Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.2Å; D1007-N1011 PolarHBondContact OD1-N 2.9Å; D1007-N1011 PolarHBondContact OD1-ND2 2.77Å; D1007-N1011 PolarHBondContact OD2-ND2 2.87Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 WeakPolarHBondContact CB-ND2 3.27Å
1012D92.8Very high89.8Confident44 Ų4455.8 Ų55.824%0.23527%0.273CS..BIsolated β-bridgetrans-96.2121.5-173.1172.1-14.3000111.5N1004 Y1006 L1014 S1015 F1016N1004-D1012 PolarHBondContact ND2-OD1 3.36Å; N1004-D1012 PolarHBondContact ND2-OD2 2.8Å; N1004-D1012 VanDerWaalsContact ND2-OD2 3.17Å; N1004-D1012 PolarHBondContact OD1-OD1 3.39Å; N1004-D1012 VanDerWaalsContact OD1-OD1 3.09Å; Y1006-D1012 HydrophobicContact CD1-CB 4.25Å; Y1006-D1012 HydrophobicContact CE1-CB 4.07Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.29Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.37Å; D1012-L1014 PolarHBondContact OD1-N 3.5Å; D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.03Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.29Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.26Å; D1012-S1015 PolarHBondContact OD2-OG 3.24Å; D1012-F1016 VanDerWaalsContact O-CB 3.24Å; D1012-F1016 WeakPolarHBondContact O-CB 3.47Å; D1012-F1016 PolarHBondContact O-N 2.87Å
1013L93.9Very high89.3Confident1 Ų156.5 Ų56.51%0.00528%0.278CS..Hα-helixtrans-72.6-41.9178.3-179.355.7000113.5I952 V972 F976 F977 I1005 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 3.98Å; I952-L1013 HydrophobicContact CD1-CG 4.12Å; V972-L1013 HydrophobicContact CG1-CD1 3.78Å; F976-L1013 HydrophobicContact CB-CD1 4.27Å; F976-L1013 HydrophobicContact CD1-CB 4.41Å; F976-L1013 HydrophobicContact CD1-CD1 3.8Å; F976-L1013 HydrophobicContact CD1-CG 4.48Å; F976-L1013 HydrophobicContact CD2-CD1 4.08Å; F976-L1013 HydrophobicContact CE1-CB 3.85Å; F976-L1013 HydrophobicContact CE1-CD1 4.14Å; F976-L1013 HydrophobicContact CE1-CD2 4.43Å; F976-L1013 HydrophobicContact CE1-CG 4.36Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.39Å; F976-L1013 HydrophobicContact CG-CD1 3.78Å; F976-L1013 HydrophobicContact CZ-CB 3.64Å; F976-L1013 HydrophobicContact CZ-CD1 4.43Å; F977-L1013 HydrophobicContact CE1-CD2 4.23Å; F977-L1013 HydrophobicContact CE2-CD2 4.29Å; F977-L1013 HydrophobicContact CZ-CD2 3.53Å; I1005-L1013 HydrophobicContact CB-CB 4.14Å; I1005-L1013 HydrophobicContact CB-CD2 4.08Å; I1005-L1013 HydrophobicContact CD1-CD2 4.18Å; I1005-L1013 HydrophobicContact CG2-CD2 4.37Å; I1005-L1013 WeakPolarHBondContact O-CB 3.3Å; I1005-L1013 PolarHBondContact O-N 3.39Å; L1013-F1016 HydrophobicContact CD1-CD1 4.41Å; L1013-F1016 WeakPolarHBondContact O-CB 3.38Å; L1013-F1016 PolarHBondContact O-N 2.87Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.41Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.28Å; L1013-V1017 PolarHBondContact O-N 2.86Å
1014L93.8Very high89.1Confident19 Ų1951.6 Ų51.610%0.09926%0.262CS..Hα-helixtrans-59.7-48.5178.2176.565.2000110.7I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.23Å; L955-L1014 HydrophobicContact CD1-CD1 3.87Å; L955-L1014 HydrophobicContact CD2-CD1 3.88Å; L955-L1014 HydrophobicContact CG-CD1 4.29Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.45Å; N1004-L1014 PolarHBondContact OD1-N 2.84Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.29Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.37Å; D1012-L1014 PolarHBondContact OD1-N 3.5Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.84Å; L1014-V1017 PolarHBondContact O-N 2.82Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.88Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.37Å; L1014-I1018 PolarHBondContact O-N 2.74Å
1015S92.1Very high88.8Confident52 Ų5254.3 Ų54.336%0.36428%0.275SS..Hα-helixtrans-64.1-36.7173.6-67.30000112.2D1012 V1017 N1019D1012-S1015 VanDerWaalsContact CG-OG 3.24Å; D1012-S1015 PolarHBondContact OD1-N 3.03Å; D1012-S1015 VanDerWaalsContact OD2-CB 3.29Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.26Å; D1012-S1015 PolarHBondContact OD2-OG 3.24Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.28Å; S1015-N1019 VanDerWaalsContact O-CB 3.31Å; S1015-N1019 WeakPolarHBondContact O-CB 3.25Å; S1015-N1019 PolarHBondContact O-N 3.15Å; S1015-N1019 PolarHBondContact O-ND2 2.94Å
1016F90.7Very high88.6Confident28 Ų2855 Ų5512%0.12328%0.279CS..Hα-helixtrans-60.3-40.5174.1178.6-84.2000112L971 V972 D975 F976 D1012 L1013 L1014 R1020L971-F1016 HydrophobicContact CD2-CE1 3.7Å; L971-F1016 HydrophobicContact CD2-CZ 3.55Å; V972-F1016 HydrophobicContact CG2-CD1 4.25Å; V972-F1016 HydrophobicContact CG2-CE1 3.98Å; D975-F1016 HydrophobicContact CB-CZ 3.99Å; F976-F1016 HydrophobicContact CB-CD1 4.26Å; F976-F1016 HydrophobicContact CB-CD2 4.48Å; F976-F1016 HydrophobicContact CB-CE1 4.19Å; F976-F1016 HydrophobicContact CB-CE2 4.39Å; F976-F1016 HydrophobicContact CB-CG 4.43Å; F976-F1016 HydrophobicContact CB-CZ 4.25Å; F976-F1016 HydrophobicContact CD2-CB 3.93Å; F976-F1016 HydrophobicContact CD2-CD1 4.38Å; F976-F1016 AromaticContact CD2-CD2 3.93Å; F976-F1016 HydrophobicContact CD2-CD2 3.93Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.31Å; D1012-F1016 VanDerWaalsContact O-CB 3.24Å; D1012-F1016 WeakPolarHBondContact O-CB 3.47Å; D1012-F1016 PolarHBondContact O-N 2.87Å; L1013-F1016 HydrophobicContact CD1-CD1 4.41Å; L1013-F1016 WeakPolarHBondContact O-CB 3.38Å; L1013-F1016 PolarHBondContact O-N 2.87Å; L1014-F1016 VanDerWaalsContact C-N 3.34Å; L1014-F1016 PolarHBondContact O-N 2.84Å; F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 VanDerWaalsContact CE2-CZ 3.44Å; F1016-R1020 WeakPolarHBondContact O-CD 3.5Å; F1016-R1020 WeakPolarHBondContact O-CG 3.37Å; F1016-R1020 PolarHBondContact O-NH1 3.15Å
1017V91.1Very high88.4Confident0 Ų059.9 Ų59.90%030%0.304CS..Hα-helixtrans-75.3-53.1-178170.70000111.6P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.8Å; L955-V1017 HydrophobicContact CD1-CG1 4.37Å; L955-V1017 HydrophobicContact CD2-CG1 4.22Å; W964-V1017 HydrophobicContact CH2-CG1 3.63Å; W964-V1017 HydrophobicContact CZ3-CG1 4.07Å; V972-V1017 HydrophobicContact CG2-CG2 3.96Å; L1013-V1017 HydrophobicContact CD1-CG2 3.91Å; L1013-V1017 HydrophobicContact CG-CG2 4.41Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.28Å; L1013-V1017 PolarHBondContact O-N 2.86Å; L1014-V1017 PolarHBondContact O-N 2.82Å; S1015-V1017 VanDerWaalsContact C-N 3.29Å; S1015-V1017 PolarHBondContact O-N 3.28Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 2.7Å; V1017-R1020 PolarHBondContact O-N 3.35Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.95Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.44Å; V1017-F1021 PolarHBondContact O-N 3.26Å
1018I88.6Confident88.4Confident72 Ų7263 Ų6337%0.36933%0.325SS..Hα-helixtrans-58.9-38.1-177.7-69.4174.2000111.4L955 L1014 R1020L955-I1018 HydrophobicContact CD1-CG1 4.48Å; L1014-I1018 HydrophobicContact CD1-CD1 3.65Å; L1014-I1018 HydrophobicContact CD1-CG1 4.19Å; L1014-I1018 HydrophobicContact CG-CD1 3.88Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.37Å; L1014-I1018 PolarHBondContact O-N 2.74Å; I1018-R1020 PolarHBondContact O-N 2.86Å
1019N84.8Confident88.9Confident129 Ų12959.4 Ų59.469%0.6931%0.306SS*.THydrogen-bonded Turntrans-75.7-5.5179.2-70.4-49.6000114.6S1015 V1017S1015-N1019 VanDerWaalsContact O-CB 3.31Å; S1015-N1019 WeakPolarHBondContact O-CB 3.25Å; S1015-N1019 PolarHBondContact O-N 3.15Å; S1015-N1019 PolarHBondContact O-ND2 2.94Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 2.7Å
1020R80.9Confident89.4Confident125 Ų12556 Ų5647%0.47229%0.29SS..THydrogen-bonded Turntrans-124.3-25.4-175.7-72.9178.717671.82.3114.6F1016 V1017 I1018F1016-R1020 VanDerWaalsContact CD2-NH1 3.27Å; F1016-R1020 VanDerWaalsContact CE2-CZ 3.44Å; F1016-R1020 WeakPolarHBondContact O-CD 3.5Å; F1016-R1020 WeakPolarHBondContact O-CG 3.37Å; F1016-R1020 PolarHBondContact O-NH1 3.15Å; V1017-R1020 PolarHBondContact O-N 3.35Å; I1018-R1020 PolarHBondContact O-N 2.86Å
1021F83.1Confident89.8Confident23 Ų2359.2 Ų59.210%0.10129%0.294CS..SBendtrans-126.6155.2-173.2-53.5-71.6000112W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.06Å; W964-F1021 HydrophobicContact CZ3-CG 4.5Å; A968-F1021 VanDerWaalsContact CA-CE1 3.42Å; A968-F1021 HydrophobicContact CB-CD1 3.59Å; A968-F1021 HydrophobicContact CB-CE1 3.37Å; A968-F1021 HydrophobicContact CB-CE2 4.35Å; A968-F1021 HydrophobicContact CB-CG 4.17Å; A968-F1021 HydrophobicContact CB-CZ 3.78Å; L971-F1021 HydrophobicContact CB-CZ 4.09Å; L971-F1021 HydrophobicContact CD1-CE1 4.42Å; L971-F1021 HydrophobicContact CD1-CZ 4.18Å; L971-F1021 HydrophobicContact CD2-CZ 3.98Å; L971-F1021 HydrophobicContact CG-CZ 4.3Å; V972-F1021 HydrophobicContact CG2-CE2 3.87Å; V972-F1021 HydrophobicContact CG2-CZ 4.37Å; V1017-F1021 HydrophobicContact CB-CD2 4.32Å; V1017-F1021 HydrophobicContact CG1-CD2 3.95Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.44Å; V1017-F1021 PolarHBondContact O-N 3.26Å; F1021-S1023 PolarHBondContact O-N 3.11Å
1022R80Confident90.1Very high99 Ų9958 Ų5837%0.37429%0.285SS..  trans-73.194169.7-72.7-168.8-169.5-155.20.3109.6K764 E958K764-R1022 VanDerWaalsContact CE-CZ 3.46Å; E958-R1022 HydrophobicContact CB-CB 4.2Å; E958-R1022 HydrophobicContact CG-CB 4.22Å; E958-R1022 PolarHBondContact N-O 3.29Å; E958-R1022 VanDerWaalsContact OE2-CB 3.32Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.46Å
1023S87.9Confident90.2Very high16 Ų1656 Ų5611%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-139.8149-176.161.10000112.2Q956 W964 F1021Q956-S1023 CarbonylContact O-C 3.46Å; Q956-S1023 VanDerWaalsContact O-CA 3.28Å; Q956-S1023 WeakPolarHBondContact O-CA 3.22Å; Q956-S1023 WeakPolarHBondContact O-CB 3.49Å; W964-S1023 VanDerWaalsContact CH2-CB 3.48Å; F1021-S1023 PolarHBondContact O-N 3.11Å
1024H89Confident90.2Very high64 Ų6458.6 Ų58.630%0.29629%0.288SS..EExtended strand (participates in β ladder)trans-121143.7176.5174.471.2000109.5R767 Q956R767-H1024 WeakPolarHBondContact CD-NE2 3.18Å; R767-H1024 PolarHBondContact NE-CD2 3.07Å; R767-H1024 PolarHBondContact NE-NE2 3.08Å; Q956-H1024 HydrophobicContact CG-CB 4.45Å; Q956-H1024 WeakPolarHBondContact CG-O 3.35Å; Q956-H1024 PolarHBondContact N-O 3.44Å; Q956-H1024 PolarHBondContact NE2-CD2 3.05Å; Q956-H1024 PolarHBondContact O-N 2.92Å
1025Q91.5Very high90.1Very high68 Ų6860.2 Ų60.232%0.31831%0.305SS..EExtended strand (participates in β ladder)trans-105.4114.1171.5-173.4167.122.400108.9G954 E1027G954-Q1025 WeakPolarHBondContact O-CA 3.39Å; Q1025-E1027 PolarHBondContact O-N 2.71Å
1026D91.3Very high90.1Very high16 Ų1658.2 Ų58.29%0.08629%0.289CS..  trans-83.898.3177.4-168.7-27.3000109.8G954 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 3.1Å; D1026-C1028 PolarHBondContact O-N 3.39Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.21Å; D1026-C1028 PolarHBondContact OD1-N 2.1Å; D1026-C1028 VanDerWaalsContact OD1-N 3.13Å; D1026-C1029 HydrophobicContact CB-CB 4.29Å; D1026-C1029 WeakPolarHBondContact O-CB 3.11Å; D1026-C1029 PolarHBondContact O-N 2.59Å; D1026-C1029 PolarHBondContact OD1-N 2.55Å; D1026-K1032 IonicContact OD1-NZ 2.78Å; D1026-K1032 IonicContact OD2-NZ 3.86Å; D1026-K1032 PolarHBondContact OD2-NZ 2.55Å
1027E90.7Very high90.2Very high184 Ų18458.5 Ų58.586%0.8629%0.293SS*.THydrogen-bonded Turntrans-60.5-26.7179.4-60.5-173.7163.700112.6Q1025 C1029Q1025-E1027 PolarHBondContact O-N 2.71Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 3.45Å
1028C91.3Very high90.2Very high66 Ų6666.8 Ų66.845%0.44633%0.329SS..THydrogen-bonded Turntrans-81.7-1.8178.1-65.90000113.4D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3.39Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.21Å; D1026-C1028 PolarHBondContact OD1-N 2.1Å; D1026-C1028 VanDerWaalsContact OD1-N 3.13Å; C1028-Q1030 VanDerWaalsContact C-N 3.3Å; C1028-Q1030 PolarHBondContact O-N 2.84Å; C1028-L1031 WeakPolarHBondContact O-CB 3.3Å; C1028-L1031 PolarHBondContact O-N 2.69Å; C1028-K1032 WeakPolarHBondContact O-CG 3.4Å; C1028-K1032 PolarHBondContact O-N 3.41Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å
1029C94.6Very high90.3Very high0 Ų066.3 Ų66.30%033%0.333CS..Hα-helixtrans-55.7-38.2-176.4-1740000113.7L953 G954 D1026 E1027 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.17Å; L953-C1029 HydrophobicContact CG-CB 4.39Å; G954-C1029 PolarHBondContact N-SG 3.35Å; D1026-C1029 HydrophobicContact CB-CB 4.29Å; D1026-C1029 WeakPolarHBondContact O-CB 3.11Å; D1026-C1029 PolarHBondContact O-N 2.59Å; D1026-C1029 PolarHBondContact OD1-N 2.55Å; E1027-C1029 VanDerWaalsContact C-N 3.28Å; E1027-C1029 PolarHBondContact O-N 3.45Å; C1029-K1032 PolarHBondContact O-N 2.9Å; C1029-L1033 WeakPolarHBondContact O-CG 3.34Å; C1029-L1033 PolarHBondContact O-N 2.95Å
1030Q94.3Very high90.5Very high40 Ų4061.4 Ų61.419%0.18731%0.308CS..Hα-helixtrans-64.6-44.6176.5-169.860.260.600111.3L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD2-CB 4.19Å; S994-Q1030 PolarHBondContact OG-NE2 3.21Å; S994-Q1030 PolarHBondContact OG-OE1 3.44Å; C1028-Q1030 VanDerWaalsContact C-N 3.3Å; C1028-Q1030 PolarHBondContact O-N 2.84Å; Q1030-K1032 VanDerWaalsContact C-N 3.26Å; Q1030-K1032 PolarHBondContact O-N 3.09Å; Q1030-L1033 PolarHBondContact O-N 3.02Å; Q1030-D1034 PolarHBondContact NE2-OD1 2.82Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.45Å; Q1030-D1034 PolarHBondContact O-N 2.81Å
1031L94.7Very high90.9Very high118 Ų11859.8 Ų59.862%0.61831%0.305SS*.Hα-helixtrans-62-36.5-179.7-61.3174.4000111.7C1028 A1035C1028-L1031 WeakPolarHBondContact O-CB 3.3Å; C1028-L1031 PolarHBondContact O-N 2.69Å; L1031-A1035 WeakPolarHBondContact O-CB 3.5Å; L1031-A1035 PolarHBondContact O-N 3.46Å
1032K94.6Very high90.9Very high55 Ų5563.3 Ų63.324%0.23933%0.325CS..Hα-helixtrans-67.2-44.9174.8-63.9174.1-178.8-177.90112F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.42Å; F800-K1032 WeakPolarHBondContact O-CD 3.48Å; D802-K1032 HydrophobicContact CB-CD 4.41Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D802-K1032 IonicContact OD2-NZ 2.63Å; D802-K1032 PolarHBondContact OD2-NZ 3.45Å; D1026-K1032 IonicContact OD1-NZ 2.78Å; D1026-K1032 IonicContact OD2-NZ 3.86Å; D1026-K1032 PolarHBondContact OD2-NZ 2.55Å; C1028-K1032 WeakPolarHBondContact O-CG 3.4Å; C1028-K1032 PolarHBondContact O-N 3.41Å; C1028-K1032 VanDerWaalsContact O-N 3.12Å; C1029-K1032 PolarHBondContact O-N 2.9Å; Q1030-K1032 VanDerWaalsContact C-N 3.26Å; Q1030-K1032 PolarHBondContact O-N 3.09Å; K1032-A1035 PolarHBondContact O-N 2.83Å; K1032-M1036 WeakPolarHBondContact O-CB 3.49Å; K1032-M1036 PolarHBondContact O-N 2.82Å
1033L94.5Very high90.8Very high1 Ų159.6 Ų59.61%0.00531%0.314CS..Hα-helixtrans-63.8-41.1175.5-70.8168.5000111.7L953 I996 F1001 C1029 Q1030 A1035 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.74Å; I996-L1033 HydrophobicContact CD1-CB 3.86Å; F1001-L1033 HydrophobicContact CD1-CD1 4.05Å; F1001-L1033 HydrophobicContact CD2-CD1 4.46Å; F1001-L1033 HydrophobicContact CE1-CD1 3.71Å; F1001-L1033 HydrophobicContact CE2-CD1 4.17Å; F1001-L1033 HydrophobicContact CG-CD1 4.41Å; F1001-L1033 HydrophobicContact CZ-CD1 3.78Å; F1001-L1033 HydrophobicContact CZ-CD2 4.19Å; C1029-L1033 WeakPolarHBondContact O-CG 3.34Å; C1029-L1033 PolarHBondContact O-N 2.95Å; Q1030-L1033 PolarHBondContact O-N 3.02Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-A1035 PolarHBondContact O-N 2.97Å; L1033-M1036 HydrophobicContact CD2-CE 3.94Å; L1033-M1036 WeakPolarHBondContact O-CB 3.41Å; L1033-M1036 PolarHBondContact O-N 2.93Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.36Å; L1033-V1037 PolarHBondContact O-N 3.11Å
1034D93.9Very high89.9Confident55 Ų5563.5 Ų63.529%0.29434%0.339SS..Hα-helixtrans-64.5-38.4175.4-64.5-13.6000111.7Q1030 K1038Q1030-D1034 PolarHBondContact NE2-OD1 2.82Å; Q1030-D1034 WeakPolarHBondContact O-CB 3.45Å; Q1030-D1034 PolarHBondContact O-N 2.81Å; D1034-K1038 WeakPolarHBondContact O-CB 3.48Å; D1034-K1038 WeakPolarHBondContact O-CD 3.39Å; D1034-K1038 VanDerWaalsContact O-CG 3.23Å; D1034-K1038 WeakPolarHBondContact O-CG 3.44Å; D1034-K1038 PolarHBondContact O-N 3.44Å
1035A92.8Very high88.8Confident54 Ų5467.2 Ų67.245%0.44635%0.351SS..Hα-helixtrans-66.2-44.8174.300000111.7L1031 K1032 L1033 V1037 K1038 S1039L1031-A1035 WeakPolarHBondContact O-CB 3.5Å; L1031-A1035 PolarHBondContact O-N 3.46Å; K1032-A1035 PolarHBondContact O-N 2.83Å; L1033-A1035 VanDerWaalsContact C-N 3.34Å; L1033-A1035 PolarHBondContact O-N 2.97Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.21Å; A1035-K1038 PolarHBondContact O-N 3.14Å; A1035-S1039 WeakPolarHBondContact O-CB 3.5Å; A1035-S1039 PolarHBondContact O-N 3.42Å; A1035-S1039 PolarHBondContact O-OG 2.66Å
1036M92.2Very high86.5Confident9 Ų973.7 Ų73.74%0.04438%0.384CS..Hα-helixtrans-55.1-48.9173.3178.5-1666700111M797 M814 I996 K1032 L1033 K1038 S1039 S1040M797-M1036 HydrophobicContact CG-CG 4.27Å; M797-M1036 HydrophobicContact CG-SD 3.59Å; M797-M1036 VanDerWaalsContact CG-SD 3.59Å; M797-M1036 HydrophobicContact SD-CB 4.3Å; M797-M1036 HydrophobicContact SD-CG 3.9Å; M797-M1036 HydrophobicContact SD-SD 3.71Å; M814-M1036 HydrophobicContact CB-CG 4.27Å; M814-M1036 HydrophobicContact CE-CE 3.82Å; M814-M1036 HydrophobicContact SD-CE 3.91Å; I996-M1036 HydrophobicContact CG2-CE 4.41Å; K1032-M1036 WeakPolarHBondContact O-CB 3.49Å; K1032-M1036 PolarHBondContact O-N 2.82Å; L1033-M1036 HydrophobicContact CD2-CE 3.94Å; L1033-M1036 WeakPolarHBondContact O-CB 3.41Å; L1033-M1036 PolarHBondContact O-N 2.93Å; M1036-K1038 PolarHBondContact O-N 3.03Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.13Å; M1036-S1039 PolarHBondContact O-N 3.32Å; M1036-S1039 PolarHBondContact O-OG 3.01Å; M1036-S1040 PolarHBondContact O-N 3.3Å
1037V92.6Very high86.3Confident34 Ų3476.6 Ų76.621%0.20640%0.399CS..Hα-helixtrans-59.9-45.6177.2164.40000111.9M814 V819 I996 L1033 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.28Å; V819-V1037 HydrophobicContact CG1-CG1 3.6Å; V819-V1037 HydrophobicContact CG1-CG2 4.47Å; V819-V1037 HydrophobicContact CG2-CG1 4.31Å; I996-V1037 HydrophobicContact CD1-CG2 4.09Å; I996-V1037 HydrophobicContact CG1-CG2 4.44Å; I996-V1037 HydrophobicContact CG2-CG2 3.67Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.36Å; L1033-V1037 PolarHBondContact O-N 3.11Å; A1035-V1037 VanDerWaalsContact C-N 3.35Å; A1035-V1037 PolarHBondContact O-N 3.21Å; V1037-S1039 VanDerWaalsContact C-N 3.26Å; V1037-S1039 PolarHBondContact O-N 2.94Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.05Å; V1037-S1040 PolarHBondContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 3.06Å
1038K92Very high86.1Confident174 Ų17470.9 Ų70.976%0.75737%0.374SS*.Hα-helixtrans-64-29.7176.7-72.4165.4-174.3170.80113.1D1034 A1035 M1036 S1040D1034-K1038 WeakPolarHBondContact O-CB 3.48Å; D1034-K1038 WeakPolarHBondContact O-CD 3.39Å; D1034-K1038 VanDerWaalsContact O-CG 3.23Å; D1034-K1038 WeakPolarHBondContact O-CG 3.44Å; D1034-K1038 PolarHBondContact O-N 3.44Å; A1035-K1038 PolarHBondContact O-N 3.14Å; M1036-K1038 PolarHBondContact O-N 3.03Å; K1038-S1040 VanDerWaalsContact C-N 3.28Å; K1038-S1040 PolarHBondContact O-N 2.91Å
1039S89.3Confident85.8Confident63 Ų6371.2 Ų71.244%0.44137%0.37SS..THydrogen-bonded Turntrans-84.16.3177.6730000114.6A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.5Å; A1035-S1039 PolarHBondContact O-N 3.42Å; A1035-S1039 PolarHBondContact O-OG 2.66Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.13Å; M1036-S1039 PolarHBondContact O-N 3.32Å; M1036-S1039 PolarHBondContact O-OG 3.01Å; V1037-S1039 VanDerWaalsContact C-N 3.26Å; V1037-S1039 PolarHBondContact O-N 2.94Å
1040S90.1Very high85.3Confident25 Ų2575.4 Ų75.418%0.17539%0.392CS..  trans-62.4137.8-176.554.50000113.1M814 M1036 V1037 K1038M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.18Å; M814-S1040 WeakPolarHBondContact O-CB 3.49Å; M1036-S1040 PolarHBondContact O-N 3.3Å; V1037-S1040 VanDerWaalsContact O-CB 3.29Å; V1037-S1040 WeakPolarHBondContact O-CB 3.05Å; V1037-S1040 PolarHBondContact O-N 3.17Å; V1037-S1040 PolarHBondContact O-OG 3.06Å; K1038-S1040 VanDerWaalsContact C-N 3.28Å; K1038-S1040 PolarHBondContact O-N 2.91Å
1041K87.6Confident84.7Confident91 Ų9177.6 Ų77.640%0.39641%0.405SS..BIsolated β-bridgetrans-111.9161.3-178-58.9-171.4-172179.90110.4E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 3.17Å; E784-K1041 PolarHBondContact OE1-NZ 3.18Å; V813-K1041 HydrophobicContact CG1-CB 3.92Å; V813-K1041 HydrophobicContact CG1-CD 3.92Å; V813-K1041 HydrophobicContact CG1-CG 3.72Å; M814-K1041 PolarHBondContact O-N 3.27Å; M814-K1041 VanDerWaalsContact O-N 3.12Å; W815-K1041 CarbonylContact C-O 3.52Å; W815-K1041 VanDerWaalsContact CA-O 3.23Å; W815-K1041 WeakPolarHBondContact CA-O 3.29Å; R816-K1041 PolarHBondContact N-O 3.01Å
1042D85.1Confident84Confident97 Ų9774.9 Ų74.952%0.51939%0.391SS..  trans-66.8150.8172.3-64.6-53.5000110.8R816R816-D1042 WeakPolarHBondContact CD-OD1 3.48Å; R816-D1042 IonicContact CZ-OD1 3.65Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.26Å; R816-D1042 IonicContact CZ-OD2 3.86Å; R816-D1042 IonicContact NE-OD1 2.73Å; R816-D1042 IonicContact NH1-OD1 3.62Å; R816-D1042 PolarHBondContact NH1-OD1 3.37Å; R816-D1042 IonicContact NH1-OD2 3.77Å; R816-D1042 PolarHBondContact NH1-OD2 3.45Å; R816-D1042 IonicContact NH2-OD2 2.62Å; R816-D1042 PolarHBondContact NH2-OD2 3.13Å
1043C77.7Confident83.3Confident22 Ų2276.3 Ų76.315%0.14940%0.402CS..  trans-73.3123.5174-177.60000109.1W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.43Å; W815-C1043 HydrophobicContact CD2-CB 3.86Å; W815-C1043 HydrophobicContact CE3-CB 4.19Å; W815-C1043 HydrophobicContact CG-CB 3.98Å; C1043-Y1045 PolarHBondContact O-N 2.85Å; C1043-Y1045 VanDerWaalsContact O-N 3.13Å; C1043-M1046 HydrophobicContact CB-CG 4.17Å
1044P68.9Low82.4Confident97 Ų9782.1 Ų82.163%0.6343%0.432SS*.THydrogen-bonded Turntrans-76.76.2-177.932.6-36.3000113.9
1045Y64.4Low81.5Confident143 Ų14384.3 Ų84.356%0.56144%0.444SS*.THydrogen-bonded Turntrans-124.822.5-177.5-51.4-69.7000112.7W815 C1043W815-Y1045 HydrophobicContact CZ2-CD2 4.46Å; C1043-Y1045 PolarHBondContact O-N 2.85Å; C1043-Y1045 VanDerWaalsContact O-N 3.13Å
1046M44.8Very low80.4Confident203 Ų20387.1 Ų87.1100%144%0.443SS*.  trans-98.40169.6-84-168.6170.800111.3D817 C1043D817-M1046 HydrophobicContact CB-CE 4.27Å; C1043-M1046 HydrophobicContact CB-CG 4.17Å

Retrieved 1,046 of 1,046 residues in 2414.8 ms (Link to these results)

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