A0A5K4F6C3_SCHMA Loading...

U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F6C3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 612 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
1M92.1Very high93.4Very high50 Ų5084.6 Ų84.625%0.24638%0.38CS..  01600-62-178.7-170.400109.4N5 K8 P74 C272 Q273M1-N5 HydrophobicContact CB-CB 4.1Å; M1-K8 HydrophobicContact CB-CB 4.21Å; M1-P74 HydrophobicContact CE-CB 4.19Å; M1-P74 HydrophobicContact SD-CB 4.46Å; M1-C272 WeakPolarHBondContact CA-O 3.43Å; M1-C272 VanDerWaalsContact CG-O 3.23Å; M1-C272 WeakPolarHBondContact CG-O 3.41Å; M1-C272 PolarHBondContact N-O 2.87Å; M1-Q273 HydrophobicContact CE-CB 3.86Å; M1-Q273 HydrophobicContact CG-CB 4.17Å
2H94.6Very high93.4Very high16 Ų1681.4 Ų81.47%0.07437%0.373CS..  trans-52.6143.1172.3-168.3-82.3000111R4 N5 K8 N78 L81 D85 Y269H2-R4 PolarHBondContact ND1-N 3.46Å; H2-R4 VanDerWaalsContact ND1-N 3.19Å; H2-R4 PolarHBondContact O-N 3.48Å; H2-N5 HydrophobicContact CB-CB 4.21Å; H2-N5 WeakPolarHBondContact O-CB 3.43Å; H2-N5 PolarHBondContact O-N 3.49Å; H2-K8 WeakPolarHBondContact O-CD 3.33Å; H2-N78 WeakPolarHBondContact CB-OD1 3.34Å; H2-N78 PolarHBondContact N-OD1 3.39Å; H2-L81 HydrophobicContact CB-CB 4.3Å; H2-L81 HydrophobicContact CB-CD1 4.02Å; H2-D85 IonicContact CE1-OD2 2.68Å; H2-D85 PolarHBondContact CE1-OD2 3.27Å; H2-D85 VanDerWaalsContact CE1-OD2 3.23Å; H2-D85 IonicContact NE2-OD2 3.42Å; H2-D85 PolarHBondContact NE2-OD2 2.82Å; H2-Y269 PolarHBondContact CD2-OH 3.2Å
3Q93.2Very high93.5Very high102 Ų10280.5 Ų80.548%0.47737%0.373SS..THydrogen-bonded Turntrans-56.3-39.4-175.8-176.562.322.800112.7N5Q3-N5 VanDerWaalsContact C-N 3.29Å; Q3-N5 PolarHBondContact O-N 3.23Å
4R95.2Very high93.7Very high91 Ų9177.9 Ų77.934%0.34336%0.36SS..THydrogen-bonded Turntrans-84.27.4179.5-58.7-177.1-70132.115.3114.4H2 I6 L81 E84 D85 K88H2-R4 PolarHBondContact ND1-N 3.46Å; H2-R4 VanDerWaalsContact ND1-N 3.19Å; H2-R4 PolarHBondContact O-N 3.48Å; R4-I6 PolarHBondContact O-N 2.85Å; R4-L81 VanDerWaalsContact C-CD1 3.45Å; R4-L81 HydrophobicContact CB-CD1 4.25Å; R4-L81 HydrophobicContact CB-CD2 4.01Å; R4-L81 PolarHBondContact NH2-O 2.97Å; R4-L81 WeakPolarHBondContact O-CD1 3.32Å; R4-E84 IonicContact CZ-OE2 2.9Å; R4-E84 VanDerWaalsContact CZ-OE2 3.29Å; R4-E84 IonicContact NH1-OE2 3.42Å; R4-E84 PolarHBondContact NH1-OE2 3.43Å; R4-E84 IonicContact NH2-OE2 2.72Å; R4-E84 PolarHBondContact NH2-OE2 2.82Å; R4-D85 IonicContact CZ-OD1 3.94Å; R4-D85 IonicContact CZ-OD2 3.17Å; R4-D85 IonicContact NE-OD1 3.2Å; R4-D85 IonicContact NE-OD2 3.57Å; R4-D85 IonicContact NH2-OD1 3.06Å; R4-D85 PolarHBondContact NH2-OD1 2.83Å; R4-D85 IonicContact NH2-OD2 3.59Å; R4-D85 PolarHBondContact NH2-OD2 2.75Å; R4-K88 VanDerWaalsContact NH1-NZ 3.2Å
5N96.5Very high93.8Very high3 Ų382.9 Ų82.92%0.01638%0.38CS..  trans-78.1120.3177.1-169.6-41.8000109.5M1 H2 Q3 Y7 K8 P74 N78 L81M1-N5 HydrophobicContact CB-CB 4.1Å; H2-N5 HydrophobicContact CB-CB 4.21Å; H2-N5 WeakPolarHBondContact O-CB 3.43Å; H2-N5 PolarHBondContact O-N 3.49Å; Q3-N5 VanDerWaalsContact C-N 3.29Å; Q3-N5 PolarHBondContact O-N 3.23Å; N5-Y7 PolarHBondContact O-N 3.18Å; N5-Y7 VanDerWaalsContact O-N 3.11Å; N5-Y7 WeakPolarHBondContact OD1-CB 3.33Å; N5-Y7 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y7 PolarHBondContact OD1-N 3.45Å; N5-K8 HydrophobicContact CB-CB 4.46Å; N5-K8 WeakPolarHBondContact O-CB 3.44Å; N5-K8 PolarHBondContact O-N 3.11Å; N5-P74 PolarHBondContact ND2-O 3.36Å; N5-N78 PolarHBondContact ND2-OD1 2.79Å; N5-L81 HydrophobicContact CB-CD1 3.83Å
6I96Very high94Very high81 Ų8184.8 Ų84.842%0.41539%0.39SS..Hα-helixtrans-56.5-30.5-177.662.9177.7000112.6R4 K8 K10 D57 F58 L77R4-I6 PolarHBondContact O-N 2.85Å; I6-K8 VanDerWaalsContact C-N 3.28Å; I6-K8 PolarHBondContact O-N 3.07Å; I6-K10 PolarHBondContact O-N 3.36Å; I6-D57 HydrophobicContact CD1-CB 3.79Å; I6-F58 HydrophobicContact CD1-CE2 4.14Å; I6-F58 HydrophobicContact CD1-CZ 3.85Å; I6-L77 HydrophobicContact CG1-CD2 4.02Å
7Y95.7Very high94.2Very high14 Ų1480.4 Ų80.46%0.05537%0.37CS..Hα-helixtrans-80.9-4178.8-52.4-63.7000114N5 K10 P12 L53 D57 V73 P74 L77N5-Y7 PolarHBondContact O-N 3.18Å; N5-Y7 VanDerWaalsContact O-N 3.11Å; N5-Y7 WeakPolarHBondContact OD1-CB 3.33Å; N5-Y7 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y7 PolarHBondContact OD1-N 3.45Å; Y7-K10 WeakPolarHBondContact CA-O 3.41Å; Y7-P12 HydrophobicContact CD1-CG 3.91Å; Y7-P12 HydrophobicContact CE1-CG 4.07Å; Y7-L53 HydrophobicContact CE1-CD1 4.46Å; Y7-L53 HydrophobicContact CE1-CD2 3.93Å; Y7-D57 WeakPolarHBondContact CE1-OD2 3.29Å; Y7-D57 VanDerWaalsContact CZ-OD2 3.23Å; Y7-D57 PolarHBondContact OH-OD2 3.07Å; Y7-V73 HydrophobicContact CE2-CG1 4.05Å; Y7-P74 HydrophobicContact CD2-CB 3.8Å; Y7-P74 HydrophobicContact CD2-CG 3.65Å; Y7-P74 HydrophobicContact CE2-CG 4.08Å; Y7-P74 HydrophobicContact CG-CB 4.37Å; Y7-P74 HydrophobicContact CG-CG 4.07Å; Y7-L77 HydrophobicContact CD2-CD2 4.29Å; Y7-L77 HydrophobicContact CE2-CD2 4.22Å
8K93.3Very high94.3Very high81 Ų8176.2 Ų76.235%0.35235%0.352SS..Hα-helixtrans-68.6-42.4174.5-175.5173.8-178.31650111.1M1 H2 N5 I6 D295M1-K8 HydrophobicContact CB-CB 4.21Å; H2-K8 WeakPolarHBondContact O-CD 3.33Å; N5-K8 HydrophobicContact CB-CB 4.46Å; N5-K8 WeakPolarHBondContact O-CB 3.44Å; N5-K8 PolarHBondContact O-N 3.11Å; I6-K8 VanDerWaalsContact C-N 3.28Å; I6-K8 PolarHBondContact O-N 3.07Å; K8-D295 IonicContact NZ-OD2 3.95Å; K8-D295 PolarHBondContact NZ-OD2 2.83Å
9Q88.3Confident94.4Very high166 Ų16677 Ų7778%0.77637%0.373SS*.Hα-helixtrans-97.9-37.6-176.7-64.8177.6-2.600112
10K90.3Very high94.6Very high146 Ų14679.2 Ų79.264%0.63538%0.38SS*.SBendtrans-117105.3-176.9-171.4177.3179.5-178.40110.7I6 Y7I6-K10 PolarHBondContact O-N 3.36Å; Y7-K10 WeakPolarHBondContact CA-O 3.41Å
11K92.1Very high94.7Very high181 Ų18176.5 Ų76.579%0.78737%0.367SS*.  trans-66.1144170.8-68179.8-176.9171.50109.6N13K11-N13 PolarHBondContact O-N 3.39Å
12P93.6Very high95Very high46 Ų4680.8 Ų80.830%0.29939%0.391SS..  trans-57.8132.8173.4-24.934.6000111.7Y7 F14 L17 L53Y7-P12 HydrophobicContact CD1-CG 3.91Å; Y7-P12 HydrophobicContact CE1-CG 4.07Å; P12-F14 HydrophobicContact CB-CD1 4.26Å; P12-F14 HydrophobicContact CB-CE1 3.98Å; P12-L17 HydrophobicContact CB-CD1 4.3Å; P12-L53 HydrophobicContact CB-CD2 3.8Å; P12-L53 HydrophobicContact CG-CD1 4.36Å; P12-L53 HydrophobicContact CG-CD2 3.7Å
13N94.8Very high95.1Very high69 Ų6983.1 Ų83.137%0.36940%0.401SS..  trans-90.4103.7173.7-174.6-16.8000109.4K11 K15 E16 L17K11-N13 PolarHBondContact O-N 3.39Å; N13-K15 PolarHBondContact O-N 2.81Å; N13-K15 WeakPolarHBondContact OD1-CB 3.39Å; N13-K15 PolarHBondContact OD1-N 2.96Å; N13-K15 VanDerWaalsContact OD1-N 3.1Å; N13-E16 HydrophobicContact CB-CB 4.07Å; N13-E16 HydrophobicContact CB-CG 4.04Å; N13-E16 VanDerWaalsContact ND2-CD 3.29Å; N13-E16 WeakPolarHBondContact ND2-CG 3.32Å; N13-E16 PolarHBondContact ND2-OE1 3.1Å; N13-E16 PolarHBondContact O-N 3.43Å; N13-E16 PolarHBondContact OD1-N 3.19Å; N13-L17 WeakPolarHBondContact O-CG 3.42Å; N13-L17 PolarHBondContact O-N 2.92Å
14F96.4Very high95.3Very high45 Ų4578.3 Ų78.320%0.19738%0.378CS..Hα-helixtrans-64.8-28.1-176.6-63.3-14.3000113.2P12 L17 A18 F24 V36 L38 F40 L49P12-F14 HydrophobicContact CB-CD1 4.26Å; P12-F14 HydrophobicContact CB-CE1 3.98Å; F14-L17 HydrophobicContact CD1-CD1 4.33Å; F14-L17 PolarHBondContact O-N 2.97Å; F14-A18 WeakPolarHBondContact O-CB 3.42Å; F14-A18 PolarHBondContact O-N 3.21Å; F14-F24 HydrophobicContact CB-CE1 4.16Å; F14-F24 HydrophobicContact CB-CZ 4.1Å; F14-F24 HydrophobicContact CD1-CZ 4.03Å; F14-F24 HydrophobicContact CG-CZ 4.13Å; F14-F24 WeakPolarHBondContact O-CE1 3.48Å; F14-V36 HydrophobicContact CB-CB 4.12Å; F14-V36 HydrophobicContact CB-CG1 3.94Å; F14-L38 HydrophobicContact CD2-CG 4.38Å; F14-L38 HydrophobicContact CE2-CD1 4.28Å; F14-L38 HydrophobicContact CE2-CG 4.36Å; F14-L38 HydrophobicContact CZ-CD1 4.32Å; F14-F40 HydrophobicContact CE2-CZ 4.17Å; F14-F40 AromaticContact CZ-CZ 3.99Å; F14-F40 HydrophobicContact CZ-CZ 3.99Å; F14-L49 HydrophobicContact CD1-CD1 4.12Å; F14-L49 HydrophobicContact CE1-CD1 3.59Å; F14-L49 HydrophobicContact CE1-CD2 4.23Å; F14-L49 HydrophobicContact CZ-CD1 4.37Å; F14-L49 HydrophobicContact CZ-CD2 4.25Å
15K95.4Very high95.3Very high153 Ų15378.2 Ų78.267%0.66539%0.385SS*.Hα-helixtrans-66.9-42.4175.1-173.7179.6178.6179.60111.5N13 A19 V36N13-K15 PolarHBondContact O-N 2.81Å; N13-K15 WeakPolarHBondContact OD1-CB 3.39Å; N13-K15 PolarHBondContact OD1-N 2.96Å; N13-K15 VanDerWaalsContact OD1-N 3.1Å; K15-A19 WeakPolarHBondContact O-CB 3.35Å; K15-A19 PolarHBondContact O-N 3.43Å; K15-A19 VanDerWaalsContact O-N 3.07Å; K15-V36 HydrophobicContact CB-CG2 4.1Å; K15-V36 HydrophobicContact CG-CG2 4.33Å
16E96.1Very high95.4Very high113 Ų11382.1 Ų82.153%0.52842%0.417SS..Hα-helixtrans-65.9-40.7175.3-73.3169.8-152.500111.7N13 A19 K20N13-E16 HydrophobicContact CB-CB 4.07Å; N13-E16 HydrophobicContact CB-CG 4.04Å; N13-E16 VanDerWaalsContact ND2-CD 3.29Å; N13-E16 WeakPolarHBondContact ND2-CG 3.32Å; N13-E16 PolarHBondContact ND2-OE1 3.1Å; N13-E16 PolarHBondContact O-N 3.43Å; N13-E16 PolarHBondContact OD1-N 3.19Å; E16-A19 PolarHBondContact O-N 3.38Å; E16-K20 WeakPolarHBondContact O-CB 3.49Å; E16-K20 PolarHBondContact O-N 3.41Å; E16-K20 VanDerWaalsContact O-N 3.12Å
17L97.4Very high95.3Very high9 Ų979.6 Ų79.65%0.04741%0.406CS..Hα-helixtrans-65.7-41.8177.7-66.3179000112.1P12 N13 F14 K20 F21 F24 L49 A52 L53 N56P12-L17 HydrophobicContact CB-CD1 4.3Å; N13-L17 WeakPolarHBondContact O-CG 3.42Å; N13-L17 PolarHBondContact O-N 2.92Å; F14-L17 HydrophobicContact CD1-CD1 4.33Å; F14-L17 PolarHBondContact O-N 2.97Å; L17-K20 PolarHBondContact O-N 3.23Å; L17-F21 HydrophobicContact CD2-CD2 4.32Å; L17-F21 HydrophobicContact CD2-CE2 4.07Å; L17-F21 PolarHBondContact O-N 3.03Å; L17-F24 HydrophobicContact CB-CD1 3.89Å; L17-F24 HydrophobicContact CB-CD2 4.37Å; L17-F24 HydrophobicContact CB-CE1 3.81Å; L17-F24 HydrophobicContact CB-CE2 4.31Å; L17-F24 HydrophobicContact CB-CG 4.16Å; L17-F24 HydrophobicContact CB-CZ 4.03Å; L17-F24 HydrophobicContact CD1-CE2 4.17Å; L17-F24 HydrophobicContact CD1-CZ 4.19Å; L17-L49 HydrophobicContact CD1-CD1 3.97Å; L17-A52 HydrophobicContact CD1-CB 4.33Å; L17-A52 HydrophobicContact CD2-CB 4.27Å; L17-L53 HydrophobicContact CD1-CD2 4.08Å; L17-N56 HydrophobicContact CD2-CB 4.24Å
18A96.6Very high95.2Very high6 Ų680.2 Ų80.25%0.0541%0.414CS..Hα-helixtrans-62.5-44.3175.300000111.9F14 K20 F24 D25 A28 V36F14-A18 WeakPolarHBondContact O-CB 3.42Å; F14-A18 PolarHBondContact O-N 3.21Å; A18-K20 PolarHBondContact O-N 3.1Å; A18-F24 HydrophobicContact CB-CD1 3.84Å; A18-F24 HydrophobicContact CB-CE1 4.16Å; A18-D25 HydrophobicContact CB-CB 4.22Å; A18-A28 HydrophobicContact CB-CB 4.42Å; A18-V36 HydrophobicContact CB-CG1 4.31Å
19A96.4Very high95.3Very high91 Ų9180 Ų8075%0.75242%0.416SS*.Hα-helixtrans-64.5-24.7176.500000113.8K15 E16K15-A19 WeakPolarHBondContact O-CB 3.35Å; K15-A19 PolarHBondContact O-N 3.43Å; K15-A19 VanDerWaalsContact O-N 3.07Å; E16-A19 PolarHBondContact O-N 3.38Å
20K97.4Very high95.4Very high120 Ų12079.5 Ų79.552%0.52241%0.411SS..Hα-helixtrans-94.8-28.6-175.5-174.2171.4177.71770113.9E16 L17 A18 N56E16-K20 WeakPolarHBondContact O-CB 3.49Å; E16-K20 PolarHBondContact O-N 3.41Å; E16-K20 VanDerWaalsContact O-N 3.12Å; L17-K20 PolarHBondContact O-N 3.23Å; A18-K20 PolarHBondContact O-N 3.1Å; K20-N56 PolarHBondContact NZ-OD1 2.88Å
21F97.7Very high95.4Very high23 Ų2374.5 Ų74.510%0.10139%0.391CS..  trans-132.6109.7-171.4-59.5-69.1000111.5L17 F23 F24 D25 A52 M55 N56L17-F21 HydrophobicContact CD2-CD2 4.32Å; L17-F21 HydrophobicContact CD2-CE2 4.07Å; L17-F21 PolarHBondContact O-N 3.03Å; F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 HydrophobicContact CB-CD1 4.11Å; F21-F23 HydrophobicContact CB-CE1 3.66Å; F21-F23 HydrophobicContact CB-CE2 4.27Å; F21-F23 HydrophobicContact CB-CZ 3.74Å; F21-F23 AromaticContact CD1-CE1 3.8Å; F21-F23 HydrophobicContact CD1-CE1 3.8Å; F21-F23 HydrophobicContact CD1-CZ 4.03Å; F21-F23 AromaticContact CG-CE1 3.95Å; F21-F23 HydrophobicContact CG-CE1 3.95Å; F21-F23 AromaticContact CG-CZ 3.88Å; F21-F23 HydrophobicContact CG-CZ 3.88Å; F21-F23 PolarHBondContact O-N 3.09Å; F21-F24 HydrophobicContact CB-CB 4Å; F21-F24 WeakPolarHBondContact O-CA 3.37Å; F21-F24 WeakPolarHBondContact O-CB 3.27Å; F21-F24 PolarHBondContact O-N 3.39Å; F21-D25 PolarHBondContact O-N 3.41Å; F21-A52 HydrophobicContact CD2-CB 3.86Å; F21-A52 HydrophobicContact CE2-CB 4.2Å; F21-M55 HydrophobicContact CD1-SD 4.47Å; F21-M55 HydrophobicContact CE1-CB 3.94Å; F21-M55 HydrophobicContact CE1-CE 4.13Å; F21-M55 HydrophobicContact CE1-SD 4.22Å; F21-M55 HydrophobicContact CZ-CB 3.85Å; F21-N56 HydrophobicContact CE2-CB 4.05Å; F21-N56 HydrophobicContact CZ-CB 4.19Å
22D97.4Very high95.3Very high140 Ų14075.7 Ų75.775%0.74940%0.399SS*.Hα-helixtrans-54.4-39.1-178.6-59.7-11.4000113F24 D25 A26D22-F24 PolarHBondContact O-N 3.21Å; D22-D25 PolarHBondContact O-N 3.25Å; D22-A26 WeakPolarHBondContact O-CB 3.24Å; D22-A26 PolarHBondContact O-N 3.25Å
23F96.6Very high95.1Very high66 Ų6677.4 Ų77.429%0.28941%0.412SS..Hα-helixtrans-67.1-25.3177.767-100.8000113.2F21 A48 K51 A52 M55F21-F23 VanDerWaalsContact C-N 3.25Å; F21-F23 HydrophobicContact CB-CD1 4.11Å; F21-F23 HydrophobicContact CB-CE1 3.66Å; F21-F23 HydrophobicContact CB-CE2 4.27Å; F21-F23 HydrophobicContact CB-CZ 3.74Å; F21-F23 AromaticContact CD1-CE1 3.8Å; F21-F23 HydrophobicContact CD1-CE1 3.8Å; F21-F23 HydrophobicContact CD1-CZ 4.03Å; F21-F23 AromaticContact CG-CE1 3.95Å; F21-F23 HydrophobicContact CG-CE1 3.95Å; F21-F23 AromaticContact CG-CZ 3.88Å; F21-F23 HydrophobicContact CG-CZ 3.88Å; F21-F23 PolarHBondContact O-N 3.09Å; F23-A48 HydrophobicContact CD2-CB 4.18Å; F23-A48 WeakPolarHBondContact CE2-O 3.32Å; F23-K51 HydrophobicContact CD2-CD 4.47Å; F23-K51 HydrophobicContact CE1-CD 4.37Å; F23-K51 HydrophobicContact CE1-CG 4.46Å; F23-K51 HydrophobicContact CE2-CB 3.95Å; F23-K51 HydrophobicContact CE2-CD 4.1Å; F23-K51 HydrophobicContact CE2-CG 3.93Å; F23-K51 HydrophobicContact CZ-CB 4.22Å; F23-K51 HydrophobicContact CZ-CD 4.05Å; F23-K51 HydrophobicContact CZ-CG 3.76Å; F23-A52 HydrophobicContact CE2-CB 4.05Å; F23-A52 HydrophobicContact CZ-CB 4.2Å; F23-M55 HydrophobicContact CE1-SD 3.79Å; F23-M55 HydrophobicContact CZ-SD 3.86Å
24F97.5Very high94.8Very high0 Ų076.5 Ų76.50%042%0.418CS..Hα-helixtrans-81.6-44.1175.8-173.9-83000109.9F14 L17 A18 F21 D22 A26 V27 A28 L38 A48 L49 A52F14-F24 HydrophobicContact CB-CE1 4.16Å; F14-F24 HydrophobicContact CB-CZ 4.1Å; F14-F24 HydrophobicContact CD1-CZ 4.03Å; F14-F24 HydrophobicContact CG-CZ 4.13Å; F14-F24 WeakPolarHBondContact O-CE1 3.48Å; L17-F24 HydrophobicContact CB-CD1 3.89Å; L17-F24 HydrophobicContact CB-CD2 4.37Å; L17-F24 HydrophobicContact CB-CE1 3.81Å; L17-F24 HydrophobicContact CB-CE2 4.31Å; L17-F24 HydrophobicContact CB-CG 4.16Å; L17-F24 HydrophobicContact CB-CZ 4.03Å; L17-F24 HydrophobicContact CD1-CE2 4.17Å; L17-F24 HydrophobicContact CD1-CZ 4.19Å; A18-F24 HydrophobicContact CB-CD1 3.84Å; A18-F24 HydrophobicContact CB-CE1 4.16Å; F21-F24 HydrophobicContact CB-CB 4Å; F21-F24 WeakPolarHBondContact O-CA 3.37Å; F21-F24 WeakPolarHBondContact O-CB 3.27Å; F21-F24 PolarHBondContact O-N 3.39Å; D22-F24 PolarHBondContact O-N 3.21Å; F24-A26 VanDerWaalsContact C-N 3.27Å; F24-A26 PolarHBondContact O-N 3.44Å; F24-V27 VanDerWaalsContact O-CG2 3.24Å; F24-V27 WeakPolarHBondContact O-CG2 3.24Å; F24-V27 PolarHBondContact O-N 2.92Å; F24-A28 WeakPolarHBondContact O-CB 3.22Å; F24-A28 PolarHBondContact O-N 3Å; F24-A28 VanDerWaalsContact O-N 3.13Å; F24-L38 HydrophobicContact CE2-CD1 3.82Å; F24-L38 HydrophobicContact CE2-CD2 4.49Å; F24-L38 HydrophobicContact CZ-CD1 3.78Å; F24-L38 HydrophobicContact CZ-CD2 4.22Å; F24-L38 HydrophobicContact CZ-CG 4.23Å; F24-A48 HydrophobicContact CD2-CB 4.31Å; F24-L49 HydrophobicContact CE2-CB 3.96Å; F24-L49 HydrophobicContact CE2-CD1 3.69Å; F24-L49 HydrophobicContact CE2-CG 4.44Å; F24-L49 HydrophobicContact CZ-CD1 4.23Å; F24-A52 HydrophobicContact CB-CB 4.39Å; F24-A52 HydrophobicContact CD2-CB 3.72Å; F24-A52 HydrophobicContact CE2-CB 4.41Å; F24-A52 HydrophobicContact CG-CB 4.3Å
25D96.7Very high94.5Very high89 Ų8978.9 Ų78.948%0.47643%0.426SS..Hα-helixtrans-57.9-41.1174.7-167.456.4000111.9A18 F21 D22 V27 A28A18-D25 HydrophobicContact CB-CB 4.22Å; F21-D25 PolarHBondContact O-N 3.41Å; D22-D25 PolarHBondContact O-N 3.25Å; D25-V27 PolarHBondContact O-N 3.42Å; D25-V27 VanDerWaalsContact O-N 3.08Å; D25-A28 WeakPolarHBondContact O-CB 3.34Å; D25-A28 PolarHBondContact O-N 3.44Å
26A96.8Very high94.3Very high85 Ų8572.7 Ų72.770%0.70240%0.401SS*.THydrogen-bonded Turntrans-58.4-24.2179.400000114.7D22 F24D22-A26 WeakPolarHBondContact O-CB 3.24Å; D22-A26 PolarHBondContact O-N 3.25Å; F24-A26 VanDerWaalsContact C-N 3.27Å; F24-A26 PolarHBondContact O-N 3.44Å
27V95.9Very high94.2Very high29 Ų2969.7 Ų69.718%0.17639%0.39CS..THydrogen-bonded Turntrans-107.9-3.8176.2-58.20000112.7F24 D25 L38 H45 A48F24-V27 VanDerWaalsContact O-CG2 3.24Å; F24-V27 WeakPolarHBondContact O-CG2 3.24Å; F24-V27 PolarHBondContact O-N 2.92Å; D25-V27 PolarHBondContact O-N 3.42Å; D25-V27 VanDerWaalsContact O-N 3.08Å; V27-L38 HydrophobicContact CG2-CD2 4.22Å; V27-H45 PolarHBondContact O-CE1 3.06Å; V27-H45 PolarHBondContact O-ND1 2.94Å; V27-A48 HydrophobicContact CG2-CB 3.47Å; V27-A48 VanDerWaalsContact CG2-CB 3.47Å
28A93.3Very high94Very high26 Ų2670 Ų7022%0.21539%0.392CS..PPolyproline II helixtrans-76.8132.9-175.100000110.4A18 F24 D25 V36A18-A28 HydrophobicContact CB-CB 4.42Å; F24-A28 WeakPolarHBondContact O-CB 3.22Å; F24-A28 PolarHBondContact O-N 3Å; F24-A28 VanDerWaalsContact O-N 3.13Å; D25-A28 WeakPolarHBondContact O-CB 3.34Å; D25-A28 PolarHBondContact O-N 3.44Å; A28-V36 HydrophobicContact CB-CG1 3.61Å
29I94.1Very high93.8Very high77 Ų7771.3 Ų71.340%0.39540%0.398SS..EExtended strand (participates in β ladder)trans-102141.9177.1-57.9166.2000107.5V36 V37 D39I29-V36 CarbonylContact O-C 3.6Å; I29-V36 WeakPolarHBondContact O-CA 3.45Å; I29-V37 HydrophobicContact CB-CG2 3.99Å; I29-V37 HydrophobicContact CG2-CG2 4.2Å; I29-V37 PolarHBondContact N-O 3.11Å; I29-V37 WeakPolarHBondContact O-CG2 3.35Å; I29-V37 PolarHBondContact O-N 3.21Å; I29-D39 HydrophobicContact CD1-CB 4.27Å
30K91.8Very high93.5Very high156 Ų15670.4 Ų70.468%0.67838%0.378SS*.EExtended strand (participates in β ladder)trans-96.5126.5168-66.7178-176.5172.80108.5R35K30-R35 WeakPolarHBondContact CA-O 3.43Å
31D90.4Very high93Very high40 Ų4072.3 Ų72.321%0.21438%0.381CS..  trans-76.7179.4171.673.62.3000111.7C33 G34 R35 V37D31-C33 PolarHBondContact O-N 3.46Å; D31-C33 VanDerWaalsContact O-N 3.13Å; D31-C33 WeakPolarHBondContact OD1-CA 3.47Å; D31-C33 PolarHBondContact OD1-N 3.27Å; D31-G34 PolarHBondContact O-N 3.08Å; D31-G34 PolarHBondContact OD1-N 3.37Å; D31-G34 VanDerWaalsContact OD1-N 3.11Å; D31-R35 PolarHBondContact N-O 3.22Å; D31-R35 WeakPolarHBondContact OD1-CA 3.49Å; D31-R35 WeakPolarHBondContact OD1-CB 3.01Å; D31-R35 PolarHBondContact OD1-N 3.42Å; D31-R35 IonicContact OD1-NE 2.87Å; D31-R35 IonicContact OD2-CZ 2.66Å; D31-R35 IonicContact OD2-NE 3.89Å; D31-R35 PolarHBondContact OD2-NE 2.97Å; D31-R35 IonicContact OD2-NH2 3.71Å; D31-R35 PolarHBondContact OD2-NH2 2.86Å; D31-V37 HydrophobicContact CB-CG1 4.32Å; D31-V37 HydrophobicContact CB-CG2 4.25Å
32E89.6Confident92.7Very high206 Ų20674.3 Ų74.396%0.96339%0.392SS*.THydrogen-bonded Turntrans-59.3-23.5-179.3-62.5177-17900113.1
33C89.2Confident92.5Very high83 Ų8369.5 Ų69.556%0.56137%0.369SS*.THydrogen-bonded Turntrans-93.24.6177.2-58.70000112.7D31 R35D31-C33 PolarHBondContact O-N 3.46Å; D31-C33 VanDerWaalsContact O-N 3.13Å; D31-C33 WeakPolarHBondContact OD1-CA 3.47Å; D31-C33 PolarHBondContact OD1-N 3.27Å; C33-R35 VanDerWaalsContact C-N 3.25Å; C33-R35 HydrophobicContact CB-CG 4.26Å; C33-R35 PolarHBondContact O-N 2.68Å
34G87.5Confident92.4Very high49 Ų4968.9 Ų68.951%0.50537%0.373SS..SBendtrans74.111.1-177.800000114.3D31D31-G34 PolarHBondContact O-N 3.08Å; D31-G34 PolarHBondContact OD1-N 3.37Å; D31-G34 VanDerWaalsContact OD1-N 3.11Å
35R89.9Confident92.3Very high95 Ų9569.7 Ų69.736%0.35838%0.376SS..  trans-76.6140.9175.3-55.9-179.7-59.6-163.1-15.6109.6K30 D31 C33 V37 D543K30-R35 WeakPolarHBondContact CA-O 3.43Å; D31-R35 PolarHBondContact N-O 3.22Å; D31-R35 WeakPolarHBondContact OD1-CA 3.49Å; D31-R35 WeakPolarHBondContact OD1-CB 3.01Å; D31-R35 PolarHBondContact OD1-N 3.42Å; D31-R35 IonicContact OD1-NE 2.87Å; D31-R35 IonicContact OD2-CZ 2.66Å; D31-R35 IonicContact OD2-NE 3.89Å; D31-R35 PolarHBondContact OD2-NE 2.97Å; D31-R35 IonicContact OD2-NH2 3.71Å; D31-R35 PolarHBondContact OD2-NH2 2.86Å; C33-R35 VanDerWaalsContact C-N 3.25Å; C33-R35 HydrophobicContact CB-CG 4.26Å; C33-R35 PolarHBondContact O-N 2.68Å; R35-V37 PolarHBondContact O-N 3.24Å; R35-D543 VanDerWaalsContact CD-OD1 3.24Å; R35-D543 WeakPolarHBondContact CD-OD1 3.23Å; R35-D543 IonicContact CZ-OD1 3.66Å; R35-D543 IonicContact CZ-OD2 2.65Å; R35-D543 IonicContact NE-OD1 2.69Å; R35-D543 PolarHBondContact NE-OD1 3.06Å; R35-D543 VanDerWaalsContact NH1-CA 3.3Å; R35-D543 IonicContact NH1-OD1 3.27Å; R35-D543 PolarHBondContact NH1-OD1 3.49Å; R35-D543 IonicContact NH1-OD2 3.23Å; R35-D543 PolarHBondContact NH1-OD2 3.06Å; R35-D543 VanDerWaalsContact NH1-OD2 3.16Å; R35-D543 VanDerWaalsContact NH2-CG 3.32Å; R35-D543 IonicContact NH2-OD1 2.7Å; R35-D543 PolarHBondContact NH2-OD1 2.92Å; R35-D543 IonicContact NH2-OD2 3.29Å; R35-D543 PolarHBondContact NH2-OD2 3.46Å
36V92.9Very high92.1Very high24 Ų2466.1 Ų66.115%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-77.9117.3175.8-175.50000109.2F14 K15 A18 A28 I29F14-V36 HydrophobicContact CB-CB 4.12Å; F14-V36 HydrophobicContact CB-CG1 3.94Å; K15-V36 HydrophobicContact CB-CG2 4.1Å; K15-V36 HydrophobicContact CG-CG2 4.33Å; A18-V36 HydrophobicContact CB-CG1 4.31Å; A28-V36 HydrophobicContact CB-CG1 3.61Å; I29-V36 CarbonylContact O-C 3.6Å; I29-V36 WeakPolarHBondContact O-CA 3.45Å
37V93.7Very high92.1Very high49 Ų4963.2 Ų63.230%0.29733%0.332SS..EExtended strand (participates in β ladder)trans-124.9160.3-179.3-600000110.8I29 D31 R35I29-V37 HydrophobicContact CB-CG2 3.99Å; I29-V37 HydrophobicContact CG2-CG2 4.2Å; I29-V37 PolarHBondContact N-O 3.11Å; I29-V37 WeakPolarHBondContact O-CG2 3.35Å; I29-V37 PolarHBondContact O-N 3.21Å; D31-V37 HydrophobicContact CB-CG1 4.32Å; D31-V37 HydrophobicContact CB-CG2 4.25Å; R35-V37 PolarHBondContact O-N 3.24Å
38L92.6Very high92.2Very high16 Ų1662.1 Ų62.18%0.08433%0.326CS..  trans-124.2143.4176.2-67.2176.5000110F14 F24 V27 F40 H45 L49F14-L38 HydrophobicContact CD2-CG 4.38Å; F14-L38 HydrophobicContact CE2-CD1 4.28Å; F14-L38 HydrophobicContact CE2-CG 4.36Å; F14-L38 HydrophobicContact CZ-CD1 4.32Å; F24-L38 HydrophobicContact CE2-CD1 3.82Å; F24-L38 HydrophobicContact CE2-CD2 4.49Å; F24-L38 HydrophobicContact CZ-CD1 3.78Å; F24-L38 HydrophobicContact CZ-CD2 4.22Å; F24-L38 HydrophobicContact CZ-CG 4.23Å; V27-L38 HydrophobicContact CG2-CD2 4.22Å; L38-F40 HydrophobicContact CB-CE2 4.44Å; L38-F40 HydrophobicContact CB-CZ 4.27Å; L38-F40 HydrophobicContact CD1-CE1 4.48Å; L38-F40 PolarHBondContact O-N 3.47Å; L38-H45 HydrophobicContact CB-CB 4.35Å; L38-H45 HydrophobicContact CD2-CB 4.21Å; L38-L49 HydrophobicContact CD1-CB 3.79Å; L38-L49 HydrophobicContact CD1-CD1 4.29Å; L38-L49 HydrophobicContact CD1-CD2 4.05Å; L38-L49 HydrophobicContact CD1-CG 4.25Å
39D91.4Very high92.3Very high34 Ų3461.7 Ų61.718%0.18232%0.32CS..  trans-89.399.3167-168.6-12.6000110.2I29 R41 I42 H45I29-D39 HydrophobicContact CD1-CB 4.27Å; D39-R41 PolarHBondContact O-N 2.91Å; D39-R41 VanDerWaalsContact OD1-CB 3.23Å; D39-R41 WeakPolarHBondContact OD1-CB 3.45Å; D39-R41 WeakPolarHBondContact OD1-CG 3.48Å; D39-R41 IonicContact OD1-CZ 2.67Å; D39-R41 PolarHBondContact OD1-N 3.2Å; D39-R41 IonicContact OD1-NE 3.1Å; D39-R41 PolarHBondContact OD1-NE 2.91Å; D39-R41 IonicContact OD1-NH2 3.17Å; D39-R41 IonicContact OD2-CZ 2.65Å; D39-R41 IonicContact OD2-NE 3.93Å; D39-R41 PolarHBondContact OD2-NE 2.93Å; D39-R41 IonicContact OD2-NH2 3.87Å; D39-R41 PolarHBondContact OD2-NH2 3.17Å; D39-I42 HydrophobicContact CB-CD1 3.99Å; D39-I42 HydrophobicContact CB-CG1 4.11Å; D39-I42 PolarHBondContact O-N 2.88Å; D39-H45 PolarHBondContact N-ND1 2.93Å; D39-H45 WeakPolarHBondContact O-CB 3.38Å
40F90.6Very high92.5Very high72 Ų7258.1 Ų58.132%0.31630%0.302SS..THydrogen-bonded Turntrans-66.4-2.8179.5-63.2-77.5000114.5F14 L38 I42 L46 L49 T205 V206F14-F40 HydrophobicContact CE2-CZ 4.17Å; F14-F40 AromaticContact CZ-CZ 3.99Å; F14-F40 HydrophobicContact CZ-CZ 3.99Å; L38-F40 HydrophobicContact CB-CE2 4.44Å; L38-F40 HydrophobicContact CB-CZ 4.27Å; L38-F40 HydrophobicContact CD1-CE1 4.48Å; L38-F40 PolarHBondContact O-N 3.47Å; F40-I42 VanDerWaalsContact C-N 3.34Å; F40-L46 HydrophobicContact CD1-CD1 4.47Å; F40-L49 HydrophobicContact CE1-CD2 3.67Å; F40-L49 HydrophobicContact CZ-CD2 4.31Å; F40-T205 HydrophobicContact CB-CG2 4.2Å; F40-T205 WeakPolarHBondContact O-CA 3.26Å; F40-V206 PolarHBondContact O-N 3.2Å
41R88.4Confident92.8Very high159 Ų15952.5 Ų52.560%0.628%0.278SS*.THydrogen-bonded Turntrans-85.9-8.7171.2-55.6170.8-65174.24.1112.5D39 V206D39-R41 PolarHBondContact O-N 2.91Å; D39-R41 VanDerWaalsContact OD1-CB 3.23Å; D39-R41 WeakPolarHBondContact OD1-CB 3.45Å; D39-R41 WeakPolarHBondContact OD1-CG 3.48Å; D39-R41 IonicContact OD1-CZ 2.67Å; D39-R41 PolarHBondContact OD1-N 3.2Å; D39-R41 IonicContact OD1-NE 3.1Å; D39-R41 PolarHBondContact OD1-NE 2.91Å; D39-R41 IonicContact OD1-NH2 3.17Å; D39-R41 IonicContact OD2-CZ 2.65Å; D39-R41 IonicContact OD2-NE 3.93Å; D39-R41 PolarHBondContact OD2-NE 2.93Å; D39-R41 IonicContact OD2-NH2 3.87Å; D39-R41 PolarHBondContact OD2-NH2 3.17Å; R41-V206 VanDerWaalsContact C-CG1 3.43Å; R41-V206 VanDerWaalsContact O-CB 3.26Å; R41-V206 WeakPolarHBondContact O-CB 3.23Å; R41-V206 WeakPolarHBondContact O-CG1 3.23Å
42I91Very high93.1Very high65 Ų6550.6 Ų50.633%0.33327%0.267SS..SBendtrans-103.8120.6177.8-54.9178.7000108.5D39 F40 S44 H45 L46D39-I42 HydrophobicContact CB-CD1 3.99Å; D39-I42 HydrophobicContact CB-CG1 4.11Å; D39-I42 PolarHBondContact O-N 2.88Å; F40-I42 VanDerWaalsContact C-N 3.34Å; I42-S44 VanDerWaalsContact C-N 3.27Å; I42-S44 VanDerWaalsContact CG2-OG 3.25Å; I42-S44 WeakPolarHBondContact CG2-OG 3.48Å; I42-S44 PolarHBondContact O-N 3.37Å; I42-H45 VanDerWaalsContact CB-CD2 3.46Å; I42-H45 WeakPolarHBondContact CB-CD2 3.43Å; I42-H45 VanDerWaalsContact CG2-CD2 3.47Å; I42-H45 WeakPolarHBondContact CG2-CD2 3.45Å; I42-H45 PolarHBondContact O-N 3.24Å; I42-H45 VanDerWaalsContact O-N 3.12Å; I42-L46 PolarHBondContact O-N 3.16Å
43P92Very high93.5Very high39 Ų3941.1 Ų41.125%0.25322%0.223SC..Hα-helixtrans-57-37.7-176.6-26.635.5000113.7H45 L46 S47 I70 V206P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 2.94Å; P43-L46 PolarHBondContact O-N 3.04Å; P43-L46 VanDerWaalsContact O-N 3.16Å; P43-S47 PolarHBondContact O-N 3.48Å; P43-S47 PolarHBondContact O-OG 2.8Å; P43-I70 HydrophobicContact CB-CD1 3.9Å; P43-I70 WeakPolarHBondContact O-CD1 3.44Å; P43-V206 HydrophobicContact CG-CG1 3.76Å
44S94.3Very high94Very high54 Ų5437.2 Ų37.238%0.37820%0.197SC..Hα-helixtrans-63.2-32.2179.655.20000113.4I42 S47 A48I42-S44 VanDerWaalsContact C-N 3.27Å; I42-S44 VanDerWaalsContact CG2-OG 3.25Å; I42-S44 WeakPolarHBondContact CG2-OG 3.48Å; I42-S44 PolarHBondContact O-N 3.37Å; S44-S47 WeakPolarHBondContact CA-OG 3.4Å; S44-S47 PolarHBondContact O-OG 3.28Å; S44-A48 VanDerWaalsContact O-CB 3.27Å; S44-A48 WeakPolarHBondContact O-CB 3.48Å; S44-A48 PolarHBondContact O-N 2.93Å
45H95.6Very high94.5Very high16 Ų1637.6 Ų37.67%0.07419%0.186CC..Hα-helixtrans-70.6-39.2176.2-67.6-126.5000110.5V27 L38 D39 I42 P43 L49V27-H45 PolarHBondContact O-CE1 3.06Å; V27-H45 PolarHBondContact O-ND1 2.94Å; L38-H45 HydrophobicContact CB-CB 4.35Å; L38-H45 HydrophobicContact CD2-CB 4.21Å; D39-H45 PolarHBondContact N-ND1 2.93Å; D39-H45 WeakPolarHBondContact O-CB 3.38Å; I42-H45 VanDerWaalsContact CB-CD2 3.46Å; I42-H45 WeakPolarHBondContact CB-CD2 3.43Å; I42-H45 VanDerWaalsContact CG2-CD2 3.47Å; I42-H45 WeakPolarHBondContact CG2-CD2 3.45Å; I42-H45 PolarHBondContact O-N 3.24Å; I42-H45 VanDerWaalsContact O-N 3.12Å; P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 2.94Å; H45-L49 WeakPolarHBondContact O-CB 3.44Å; H45-L49 PolarHBondContact O-N 2.91Å
46L94Very high94.9Very high15 Ų1536.1 Ų36.18%0.07919%0.185CC..Hα-helixtrans-70.6-39177.3-176.861.2000112.1F40 I42 P43 S50 I70 T72F40-L46 HydrophobicContact CD1-CD1 4.47Å; I42-L46 PolarHBondContact O-N 3.16Å; P43-L46 PolarHBondContact O-N 3.04Å; P43-L46 VanDerWaalsContact O-N 3.16Å; L46-S50 WeakPolarHBondContact O-CB 3.34Å; L46-S50 PolarHBondContact O-N 3.16Å; L46-S50 PolarHBondContact O-OG 3.34Å; L46-I70 HydrophobicContact CB-CG2 4.44Å; L46-I70 HydrophobicContact CD2-CB 4.14Å; L46-I70 HydrophobicContact CD2-CG2 4.16Å; L46-I70 HydrophobicContact CG-CB 4.31Å; L46-I70 HydrophobicContact CG-CG2 3.8Å; L46-T72 HydrophobicContact CD1-CG2 4.11Å
47S95.9Very high95Very high23 Ų2337.9 Ų37.916%0.16119%0.194CC..Hα-helixtrans-66.2-45.4175.958.90000111.4P43 S44 L49 S50 K51P43-S47 PolarHBondContact O-N 3.48Å; P43-S47 PolarHBondContact O-OG 2.8Å; S44-S47 WeakPolarHBondContact CA-OG 3.4Å; S44-S47 PolarHBondContact O-OG 3.28Å; S47-L49 VanDerWaalsContact C-N 3.35Å; S47-L49 PolarHBondContact O-N 3.44Å; S47-S50 PolarHBondContact O-N 2.87Å; S47-K51 VanDerWaalsContact O-CB 3.29Å; S47-K51 WeakPolarHBondContact O-CB 3.39Å; S47-K51 PolarHBondContact O-N 3.36Å
48A97.2Very high95.2Very high7 Ų736.7 Ų36.76%0.05819%0.185CC..Hα-helixtrans-58.9-45.9175.600000111.3F23 F24 V27 S44 K51 A52F23-A48 HydrophobicContact CD2-CB 4.18Å; F23-A48 WeakPolarHBondContact CE2-O 3.32Å; F24-A48 HydrophobicContact CD2-CB 4.31Å; V27-A48 HydrophobicContact CG2-CB 3.47Å; V27-A48 VanDerWaalsContact CG2-CB 3.47Å; S44-A48 VanDerWaalsContact O-CB 3.27Å; S44-A48 WeakPolarHBondContact O-CB 3.48Å; S44-A48 PolarHBondContact O-N 2.93Å; A48-K51 PolarHBondContact O-N 3.48Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.4Å; A48-A52 PolarHBondContact O-N 3.35Å
49L97Very high95.5Very high16 Ų1638.2 Ų38.28%0.08420%0.204CC..Hα-helixtrans-61-47.9175.4178.763.3000112.2F14 L17 F24 L38 F40 H45 S47 K51 A52 L53F14-L49 HydrophobicContact CD1-CD1 4.12Å; F14-L49 HydrophobicContact CE1-CD1 3.59Å; F14-L49 HydrophobicContact CE1-CD2 4.23Å; F14-L49 HydrophobicContact CZ-CD1 4.37Å; F14-L49 HydrophobicContact CZ-CD2 4.25Å; L17-L49 HydrophobicContact CD1-CD1 3.97Å; F24-L49 HydrophobicContact CE2-CB 3.96Å; F24-L49 HydrophobicContact CE2-CD1 3.69Å; F24-L49 HydrophobicContact CE2-CG 4.44Å; F24-L49 HydrophobicContact CZ-CD1 4.23Å; L38-L49 HydrophobicContact CD1-CB 3.79Å; L38-L49 HydrophobicContact CD1-CD1 4.29Å; L38-L49 HydrophobicContact CD1-CD2 4.05Å; L38-L49 HydrophobicContact CD1-CG 4.25Å; F40-L49 HydrophobicContact CE1-CD2 3.67Å; F40-L49 HydrophobicContact CZ-CD2 4.31Å; H45-L49 WeakPolarHBondContact O-CB 3.44Å; H45-L49 PolarHBondContact O-N 2.91Å; S47-L49 VanDerWaalsContact C-N 3.35Å; S47-L49 PolarHBondContact O-N 3.44Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.33Å; L49-A52 PolarHBondContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CD1 4.09Å; L49-L53 HydrophobicContact CD1-CD2 4.38Å; L49-L53 HydrophobicContact CD1-CG 3.99Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 HydrophobicContact CG-CG 4.35Å; L49-L53 WeakPolarHBondContact O-CB 3.32Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.17Å; L49-L53 PolarHBondContact O-N 3.36Å
50S97.1Very high95.8Very high2 Ų236.6 Ų36.61%0.01420%0.195CC..Hα-helixtrans-62.7-41.4-178.2-56.40000111.3L46 S47 L54 P71L46-S50 WeakPolarHBondContact O-CB 3.34Å; L46-S50 PolarHBondContact O-N 3.16Å; L46-S50 PolarHBondContact O-OG 3.34Å; S47-S50 PolarHBondContact O-N 2.87Å; S50-L54 WeakPolarHBondContact O-CB 3.34Å; S50-L54 VanDerWaalsContact O-CG 3.28Å; S50-L54 WeakPolarHBondContact O-CG 3.46Å; S50-L54 PolarHBondContact O-N 3.13Å; S50-P71 PolarHBondContact OG-O 2.85Å
51K98.2Very high96.2Very high39 Ų3935.4 Ų35.417%0.1719%0.192CC..Hα-helixtrans-63.5-48.8174.8-174.4169.5-176.5163.20111.9F23 S47 A48 L49 L53 L54 M55 D61 V62 D63 F64F23-K51 HydrophobicContact CD2-CD 4.47Å; F23-K51 HydrophobicContact CE1-CD 4.37Å; F23-K51 HydrophobicContact CE1-CG 4.46Å; F23-K51 HydrophobicContact CE2-CB 3.95Å; F23-K51 HydrophobicContact CE2-CD 4.1Å; F23-K51 HydrophobicContact CE2-CG 3.93Å; F23-K51 HydrophobicContact CZ-CB 4.22Å; F23-K51 HydrophobicContact CZ-CD 4.05Å; F23-K51 HydrophobicContact CZ-CG 3.76Å; S47-K51 VanDerWaalsContact O-CB 3.29Å; S47-K51 WeakPolarHBondContact O-CB 3.39Å; S47-K51 PolarHBondContact O-N 3.36Å; A48-K51 PolarHBondContact O-N 3.48Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.33Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 2.83Å; K51-L54 PolarHBondContact O-N 2.9Å; K51-M55 HydrophobicContact CG-CG 4.39Å; K51-M55 HydrophobicContact CG-SD 3.97Å; K51-M55 WeakPolarHBondContact O-CB 3.35Å; K51-M55 WeakPolarHBondContact O-CG 3.33Å; K51-M55 PolarHBondContact O-N 3.29Å; K51-D61 WeakPolarHBondContact CE-OD1 3.28Å; K51-D61 IonicContact NZ-OD1 2.85Å; K51-D61 PolarHBondContact NZ-OD1 3.37Å; K51-V62 WeakPolarHBondContact CD-O 3.03Å; K51-D63 IonicContact NZ-OD1 3.23Å; K51-D63 PolarHBondContact NZ-OD1 3Å; K51-F64 HydrophobicContact CB-CD2 4.26Å; K51-F64 HydrophobicContact CB-CE2 3.99Å
52A98.1Very high96.7Very high0 Ų027.9 Ų27.90%016%0.164CC..Hα-helixtrans-60-41.9178.800000112L17 F21 F23 F24 A48 L49 N56L17-A52 HydrophobicContact CD1-CB 4.33Å; L17-A52 HydrophobicContact CD2-CB 4.27Å; F21-A52 HydrophobicContact CD2-CB 3.86Å; F21-A52 HydrophobicContact CE2-CB 4.2Å; F23-A52 HydrophobicContact CE2-CB 4.05Å; F23-A52 HydrophobicContact CZ-CB 4.2Å; F24-A52 HydrophobicContact CB-CB 4.39Å; F24-A52 HydrophobicContact CD2-CB 3.72Å; F24-A52 HydrophobicContact CE2-CB 4.41Å; F24-A52 HydrophobicContact CG-CB 4.3Å; A48-A52 VanDerWaalsContact O-CB 3.26Å; A48-A52 WeakPolarHBondContact O-CB 3.4Å; A48-A52 PolarHBondContact O-N 3.35Å; L49-A52 PolarHBondContact O-N 3.16Å; A52-N56 WeakPolarHBondContact O-CB 3.47Å; A52-N56 PolarHBondContact O-N 3.01Å
53L98.1Very high96.9Very high7 Ų728.2 Ų28.24%0.03717%0.167CC..Hα-helixtrans-64.3-44.5175.8-69.9-178000112.4Y7 P12 L17 L49 K51 N56 D57 V73Y7-L53 HydrophobicContact CE1-CD1 4.46Å; Y7-L53 HydrophobicContact CE1-CD2 3.93Å; P12-L53 HydrophobicContact CB-CD2 3.8Å; P12-L53 HydrophobicContact CG-CD1 4.36Å; P12-L53 HydrophobicContact CG-CD2 3.7Å; L17-L53 HydrophobicContact CD1-CD2 4.08Å; L49-L53 HydrophobicContact CD1-CD1 4.09Å; L49-L53 HydrophobicContact CD1-CD2 4.38Å; L49-L53 HydrophobicContact CD1-CG 3.99Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 HydrophobicContact CG-CG 4.35Å; L49-L53 WeakPolarHBondContact O-CB 3.32Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.17Å; L49-L53 PolarHBondContact O-N 3.36Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 2.83Å; L53-N56 PolarHBondContact O-N 3.36Å; L53-D57 WeakPolarHBondContact O-CB 3.45Å; L53-D57 PolarHBondContact O-N 3.44Å; L53-V73 HydrophobicContact CB-CG2 4.17Å; L53-V73 HydrophobicContact CD1-CB 4.33Å; L53-V73 HydrophobicContact CD1-CG2 4.46Å
54L98.5Very high97.1Very high0 Ų027.6 Ų27.60%016%0.16CC..Hα-helixtrans-64.7-43.4178.3-74.5168.9000112.3S50 K51 F58 G59 L60 V62 F64 V73 I109 L113S50-L54 WeakPolarHBondContact O-CB 3.34Å; S50-L54 VanDerWaalsContact O-CG 3.28Å; S50-L54 WeakPolarHBondContact O-CG 3.46Å; S50-L54 PolarHBondContact O-N 3.13Å; K51-L54 PolarHBondContact O-N 2.9Å; L54-F58 HydrophobicContact CD2-CD2 4.22Å; L54-F58 CarbonylContact O-C 3.52Å; L54-F58 WeakPolarHBondContact O-CA 3.37Å; L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 3.5Å; L54-F58 VanDerWaalsContact O-N 3.08Å; L54-G59 PolarHBondContact O-N 2.87Å; L54-L60 CarbonylContact C-O 3.52Å; L54-L60 VanDerWaalsContact C-O 3.25Å; L54-L60 HydrophobicContact CB-CB 4.09Å; L54-L60 WeakPolarHBondContact CB-O 3.45Å; L54-L60 HydrophobicContact CD2-CD1 4.13Å; L54-L60 PolarHBondContact O-N 3.21Å; L54-V62 HydrophobicContact CD1-CB 4.02Å; L54-V62 HydrophobicContact CD1-CG2 3.88Å; L54-F64 HydrophobicContact CD1-CE2 4.2Å; L54-F64 HydrophobicContact CD1-CZ 3.62Å; L54-V73 HydrophobicContact CD1-CG2 4.34Å; L54-V73 HydrophobicContact CD2-CG1 4.23Å; L54-V73 HydrophobicContact CD2-CG2 4.21Å; L54-V73 HydrophobicContact CG-CG2 3.88Å; L54-I109 HydrophobicContact CD1-CD1 3.71Å; L54-I109 HydrophobicContact CD2-CD1 3.77Å; L54-I109 HydrophobicContact CG-CD1 4.35Å; L54-L113 HydrophobicContact CD2-CD2 3.68Å; L54-L113 HydrophobicContact CD2-CG 4.28Å
55M98.1Very high97Very high58 Ų5826.4 Ų26.429%0.28615%0.151SC..Hα-helixtrans-66.2-44.7176.8-69.7-177.678.300111.2F21 F23 K51 G59 L60 D61F21-M55 HydrophobicContact CD1-SD 4.47Å; F21-M55 HydrophobicContact CE1-CB 3.94Å; F21-M55 HydrophobicContact CE1-CE 4.13Å; F21-M55 HydrophobicContact CE1-SD 4.22Å; F21-M55 HydrophobicContact CZ-CB 3.85Å; F23-M55 HydrophobicContact CE1-SD 3.79Å; F23-M55 HydrophobicContact CZ-SD 3.86Å; K51-M55 HydrophobicContact CG-CG 4.39Å; K51-M55 HydrophobicContact CG-SD 3.97Å; K51-M55 WeakPolarHBondContact O-CB 3.35Å; K51-M55 WeakPolarHBondContact O-CG 3.33Å; K51-M55 PolarHBondContact O-N 3.29Å; M55-G59 WeakPolarHBondContact O-CA 3.44Å; M55-G59 PolarHBondContact O-N 2.67Å; M55-L60 WeakPolarHBondContact CA-O 3.45Å; M55-L60 VanDerWaalsContact CG-O 3.22Å; M55-L60 WeakPolarHBondContact CG-O 3.31Å; M55-L60 PolarHBondContact N-O 2.9Å; M55-L60 VanDerWaalsContact N-O 3.11Å; M55-D61 HydrophobicContact CE-CB 4.5Å; M55-D61 HydrophobicContact CG-CB 4.42Å
56N97.4Very high96.7Very high64 Ų6428.5 Ų28.534%0.34218%0.177SC..Hα-helixtrans-70.7-47-175.7-168.971000113.3L17 K20 F21 A52 L53L17-N56 HydrophobicContact CD2-CB 4.24Å; K20-N56 PolarHBondContact NZ-OD1 2.88Å; F21-N56 HydrophobicContact CE2-CB 4.05Å; F21-N56 HydrophobicContact CZ-CB 4.19Å; A52-N56 WeakPolarHBondContact O-CB 3.47Å; A52-N56 PolarHBondContact O-N 3.01Å; L53-N56 PolarHBondContact O-N 3.36Å
57D97Very high96.6Very high61 Ų6130.7 Ų30.733%0.32619%0.188SC..Hα-helixtrans-99.2-21.9-167-57.6-30.9000112.7I6 Y7 L53I6-D57 HydrophobicContact CD1-CB 3.79Å; Y7-D57 WeakPolarHBondContact CE1-OD2 3.29Å; Y7-D57 VanDerWaalsContact CZ-OD2 3.23Å; Y7-D57 PolarHBondContact OH-OD2 3.07Å; L53-D57 WeakPolarHBondContact O-CB 3.45Å; L53-D57 PolarHBondContact O-N 3.44Å
58F97.7Very high96.5Very high24 Ų2430.9 Ų30.911%0.10519%0.186CC..Hα-helixtrans-125.4-8.3-176.4-57.5-82.8000113.4I6 L54 L60 V73 L77 L113 K116I6-F58 HydrophobicContact CD1-CE2 4.14Å; I6-F58 HydrophobicContact CD1-CZ 3.85Å; L54-F58 HydrophobicContact CD2-CD2 4.22Å; L54-F58 CarbonylContact O-C 3.52Å; L54-F58 WeakPolarHBondContact O-CA 3.37Å; L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 3.5Å; L54-F58 VanDerWaalsContact O-N 3.08Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 HydrophobicContact CB-CB 4.5Å; F58-L60 HydrophobicContact CB-CD1 3.89Å; F58-L60 HydrophobicContact CB-CG 4.1Å; F58-L60 PolarHBondContact O-N 2.94Å; F58-V73 HydrophobicContact CE2-CG1 4.08Å; F58-L77 HydrophobicContact CE1-CD1 4.38Å; F58-L77 HydrophobicContact CZ-CD1 4.21Å; F58-L77 HydrophobicContact CZ-CD2 3.98Å; F58-L113 HydrophobicContact CB-CD2 4.49Å; F58-L113 HydrophobicContact CD1-CD2 3.89Å; F58-L113 HydrophobicContact CD2-CD2 3.91Å; F58-L113 HydrophobicContact CE1-CD2 4.08Å; F58-L113 HydrophobicContact CE2-CD2 4.1Å; F58-L113 HydrophobicContact CG-CD2 3.81Å; F58-L113 HydrophobicContact CZ-CD2 4.19Å; F58-K116 WeakPolarHBondContact O-CE 3.41Å; F58-K116 WeakPolarHBondContact O-CG 3.21Å
59G97.9Very high96.3Very high47 Ų4732.8 Ų32.849%0.48520%0.195SC..  trans6136.8-174.900000112.6L54 M55L54-G59 PolarHBondContact O-N 2.87Å; M55-G59 WeakPolarHBondContact O-CA 3.44Å; M55-G59 PolarHBondContact O-N 2.67Å
60L98.5Very high96.2Very high1 Ų132.4 Ų32.41%0.00519%0.193CC..  trans-110.3121178.1-72.1169.8000110L54 M55 F58 V62 L112 L113 K116 N142 L144L54-L60 CarbonylContact C-O 3.52Å; L54-L60 VanDerWaalsContact C-O 3.25Å; L54-L60 HydrophobicContact CB-CB 4.09Å; L54-L60 WeakPolarHBondContact CB-O 3.45Å; L54-L60 HydrophobicContact CD2-CD1 4.13Å; L54-L60 PolarHBondContact O-N 3.21Å; M55-L60 WeakPolarHBondContact CA-O 3.45Å; M55-L60 VanDerWaalsContact CG-O 3.22Å; M55-L60 WeakPolarHBondContact CG-O 3.31Å; M55-L60 PolarHBondContact N-O 2.9Å; M55-L60 VanDerWaalsContact N-O 3.11Å; F58-L60 VanDerWaalsContact C-N 3.26Å; F58-L60 HydrophobicContact CB-CB 4.5Å; F58-L60 HydrophobicContact CB-CD1 3.89Å; F58-L60 HydrophobicContact CB-CG 4.1Å; F58-L60 PolarHBondContact O-N 2.94Å; L60-V62 HydrophobicContact CB-CG2 4.18Å; L60-L112 HydrophobicContact CD1-CB 4.06Å; L60-L112 HydrophobicContact CD2-CB 4.29Å; L60-L112 HydrophobicContact CD2-CD2 4.5Å; L60-L113 HydrophobicContact CD1-CD2 4.16Å; L60-K116 HydrophobicContact CD1-CB 4.13Å; L60-K116 HydrophobicContact CD1-CG 4.37Å; L60-K116 HydrophobicContact CD2-CB 4.1Å; L60-K116 HydrophobicContact CD2-CG 4.17Å; L60-K116 HydrophobicContact CG-CB 4.26Å; L60-K116 HydrophobicContact CG-CG 4.09Å; L60-N142 VanDerWaalsContact CA-OD1 3.31Å; L60-N142 WeakPolarHBondContact CA-OD1 3.43Å; L60-N142 HydrophobicContact CD2-CB 4.08Å; L60-L144 HydrophobicContact CD2-CD1 4.06Å
61D98.2Very high96.1Very high47 Ų4732.5 Ų32.525%0.25119%0.193SC..  trans-97.7103.8173.4-176.7-3.1000109K51 M55 K141 N142K51-D61 WeakPolarHBondContact CE-OD1 3.28Å; K51-D61 IonicContact NZ-OD1 2.85Å; K51-D61 PolarHBondContact NZ-OD1 3.37Å; M55-D61 HydrophobicContact CE-CB 4.5Å; M55-D61 HydrophobicContact CG-CB 4.42Å; D61-K141 HydrophobicContact CB-CD 4.49Å; D61-K141 IonicContact OD1-NZ 2.79Å; D61-K141 PolarHBondContact OD1-NZ 3.43Å; D61-K141 WeakPolarHBondContact OD2-CE 3.47Å; D61-K141 IonicContact OD2-NZ 2.83Å; D61-K141 PolarHBondContact OD2-NZ 3.32Å; D61-N142 PolarHBondContact N-OD1 3.32Å; D61-N142 PolarHBondContact O-ND2 3.26Å
62V98.2Very high95.9Very high0 Ų032.5 Ų32.50%020%0.197CC..  trans-121.5130.8-174.1-174.50000109.5K51 L54 L60 F64 L112 N138K51-V62 WeakPolarHBondContact CD-O 3.03Å; L54-V62 HydrophobicContact CD1-CB 4.02Å; L54-V62 HydrophobicContact CD1-CG2 3.88Å; L60-V62 HydrophobicContact CB-CG2 4.18Å; V62-F64 HydrophobicContact CB-CE2 4.1Å; V62-F64 HydrophobicContact CB-CZ 3.91Å; V62-F64 HydrophobicContact CG1-CD1 4.44Å; V62-F64 HydrophobicContact CG1-CE1 3.81Å; V62-F64 HydrophobicContact CG1-CE2 4.14Å; V62-F64 HydrophobicContact CG1-CZ 3.64Å; V62-F64 WeakPolarHBondContact O-CE2 3.41Å; V62-L112 HydrophobicContact CG1-CD1 4.35Å; V62-L112 HydrophobicContact CG2-CD1 3.63Å; V62-N138 HydrophobicContact CG1-CB 4.44Å
63D96.3Very high95.8Very high73 Ų7332.5 Ų32.539%0.3920%0.197SC..  trans-95.5136.2175.7-64.6-42.4000110.9K51 N138 K141K51-D63 IonicContact NZ-OD1 3.23Å; K51-D63 PolarHBondContact NZ-OD1 3Å; D63-N138 PolarHBondContact N-OD1 3.2Å; D63-N138 PolarHBondContact O-ND2 3.42Å; D63-N138 VanDerWaalsContact O-ND2 3.17Å; D63-K141 VanDerWaalsContact CG-NZ 3.32Å; D63-K141 IonicContact OD1-NZ 3.85Å; D63-K141 PolarHBondContact OD1-NZ 3.14Å; D63-K141 IonicContact OD2-NZ 3.71Å; D63-K141 PolarHBondContact OD2-NZ 3.39Å
64F95.3Very high95.7Very high26 Ų2633.3 Ų33.311%0.11420%0.202CC..  trans-122.8104.2-177.6-57.7-78000109.2K51 L54 V62 I70 P71K51-F64 HydrophobicContact CB-CD2 4.26Å; K51-F64 HydrophobicContact CB-CE2 3.99Å; L54-F64 HydrophobicContact CD1-CE2 4.2Å; L54-F64 HydrophobicContact CD1-CZ 3.62Å; V62-F64 HydrophobicContact CB-CE2 4.1Å; V62-F64 HydrophobicContact CB-CZ 3.91Å; V62-F64 HydrophobicContact CG1-CD1 4.44Å; V62-F64 HydrophobicContact CG1-CE1 3.81Å; V62-F64 HydrophobicContact CG1-CE2 4.14Å; V62-F64 HydrophobicContact CG1-CZ 3.64Å; V62-F64 WeakPolarHBondContact O-CE2 3.41Å; F64-I70 HydrophobicContact CB-CG1 4.24Å; F64-I70 HydrophobicContact CD1-CG2 4.4Å; F64-I70 HydrophobicContact CG-CG2 4.39Å; F64-P71 HydrophobicContact CD1-CG 4.43Å; F64-P71 VanDerWaalsContact CE1-CD 3.48Å; F64-P71 HydrophobicContact CE1-CG 3.68Å; F64-P71 HydrophobicContact CZ-CG 4.44Å
65P92.6Very high95.6Very high29 Ų2933.6 Ų33.619%0.18820%0.204CC..  trans-70.8147.2177.934.4-39000110.4D67 R68 A106 L134P65-D67 WeakPolarHBondContact CB-OD1 3.26Å; P65-D67 PolarHBondContact O-N 3.28Å; P65-D67 VanDerWaalsContact O-N 3.12Å; P65-R68 HydrophobicContact CG-CB 3.87Å; P65-R68 HydrophobicContact CG-CG 3.74Å; P65-R68 PolarHBondContact O-N 3.4Å; P65-A106 HydrophobicContact CG-CB 4.47Å; P65-L134 HydrophobicContact CG-CD1 3.71Å
66G89.5Confident95.6Very high60 Ų6031.7 Ų31.762%0.61919%0.193SC*.THydrogen-bonded Turntrans-67.8-9.7-174.400000115.4S208G66-S208 WeakPolarHBondContact O-CB 3.37Å
67D91.6Very high95.6Very high60 Ų6028.8 Ų28.832%0.32118%0.178SC..THydrogen-bonded Turntrans-107.214.5-178.472.8-42.9000113.7P65 R130 S208P65-D67 WeakPolarHBondContact CB-OD1 3.26Å; P65-D67 PolarHBondContact O-N 3.28Å; P65-D67 VanDerWaalsContact O-N 3.12Å; D67-R130 IonicContact OD1-CZ 2.72Å; D67-R130 IonicContact OD1-NE 3.05Å; D67-R130 IonicContact OD1-NH2 2.73Å; D67-R130 PolarHBondContact OD1-NH2 2.69Å; D67-R130 IonicContact OD2-CZ 3.13Å; D67-R130 IonicContact OD2-NE 3.04Å; D67-R130 PolarHBondContact OD2-NE 2.77Å; D67-R130 IonicContact OD2-NH1 3.82Å; D67-R130 IonicContact OD2-NH2 2.74Å; D67-R130 PolarHBondContact OD2-NH2 3.32Å; D67-S208 CarbonylContact C-O 3.49Å; D67-S208 VanDerWaalsContact C-O 3.28Å
68R94Very high95.6Very high27 Ų2725.9 Ų25.910%0.10216%0.162CC..SBendtrans-131.7165.2176.9-62.5-63.2-170.4-109.614.8112.1P65 I70 A106 D128 N131 S208 E213P65-R68 HydrophobicContact CG-CB 3.87Å; P65-R68 HydrophobicContact CG-CG 3.74Å; P65-R68 PolarHBondContact O-N 3.4Å; R68-I70 PolarHBondContact O-N 3.05Å; R68-A106 HydrophobicContact CB-CB 4.04Å; R68-A106 HydrophobicContact CG-CB 4.06Å; R68-D128 IonicContact CZ-OD2 3.16Å; R68-D128 IonicContact NE-OD2 2.94Å; R68-D128 PolarHBondContact NE-OD2 3.12Å; R68-D128 IonicContact NH2-OD1 2.81Å; R68-D128 IonicContact NH2-OD2 3.27Å; R68-D128 PolarHBondContact NH2-OD2 3.44Å; R68-N131 WeakPolarHBondContact CD-OD1 3.35Å; R68-N131 PolarHBondContact NE-OD1 2.59Å; R68-S208 CarbonylContact C-O 3.53Å; R68-S208 VanDerWaalsContact C-O 3.31Å; R68-S208 WeakPolarHBondContact CA-O 3.3Å; R68-S208 PolarHBondContact N-O 2.73Å; R68-S208 CarbonylContact O-C 3.55Å; R68-S208 WeakPolarHBondContact O-CB 3.35Å; R68-S208 PolarHBondContact O-OG 3.46Å; R68-E213 WeakPolarHBondContact CA-OE2 3.47Å; R68-E213 WeakPolarHBondContact CD-OE2 3.33Å
69L93.4Very high95.7Very high48 Ų4824.8 Ų24.825%0.25116%0.157SC..  trans-63.1120.7-179.5177.765.9000111P71 A209 E213L69-P71 WeakPolarHBondContact O-CD 3.1Å; L69-A209 HydrophobicContact CB-CB 3.82Å; L69-A209 HydrophobicContact CD1-CB 3.9Å; L69-A209 HydrophobicContact CG-CB 4.39Å; L69-E213 HydrophobicContact CB-CB 4.42Å; L69-E213 PolarHBondContact N-OE2 3.24Å
70I95.2Very high95.7Very high8 Ų822.5 Ų22.54%0.04113%0.134CC..  trans-91.4114.6173.6-57.3162.3000109.1P43 L46 F64 R68 S208P43-I70 HydrophobicContact CB-CD1 3.9Å; P43-I70 WeakPolarHBondContact O-CD1 3.44Å; L46-I70 HydrophobicContact CB-CG2 4.44Å; L46-I70 HydrophobicContact CD2-CB 4.14Å; L46-I70 HydrophobicContact CD2-CG2 4.16Å; L46-I70 HydrophobicContact CG-CB 4.31Å; L46-I70 HydrophobicContact CG-CG2 3.8Å; F64-I70 HydrophobicContact CB-CG1 4.24Å; F64-I70 HydrophobicContact CD1-CG2 4.4Å; F64-I70 HydrophobicContact CG-CG2 4.39Å; R68-I70 PolarHBondContact O-N 3.05Å; I70-S208 WeakPolarHBondContact CD1-OG 3.2Å; I70-S208 WeakPolarHBondContact CG1-OG 3.44Å
71P94.1Very high95.7Very high3 Ų322.6 Ų22.62%0.01913%0.134CC..  trans-77.8132-17831.1-34.8000112.4S50 F64 L69 V73 R76 I109S50-P71 PolarHBondContact OG-O 2.85Å; F64-P71 HydrophobicContact CD1-CG 4.43Å; F64-P71 VanDerWaalsContact CE1-CD 3.48Å; F64-P71 HydrophobicContact CE1-CG 3.68Å; F64-P71 HydrophobicContact CZ-CG 4.44Å; L69-P71 WeakPolarHBondContact O-CD 3.1Å; P71-V73 PolarHBondContact O-N 3.02Å; P71-R76 HydrophobicContact CB-CG 3.86Å; P71-I109 HydrophobicContact CB-CB 4.4Å; P71-I109 HydrophobicContact CB-CG1 4.27Å; P71-I109 HydrophobicContact CB-CG2 4.09Å; P71-I109 HydrophobicContact CG-CB 4.03Å; P71-I109 HydrophobicContact CG-CD1 4.46Å; P71-I109 HydrophobicContact CG-CG1 4.02Å; P71-I109 HydrophobicContact CG-CG2 4.19Å
72T94.3Very high95.6Very high40 Ų4020.3 Ų20.325%0.24512%0.123CC..  trans-74.5111.2167.656.90000110.7L46 P74 L75 R76L46-T72 HydrophobicContact CD1-CG2 4.11Å; T72-P74 VanDerWaalsContact C-CD 3.47Å; T72-L75 PolarHBondContact O-N 2.89Å; T72-R76 PolarHBondContact O-N 3.42Å
73V96.3Very high95.6Very high0 Ų020.3 Ų20.30%012%0.123CC..Hα-helixtrans-49.2-45.6-175.8-174.20000113.9Y7 L53 L54 F58 P71 L75 R76 L77Y7-V73 HydrophobicContact CE2-CG1 4.05Å; L53-V73 HydrophobicContact CB-CG2 4.17Å; L53-V73 HydrophobicContact CD1-CB 4.33Å; L53-V73 HydrophobicContact CD1-CG2 4.46Å; L54-V73 HydrophobicContact CD1-CG2 4.34Å; L54-V73 HydrophobicContact CD2-CG1 4.23Å; L54-V73 HydrophobicContact CD2-CG2 4.21Å; L54-V73 HydrophobicContact CG-CG2 3.88Å; F58-V73 HydrophobicContact CE2-CG1 4.08Å; P71-V73 PolarHBondContact O-N 3.02Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.4Å; V73-R76 PolarHBondContact O-N 2.85Å; V73-R76 VanDerWaalsContact O-N 3.1Å; V73-L77 WeakPolarHBondContact O-CB 3.49Å; V73-L77 PolarHBondContact O-N 2.94Å
74P96.6Very high95.7Very high24 Ų2417.4 Ų17.416%0.15611%0.107CC..Hα-helixtrans-61.1-36.3-176.7-25.134.7000114.7M1 N5 Y7 T72 N78M1-P74 HydrophobicContact CE-CB 4.19Å; M1-P74 HydrophobicContact SD-CB 4.46Å; N5-P74 PolarHBondContact ND2-O 3.36Å; Y7-P74 HydrophobicContact CD2-CB 3.8Å; Y7-P74 HydrophobicContact CD2-CG 3.65Å; Y7-P74 HydrophobicContact CE2-CG 4.08Å; Y7-P74 HydrophobicContact CG-CB 4.37Å; Y7-P74 HydrophobicContact CG-CG 4.07Å; T72-P74 VanDerWaalsContact C-CD 3.47Å; P74-N78 PolarHBondContact O-N 3Å; P74-N78 VanDerWaalsContact O-N 3.15Å; P74-N78 PolarHBondContact O-ND2 2.75Å
75L96.2Very high95.7Very high5 Ų517.6 Ų17.63%0.02611%0.109CC..Hα-helixtrans-70.8-41.2175.9171.955.9000111T72 V73 L77 N78 Y79 M244 M271 Q273 R278T72-L75 PolarHBondContact O-N 2.89Å; V73-L75 VanDerWaalsContact C-N 3.34Å; V73-L75 PolarHBondContact O-N 3.4Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 2.89Å; L75-N78 WeakPolarHBondContact O-CB 3.24Å; L75-N78 PolarHBondContact O-N 2.93Å; L75-Y79 PolarHBondContact O-N 2.82Å; L75-M244 HydrophobicContact CD1-CE 3.91Å; L75-M244 HydrophobicContact CD1-SD 4.17Å; L75-M244 HydrophobicContact CD2-SD 4.31Å; L75-M244 HydrophobicContact CG-CE 4.23Å; L75-M244 HydrophobicContact CG-SD 4.36Å; L75-M271 HydrophobicContact CD1-CB 4.12Å; L75-Q273 HydrophobicContact CB-CG 3.96Å; L75-R278 HydrophobicContact CD1-CB 4.13Å; L75-R278 HydrophobicContact CD1-CG 3.9Å; L75-R278 HydrophobicContact CD2-CG 3.86Å
76R97.7Very high95.9Very high18 Ų1816.2 Ų16.27%0.06810%0.1CC..Hα-helixtrans-64.3-40179.1-52-51.3172.1179.83.4111P71 T72 V73 N78 Y79 I80 I109 Y110 L113 N179P71-R76 HydrophobicContact CB-CG 3.86Å; T72-R76 PolarHBondContact O-N 3.42Å; V73-R76 PolarHBondContact O-N 2.85Å; V73-R76 VanDerWaalsContact O-N 3.1Å; R76-N78 PolarHBondContact O-N 3.05Å; R76-Y79 WeakPolarHBondContact O-CB 3.47Å; R76-Y79 PolarHBondContact O-N 2.72Å; R76-Y79 VanDerWaalsContact O-N 3.15Å; R76-I80 PolarHBondContact O-N 3.12Å; R76-I80 VanDerWaalsContact O-N 3.12Å; R76-I109 HydrophobicContact CB-CG1 4.17Å; R76-I109 HydrophobicContact CG-CG1 4.04Å; R76-I109 HydrophobicContact CG-CG2 4.14Å; R76-Y110 HydrophobicContact CB-CD1 4.26Å; R76-Y110 HydrophobicContact CB-CE1 3.75Å; R76-Y110 WeakPolarHBondContact CD-OH 3.29Å; R76-Y110 HydrophobicContact CG-CE1 4.26Å; R76-Y110 PolarHBondContact NH1-OH 3.3Å; R76-L113 HydrophobicContact CB-CD1 4.07Å; R76-N179 VanDerWaalsContact NH1-CG 3.32Å; R76-N179 PolarHBondContact NH1-ND2 3.06Å
77L97.6Very high96.3Very high3 Ų313.8 Ų13.82%0.0167%0.073CC..Hα-helixtrans-64-35.5174.1-174.161.3000113I6 Y7 F58 V73 L75 Y79 I80 L81 K117I6-L77 HydrophobicContact CG1-CD2 4.02Å; Y7-L77 HydrophobicContact CD2-CD2 4.29Å; Y7-L77 HydrophobicContact CE2-CD2 4.22Å; F58-L77 HydrophobicContact CE1-CD1 4.38Å; F58-L77 HydrophobicContact CZ-CD1 4.21Å; F58-L77 HydrophobicContact CZ-CD2 3.98Å; V73-L77 WeakPolarHBondContact O-CB 3.49Å; V73-L77 PolarHBondContact O-N 2.94Å; L75-L77 VanDerWaalsContact C-N 3.3Å; L75-L77 PolarHBondContact O-N 2.89Å; L77-Y79 VanDerWaalsContact C-N 3.26Å; L77-Y79 PolarHBondContact O-N 2.99Å; L77-I80 PolarHBondContact O-N 3.07Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.16Å; L77-L81 HydrophobicContact CG-CD1 3.9Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 2.85Å; L77-K117 HydrophobicContact CD1-CD 4.19Å
78N97.3Very high96.4Very high1 Ų116.8 Ų16.81%0.0058%0.083CC..Hα-helixtrans-58.6-39.4172.9-76.2-30.8000111.7H2 N5 P74 L75 R76 W82 M271 Q273H2-N78 WeakPolarHBondContact CB-OD1 3.34Å; H2-N78 PolarHBondContact N-OD1 3.39Å; N5-N78 PolarHBondContact ND2-OD1 2.79Å; P74-N78 PolarHBondContact O-N 3Å; P74-N78 VanDerWaalsContact O-N 3.15Å; P74-N78 PolarHBondContact O-ND2 2.75Å; L75-N78 WeakPolarHBondContact O-CB 3.24Å; L75-N78 PolarHBondContact O-N 2.93Å; R76-N78 PolarHBondContact O-N 3.05Å; N78-W82 WeakPolarHBondContact O-CB 3.35Å; N78-W82 PolarHBondContact O-N 3.15Å; N78-M271 HydrophobicContact CB-CB 4.25Å; N78-M271 HydrophobicContact CB-CG 4.09Å; N78-M271 HydrophobicContact CB-SD 4.27Å; N78-Q273 PolarHBondContact ND2-OE1 3.2Å; N78-Q273 VanDerWaalsContact ND2-OE1 3.15Å
79Y98.2Very high96.3Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-69-46.5177.5-162.4178.6000111.1L75 R76 L77 L81 W82 L83 Y110 M177 A178 T242 V243 M244 M271L75-Y79 PolarHBondContact O-N 2.82Å; R76-Y79 WeakPolarHBondContact O-CB 3.47Å; R76-Y79 PolarHBondContact O-N 2.72Å; R76-Y79 VanDerWaalsContact O-N 3.15Å; L77-Y79 VanDerWaalsContact C-N 3.26Å; L77-Y79 PolarHBondContact O-N 2.99Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.06Å; Y79-W82 AromaticContact CD2-CE3 3.53Å; Y79-W82 HydrophobicContact CD2-CE3 3.53Å; Y79-W82 AromaticContact CD2-CZ3 3.92Å; Y79-W82 HydrophobicContact CD2-CZ3 3.92Å; Y79-W82 AromaticContact CE2-CE3 3.59Å; Y79-W82 HydrophobicContact CE2-CE3 3.59Å; Y79-W82 AromaticContact CE2-CZ3 3.5Å; Y79-W82 HydrophobicContact CE2-CZ3 3.5Å; Y79-W82 VanDerWaalsContact CE2-CZ3 3.5Å; Y79-W82 PolarHBondContact O-N 3.33Å; Y79-L83 WeakPolarHBondContact O-CB 3.24Å; Y79-L83 PolarHBondContact O-N 2.87Å; Y79-Y110 AromaticContact CD1-CE1 3.81Å; Y79-Y110 HydrophobicContact CD1-CE1 3.81Å; Y79-Y110 HydrophobicContact CD1-CE2 4.49Å; Y79-Y110 AromaticContact CD1-CZ 3.74Å; Y79-Y110 HydrophobicContact CG-CE1 4.29Å; Y79-M177 HydrophobicContact CD1-CE 3.77Å; Y79-M177 HydrophobicContact CE1-CB 4.28Å; Y79-M177 HydrophobicContact CE1-CE 3.83Å; Y79-M177 HydrophobicContact CE2-CB 4.45Å; Y79-M177 HydrophobicContact CG-CE 4.18Å; Y79-A178 PolarHBondContact OH-N 3.15Å; Y79-T242 WeakPolarHBondContact CE2-OG1 3.48Å; Y79-T242 WeakPolarHBondContact OH-CB 3.5Å; Y79-T242 PolarHBondContact OH-O 3.49Å; Y79-T242 PolarHBondContact OH-OG1 3.45Å; Y79-V243 WeakPolarHBondContact OH-CA 3.18Å; Y79-V243 PolarHBondContact OH-N 3.29Å; Y79-M244 HydrophobicContact CD1-CB 4.22Å; Y79-M244 HydrophobicContact CD1-CE 3.55Å; Y79-M244 HydrophobicContact CE1-CB 3.9Å; Y79-M244 HydrophobicContact CE1-CE 4.37Å; Y79-M244 HydrophobicContact CG-CE 3.92Å; Y79-M271 HydrophobicContact CG-SD 4.36Å
80I98.4Very high96.2Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-56.3-46.4176.1-65.4-65.1000111.3R76 L77 L83 E84 Y110 L113 W120 M177R76-I80 PolarHBondContact O-N 3.12Å; R76-I80 VanDerWaalsContact O-N 3.12Å; L77-I80 PolarHBondContact O-N 3.07Å; I80-L83 WeakPolarHBondContact O-CB 3.48Å; I80-L83 PolarHBondContact O-N 3.42Å; I80-E84 WeakPolarHBondContact O-CG 3.44Å; I80-E84 PolarHBondContact O-N 2.73Å; I80-Y110 HydrophobicContact CD1-CD1 4.07Å; I80-Y110 HydrophobicContact CG1-CD1 4.22Å; I80-L113 HydrophobicContact CG1-CB 4.25Å; I80-W120 HydrophobicContact CD1-CZ3 4.12Å; I80-W120 HydrophobicContact CG2-CH2 4.2Å; I80-W120 HydrophobicContact CG2-CZ3 4.01Å; I80-M177 HydrophobicContact CD1-CE 4.45Å
81L97.6Very high95.5Very high2 Ų225.6 Ų25.61%0.0113%0.126CC..Hα-helixtrans-67.1-37.5179.8-68.6169.7000113H2 R4 N5 L77 Y79 L83 E84 D85H2-L81 HydrophobicContact CB-CB 4.3Å; H2-L81 HydrophobicContact CB-CD1 4.02Å; R4-L81 VanDerWaalsContact C-CD1 3.45Å; R4-L81 HydrophobicContact CB-CD1 4.25Å; R4-L81 HydrophobicContact CB-CD2 4.01Å; R4-L81 PolarHBondContact NH2-O 2.97Å; R4-L81 WeakPolarHBondContact O-CD1 3.32Å; N5-L81 HydrophobicContact CB-CD1 3.83Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.16Å; L77-L81 HydrophobicContact CG-CD1 3.9Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 VanDerWaalsContact O-CG 3.25Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 2.85Å; Y79-L81 VanDerWaalsContact C-N 3.32Å; Y79-L81 PolarHBondContact O-N 3.06Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-E84 WeakPolarHBondContact O-CB 3.4Å; L81-E84 PolarHBondContact O-N 2.95Å; L81-D85 PolarHBondContact O-N 3.17Å
82W97.8Very high94.7Very high0 Ų033.6 Ų33.60%016%0.156CC..Hα-helixtrans-63.9-40.3172.317442.6000111.3N78 Y79 E84 D85 L86 T242 Y269 M271 G280 A282N78-W82 WeakPolarHBondContact O-CB 3.35Å; N78-W82 PolarHBondContact O-N 3.15Å; Y79-W82 AromaticContact CD2-CE3 3.53Å; Y79-W82 HydrophobicContact CD2-CE3 3.53Å; Y79-W82 AromaticContact CD2-CZ3 3.92Å; Y79-W82 HydrophobicContact CD2-CZ3 3.92Å; Y79-W82 AromaticContact CE2-CE3 3.59Å; Y79-W82 HydrophobicContact CE2-CE3 3.59Å; Y79-W82 AromaticContact CE2-CZ3 3.5Å; Y79-W82 HydrophobicContact CE2-CZ3 3.5Å; Y79-W82 VanDerWaalsContact CE2-CZ3 3.5Å; Y79-W82 PolarHBondContact O-N 3.33Å; W82-E84 VanDerWaalsContact C-N 3.34Å; W82-E84 PolarHBondContact O-N 3.24Å; W82-D85 PolarHBondContact O-N 3.2Å; W82-D85 VanDerWaalsContact O-N 3.14Å; W82-L86 HydrophobicContact CD2-CD1 4.16Å; W82-L86 HydrophobicContact CH2-CD1 4.43Å; W82-L86 HydrophobicContact CZ2-CD1 3.87Å; W82-L86 PolarHBondContact O-N 2.89Å; W82-T242 HydrophobicContact CH2-CG2 4.27Å; W82-Y269 HydrophobicContact CB-CD1 4.19Å; W82-Y269 HydrophobicContact CB-CE1 4.08Å; W82-Y269 AromaticContact CD1-CD1 3.89Å; W82-Y269 AromaticContact CD1-CD2 3.35Å; W82-Y269 AromaticContact CD1-CE2 3.57Å; W82-Y269 AromaticContact CD1-CG 3.52Å; W82-Y269 AromaticContact CD1-CZ 3.96Å; W82-Y269 AromaticContact CD2-CD1 3.97Å; W82-Y269 HydrophobicContact CD2-CD1 3.97Å; W82-Y269 HydrophobicContact CD2-CD2 4.41Å; W82-Y269 AromaticContact CD2-CG 3.82Å; W82-Y269 HydrophobicContact CD2-CG 3.82Å; W82-Y269 AromaticContact CE2-CG 3.63Å; W82-Y269 AromaticContact CG-CD1 3.74Å; W82-Y269 HydrophobicContact CG-CD1 3.74Å; W82-Y269 HydrophobicContact CG-CD2 4.04Å; W82-Y269 HydrophobicContact CG-CE1 4.02Å; W82-Y269 HydrophobicContact CG-CE2 4.27Å; W82-Y269 AromaticContact CG-CG 3.76Å; W82-Y269 HydrophobicContact CG-CG 3.76Å; W82-Y269 HydrophobicContact CZ2-CG 4.32Å; W82-Y269 AromaticContact NE1-CD2 3.3Å; W82-Y269 VanDerWaalsContact NE1-CD2 3.3Å; W82-Y269 AromaticContact NE1-CE2 3.99Å; W82-Y269 AromaticContact NE1-CG 3.42Å; W82-M271 HydrophobicContact CE3-CE 4.37Å; W82-G280 VanDerWaalsContact CZ3-CA 3.47Å; W82-A282 HydrophobicContact CH2-CB 3.85Å; W82-A282 HydrophobicContact CZ2-CB 3.65Å
83L97.8Very high94.3Very high0 Ų036.1 Ų36.10%016%0.163CC..Hα-helixtrans-63-39.9175.6-160.965.9000111.6Y79 I80 L81 D85 L86 L87 I99 W120 A175 M177 T242Y79-L83 WeakPolarHBondContact O-CB 3.24Å; Y79-L83 PolarHBondContact O-N 2.87Å; I80-L83 WeakPolarHBondContact O-CB 3.48Å; I80-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.35Å; L83-L86 HydrophobicContact CD1-CD1 4.18Å; L83-L86 PolarHBondContact O-N 2.77Å; L83-L87 HydrophobicContact CG-CD1 4.35Å; L83-L87 WeakPolarHBondContact O-CB 3.37Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 2.8Å; L83-I99 HydrophobicContact CD2-CD1 3.9Å; L83-I99 HydrophobicContact CD2-CG2 4.14Å; L83-W120 HydrophobicContact CB-CH2 4.17Å; L83-W120 HydrophobicContact CD2-CH2 4.24Å; L83-W120 HydrophobicContact CD2-CZ3 3.95Å; L83-W120 HydrophobicContact CG-CH2 4.35Å; L83-A175 HydrophobicContact CD1-CB 3.74Å; L83-A175 HydrophobicContact CD2-CB 4.43Å; L83-A175 HydrophobicContact CG-CB 4.32Å; L83-M177 HydrophobicContact CD2-SD 3.94Å; L83-T242 HydrophobicContact CD1-CG2 3.98Å
84E97.1Very high93.6Very high12 Ų1237.8 Ų37.86%0.05618%0.175CC..Hα-helixtrans-56.7-40.9172.1-69.8173-17200112.4R4 I80 L81 W82 L87 K88 K117 N118 W120R4-E84 IonicContact CZ-OE2 2.9Å; R4-E84 VanDerWaalsContact CZ-OE2 3.29Å; R4-E84 IonicContact NH1-OE2 3.42Å; R4-E84 PolarHBondContact NH1-OE2 3.43Å; R4-E84 IonicContact NH2-OE2 2.72Å; R4-E84 PolarHBondContact NH2-OE2 2.82Å; I80-E84 WeakPolarHBondContact O-CG 3.44Å; I80-E84 PolarHBondContact O-N 2.73Å; L81-E84 WeakPolarHBondContact O-CB 3.4Å; L81-E84 PolarHBondContact O-N 2.95Å; W82-E84 VanDerWaalsContact C-N 3.34Å; W82-E84 PolarHBondContact O-N 3.24Å; E84-L87 PolarHBondContact O-N 2.96Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 3.5Å; E84-K88 VanDerWaalsContact O-N 3.1Å; E84-K117 WeakPolarHBondContact OE1-CE 3.34Å; E84-K117 IonicContact OE1-NZ 3.2Å; E84-K117 PolarHBondContact OE1-NZ 3.48Å; E84-K117 IonicContact OE2-NZ 3.65Å; E84-N118 VanDerWaalsContact CD-ND2 3.31Å; E84-N118 PolarHBondContact OE1-ND2 2.84Å; E84-N118 PolarHBondContact OE1-OD1 3.23Å; E84-W120 HydrophobicContact CB-CZ2 4.39Å; E84-W120 HydrophobicContact CG-CH2 3.64Å; E84-W120 HydrophobicContact CG-CZ2 3.56Å
85D96.7Very high93.1Very high29 Ų2944.7 Ų44.716%0.15521%0.205CC..Hα-helixtrans-73.8-30.6-179.8-68.6-35.5000112.5H2 R4 L81 W82 L83 K88 P292H2-D85 IonicContact CE1-OD2 2.68Å; H2-D85 PolarHBondContact CE1-OD2 3.27Å; H2-D85 VanDerWaalsContact CE1-OD2 3.23Å; H2-D85 IonicContact NE2-OD2 3.42Å; H2-D85 PolarHBondContact NE2-OD2 2.82Å; R4-D85 IonicContact CZ-OD1 3.94Å; R4-D85 IonicContact CZ-OD2 3.17Å; R4-D85 IonicContact NE-OD1 3.2Å; R4-D85 IonicContact NE-OD2 3.57Å; R4-D85 IonicContact NH2-OD1 3.06Å; R4-D85 PolarHBondContact NH2-OD1 2.83Å; R4-D85 IonicContact NH2-OD2 3.59Å; R4-D85 PolarHBondContact NH2-OD2 2.75Å; L81-D85 PolarHBondContact O-N 3.17Å; W82-D85 PolarHBondContact O-N 3.2Å; W82-D85 VanDerWaalsContact O-N 3.14Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-D85 PolarHBondContact O-N 3.35Å; D85-K88 IonicContact OD1-NZ 2.8Å; D85-K88 PolarHBondContact OD1-NZ 2.83Å; D85-P292 HydrophobicContact CB-CB 3.96Å; D85-P292 HydrophobicContact CB-CG 3.99Å
86L97.1Very high93Very high0 Ų047.3 Ų47.30%022%0.222CC..Hα-helixtrans-65.6-48.1168.8-69.7168.3000111.3W82 L83 K88 N89 V240 T242 A282 F289 F291 P292W82-L86 HydrophobicContact CD2-CD1 4.16Å; W82-L86 HydrophobicContact CH2-CD1 4.43Å; W82-L86 HydrophobicContact CZ2-CD1 3.87Å; W82-L86 PolarHBondContact O-N 2.89Å; L83-L86 HydrophobicContact CD1-CD1 4.18Å; L83-L86 PolarHBondContact O-N 2.77Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 2.86Å; L86-N89 PolarHBondContact O-N 3.21Å; L86-V240 HydrophobicContact CB-CG1 4.36Å; L86-T242 HydrophobicContact CD1-CG2 3.52Å; L86-A282 HydrophobicContact CD1-CB 4.37Å; L86-F289 HydrophobicContact CD2-CE1 3.96Å; L86-F289 HydrophobicContact CD2-CZ 4.37Å; L86-F289 WeakPolarHBondContact O-CZ 3.21Å; L86-F291 HydrophobicContact CD2-CD1 3.64Å; L86-F291 HydrophobicContact CD2-CE1 4.2Å; L86-P292 VanDerWaalsContact CD2-CD 3.44Å; L86-P292 HydrophobicContact CD2-CG 3.94Å; L86-P292 HydrophobicContact CG-CG 4.13Å
87L96.4Very high92.9Very high10 Ų1046.8 Ų46.85%0.05222%0.222CC..Hα-helixtrans-62.7-36.1-176.9-69.9173.1000112.4L83 E84 N89 L90 A97 I99 W120 D174 A175L83-L87 HydrophobicContact CG-CD1 4.35Å; L83-L87 WeakPolarHBondContact O-CB 3.37Å; L83-L87 VanDerWaalsContact O-CG 3.24Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 2.8Å; E84-L87 PolarHBondContact O-N 2.96Å; L87-N89 PolarHBondContact O-N 2.82Å; L87-L90 HydrophobicContact CD2-CD1 3.58Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 2.83Å; L87-L90 VanDerWaalsContact O-N 3.13Å; L87-A97 HydrophobicContact CD1-CB 4.21Å; L87-I99 HydrophobicContact CD1-CD1 4.06Å; L87-W120 HydrophobicContact CD1-CH2 3.92Å; L87-W120 HydrophobicContact CD1-CZ2 3.4Å; L87-W120 VanDerWaalsContact CD1-CZ2 3.4Å; L87-D174 HydrophobicContact CD2-CB 3.59Å; L87-A175 HydrophobicContact CD2-CB 4.01Å
88K93.8Very high92.8Very high123 Ų12347.6 Ų47.654%0.53523%0.228SC..Hα-helixtrans-58.7-27.3174.4-75.7171.8-164.5162.50113.8R4 E84 D85 L86R4-K88 VanDerWaalsContact NH1-NZ 3.2Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.47Å; E84-K88 PolarHBondContact O-N 3.5Å; E84-K88 VanDerWaalsContact O-N 3.1Å; D85-K88 IonicContact OD1-NZ 2.8Å; D85-K88 PolarHBondContact OD1-NZ 2.83Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 2.86Å
89N92.6Very high92.9Very high61 Ų6147.6 Ų47.633%0.32623%0.228SC..THydrogen-bonded Turntrans-92.6-1.2-177.3-65-7.3000112.4L86 L87 F289 Q290L86-N89 PolarHBondContact O-N 3.21Å; L87-N89 PolarHBondContact O-N 2.82Å; N89-F289 HydrophobicContact CB-CE2 3.98Å; N89-F289 HydrophobicContact CB-CZ 3.9Å; N89-F289 WeakPolarHBondContact O-CE2 3.46Å; N89-Q290 PolarHBondContact ND2-O 3.23Å
90L91.3Very high92.9Very high7 Ų747.6 Ų47.64%0.03723%0.228CC..  trans-76.4124.4171.7-67.2172.9000109.9L87 R92 F93 D174 L286 F289L87-L90 HydrophobicContact CD2-CD1 3.58Å; L87-L90 WeakPolarHBondContact O-CB 3.37Å; L87-L90 PolarHBondContact O-N 2.83Å; L87-L90 VanDerWaalsContact O-N 3.13Å; L90-R92 PolarHBondContact O-N 2.95Å; L90-F93 HydrophobicContact CB-CB 4.27Å; L90-F93 HydrophobicContact CD1-CB 4.32Å; L90-D174 HydrophobicContact CD1-CB 4.08Å; L90-D174 WeakPolarHBondContact CD1-O 3.29Å; L90-L286 HydrophobicContact CD2-CD1 3.56Å; L90-F289 HydrophobicContact CD2-CD2 4.29Å; L90-F289 HydrophobicContact CD2-CE2 3.59Å; L90-F289 HydrophobicContact CD2-CZ 4.33Å; L90-F289 HydrophobicContact CG-CE2 4.07Å
91Q79.8Confident92.9Very high199 Ų19947.6 Ų47.693%0.9323%0.228SC*.SBendtrans-64.8-31.5173.2-66.3178.31.200112.2
92R79.2Confident92.9Very high172 Ų17248.4 Ų48.465%0.64923%0.232SC*.SBendtrans-123.6117.4176.2175.4-179.7173.7161.5-0107.7L90L90-R92 PolarHBondContact O-N 2.95Å
93F84.2Confident92.8Very high93 Ų9350.1 Ų50.141%0.40825%0.25SC..  trans-137.6158.3167.769.1-79.2000110.1L90 E95 D174L90-F93 HydrophobicContact CB-CB 4.27Å; L90-F93 HydrophobicContact CD1-CB 4.32Å; F93-E95 HydrophobicContact CD2-CG 4.27Å; F93-E95 HydrophobicContact CE2-CG 3.57Å; F93-E95 HydrophobicContact CZ-CG 4.13Å; F93-E95 WeakPolarHBondContact CZ-OE1 3.38Å; F93-D174 WeakPolarHBondContact CA-OD1 3.31Å; F93-D174 HydrophobicContact CB-CB 4.43Å
94S82.4Confident92.9Very high34 Ų3450.4 Ų50.424%0.23825%0.251CS..  trans-79.3145.5176.6-44.60000110.1P96 A97 D174S94-P96 VanDerWaalsContact C-C 3.44Å; S94-P96 CarbonylContact C-O 3.53Å; S94-P96 VanDerWaalsContact CB-O 3.29Å; S94-P96 WeakPolarHBondContact CB-O 3.1Å; S94-P96 CarbonylContact O-C 3.02Å; S94-A97 WeakPolarHBondContact O-CA 3.49Å; S94-A97 PolarHBondContact O-N 2.87Å; S94-D174 WeakPolarHBondContact CB-OD2 3.11Å; S94-D174 VanDerWaalsContact N-CG 3.26Å; S94-D174 PolarHBondContact N-OD1 2.55Å; S94-D174 PolarHBondContact N-OD2 3.47Å; S94-D174 VanDerWaalsContact N-OD2 3.1Å; S94-D174 PolarHBondContact OG-OD1 2.87Å; S94-D174 PolarHBondContact OG-OD2 3.46Å; S94-D174 VanDerWaalsContact OG-OD2 3.05Å
95E86.4Confident92.8Very high169 Ų16950.3 Ų50.379%0.7925%0.254SS*.SBendtrans-116.1107.3169.3-72.1-166.1173.600109.5F93F93-E95 HydrophobicContact CD2-CG 4.27Å; F93-E95 HydrophobicContact CE2-CG 3.57Å; F93-E95 HydrophobicContact CZ-CG 4.13Å; F93-E95 WeakPolarHBondContact CZ-OE1 3.38Å
96P93Very high92.9Very high60 Ų6049 Ų4939%0.3925%0.247SC..SBendcis-70.8157.2-3.531.6-38000113.8S94 S98 S119 Q121S94-P96 VanDerWaalsContact C-C 3.44Å; S94-P96 CarbonylContact C-O 3.53Å; S94-P96 VanDerWaalsContact CB-O 3.29Å; S94-P96 WeakPolarHBondContact CB-O 3.1Å; S94-P96 CarbonylContact O-C 3.02Å; P96-S98 PolarHBondContact O-N 2.56Å; P96-S119 WeakPolarHBondContact CB-O 3.38Å; P96-Q121 HydrophobicContact CB-CG 4.29Å; P96-Q121 HydrophobicContact CG-CG 3.46Å; P96-Q121 VanDerWaalsContact CG-CG 3.46Å
97A96.3Very high92.9Very high7 Ų749.4 Ų49.46%0.05825%0.25CC..PPolyproline II helixtrans-62.7135.6-179.600000111.4L87 S94 W120 Q121 D174L87-A97 HydrophobicContact CD1-CB 4.21Å; S94-A97 WeakPolarHBondContact O-CA 3.49Å; S94-A97 PolarHBondContact O-N 2.87Å; A97-W120 HydrophobicContact CB-CG 4.26Å; A97-Q121 PolarHBondContact O-N 3.46Å; A97-D174 WeakPolarHBondContact CA-OD2 3.37Å; A97-D174 HydrophobicContact CB-CB 4.47Å
98S96.5Very high93Very high21 Ų2149 Ų4915%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-101.6116.4-179.9-68.10000110.6P96 Q121 L173 D174P96-S98 PolarHBondContact O-N 2.56Å; S98-Q121 CarbonylContact C-O 3.54Å; S98-Q121 WeakPolarHBondContact CA-O 3.41Å; S98-L173 CarbonylContact O-C 3.56Å; S98-D174 PolarHBondContact N-OD2 2.79Å; S98-D174 PolarHBondContact O-N 3.44Å
99I98.1Very high93.2Very high0 Ų043.3 Ų43.30%022%0.223CC..EExtended strand (participates in β ladder)trans-126.6139.1-170.9-58.9170.3000110.1L83 L87 W120 Q121 F122 F123 A175 M177L83-I99 HydrophobicContact CD2-CD1 3.9Å; L83-I99 HydrophobicContact CD2-CG2 4.14Å; L87-I99 HydrophobicContact CD1-CD1 4.06Å; I99-W120 HydrophobicContact CD1-CB 4.13Å; I99-W120 HydrophobicContact CD1-CD2 3.35Å; I99-W120 HydrophobicContact CD1-CE3 3.14Å; I99-W120 HydrophobicContact CD1-CG 3.83Å; I99-W120 HydrophobicContact CD1-CH2 4.25Å; I99-W120 HydrophobicContact CD1-CZ2 4.44Å; I99-W120 HydrophobicContact CD1-CZ3 3.63Å; I99-Q121 PolarHBondContact N-O 2.85Å; I99-F122 HydrophobicContact CB-CD1 4Å; I99-F122 HydrophobicContact CB-CE1 3.81Å; I99-F122 HydrophobicContact CB-CZ 4.17Å; I99-F122 HydrophobicContact CD1-CE1 4.46Å; I99-F122 HydrophobicContact CD1-CE2 4.37Å; I99-F122 HydrophobicContact CD1-CZ 4Å; I99-F122 HydrophobicContact CG2-CD1 3.99Å; I99-F122 HydrophobicContact CG2-CE1 3.5Å; I99-F122 HydrophobicContact CG2-CZ 4.11Å; I99-F122 CarbonylContact O-C 3.55Å; I99-F122 VanDerWaalsContact O-CA 3.31Å; I99-F122 WeakPolarHBondContact O-CA 3.49Å; I99-F123 PolarHBondContact O-N 3.17Å; I99-A175 VanDerWaalsContact CA-O 3.32Å; I99-A175 WeakPolarHBondContact CA-O 3.22Å; I99-A175 HydrophobicContact CG1-CB 4.45Å; I99-M177 HydrophobicContact CG2-CG 4.16Å; I99-M177 HydrophobicContact CG2-SD 4.09Å
100L98.1Very high93.5Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-101.4123.6169.2170.858.5000110.7I102 F123 T125 L160 V163 L173 A175 V176 M177L100-I102 HydrophobicContact CD1-CG1 4.42Å; L100-I102 HydrophobicContact CD2-CD1 4.33Å; L100-I102 HydrophobicContact CD2-CG1 4.1Å; L100-I102 HydrophobicContact CG-CG1 3.94Å; L100-F123 CarbonylContact C-O 3.45Å; L100-F123 VanDerWaalsContact CA-O 3.27Å; L100-F123 WeakPolarHBondContact CA-O 3.43Å; L100-F123 HydrophobicContact CD1-CB 4.13Å; L100-F123 VanDerWaalsContact CD1-O 3.3Å; L100-F123 WeakPolarHBondContact CD1-O 3.34Å; L100-T125 HydrophobicContact CD1-CG2 4.13Å; L100-L160 HydrophobicContact CD2-CD2 3.61Å; L100-L160 HydrophobicContact CD2-CG 4.13Å; L100-V163 HydrophobicContact CD1-CG2 3.86Å; L100-V163 HydrophobicContact CD2-CG2 4.27Å; L100-L173 HydrophobicContact CB-CD1 3.8Å; L100-L173 HydrophobicContact CD2-CD1 4.23Å; L100-A175 PolarHBondContact N-O 3.44Å; L100-V176 HydrophobicContact CB-CG2 4.21Å; L100-V176 HydrophobicContact CD2-CG1 4.39Å; L100-V176 HydrophobicContact CD2-CG2 4.38Å; L100-V176 HydrophobicContact CG-CG1 4.45Å; L100-V176 CarbonylContact O-C 3.25Å; L100-V176 WeakPolarHBondContact O-CA 3.47Å; L100-M177 PolarHBondContact O-N 3.21Å
101D98.6Very high93.9Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-101.6120166.8-172.925.2000110.8V104 P111 F122 F123 G124 T125 M177D101-V104 HydrophobicContact CB-CG1 3.96Å; D101-V104 WeakPolarHBondContact OD2-CG1 3.42Å; D101-P111 HydrophobicContact CB-CG 4.12Å; D101-P111 VanDerWaalsContact OD2-CD 3.26Å; D101-P111 WeakPolarHBondContact OD2-CD 3.32Å; D101-F122 HydrophobicContact CB-CD1 4.29Å; D101-F122 HydrophobicContact CB-CE1 4.48Å; D101-F123 PolarHBondContact N-O 3.07Å; D101-G124 WeakPolarHBondContact O-CA 3.26Å; D101-T125 PolarHBondContact O-N 3.39Å; D101-M177 HydrophobicContact CB-CG 3.99Å; D101-M177 HydrophobicContact CB-SD 4.49Å
102I98.1Very high94.8Very high19 Ų1931 Ų3110%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-97.6113.2-179.2-55.6178.2000109.6L100 V176 M177 A178 F223 L227L100-I102 HydrophobicContact CD1-CG1 4.42Å; L100-I102 HydrophobicContact CD2-CD1 4.33Å; L100-I102 HydrophobicContact CD2-CG1 4.1Å; L100-I102 HydrophobicContact CG-CG1 3.94Å; I102-V176 HydrophobicContact CD1-CG1 3.71Å; I102-V176 HydrophobicContact CG1-CG1 4.21Å; I102-M177 PolarHBondContact N-O 2.7Å; I102-A178 HydrophobicContact CB-CB 4.1Å; I102-F223 HydrophobicContact CG2-CZ 3.82Å; I102-L227 HydrophobicContact CD1-CD1 3.68Å; I102-L227 HydrophobicContact CD1-CD2 4.44Å
103G96.6Very high95.7Very high36 Ų3622.8 Ų22.837%0.37113%0.132SC..SBendtrans79.265-174.300000111.4G105 T125G103-G105 PolarHBondContact O-N 3.02Å; G103-G105 VanDerWaalsContact O-N 3.16Å; G103-T125 VanDerWaalsContact CA-O 3.26Å; G103-T125 WeakPolarHBondContact CA-O 3.28Å; G103-T125 PolarHBondContact N-O 2.77Å
104V97.9Very high96.4Very high6 Ų618.4 Ų18.44%0.03611%0.113CC..  trans-62-22.3-176.6-65.30000113.6D101 C108 P111 G124 T125 E126 A135 L150D101-V104 HydrophobicContact CB-CG1 3.96Å; D101-V104 WeakPolarHBondContact OD2-CG1 3.42Å; V104-C108 WeakPolarHBondContact O-CA 3.41Å; V104-C108 PolarHBondContact O-N 3.23Å; V104-P111 HydrophobicContact CG1-CG 4.03Å; V104-G124 VanDerWaalsContact CG1-CA 3.49Å; V104-T125 PolarHBondContact N-O 3.09Å; V104-T125 VanDerWaalsContact N-O 3.11Å; V104-E126 HydrophobicContact CG2-CB 3.89Å; V104-A135 HydrophobicContact CG2-CB 4.04Å; V104-L150 HydrophobicContact CG1-CD2 4.21Å; V104-L150 HydrophobicContact CG2-CD2 4.3Å
105G97Very high97.1Very high10 Ų1017 Ų1710%0.10310%0.103CC..THydrogen-bonded Turntrans65.2173.2-175.900000113.1G103 S107 C108 E126 A135G103-G105 PolarHBondContact O-N 3.02Å; G103-G105 VanDerWaalsContact O-N 3.16Å; G105-S107 PolarHBondContact O-N 3.34Å; G105-S107 VanDerWaalsContact O-N 3.15Å; G105-C108 PolarHBondContact O-N 3.27Å; G105-E126 VanDerWaalsContact CA-OE2 3.29Å; G105-E126 WeakPolarHBondContact CA-OE2 3.31Å; G105-E126 PolarHBondContact N-OE2 3.43Å; G105-A135 WeakPolarHBondContact O-CB 3.22Å
106A97.6Very high97.7Very high2 Ų214.2 Ų14.22%0.0179%0.088CC..THydrogen-bonded Turntrans-56.3-34.4-179.900000113.8P65 R68 L134 A135 N138P65-A106 HydrophobicContact CG-CB 4.47Å; R68-A106 HydrophobicContact CB-CB 4.04Å; R68-A106 HydrophobicContact CG-CB 4.06Å; A106-L134 HydrophobicContact CB-CB 3.94Å; A106-L134 HydrophobicContact CB-CD1 3.77Å; A106-L134 CarbonylContact O-C 3.52Å; A106-A135 WeakPolarHBondContact O-CA 3.44Å; A106-A135 PolarHBondContact O-N 3.31Å; A106-N138 PolarHBondContact O-ND2 3.46Å
107S97.7Very high97.9Very high8 Ų815.4 Ų15.46%0.0569%0.087CC..THydrogen-bonded Turntrans-76.4-21.7-177.164.50000115G105 I109 L112G105-S107 PolarHBondContact O-N 3.34Å; G105-S107 VanDerWaalsContact O-N 3.15Å; S107-I109 PolarHBondContact O-N 3.28Å; S107-I109 VanDerWaalsContact O-N 3.12Å; S107-I109 WeakPolarHBondContact OG-CB 3.13Å; S107-I109 PolarHBondContact OG-N 3.03Å; S107-L112 VanDerWaalsContact O-CD1 3.25Å; S107-L112 WeakPolarHBondContact O-CD1 3.44Å
108C98.4Very high97.9Very high0 Ų017 Ų170%010%0.095CC..THydrogen-bonded Turntrans50.333.1-170.8-152.90000113.5V104 G105 Y110 P111 L112 A135 V139V104-C108 WeakPolarHBondContact O-CA 3.41Å; V104-C108 PolarHBondContact O-N 3.23Å; G105-C108 PolarHBondContact O-N 3.27Å; C108-Y110 PolarHBondContact O-N 2.97Å; C108-P111 WeakPolarHBondContact O-CD 3.46Å; C108-L112 HydrophobicContact CB-CD1 4.24Å; C108-L112 HydrophobicContact CB-CG 4.24Å; C108-L112 WeakPolarHBondContact O-CB 3.41Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.19Å; C108-L112 PolarHBondContact O-N 3.21Å; C108-A135 HydrophobicContact CB-CB 3.91Å; C108-V139 HydrophobicContact CB-CG2 4.29Å
109I98.6Very high97.9Very high5 Ų520.1 Ų20.13%0.02612%0.117CC..Hα-helixtrans-63.3-38.6-161.7-17259.8000114.1L54 P71 R76 S107 L113L54-I109 HydrophobicContact CD1-CD1 3.71Å; L54-I109 HydrophobicContact CD2-CD1 3.77Å; L54-I109 HydrophobicContact CG-CD1 4.35Å; P71-I109 HydrophobicContact CB-CB 4.4Å; P71-I109 HydrophobicContact CB-CG1 4.27Å; P71-I109 HydrophobicContact CB-CG2 4.09Å; P71-I109 HydrophobicContact CG-CB 4.03Å; P71-I109 HydrophobicContact CG-CD1 4.46Å; P71-I109 HydrophobicContact CG-CG1 4.02Å; P71-I109 HydrophobicContact CG-CG2 4.19Å; R76-I109 HydrophobicContact CB-CG1 4.17Å; R76-I109 HydrophobicContact CG-CG1 4.04Å; R76-I109 HydrophobicContact CG-CG2 4.14Å; S107-I109 PolarHBondContact O-N 3.28Å; S107-I109 VanDerWaalsContact O-N 3.12Å; S107-I109 WeakPolarHBondContact OG-CB 3.13Å; S107-I109 PolarHBondContact OG-N 3.03Å; I109-L113 HydrophobicContact CD1-CD1 3.92Å; I109-L113 HydrophobicContact CD1-CG 4.03Å; I109-L113 HydrophobicContact CG1-CD1 3.88Å; I109-L113 HydrophobicContact CG1-CG 4.39Å; I109-L113 VanDerWaalsContact O-CB 3.32Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.25Å
110Y98.8Very high97.9Very high7 Ų721 Ų213%0.02712%0.12CC..Hα-helixtrans-72.2-48.9-178.8-61.7-64.6000112R76 Y79 I80 C108 L112 L113 G114 M177 N179 M244R76-Y110 HydrophobicContact CB-CD1 4.26Å; R76-Y110 HydrophobicContact CB-CE1 3.75Å; R76-Y110 WeakPolarHBondContact CD-OH 3.29Å; R76-Y110 HydrophobicContact CG-CE1 4.26Å; R76-Y110 PolarHBondContact NH1-OH 3.3Å; Y79-Y110 AromaticContact CD1-CE1 3.81Å; Y79-Y110 HydrophobicContact CD1-CE1 3.81Å; Y79-Y110 HydrophobicContact CD1-CE2 4.49Å; Y79-Y110 AromaticContact CD1-CZ 3.74Å; Y79-Y110 HydrophobicContact CG-CE1 4.29Å; I80-Y110 HydrophobicContact CD1-CD1 4.07Å; I80-Y110 HydrophobicContact CG1-CD1 4.22Å; C108-Y110 PolarHBondContact O-N 2.97Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.09Å; Y110-L113 PolarHBondContact O-N 2.73Å; Y110-G114 PolarHBondContact O-N 2.84Å; Y110-M177 HydrophobicContact CD1-CE 3.41Å; Y110-M177 VanDerWaalsContact CD1-CE 3.41Å; Y110-M177 HydrophobicContact CD2-CE 3.72Å; Y110-M177 HydrophobicContact CE1-CE 3.91Å; Y110-M177 HydrophobicContact CE2-CE 4.22Å; Y110-M177 HydrophobicContact CG-CE 3.29Å; Y110-M177 HydrophobicContact CG-SD 4.32Å; Y110-N179 HydrophobicContact CE2-CB 3.9Å; Y110-M244 WeakPolarHBondContact OH-CE 3.44Å
111P98.8Very high97.9Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-54.8-46.8171.3-29.935.3000113.3D101 V104 C108 G114 S115 F122 I148D101-P111 HydrophobicContact CB-CG 4.12Å; D101-P111 VanDerWaalsContact OD2-CD 3.26Å; D101-P111 WeakPolarHBondContact OD2-CD 3.32Å; V104-P111 HydrophobicContact CG1-CG 4.03Å; C108-P111 WeakPolarHBondContact O-CD 3.46Å; P111-G114 PolarHBondContact O-N 2.76Å; P111-S115 VanDerWaalsContact O-CB 3.25Å; P111-S115 WeakPolarHBondContact O-CB 3.38Å; P111-S115 PolarHBondContact O-N 3.41Å; P111-S115 PolarHBondContact O-OG 2.78Å; P111-F122 HydrophobicContact CB-CB 3.84Å; P111-F122 HydrophobicContact CB-CD1 3.98Å; P111-F122 HydrophobicContact CB-CD2 4.2Å; P111-F122 HydrophobicContact CB-CG 3.75Å; P111-F122 HydrophobicContact CG-CB 4.2Å; P111-F122 HydrophobicContact CG-CD1 3.79Å; P111-F122 HydrophobicContact CG-CE1 4.35Å; P111-F122 HydrophobicContact CG-CG 4.06Å; P111-I148 HydrophobicContact CB-CD1 3.7Å; P111-I148 HydrophobicContact CB-CG1 3.97Å; P111-I148 HydrophobicContact CB-CG2 3.78Å
112L98.8Very high97.9Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-61.9-49.3-179.6-68.3175.4000112.1L60 V62 S107 C108 Y110 K116 N138 V139 N142 L144 I148L60-L112 HydrophobicContact CD1-CB 4.06Å; L60-L112 HydrophobicContact CD2-CB 4.29Å; L60-L112 HydrophobicContact CD2-CD2 4.5Å; V62-L112 HydrophobicContact CG1-CD1 4.35Å; V62-L112 HydrophobicContact CG2-CD1 3.63Å; S107-L112 VanDerWaalsContact O-CD1 3.25Å; S107-L112 WeakPolarHBondContact O-CD1 3.44Å; C108-L112 HydrophobicContact CB-CD1 4.24Å; C108-L112 HydrophobicContact CB-CG 4.24Å; C108-L112 WeakPolarHBondContact O-CB 3.41Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.19Å; C108-L112 PolarHBondContact O-N 3.21Å; Y110-L112 VanDerWaalsContact C-N 3.35Å; Y110-L112 PolarHBondContact O-N 3.09Å; L112-K116 WeakPolarHBondContact O-CB 3.49Å; L112-K116 PolarHBondContact O-N 3.25Å; L112-N138 HydrophobicContact CD1-CB 4.29Å; L112-V139 HydrophobicContact CD2-CG2 4.2Å; L112-N142 HydrophobicContact CD2-CB 4.32Å; L112-L144 HydrophobicContact CD2-CD1 3.68Å; L112-I148 HydrophobicContact CD2-CD1 3.94Å; L112-I148 HydrophobicContact CG-CD1 4.5Å
113L98.5Very high97.8Very high1 Ų124.6 Ų24.61%0.00514%0.136CC..Hα-helixtrans-62.9-48.3178.6-77.3174.2000111.7L54 F58 L60 R76 I80 I109 Y110 K116 K117L54-L113 HydrophobicContact CD2-CD2 3.68Å; L54-L113 HydrophobicContact CD2-CG 4.28Å; F58-L113 HydrophobicContact CB-CD2 4.49Å; F58-L113 HydrophobicContact CD1-CD2 3.89Å; F58-L113 HydrophobicContact CD2-CD2 3.91Å; F58-L113 HydrophobicContact CE1-CD2 4.08Å; F58-L113 HydrophobicContact CE2-CD2 4.1Å; F58-L113 HydrophobicContact CG-CD2 3.81Å; F58-L113 HydrophobicContact CZ-CD2 4.19Å; L60-L113 HydrophobicContact CD1-CD2 4.16Å; R76-L113 HydrophobicContact CB-CD1 4.07Å; I80-L113 HydrophobicContact CG1-CB 4.25Å; I109-L113 HydrophobicContact CD1-CD1 3.92Å; I109-L113 HydrophobicContact CD1-CG 4.03Å; I109-L113 HydrophobicContact CG1-CD1 3.88Å; I109-L113 HydrophobicContact CG1-CG 4.39Å; I109-L113 VanDerWaalsContact O-CB 3.32Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.25Å; Y110-L113 PolarHBondContact O-N 2.73Å; L113-K116 PolarHBondContact O-N 2.85Å; L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 PolarHBondContact O-N 3.21Å
114G98.3Very high97.9Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-67.6-42.6-177.100000112.8Y110 P111 N118 S119Y110-G114 PolarHBondContact O-N 2.84Å; P111-G114 PolarHBondContact O-N 2.76Å; G114-N118 CarbonylContact O-C 3.52Å; G114-N118 WeakPolarHBondContact O-CA 3.24Å; G114-N118 VanDerWaalsContact O-CB 3.31Å; G114-N118 WeakPolarHBondContact O-CB 3.32Å; G114-N118 PolarHBondContact O-N 2.95Å; G114-S119 PolarHBondContact O-N 2.91Å
115S98.1Very high97.9Very high6 Ų622.7 Ų22.74%0.04212%0.117CC..Hα-helixtrans-65.7-41.6175-66.70000111.9P111 S119 W120 I148P111-S115 VanDerWaalsContact O-CB 3.25Å; P111-S115 WeakPolarHBondContact O-CB 3.38Å; P111-S115 PolarHBondContact O-N 3.41Å; P111-S115 PolarHBondContact O-OG 2.78Å; S115-S119 WeakPolarHBondContact O-CA 3.3Å; S115-S119 PolarHBondContact O-N 2.82Å; S115-W120 PolarHBondContact OG-O 3.43Å; S115-I148 WeakPolarHBondContact OG-CG1 3.39Å
116K97.8Very high97.9Very high109 Ų10922.7 Ų22.747%0.47411%0.114SC..Hα-helixtrans-71.5-41.2-179.2-173.762.3170.3-173.70113F58 L60 L112 L113F58-K116 WeakPolarHBondContact O-CE 3.41Å; F58-K116 WeakPolarHBondContact O-CG 3.21Å; L60-K116 HydrophobicContact CD1-CB 4.13Å; L60-K116 HydrophobicContact CD1-CG 4.37Å; L60-K116 HydrophobicContact CD2-CB 4.1Å; L60-K116 HydrophobicContact CD2-CG 4.17Å; L60-K116 HydrophobicContact CG-CB 4.26Å; L60-K116 HydrophobicContact CG-CG 4.09Å; L112-K116 WeakPolarHBondContact O-CB 3.49Å; L112-K116 PolarHBondContact O-N 3.25Å; L113-K116 PolarHBondContact O-N 2.85Å
117K97.3Very high97.9Very high85 Ų8524.9 Ų24.937%0.3713%0.129SC..Hα-helixtrans-83.4-35.7-175.5-173.6-170.2176.3-58.70112.6L77 E84 L113L77-K117 HydrophobicContact CD1-CD 4.19Å; E84-K117 WeakPolarHBondContact OE1-CE 3.34Å; E84-K117 IonicContact OE1-NZ 3.2Å; E84-K117 PolarHBondContact OE1-NZ 3.48Å; E84-K117 IonicContact OE2-NZ 3.65Å; L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 PolarHBondContact O-N 3.21Å
118N96.9Very high97.8Very high42 Ų4226 Ų2623%0.22514%0.135CC..Hα-helixtrans-125.82.5-168.4-57.188.8000114E84 G114 W120E84-N118 VanDerWaalsContact CD-ND2 3.31Å; E84-N118 PolarHBondContact OE1-ND2 2.84Å; E84-N118 PolarHBondContact OE1-OD1 3.23Å; G114-N118 CarbonylContact O-C 3.52Å; G114-N118 WeakPolarHBondContact O-CA 3.24Å; G114-N118 VanDerWaalsContact O-CB 3.31Å; G114-N118 WeakPolarHBondContact O-CB 3.32Å; G114-N118 PolarHBondContact O-N 2.95Å; N118-W120 HydrophobicContact CB-CD2 3.65Å; N118-W120 VanDerWaalsContact CB-CE2 3.45Å; N118-W120 HydrophobicContact CB-CE3 4.37Å; N118-W120 HydrophobicContact CB-CG 3.77Å; N118-W120 HydrophobicContact CB-CZ2 4.03Å; N118-W120 PolarHBondContact O-N 2.8Å; N118-W120 VanDerWaalsContact O-N 3.13Å
119S96.9Very high97.7Very high85 Ų8528.8 Ų28.859%0.59415%0.152SC*.  trans57.623.5-176.1-55.40000113.9P96 G114 S115P96-S119 WeakPolarHBondContact CB-O 3.38Å; G114-S119 PolarHBondContact O-N 2.91Å; S115-S119 WeakPolarHBondContact O-CA 3.3Å; S115-S119 PolarHBondContact O-N 2.82Å
120W97.7Very high97.6Very high19 Ų1934 Ų347%0.07217%0.171CC..  trans-66.7148.2179-66.7-17.2000112.4I80 L83 E84 L87 A97 I99 S115 N118 F122I80-W120 HydrophobicContact CD1-CZ3 4.12Å; I80-W120 HydrophobicContact CG2-CH2 4.2Å; I80-W120 HydrophobicContact CG2-CZ3 4.01Å; L83-W120 HydrophobicContact CB-CH2 4.17Å; L83-W120 HydrophobicContact CD2-CH2 4.24Å; L83-W120 HydrophobicContact CD2-CZ3 3.95Å; L83-W120 HydrophobicContact CG-CH2 4.35Å; E84-W120 HydrophobicContact CB-CZ2 4.39Å; E84-W120 HydrophobicContact CG-CH2 3.64Å; E84-W120 HydrophobicContact CG-CZ2 3.56Å; L87-W120 HydrophobicContact CD1-CH2 3.92Å; L87-W120 HydrophobicContact CD1-CZ2 3.4Å; L87-W120 VanDerWaalsContact CD1-CZ2 3.4Å; A97-W120 HydrophobicContact CB-CG 4.26Å; I99-W120 HydrophobicContact CD1-CB 4.13Å; I99-W120 HydrophobicContact CD1-CD2 3.35Å; I99-W120 HydrophobicContact CD1-CE3 3.14Å; I99-W120 HydrophobicContact CD1-CG 3.83Å; I99-W120 HydrophobicContact CD1-CH2 4.25Å; I99-W120 HydrophobicContact CD1-CZ2 4.44Å; I99-W120 HydrophobicContact CD1-CZ3 3.63Å; S115-W120 PolarHBondContact OG-O 3.43Å; N118-W120 HydrophobicContact CB-CD2 3.65Å; N118-W120 VanDerWaalsContact CB-CE2 3.45Å; N118-W120 HydrophobicContact CB-CE3 4.37Å; N118-W120 HydrophobicContact CB-CG 3.77Å; N118-W120 HydrophobicContact CB-CZ2 4.03Å; N118-W120 PolarHBondContact O-N 2.8Å; N118-W120 VanDerWaalsContact O-N 3.13Å; W120-F122 HydrophobicContact CB-CD2 4.06Å; W120-F122 HydrophobicContact CB-CE2 3.67Å; W120-F122 HydrophobicContact CD2-CE2 4.48Å; W120-F122 AromaticContact CE3-CE2 3.82Å; W120-F122 HydrophobicContact CE3-CE2 3.82Å; W120-F122 AromaticContact CE3-CZ 3.77Å; W120-F122 HydrophobicContact CE3-CZ 3.77Å; W120-F122 HydrophobicContact CG-CE2 4.5Å; W120-F122 HydrophobicContact CZ3-CZ 4.43Å
121Q97.6Very high97.5Very high64 Ų6433.8 Ų33.830%0.29917%0.17SC..EExtended strand (participates in β ladder)trans-91125.4169.6-71.9-74-17.500109.1P96 A97 S98 I99 K146 S147P96-Q121 HydrophobicContact CB-CG 4.29Å; P96-Q121 HydrophobicContact CG-CG 3.46Å; P96-Q121 VanDerWaalsContact CG-CG 3.46Å; A97-Q121 PolarHBondContact O-N 3.46Å; S98-Q121 CarbonylContact C-O 3.54Å; S98-Q121 WeakPolarHBondContact CA-O 3.41Å; I99-Q121 PolarHBondContact N-O 2.85Å; Q121-K146 PolarHBondContact NE2-O 2.88Å; Q121-K146 PolarHBondContact OE1-O 3.5Å; Q121-S147 CarbonylContact C-O 3.32Å; Q121-S147 WeakPolarHBondContact CA-O 3.39Å; Q121-S147 PolarHBondContact OE1-O 2.89Å
122F98.3Very high97.5Very high2 Ų235.7 Ų35.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-114135-180-84.6-93.9000112I99 D101 P111 W120 S147 I148 K149 M177I99-F122 HydrophobicContact CB-CD1 4Å; I99-F122 HydrophobicContact CB-CE1 3.81Å; I99-F122 HydrophobicContact CB-CZ 4.17Å; I99-F122 HydrophobicContact CD1-CE1 4.46Å; I99-F122 HydrophobicContact CD1-CE2 4.37Å; I99-F122 HydrophobicContact CD1-CZ 4Å; I99-F122 HydrophobicContact CG2-CD1 3.99Å; I99-F122 HydrophobicContact CG2-CE1 3.5Å; I99-F122 HydrophobicContact CG2-CZ 4.11Å; I99-F122 CarbonylContact O-C 3.55Å; I99-F122 VanDerWaalsContact O-CA 3.31Å; I99-F122 WeakPolarHBondContact O-CA 3.49Å; D101-F122 HydrophobicContact CB-CD1 4.29Å; D101-F122 HydrophobicContact CB-CE1 4.48Å; P111-F122 HydrophobicContact CB-CB 3.84Å; P111-F122 HydrophobicContact CB-CD1 3.98Å; P111-F122 HydrophobicContact CB-CD2 4.2Å; P111-F122 HydrophobicContact CB-CG 3.75Å; P111-F122 HydrophobicContact CG-CB 4.2Å; P111-F122 HydrophobicContact CG-CD1 3.79Å; P111-F122 HydrophobicContact CG-CE1 4.35Å; P111-F122 HydrophobicContact CG-CG 4.06Å; W120-F122 HydrophobicContact CB-CD2 4.06Å; W120-F122 HydrophobicContact CB-CE2 3.67Å; W120-F122 HydrophobicContact CD2-CE2 4.48Å; W120-F122 AromaticContact CE3-CE2 3.82Å; W120-F122 HydrophobicContact CE3-CE2 3.82Å; W120-F122 AromaticContact CE3-CZ 3.77Å; W120-F122 HydrophobicContact CE3-CZ 3.77Å; W120-F122 HydrophobicContact CG-CE2 4.5Å; W120-F122 HydrophobicContact CZ3-CZ 4.43Å; F122-S147 PolarHBondContact N-O 3.23Å; F122-I148 HydrophobicContact CB-CG1 4.28Å; F122-I148 HydrophobicContact CB-CG2 4.32Å; F122-I148 WeakPolarHBondContact O-CA 3.49Å; F122-K149 PolarHBondContact O-N 3.17Å; F122-M177 HydrophobicContact CE1-SD 3.88Å; F122-M177 HydrophobicContact CZ-SD 4.44Å
123F97.4Very high97.5Very high30 Ų3043.3 Ų43.313%0.13221%0.208CC..EExtended strand (participates in β ladder)trans-99.6128.1154.9-57.5-81.4000107.4I99 L100 D101 K149 F151 V163 L173I99-F123 PolarHBondContact O-N 3.17Å; L100-F123 CarbonylContact C-O 3.45Å; L100-F123 VanDerWaalsContact CA-O 3.27Å; L100-F123 WeakPolarHBondContact CA-O 3.43Å; L100-F123 HydrophobicContact CD1-CB 4.13Å; L100-F123 VanDerWaalsContact CD1-O 3.3Å; L100-F123 WeakPolarHBondContact CD1-O 3.34Å; D101-F123 PolarHBondContact N-O 3.07Å; F123-K149 CarbonylContact C-O 3.57Å; F123-K149 WeakPolarHBondContact CA-O 3.28Å; F123-K149 HydrophobicContact CD1-CB 4.19Å; F123-K149 HydrophobicContact CD1-CD 4.28Å; F123-K149 HydrophobicContact CE1-CD 4.21Å; F123-F151 HydrophobicContact CB-CE2 4.27Å; F123-F151 AromaticContact CD1-CE2 3.83Å; F123-F151 HydrophobicContact CD1-CE2 3.83Å; F123-F151 HydrophobicContact CD1-CZ 4.23Å; F123-V163 HydrophobicContact CB-CG1 4.25Å; F123-V163 HydrophobicContact CB-CG2 3.89Å; F123-V163 HydrophobicContact CD1-CG1 4.27Å; F123-V163 HydrophobicContact CD2-CG1 4.18Å; F123-V163 HydrophobicContact CG-CG1 3.96Å; F123-V163 HydrophobicContact CG-CG2 4.41Å; F123-L173 HydrophobicContact CD2-CD2 3.52Å; F123-L173 HydrophobicContact CE2-CD2 3.74Å
124G97.9Very high97.5Very high0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-119.8138.5179.200000110.9D101 V104 K149 L150 F151D101-G124 WeakPolarHBondContact O-CA 3.26Å; V104-G124 VanDerWaalsContact CG1-CA 3.49Å; G124-K149 PolarHBondContact N-O 3.04Å; G124-L150 CarbonylContact O-C 3.59Å; G124-L150 WeakPolarHBondContact O-CA 3.3Å; G124-F151 PolarHBondContact O-N 2.65Å
125T97.8Very high97.5Very high1 Ų144.8 Ų44.81%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-120.9142.7173.755.80000111.2L100 D101 G103 V104 F151 I153 S159L100-T125 HydrophobicContact CD1-CG2 4.13Å; D101-T125 PolarHBondContact O-N 3.39Å; G103-T125 VanDerWaalsContact CA-O 3.26Å; G103-T125 WeakPolarHBondContact CA-O 3.28Å; G103-T125 PolarHBondContact N-O 2.77Å; V104-T125 PolarHBondContact N-O 3.09Å; V104-T125 VanDerWaalsContact N-O 3.11Å; T125-F151 WeakPolarHBondContact CA-O 3.49Å; T125-F151 HydrophobicContact CG2-CB 4.35Å; T125-I153 HydrophobicContact CG2-CG2 4.26Å; T125-S159 WeakPolarHBondContact OG1-CB 3.36Å; T125-S159 PolarHBondContact OG1-OG 3.38Å
126E97.7Very high97.5Very high11 Ų1149.2 Ų49.25%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-147.7137.9176.3-18054-103.300110.1V104 G105 D128 N131 F132 F151 H152 I153V104-E126 HydrophobicContact CG2-CB 3.89Å; G105-E126 VanDerWaalsContact CA-OE2 3.29Å; G105-E126 WeakPolarHBondContact CA-OE2 3.31Å; G105-E126 PolarHBondContact N-OE2 3.43Å; E126-D128 WeakPolarHBondContact CG-O 3.26Å; E126-D128 PolarHBondContact OE1-N 3.31Å; E126-N131 HydrophobicContact CG-CB 3.54Å; E126-F132 HydrophobicContact CB-CB 4.17Å; E126-F132 HydrophobicContact CB-CD2 4.42Å; E126-F132 HydrophobicContact CG-CB 4.06Å; E126-F151 PolarHBondContact N-O 2.92Å; E126-F151 VanDerWaalsContact N-O 3.14Å; E126-H152 WeakPolarHBondContact O-CA 3.45Å; E126-H152 PolarHBondContact O-CD2 2.67Å; E126-I153 PolarHBondContact O-N 3.03Å
127S95.7Very high97.5Very high47 Ų4749.2 Ų49.233%0.32924%0.235SC..SBendtrans-97.9-27.6179.5550000113.5T129 H152 I153S127-T129 PolarHBondContact O-N 3.19Å; S127-H152 PolarHBondContact O-NE2 2.97Å; S127-I153 VanDerWaalsContact CA-O 3.27Å; S127-I153 WeakPolarHBondContact CA-O 3.16Å
128D95.8Very high97.6Very high33 Ų3345.3 Ų45.318%0.17622%0.219CC..SBendtrans-79.1121.5174173.452.1000110.9R68 E126 R130 N131 F132 H212R68-D128 IonicContact CZ-OD2 3.16Å; R68-D128 IonicContact NE-OD2 2.94Å; R68-D128 PolarHBondContact NE-OD2 3.12Å; R68-D128 IonicContact NH2-OD1 2.81Å; R68-D128 IonicContact NH2-OD2 3.27Å; R68-D128 PolarHBondContact NH2-OD2 3.44Å; E126-D128 WeakPolarHBondContact CG-O 3.26Å; E126-D128 PolarHBondContact OE1-N 3.31Å; D128-R130 VanDerWaalsContact C-N 3.26Å; D128-R130 PolarHBondContact O-N 3.36Å; D128-N131 HydrophobicContact CB-CB 3.98Å; D128-N131 PolarHBondContact O-N 3.41Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 VanDerWaalsContact OD2-CG 3.24Å; D128-N131 PolarHBondContact OD2-N 2.95Å; D128-N131 PolarHBondContact OD2-OD1 2.87Å; D128-F132 WeakPolarHBondContact O-CB 3.34Å; D128-F132 PolarHBondContact O-N 3.05Å; D128-H212 WeakPolarHBondContact CB-NE2 3.26Å; D128-H212 IonicContact OD1-CE1 3.26Å; D128-H212 IonicContact OD1-NE2 2.73Å; D128-H212 IonicContact OD2-CE1 3.2Å; D128-H212 IonicContact OD2-NE2 2.76Å; D128-H212 PolarHBondContact OD2-NE2 2.87Å
129T96.7Very high97.7Very high58 Ų5843.4 Ų43.436%0.35621%0.209SC..Hα-helixtrans-59.9-35.1-177.5-57.90000112.7S127 R133 H152S127-T129 PolarHBondContact O-N 3.19Å; T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 2.79Å; T129-R133 VanDerWaalsContact O-N 3.12Å; T129-H152 WeakPolarHBondContact CA-NE2 3.41Å; T129-H152 PolarHBondContact OG1-CE1 3.32Å; T129-H152 VanDerWaalsContact OG1-CE1 3.31Å; T129-H152 PolarHBondContact OG1-NE2 3.17Å
130R96.8Very high97.7Very high115 Ų11543.2 Ų43.243%0.43420%0.198SC..Hα-helixtrans-72.4-46.9178174.3167173.3133.2-5.1111.2D67 D128 F132 R133 L134D67-R130 IonicContact OD1-CZ 2.72Å; D67-R130 IonicContact OD1-NE 3.05Å; D67-R130 IonicContact OD1-NH2 2.73Å; D67-R130 PolarHBondContact OD1-NH2 2.69Å; D67-R130 IonicContact OD2-CZ 3.13Å; D67-R130 IonicContact OD2-NE 3.04Å; D67-R130 PolarHBondContact OD2-NE 2.77Å; D67-R130 IonicContact OD2-NH1 3.82Å; D67-R130 IonicContact OD2-NH2 2.74Å; D67-R130 PolarHBondContact OD2-NH2 3.32Å; D128-R130 VanDerWaalsContact C-N 3.26Å; D128-R130 PolarHBondContact O-N 3.36Å; R130-F132 VanDerWaalsContact C-N 3.28Å; R130-F132 PolarHBondContact O-N 3.36Å; R130-R133 PolarHBondContact O-N 3.13Å; R130-L134 HydrophobicContact CG-CD1 3.72Å; R130-L134 HydrophobicContact CG-CG 4.47Å; R130-L134 WeakPolarHBondContact O-CD1 3.38Å; R130-L134 WeakPolarHBondContact O-CG 3.45Å; R130-L134 PolarHBondContact O-N 3.3Å
131N97.3Very high97.8Very high1 Ų146.3 Ų46.31%0.00521%0.212CC..Hα-helixtrans-55.3-44.6172.7-78.8-0.5000111.7R68 E126 D128 R133 L134 A135 E213R68-N131 WeakPolarHBondContact CD-OD1 3.35Å; R68-N131 PolarHBondContact NE-OD1 2.59Å; E126-N131 HydrophobicContact CG-CB 3.54Å; D128-N131 HydrophobicContact CB-CB 3.98Å; D128-N131 PolarHBondContact O-N 3.41Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 VanDerWaalsContact OD2-CG 3.24Å; D128-N131 PolarHBondContact OD2-N 2.95Å; D128-N131 PolarHBondContact OD2-OD1 2.87Å; N131-R133 PolarHBondContact O-N 3.48Å; N131-L134 PolarHBondContact O-N 3.45Å; N131-A135 WeakPolarHBondContact O-CB 3.22Å; N131-A135 PolarHBondContact O-N 3.42Å; N131-E213 PolarHBondContact ND2-OE1 3.32Å
132F98.1Very high97.8Very high41 Ų4144.5 Ų44.518%0.1821%0.205CC..Hα-helixtrans-60.2-45.5178.8176.7-100.6000112.5E126 D128 R130 K136 L150 F151 H152E126-F132 HydrophobicContact CB-CB 4.17Å; E126-F132 HydrophobicContact CB-CD2 4.42Å; E126-F132 HydrophobicContact CG-CB 4.06Å; D128-F132 WeakPolarHBondContact O-CB 3.34Å; D128-F132 PolarHBondContact O-N 3.05Å; R130-F132 VanDerWaalsContact C-N 3.28Å; R130-F132 PolarHBondContact O-N 3.36Å; F132-K136 WeakPolarHBondContact O-CB 3.4Å; F132-K136 PolarHBondContact O-N 3.15Å; F132-L150 HydrophobicContact CD2-CB 4.4Å; F132-L150 HydrophobicContact CE2-CB 3.73Å; F132-F151 VanDerWaalsContact CE2-C 3.4Å; F132-H152 HydrophobicContact CD1-CB 3.85Å; F132-H152 HydrophobicContact CD2-CB 3.81Å; F132-H152 HydrophobicContact CE1-CB 3.9Å; F132-H152 HydrophobicContact CE2-CB 3.87Å; F132-H152 HydrophobicContact CG-CB 3.8Å; F132-H152 AromaticContact CG-CD2 3.94Å; F132-H152 HydrophobicContact CZ-CB 3.91Å
133R98.3Very high97.8Very high159 Ų15951 Ų5160%0.624%0.24SC*.Hα-helixtrans-61.9-49.5177.3-73.1175.1-173.1158.93.2111.9T129 R130 N131 A135 K136 E137T129-R133 WeakPolarHBondContact O-CG 3.23Å; T129-R133 PolarHBondContact O-N 2.79Å; T129-R133 VanDerWaalsContact O-N 3.12Å; R130-R133 PolarHBondContact O-N 3.13Å; N131-R133 PolarHBondContact O-N 3.48Å; R133-A135 PolarHBondContact O-N 3.19Å; R133-K136 WeakPolarHBondContact O-CB 3.49Å; R133-K136 PolarHBondContact O-N 3.24Å; R133-K136 VanDerWaalsContact O-N 3.15Å; R133-E137 WeakPolarHBondContact O-CG 3.43Å; R133-E137 PolarHBondContact O-N 3.5Å
134L98.1Very high97.8Very high32 Ų3250.7 Ų50.717%0.16824%0.239CC..Hα-helixtrans-64.6-39.1179.9-68163.4000112.4P65 A106 R130 N131 K136 E137 N138P65-L134 HydrophobicContact CG-CD1 3.71Å; A106-L134 HydrophobicContact CB-CB 3.94Å; A106-L134 HydrophobicContact CB-CD1 3.77Å; A106-L134 CarbonylContact O-C 3.52Å; R130-L134 HydrophobicContact CG-CD1 3.72Å; R130-L134 HydrophobicContact CG-CG 4.47Å; R130-L134 WeakPolarHBondContact O-CD1 3.38Å; R130-L134 WeakPolarHBondContact O-CG 3.45Å; R130-L134 PolarHBondContact O-N 3.3Å; N131-L134 PolarHBondContact O-N 3.45Å; L134-K136 VanDerWaalsContact C-N 3.28Å; L134-K136 PolarHBondContact O-N 3.23Å; L134-E137 PolarHBondContact O-N 3.04Å; L134-N138 WeakPolarHBondContact O-CB 3.34Å; L134-N138 PolarHBondContact O-N 2.92Å; L134-N138 PolarHBondContact O-ND2 3.47Å
135A98.5Very high97.8Very high0 Ų054.8 Ų54.80%026%0.261CS..Hα-helixtrans-60.2-42.6174.200000110.8V104 G105 A106 C108 N131 R133 N138 V139 L150V104-A135 HydrophobicContact CG2-CB 4.04Å; G105-A135 WeakPolarHBondContact O-CB 3.22Å; A106-A135 WeakPolarHBondContact O-CA 3.44Å; A106-A135 PolarHBondContact O-N 3.31Å; C108-A135 HydrophobicContact CB-CB 3.91Å; N131-A135 WeakPolarHBondContact O-CB 3.22Å; N131-A135 PolarHBondContact O-N 3.42Å; R133-A135 PolarHBondContact O-N 3.19Å; A135-N138 PolarHBondContact O-N 3.37Å; A135-V139 VanDerWaalsContact O-CG2 3.28Å; A135-V139 WeakPolarHBondContact O-CG2 3.5Å; A135-V139 PolarHBondContact O-N 3.23Å; A135-L150 HydrophobicContact CB-CD1 3.78Å
136K98.5Very high97.7Very high99 Ų9963.9 Ų63.943%0.4330%0.3SS..Hα-helixtrans-64-46.5176.7-163.9-172.6-177.4-116.80111.8F132 R133 L134 N138 V139 E140 L150F132-K136 WeakPolarHBondContact O-CB 3.4Å; F132-K136 PolarHBondContact O-N 3.15Å; R133-K136 WeakPolarHBondContact O-CB 3.49Å; R133-K136 PolarHBondContact O-N 3.24Å; R133-K136 VanDerWaalsContact O-N 3.15Å; L134-K136 VanDerWaalsContact C-N 3.28Å; L134-K136 PolarHBondContact O-N 3.23Å; K136-N138 VanDerWaalsContact C-N 3.33Å; K136-N138 PolarHBondContact O-N 3.3Å; K136-V139 PolarHBondContact O-N 2.79Å; K136-E140 WeakPolarHBondContact CE-OE1 3.38Å; K136-E140 IonicContact NZ-OE1 2.69Å; K136-E140 PolarHBondContact NZ-OE1 2.99Å; K136-E140 WeakPolarHBondContact O-CB 3.42Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 3.24Å; K136-L150 HydrophobicContact CB-CD1 4.36Å
137E98.4Very high97.7Very high109 Ų10964.6 Ų64.651%0.50931%0.307SS..Hα-helixtrans-57.6-45175.4-71.3167.2-162.800111.4R133 L134 V139 E140 K141R133-E137 WeakPolarHBondContact O-CG 3.43Å; R133-E137 PolarHBondContact O-N 3.5Å; L134-E137 PolarHBondContact O-N 3.04Å; E137-V139 PolarHBondContact O-N 3.01Å; E137-E140 PolarHBondContact O-N 3.25Å; E137-K141 VanDerWaalsContact O-CB 3.26Å; E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 PolarHBondContact O-N 3.4Å
138N98.6Very high97.9Very high4 Ų462.8 Ų62.82%0.02129%0.293CS..Hα-helixtrans-64.1-37.8176.9-82-41000112.9V62 D63 A106 L112 L134 A135 K136 N142V62-N138 HydrophobicContact CG1-CB 4.44Å; D63-N138 PolarHBondContact N-OD1 3.2Å; D63-N138 PolarHBondContact O-ND2 3.42Å; D63-N138 VanDerWaalsContact O-ND2 3.17Å; A106-N138 PolarHBondContact O-ND2 3.46Å; L112-N138 HydrophobicContact CD1-CB 4.29Å; L134-N138 WeakPolarHBondContact O-CB 3.34Å; L134-N138 PolarHBondContact O-N 2.92Å; L134-N138 PolarHBondContact O-ND2 3.47Å; A135-N138 PolarHBondContact O-N 3.37Å; K136-N138 VanDerWaalsContact C-N 3.33Å; K136-N138 PolarHBondContact O-N 3.3Å; N138-N142 PolarHBondContact O-N 3.19Å; N138-N142 PolarHBondContact O-ND2 2.86Å
139V98.7Very high97.9Very high2 Ų266.3 Ų66.31%0.01231%0.307CS..Hα-helixtrans-66.7-44.1174.1170.70000111.2C108 L112 A135 K136 E137 N142 N143 L144 I148 L150C108-V139 HydrophobicContact CB-CG2 4.29Å; L112-V139 HydrophobicContact CD2-CG2 4.2Å; A135-V139 VanDerWaalsContact O-CG2 3.28Å; A135-V139 WeakPolarHBondContact O-CG2 3.5Å; A135-V139 PolarHBondContact O-N 3.23Å; K136-V139 PolarHBondContact O-N 2.79Å; E137-V139 PolarHBondContact O-N 3.01Å; V139-N142 PolarHBondContact O-N 3.13Å; V139-N143 PolarHBondContact O-N 3.08Å; V139-L144 HydrophobicContact CG1-CB 4.31Å; V139-L144 PolarHBondContact O-N 3.11Å; V139-L144 VanDerWaalsContact O-N 3.1Å; V139-I148 HydrophobicContact CG1-CB 3.99Å; V139-I148 HydrophobicContact CG1-CD1 4.38Å; V139-I148 HydrophobicContact CG1-CG2 4.39Å; V139-I148 HydrophobicContact CG2-CB 4.22Å; V139-I148 HydrophobicContact CG2-CD1 3.98Å; V139-I148 HydrophobicContact CG2-CG2 3.85Å; V139-L150 HydrophobicContact CG2-CD1 4.19Å
140E98.3Very high98Very high81 Ų8164.9 Ų64.938%0.37930%0.297SS..Hα-helixtrans-62.8-46.8178.2-73.6173.2-175.300111.3K136 E137 N142 N143 N145K136-E140 WeakPolarHBondContact CE-OE1 3.38Å; K136-E140 IonicContact NZ-OE1 2.69Å; K136-E140 PolarHBondContact NZ-OE1 2.99Å; K136-E140 WeakPolarHBondContact O-CB 3.42Å; K136-E140 WeakPolarHBondContact O-CG 3.36Å; K136-E140 PolarHBondContact O-N 3.24Å; E137-E140 PolarHBondContact O-N 3.25Å; E140-N142 PolarHBondContact O-N 3.03Å; E140-N143 PolarHBondContact O-N 3.23Å; E140-N145 VanDerWaalsContact CG-OD1 3.29Å; E140-N145 WeakPolarHBondContact CG-OD1 3.35Å
141K98.1Very high98Very high83 Ų8361.2 Ų61.236%0.36128%0.284SS..Hα-helixtrans-56.7-32.3178.3-167.9177.3-169.3-1670113.4D61 D63 E137D61-K141 HydrophobicContact CB-CD 4.49Å; D61-K141 IonicContact OD1-NZ 2.79Å; D61-K141 PolarHBondContact OD1-NZ 3.43Å; D61-K141 WeakPolarHBondContact OD2-CE 3.47Å; D61-K141 IonicContact OD2-NZ 2.83Å; D61-K141 PolarHBondContact OD2-NZ 3.32Å; D63-K141 VanDerWaalsContact CG-NZ 3.32Å; D63-K141 IonicContact OD1-NZ 3.85Å; D63-K141 PolarHBondContact OD1-NZ 3.14Å; D63-K141 IonicContact OD2-NZ 3.71Å; D63-K141 PolarHBondContact OD2-NZ 3.39Å; E137-K141 VanDerWaalsContact O-CB 3.26Å; E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 PolarHBondContact O-N 3.4Å
142N98.5Very high98Very high26 Ų2665.2 Ų65.214%0.13930%0.303CS..THydrogen-bonded Turntrans-97.36.5-179.9-70.4-79.7000113.9L60 D61 L112 N138 V139 E140 L144L60-N142 VanDerWaalsContact CA-OD1 3.31Å; L60-N142 WeakPolarHBondContact CA-OD1 3.43Å; L60-N142 HydrophobicContact CD2-CB 4.08Å; D61-N142 PolarHBondContact N-OD1 3.32Å; D61-N142 PolarHBondContact O-ND2 3.26Å; L112-N142 HydrophobicContact CD2-CB 4.32Å; N138-N142 PolarHBondContact O-N 3.19Å; N138-N142 PolarHBondContact O-ND2 2.86Å; V139-N142 PolarHBondContact O-N 3.13Å; E140-N142 PolarHBondContact O-N 3.03Å; N142-L144 VanDerWaalsContact C-N 3.26Å; N142-L144 HydrophobicContact CB-CD1 4.14Å; N142-L144 HydrophobicContact CB-CG 4.31Å; N142-L144 PolarHBondContact O-N 3.42Å
143N98.3Very high97.9Very high140 Ų14064.2 Ų64.275%0.74930%0.299SS*.THydrogen-bonded Turntrans5832.1-179.3-58.3-65.7000114.4V139 E140V139-N143 PolarHBondContact O-N 3.08Å; E140-N143 PolarHBondContact O-N 3.23Å
144L98.2Very high97.6Very high22 Ų2261.4 Ų61.412%0.11530%0.3CS..  trans-101.312.6-176-69.6173.2000114.1L60 L112 V139 N142 K146 S147 I148L60-L144 HydrophobicContact CD2-CD1 4.06Å; L112-L144 HydrophobicContact CD2-CD1 3.68Å; V139-L144 HydrophobicContact CG1-CB 4.31Å; V139-L144 PolarHBondContact O-N 3.11Å; V139-L144 VanDerWaalsContact O-N 3.1Å; N142-L144 VanDerWaalsContact C-N 3.26Å; N142-L144 HydrophobicContact CB-CD1 4.14Å; N142-L144 HydrophobicContact CB-CG 4.31Å; N142-L144 PolarHBondContact O-N 3.42Å; L144-K146 PolarHBondContact O-N 3.2Å; L144-K146 VanDerWaalsContact O-N 3.08Å; L144-S147 PolarHBondContact O-N 2.7Å; L144-I148 HydrophobicContact CB-CD1 3.73Å; L144-I148 HydrophobicContact CB-CG1 4.27Å; L144-I148 HydrophobicContact CD1-CD1 4.11Å; L144-I148 PolarHBondContact O-N 3.35Å
145N97.1Very high96.9Very high86 Ų8666.7 Ų66.746%0.4632%0.324SS..THydrogen-bonded Turntrans-56.4-26.4179.3-61.3-65.9000114.5E140 S147E140-N145 VanDerWaalsContact CG-OD1 3.29Å; E140-N145 WeakPolarHBondContact CG-OD1 3.35Å; N145-S147 VanDerWaalsContact C-N 3.34Å
146K96.9Very high96.2Very high192 Ų19272.4 Ų72.484%0.83535%0.354SS*.THydrogen-bonded Turntrans-77.2-22176.8-68-176179.81790113.2Q121 L144Q121-K146 PolarHBondContact NE2-O 2.88Å; Q121-K146 PolarHBondContact OE1-O 3.5Å; L144-K146 PolarHBondContact O-N 3.2Å; L144-K146 VanDerWaalsContact O-N 3.08Å
147S97.5Very high95.9Very high27 Ų2769.9 Ų69.919%0.18935%0.347CS..THydrogen-bonded Turntrans-108.2-16.1-176.4-60.40000112.7Q121 F122 L144 N145Q121-S147 CarbonylContact C-O 3.32Å; Q121-S147 WeakPolarHBondContact CA-O 3.39Å; Q121-S147 PolarHBondContact OE1-O 2.89Å; F122-S147 PolarHBondContact N-O 3.23Å; L144-S147 PolarHBondContact O-N 2.7Å; N145-S147 VanDerWaalsContact C-N 3.34Å
148I98.3Very high95.7Very high8 Ų865.1 Ų65.14%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-129.9115.3-175.3-54.7171.3000109.2P111 L112 S115 F122 V139 L144 L150P111-I148 HydrophobicContact CB-CD1 3.7Å; P111-I148 HydrophobicContact CB-CG1 3.97Å; P111-I148 HydrophobicContact CB-CG2 3.78Å; L112-I148 HydrophobicContact CD2-CD1 3.94Å; L112-I148 HydrophobicContact CG-CD1 4.5Å; S115-I148 WeakPolarHBondContact OG-CG1 3.39Å; F122-I148 HydrophobicContact CB-CG1 4.28Å; F122-I148 HydrophobicContact CB-CG2 4.32Å; F122-I148 WeakPolarHBondContact O-CA 3.49Å; V139-I148 HydrophobicContact CG1-CB 3.99Å; V139-I148 HydrophobicContact CG1-CD1 4.38Å; V139-I148 HydrophobicContact CG1-CG2 4.39Å; V139-I148 HydrophobicContact CG2-CB 4.22Å; V139-I148 HydrophobicContact CG2-CD1 3.98Å; V139-I148 HydrophobicContact CG2-CG2 3.85Å; L144-I148 HydrophobicContact CB-CD1 3.73Å; L144-I148 HydrophobicContact CB-CG1 4.27Å; L144-I148 HydrophobicContact CD1-CD1 4.11Å; L144-I148 PolarHBondContact O-N 3.35Å; I148-L150 HydrophobicContact CG2-CD2 3.76Å; I148-L150 HydrophobicContact CG2-CG 4.17Å
149K97.2Very high95.6Very high107 Ų10765.4 Ų65.447%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-109116.5174.5-173.5176.5-177.4-176.90110F122 F123 G124 F151F122-K149 PolarHBondContact O-N 3.17Å; F123-K149 CarbonylContact C-O 3.57Å; F123-K149 WeakPolarHBondContact CA-O 3.28Å; F123-K149 HydrophobicContact CD1-CB 4.19Å; F123-K149 HydrophobicContact CD1-CD 4.28Å; F123-K149 HydrophobicContact CE1-CD 4.21Å; G124-K149 PolarHBondContact N-O 3.04Å; K149-F151 HydrophobicContact CD-CE1 4.28Å; K149-F151 HydrophobicContact CD-CE2 4.17Å; K149-F151 HydrophobicContact CD-CZ 3.61Å; K149-F151 VanDerWaalsContact CE-CZ 3.42Å; K149-F151 HydrophobicContact CG-CE2 4.03Å; K149-F151 HydrophobicContact CG-CZ 3.89Å
150L98Very high95.5Very high29 Ų2965.3 Ų65.315%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-100.5143.2-179.5-57.6-178000111.9V104 G124 F132 A135 K136 V139 I148V104-L150 HydrophobicContact CG1-CD2 4.21Å; V104-L150 HydrophobicContact CG2-CD2 4.3Å; G124-L150 CarbonylContact O-C 3.59Å; G124-L150 WeakPolarHBondContact O-CA 3.3Å; F132-L150 HydrophobicContact CD2-CB 4.4Å; F132-L150 HydrophobicContact CE2-CB 3.73Å; A135-L150 HydrophobicContact CB-CD1 3.78Å; K136-L150 HydrophobicContact CB-CD1 4.36Å; V139-L150 HydrophobicContact CG2-CD1 4.19Å; I148-L150 HydrophobicContact CG2-CD2 3.76Å; I148-L150 HydrophobicContact CG2-CG 4.17Å
151F97Very high95.3Very high37 Ų3764.4 Ų64.416%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-125.7130.7173.1-53-93.7000110.6F123 G124 T125 E126 F132 K149 I153 V162 V163F123-F151 HydrophobicContact CB-CE2 4.27Å; F123-F151 AromaticContact CD1-CE2 3.83Å; F123-F151 HydrophobicContact CD1-CE2 3.83Å; F123-F151 HydrophobicContact CD1-CZ 4.23Å; G124-F151 PolarHBondContact O-N 2.65Å; T125-F151 WeakPolarHBondContact CA-O 3.49Å; T125-F151 HydrophobicContact CG2-CB 4.35Å; E126-F151 PolarHBondContact N-O 2.92Å; E126-F151 VanDerWaalsContact N-O 3.14Å; F132-F151 VanDerWaalsContact CE2-C 3.4Å; K149-F151 HydrophobicContact CD-CE1 4.28Å; K149-F151 HydrophobicContact CD-CE2 4.17Å; K149-F151 HydrophobicContact CD-CZ 3.61Å; K149-F151 VanDerWaalsContact CE-CZ 3.42Å; K149-F151 HydrophobicContact CG-CE2 4.03Å; K149-F151 HydrophobicContact CG-CZ 3.89Å; F151-I153 HydrophobicContact CB-CG2 4.43Å; F151-V162 HydrophobicContact CB-CG1 3.83Å; F151-V162 HydrophobicContact CD1-CG1 3.85Å; F151-V162 HydrophobicContact CG-CG1 3.83Å; F151-V163 HydrophobicContact CD2-CG2 4.42Å; F151-V163 HydrophobicContact CE2-CG2 4.13Å
152H97.3Very high95Very high86 Ų8662.3 Ų62.340%0.39832%0.32SS..EExtended strand (participates in β ladder)trans-84.3128.6168.6-175.1-119.6000108.7E126 S127 T129 F132E126-H152 WeakPolarHBondContact O-CA 3.45Å; E126-H152 PolarHBondContact O-CD2 2.67Å; S127-H152 PolarHBondContact O-NE2 2.97Å; T129-H152 WeakPolarHBondContact CA-NE2 3.41Å; T129-H152 PolarHBondContact OG1-CE1 3.32Å; T129-H152 VanDerWaalsContact OG1-CE1 3.31Å; T129-H152 PolarHBondContact OG1-NE2 3.17Å; F132-H152 HydrophobicContact CD1-CB 3.85Å; F132-H152 HydrophobicContact CD2-CB 3.81Å; F132-H152 HydrophobicContact CE1-CB 3.9Å; F132-H152 HydrophobicContact CE2-CB 3.87Å; F132-H152 HydrophobicContact CG-CB 3.8Å; F132-H152 AromaticContact CG-CD2 3.94Å; F132-H152 HydrophobicContact CZ-CB 3.91Å
153I95.8Very high94.7Very high20 Ų2061.1 Ų61.110%0.10331%0.313CS..  trans-125154.8-176.565.3169.2000110.6T125 E126 S127 F151 V162T125-I153 HydrophobicContact CG2-CG2 4.26Å; E126-I153 PolarHBondContact O-N 3.03Å; S127-I153 VanDerWaalsContact CA-O 3.27Å; S127-I153 WeakPolarHBondContact CA-O 3.16Å; F151-I153 HydrophobicContact CB-CG2 4.43Å; I153-V162 HydrophobicContact CG2-CB 4.29Å; I153-V162 HydrophobicContact CG2-CG1 4.18Å; I153-V162 HydrophobicContact CG2-CG2 3.79Å
154T93.1Very high94.5Very high99 Ų9954.8 Ų54.861%0.60728%0.279SS*.  trans-76.8154.8168.846.80000110.5N156 T157T154-N156 PolarHBondContact O-N 3.14Å; T154-T157 WeakPolarHBondContact O-CB 3.45Å; T154-T157 PolarHBondContact O-N 3.34Å; T154-T157 PolarHBondContact O-OG1 2.97Å; T154-T157 PolarHBondContact OG1-OG1 3.34Å
155E82.5Confident93.8Very high143 Ų14356.9 Ų56.967%0.66831%0.306SS*.THydrogen-bonded Turntrans-53.7143.7170.9-68.8-171.3178.100110.6T157E155-T157 PolarHBondContact O-N 3.26Å
156N83.8Confident92.4Very high120 Ų12055.8 Ų55.864%0.64232%0.315SS*.THydrogen-bonded Turntrans71.4-8.8-176.7-53.2-54.5000117.2T154 R226T154-N156 PolarHBondContact O-N 3.14Å; N156-R226 VanDerWaalsContact CA-NH2 3.35Å; N156-R226 PolarHBondContact O-NH2 3.17Å; N156-R226 PolarHBondContact OD1-NH1 3.3Å
157T92.8Very high90.7Very high46 Ų4648.2 Ų48.228%0.28229%0.285SS..  trans-65.3138.7170.7-57.90000110.8T154 E155 S159 V162T154-T157 WeakPolarHBondContact O-CB 3.45Å; T154-T157 PolarHBondContact O-N 3.34Å; T154-T157 PolarHBondContact O-OG1 2.97Å; T154-T157 PolarHBondContact OG1-OG1 3.34Å; E155-T157 PolarHBondContact O-N 3.26Å; T157-S159 PolarHBondContact O-N 3.49Å; T157-V162 HydrophobicContact CG2-CG2 3.68Å
158S94.8Very high88.8Confident10 Ų1054.3 Ų54.37%0.0731%0.31CS..  trans-72.1120.5172.7158.40000109.4L160 D161 V162S158-L160 PolarHBondContact O-N 3.1Å; S158-L160 PolarHBondContact OG-N 2.94Å; S158-D161 VanDerWaalsContact CB-OD1 3.24Å; S158-D161 WeakPolarHBondContact CB-OD1 3.43Å; S158-D161 PolarHBondContact O-N 2.83Å; S158-D161 VanDerWaalsContact O-N 3.16Å; S158-D161 PolarHBondContact OG-N 3.26Å; S158-D161 PolarHBondContact OG-OD1 2.94Å; S158-V162 PolarHBondContact O-N 2.84Å
159S95.8Very high87Confident9 Ų961 Ų616%0.06335%0.346CS..Hα-helixtrans-59.6-32.8174.4-62.20000112T125 T157 V162 V163T125-S159 WeakPolarHBondContact OG1-CB 3.36Å; T125-S159 PolarHBondContact OG1-OG 3.38Å; T157-S159 PolarHBondContact O-N 3.49Å; S159-V162 PolarHBondContact O-N 2.97Å; S159-V163 WeakPolarHBondContact O-CG2 3.21Å; S159-V163 PolarHBondContact O-N 3.08Å; S159-V163 VanDerWaalsContact O-N 3.07Å
160L95.5Very high85.8Confident1 Ų161.2 Ų61.21%0.00536%0.357CS..Hα-helixtrans-68.9-38.4177.2-66.6163.4000111.1L100 S158 V162 V163 F164 L173 V176 L227 D230 Y234 V238 F241L100-L160 HydrophobicContact CD2-CD2 3.61Å; L100-L160 HydrophobicContact CD2-CG 4.13Å; S158-L160 PolarHBondContact O-N 3.1Å; S158-L160 PolarHBondContact OG-N 2.94Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 PolarHBondContact O-N 2.85Å; L160-V163 PolarHBondContact O-N 3.45Å; L160-F164 HydrophobicContact CB-CD2 4.13Å; L160-F164 HydrophobicContact CB-CE2 4.36Å; L160-F164 HydrophobicContact CD2-CD2 4.33Å; L160-F164 HydrophobicContact CD2-CE2 3.77Å; L160-F164 VanDerWaalsContact O-CB 3.29Å; L160-F164 WeakPolarHBondContact O-CB 3.27Å; L160-F164 VanDerWaalsContact O-CD2 3.24Å; L160-F164 WeakPolarHBondContact O-CD2 3.45Å; L160-F164 PolarHBondContact O-N 3.14Å; L160-L173 HydrophobicContact CD2-CD1 4.07Å; L160-V176 HydrophobicContact CD2-CG2 3.93Å; L160-L227 HydrophobicContact CD1-CD1 4.45Å; L160-D230 HydrophobicContact CD1-CB 3.82Å; L160-Y234 HydrophobicContact CB-CD2 3.53Å; L160-Y234 HydrophobicContact CB-CE2 3.51Å; L160-Y234 HydrophobicContact CB-CG 4.26Å; L160-Y234 HydrophobicContact CD1-CD2 3.81Å; L160-Y234 HydrophobicContact CD1-CG 4.48Å; L160-Y234 HydrophobicContact CG-CD2 4.2Å; L160-V238 HydrophobicContact CD2-CG2 4.29Å; L160-F241 HydrophobicContact CD1-CE1 3.93Å
161D94.3Very high85.1Confident62 Ų6261.1 Ų61.133%0.33236%0.358SS..Hα-helixtrans-63.2-38.3177.2-63.516.1000110.7S158 G165 Y234S158-D161 VanDerWaalsContact CB-OD1 3.24Å; S158-D161 WeakPolarHBondContact CB-OD1 3.43Å; S158-D161 PolarHBondContact O-N 2.83Å; S158-D161 VanDerWaalsContact O-N 3.16Å; S158-D161 PolarHBondContact OG-N 3.26Å; S158-D161 PolarHBondContact OG-OD1 2.94Å; D161-G165 WeakPolarHBondContact O-CA 3.17Å; D161-G165 PolarHBondContact O-N 3.43Å; D161-Y234 WeakPolarHBondContact CA-OH 3.28Å; D161-Y234 WeakPolarHBondContact OD1-CE2 3.48Å; D161-Y234 PolarHBondContact OD1-OH 2.91Å
162V93.2Very high84.9Confident39 Ų3960.8 Ų60.824%0.23636%0.355CS..Hα-helixtrans-69.3-46.1177.6174.90000111.4F151 I153 T157 S158 S159 L160 G166F151-V162 HydrophobicContact CB-CG1 3.83Å; F151-V162 HydrophobicContact CD1-CG1 3.85Å; F151-V162 HydrophobicContact CG-CG1 3.83Å; I153-V162 HydrophobicContact CG2-CB 4.29Å; I153-V162 HydrophobicContact CG2-CG1 4.18Å; I153-V162 HydrophobicContact CG2-CG2 3.79Å; T157-V162 HydrophobicContact CG2-CG2 3.68Å; S158-V162 PolarHBondContact O-N 2.84Å; S159-V162 PolarHBondContact O-N 2.97Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 PolarHBondContact O-N 2.85Å; V162-G166 PolarHBondContact O-N 3.42Å
163V92.4Very high84.8Confident0 Ų056.7 Ų56.70%034%0.336CS..Hα-helixtrans-66.3-43.7-179.7173.10000111.3L100 F123 F151 S159 L160 T167 L173L100-V163 HydrophobicContact CD1-CG2 3.86Å; L100-V163 HydrophobicContact CD2-CG2 4.27Å; F123-V163 HydrophobicContact CB-CG1 4.25Å; F123-V163 HydrophobicContact CB-CG2 3.89Å; F123-V163 HydrophobicContact CD1-CG1 4.27Å; F123-V163 HydrophobicContact CD2-CG1 4.18Å; F123-V163 HydrophobicContact CG-CG1 3.96Å; F123-V163 HydrophobicContact CG-CG2 4.41Å; F151-V163 HydrophobicContact CD2-CG2 4.42Å; F151-V163 HydrophobicContact CE2-CG2 4.13Å; S159-V163 WeakPolarHBondContact O-CG2 3.21Å; S159-V163 PolarHBondContact O-N 3.08Å; S159-V163 VanDerWaalsContact O-N 3.07Å; L160-V163 PolarHBondContact O-N 3.45Å; V163-T167 WeakPolarHBondContact O-CG2 3.47Å; V163-T167 PolarHBondContact O-OG1 3.07Å; V163-L173 HydrophobicContact CG1-CD1 4.2Å; V163-L173 HydrophobicContact CG1-CD2 4.32Å
164F92.6Very high84.9Confident7 Ų755.7 Ų55.73%0.03133%0.332CS..Hα-helixtrans-87.9-20.5-177.6-69.2-54.6000114.6L160 T171 L173 Y234 R237 V238L160-F164 HydrophobicContact CB-CD2 4.13Å; L160-F164 HydrophobicContact CB-CE2 4.36Å; L160-F164 HydrophobicContact CD2-CD2 4.33Å; L160-F164 HydrophobicContact CD2-CE2 3.77Å; L160-F164 VanDerWaalsContact O-CB 3.29Å; L160-F164 WeakPolarHBondContact O-CB 3.27Å; L160-F164 VanDerWaalsContact O-CD2 3.24Å; L160-F164 WeakPolarHBondContact O-CD2 3.45Å; L160-F164 PolarHBondContact O-N 3.14Å; F164-T171 HydrophobicContact CD1-CG2 4.42Å; F164-T171 HydrophobicContact CE1-CG2 4.22Å; F164-T171 VanDerWaalsContact CE1-O 3.3Å; F164-T171 WeakPolarHBondContact CE1-O 3.25Å; F164-L173 HydrophobicContact CE1-CD1 4.3Å; F164-L173 HydrophobicContact CE1-CG 4.12Å; F164-L173 HydrophobicContact CE2-CD1 4.08Å; F164-L173 HydrophobicContact CZ-CB 4.49Å; F164-L173 HydrophobicContact CZ-CD1 3.69Å; F164-L173 HydrophobicContact CZ-CG 3.82Å; F164-Y234 HydrophobicContact CB-CE1 3.87Å; F164-Y234 AromaticContact CD2-CD1 3.25Å; F164-Y234 HydrophobicContact CD2-CD1 3.25Å; F164-Y234 HydrophobicContact CD2-CD2 4.4Å; F164-Y234 AromaticContact CD2-CE1 3.34Å; F164-Y234 HydrophobicContact CD2-CE1 3.34Å; F164-Y234 HydrophobicContact CD2-CE2 4.47Å; F164-Y234 AromaticContact CD2-CG 3.82Å; F164-Y234 HydrophobicContact CD2-CG 3.82Å; F164-Y234 AromaticContact CD2-CZ 3.98Å; F164-Y234 AromaticContact CE2-CD1 3.54Å; F164-Y234 HydrophobicContact CE2-CD1 3.54Å; F164-Y234 HydrophobicContact CE2-CE1 4.12Å; F164-Y234 AromaticContact CE2-CG 3.79Å; F164-Y234 HydrophobicContact CE2-CG 3.79Å; F164-Y234 HydrophobicContact CG-CD1 4.07Å; F164-Y234 AromaticContact CG-CE1 3.9Å; F164-Y234 HydrophobicContact CG-CE1 3.9Å; F164-R237 HydrophobicContact CE1-CB 4.05Å; F164-R237 HydrophobicContact CE2-CB 4.28Å; F164-R237 HydrophobicContact CZ-CB 3.71Å; F164-V238 HydrophobicContact CE2-CG2 4.1Å; F164-V238 HydrophobicContact CZ-CG2 3.99Å
165G84.3Confident85.2Confident67 Ų6751 Ų5169%0.69130%0.303SS*.Hα-helixtrans-80.7-26.4178.700000113.2D161D161-G165 WeakPolarHBondContact O-CA 3.17Å; D161-G165 PolarHBondContact O-N 3.43Å
166G66.7Low85.9Confident63 Ų6344.2 Ų44.265%0.64927%0.271SS*.SBendtrans-92-5.2177.300000115.1V162V162-G166 PolarHBondContact O-N 3.42Å
167T60.8Low86.6Confident33 Ų3338.5 Ų38.520%0.20224%0.24CC..SBendtrans-119.5155-176.560.80000111.5V163 T171V163-T167 WeakPolarHBondContact O-CG2 3.47Å; V163-T167 PolarHBondContact O-OG1 3.07Å; T167-T171 WeakPolarHBondContact CB-OG1 3.48Å; T167-T171 WeakPolarHBondContact OG1-CB 3.38Å; T167-T171 PolarHBondContact OG1-OG1 2.58Å
168Q57.5Low86.9Confident154 Ų15436.3 Ų36.372%0.7223%0.227SC*.  trans-52.1152.8175.3-64.1-173.51900110.5T170 T171Q168-T170 PolarHBondContact O-N 3.32Å; Q168-T171 PolarHBondContact O-N 2.91Å
169N61.8Low86.9Confident149 Ų14937.1 Ų37.180%0.79723%0.23SC*.THydrogen-bonded Turntrans-55.1-1.4-179.7-79.9-15.8000115.2
170T72.3Confident86.8Confident111 Ų11136.8 Ų36.868%0.68123%0.228SC*.THydrogen-bonded Turntrans-97.4-9.9-176.8570000114.8Q168 Y172Q168-T170 PolarHBondContact O-N 3.32Å; T170-Y172 PolarHBondContact O-N 2.69Å
171T83Confident86.5Confident28 Ų2837.8 Ų37.817%0.17224%0.235CC..  trans-63.4128.5179.1-53.10000110.8F164 T167 Q168 R237F164-T171 HydrophobicContact CD1-CG2 4.42Å; F164-T171 HydrophobicContact CE1-CG2 4.22Å; F164-T171 VanDerWaalsContact CE1-O 3.3Å; F164-T171 WeakPolarHBondContact CE1-O 3.25Å; T167-T171 WeakPolarHBondContact CB-OG1 3.48Å; T167-T171 WeakPolarHBondContact OG1-CB 3.38Å; T167-T171 PolarHBondContact OG1-OG1 2.58Å; Q168-T171 PolarHBondContact O-N 2.91Å; T171-R237 PolarHBondContact O-NE 3.26Å; T171-R237 PolarHBondContact O-NH2 3.05Å
172Y92.5Very high86.2Confident29 Ų2936.3 Ų36.311%0.11423%0.225CC..  trans-119.2137.7171.7-177-95.3000108.1T170 D174 R237 G239T170-Y172 PolarHBondContact O-N 2.69Å; Y172-D174 WeakPolarHBondContact CD1-OD1 3.38Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.49Å; Y172-R237 WeakPolarHBondContact CD2-O 3.43Å; Y172-G239 WeakPolarHBondContact OH-CA 3.22Å; Y172-G239 PolarHBondContact OH-N 3.24Å
173L96Very high85.9Confident0 Ų037 Ų370%023%0.225CC..EExtended strand (participates in β ladder)trans-106.7126.9173.4-62.1173.7000108.6S98 L100 F123 L160 V163 F164 A175 V176 R237 V238 G239S98-L173 CarbonylContact O-C 3.56Å; L100-L173 HydrophobicContact CB-CD1 3.8Å; L100-L173 HydrophobicContact CD2-CD1 4.23Å; F123-L173 HydrophobicContact CD2-CD2 3.52Å; F123-L173 HydrophobicContact CE2-CD2 3.74Å; L160-L173 HydrophobicContact CD2-CD1 4.07Å; V163-L173 HydrophobicContact CG1-CD1 4.2Å; V163-L173 HydrophobicContact CG1-CD2 4.32Å; F164-L173 HydrophobicContact CE1-CD1 4.3Å; F164-L173 HydrophobicContact CE1-CG 4.12Å; F164-L173 HydrophobicContact CE2-CD1 4.08Å; F164-L173 HydrophobicContact CZ-CB 4.49Å; F164-L173 HydrophobicContact CZ-CD1 3.69Å; F164-L173 HydrophobicContact CZ-CG 3.82Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-V176 HydrophobicContact CD1-CG2 4.32Å; L173-R237 PolarHBondContact N-O 3.39Å; L173-V238 HydrophobicContact CB-CG2 4.31Å; L173-V238 HydrophobicContact CD1-CG2 4.48Å; L173-V238 CarbonylContact O-C 3.51Å; L173-V238 WeakPolarHBondContact O-CA 3.35Å; L173-G239 PolarHBondContact O-N 3.18Å
174D97.5Very high85.6Confident0 Ų039 Ų390%024%0.24CC..EExtended strand (participates in β ladder)trans-71.4-37.3178.1-55.3-53.9000110.6L87 L90 F93 S94 A97 S98 Y172 G239 V240L87-D174 HydrophobicContact CD2-CB 3.59Å; L90-D174 HydrophobicContact CD1-CB 4.08Å; L90-D174 WeakPolarHBondContact CD1-O 3.29Å; F93-D174 WeakPolarHBondContact CA-OD1 3.31Å; F93-D174 HydrophobicContact CB-CB 4.43Å; S94-D174 WeakPolarHBondContact CB-OD2 3.11Å; S94-D174 VanDerWaalsContact N-CG 3.26Å; S94-D174 PolarHBondContact N-OD1 2.55Å; S94-D174 PolarHBondContact N-OD2 3.47Å; S94-D174 VanDerWaalsContact N-OD2 3.1Å; S94-D174 PolarHBondContact OG-OD1 2.87Å; S94-D174 PolarHBondContact OG-OD2 3.46Å; S94-D174 VanDerWaalsContact OG-OD2 3.05Å; A97-D174 WeakPolarHBondContact CA-OD2 3.37Å; A97-D174 HydrophobicContact CB-CB 4.47Å; S98-D174 PolarHBondContact N-OD2 2.79Å; S98-D174 PolarHBondContact O-N 3.44Å; Y172-D174 WeakPolarHBondContact CD1-OD1 3.38Å; Y172-D174 WeakPolarHBondContact CE1-OD1 3.49Å; D174-G239 CarbonylContact O-C 3.54Å; D174-G239 WeakPolarHBondContact O-CA 3.37Å; D174-V240 PolarHBondContact O-N 3.36Å
175A98.1Very high85.2Confident0 Ų041.7 Ų41.70%025%0.254CS..EExtended strand (participates in β ladder)trans-145.1154.6173.200000114.3L83 L87 I99 L100 L173 V240L83-A175 HydrophobicContact CD1-CB 3.74Å; L83-A175 HydrophobicContact CD2-CB 4.43Å; L83-A175 HydrophobicContact CG-CB 4.32Å; L87-A175 HydrophobicContact CD2-CB 4.01Å; I99-A175 VanDerWaalsContact CA-O 3.32Å; I99-A175 WeakPolarHBondContact CA-O 3.22Å; I99-A175 HydrophobicContact CG1-CB 4.45Å; L100-A175 PolarHBondContact N-O 3.44Å; L173-A175 VanDerWaalsContact C-N 3.34Å; A175-V240 CarbonylContact C-O 3.54Å; A175-V240 WeakPolarHBondContact CA-O 3.38Å; A175-V240 HydrophobicContact CB-CG1 3.74Å
176V98.5Very high85.1Confident0 Ų041.9 Ų41.90%024%0.242CC..EExtended strand (participates in β ladder)trans-114.3135.5164.2177.50000108.1L100 I102 L160 L173 L227 V238 V240 F241 T242L100-V176 HydrophobicContact CB-CG2 4.21Å; L100-V176 HydrophobicContact CD2-CG1 4.39Å; L100-V176 HydrophobicContact CD2-CG2 4.38Å; L100-V176 HydrophobicContact CG-CG1 4.45Å; L100-V176 CarbonylContact O-C 3.25Å; L100-V176 WeakPolarHBondContact O-CA 3.47Å; I102-V176 HydrophobicContact CD1-CG1 3.71Å; I102-V176 HydrophobicContact CG1-CG1 4.21Å; L160-V176 HydrophobicContact CD2-CG2 3.93Å; L173-V176 HydrophobicContact CD1-CG2 4.32Å; V176-L227 HydrophobicContact CG1-CD1 4.32Å; V176-V238 HydrophobicContact CG2-CG1 3.68Å; V176-V238 HydrophobicContact CG2-CG2 4.26Å; V176-V240 PolarHBondContact N-O 3.11Å; V176-F241 HydrophobicContact CB-CD1 3.82Å; V176-F241 HydrophobicContact CB-CE1 4.33Å; V176-F241 HydrophobicContact CG1-CD1 4.26Å; V176-F241 HydrophobicContact CG2-CD1 3.88Å; V176-F241 HydrophobicContact CG2-CE1 3.88Å; V176-T242 PolarHBondContact O-N 3.06Å; V176-T242 PolarHBondContact O-OG1 2.92Å
177M98.6Very high85.8Confident0 Ų042 Ų420%023%0.232CC..EExtended strand (participates in β ladder)trans-129.4151.6175.466.6-176.7-60.800111.5Y79 I80 L83 I99 L100 D101 I102 Y110 F122 T242Y79-M177 HydrophobicContact CD1-CE 3.77Å; Y79-M177 HydrophobicContact CE1-CB 4.28Å; Y79-M177 HydrophobicContact CE1-CE 3.83Å; Y79-M177 HydrophobicContact CE2-CB 4.45Å; Y79-M177 HydrophobicContact CG-CE 4.18Å; I80-M177 HydrophobicContact CD1-CE 4.45Å; L83-M177 HydrophobicContact CD2-SD 3.94Å; I99-M177 HydrophobicContact CG2-CG 4.16Å; I99-M177 HydrophobicContact CG2-SD 4.09Å; L100-M177 PolarHBondContact O-N 3.21Å; D101-M177 HydrophobicContact CB-CG 3.99Å; D101-M177 HydrophobicContact CB-SD 4.49Å; I102-M177 PolarHBondContact N-O 2.7Å; Y110-M177 HydrophobicContact CD1-CE 3.41Å; Y110-M177 VanDerWaalsContact CD1-CE 3.41Å; Y110-M177 HydrophobicContact CD2-CE 3.72Å; Y110-M177 HydrophobicContact CE1-CE 3.91Å; Y110-M177 HydrophobicContact CE2-CE 4.22Å; Y110-M177 HydrophobicContact CG-CE 3.29Å; Y110-M177 HydrophobicContact CG-SD 4.32Å; F122-M177 HydrophobicContact CE1-SD 3.88Å; F122-M177 HydrophobicContact CZ-SD 4.44Å; M177-T242 WeakPolarHBondContact CA-O 3.46Å; M177-T242 WeakPolarHBondContact CA-OG1 3.43Å
178A98.1Very high86.8Confident0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-153.3141.8177.400000110.9Y79 I102 P180 F223 L227 T242 V243 M244Y79-A178 PolarHBondContact OH-N 3.15Å; I102-A178 HydrophobicContact CB-CB 4.1Å; A178-P180 WeakPolarHBondContact O-CD 3.36Å; A178-F223 HydrophobicContact CB-CE1 3.83Å; A178-F223 HydrophobicContact CB-CZ 4.16Å; A178-L227 HydrophobicContact CB-CD2 4.47Å; A178-T242 PolarHBondContact N-O 3.26Å; A178-V243 HydrophobicContact CB-CG2 4.21Å; A178-M244 PolarHBondContact O-N 3.05Å
179N96.2Very high87.7Confident27 Ų2736.1 Ų36.114%0.14421%0.21CC..  trans-118.580.5166.2176.958.4000108.9R76 Y110 F182R76-N179 VanDerWaalsContact NH1-CG 3.32Å; R76-N179 PolarHBondContact NH1-ND2 3.06Å; Y110-N179 HydrophobicContact CE2-CB 3.9Å; N179-F182 WeakPolarHBondContact OD1-CZ 3.44Å
180P92.5Very high88.4Confident3 Ų334.3 Ų34.32%0.01920%0.204CC..  trans-61.1156.3-172.124.4-36.9000113.4A178 F182 E220 F223 V243 M244A178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-F182 WeakPolarHBondContact O-CD1 3.46Å; P180-F182 VanDerWaalsContact O-CE1 3.25Å; P180-F182 WeakPolarHBondContact O-CE1 3.27Å; P180-F182 PolarHBondContact O-N 3.45Å; P180-E220 HydrophobicContact CB-CB 4.44Å; P180-E220 HydrophobicContact CG-CB 4.07Å; P180-F223 HydrophobicContact CB-CB 4.03Å; P180-F223 HydrophobicContact CB-CD1 3.55Å; P180-F223 HydrophobicContact CB-CD2 3.92Å; P180-F223 HydrophobicContact CB-CE1 3.91Å; P180-F223 HydrophobicContact CB-CE2 4.24Å; P180-F223 HydrophobicContact CB-CG 3.56Å; P180-F223 HydrophobicContact CB-CZ 4.23Å; P180-F223 HydrophobicContact CG-CD1 4.15Å; P180-F223 HydrophobicContact CG-CE1 4.5Å; P180-V243 HydrophobicContact CG-CG2 3.73Å; P180-M244 VanDerWaalsContact CD-O 3.23Å; P180-M244 WeakPolarHBondContact CD-O 3.38Å; P180-M244 WeakPolarHBondContact CG-O 3.49Å
181P89.7Confident88.3Confident22 Ų2229.5 Ų29.514%0.14318%0.176CC..  trans-56.3125.7161-20.332.4000109.8H212 S214 T216 E220P181-H212 VanDerWaalsContact CG-O 3.28Å; P181-H212 WeakPolarHBondContact CG-O 3.07Å; P181-S214 CarbonylContact C-O 3.56Å; P181-T216 HydrophobicContact CB-CG2 4.12Å; P181-E220 PolarHBondContact O-N 3.35Å
182F87.1Confident87.3Confident30 Ų3031.9 Ų31.913%0.13220%0.195CC..  trans-79.3-29.8-167.9-60.2-36.2000114.3N179 P180 S214 E220 K247N179-F182 WeakPolarHBondContact OD1-CZ 3.44Å; P180-F182 WeakPolarHBondContact O-CD1 3.46Å; P180-F182 VanDerWaalsContact O-CE1 3.25Å; P180-F182 WeakPolarHBondContact O-CE1 3.27Å; P180-F182 PolarHBondContact O-N 3.45Å; F182-S214 PolarHBondContact N-O 3.19Å; F182-S214 VanDerWaalsContact N-O 3.1Å; F182-E220 WeakPolarHBondContact CD1-OE2 3.5Å; F182-E220 PolarHBondContact O-N 3.29Å; F182-K247 WeakPolarHBondContact O-CE 3.48Å; F182-K247 PolarHBondContact O-NZ 3.01Å
183F87.7Confident85.7Confident54 Ų5436 Ų3624%0.23722%0.222CC..BIsolated β-bridgetrans-103.3147.6-165-54.1-68.9000112.5D188 A189 S214 Q215 T216F183-D188 WeakPolarHBondContact CA-OD2 3.25Å; F183-D188 HydrophobicContact CB-CB 4.37Å; F183-A189 HydrophobicContact CB-CB 4Å; F183-A189 HydrophobicContact CD1-CB 4.2Å; F183-A189 HydrophobicContact CD2-CB 3.63Å; F183-A189 HydrophobicContact CE2-CB 4.12Å; F183-A189 HydrophobicContact CG-CB 3.68Å; F183-S214 VanDerWaalsContact CD2-O 3.27Å; F183-S214 WeakPolarHBondContact CD2-O 3.32Å; F183-S214 PolarHBondContact N-O 3.16Å; F183-Q215 HydrophobicContact CB-CG 4.25Å; F183-Q215 CarbonylContact O-C 3.53Å; F183-Q215 VanDerWaalsContact O-CA 3.22Å; F183-Q215 WeakPolarHBondContact O-CA 3.41Å; F183-T216 PolarHBondContact O-N 3.46Å
184S85.3Confident84Confident43 Ų4340.2 Ų40.230%0.30125%0.248SC..SBendtrans-71.4-37.5172.754.60000112.2D188 T216S184-D188 PolarHBondContact N-OD2 2.98Å; S184-D188 WeakPolarHBondContact OG-CB 3.36Å; S184-D188 PolarHBondContact OG-OD2 3.09Å; S184-T216 WeakPolarHBondContact CA-O 3.45Å
185D85.5Confident82.4Confident63 Ų6342.5 Ų42.534%0.33726%0.264SS..SBendtrans-163.1-176.3-171.75664.8000110.5S187 D188 A189D185-S187 WeakPolarHBondContact OD1-CA 3.3Å; D185-S187 VanDerWaalsContact OD1-CB 3.26Å; D185-S187 WeakPolarHBondContact OD1-CB 3.21Å; D185-S187 PolarHBondContact OD1-N 3.14Å; D185-D188 PolarHBondContact OD1-N 3.27Å; D185-A189 PolarHBondContact O-N 2.95Å; D185-A189 VanDerWaalsContact O-N 3.08Å
186T82.2Confident80.7Confident71 Ų7153.2 Ų53.244%0.43630%0.304SS..Hα-helixtrans-66.2-35.5-179.9-54.10000113.2A189 V190 Q215T186-A189 PolarHBondContact O-N 3.01Å; T186-V190 HydrophobicContact CG2-CG2 4.33Å; T186-V190 WeakPolarHBondContact O-CG2 3.17Å; T186-V190 PolarHBondContact O-N 3.28Å; T186-Q215 PolarHBondContact OG1-NE2 3.04Å
187S81.2Confident79.3Confident64 Ų6456.1 Ų56.145%0.44833%0.325SS..Hα-helixtrans-65.9-42.9-179.9-61.70000110.9D185 V190 G191 S192D185-S187 WeakPolarHBondContact OD1-CA 3.3Å; D185-S187 VanDerWaalsContact OD1-CB 3.26Å; D185-S187 WeakPolarHBondContact OD1-CB 3.21Å; D185-S187 PolarHBondContact OD1-N 3.14Å; S187-V190 PolarHBondContact O-N 2.7Å; S187-G191 PolarHBondContact O-N 2.87Å; S187-S192 PolarHBondContact O-N 3.05Å; S187-S192 PolarHBondContact O-OG 2.86Å
188D80.8Confident78Confident27 Ų2765 Ų6514%0.14437%0.371CS..Hα-helixtrans-63.9-39.3173.5-178.231.1000112F183 S184 D185 G191 K247F183-D188 WeakPolarHBondContact CA-OD2 3.25Å; F183-D188 HydrophobicContact CB-CB 4.37Å; S184-D188 PolarHBondContact N-OD2 2.98Å; S184-D188 WeakPolarHBondContact OG-CB 3.36Å; S184-D188 PolarHBondContact OG-OD2 3.09Å; D185-D188 PolarHBondContact OD1-N 3.27Å; D188-G191 PolarHBondContact O-N 3.01Å; D188-K247 IonicContact OD1-NZ 3.27Å; D188-K247 PolarHBondContact OD1-NZ 3.44Å; D188-K247 IonicContact OD2-NZ 3.3Å; D188-K247 PolarHBondContact OD2-NZ 3.01Å
189A77.9Confident76.9Confident38 Ų3874.1 Ų74.131%0.31441%0.411SS..Hα-helixtrans-65.3-39.3175.900000113.6F183 D185 T186 G191F183-A189 HydrophobicContact CB-CB 4Å; F183-A189 HydrophobicContact CD1-CB 4.2Å; F183-A189 HydrophobicContact CD2-CB 3.63Å; F183-A189 HydrophobicContact CE2-CB 4.12Å; F183-A189 HydrophobicContact CG-CB 3.68Å; D185-A189 PolarHBondContact O-N 2.95Å; D185-A189 VanDerWaalsContact O-N 3.08Å; T186-A189 PolarHBondContact O-N 3.01Å; A189-G191 VanDerWaalsContact C-N 3.28Å
190V75.6Confident75.7Confident111 Ų11180.8 Ų80.867%0.67343%0.434SS*.Hα-helixtrans-76.5-19.9176.3177.20000111.4T186 S187 S192T186-V190 HydrophobicContact CG2-CG2 4.33Å; T186-V190 WeakPolarHBondContact O-CG2 3.17Å; T186-V190 PolarHBondContact O-N 3.28Å; S187-V190 PolarHBondContact O-N 2.7Å; V190-S192 VanDerWaalsContact C-N 3.33Å
191G71.3Confident74.8Confident9 Ų985.7 Ų85.79%0.09347%0.466CS..THydrogen-bonded Turntrans73.425.5-17900000113.2S187 D188 A189 T193 T194 C195S187-G191 PolarHBondContact O-N 2.87Å; D188-G191 PolarHBondContact O-N 3.01Å; A189-G191 VanDerWaalsContact C-N 3.28Å; G191-T193 PolarHBondContact O-N 2.86Å; G191-T194 PolarHBondContact O-N 2.69Å; G191-C195 PolarHBondContact O-N 3.21Å; G191-C195 VanDerWaalsContact O-N 3.15Å; G191-C195 PolarHBondContact O-SG 3.05Å; G191-C195 VanDerWaalsContact O-SG 3.4Å
192S61.2Low74.1Confident79 Ų7989.8 Ų89.855%0.55249%0.493SS*.THydrogen-bonded Turntrans-60.6-28.5-177.956.70000112.7S187 V190S187-S192 PolarHBondContact O-N 3.05Å; S187-S192 PolarHBondContact O-OG 2.86Å; V190-S192 VanDerWaalsContact C-N 3.33Å
193T58.3Low73.5Confident114 Ų11493.3 Ų93.370%0.69952%0.518SS*.THydrogen-bonded Turntrans-95.7-15.9-179.554.90000114.2G191G191-T193 PolarHBondContact O-N 2.86Å
194T61.5Low73.1Confident89 Ų8997.1 Ų97.155%0.54654%0.535SS..THydrogen-bonded Turntrans-110.2-14.5-172.259.30000114G191 R196G191-T194 PolarHBondContact O-N 2.69Å; T194-R196 PolarHBondContact O-N 3.5Å
195C62.7Low72.7Confident49 Ų4997.8 Ų97.833%0.33154%0.537SS..  trans-80.3107.3177.1-710000111.3G191 S197 R200G191-C195 PolarHBondContact O-N 3.21Å; G191-C195 VanDerWaalsContact O-N 3.15Å; G191-C195 PolarHBondContact O-SG 3.05Å; G191-C195 VanDerWaalsContact O-SG 3.4Å; C195-S197 PolarHBondContact O-N 3.21Å; C195-R200 PolarHBondContact SG-NH1 2.77Å
196R63.5Low72.5Confident224 Ų22497.6 Ų97.685%0.84554%0.538SS*.SBendtrans-66.7-10.6175.1-68.4-170.2-97.6-170.4-12.6114.8T194 E473T194-R196 PolarHBondContact O-N 3.5Å; R196-E473 IonicContact CZ-OE1 3.81Å; R196-E473 IonicContact NH1-OE1 2.56Å; R196-E473 PolarHBondContact NH1-OE1 3.02Å; R196-E473 IonicContact NH2-OE1 3.52Å
197S68.8Low72.5Confident61 Ų6198 Ų9843%0.42754%0.544SS..  trans-143.8130.1-177.7178.60000111.2C195 K199 R200C195-S197 PolarHBondContact O-N 3.21Å; S197-K199 PolarHBondContact O-N 3.13Å; S197-K199 PolarHBondContact OG-N 3.04Å; S197-R200 WeakPolarHBondContact O-CB 3.12Å; S197-R200 PolarHBondContact O-N 3.15Å
198L71.3Confident72.7Confident186 Ų18695.9 Ų95.997%0.97453%0.529SS*.THydrogen-bonded Turntrans-66.6-18172.2-62.8174.8000112.6R200L198-R200 PolarHBondContact O-N 2.68Å
199K73.9Confident72.9Confident193 Ų19395.6 Ų95.684%0.83953%0.53SS*.THydrogen-bonded Turntrans-82.65.5178.5-62.7-174.4178.7-178.10113.5S197 P201S197-K199 PolarHBondContact O-N 3.13Å; S197-K199 PolarHBondContact OG-N 3.04Å; K199-P201 WeakPolarHBondContact O-CD 3.4Å
200R71.3Confident73.3Confident166 Ų16694.5 Ų94.563%0.62652%0.521SS*.PPolyproline II helixtrans-64124.1-179-174.3178.7-176.5168.11.6109.4C195 S197 L198C195-R200 PolarHBondContact SG-NH1 2.77Å; S197-R200 WeakPolarHBondContact O-CB 3.12Å; S197-R200 PolarHBondContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.68Å
201P73.7Confident73.9Confident106 Ų10697.3 Ų97.369%0.68852%0.52SS*.PPolyproline II helixtrans-59.5142.3176.4-23.833.6000111.2K199K199-P201 WeakPolarHBondContact O-CD 3.4Å
202P74.3Confident74.6Confident108 Ų10899.8 Ų99.870%0.70153%0.529SS*.PPolyproline II helixtrans-62.2157.8174.527.1-34.3000110.9K204P202-K204 PolarHBondContact O-N 3.16Å
203P76.4Confident75.8Confident104 Ų10497.4 Ų97.468%0.67551%0.509SS*.PPolyproline II helixtrans-59.4141174.225.9-33.1000110.5T205P203-T205 PolarHBondContact O-N 2.76Å
204K79.1Confident77.2Confident135 Ų13593 Ų9359%0.58748%0.483SS*.SBendtrans-75.3-3176.4-68.6-166.4171.2-161.90113.7P202P202-K204 PolarHBondContact O-N 3.16Å
205T77Confident78.6Confident57 Ų5790.1 Ų90.135%0.3546%0.464SS..SBendtrans-126.7133.9-176.8530000108.8F40 P203F40-T205 HydrophobicContact CB-CG2 4.2Å; F40-T205 WeakPolarHBondContact O-CA 3.26Å; P203-T205 PolarHBondContact O-N 2.76Å
206V80.9Confident79.8Confident58 Ų5889.6 Ų89.635%0.35246%0.459SS..  trans-84151171.270.20000110.4F40 R41 P43F40-V206 PolarHBondContact O-N 3.2Å; R41-V206 VanDerWaalsContact C-CG1 3.43Å; R41-V206 VanDerWaalsContact O-CB 3.26Å; R41-V206 WeakPolarHBondContact O-CB 3.23Å; R41-V206 WeakPolarHBondContact O-CG1 3.23Å; P43-V206 HydrophobicContact CG-CG1 3.76Å
207S81.6Confident81Confident80 Ų8084.3 Ų84.356%0.55945%0.451SS*.  trans-106.4120166.8178.60000108.9A209S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 WeakPolarHBondContact OG-CB 3.47Å; S207-A209 PolarHBondContact OG-N 2.72Å
208S84.9Confident82Confident20 Ų2083.5 Ų83.514%0.1445%0.453CS..  trans-88.26.2168.2530000112.9G66 D67 R68 I70 A210G66-S208 WeakPolarHBondContact O-CB 3.37Å; D67-S208 CarbonylContact C-O 3.49Å; D67-S208 VanDerWaalsContact C-O 3.28Å; R68-S208 CarbonylContact C-O 3.53Å; R68-S208 VanDerWaalsContact C-O 3.31Å; R68-S208 WeakPolarHBondContact CA-O 3.3Å; R68-S208 PolarHBondContact N-O 2.73Å; R68-S208 CarbonylContact O-C 3.55Å; R68-S208 WeakPolarHBondContact O-CB 3.35Å; R68-S208 PolarHBondContact O-OG 3.46Å; I70-S208 WeakPolarHBondContact CD1-OG 3.2Å; I70-S208 WeakPolarHBondContact CG1-OG 3.44Å; S208-A210 PolarHBondContact O-N 3.05Å
209A84.9Confident82.9Confident20 Ų2074.8 Ų74.817%0.16541%0.408CS..  trans-56.4134.7-177.900000111.7L69 S207 E213L69-A209 HydrophobicContact CB-CB 3.82Å; L69-A209 HydrophobicContact CD1-CB 3.9Å; L69-A209 HydrophobicContact CG-CB 4.39Å; S207-A209 VanDerWaalsContact C-N 3.27Å; S207-A209 WeakPolarHBondContact OG-CB 3.47Å; S207-A209 PolarHBondContact OG-N 2.72Å; A209-E213 HydrophobicContact CB-CB 4.18Å
210A87.8Confident83.9Confident15 Ų1565.7 Ų65.712%0.12437%0.368CS..  trans-63.6159.8167.400000110.3S208 H212 E213 S214S208-A210 PolarHBondContact O-N 3.05Å; A210-H212 VanDerWaalsContact C-N 3.28Å; A210-H212 WeakPolarHBondContact CB-CE1 3.5Å; A210-H212 PolarHBondContact O-N 3.31Å; A210-E213 HydrophobicContact CB-CG 4.27Å; A210-E213 PolarHBondContact N-OE2 3.15Å; A210-E213 PolarHBondContact O-N 3.28Å; A210-S214 PolarHBondContact O-N 2.86Å; A210-S214 PolarHBondContact O-OG 3.21Å
211R87.3Confident85.1Confident171 Ų17159.6 Ų59.665%0.64535%0.349SS*.Hα-helixtrans-56.1-43-176.1-170.6178.5178.8-170.2-2.8112E213 S214 Q215R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.15Å; R211-S214 PolarHBondContact O-N 3.48Å; R211-S214 PolarHBondContact O-OG 2.95Å; R211-Q215 HydrophobicContact CG-CB 4.4Å; R211-Q215 HydrophobicContact CG-CG 4.25Å; R211-Q215 WeakPolarHBondContact O-CB 3.44Å; R211-Q215 PolarHBondContact O-N 3.41Å
212H86.1Confident86.1Confident61 Ų6158.3 Ų58.328%0.28233%0.331SS..Hα-helixtrans-70.7-1917961.3-82.3000114.3D128 P181 A210 S214D128-H212 WeakPolarHBondContact CB-NE2 3.26Å; D128-H212 IonicContact OD1-CE1 3.26Å; D128-H212 IonicContact OD1-NE2 2.73Å; D128-H212 IonicContact OD2-CE1 3.2Å; D128-H212 IonicContact OD2-NE2 2.76Å; D128-H212 PolarHBondContact OD2-NE2 2.87Å; P181-H212 VanDerWaalsContact CG-O 3.28Å; P181-H212 WeakPolarHBondContact CG-O 3.07Å; A210-H212 VanDerWaalsContact C-N 3.28Å; A210-H212 WeakPolarHBondContact CB-CE1 3.5Å; A210-H212 PolarHBondContact O-N 3.31Å; H212-S214 VanDerWaalsContact C-N 3.35Å
213E86.3Confident87.1Confident28 Ų2854.7 Ų54.713%0.13131%0.305CS..Hα-helixtrans-83.9-14.8174.6-61.7-176.5114.200112.4R68 L69 N131 A209 A210 R211R68-E213 WeakPolarHBondContact CA-OE2 3.47Å; R68-E213 WeakPolarHBondContact CD-OE2 3.33Å; L69-E213 HydrophobicContact CB-CB 4.42Å; L69-E213 PolarHBondContact N-OE2 3.24Å; N131-E213 PolarHBondContact ND2-OE1 3.32Å; A209-E213 HydrophobicContact CB-CB 4.18Å; A210-E213 HydrophobicContact CB-CG 4.27Å; A210-E213 PolarHBondContact N-OE2 3.15Å; A210-E213 PolarHBondContact O-N 3.28Å; R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.15Å
214S88.2Confident88.1Confident23 Ų2349.8 Ų49.816%0.16127%0.272CS..Hα-helixtrans-116.6-27.3-176.656.40000113.4P181 F182 F183 A210 R211 H212P181-S214 CarbonylContact C-O 3.56Å; F182-S214 PolarHBondContact N-O 3.19Å; F182-S214 VanDerWaalsContact N-O 3.1Å; F183-S214 VanDerWaalsContact CD2-O 3.27Å; F183-S214 WeakPolarHBondContact CD2-O 3.32Å; F183-S214 PolarHBondContact N-O 3.16Å; A210-S214 PolarHBondContact O-N 2.86Å; A210-S214 PolarHBondContact O-OG 3.21Å; R211-S214 PolarHBondContact O-N 3.48Å; R211-S214 PolarHBondContact O-OG 2.95Å; H212-S214 VanDerWaalsContact C-N 3.35Å
215Q90.2Very high88.9Confident28 Ų2844.7 Ų44.713%0.13125%0.251CS..BIsolated β-bridgetrans-121.6142.6-176.6-54.5176.515.100112.1F183 T186 R211F183-Q215 HydrophobicContact CB-CG 4.25Å; F183-Q215 CarbonylContact O-C 3.53Å; F183-Q215 VanDerWaalsContact O-CA 3.22Å; F183-Q215 WeakPolarHBondContact O-CA 3.41Å; T186-Q215 PolarHBondContact OG1-NE2 3.04Å; R211-Q215 HydrophobicContact CG-CB 4.4Å; R211-Q215 HydrophobicContact CG-CG 4.25Å; R211-Q215 WeakPolarHBondContact O-CB 3.44Å; R211-Q215 PolarHBondContact O-N 3.41Å
216T89.2Confident89.8Confident37 Ų3744.8 Ų44.823%0.22725%0.245CC..  trans-149.3154.8170.5-1680000109.8P181 F183 S184 G218 G219 F223P181-T216 HydrophobicContact CB-CG2 4.12Å; F183-T216 PolarHBondContact O-N 3.46Å; S184-T216 WeakPolarHBondContact CA-O 3.45Å; T216-G218 PolarHBondContact O-N 3.35Å; T216-G218 VanDerWaalsContact O-N 3.15Å; T216-G219 WeakPolarHBondContact CG2-O 3.49Å; T216-G219 WeakPolarHBondContact O-CA 3.23Å; T216-G219 PolarHBondContact O-N 3.26Å; T216-F223 HydrophobicContact CG2-CB 4.44Å
217V88.3Confident90.6Very high114 Ų11442.3 Ų42.369%0.69123%0.23SC*.THydrogen-bonded Turntrans-57.3122.9-179.3177.80000110G219 Y222V217-G219 PolarHBondContact O-N 3.27Å; V217-Y222 WeakPolarHBondContact O-CB 3.42Å; V217-Y222 WeakPolarHBondContact O-CD1 3.23Å
218G88.5Confident91.3Very high44 Ų4438.5 Ų38.545%0.45420%0.203SC..THydrogen-bonded Turntrans71.87.6-176.900000115.2T216 Y222T216-G218 PolarHBondContact O-N 3.35Å; T216-G218 VanDerWaalsContact O-N 3.15Å; G218-Y222 PolarHBondContact O-N 3.1Å
219G91.7Very high91.9Very high3 Ų343.2 Ų43.23%0.03122%0.218CC..Hα-helixtrans62.5-162.6177.500000114T216 V217 V221 Y222 F223T216-G219 WeakPolarHBondContact CG2-O 3.49Å; T216-G219 WeakPolarHBondContact O-CA 3.23Å; T216-G219 PolarHBondContact O-N 3.26Å; V217-G219 PolarHBondContact O-N 3.27Å; G219-V221 PolarHBondContact O-N 2.79Å; G219-V221 VanDerWaalsContact O-N 3.16Å; G219-Y222 PolarHBondContact O-N 3.1Å; G219-F223 PolarHBondContact O-N 3.48Å; G219-F223 VanDerWaalsContact O-N 3.15Å
220E94.5Very high92.4Very high2 Ų243 Ų431%0.00921%0.214CC..Hα-helixtrans-59.7-28.5-176.759.9-174.6170.100114P180 P181 F182 F223 C224 L245 G246 K247 S250P180-E220 HydrophobicContact CB-CB 4.44Å; P180-E220 HydrophobicContact CG-CB 4.07Å; P181-E220 PolarHBondContact O-N 3.35Å; F182-E220 WeakPolarHBondContact CD1-OE2 3.5Å; F182-E220 PolarHBondContact O-N 3.29Å; E220-F223 PolarHBondContact O-N 3.09Å; E220-C224 WeakPolarHBondContact O-CB 3.38Å; E220-C224 PolarHBondContact O-N 3.16Å; E220-C224 PolarHBondContact O-SG 3.19Å; E220-L245 HydrophobicContact CB-CD2 4.28Å; E220-L245 HydrophobicContact CG-CD2 4.28Å; E220-L245 VanDerWaalsContact OE2-CA 3.23Å; E220-L245 WeakPolarHBondContact OE2-CA 3.47Å; E220-G246 PolarHBondContact OE2-N 3.45Å; E220-K247 WeakPolarHBondContact OE1-CB 3.17Å; E220-K247 VanDerWaalsContact OE1-CG 3.25Å; E220-K247 WeakPolarHBondContact OE1-CG 3.49Å; E220-K247 PolarHBondContact OE1-N 3.33Å; E220-S250 VanDerWaalsContact CD-OG 3.29Å; E220-S250 WeakPolarHBondContact CG-OG 3.5Å; E220-S250 WeakPolarHBondContact OE1-CB 3.46Å; E220-S250 PolarHBondContact OE1-OG 2.89Å
221V95.6Very high92.8Very high38 Ų3842.3 Ų42.323%0.2321%0.208CC..Hα-helixtrans-67.7-44.3179.3178.70000110.8G219 C224 M225 A253 I257G219-V221 PolarHBondContact O-N 2.79Å; G219-V221 VanDerWaalsContact O-N 3.16Å; V221-C224 PolarHBondContact O-N 2.96Å; V221-M225 PolarHBondContact O-N 3.08Å; V221-A253 HydrophobicContact CG1-CB 4Å; V221-A253 HydrophobicContact CG2-CB 4.11Å; V221-I257 HydrophobicContact CG1-CD1 3.69Å
222Y95Very high93.3Very high79 Ų7937.3 Ų37.331%0.3119%0.194SC..Hα-helixtrans-68.9-38.6177.3-175.4-99.5000111.7V217 G218 G219 C224 M225 R226V217-Y222 WeakPolarHBondContact O-CB 3.42Å; V217-Y222 WeakPolarHBondContact O-CD1 3.23Å; G218-Y222 PolarHBondContact O-N 3.1Å; G219-Y222 PolarHBondContact O-N 3.1Å; Y222-C224 VanDerWaalsContact C-N 3.34Å; Y222-C224 PolarHBondContact O-N 3.42Å; Y222-M225 HydrophobicContact CD2-CE 3.48Å; Y222-M225 VanDerWaalsContact CD2-CE 3.48Å; Y222-M225 HydrophobicContact CE2-CE 3.28Å; Y222-M225 HydrophobicContact CG-CE 4.49Å; Y222-M225 WeakPolarHBondContact O-CB 3.39Å; Y222-M225 PolarHBondContact O-N 3.3Å; Y222-R226 HydrophobicContact CD1-CG 4.39Å; Y222-R226 HydrophobicContact CE1-CG 4Å; Y222-R226 PolarHBondContact O-N 3.29Å
223F95.7Very high93.7Very high32 Ų3242 Ų4214%0.1421%0.209CC..Hα-helixtrans-55.4-49.7170.9-175.8-77.5000111.3I102 A178 P180 T216 G219 E220 M225 R226 L227I102-F223 HydrophobicContact CG2-CZ 3.82Å; A178-F223 HydrophobicContact CB-CE1 3.83Å; A178-F223 HydrophobicContact CB-CZ 4.16Å; P180-F223 HydrophobicContact CB-CB 4.03Å; P180-F223 HydrophobicContact CB-CD1 3.55Å; P180-F223 HydrophobicContact CB-CD2 3.92Å; P180-F223 HydrophobicContact CB-CE1 3.91Å; P180-F223 HydrophobicContact CB-CE2 4.24Å; P180-F223 HydrophobicContact CB-CG 3.56Å; P180-F223 HydrophobicContact CB-CZ 4.23Å; P180-F223 HydrophobicContact CG-CD1 4.15Å; P180-F223 HydrophobicContact CG-CE1 4.5Å; T216-F223 HydrophobicContact CG2-CB 4.44Å; G219-F223 PolarHBondContact O-N 3.48Å; G219-F223 VanDerWaalsContact O-N 3.15Å; E220-F223 PolarHBondContact O-N 3.09Å; F223-M225 VanDerWaalsContact C-N 3.33Å; F223-M225 PolarHBondContact O-N 2.71Å; F223-R226 WeakPolarHBondContact O-CB 3.46Å; F223-R226 PolarHBondContact O-N 2.87Å; F223-L227 PolarHBondContact O-N 3.13Å
224C96.6Very high94Very high0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-60.4-42.3177.4-68.90000111.7E220 V221 Y222 R226 L227 I228 V254E220-C224 WeakPolarHBondContact O-CB 3.38Å; E220-C224 PolarHBondContact O-N 3.16Å; E220-C224 PolarHBondContact O-SG 3.19Å; V221-C224 PolarHBondContact O-N 2.96Å; Y222-C224 VanDerWaalsContact C-N 3.34Å; Y222-C224 PolarHBondContact O-N 3.42Å; C224-R226 VanDerWaalsContact C-N 3.29Å; C224-R226 PolarHBondContact O-N 2.84Å; C224-L227 PolarHBondContact O-N 3.22Å; C224-I228 WeakPolarHBondContact O-CB 3.08Å; C224-I228 WeakPolarHBondContact O-CD1 3.19Å; C224-I228 WeakPolarHBondContact O-CG1 3.16Å; C224-I228 PolarHBondContact O-N 2.92Å; C224-V254 HydrophobicContact CB-CG1 4.09Å; C224-V254 HydrophobicContact CB-CG2 3.71Å
225M96.4Very high94.3Very high29 Ų2943.2 Ų43.214%0.14322%0.215CC..Hα-helixtrans-58.3-41.6176.7-172.9-169.568.100112.1V221 Y222 F223 I228 R229 I257V221-M225 PolarHBondContact O-N 3.08Å; Y222-M225 HydrophobicContact CD2-CE 3.48Å; Y222-M225 VanDerWaalsContact CD2-CE 3.48Å; Y222-M225 HydrophobicContact CE2-CE 3.28Å; Y222-M225 HydrophobicContact CG-CE 4.49Å; Y222-M225 WeakPolarHBondContact O-CB 3.39Å; Y222-M225 PolarHBondContact O-N 3.3Å; F223-M225 VanDerWaalsContact C-N 3.33Å; F223-M225 PolarHBondContact O-N 2.71Å; M225-I228 PolarHBondContact O-N 2.71Å; M225-R229 WeakPolarHBondContact O-CG 3.49Å; M225-R229 PolarHBondContact O-N 2.99Å; M225-I257 HydrophobicContact CB-CD1 4.3Å; M225-I257 HydrophobicContact CB-CG2 4.35Å; M225-I257 HydrophobicContact CG-CG2 4.07Å
226R95.6Very high94.3Very high58 Ų5847.6 Ų47.622%0.21924%0.244CC..Hα-helixtrans-63.1-48.8175.8-72.3-178.856.3-145-13.4111.2N156 Y222 F223 C224 I228 R229 D230N156-R226 VanDerWaalsContact CA-NH2 3.35Å; N156-R226 PolarHBondContact O-NH2 3.17Å; N156-R226 PolarHBondContact OD1-NH1 3.3Å; Y222-R226 HydrophobicContact CD1-CG 4.39Å; Y222-R226 HydrophobicContact CE1-CG 4Å; Y222-R226 PolarHBondContact O-N 3.29Å; F223-R226 WeakPolarHBondContact O-CB 3.46Å; F223-R226 PolarHBondContact O-N 2.87Å; C224-R226 VanDerWaalsContact C-N 3.29Å; C224-R226 PolarHBondContact O-N 2.84Å; R226-I228 VanDerWaalsContact C-N 3.3Å; R226-I228 PolarHBondContact O-N 2.89Å; R226-R229 WeakPolarHBondContact O-CB 3.38Å; R226-R229 PolarHBondContact O-N 3.02Å; R226-R229 VanDerWaalsContact O-N 3.11Å; R226-D230 PolarHBondContact O-N 3.11Å
227L97.2Very high94.6Very high7 Ų748.1 Ų48.14%0.03724%0.241CC..Hα-helixtrans-61.2-38.2177.4-177.655.9000112.3I102 L160 V176 A178 F223 C224 R229 D230 S231 F241 W283I102-L227 HydrophobicContact CD1-CD1 3.68Å; I102-L227 HydrophobicContact CD1-CD2 4.44Å; L160-L227 HydrophobicContact CD1-CD1 4.45Å; V176-L227 HydrophobicContact CG1-CD1 4.32Å; A178-L227 HydrophobicContact CB-CD2 4.47Å; F223-L227 PolarHBondContact O-N 3.13Å; C224-L227 PolarHBondContact O-N 3.22Å; L227-R229 PolarHBondContact O-N 3.46Å; L227-D230 PolarHBondContact O-N 3.15Å; L227-S231 WeakPolarHBondContact O-CB 3.24Å; L227-S231 PolarHBondContact O-N 3.27Å; L227-F241 HydrophobicContact CD1-CD1 4.42Å; L227-W283 HydrophobicContact CB-CH2 4.47Å; L227-W283 HydrophobicContact CD2-CH2 3.82Å; L227-W283 HydrophobicContact CD2-CZ2 4.4Å; L227-W283 HydrophobicContact CG-CH2 3.85Å; L227-W283 HydrophobicContact CG-CZ2 3.99Å
228I97.8Very high94.9Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-61.2-44.1174.5-70.6164.1000110.7C224 M225 R226 D230 S231 I232 V254 I257 L258 F261 I263 W283C224-I228 WeakPolarHBondContact O-CB 3.08Å; C224-I228 WeakPolarHBondContact O-CD1 3.19Å; C224-I228 WeakPolarHBondContact O-CG1 3.16Å; C224-I228 PolarHBondContact O-N 2.92Å; M225-I228 PolarHBondContact O-N 2.71Å; R226-I228 VanDerWaalsContact C-N 3.3Å; R226-I228 PolarHBondContact O-N 2.89Å; I228-D230 VanDerWaalsContact C-N 3.34Å; I228-D230 PolarHBondContact O-N 2.8Å; I228-S231 PolarHBondContact O-N 2.77Å; I228-S231 PolarHBondContact O-OG 2.88Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 2.98Å; I228-V254 HydrophobicContact CD1-CG1 4.28Å; I228-I257 HydrophobicContact CD1-CB 4.36Å; I228-I257 HydrophobicContact CD1-CG2 3.78Å; I228-L258 HydrophobicContact CD1-CD2 3.57Å; I228-L258 HydrophobicContact CD1-CG 3.65Å; I228-L258 HydrophobicContact CG1-CD2 3.6Å; I228-L258 HydrophobicContact CG1-CG 4.26Å; I228-L258 HydrophobicContact CG2-CD2 4.23Å; I228-F261 HydrophobicContact CG2-CB 4.24Å; I228-F261 HydrophobicContact CG2-CD2 3.75Å; I228-F261 HydrophobicContact CG2-CE2 4.39Å; I228-F261 HydrophobicContact CG2-CG 4.1Å; I228-I263 HydrophobicContact CG2-CD1 3.85Å; I228-W283 HydrophobicContact CG1-CH2 4.06Å; I228-W283 HydrophobicContact CG1-CZ2 3.81Å
229R96.5Very high95.3Very high118 Ų11840.6 Ų40.645%0.44519%0.187SC..Hα-helixtrans-61.8-41.4176.6-73.4176.1177.1177.3-0.9112.4M225 R226 L227 F261M225-R229 WeakPolarHBondContact O-CG 3.49Å; M225-R229 PolarHBondContact O-N 2.99Å; R226-R229 WeakPolarHBondContact O-CB 3.38Å; R226-R229 PolarHBondContact O-N 3.02Å; R226-R229 VanDerWaalsContact O-N 3.11Å; L227-R229 PolarHBondContact O-N 3.46Å; R229-F261 HydrophobicContact CG-CE1 4.35Å; R229-F261 HydrophobicContact CG-CZ 3.94Å
230D95.9Very high95.6Very high16 Ų1640.5 Ų40.59%0.08619%0.186CC..Hα-helixtrans-70.9-36.2178-61.1-22.3000110.7L160 R226 L227 I228 I232 R233 Y234L160-D230 HydrophobicContact CD1-CB 3.82Å; R226-D230 PolarHBondContact O-N 3.11Å; L227-D230 PolarHBondContact O-N 3.15Å; I228-D230 VanDerWaalsContact C-N 3.34Å; I228-D230 PolarHBondContact O-N 2.8Å; D230-I232 PolarHBondContact O-N 3.33Å; D230-R233 WeakPolarHBondContact O-CB 3.43Å; D230-R233 PolarHBondContact O-N 2.91Å; D230-R233 IonicContact OD1-CZ 3.81Å; D230-R233 IonicContact OD1-NE 3.15Å; D230-R233 IonicContact OD1-NH2 2.77Å; D230-R233 PolarHBondContact OD1-NH2 2.78Å; D230-Y234 WeakPolarHBondContact O-CD2 3.45Å; D230-Y234 PolarHBondContact O-N 3.38Å
231S97.3Very high95.8Very high0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-58.6-3417879.40000113.3L227 I228 R233 Y234 S235 F241 W283 F285L227-S231 WeakPolarHBondContact O-CB 3.24Å; L227-S231 PolarHBondContact O-N 3.27Å; I228-S231 PolarHBondContact O-N 2.77Å; I228-S231 PolarHBondContact O-OG 2.88Å; S231-R233 VanDerWaalsContact C-N 3.34Å; S231-R233 PolarHBondContact O-N 3.12Å; S231-Y234 CarbonylContact O-C 3.4Å; S231-Y234 PolarHBondContact O-N 2.99Å; S231-S235 WeakPolarHBondContact O-CA 3.42Å; S231-S235 PolarHBondContact O-N 3.11Å; S231-F241 VanDerWaalsContact CA-CZ 3.49Å; S231-F241 VanDerWaalsContact CB-CE1 3.49Å; S231-F241 VanDerWaalsContact CB-CZ 3.43Å; S231-W283 PolarHBondContact OG-NE1 2.83Å; S231-F285 WeakPolarHBondContact O-CE2 3.22Å
232I96.8Very high95.9Very high66 Ų6638.6 Ų38.634%0.33817%0.174SC..Hα-helixtrans-63.6-41.7176.7-64.4164.6000110.7I228 D230 Y234 S235 F261 I263 F285I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 2.98Å; D230-I232 PolarHBondContact O-N 3.33Å; I232-Y234 VanDerWaalsContact C-N 3.27Å; I232-Y234 PolarHBondContact O-N 2.98Å; I232-S235 WeakPolarHBondContact O-CB 3.49Å; I232-S235 PolarHBondContact O-N 2.91Å; I232-S235 PolarHBondContact O-OG 3.48Å; I232-F261 HydrophobicContact CD1-CB 4.04Å; I232-F261 HydrophobicContact CD1-CD1 3.46Å; I232-F261 VanDerWaalsContact CD1-CD1 3.46Å; I232-F261 HydrophobicContact CD1-CE1 4.17Å; I232-F261 HydrophobicContact CD1-CG 3.94Å; I232-I263 HydrophobicContact CG1-CD1 4.49Å; I232-F285 HydrophobicContact CG1-CE1 4.45Å; I232-F285 HydrophobicContact CG1-CZ 4.11Å
233R94.2Very high96.1Very high159 Ų15934.8 Ų34.860%0.616%0.16SC*.Hα-helixtrans-67.2-30.4-179.9-54.9-172.9-134.3177.912.4112.3D230 S231D230-R233 WeakPolarHBondContact O-CB 3.43Å; D230-R233 PolarHBondContact O-N 2.91Å; D230-R233 IonicContact OD1-CZ 3.81Å; D230-R233 IonicContact OD1-NE 3.15Å; D230-R233 IonicContact OD1-NH2 2.77Å; D230-R233 PolarHBondContact OD1-NH2 2.78Å; S231-R233 VanDerWaalsContact C-N 3.34Å; S231-R233 PolarHBondContact O-N 3.12Å
234Y93.8Very high96.2Very high39 Ų3933.3 Ų33.315%0.15315%0.153CC..THydrogen-bonded Turntrans-110.121.4-177.3-63.8-72.5000113.5L160 D161 F164 D230 S231 I232 T236 R237 V238L160-Y234 HydrophobicContact CB-CD2 3.53Å; L160-Y234 HydrophobicContact CB-CE2 3.51Å; L160-Y234 HydrophobicContact CB-CG 4.26Å; L160-Y234 HydrophobicContact CD1-CD2 3.81Å; L160-Y234 HydrophobicContact CD1-CG 4.48Å; L160-Y234 HydrophobicContact CG-CD2 4.2Å; D161-Y234 WeakPolarHBondContact CA-OH 3.28Å; D161-Y234 WeakPolarHBondContact OD1-CE2 3.48Å; D161-Y234 PolarHBondContact OD1-OH 2.91Å; F164-Y234 HydrophobicContact CB-CE1 3.87Å; F164-Y234 AromaticContact CD2-CD1 3.25Å; F164-Y234 HydrophobicContact CD2-CD1 3.25Å; F164-Y234 HydrophobicContact CD2-CD2 4.4Å; F164-Y234 AromaticContact CD2-CE1 3.34Å; F164-Y234 HydrophobicContact CD2-CE1 3.34Å; F164-Y234 HydrophobicContact CD2-CE2 4.47Å; F164-Y234 AromaticContact CD2-CG 3.82Å; F164-Y234 HydrophobicContact CD2-CG 3.82Å; F164-Y234 AromaticContact CD2-CZ 3.98Å; F164-Y234 AromaticContact CE2-CD1 3.54Å; F164-Y234 HydrophobicContact CE2-CD1 3.54Å; F164-Y234 HydrophobicContact CE2-CE1 4.12Å; F164-Y234 AromaticContact CE2-CG 3.79Å; F164-Y234 HydrophobicContact CE2-CG 3.79Å; F164-Y234 HydrophobicContact CG-CD1 4.07Å; F164-Y234 AromaticContact CG-CE1 3.9Å; F164-Y234 HydrophobicContact CG-CE1 3.9Å; D230-Y234 WeakPolarHBondContact O-CD2 3.45Å; D230-Y234 PolarHBondContact O-N 3.38Å; S231-Y234 CarbonylContact O-C 3.4Å; S231-Y234 PolarHBondContact O-N 2.99Å; I232-Y234 VanDerWaalsContact C-N 3.27Å; I232-Y234 PolarHBondContact O-N 2.98Å; Y234-T236 PolarHBondContact O-N 2.79Å; Y234-T236 VanDerWaalsContact O-N 3.11Å; Y234-R237 PolarHBondContact O-N 3.22Å; Y234-V238 PolarHBondContact O-N 3.27Å
235S92.7Very high96.2Very high38 Ų3833.3 Ų33.327%0.26615%0.153SC..THydrogen-bonded Turntrans-56.2-30.1-173.248.80000114.6S231 I232S231-S235 WeakPolarHBondContact O-CA 3.42Å; S231-S235 PolarHBondContact O-N 3.11Å; I232-S235 WeakPolarHBondContact O-CB 3.49Å; I232-S235 PolarHBondContact O-N 2.91Å; I232-S235 PolarHBondContact O-OG 3.48Å
236T92.1Very high96Very high120 Ų12032.5 Ų32.574%0.73615%0.152SC*.THydrogen-bonded Turntrans-93.3-8.3178.458.90000114Y234Y234-T236 PolarHBondContact O-N 2.79Å; Y234-T236 VanDerWaalsContact O-N 3.11Å
237R93.5Very high95.8Very high48 Ų4832 Ų3218%0.18115%0.151CC..THydrogen-bonded Turntrans-108.7-2.1-174.6-61.5-171.168.6177.33.6113.7F164 T171 Y172 L173 Y234F164-R237 HydrophobicContact CE1-CB 4.05Å; F164-R237 HydrophobicContact CE2-CB 4.28Å; F164-R237 HydrophobicContact CZ-CB 3.71Å; T171-R237 PolarHBondContact O-NE 3.26Å; T171-R237 PolarHBondContact O-NH2 3.05Å; Y172-R237 WeakPolarHBondContact CD2-O 3.43Å; L173-R237 PolarHBondContact N-O 3.39Å; Y234-R237 PolarHBondContact O-N 3.22Å
238V95.9Very high95.5Very high1 Ų136.7 Ų36.71%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-130.6132-179.4-178.40000110.2L160 F164 L173 V176 Y234 F241L160-V238 HydrophobicContact CD2-CG2 4.29Å; F164-V238 HydrophobicContact CE2-CG2 4.1Å; F164-V238 HydrophobicContact CZ-CG2 3.99Å; L173-V238 HydrophobicContact CB-CG2 4.31Å; L173-V238 HydrophobicContact CD1-CG2 4.48Å; L173-V238 CarbonylContact O-C 3.51Å; L173-V238 WeakPolarHBondContact O-CA 3.35Å; V176-V238 HydrophobicContact CG2-CG1 3.68Å; V176-V238 HydrophobicContact CG2-CG2 4.26Å; Y234-V238 PolarHBondContact O-N 3.27Å; V238-F241 HydrophobicContact CB-CD2 4.42Å; V238-F241 HydrophobicContact CB-CE1 4.09Å; V238-F241 HydrophobicContact CB-CE2 3.57Å; V238-F241 HydrophobicContact CB-CZ 3.37Å; V238-F241 HydrophobicContact CG1-CD1 4.21Å; V238-F241 HydrophobicContact CG1-CD2 3.97Å; V238-F241 HydrophobicContact CG1-CE1 3.86Å; V238-F241 HydrophobicContact CG1-CE2 3.6Å; V238-F241 HydrophobicContact CG1-CG 4.26Å; V238-F241 HydrophobicContact CG1-CZ 3.54Å; V238-F241 HydrophobicContact CG2-CE1 3.99Å; V238-F241 HydrophobicContact CG2-CE2 4.26Å; V238-F241 HydrophobicContact CG2-CZ 3.53Å
239G96.5Very high95.1Very high0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-71.9-54.4178.300000113.2Y172 L173 D174 T284Y172-G239 WeakPolarHBondContact OH-CA 3.22Å; Y172-G239 PolarHBondContact OH-N 3.24Å; L173-G239 PolarHBondContact O-N 3.18Å; D174-G239 CarbonylContact O-C 3.54Å; D174-G239 WeakPolarHBondContact O-CA 3.37Å; G239-T284 WeakPolarHBondContact O-CB 3.36Å; G239-T284 PolarHBondContact O-OG1 2.92Å
240V97.9Very high95Very high0 Ų035.4 Ų35.40%018%0.181CC..EExtended strand (participates in β ladder)trans-144.7138.6177.865.50000111.8L86 D174 A175 V176 T242 A282 F291L86-V240 HydrophobicContact CB-CG1 4.36Å; D174-V240 PolarHBondContact O-N 3.36Å; A175-V240 CarbonylContact C-O 3.54Å; A175-V240 WeakPolarHBondContact CA-O 3.38Å; A175-V240 HydrophobicContact CB-CG1 3.74Å; V176-V240 PolarHBondContact N-O 3.11Å; V240-T242 HydrophobicContact CG1-CG2 4.49Å; V240-T242 HydrophobicContact CG2-CG2 4.19Å; V240-A282 HydrophobicContact CG2-CB 4.3Å; V240-F291 HydrophobicContact CG2-CE1 4.34Å
241F98.6Very high95Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-100.2137.6171.7-64.3-94.3000109.3L160 V176 L227 S231 V238 A282 W283 F285L160-F241 HydrophobicContact CD1-CE1 3.93Å; V176-F241 HydrophobicContact CB-CD1 3.82Å; V176-F241 HydrophobicContact CB-CE1 4.33Å; V176-F241 HydrophobicContact CG1-CD1 4.26Å; V176-F241 HydrophobicContact CG2-CD1 3.88Å; V176-F241 HydrophobicContact CG2-CE1 3.88Å; L227-F241 HydrophobicContact CD1-CD1 4.42Å; S231-F241 VanDerWaalsContact CA-CZ 3.49Å; S231-F241 VanDerWaalsContact CB-CE1 3.49Å; S231-F241 VanDerWaalsContact CB-CZ 3.43Å; V238-F241 HydrophobicContact CB-CD2 4.42Å; V238-F241 HydrophobicContact CB-CE1 4.09Å; V238-F241 HydrophobicContact CB-CE2 3.57Å; V238-F241 HydrophobicContact CB-CZ 3.37Å; V238-F241 HydrophobicContact CG1-CD1 4.21Å; V238-F241 HydrophobicContact CG1-CD2 3.97Å; V238-F241 HydrophobicContact CG1-CE1 3.86Å; V238-F241 HydrophobicContact CG1-CE2 3.6Å; V238-F241 HydrophobicContact CG1-CG 4.26Å; V238-F241 HydrophobicContact CG1-CZ 3.54Å; V238-F241 HydrophobicContact CG2-CE1 3.99Å; V238-F241 HydrophobicContact CG2-CE2 4.26Å; V238-F241 HydrophobicContact CG2-CZ 3.53Å; F241-A282 CarbonylContact O-C 3.54Å; F241-A282 WeakPolarHBondContact O-CA 3.48Å; F241-W283 HydrophobicContact CB-CD2 3.65Å; F241-W283 HydrophobicContact CB-CE3 4.07Å; F241-W283 HydrophobicContact CB-CG 4.21Å; F241-W283 HydrophobicContact CB-CH2 3.9Å; F241-W283 HydrophobicContact CB-CZ2 3.45Å; F241-W283 VanDerWaalsContact CB-CZ2 3.45Å; F241-W283 HydrophobicContact CB-CZ3 4.18Å; F241-W283 HydrophobicContact CD1-CZ2 4.26Å; F241-W283 AromaticContact CD2-NE1 3.71Å; F241-W283 AromaticContact CG-CE2 3.8Å; F241-W283 AromaticContact CG-CZ2 3.94Å; F241-W283 HydrophobicContact CG-CZ2 3.94Å; F241-W283 AromaticContact CG-NE1 3.73Å; F241-W283 PolarHBondContact N-O 2.99Å; F241-W283 PolarHBondContact O-N 3.15Å; F241-F285 HydrophobicContact CD2-CE2 4.35Å; F241-F285 HydrophobicContact CE2-CD2 4.18Å; F241-F285 AromaticContact CE2-CE2 3.9Å; F241-F285 HydrophobicContact CE2-CE2 3.9Å
242T98.6Very high94.7Very high0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-138.3148.2179.670.40000111.1Y79 W82 L83 L86 V176 M177 A178 V240 V281 A282Y79-T242 WeakPolarHBondContact CE2-OG1 3.48Å; Y79-T242 WeakPolarHBondContact OH-CB 3.5Å; Y79-T242 PolarHBondContact OH-O 3.49Å; Y79-T242 PolarHBondContact OH-OG1 3.45Å; W82-T242 HydrophobicContact CH2-CG2 4.27Å; L83-T242 HydrophobicContact CD1-CG2 3.98Å; L86-T242 HydrophobicContact CD1-CG2 3.52Å; V176-T242 PolarHBondContact O-N 3.06Å; V176-T242 PolarHBondContact O-OG1 2.92Å; M177-T242 WeakPolarHBondContact CA-O 3.46Å; M177-T242 WeakPolarHBondContact CA-OG1 3.43Å; A178-T242 PolarHBondContact N-O 3.26Å; V240-T242 HydrophobicContact CG1-CG2 4.49Å; V240-T242 HydrophobicContact CG2-CG2 4.19Å; T242-V281 CarbonylContact C-O 3.55Å; T242-V281 VanDerWaalsContact CA-O 3.3Å; T242-V281 WeakPolarHBondContact CA-O 3.35Å; T242-A282 HydrophobicContact CG2-CB 3.99Å
243V98.4Very high94.6Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-145.3136.8174.363.80000110.9Y79 A178 P180 L245 G280 V281 W283Y79-V243 WeakPolarHBondContact OH-CA 3.18Å; Y79-V243 PolarHBondContact OH-N 3.29Å; A178-V243 HydrophobicContact CB-CG2 4.21Å; P180-V243 HydrophobicContact CG-CG2 3.73Å; V243-L245 HydrophobicContact CG1-CD2 4.38Å; V243-L245 HydrophobicContact CG2-CD2 4.43Å; V243-G280 CarbonylContact O-C 3.54Å; V243-G280 WeakPolarHBondContact O-CA 3.41Å; V243-V281 HydrophobicContact CG1-CB 3.97Å; V243-V281 PolarHBondContact N-O 2.85Å; V243-V281 PolarHBondContact O-N 2.65Å; V243-W283 HydrophobicContact CG1-CZ3 4.04Å
244M98.1Very high94.7Very high0 Ų028.3 Ų28.30%016%0.163CC..EExtended strand (participates in β ladder)trans-86.5128.7170.8-175.7-178.2-64.200110.7L75 Y79 Y110 A178 P180 M271 R278 W279L75-M244 HydrophobicContact CD1-CE 3.91Å; L75-M244 HydrophobicContact CD1-SD 4.17Å; L75-M244 HydrophobicContact CD2-SD 4.31Å; L75-M244 HydrophobicContact CG-CE 4.23Å; L75-M244 HydrophobicContact CG-SD 4.36Å; Y79-M244 HydrophobicContact CD1-CB 4.22Å; Y79-M244 HydrophobicContact CD1-CE 3.55Å; Y79-M244 HydrophobicContact CE1-CB 3.9Å; Y79-M244 HydrophobicContact CE1-CE 4.37Å; Y79-M244 HydrophobicContact CG-CE 3.92Å; Y110-M244 WeakPolarHBondContact OH-CE 3.44Å; A178-M244 PolarHBondContact O-N 3.05Å; P180-M244 VanDerWaalsContact CD-O 3.23Å; P180-M244 WeakPolarHBondContact CD-O 3.38Å; P180-M244 WeakPolarHBondContact CG-O 3.49Å; M244-M271 HydrophobicContact CB-CE 4.39Å; M244-M271 HydrophobicContact CE-CE 3.75Å; M244-M271 HydrophobicContact CE-SD 3.79Å; M244-M271 HydrophobicContact CG-CE 3.94Å; M244-R278 HydrophobicContact CG-CB 4.04Å; M244-R278 HydrophobicContact CG-CG 4.4Å; M244-R278 HydrophobicContact SD-CB 4.07Å; M244-R278 HydrophobicContact SD-CG 3.96Å; M244-W279 CarbonylContact C-O 3.38Å; M244-W279 WeakPolarHBondContact CA-O 3.36Å
245L96.9Very high94.8Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-105134.4174.9-57.7-179000111.3E220 V243 V251 V254 R278 W279 V281E220-L245 HydrophobicContact CB-CD2 4.28Å; E220-L245 HydrophobicContact CG-CD2 4.28Å; E220-L245 VanDerWaalsContact OE2-CA 3.23Å; E220-L245 WeakPolarHBondContact OE2-CA 3.47Å; V243-L245 HydrophobicContact CG1-CD2 4.38Å; V243-L245 HydrophobicContact CG2-CD2 4.43Å; L245-V251 HydrophobicContact CD1-CG2 3.99Å; L245-V254 HydrophobicContact CD1-CG2 4.22Å; L245-R278 VanDerWaalsContact O-CD 3.32Å; L245-R278 WeakPolarHBondContact O-CD 3.46Å; L245-W279 HydrophobicContact CB-CB 4.42Å; L245-W279 PolarHBondContact N-O 3.36Å; L245-W279 PolarHBondContact O-N 3.14Å; L245-W279 VanDerWaalsContact O-N 3.14Å; L245-V281 HydrophobicContact CD1-CG2 3.54Å; L245-V281 HydrophobicContact CG-CG2 4.24Å
246G92.7Very high94.9Very high12 Ų1233.4 Ų33.412%0.12418%0.176CC..SBendtrans-75.7-34.3174.600000113.3E220E220-G246 PolarHBondContact OE2-N 3.45Å
247K90.6Very high95.1Very high48 Ų4829.2 Ų29.221%0.20915%0.149CC..  trans-117.1138.7-173.3-48.4172.3-167.2176.30112.2F182 D188 E220 S249 S250F182-K247 WeakPolarHBondContact O-CE 3.48Å; F182-K247 PolarHBondContact O-NZ 3.01Å; D188-K247 IonicContact OD1-NZ 3.27Å; D188-K247 PolarHBondContact OD1-NZ 3.44Å; D188-K247 IonicContact OD2-NZ 3.3Å; D188-K247 PolarHBondContact OD2-NZ 3.01Å; E220-K247 WeakPolarHBondContact OE1-CB 3.17Å; E220-K247 VanDerWaalsContact OE1-CG 3.25Å; E220-K247 WeakPolarHBondContact OE1-CG 3.49Å; E220-K247 PolarHBondContact OE1-N 3.33Å; K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 3.39Å; K247-S250 WeakPolarHBondContact O-CB 3.25Å; K247-S250 PolarHBondContact O-N 2.96Å
248K90.9Very high95.3Very high105 Ų10526.9 Ų26.946%0.45714%0.14SC..Hα-helixtrans-62.7-39.3177.9-164.8175.6178.6-174.40112.5S250 V251 W279 W476K248-S250 PolarHBondContact O-N 3.25Å; K248-V251 WeakPolarHBondContact O-CB 3.36Å; K248-V251 WeakPolarHBondContact O-CG2 3.47Å; K248-V251 PolarHBondContact O-N 3.22Å; K248-W279 HydrophobicContact CB-CD2 4.49Å; K248-W279 HydrophobicContact CB-CE3 4.36Å; K248-W279 HydrophobicContact CB-CH2 3.44Å; K248-W279 VanDerWaalsContact CB-CH2 3.44Å; K248-W279 HydrophobicContact CB-CZ2 3.54Å; K248-W279 HydrophobicContact CB-CZ3 3.87Å; K248-W279 HydrophobicContact CD-CH2 4.38Å; K248-W279 HydrophobicContact CD-CZ2 3.81Å; K248-W279 HydrophobicContact CG-CH2 4.01Å; K248-W279 HydrophobicContact CG-CZ2 3.53Å; K248-W476 VanDerWaalsContact CE-CZ2 3.43Å
249S89.4Confident95.3Very high85 Ų8531.6 Ų31.659%0.59416%0.162SC*.Hα-helixtrans-63-27.8179.846.80000112.7K247 V251 S252K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 3.39Å; S249-V251 VanDerWaalsContact C-N 3.27Å; S249-V251 PolarHBondContact O-N 2.82Å; S249-S252 PolarHBondContact O-OG 3.39Å
250S94.5Very high95.2Very high6 Ų640.1 Ų40.14%0.04220%0.199CC..Hα-helixtrans-68-26.5177.8-56.60000112.6E220 K247 K248 S252 A253 V254E220-S250 VanDerWaalsContact CD-OG 3.29Å; E220-S250 WeakPolarHBondContact CG-OG 3.5Å; E220-S250 WeakPolarHBondContact OE1-CB 3.46Å; E220-S250 PolarHBondContact OE1-OG 2.89Å; K247-S250 WeakPolarHBondContact O-CB 3.25Å; K247-S250 PolarHBondContact O-N 2.96Å; K248-S250 PolarHBondContact O-N 3.25Å; S250-S252 PolarHBondContact O-N 3.03Å; S250-A253 PolarHBondContact O-N 3.23Å; S250-V254 WeakPolarHBondContact O-CB 3.45Å; S250-V254 VanDerWaalsContact O-CG2 3.27Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 2.91Å
251V94.8Very high95.1Very high13 Ų1343.6 Ų43.68%0.07921%0.214CC..Hα-helixtrans-59.4-49.2-178.9178.10000111.4L245 K248 S249 V254 R255 V268 W279L245-V251 HydrophobicContact CD1-CG2 3.99Å; K248-V251 WeakPolarHBondContact O-CB 3.36Å; K248-V251 WeakPolarHBondContact O-CG2 3.47Å; K248-V251 PolarHBondContact O-N 3.22Å; S249-V251 VanDerWaalsContact C-N 3.27Å; S249-V251 PolarHBondContact O-N 2.82Å; V251-V254 PolarHBondContact O-N 2.81Å; V251-R255 WeakPolarHBondContact O-CB 3.43Å; V251-R255 WeakPolarHBondContact O-CG 3.4Å; V251-R255 PolarHBondContact O-N 2.62Å; V251-V268 HydrophobicContact CG1-CB 4.45Å; V251-V268 HydrophobicContact CG1-CG1 3.85Å; V251-V268 HydrophobicContact CG1-CG2 3.72Å; V251-W279 HydrophobicContact CG2-CB 3.65Å; V251-W279 HydrophobicContact CG2-CD2 4.18Å; V251-W279 HydrophobicContact CG2-CG 3.65Å
252S91.9Very high95Very high68 Ų6852.4 Ų52.448%0.47625%0.252SS..Hα-helixtrans-67.9-38.3-179.658.50000111.5S249 S250 R256S249-S252 PolarHBondContact O-OG 3.39Å; S250-S252 PolarHBondContact O-N 3.03Å; S252-R256 WeakPolarHBondContact O-CG 3.44Å; S252-R256 PolarHBondContact O-N 3.31Å
253A93.9Very high94.8Very high12 Ų1252.7 Ų52.710%0.09925%0.254CS..Hα-helixtrans-61.9-48.717500000112V221 S250 R256 I257V221-A253 HydrophobicContact CG1-CB 4Å; V221-A253 HydrophobicContact CG2-CB 4.11Å; S250-A253 PolarHBondContact O-N 3.23Å; A253-R256 PolarHBondContact O-N 3.06Å; A253-I257 WeakPolarHBondContact O-CG1 3.36Å; A253-I257 PolarHBondContact O-N 2.95Å
254V96.5Very high94.5Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-64.5-42.7179.5173.90000111.4C224 I228 L245 S250 V251 R256 I257 L258 V281C224-V254 HydrophobicContact CB-CG1 4.09Å; C224-V254 HydrophobicContact CB-CG2 3.71Å; I228-V254 HydrophobicContact CD1-CG1 4.28Å; L245-V254 HydrophobicContact CD1-CG2 4.22Å; S250-V254 WeakPolarHBondContact O-CB 3.45Å; S250-V254 VanDerWaalsContact O-CG2 3.27Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 2.91Å; V251-V254 PolarHBondContact O-N 2.81Å; V254-R256 PolarHBondContact O-N 2.86Å; V254-I257 WeakPolarHBondContact O-CB 3.49Å; V254-I257 PolarHBondContact O-N 2.7Å; V254-I257 VanDerWaalsContact O-N 3.15Å; V254-L258 HydrophobicContact CG1-CD1 4.12Å; V254-L258 WeakPolarHBondContact O-CG 3.43Å; V254-L258 PolarHBondContact O-N 3.35Å; V254-V281 HydrophobicContact CG1-CG1 4.08Å; V254-V281 HydrophobicContact CG1-CG2 4.47Å
255R95.8Very high94.3Very high36 Ų3659.2 Ų59.214%0.13629%0.291CS..Hα-helixtrans-58.1-45.9173.7-76-179.370.4179.95.9112.1V251 I257 L258 H259 I266 V268 D478V251-R255 WeakPolarHBondContact O-CB 3.43Å; V251-R255 WeakPolarHBondContact O-CG 3.4Å; V251-R255 PolarHBondContact O-N 2.62Å; R255-I257 VanDerWaalsContact C-N 3.27Å; R255-I257 PolarHBondContact O-N 3.27Å; R255-L258 PolarHBondContact O-N 3.12Å; R255-H259 PolarHBondContact O-CD2 2.91Å; R255-H259 PolarHBondContact O-N 3.38Å; R255-I266 HydrophobicContact CG-CG2 4.49Å; R255-V268 HydrophobicContact CG-CG2 4.35Å; R255-D478 IonicContact CZ-OD1 3.51Å; R255-D478 IonicContact NH1-OD1 3.29Å; R255-D478 PolarHBondContact NH1-OD1 3.4Å
256R95.2Very high94.3Very high147 Ų14759.7 Ų59.756%0.55529%0.293SS*.Hα-helixtrans-58.5-40.1175.9-74.5-172.7-63.1175.20.7111.9S252 A253 V254 K260S252-R256 WeakPolarHBondContact O-CG 3.44Å; S252-R256 PolarHBondContact O-N 3.31Å; A253-R256 PolarHBondContact O-N 3.06Å; V254-R256 PolarHBondContact O-N 2.86Å; R256-K260 WeakPolarHBondContact O-CB 3.43Å; R256-K260 PolarHBondContact O-N 3.46Å
257I96.8Very high94.5Very high32 Ų3259.5 Ų59.516%0.16429%0.29CS..Hα-helixtrans-64.3-48.2176.1-65.8165.2000110.6V221 M225 I228 A253 V254 R255 H259 K260 F261V221-I257 HydrophobicContact CG1-CD1 3.69Å; M225-I257 HydrophobicContact CB-CD1 4.3Å; M225-I257 HydrophobicContact CB-CG2 4.35Å; M225-I257 HydrophobicContact CG-CG2 4.07Å; I228-I257 HydrophobicContact CD1-CB 4.36Å; I228-I257 HydrophobicContact CD1-CG2 3.78Å; A253-I257 WeakPolarHBondContact O-CG1 3.36Å; A253-I257 PolarHBondContact O-N 2.95Å; V254-I257 WeakPolarHBondContact O-CB 3.49Å; V254-I257 PolarHBondContact O-N 2.7Å; V254-I257 VanDerWaalsContact O-N 3.15Å; R255-I257 VanDerWaalsContact C-N 3.27Å; R255-I257 PolarHBondContact O-N 3.27Å; I257-H259 PolarHBondContact O-N 3.16Å; I257-K260 WeakPolarHBondContact O-CB 3.42Å; I257-K260 PolarHBondContact O-N 3.36Å; I257-K260 VanDerWaalsContact O-N 3.14Å; I257-F261 HydrophobicContact CG2-CD2 3.86Å; I257-F261 HydrophobicContact CG2-CE2 3.87Å; I257-F261 VanDerWaalsContact O-CD2 3.28Å; I257-F261 WeakPolarHBondContact O-CD2 3.42Å; I257-F261 PolarHBondContact O-N 3.43Å; I257-F261 VanDerWaalsContact O-N 3.07Å
258L97.6Very high94.7Very high0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-56.1-48.1177-72.6163.2000111.8I228 V254 R255 K260 F261 K262 I263 I266 V281 W283I228-L258 HydrophobicContact CD1-CD2 3.57Å; I228-L258 HydrophobicContact CD1-CG 3.65Å; I228-L258 HydrophobicContact CG1-CD2 3.6Å; I228-L258 HydrophobicContact CG1-CG 4.26Å; I228-L258 HydrophobicContact CG2-CD2 4.23Å; V254-L258 HydrophobicContact CG1-CD1 4.12Å; V254-L258 WeakPolarHBondContact O-CG 3.43Å; V254-L258 PolarHBondContact O-N 3.35Å; R255-L258 PolarHBondContact O-N 3.12Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; L258-F261 CarbonylContact O-C 3.6Å; L258-F261 WeakPolarHBondContact O-CA 3.46Å; L258-F261 PolarHBondContact O-N 3.2Å; L258-F261 VanDerWaalsContact O-N 3.1Å; L258-K262 PolarHBondContact O-N 3.36Å; L258-I263 HydrophobicContact CB-CB 4.46Å; L258-I263 HydrophobicContact CD2-CB 4.29Å; L258-I263 HydrophobicContact CD2-CD1 3.78Å; L258-I263 HydrophobicContact CD2-CG2 4.22Å; L258-I263 PolarHBondContact O-N 3.22Å; L258-I263 VanDerWaalsContact O-N 3.08Å; L258-I266 HydrophobicContact CB-CD1 3.47Å; L258-I266 VanDerWaalsContact CB-CD1 3.47Å; L258-I266 HydrophobicContact CB-CG1 4.22Å; L258-I266 HydrophobicContact CD1-CD1 3.97Å; L258-I266 HydrophobicContact CD1-CG1 4.06Å; L258-I266 HydrophobicContact CD1-CG2 3.76Å; L258-I266 HydrophobicContact CG-CD1 4.29Å; L258-V281 HydrophobicContact CD1-CG1 3.83Å; L258-W283 HydrophobicContact CD1-CE3 4.47Å; L258-W283 HydrophobicContact CD2-CB 4.1Å; L258-W283 HydrophobicContact CD2-CD2 3.75Å; L258-W283 HydrophobicContact CD2-CE3 4.15Å; L258-W283 HydrophobicContact CD2-CG 3.73Å
259H95.1Very high94.9Very high100 Ų10053.8 Ų53.846%0.46327%0.267SS..Hα-helixtrans-62.1-38.9176.3-73.6-64000112.6R255 I257 F261 K262R255-H259 PolarHBondContact O-CD2 2.91Å; R255-H259 PolarHBondContact O-N 3.38Å; I257-H259 PolarHBondContact O-N 3.16Å; H259-F261 PolarHBondContact O-N 2.89Å; H259-K262 WeakPolarHBondContact O-CA 3.25Å; H259-K262 PolarHBondContact O-N 3.27Å
260K95.8Very high95.2Very high179 Ų17950.4 Ų50.478%0.77824%0.241SC*.Hα-helixtrans-61.6-31.9175.1-175174.5-178.5173.50112.3R256 I257 L258 K262R256-K260 WeakPolarHBondContact O-CB 3.43Å; R256-K260 PolarHBondContact O-N 3.46Å; I257-K260 WeakPolarHBondContact O-CB 3.42Å; I257-K260 PolarHBondContact O-N 3.36Å; I257-K260 VanDerWaalsContact O-N 3.14Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; K260-K262 VanDerWaalsContact C-N 3.27Å
261F95.6Very high95.2Very high72 Ų7250.2 Ų50.232%0.31624%0.24SC..THydrogen-bonded Turntrans-86.110.2172.6-76.9-74.7000113.8I228 R229 I232 I257 L258 H259 I263I228-F261 HydrophobicContact CG2-CB 4.24Å; I228-F261 HydrophobicContact CG2-CD2 3.75Å; I228-F261 HydrophobicContact CG2-CE2 4.39Å; I228-F261 HydrophobicContact CG2-CG 4.1Å; R229-F261 HydrophobicContact CG-CE1 4.35Å; R229-F261 HydrophobicContact CG-CZ 3.94Å; I232-F261 HydrophobicContact CD1-CB 4.04Å; I232-F261 HydrophobicContact CD1-CD1 3.46Å; I232-F261 VanDerWaalsContact CD1-CD1 3.46Å; I232-F261 HydrophobicContact CD1-CE1 4.17Å; I232-F261 HydrophobicContact CD1-CG 3.94Å; I257-F261 HydrophobicContact CG2-CD2 3.86Å; I257-F261 HydrophobicContact CG2-CE2 3.87Å; I257-F261 VanDerWaalsContact O-CD2 3.28Å; I257-F261 WeakPolarHBondContact O-CD2 3.42Å; I257-F261 PolarHBondContact O-N 3.43Å; I257-F261 VanDerWaalsContact O-N 3.07Å; L258-F261 CarbonylContact O-C 3.6Å; L258-F261 WeakPolarHBondContact O-CA 3.46Å; L258-F261 PolarHBondContact O-N 3.2Å; L258-F261 VanDerWaalsContact O-N 3.1Å; H259-F261 PolarHBondContact O-N 2.89Å; F261-I263 HydrophobicContact CB-CD1 4.33Å; F261-I263 HydrophobicContact CB-CG1 4.5Å; F261-I263 PolarHBondContact O-N 3.26Å
262K95.2Very high95Very high186 Ų18650.2 Ų50.281%0.80924%0.24SC*.THydrogen-bonded Turntrans59.925.2179.2-53.6-177.8178.6-178.10114.4L258 H259 K260L258-K262 PolarHBondContact O-N 3.36Å; H259-K262 WeakPolarHBondContact O-CA 3.25Å; H259-K262 PolarHBondContact O-N 3.27Å; K260-K262 VanDerWaalsContact C-N 3.27Å
263I95.8Very high94.6Very high5 Ų547.8 Ų47.83%0.02622%0.222CC..  trans-82.8121.3170.5-61.3166.3000106.8I228 I232 L258 F261 I266 W283 F285I228-I263 HydrophobicContact CG2-CD1 3.85Å; I232-I263 HydrophobicContact CG1-CD1 4.49Å; L258-I263 HydrophobicContact CB-CB 4.46Å; L258-I263 HydrophobicContact CD2-CB 4.29Å; L258-I263 HydrophobicContact CD2-CD1 3.78Å; L258-I263 HydrophobicContact CD2-CG2 4.22Å; L258-I263 PolarHBondContact O-N 3.22Å; L258-I263 VanDerWaalsContact O-N 3.08Å; F261-I263 HydrophobicContact CB-CD1 4.33Å; F261-I263 HydrophobicContact CB-CG1 4.5Å; F261-I263 PolarHBondContact O-N 3.26Å; I263-I266 HydrophobicContact CG2-CG1 4.16Å; I263-I266 VanDerWaalsContact O-CD1 3.3Å; I263-I266 WeakPolarHBondContact O-CD1 3.42Å; I263-W283 HydrophobicContact CG2-CB 3.87Å; I263-W283 HydrophobicContact CG2-CG 4.21Å; I263-F285 HydrophobicContact CD1-CE1 4.29Å; I263-F285 HydrophobicContact CD1-CZ 3.99Å; I263-F285 HydrophobicContact CG1-CE1 3.94Å; I263-F285 HydrophobicContact CG1-CZ 4.15Å
264T90.6Very high94.2Very high95 Ų9551.2 Ų51.258%0.58326%0.258SS*.  trans-108.6-29.5-174.353.70000113.1I266T264-I266 PolarHBondContact O-N 3.37Å; T264-I266 VanDerWaalsContact O-N 3.11Å
265Q95.7Very high93.7Very high43 Ų4359.4 Ų59.420%0.20129%0.289CS..EExtended strand (participates in β ladder)trans-82.489.5177.5-60.6-71.6-6800109.2W283 T284 L286 F291Q265-W283 WeakPolarHBondContact O-CA 3.42Å; Q265-W283 WeakPolarHBondContact O-CB 3.26Å; Q265-T284 HydrophobicContact CB-CG2 3.77Å; Q265-T284 PolarHBondContact O-N 3.15Å; Q265-T284 VanDerWaalsContact O-N 3.13Å; Q265-L286 WeakPolarHBondContact CG-O 3.33Å; Q265-F291 HydrophobicContact CB-CE2 4.21Å
266I96.6Very high93.2Very high9 Ų960.2 Ų60.25%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-128.1146.4-174.8-55.3165.8000109R255 L258 I263 T264 V281 A282 W283R255-I266 HydrophobicContact CG-CG2 4.49Å; L258-I266 HydrophobicContact CB-CD1 3.47Å; L258-I266 VanDerWaalsContact CB-CD1 3.47Å; L258-I266 HydrophobicContact CB-CG1 4.22Å; L258-I266 HydrophobicContact CD1-CD1 3.97Å; L258-I266 HydrophobicContact CD1-CG1 4.06Å; L258-I266 HydrophobicContact CD1-CG2 3.76Å; L258-I266 HydrophobicContact CG-CD1 4.29Å; I263-I266 HydrophobicContact CG2-CG1 4.16Å; I263-I266 VanDerWaalsContact O-CD1 3.3Å; I263-I266 WeakPolarHBondContact O-CD1 3.42Å; T264-I266 PolarHBondContact O-N 3.37Å; T264-I266 VanDerWaalsContact O-N 3.11Å; I266-V281 HydrophobicContact CG2-CG1 4.41Å; I266-A282 CarbonylContact C-O 3.56Å; I266-A282 WeakPolarHBondContact CA-O 3.21Å; I266-W283 HydrophobicContact CG1-CB 4.4Å
267S95.8Very high93.1Very high8 Ų856.9 Ų56.96%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-140.5153.5167.4-178.90000112.2V281 A282 F291S267-V281 WeakPolarHBondContact O-CA 3.03Å; S267-A282 PolarHBondContact N-O 3.03Å; S267-A282 PolarHBondContact O-N 3.03Å; S267-F291 VanDerWaalsContact CB-CB 3.45Å; S267-F291 VanDerWaalsContact CB-CD1 3.44Å
268V94.8Very high93Very high23 Ų2358 Ų5814%0.13929%0.289CS..EExtended strand (participates in β ladder)trans-118126.4170.8-177.30000108.8V251 R255 W279 G280V251-V268 HydrophobicContact CG1-CB 4.45Å; V251-V268 HydrophobicContact CG1-CG1 3.85Å; V251-V268 HydrophobicContact CG1-CG2 3.72Å; R255-V268 HydrophobicContact CG-CG2 4.35Å; V268-W279 HydrophobicContact CG1-CB 4.49Å; V268-G280 CarbonylContact C-O 3.5Å; V268-G280 VanDerWaalsContact CA-O 3.31Å; V268-G280 WeakPolarHBondContact CA-O 3.47Å
269Y95.9Very high93Very high11 Ų1159 Ų594%0.04329%0.293CS..EExtended strand (participates in β ladder)trans-113.6146.8177.7-162-90.9000110.7H2 W82 M271 W279 G280H2-Y269 PolarHBondContact CD2-OH 3.2Å; W82-Y269 HydrophobicContact CB-CD1 4.19Å; W82-Y269 HydrophobicContact CB-CE1 4.08Å; W82-Y269 AromaticContact CD1-CD1 3.89Å; W82-Y269 AromaticContact CD1-CD2 3.35Å; W82-Y269 AromaticContact CD1-CE2 3.57Å; W82-Y269 AromaticContact CD1-CG 3.52Å; W82-Y269 AromaticContact CD1-CZ 3.96Å; W82-Y269 AromaticContact CD2-CD1 3.97Å; W82-Y269 HydrophobicContact CD2-CD1 3.97Å; W82-Y269 HydrophobicContact CD2-CD2 4.41Å; W82-Y269 AromaticContact CD2-CG 3.82Å; W82-Y269 HydrophobicContact CD2-CG 3.82Å; W82-Y269 AromaticContact CE2-CG 3.63Å; W82-Y269 AromaticContact CG-CD1 3.74Å; W82-Y269 HydrophobicContact CG-CD1 3.74Å; W82-Y269 HydrophobicContact CG-CD2 4.04Å; W82-Y269 HydrophobicContact CG-CE1 4.02Å; W82-Y269 HydrophobicContact CG-CE2 4.27Å; W82-Y269 AromaticContact CG-CG 3.76Å; W82-Y269 HydrophobicContact CG-CG 3.76Å; W82-Y269 HydrophobicContact CZ2-CG 4.32Å; W82-Y269 AromaticContact NE1-CD2 3.3Å; W82-Y269 VanDerWaalsContact NE1-CD2 3.3Å; W82-Y269 AromaticContact NE1-CE2 3.99Å; W82-Y269 AromaticContact NE1-CG 3.42Å; Y269-M271 HydrophobicContact CD1-CG 3.99Å; Y269-M271 HydrophobicContact CE1-CG 4.28Å; Y269-W279 CarbonylContact O-C 3.52Å; Y269-W279 VanDerWaalsContact O-CA 3.29Å; Y269-W279 WeakPolarHBondContact O-CA 3.46Å; Y269-G280 PolarHBondContact N-O 3.41Å; Y269-G280 PolarHBondContact O-N 2.74Å
270E94.8Very high93.1Very high13 Ų1354.3 Ų54.36%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-111.8126.1-179.7-68.7-179.3161.800111F296 R300E270-F296 HydrophobicContact CB-CB 4.42Å; E270-F296 HydrophobicContact CB-CD2 4.35Å; E270-F296 WeakPolarHBondContact OE2-CB 3.43Å; E270-R300 IonicContact OE1-CZ 2.69Å; E270-R300 VanDerWaalsContact OE1-CZ 3.27Å; E270-R300 IonicContact OE1-NH1 2.7Å; E270-R300 PolarHBondContact OE1-NH1 3.32Å; E270-R300 VanDerWaalsContact OE1-NH1 3.17Å; E270-R300 IonicContact OE1-NH2 3.93Å; E270-R300 PolarHBondContact OE1-NH2 2.78Å; E270-R300 IonicContact OE2-CZ 3.64Å; E270-R300 VanDerWaalsContact OE2-CZ 3.3Å; E270-R300 IonicContact OE2-NE 3.71Å; E270-R300 IonicContact OE2-NH1 3.2Å; E270-R300 IonicContact OE2-NH2 2.86Å; E270-R300 PolarHBondContact OE2-NH2 3.49Å
271M94.6Very high93.2Very high2 Ų245.8 Ų45.81%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-115.3114.6179.7-66.9176.8-8600109.7L75 N78 Y79 W82 M244 Y269 M277 R278L75-M271 HydrophobicContact CD1-CB 4.12Å; N78-M271 HydrophobicContact CB-CB 4.25Å; N78-M271 HydrophobicContact CB-CG 4.09Å; N78-M271 HydrophobicContact CB-SD 4.27Å; Y79-M271 HydrophobicContact CG-SD 4.36Å; W82-M271 HydrophobicContact CE3-CE 4.37Å; M244-M271 HydrophobicContact CB-CE 4.39Å; M244-M271 HydrophobicContact CE-CE 3.75Å; M244-M271 HydrophobicContact CE-SD 3.79Å; M244-M271 HydrophobicContact CG-CE 3.94Å; Y269-M271 HydrophobicContact CD1-CG 3.99Å; Y269-M271 HydrophobicContact CE1-CG 4.28Å; M271-M277 WeakPolarHBondContact O-CA 3.49Å; M271-R278 HydrophobicContact CB-CB 4.34Å; M271-R278 PolarHBondContact N-O 3.48Å; M271-R278 PolarHBondContact O-N 3.22Å
272C90.3Very high93.3Very high13 Ų1342.3 Ų42.39%0.08822%0.219CC..EExtended strand (participates in β ladder)trans-124.4131-174.9-51.30000111.8M1 F296M1-C272 WeakPolarHBondContact CA-O 3.43Å; M1-C272 VanDerWaalsContact CG-O 3.23Å; M1-C272 WeakPolarHBondContact CG-O 3.41Å; M1-C272 PolarHBondContact N-O 2.87Å; C272-F296 HydrophobicContact CB-CD2 4.46Å; C272-F296 HydrophobicContact CB-CE1 4.04Å; C272-F296 HydrophobicContact CB-CE2 3.64Å; C272-F296 HydrophobicContact CB-CZ 3.4Å; C272-F296 VanDerWaalsContact CB-CZ 3.4Å; C272-F296 VanDerWaalsContact SG-CE2 3.53Å
273Q84.7Confident93.5Very high18 Ų1833.5 Ų33.58%0.08418%0.18CC..EExtended strand (participates in β ladder)trans-143113.8172.756.8-67.3-37.800109.9M1 L75 N78 R275 I276M1-Q273 HydrophobicContact CE-CB 3.86Å; M1-Q273 HydrophobicContact CG-CB 4.17Å; L75-Q273 HydrophobicContact CB-CG 3.96Å; N78-Q273 PolarHBondContact ND2-OE1 3.2Å; N78-Q273 VanDerWaalsContact ND2-OE1 3.15Å; Q273-R275 PolarHBondContact O-N 3.36Å; Q273-I276 PolarHBondContact N-O 3.03Å; Q273-I276 VanDerWaalsContact NE2-CG2 3.3Å; Q273-I276 PolarHBondContact NE2-O 3.03Å; Q273-I276 PolarHBondContact O-N 3.23Å
274G85Confident93.5Very high83 Ų8333.3 Ų33.386%0.85618%0.18SC*.THydrogen-bonded Turntrans55.2-123.7-171.600000111.1
275R85Confident93.8Very high172 Ų17232.1 Ų32.165%0.64917%0.166SC*.THydrogen-bonded Turntrans-88.2-11.4179.1-59.1-177.3-170177.63.3114.1Q273Q273-R275 PolarHBondContact O-N 3.36Å
276I87Confident93.7Very high53 Ų5332.9 Ų32.927%0.27217%0.172SC..EExtended strand (participates in β ladder)trans-88.7121.9-176.2-58.3178.7000107.7Q273Q273-I276 PolarHBondContact N-O 3.03Å; Q273-I276 VanDerWaalsContact NE2-CG2 3.3Å; Q273-I276 PolarHBondContact NE2-O 3.03Å; Q273-I276 PolarHBondContact O-N 3.23Å
277M92Very high93.5Very high78 Ų7837.1 Ų37.138%0.38420%0.2SC..EExtended strand (participates in β ladder)trans-112.1141.1171.5-168174.9-72.600109.1M271 W279M271-M277 WeakPolarHBondContact O-CA 3.49Å; M277-W279 HydrophobicContact CB-CH2 4.18Å; M277-W279 HydrophobicContact CB-CZ2 4.32Å; M277-W279 HydrophobicContact CG-CH2 4.05Å; M277-W279 HydrophobicContact CG-CZ2 3.71Å; M277-W279 HydrophobicContact SD-CH2 4.22Å; M277-W279 HydrophobicContact SD-CZ2 3.47Å; M277-W279 WeakPolarHBondContact SD-CZ2 3.24Å
278R95.2Very high93.3Very high56 Ų5642.7 Ų42.721%0.21123%0.229CC..EExtended strand (participates in β ladder)trans-134.8158.1172.3-65.6-66.5-178.6-96.33.4108.5L75 M244 L245 M271L75-R278 HydrophobicContact CD1-CB 4.13Å; L75-R278 HydrophobicContact CD1-CG 3.9Å; L75-R278 HydrophobicContact CD2-CG 3.86Å; M244-R278 HydrophobicContact CG-CB 4.04Å; M244-R278 HydrophobicContact CG-CG 4.4Å; M244-R278 HydrophobicContact SD-CB 4.07Å; M244-R278 HydrophobicContact SD-CG 3.96Å; L245-R278 VanDerWaalsContact O-CD 3.32Å; L245-R278 WeakPolarHBondContact O-CD 3.46Å; M271-R278 HydrophobicContact CB-CB 4.34Å; M271-R278 PolarHBondContact N-O 3.48Å; M271-R278 PolarHBondContact O-N 3.22Å
279W96.5Very high93.2Very high21 Ų2142.3 Ų42.38%0.0823%0.225CC..EExtended strand (participates in β ladder)trans-117.8139.3177.1-61.4-92.1000109M244 L245 K248 V251 V268 Y269 M277M244-W279 CarbonylContact C-O 3.38Å; M244-W279 WeakPolarHBondContact CA-O 3.36Å; L245-W279 HydrophobicContact CB-CB 4.42Å; L245-W279 PolarHBondContact N-O 3.36Å; L245-W279 PolarHBondContact O-N 3.14Å; L245-W279 VanDerWaalsContact O-N 3.14Å; K248-W279 HydrophobicContact CB-CD2 4.49Å; K248-W279 HydrophobicContact CB-CE3 4.36Å; K248-W279 HydrophobicContact CB-CH2 3.44Å; K248-W279 VanDerWaalsContact CB-CH2 3.44Å; K248-W279 HydrophobicContact CB-CZ2 3.54Å; K248-W279 HydrophobicContact CB-CZ3 3.87Å; K248-W279 HydrophobicContact CD-CH2 4.38Å; K248-W279 HydrophobicContact CD-CZ2 3.81Å; K248-W279 HydrophobicContact CG-CH2 4.01Å; K248-W279 HydrophobicContact CG-CZ2 3.53Å; V251-W279 HydrophobicContact CG2-CB 3.65Å; V251-W279 HydrophobicContact CG2-CD2 4.18Å; V251-W279 HydrophobicContact CG2-CG 3.65Å; V268-W279 HydrophobicContact CG1-CB 4.49Å; Y269-W279 CarbonylContact O-C 3.52Å; Y269-W279 VanDerWaalsContact O-CA 3.29Å; Y269-W279 WeakPolarHBondContact O-CA 3.46Å; M277-W279 HydrophobicContact CB-CH2 4.18Å; M277-W279 HydrophobicContact CB-CZ2 4.32Å; M277-W279 HydrophobicContact CG-CH2 4.05Å; M277-W279 HydrophobicContact CG-CZ2 3.71Å; M277-W279 HydrophobicContact SD-CH2 4.22Å; M277-W279 HydrophobicContact SD-CZ2 3.47Å; M277-W279 WeakPolarHBondContact SD-CZ2 3.24Å
280G97.4Very high93.1Very high0 Ų047.5 Ų47.50%025%0.25CS..EExtended strand (participates in β ladder)trans-98.9132165.900000108.4W82 V243 V268 Y269W82-G280 VanDerWaalsContact CZ3-CA 3.47Å; V243-G280 CarbonylContact O-C 3.54Å; V243-G280 WeakPolarHBondContact O-CA 3.41Å; V268-G280 CarbonylContact C-O 3.5Å; V268-G280 VanDerWaalsContact CA-O 3.31Å; V268-G280 WeakPolarHBondContact CA-O 3.47Å; Y269-G280 PolarHBondContact N-O 3.41Å; Y269-G280 PolarHBondContact O-N 2.74Å
281V98.1Very high93.2Very high0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-107.6128.3165.3179.90000107.3T242 V243 L245 V254 L258 I266 S267 W283T242-V281 CarbonylContact C-O 3.55Å; T242-V281 VanDerWaalsContact CA-O 3.3Å; T242-V281 WeakPolarHBondContact CA-O 3.35Å; V243-V281 HydrophobicContact CG1-CB 3.97Å; V243-V281 PolarHBondContact N-O 2.85Å; V243-V281 PolarHBondContact O-N 2.65Å; L245-V281 HydrophobicContact CD1-CG2 3.54Å; L245-V281 HydrophobicContact CG-CG2 4.24Å; V254-V281 HydrophobicContact CG1-CG1 4.08Å; V254-V281 HydrophobicContact CG1-CG2 4.47Å; L258-V281 HydrophobicContact CD1-CG1 3.83Å; I266-V281 HydrophobicContact CG2-CG1 4.41Å; S267-V281 WeakPolarHBondContact O-CA 3.03Å; V281-W283 HydrophobicContact CG1-CE3 4.39Å
282A98.4Very high93.1Very high0 Ų049.4 Ų49.40%026%0.26CS..EExtended strand (participates in β ladder)trans-120.6146.6174.900000110.5W82 L86 V240 F241 T242 I266 S267 F291W82-A282 HydrophobicContact CH2-CB 3.85Å; W82-A282 HydrophobicContact CZ2-CB 3.65Å; L86-A282 HydrophobicContact CD1-CB 4.37Å; V240-A282 HydrophobicContact CG2-CB 4.3Å; F241-A282 CarbonylContact O-C 3.54Å; F241-A282 WeakPolarHBondContact O-CA 3.48Å; T242-A282 HydrophobicContact CG2-CB 3.99Å; I266-A282 CarbonylContact C-O 3.56Å; I266-A282 WeakPolarHBondContact CA-O 3.21Å; S267-A282 PolarHBondContact N-O 3.03Å; S267-A282 PolarHBondContact O-N 3.03Å; A282-F291 HydrophobicContact CB-CD1 4.16Å; A282-F291 HydrophobicContact CB-CE1 3.76Å
283W98.4Very high93Very high0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-147.2155.5169.568.897.2000111.5L227 I228 S231 F241 V243 L258 I263 Q265 I266 V281L227-W283 HydrophobicContact CB-CH2 4.47Å; L227-W283 HydrophobicContact CD2-CH2 3.82Å; L227-W283 HydrophobicContact CD2-CZ2 4.4Å; L227-W283 HydrophobicContact CG-CH2 3.85Å; L227-W283 HydrophobicContact CG-CZ2 3.99Å; I228-W283 HydrophobicContact CG1-CH2 4.06Å; I228-W283 HydrophobicContact CG1-CZ2 3.81Å; S231-W283 PolarHBondContact OG-NE1 2.83Å; F241-W283 HydrophobicContact CB-CD2 3.65Å; F241-W283 HydrophobicContact CB-CE3 4.07Å; F241-W283 HydrophobicContact CB-CG 4.21Å; F241-W283 HydrophobicContact CB-CH2 3.9Å; F241-W283 HydrophobicContact CB-CZ2 3.45Å; F241-W283 VanDerWaalsContact CB-CZ2 3.45Å; F241-W283 HydrophobicContact CB-CZ3 4.18Å; F241-W283 HydrophobicContact CD1-CZ2 4.26Å; F241-W283 AromaticContact CD2-NE1 3.71Å; F241-W283 AromaticContact CG-CE2 3.8Å; F241-W283 AromaticContact CG-CZ2 3.94Å; F241-W283 HydrophobicContact CG-CZ2 3.94Å; F241-W283 AromaticContact CG-NE1 3.73Å; F241-W283 PolarHBondContact N-O 2.99Å; F241-W283 PolarHBondContact O-N 3.15Å; V243-W283 HydrophobicContact CG1-CZ3 4.04Å; L258-W283 HydrophobicContact CD1-CE3 4.47Å; L258-W283 HydrophobicContact CD2-CB 4.1Å; L258-W283 HydrophobicContact CD2-CD2 3.75Å; L258-W283 HydrophobicContact CD2-CE3 4.15Å; L258-W283 HydrophobicContact CD2-CG 3.73Å; I263-W283 HydrophobicContact CG2-CB 3.87Å; I263-W283 HydrophobicContact CG2-CG 4.21Å; Q265-W283 WeakPolarHBondContact O-CA 3.42Å; Q265-W283 WeakPolarHBondContact O-CB 3.26Å; I266-W283 HydrophobicContact CG1-CB 4.4Å; V281-W283 HydrophobicContact CG1-CE3 4.39Å
284T97.5Very high93.2Very high2 Ų252.2 Ų52.21%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-143.4165176.2-176.50000110.6G239 Q265 L286 F289 F291G239-T284 WeakPolarHBondContact O-CB 3.36Å; G239-T284 PolarHBondContact O-OG1 2.92Å; Q265-T284 HydrophobicContact CB-CG2 3.77Å; Q265-T284 PolarHBondContact O-N 3.15Å; Q265-T284 VanDerWaalsContact O-N 3.13Å; T284-L286 HydrophobicContact CG2-CB 4.2Å; T284-L286 WeakPolarHBondContact OG1-CB 3.34Å; T284-L286 WeakPolarHBondContact OG1-CG 3.45Å; T284-L286 PolarHBondContact OG1-N 3.24Å; T284-F289 HydrophobicContact CG2-CB 3.59Å; T284-F289 HydrophobicContact CG2-CD1 4.08Å; T284-F289 HydrophobicContact CG2-CG 3.81Å; T284-F291 HydrophobicContact CG2-CZ 3.93Å
285F96.3Very high93.1Very high69 Ų6949.6 Ų49.630%0.30324%0.239SC..SBendtrans-102.9-0.2169.8-60.4-89.8000111.8S231 I232 F241 I263S231-F285 WeakPolarHBondContact O-CE2 3.22Å; I232-F285 HydrophobicContact CG1-CE1 4.45Å; I232-F285 HydrophobicContact CG1-CZ 4.11Å; F241-F285 HydrophobicContact CD2-CE2 4.35Å; F241-F285 HydrophobicContact CE2-CD2 4.18Å; F241-F285 AromaticContact CE2-CE2 3.9Å; F241-F285 HydrophobicContact CE2-CE2 3.9Å; I263-F285 HydrophobicContact CD1-CE1 4.29Å; I263-F285 HydrophobicContact CD1-CZ 3.99Å; I263-F285 HydrophobicContact CG1-CE1 3.94Å; I263-F285 HydrophobicContact CG1-CZ 4.15Å
286L94.5Very high93Very high59 Ų5944.6 Ų44.631%0.30922%0.222SC..SBendtrans-73128.6174.5-61.5176000109.9L90 Q265 T284 F289L90-L286 HydrophobicContact CD2-CD1 3.56Å; Q265-L286 WeakPolarHBondContact CG-O 3.33Å; T284-L286 HydrophobicContact CG2-CB 4.2Å; T284-L286 WeakPolarHBondContact OG1-CB 3.34Å; T284-L286 WeakPolarHBondContact OG1-CG 3.45Å; T284-L286 PolarHBondContact OG1-N 3.24Å; L286-F289 HydrophobicContact CD1-CD2 4.39Å
287P92.1Very high92.7Very high99 Ų9943.8 Ų43.864%0.64322%0.215SC*.THydrogen-bonded Turntrans-69145.9178.528.9-34.2000111.3F289P287-F289 VanDerWaalsContact C-N 3.26Å; P287-F289 PolarHBondContact O-N 3.01Å
288N90Very high92.1Very high125 Ų12546.1 Ų46.167%0.66822%0.22SC*.THydrogen-bonded Turntrans54.937.9174.1-47.8-29.7000113.4Q290N288-Q290 PolarHBondContact O-N 2.94Å
289F94.4Very high91.2Very high14 Ų1447.4 Ų47.46%0.06123%0.23CC..  trans-77.7119.4-179.7-176.9-92.3000110.2L86 N89 L90 T284 L286 P287 F291L86-F289 HydrophobicContact CD2-CE1 3.96Å; L86-F289 HydrophobicContact CD2-CZ 4.37Å; L86-F289 WeakPolarHBondContact O-CZ 3.21Å; N89-F289 HydrophobicContact CB-CE2 3.98Å; N89-F289 HydrophobicContact CB-CZ 3.9Å; N89-F289 WeakPolarHBondContact O-CE2 3.46Å; L90-F289 HydrophobicContact CD2-CD2 4.29Å; L90-F289 HydrophobicContact CD2-CE2 3.59Å; L90-F289 HydrophobicContact CD2-CZ 4.33Å; L90-F289 HydrophobicContact CG-CE2 4.07Å; T284-F289 HydrophobicContact CG2-CB 3.59Å; T284-F289 HydrophobicContact CG2-CD1 4.08Å; T284-F289 HydrophobicContact CG2-CG 3.81Å; L286-F289 HydrophobicContact CD1-CD2 4.39Å; P287-F289 VanDerWaalsContact C-N 3.26Å; P287-F289 PolarHBondContact O-N 3.01Å; F289-F291 AromaticContact CD1-CD1 3.74Å; F289-F291 HydrophobicContact CD1-CD1 3.74Å; F289-F291 AromaticContact CD1-CD2 3.92Å; F289-F291 HydrophobicContact CD1-CD2 3.92Å; F289-F291 AromaticContact CD1-CE1 3.65Å; F289-F291 HydrophobicContact CD1-CE1 3.65Å; F289-F291 AromaticContact CD1-CE2 3.83Å; F289-F291 HydrophobicContact CD1-CE2 3.83Å; F289-F291 AromaticContact CD1-CG 3.88Å; F289-F291 HydrophobicContact CD1-CG 3.88Å; F289-F291 AromaticContact CD1-CZ 3.71Å; F289-F291 HydrophobicContact CD1-CZ 3.71Å; F289-F291 AromaticContact CE1-CD1 3.61Å; F289-F291 HydrophobicContact CE1-CD1 3.61Å; F289-F291 AromaticContact CE1-CE1 3.7Å; F289-F291 HydrophobicContact CE1-CE1 3.7Å; F289-F291 HydrophobicContact CE1-CG 4.07Å; F289-F291 HydrophobicContact CE1-CZ 4.25Å; F289-F291 WeakPolarHBondContact O-CD2 3.42Å; F289-F291 PolarHBondContact O-N 2.85Å
290Q93.9Very high89.9Confident121 Ų12151.1 Ų51.157%0.56525%0.245SC*.  trans-78.7110.6178.4-169.4174.820.600110.4N89 N288N89-Q290 PolarHBondContact ND2-O 3.23Å; N288-Q290 PolarHBondContact O-N 2.94Å
291F95.4Very high88.4Confident33 Ų3355.7 Ų55.715%0.14526%0.264CS..PPolyproline II helixtrans-81.9141.4174.5-68.8-84.1000111.9L86 V240 Q265 S267 A282 T284 F289L86-F291 HydrophobicContact CD2-CD1 3.64Å; L86-F291 HydrophobicContact CD2-CE1 4.2Å; V240-F291 HydrophobicContact CG2-CE1 4.34Å; Q265-F291 HydrophobicContact CB-CE2 4.21Å; S267-F291 VanDerWaalsContact CB-CB 3.45Å; S267-F291 VanDerWaalsContact CB-CD1 3.44Å; A282-F291 HydrophobicContact CB-CD1 4.16Å; A282-F291 HydrophobicContact CB-CE1 3.76Å; T284-F291 HydrophobicContact CG2-CZ 3.93Å; F289-F291 AromaticContact CD1-CD1 3.74Å; F289-F291 HydrophobicContact CD1-CD1 3.74Å; F289-F291 AromaticContact CD1-CD2 3.92Å; F289-F291 HydrophobicContact CD1-CD2 3.92Å; F289-F291 AromaticContact CD1-CE1 3.65Å; F289-F291 HydrophobicContact CD1-CE1 3.65Å; F289-F291 AromaticContact CD1-CE2 3.83Å; F289-F291 HydrophobicContact CD1-CE2 3.83Å; F289-F291 AromaticContact CD1-CG 3.88Å; F289-F291 HydrophobicContact CD1-CG 3.88Å; F289-F291 AromaticContact CD1-CZ 3.71Å; F289-F291 HydrophobicContact CD1-CZ 3.71Å; F289-F291 AromaticContact CE1-CD1 3.61Å; F289-F291 HydrophobicContact CE1-CD1 3.61Å; F289-F291 AromaticContact CE1-CE1 3.7Å; F289-F291 HydrophobicContact CE1-CE1 3.7Å; F289-F291 HydrophobicContact CE1-CG 4.07Å; F289-F291 HydrophobicContact CE1-CZ 4.25Å; F289-F291 WeakPolarHBondContact O-CD2 3.42Å; F289-F291 PolarHBondContact O-N 2.85Å
292P93.5Very high86.6Confident21 Ų2161.5 Ų61.514%0.13630%0.295CS..PPolyproline II helixtrans-69.8138.2172.429.8-33.9000110.9D85 L86D85-P292 HydrophobicContact CB-CB 3.96Å; D85-P292 HydrophobicContact CB-CG 3.99Å; L86-P292 VanDerWaalsContact CD2-CD 3.44Å; L86-P292 HydrophobicContact CD2-CG 3.94Å; L86-P292 HydrophobicContact CG-CG 4.13Å
293E88Confident84.4Confident89 Ų8967 Ų6742%0.41632%0.32SS..PPolyproline II helixtrans-92.7143.1172.2-63.9-161.1161.400111.4K301E293-K301 VanDerWaalsContact CD-NZ 3.31Å; E293-K301 IonicContact OE1-NZ 3.76Å; E293-K301 PolarHBondContact OE1-NZ 2.79Å; E293-K301 IonicContact OE2-NZ 2.89Å; E293-K301 PolarHBondContact OE2-NZ 2.81Å; E293-K301 VanDerWaalsContact OE2-NZ 3.1Å
294S87.9Confident82.7Confident2 Ų273.5 Ų73.51%0.01435%0.345CS..PPolyproline II helixtrans-75149.3173690000111.3F296 R297 R298S294-F296 PolarHBondContact O-N 2.94Å; S294-F296 VanDerWaalsContact O-N 3.15Å; S294-R297 PolarHBondContact O-N 2.88Å; S294-R297 PolarHBondContact OG-N 3.02Å; S294-R298 PolarHBondContact O-N 3.48Å
295D84.4Confident81.1Confident27 Ų2778.2 Ų78.214%0.14438%0.376CS..Hα-helixtrans-53.1-36.4172.7-68.5-27000111.6K8 R297 R298 L299K8-D295 IonicContact NZ-OD2 3.95Å; K8-D295 PolarHBondContact NZ-OD2 2.83Å; D295-R297 PolarHBondContact O-N 3.11Å; D295-R298 PolarHBondContact O-N 3.44Å; D295-R298 IonicContact OD1-CZ 2.58Å; D295-R298 IonicContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.69Å; D295-R298 PolarHBondContact OD1-NH2 3.19Å; D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 VanDerWaalsContact O-CG 3.23Å; D295-L299 WeakPolarHBondContact O-CG 3.33Å; D295-L299 PolarHBondContact O-N 3.29Å
296F82Confident80Confident67 Ų6777.1 Ų77.129%0.29438%0.375SS..Hα-helixtrans-64.8-38.7178.5-59.8-74.4000112.9E270 C272 S294 R300E270-F296 HydrophobicContact CB-CB 4.42Å; E270-F296 HydrophobicContact CB-CD2 4.35Å; E270-F296 WeakPolarHBondContact OE2-CB 3.43Å; C272-F296 HydrophobicContact CB-CD2 4.46Å; C272-F296 HydrophobicContact CB-CE1 4.04Å; C272-F296 HydrophobicContact CB-CE2 3.64Å; C272-F296 HydrophobicContact CB-CZ 3.4Å; C272-F296 VanDerWaalsContact CB-CZ 3.4Å; C272-F296 VanDerWaalsContact SG-CE2 3.53Å; S294-F296 PolarHBondContact O-N 2.94Å; S294-F296 VanDerWaalsContact O-N 3.15Å; F296-R300 WeakPolarHBondContact O-CB 3.43Å; F296-R300 VanDerWaalsContact O-CG 3.31Å; F296-R300 WeakPolarHBondContact O-CG 3.27Å; F296-R300 PolarHBondContact O-N 3.39Å; F296-R300 PolarHBondContact O-NE 3.39Å
297R80.4Confident79.4Confident36 Ų3676.7 Ų76.714%0.13637%0.373CS..Hα-helixtrans-70.1-45.8174.2-170.8173.3-175.1-178.5-6.1110.2S294 D295 R300 K301S294-R297 PolarHBondContact O-N 2.88Å; S294-R297 PolarHBondContact OG-N 3.02Å; D295-R297 PolarHBondContact O-N 3.11Å; R297-R300 PolarHBondContact O-N 3.1Å; R297-K301 WeakPolarHBondContact O-CG 3.35Å; R297-K301 PolarHBondContact O-N 3.19Å; R297-K301 VanDerWaalsContact O-N 3.14Å
298R80Confident79.2Confident127 Ų12775.3 Ų75.348%0.47936%0.363SS..Hα-helixtrans-60.2-47.7179.5-170.5179.663.6-153.4-10.1112.5S294 D295 R300 K301 L302S294-R298 PolarHBondContact O-N 3.48Å; D295-R298 PolarHBondContact O-N 3.44Å; D295-R298 IonicContact OD1-CZ 2.58Å; D295-R298 IonicContact OD1-NH1 3.39Å; D295-R298 IonicContact OD1-NH2 2.69Å; D295-R298 PolarHBondContact OD1-NH2 3.19Å; R298-R300 PolarHBondContact O-N 3.46Å; R298-K301 WeakPolarHBondContact O-CB 3.37Å; R298-K301 PolarHBondContact O-N 3.49Å; R298-K301 VanDerWaalsContact O-N 3.17Å; R298-L302 HydrophobicContact CG-CD1 3.91Å; R298-L302 WeakPolarHBondContact O-CG 3.08Å; R298-L302 PolarHBondContact O-N 2.83Å; R298-L302 VanDerWaalsContact O-N 3.08Å
299L75.8Confident79.2Confident83 Ų8370.3 Ų70.344%0.43534%0.336SS..Hα-helixtrans-65.8-38.2179.2-69.1171000112.1D295 K301 L302 E303D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 VanDerWaalsContact O-CG 3.23Å; D295-L299 WeakPolarHBondContact O-CG 3.33Å; D295-L299 PolarHBondContact O-N 3.29Å; L299-K301 PolarHBondContact O-N 3.21Å; L299-L302 PolarHBondContact O-N 3.31Å; L299-L302 VanDerWaalsContact O-N 3.13Å; L299-E303 PolarHBondContact O-N 3.41Å
300R69.6Low78.9Confident100 Ų10074.4 Ų74.438%0.37736%0.355SS..Hα-helixtrans-66.3-23.1174.4-78.3-176.8-62.4166.510.8114E270 F296 R297 R298E270-R300 IonicContact OE1-CZ 2.69Å; E270-R300 VanDerWaalsContact OE1-CZ 3.27Å; E270-R300 IonicContact OE1-NH1 2.7Å; E270-R300 PolarHBondContact OE1-NH1 3.32Å; E270-R300 VanDerWaalsContact OE1-NH1 3.17Å; E270-R300 IonicContact OE1-NH2 3.93Å; E270-R300 PolarHBondContact OE1-NH2 2.78Å; E270-R300 IonicContact OE2-CZ 3.64Å; E270-R300 VanDerWaalsContact OE2-CZ 3.3Å; E270-R300 IonicContact OE2-NE 3.71Å; E270-R300 IonicContact OE2-NH1 3.2Å; E270-R300 IonicContact OE2-NH2 2.86Å; E270-R300 PolarHBondContact OE2-NH2 3.49Å; F296-R300 WeakPolarHBondContact O-CB 3.43Å; F296-R300 VanDerWaalsContact O-CG 3.31Å; F296-R300 WeakPolarHBondContact O-CG 3.27Å; F296-R300 PolarHBondContact O-N 3.39Å; F296-R300 PolarHBondContact O-NE 3.39Å; R297-R300 PolarHBondContact O-N 3.1Å; R298-R300 PolarHBondContact O-N 3.46Å
301K66.2Low78.6Confident95 Ų9568.9 Ų68.941%0.41333%0.33SS..Hα-helixtrans-78.1-37.6170.9-71.3178174.21780111.5E293 R297 R298 L299E293-K301 VanDerWaalsContact CD-NZ 3.31Å; E293-K301 IonicContact OE1-NZ 3.76Å; E293-K301 PolarHBondContact OE1-NZ 2.79Å; E293-K301 IonicContact OE2-NZ 2.89Å; E293-K301 PolarHBondContact OE2-NZ 2.81Å; E293-K301 VanDerWaalsContact OE2-NZ 3.1Å; R297-K301 WeakPolarHBondContact O-CG 3.35Å; R297-K301 PolarHBondContact O-N 3.19Å; R297-K301 VanDerWaalsContact O-N 3.14Å; R298-K301 WeakPolarHBondContact O-CB 3.37Å; R298-K301 PolarHBondContact O-N 3.49Å; R298-K301 VanDerWaalsContact O-N 3.17Å; L299-K301 PolarHBondContact O-N 3.21Å
302L60.3Low77.9Confident123 Ų12371.4 Ų71.464%0.64435%0.35SS*.Hα-helixtrans-79-29.7-175.3-74.4160.7000114R298 L299R298-L302 HydrophobicContact CG-CD1 3.91Å; R298-L302 WeakPolarHBondContact O-CG 3.08Å; R298-L302 PolarHBondContact O-N 2.83Å; R298-L302 VanDerWaalsContact O-N 3.08Å; L299-L302 PolarHBondContact O-N 3.31Å; L299-L302 VanDerWaalsContact O-N 3.13Å
303E53.1Low77Confident114 Ų11476.3 Ų76.353%0.53338%0.375SS..  trans-134.870.7-165.7-65.6177.317600112.8L299 P305L299-E303 PolarHBondContact O-N 3.41Å; E303-P305 WeakPolarHBondContact O-CD 3.29Å
304R60.6Low76.2Confident138 Ų13876.8 Ų76.852%0.52139%0.388SS..  trans-102.8102157.1-67.9-167.9-173.4-163.30.8108.1
305P65.2Low75.7Confident100 Ų10077.3 Ų77.365%0.64939%0.391SS*.PPolyproline II helixtrans-53.6139.4171.922.5-31.6000108.2E303 L307E303-P305 WeakPolarHBondContact O-CD 3.29Å; P305-L307 PolarHBondContact O-N 3.25Å
306P72.6Confident75.3Confident46 Ų4682.2 Ų82.230%0.29943%0.427SS..PPolyproline II helixtrans-56.9140.6-178.422.3-32000110.2T308 K588 I589 A590P306-T308 PolarHBondContact O-N 3.02Å; P306-T308 PolarHBondContact O-OG1 3.48Å; P306-K588 HydrophobicContact CB-CB 3.9Å; P306-K588 HydrophobicContact CB-CG 4.41Å; P306-K588 HydrophobicContact CG-CB 4.13Å; P306-K588 HydrophobicContact CG-CD 4.03Å; P306-K588 HydrophobicContact CG-CG 4.22Å; P306-I589 WeakPolarHBondContact CA-O 3.37Å; P306-A590 HydrophobicContact CB-CB 4.18Å
307L83Confident75Confident50 Ų5081.3 Ų81.326%0.26243%0.429SS..EExtended strand (participates in β ladder)trans-64.8122.8174.1-68.2173.3000108.1P305 K588 I589 A600 N601 L604P305-L307 PolarHBondContact O-N 3.25Å; L307-K588 CarbonylContact O-C 3.5Å; L307-K588 WeakPolarHBondContact O-CA 3.34Å; L307-I589 PolarHBondContact N-O 3.46Å; L307-I589 PolarHBondContact O-N 3.31Å; L307-A600 VanDerWaalsContact CD1-C 3.5Å; L307-A600 HydrophobicContact CD1-CB 3.64Å; L307-N601 HydrophobicContact CD1-CB 4.21Å; L307-N601 WeakPolarHBondContact CD1-OD1 3.38Å; L307-N601 WeakPolarHBondContact CD2-OD1 3.31Å; L307-L604 HydrophobicContact CB-CD2 4.11Å
308T86.9Confident75Confident71 Ų7180.4 Ų80.444%0.43643%0.427SS..EExtended strand (participates in β ladder)trans-111.3128.3-168.1-55.50000109.7P306 V586 I587 K588P306-T308 PolarHBondContact O-N 3.02Å; P306-T308 PolarHBondContact O-OG1 3.48Å; T308-V586 HydrophobicContact CG2-CG1 3.19Å; T308-I587 CarbonylContact C-O 3.52Å; T308-I587 WeakPolarHBondContact CA-O 3.47Å; T308-K588 HydrophobicContact CG2-CG 4.18Å
309L89.5Confident74.9Confident19 Ų1980.2 Ų80.210%0.09944%0.442CS..EExtended strand (participates in β ladder)trans-120.5107.2171.1174.165.1000108.3L311 I587 L604 L607 K608 L611L309-L311 HydrophobicContact CG-CD1 4.42Å; L309-L311 WeakPolarHBondContact O-CD1 3.24Å; L309-I587 HydrophobicContact CB-CB 4.4Å; L309-I587 HydrophobicContact CD2-CD1 4.34Å; L309-I587 PolarHBondContact N-O 3.37Å; L309-I587 PolarHBondContact O-N 2.9Å; L309-L604 HydrophobicContact CB-CD1 3.63Å; L309-L604 HydrophobicContact CB-CD2 4.19Å; L309-L604 HydrophobicContact CB-CG 3.93Å; L309-L607 HydrophobicContact CD2-CB 4.37Å; L309-K608 HydrophobicContact CD1-CB 4.13Å; L309-K608 HydrophobicContact CD1-CD 4.02Å; L309-K608 HydrophobicContact CD1-CG 4.06Å; L309-K608 HydrophobicContact CD2-CB 4Å; L309-L611 HydrophobicContact CD2-CD1 3.96Å
310Q89.5Confident75.2Confident100 Ų10082.3 Ų82.347%0.46745%0.449SS..EExtended strand (participates in β ladder)trans-78.6131.3170.5-177.1-179.2-2000109.4P584 V586Q310-P584 HydrophobicContact CG-CB 4.22Å; Q310-P584 HydrophobicContact CG-CG 4.09Å; Q310-P584 VanDerWaalsContact NE2-CG 3.3Å; Q310-V586 HydrophobicContact CB-CG2 4.36Å; Q310-V586 HydrophobicContact CG-CG2 4.3Å
311L86.1Confident75.8Confident5 Ų580.5 Ų80.53%0.02645%0.447CS..PPolyproline II helixtrans-87.8154177.5-78.566.4000110L309 V315 L318 L326 P584 L585 I587 L611L309-L311 HydrophobicContact CG-CD1 4.42Å; L309-L311 WeakPolarHBondContact O-CD1 3.24Å; L311-V315 HydrophobicContact CB-CG2 4.15Å; L311-V315 HydrophobicContact CD2-CG2 3.98Å; L311-V315 HydrophobicContact CG-CG2 4.31Å; L311-L318 HydrophobicContact CD2-CD1 4.29Å; L311-L326 HydrophobicContact CD1-CD2 4.37Å; L311-L326 HydrophobicContact CD2-CD1 4.06Å; L311-L326 HydrophobicContact CD2-CD2 3.58Å; L311-P584 WeakPolarHBondContact O-CB 3.47Å; L311-L585 HydrophobicContact CB-CB 4.41Å; L311-L585 WeakPolarHBondContact CB-O 3.41Å; L311-L585 HydrophobicContact CD2-CB 4.36Å; L311-L585 PolarHBondContact N-O 3.48Å; L311-I587 HydrophobicContact CD1-CD1 3.74Å; L311-I587 HydrophobicContact CD1-CG1 3.75Å; L311-L611 HydrophobicContact CD1-CD1 4.3Å; L311-L611 HydrophobicContact CD2-CD1 4.26Å; L311-L611 HydrophobicContact CD2-CD2 4.28Å; L311-L611 HydrophobicContact CG-CD1 4.12Å
312P82Confident76.9Confident87 Ų8777.9 Ų77.957%0.56544%0.439SS*.PPolyproline II helixtrans-61162164.3-16.729.8000112S314P312-S314 PolarHBondContact O-N 3.03Å
313D73.5Confident78.2Confident123 Ų12373.7 Ų73.766%0.65842%0.418SS*.SBendtrans-60.8-19.5-178.2-55.4-29.4000114N321D313-N321 PolarHBondContact O-ND2 2.97Å
314S72.4Confident80Confident99 Ų9973.4 Ų73.469%0.69242%0.421SS*.  trans-141.8141.9167.657.70000110.1P312P312-S314 PolarHBondContact O-N 3.03Å
315V76.5Confident81.4Confident14 Ų1467.5 Ų67.59%0.08540%0.402CS..  trans-130.2121.2175.1-171.90000108.2L311 C317 L318 L611L311-V315 HydrophobicContact CB-CG2 4.15Å; L311-V315 HydrophobicContact CD2-CG2 3.98Å; L311-V315 HydrophobicContact CG-CG2 4.31Å; V315-C317 VanDerWaalsContact CG1-SG 3.57Å; V315-C317 PolarHBondContact O-N 3.29Å; V315-L318 HydrophobicContact CB-CD1 4.18Å; V315-L318 HydrophobicContact CB-CG 4.42Å; V315-L318 PolarHBondContact O-N 3.21Å; V315-L318 VanDerWaalsContact O-N 3.09Å; V315-L611 HydrophobicContact CG1-CB 4.22Å; V315-L611 HydrophobicContact CG1-CD2 3.91Å; V315-L611 WeakPolarHBondContact CG1-O 3.26Å
316S76.4Confident82.6Confident129 Ų12962.8 Ų62.890%0.90237%0.371SS*.THydrogen-bonded Turntrans-63-16.5-169.958.30000115.2
317C75Confident83.6Confident48 Ų4860.7 Ų60.732%0.32436%0.357SS..THydrogen-bonded Turntrans-91.4-3.4179.866.10000114.1V315V315-C317 VanDerWaalsContact CG1-SG 3.57Å; V315-C317 PolarHBondContact O-N 3.29Å
318L82.1Confident84Confident18 Ų1862.7 Ų62.79%0.09437%0.368CS..  trans-100.1126.9176.2-63.7175.5000109.1L311 V315 E320 L326 W329 L585L311-L318 HydrophobicContact CD2-CD1 4.29Å; V315-L318 HydrophobicContact CB-CD1 4.18Å; V315-L318 HydrophobicContact CB-CG 4.42Å; V315-L318 PolarHBondContact O-N 3.21Å; V315-L318 VanDerWaalsContact O-N 3.09Å; L318-E320 PolarHBondContact O-N 2.93Å; L318-L326 HydrophobicContact CD1-CB 4.22Å; L318-L326 HydrophobicContact CD1-CD1 4.1Å; L318-L326 HydrophobicContact CD2-CB 4.21Å; L318-L326 HydrophobicContact CD2-CD1 3.96Å; L318-W329 HydrophobicContact CD2-CB 3.64Å; L318-W329 HydrophobicContact CD2-CG 3.94Å; L318-L585 HydrophobicContact CD1-CD1 4.47Å
319P76.6Confident84.3Confident123 Ų12360.8 Ų60.880%0.79935%0.353SS*.SBendtrans-59.7-38175.6-21.331.4000112.2
320E82.1Confident84.6Confident127 Ų12759.9 Ų59.959%0.59335%0.348SS*.SBendtrans-138.8146.5179.8-61.7177.3179.700108.3L318 T322 A325L318-E320 PolarHBondContact O-N 2.93Å; E320-T322 HydrophobicContact CB-CG2 4.01Å; E320-T322 PolarHBondContact O-N 3.11Å; E320-A325 HydrophobicContact CB-CB 4.34Å; E320-A325 VanDerWaalsContact O-CB 3.24Å; E320-A325 WeakPolarHBondContact O-CB 3.24Å
321N83.1Confident84.9Confident61 Ų6156.8 Ų56.833%0.32633%0.332SS..SBendtrans-82.652179.4-162.527.8000111.4D313 Y518 L585D313-N321 PolarHBondContact O-ND2 2.97Å; N321-Y518 PolarHBondContact O-OH 2.9Å; N321-L585 WeakPolarHBondContact OD1-CD1 3.48Å
322T88.3Confident85.3Confident41 Ų4162.7 Ų62.725%0.25236%0.355SS..SBendtrans-110.8156.2-175.664.10000112.7E320 D324 A325 L326 Y518E320-T322 HydrophobicContact CB-CG2 4.01Å; E320-T322 PolarHBondContact O-N 3.11Å; T322-D324 VanDerWaalsContact C-N 3.27Å; T322-D324 PolarHBondContact O-N 3.12Å; T322-A325 PolarHBondContact O-N 3.32Å; T322-A325 VanDerWaalsContact OG1-CB 3.24Å; T322-A325 WeakPolarHBondContact OG1-CB 3.43Å; T322-A325 PolarHBondContact OG1-N 2.85Å; T322-L326 PolarHBondContact O-N 2.64Å; T322-L326 VanDerWaalsContact O-N 3.07Å; T322-Y518 WeakPolarHBondContact CA-OH 3.43Å
323V88.4Confident85.8Confident34 Ų3458.7 Ų58.721%0.20633%0.329CS..Hα-helixtrans-56.1-44.2174.4171.30000110.7L326 L327 V516 Y518 L585V323-L326 PolarHBondContact O-N 3.16Å; V323-L327 HydrophobicContact CG1-CD1 3.9Å; V323-L327 HydrophobicContact CG1-CG 4.42Å; V323-L327 WeakPolarHBondContact O-CB 3.25Å; V323-L327 WeakPolarHBondContact O-CG 3.46Å; V323-L327 PolarHBondContact O-N 3.39Å; V323-V516 HydrophobicContact CB-CG1 4.29Å; V323-V516 HydrophobicContact CG1-CB 4.15Å; V323-V516 HydrophobicContact CG1-CG1 3.99Å; V323-V516 HydrophobicContact CG2-CG1 4.28Å; V323-Y518 HydrophobicContact CG2-CD2 3.81Å; V323-Y518 HydrophobicContact CG2-CE2 3.62Å; V323-Y518 HydrophobicContact CG2-CG 4.46Å; V323-L585 HydrophobicContact CG2-CD2 3.83Å
324D89.6Confident86.9Confident108 Ų10852.8 Ų52.858%0.57830%0.298SS*.Hα-helixtrans-67.3-45-178.6-69.2-40.8000112.3T322 L326 L327 D328T322-D324 VanDerWaalsContact C-N 3.27Å; T322-D324 PolarHBondContact O-N 3.12Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 2.96Å; D324-L327 PolarHBondContact O-N 2.8Å; D324-D328 PolarHBondContact O-N 2.8Å
325A90.3Very high88Confident15 Ų1554.3 Ų54.312%0.12429%0.291CS..Hα-helixtrans-61-39.4177.100000112E320 T322 D328 W329E320-A325 HydrophobicContact CB-CB 4.34Å; E320-A325 VanDerWaalsContact O-CB 3.24Å; E320-A325 WeakPolarHBondContact O-CB 3.24Å; T322-A325 PolarHBondContact O-N 3.32Å; T322-A325 VanDerWaalsContact OG1-CB 3.24Å; T322-A325 WeakPolarHBondContact OG1-CB 3.43Å; T322-A325 PolarHBondContact OG1-N 2.85Å; A325-D328 PolarHBondContact O-N 3.25Å; A325-W329 WeakPolarHBondContact O-CB 3.48Å; A325-W329 PolarHBondContact O-N 3Å
326L91.3Very high88.8Confident0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-71.9-38.4176.1179.755.5000112.4L311 L318 T322 V323 D324 D328 W329 L330 V516 L585 I587L311-L326 HydrophobicContact CD1-CD2 4.37Å; L311-L326 HydrophobicContact CD2-CD1 4.06Å; L311-L326 HydrophobicContact CD2-CD2 3.58Å; L318-L326 HydrophobicContact CD1-CB 4.22Å; L318-L326 HydrophobicContact CD1-CD1 4.1Å; L318-L326 HydrophobicContact CD2-CB 4.21Å; L318-L326 HydrophobicContact CD2-CD1 3.96Å; T322-L326 PolarHBondContact O-N 2.64Å; T322-L326 VanDerWaalsContact O-N 3.07Å; V323-L326 PolarHBondContact O-N 3.16Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 2.96Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 2.89Å; L326-W329 HydrophobicContact CD1-CE3 4.05Å; L326-W329 PolarHBondContact O-N 2.97Å; L326-L330 HydrophobicContact CD1-CD1 4.4Å; L326-L330 HydrophobicContact CD1-CG 4.21Å; L326-L330 HydrophobicContact CG-CD1 4.26Å; L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 VanDerWaalsContact O-CG 3.28Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 3.14Å; L326-V516 HydrophobicContact CB-CG1 4.17Å; L326-V516 HydrophobicContact CD2-CG1 3.66Å; L326-V516 HydrophobicContact CD2-CG2 4.22Å; L326-V516 HydrophobicContact CG-CG1 4.06Å; L326-V516 HydrophobicContact CG-CG2 4.1Å; L326-L585 HydrophobicContact CB-CD1 4.12Å; L326-L585 HydrophobicContact CD2-CB 4Å; L326-L585 HydrophobicContact CD2-CD1 3.85Å; L326-L585 HydrophobicContact CD2-CG 4.42Å; L326-I587 HydrophobicContact CD1-CD1 4.25Å; L326-I587 HydrophobicContact CD2-CD1 4.34Å; L326-I587 HydrophobicContact CD2-CG1 3.93Å
327L92.7Very high89.5Confident2 Ų253.8 Ų53.81%0.0127%0.274CS..Hα-helixtrans-61.1-42.2172.5-77.4172.2000111.2V323 D324 L330 R331 L355 V516V323-L327 HydrophobicContact CG1-CD1 3.9Å; V323-L327 HydrophobicContact CG1-CG 4.42Å; V323-L327 WeakPolarHBondContact O-CB 3.25Å; V323-L327 WeakPolarHBondContact O-CG 3.46Å; V323-L327 PolarHBondContact O-N 3.39Å; D324-L327 PolarHBondContact O-N 2.8Å; L327-L330 PolarHBondContact O-N 2.85Å; L327-R331 WeakPolarHBondContact O-CB 3.42Å; L327-R331 VanDerWaalsContact O-CG 3.26Å; L327-R331 WeakPolarHBondContact O-CG 3.38Å; L327-R331 PolarHBondContact O-N 3.45Å; L327-L355 HydrophobicContact CD2-CD1 4.35Å; L327-L355 HydrophobicContact CD2-CD2 4.23Å; L327-L355 HydrophobicContact CD2-CG 3.91Å; L327-V516 HydrophobicContact CD2-CB 4.03Å; L327-V516 HydrophobicContact CD2-CG2 3.62Å; L327-V516 HydrophobicContact CG-CB 4.04Å; L327-V516 HydrophobicContact CG-CG2 3.95Å
328D92.4Very high90.4Very high93 Ų9354.5 Ų54.550%0.49729%0.289SS..Hα-helixtrans-63.8-43.3175.9-79.2-22.6000112.6D324 A325 L326 L330 R331 Y332D324-D328 PolarHBondContact O-N 2.8Å; A325-D328 PolarHBondContact O-N 3.25Å; L326-D328 VanDerWaalsContact C-N 3.32Å; L326-D328 PolarHBondContact O-N 2.89Å; D328-L330 PolarHBondContact O-N 3.25Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 2.94Å; D328-R331 IonicContact OD1-CZ 3.35Å; D328-R331 IonicContact OD1-NH1 2.67Å; D328-R331 PolarHBondContact OD1-NH1 3.33Å; D328-Y332 PolarHBondContact O-N 3.06Å
329W93.9Very high91Very high30 Ų3054.1 Ų54.111%0.11429%0.287CS..Hα-helixtrans-61-44.1174.3-177.589.7000111.9L318 A325 L326 Y332 E333 L607 R610 L611L318-W329 HydrophobicContact CD2-CB 3.64Å; L318-W329 HydrophobicContact CD2-CG 3.94Å; A325-W329 WeakPolarHBondContact O-CB 3.48Å; A325-W329 PolarHBondContact O-N 3Å; L326-W329 HydrophobicContact CD1-CE3 4.05Å; L326-W329 PolarHBondContact O-N 2.97Å; W329-Y332 PolarHBondContact O-N 2.78Å; W329-E333 HydrophobicContact CD2-CG 3.97Å; W329-E333 HydrophobicContact CE3-CG 4.1Å; W329-E333 HydrophobicContact CH2-CG 3.76Å; W329-E333 HydrophobicContact CZ2-CG 3.6Å; W329-E333 HydrophobicContact CZ3-CG 4Å; W329-E333 PolarHBondContact O-N 3.45Å; W329-L607 HydrophobicContact CH2-CD2 4.3Å; W329-L607 HydrophobicContact CZ3-CD2 4.02Å; W329-R610 HydrophobicContact CH2-CB 3.82Å; W329-R610 HydrophobicContact CZ2-CB 3.9Å; W329-L611 HydrophobicContact CD2-CD2 4.47Å; W329-L611 HydrophobicContact CE3-CD2 4.12Å; W329-L611 HydrophobicContact CH2-CD2 3.6Å; W329-L611 HydrophobicContact CH2-CG 3.65Å; W329-L611 HydrophobicContact CZ2-CD2 3.96Å; W329-L611 HydrophobicContact CZ2-CG 4.31Å; W329-L611 HydrophobicContact CZ3-CD1 4.46Å; W329-L611 HydrophobicContact CZ3-CD2 3.68Å; W329-L611 HydrophobicContact CZ3-CG 3.97Å
330L94.7Very high91.9Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-64-43.3176.3-74.3172.2000112.1L326 L327 D328 Y332 E333 F334 L355 V514 V516 I587 L607L326-L330 HydrophobicContact CD1-CD1 4.4Å; L326-L330 HydrophobicContact CD1-CG 4.21Å; L326-L330 HydrophobicContact CG-CD1 4.26Å; L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 VanDerWaalsContact O-CG 3.28Å; L326-L330 WeakPolarHBondContact O-CG 3.47Å; L326-L330 PolarHBondContact O-N 3.14Å; L327-L330 PolarHBondContact O-N 2.85Å; D328-L330 PolarHBondContact O-N 3.25Å; L330-Y332 VanDerWaalsContact C-N 3.26Å; L330-Y332 PolarHBondContact O-N 3.46Å; L330-E333 PolarHBondContact O-N 3.36Å; L330-F334 HydrophobicContact CB-CD2 4.2Å; L330-F334 HydrophobicContact CB-CE2 3.88Å; L330-F334 HydrophobicContact CD2-CE2 4.04Å; L330-F334 HydrophobicContact CD2-CZ 4.05Å; L330-F334 HydrophobicContact CG-CE2 4.44Å; L330-F334 WeakPolarHBondContact O-CB 3.37Å; L330-F334 WeakPolarHBondContact O-CD2 3.35Å; L330-F334 VanDerWaalsContact O-CG 3.31Å; L330-F334 WeakPolarHBondContact O-CG 3.2Å; L330-F334 PolarHBondContact O-N 3.34Å; L330-L355 HydrophobicContact CB-CD1 3.74Å; L330-V514 HydrophobicContact CD1-CG1 4.02Å; L330-V516 HydrophobicContact CD1-CG2 3.58Å; L330-I587 HydrophobicContact CD1-CD1 4.26Å; L330-I587 HydrophobicContact CD1-CG1 4.2Å; L330-I587 HydrophobicContact CD1-CG2 4.33Å; L330-I587 HydrophobicContact CD2-CD1 4.1Å; L330-L607 HydrophobicContact CD2-CD1 3.85Å; L330-L607 HydrophobicContact CD2-CD2 3.79Å; L330-L607 HydrophobicContact CD2-CG 4.43Å
331R95.3Very high92.6Very high35 Ų3549.7 Ų49.713%0.13226%0.255CS..Hα-helixtrans-54.9-45.8174.4-76.2172.3-172.4118.76.4110.7L327 D328 K335 V341 D343 L355L327-R331 WeakPolarHBondContact O-CB 3.42Å; L327-R331 VanDerWaalsContact O-CG 3.26Å; L327-R331 WeakPolarHBondContact O-CG 3.38Å; L327-R331 PolarHBondContact O-N 3.45Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 2.94Å; D328-R331 IonicContact OD1-CZ 3.35Å; D328-R331 IonicContact OD1-NH1 2.67Å; D328-R331 PolarHBondContact OD1-NH1 3.33Å; R331-K335 WeakPolarHBondContact O-CB 3.34Å; R331-K335 VanDerWaalsContact O-CG 3.26Å; R331-K335 WeakPolarHBondContact O-CG 3.31Å; R331-K335 PolarHBondContact O-N 3.12Å; R331-K335 VanDerWaalsContact O-N 3.13Å; R331-V341 HydrophobicContact CG-CG1 4.21Å; R331-D343 IonicContact CZ-OD1 3.81Å; R331-D343 IonicContact CZ-OD2 3.28Å; R331-D343 IonicContact NE-OD1 2.81Å; R331-D343 PolarHBondContact NE-OD1 3.39Å; R331-D343 IonicContact NE-OD2 2.75Å; R331-D343 IonicContact NH2-OD1 3.51Å; R331-D343 PolarHBondContact NH2-OD1 3.42Å; R331-D343 IonicContact NH2-OD2 3.21Å; R331-L355 HydrophobicContact CG-CD1 3.74Å; R331-L355 HydrophobicContact CG-CD2 3.49Å; R331-L355 VanDerWaalsContact CG-CD2 3.49Å; R331-L355 HydrophobicContact CG-CG 4.28Å
332Y94.4Very high93.2Very high130 Ų13050.4 Ų50.451%0.5126%0.259SS..Hα-helixtrans-62.9-53177.2179.1-98000111.4D328 W329 L330 F334 K335 Q336D328-Y332 PolarHBondContact O-N 3.06Å; W329-Y332 PolarHBondContact O-N 2.78Å; L330-Y332 VanDerWaalsContact C-N 3.26Å; L330-Y332 PolarHBondContact O-N 3.46Å; Y332-F334 PolarHBondContact O-N 2.92Å; Y332-K335 PolarHBondContact O-N 2.88Å; Y332-K335 VanDerWaalsContact O-N 3.16Å; Y332-Q336 HydrophobicContact CD1-CG 4.06Å; Y332-Q336 HydrophobicContact CE1-CG 3.66Å; Y332-Q336 HydrophobicContact CE2-CG 4.22Å; Y332-Q336 HydrophobicContact CG-CG 4.5Å; Y332-Q336 WeakPolarHBondContact O-CG 3.49Å; Y332-Q336 PolarHBondContact O-N 3.13Å; Y332-Q336 PolarHBondContact OH-NE2 3.36Å
333E93.8Very high93.4Very high2 Ų252.6 Ų52.61%0.00927%0.269CS..Hα-helixtrans-59.2-42.7-178.9-76.1-65.3133.100113.1W329 L330 Q336 L337 Y606 R610W329-E333 HydrophobicContact CD2-CG 3.97Å; W329-E333 HydrophobicContact CE3-CG 4.1Å; W329-E333 HydrophobicContact CH2-CG 3.76Å; W329-E333 HydrophobicContact CZ2-CG 3.6Å; W329-E333 HydrophobicContact CZ3-CG 4Å; W329-E333 PolarHBondContact O-N 3.45Å; L330-E333 PolarHBondContact O-N 3.36Å; E333-Q336 PolarHBondContact O-N 3.2Å; E333-L337 WeakPolarHBondContact O-CG 3.33Å; E333-L337 PolarHBondContact O-N 2.96Å; E333-Y606 PolarHBondContact OE2-OH 2.84Å; E333-R610 IonicContact OE1-CZ 3.4Å; E333-R610 IonicContact OE1-NE 3.36Å; E333-R610 PolarHBondContact OE1-NE 3.3Å; E333-R610 IonicContact OE1-NH2 2.68Å; E333-R610 PolarHBondContact OE1-NH2 3Å; E333-R610 IonicContact OE2-CZ 3.65Å; E333-R610 IonicContact OE2-NE 2.87Å; E333-R610 PolarHBondContact OE2-NE 3.18Å; E333-R610 IonicContact OE2-NH2 3.56Å
334F95.9Very high93.4Very high0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-67.4-36.5178-66.2-44.7000112.3L330 Y332 L337 G338 M339 V341 L355 I357 V514 I603 L607L330-F334 HydrophobicContact CB-CD2 4.2Å; L330-F334 HydrophobicContact CB-CE2 3.88Å; L330-F334 HydrophobicContact CD2-CE2 4.04Å; L330-F334 HydrophobicContact CD2-CZ 4.05Å; L330-F334 HydrophobicContact CG-CE2 4.44Å; L330-F334 WeakPolarHBondContact O-CB 3.37Å; L330-F334 WeakPolarHBondContact O-CD2 3.35Å; L330-F334 VanDerWaalsContact O-CG 3.31Å; L330-F334 WeakPolarHBondContact O-CG 3.2Å; L330-F334 PolarHBondContact O-N 3.34Å; Y332-F334 PolarHBondContact O-N 2.92Å; F334-L337 HydrophobicContact CD1-CD1 4.41Å; F334-L337 CarbonylContact O-C 3.31Å; F334-L337 PolarHBondContact O-N 3.13Å; F334-G338 PolarHBondContact O-N 2.94Å; F334-M339 HydrophobicContact CB-CB 4.31Å; F334-M339 HydrophobicContact CB-SD 4.09Å; F334-M339 HydrophobicContact CD1-CE 4.43Å; F334-M339 HydrophobicContact CD1-SD 3.62Å; F334-M339 HydrophobicContact CE1-SD 4.43Å; F334-M339 HydrophobicContact CG-SD 4.14Å; F334-M339 VanDerWaalsContact O-CB 3.29Å; F334-M339 WeakPolarHBondContact O-CB 3.48Å; F334-M339 WeakPolarHBondContact O-CG 3.45Å; F334-M339 PolarHBondContact O-N 2.93Å; F334-V341 HydrophobicContact CB-CG2 3.54Å; F334-L355 HydrophobicContact CD2-CD1 4.05Å; F334-L355 HydrophobicContact CE2-CD1 4.13Å; F334-I357 HydrophobicContact CB-CG2 4.3Å; F334-I357 HydrophobicContact CD1-CD1 4.33Å; F334-I357 HydrophobicContact CD2-CG2 3.54Å; F334-I357 HydrophobicContact CE1-CD1 4.04Å; F334-I357 HydrophobicContact CE2-CG2 3.9Å; F334-I357 HydrophobicContact CG-CG2 3.89Å; F334-I357 HydrophobicContact CZ-CD1 4.13Å; F334-V514 HydrophobicContact CE2-CB 4.28Å; F334-V514 HydrophobicContact CE2-CG1 4.14Å; F334-V514 HydrophobicContact CE2-CG2 3.9Å; F334-V514 HydrophobicContact CZ-CG1 4.3Å; F334-V514 HydrophobicContact CZ-CG2 3.95Å; F334-I603 HydrophobicContact CE1-CG2 3.7Å; F334-I603 HydrophobicContact CZ-CG2 4.4Å; F334-L607 HydrophobicContact CE1-CD1 4.18Å; F334-L607 HydrophobicContact CE1-CD2 4.12Å; F334-L607 HydrophobicContact CZ-CD1 3.95Å; F334-L607 HydrophobicContact CZ-CD2 4.38Å
335K95.3Very high93.3Very high130 Ų13057.8 Ų57.857%0.56529%0.285SS*.Hα-helixtrans-63.8-39.7171.5-75.3175-178.9177.30111.7R331 Y332 L337 G338 V341R331-K335 WeakPolarHBondContact O-CB 3.34Å; R331-K335 VanDerWaalsContact O-CG 3.26Å; R331-K335 WeakPolarHBondContact O-CG 3.31Å; R331-K335 PolarHBondContact O-N 3.12Å; R331-K335 VanDerWaalsContact O-N 3.13Å; Y332-K335 PolarHBondContact O-N 2.88Å; Y332-K335 VanDerWaalsContact O-N 3.16Å; K335-L337 PolarHBondContact O-N 3.08Å; K335-G338 WeakPolarHBondContact O-CA 3.27Å; K335-G338 PolarHBondContact O-N 3.39Å; K335-V341 HydrophobicContact CG-CG2 4.12Å
336Q92.4Very high92.9Very high123 Ų12358.6 Ų58.658%0.57529%0.287SS*.Hα-helixtrans-64.7-29.3175.1-65.3-60.484.400112.7Y332 E333 G338Y332-Q336 HydrophobicContact CD1-CG 4.06Å; Y332-Q336 HydrophobicContact CE1-CG 3.66Å; Y332-Q336 HydrophobicContact CE2-CG 4.22Å; Y332-Q336 HydrophobicContact CG-CG 4.5Å; Y332-Q336 WeakPolarHBondContact O-CG 3.49Å; Y332-Q336 PolarHBondContact O-N 3.13Å; Y332-Q336 PolarHBondContact OH-NE2 3.36Å; E333-Q336 PolarHBondContact O-N 3.2Å; Q336-G338 PolarHBondContact O-N 3.06Å
337L92.6Very high92.3Very high10 Ų1068 Ų685%0.05232%0.323CS..THydrogen-bonded Turntrans-772.6170.2-69.3176.8000113.3E333 F334 K335 M339 T363 W364 Y606E333-L337 WeakPolarHBondContact O-CG 3.33Å; E333-L337 PolarHBondContact O-N 2.96Å; F334-L337 HydrophobicContact CD1-CD1 4.41Å; F334-L337 CarbonylContact O-C 3.31Å; F334-L337 PolarHBondContact O-N 3.13Å; K335-L337 PolarHBondContact O-N 3.08Å; L337-M339 VanDerWaalsContact C-N 3.28Å; L337-M339 HydrophobicContact CB-CE 4.22Å; L337-M339 HydrophobicContact CB-CG 4.07Å; L337-M339 HydrophobicContact CD1-CE 3.9Å; L337-M339 PolarHBondContact O-N 3.22Å; L337-T363 WeakPolarHBondContact CB-OG1 3.49Å; L337-T363 WeakPolarHBondContact O-CB 3.49Å; L337-T363 WeakPolarHBondContact O-CG2 3.26Å; L337-T363 PolarHBondContact O-OG1 3.4Å; L337-W364 HydrophobicContact CD1-CB 4.08Å; L337-W364 HydrophobicContact CD2-CB 4.02Å; L337-Y606 HydrophobicContact CD1-CD1 3.86Å; L337-Y606 HydrophobicContact CD1-CE1 3.64Å; L337-Y606 HydrophobicContact CD2-CE1 4.23Å; L337-Y606 HydrophobicContact CD2-CE2 4.01Å; L337-Y606 HydrophobicContact CG-CE1 4.13Å
338G92.8Very high90.8Very high62 Ų6273 Ų7364%0.63936%0.364SS*.THydrogen-bonded Turntrans70.622.8-17900000113.6F334 K335 Q336F334-G338 PolarHBondContact O-N 2.94Å; K335-G338 WeakPolarHBondContact O-CA 3.27Å; K335-G338 PolarHBondContact O-N 3.39Å; Q336-G338 PolarHBondContact O-N 3.06Å
339M95.3Very high89.4Confident10 Ų1077.2 Ų77.25%0.04938%0.381CS..  trans-84.4146.3175.6-52.8-174.517100110.7F334 L337 V341 I357 T358 A359 W364 I603F334-M339 HydrophobicContact CB-CB 4.31Å; F334-M339 HydrophobicContact CB-SD 4.09Å; F334-M339 HydrophobicContact CD1-CE 4.43Å; F334-M339 HydrophobicContact CD1-SD 3.62Å; F334-M339 HydrophobicContact CE1-SD 4.43Å; F334-M339 HydrophobicContact CG-SD 4.14Å; F334-M339 VanDerWaalsContact O-CB 3.29Å; F334-M339 WeakPolarHBondContact O-CB 3.48Å; F334-M339 WeakPolarHBondContact O-CG 3.45Å; F334-M339 PolarHBondContact O-N 2.93Å; L337-M339 VanDerWaalsContact C-N 3.28Å; L337-M339 HydrophobicContact CB-CE 4.22Å; L337-M339 HydrophobicContact CB-CG 4.07Å; L337-M339 HydrophobicContact CD1-CE 3.9Å; L337-M339 PolarHBondContact O-N 3.22Å; M339-V341 HydrophobicContact CB-CG2 4.49Å; M339-I357 HydrophobicContact SD-CB 4.33Å; M339-I357 HydrophobicContact SD-CD1 4Å; M339-T358 CarbonylContact C-O 3.56Å; M339-T358 WeakPolarHBondContact CA-O 3.24Å; M339-A359 HydrophobicContact CB-CB 4.49Å; M339-A359 HydrophobicContact CE-CB 4.07Å; M339-A359 HydrophobicContact CG-CB 3.79Å; M339-A359 HydrophobicContact SD-CB 4.31Å; M339-W364 HydrophobicContact CE-CD2 4.11Å; M339-W364 HydrophobicContact CE-CE3 3.23Å; M339-W364 HydrophobicContact CE-CH2 4.14Å; M339-W364 HydrophobicContact CE-CZ3 3.26Å; M339-I603 HydrophobicContact CE-CD1 3.56Å; M339-I603 HydrophobicContact CE-CG1 3.97Å
340K96Very high88Confident133 Ų13381.3 Ų81.358%0.57840%0.404SS*.EExtended strand (participates in β ladder)trans-73.3129.4161.8-175.8-179-178.7-176.70108.1I357 T358K340-I357 CarbonylContact O-C 3.6Å; K340-I357 VanDerWaalsContact O-CA 3.32Å; K340-I357 WeakPolarHBondContact O-CA 3.2Å; K340-T358 PolarHBondContact N-O 2.71Å; K340-T358 PolarHBondContact O-N 3.2Å
341V96.4Very high87Confident24 Ų2483.2 Ų83.215%0.14542%0.424CS..EExtended strand (participates in β ladder)trans-125.4125.3-179.3-172.30000108.3R331 F334 K335 M339 L355 N356 I357R331-V341 HydrophobicContact CG-CG1 4.21Å; F334-V341 HydrophobicContact CB-CG2 3.54Å; K335-V341 HydrophobicContact CG-CG2 4.12Å; M339-V341 HydrophobicContact CB-CG2 4.49Å; V341-L355 HydrophobicContact CG1-CB 4.15Å; V341-L355 HydrophobicContact CG1-CD1 4.28Å; V341-L355 HydrophobicContact CG1-CD2 4.3Å; V341-L355 HydrophobicContact CG1-CG 4.48Å; V341-N356 WeakPolarHBondContact CA-O 3.34Å; V341-I357 HydrophobicContact CG1-CG2 4.34Å; V341-I357 HydrophobicContact CG2-CG2 4.32Å
342L94.9Very high86.4Confident77 Ų7784.4 Ų84.440%0.40345%0.447SS..EExtended strand (participates in β ladder)trans-124.8137.6177.1-62175.1000109.7L355 N356L342-L355 CarbonylContact O-C 3.28Å; L342-N356 HydrophobicContact CB-CB 4.36Å; L342-N356 PolarHBondContact N-O 3.07Å; L342-N356 PolarHBondContact O-N 3.44Å
343D92.4Very high86.2Confident87 Ų8781.3 Ų81.347%0.46544%0.439SS..EExtended strand (participates in β ladder)trans-79.6130.8170.7-65.7-49.8000110.2R331 L355R331-D343 IonicContact CZ-OD1 3.81Å; R331-D343 IonicContact CZ-OD2 3.28Å; R331-D343 IonicContact NE-OD1 2.81Å; R331-D343 PolarHBondContact NE-OD1 3.39Å; R331-D343 IonicContact NE-OD2 2.75Å; R331-D343 IonicContact NH2-OD1 3.51Å; R331-D343 PolarHBondContact NH2-OD1 3.42Å; R331-D343 IonicContact NH2-OD2 3.21Å; D343-L355 WeakPolarHBondContact OD1-CD2 3.36Å
344Q89.9Confident86.1Confident71 Ų7181.7 Ų81.733%0.33244%0.441SS..EExtended strand (participates in β ladder)trans-125.6137.7176.9-70.2-169.3-11.700110L353 H354 N356Q344-L353 CarbonylContact O-C 3.59Å; Q344-L353 WeakPolarHBondContact O-CA 3.24Å; Q344-H354 WeakPolarHBondContact CB-CE1 3.45Å; Q344-H354 WeakPolarHBondContact CB-NE2 3.45Å; Q344-H354 PolarHBondContact N-O 3.37Å; Q344-H354 PolarHBondContact O-N 3.1Å; Q344-H354 PolarHBondContact O-ND1 3.43Å; Q344-H354 PolarHBondContact OE1-NE2 3.04Å; Q344-N356 HydrophobicContact CG-CB 3.96Å
345K87.5Confident86.1Confident180 Ų18081.7 Ų81.778%0.78344%0.441SS*.EExtended strand (participates in β ladder)trans-68134.7173-70.1-174.1178.4-176.10109.7L353K345-L353 HydrophobicContact CG-CD2 3.89Å
346N82.1Confident86.1Confident31 Ų3175.8 Ų75.817%0.16642%0.415CS..PPolyproline II helixtrans-64.4164169.8-68.8-26.1000110.4L350 G351 G352 L353 H354 F515N346-L350 HydrophobicContact CB-CB 3.94Å; N346-G351 VanDerWaalsContact CB-O 3.26Å; N346-G351 WeakPolarHBondContact CB-O 3.33Å; N346-G351 PolarHBondContact ND2-O 3.33Å; N346-G352 PolarHBondContact N-O 2.76Å; N346-L353 PolarHBondContact ND2-O 2.66Å; N346-H354 WeakPolarHBondContact OD1-CB 3.46Å; N346-H354 PolarHBondContact OD1-ND1 2.85Å; N346-F515 WeakPolarHBondContact OD1-CE1 3.29Å
347R76.7Confident86.2Confident198 Ų19870 Ų7075%0.74739%0.388SS*.PPolyproline II helixtrans-56.9147.3166.8-68.1-175.2-179.2-179.61.1108.7E349 L350 G351R347-E349 PolarHBondContact O-N 3.04Å; R347-L350 PolarHBondContact O-N 2.65Å; R347-G351 PolarHBondContact O-N 3.17Å
348A61.3Low86.4Confident106 Ų10670.8 Ų70.888%0.87639%0.393SS*.THydrogen-bonded Turntrans-50.9-32.7-174.400000113.5L350A348-L350 VanDerWaalsContact C-N 3.34Å; A348-L350 PolarHBondContact O-N 3.23Å
349E64.2Low86.5Confident183 Ų18367.9 Ų67.986%0.85536%0.363SS*.THydrogen-bonded Turntrans-63.9-30.4178.2-63.1166.6-160.600114.6R347R347-E349 PolarHBondContact O-N 3.04Å
350L64.4Low86.4Confident116 Ų11671.7 Ų71.761%0.60739%0.387SS*.THydrogen-bonded Turntrans-94-24.7-176.2-80.7151.2000112.6N346 R347 A348N346-L350 HydrophobicContact CB-CB 3.94Å; R347-L350 PolarHBondContact O-N 2.65Å; A348-L350 VanDerWaalsContact C-N 3.34Å; A348-L350 PolarHBondContact O-N 3.23Å
351G72.9Confident86.1Confident40 Ų4069.8 Ų69.841%0.41239%0.386SS..  trans62.1166.4-171.300000113.4N346 R347N346-G351 VanDerWaalsContact CB-O 3.26Å; N346-G351 WeakPolarHBondContact CB-O 3.33Å; N346-G351 PolarHBondContact ND2-O 3.33Å; R347-G351 PolarHBondContact O-N 3.17Å
352G83.8Confident85.7Confident59 Ų5971.2 Ų71.261%0.60839%0.393SS*.SBendtrans74.6-164.817400000116.5N346N346-G352 PolarHBondContact N-O 2.76Å
353L88.8Confident85.5Confident66 Ų6669.7 Ų69.735%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-118.4158.1-175.9-66.6164.5000111Q344 K345 N346Q344-L353 CarbonylContact O-C 3.59Å; Q344-L353 WeakPolarHBondContact O-CA 3.24Å; K345-L353 HydrophobicContact CG-CD2 3.89Å; N346-L353 PolarHBondContact ND2-O 2.66Å
354H92.6Very high85.2Confident10 Ų1065.8 Ų65.85%0.04637%0.366CS..EExtended strand (participates in β ladder)trans-134.2162.816567.3-85.3000110Q344 N346 N513 V514 F515Q344-H354 WeakPolarHBondContact CB-CE1 3.45Å; Q344-H354 WeakPolarHBondContact CB-NE2 3.45Å; Q344-H354 PolarHBondContact N-O 3.37Å; Q344-H354 PolarHBondContact O-N 3.1Å; Q344-H354 PolarHBondContact O-ND1 3.43Å; Q344-H354 PolarHBondContact OE1-NE2 3.04Å; N346-H354 WeakPolarHBondContact OD1-CB 3.46Å; N346-H354 PolarHBondContact OD1-ND1 2.85Å; H354-N513 VanDerWaalsContact CD2-CG 3.44Å; H354-N513 VanDerWaalsContact NE2-CG 3.28Å; H354-N513 PolarHBondContact NE2-ND2 3.23Å; H354-N513 PolarHBondContact NE2-OD1 2.76Å; H354-V514 WeakPolarHBondContact CB-O 3.2Å; H354-F515 HydrophobicContact CB-CD1 3.45Å; H354-F515 VanDerWaalsContact CB-CD1 3.45Å; H354-F515 HydrophobicContact CB-CE1 3.67Å; H354-F515 HydrophobicContact CB-CG 4.07Å; H354-F515 HydrophobicContact CB-CZ 4.47Å; H354-F515 AromaticContact CD2-CE1 3.96Å; H354-F515 AromaticContact CG-CD1 3.87Å; H354-F515 AromaticContact CG-CE1 3.51Å; H354-F515 AromaticContact ND1-CE1 3.66Å
355L95.5Very high84.8Confident0 Ų064.1 Ų64.10%036%0.361CS..EExtended strand (participates in β ladder)trans-94.3125.8177.8-48.5-179.1000110.1L327 L330 R331 F334 V341 L342 D343 I357 N513 V514L327-L355 HydrophobicContact CD2-CD1 4.35Å; L327-L355 HydrophobicContact CD2-CD2 4.23Å; L327-L355 HydrophobicContact CD2-CG 3.91Å; L330-L355 HydrophobicContact CB-CD1 3.74Å; R331-L355 HydrophobicContact CG-CD1 3.74Å; R331-L355 HydrophobicContact CG-CD2 3.49Å; R331-L355 VanDerWaalsContact CG-CD2 3.49Å; R331-L355 HydrophobicContact CG-CG 4.28Å; F334-L355 HydrophobicContact CD2-CD1 4.05Å; F334-L355 HydrophobicContact CE2-CD1 4.13Å; V341-L355 HydrophobicContact CG1-CB 4.15Å; V341-L355 HydrophobicContact CG1-CD1 4.28Å; V341-L355 HydrophobicContact CG1-CD2 4.3Å; V341-L355 HydrophobicContact CG1-CG 4.48Å; L342-L355 CarbonylContact O-C 3.28Å; D343-L355 WeakPolarHBondContact OD1-CD2 3.36Å; L355-I357 HydrophobicContact CB-CG2 4.3Å; L355-N513 CarbonylContact O-C 3.54Å; L355-N513 WeakPolarHBondContact O-CA 3.29Å; L355-V514 HydrophobicContact CB-CB 4.26Å; L355-V514 PolarHBondContact N-O 3Å; L355-V514 PolarHBondContact O-N 2.56Å
356N95.1Very high84.3Confident6 Ų661.5 Ų61.53%0.03235%0.351CS..EExtended strand (participates in β ladder)trans-91.4112.5162.9-173.1-88000108.6V341 L342 Q344 Q511 A512 N513 I592V341-N356 WeakPolarHBondContact CA-O 3.34Å; L342-N356 HydrophobicContact CB-CB 4.36Å; L342-N356 PolarHBondContact N-O 3.07Å; L342-N356 PolarHBondContact O-N 3.44Å; Q344-N356 HydrophobicContact CG-CB 3.96Å; N356-Q511 PolarHBondContact OD1-NE2 3.44Å; N356-A512 WeakPolarHBondContact CA-O 3.42Å; N356-N513 PolarHBondContact ND2-OD1 2.94Å; N356-I592 WeakPolarHBondContact ND2-CD1 3.44Å
357I95.9Very high83.9Confident0 Ų061.4 Ų61.40%035%0.352CS..EExtended strand (participates in β ladder)trans-103.6142.4-179.863.9169.8000110.5F334 M339 K340 V341 L355 Q511 A512 V514 I603F334-I357 HydrophobicContact CB-CG2 4.3Å; F334-I357 HydrophobicContact CD1-CD1 4.33Å; F334-I357 HydrophobicContact CD2-CG2 3.54Å; F334-I357 HydrophobicContact CE1-CD1 4.04Å; F334-I357 HydrophobicContact CE2-CG2 3.9Å; F334-I357 HydrophobicContact CG-CG2 3.89Å; F334-I357 HydrophobicContact CZ-CD1 4.13Å; M339-I357 HydrophobicContact SD-CB 4.33Å; M339-I357 HydrophobicContact SD-CD1 4Å; K340-I357 CarbonylContact O-C 3.6Å; K340-I357 VanDerWaalsContact O-CA 3.32Å; K340-I357 WeakPolarHBondContact O-CA 3.2Å; V341-I357 HydrophobicContact CG1-CG2 4.34Å; V341-I357 HydrophobicContact CG2-CG2 4.32Å; L355-I357 HydrophobicContact CB-CG2 4.3Å; I357-Q511 CarbonylContact O-C 3.42Å; I357-Q511 VanDerWaalsContact O-CA 3.24Å; I357-Q511 WeakPolarHBondContact O-CA 3.12Å; I357-A512 HydrophobicContact CD1-CB 4.26Å; I357-A512 HydrophobicContact CG1-CB 3.93Å; I357-A512 WeakPolarHBondContact CG1-O 3.37Å; I357-A512 PolarHBondContact N-O 3.07Å; I357-A512 PolarHBondContact O-N 3.12Å; I357-V514 HydrophobicContact CD1-CG2 3.81Å; I357-V514 HydrophobicContact CG1-CG2 4.03Å; I357-V514 HydrophobicContact CG2-CG2 4.21Å; I357-I603 HydrophobicContact CD1-CD1 4.4Å
358T96.2Very high83.6Confident27 Ų2759 Ų5917%0.16634%0.343CS..EExtended strand (participates in β ladder)trans-137.3128.1172.5-52.50000109.9M339 K340 H508 I510M339-T358 CarbonylContact C-O 3.56Å; M339-T358 WeakPolarHBondContact CA-O 3.24Å; K340-T358 PolarHBondContact N-O 2.71Å; K340-T358 PolarHBondContact O-N 3.2Å; T358-H508 HydrophobicContact CG2-CB 3.82Å; T358-I510 CarbonylContact C-O 3.54Å; T358-I510 WeakPolarHBondContact CA-O 3.46Å
359A94.8Very high84.2Confident1 Ų161.9 Ų61.91%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-125.1128.4177.400000111M339 W364 H508 V509 I510M339-A359 HydrophobicContact CB-CB 4.49Å; M339-A359 HydrophobicContact CE-CB 4.07Å; M339-A359 HydrophobicContact CG-CB 3.79Å; M339-A359 HydrophobicContact SD-CB 4.31Å; A359-W364 HydrophobicContact CB-CH2 3.75Å; A359-W364 HydrophobicContact CB-CZ3 3.54Å; A359-H508 CarbonylContact O-C 3.54Å; A359-H508 WeakPolarHBondContact O-CB 3.45Å; A359-V509 WeakPolarHBondContact O-CA 3.42Å; A359-V509 WeakPolarHBondContact O-CB 3.43Å; A359-V509 PolarHBondContact O-N 2.87Å; A359-I510 HydrophobicContact CB-CG2 3.93Å; A359-I510 PolarHBondContact N-O 3.23Å; A359-I510 PolarHBondContact O-N 3.23Å
360T92.6Very high84.8Confident91 Ų9158.7 Ų58.756%0.55831%0.314SS*.SBendtrans-92.9-12.9174.952.70000113.2H508 V509T360-H508 HydrophobicContact CG2-CB 4.34Å; T360-V509 WeakPolarHBondContact O-CG2 3.43Å
361V90.1Very high85.3Confident92 Ų9258.6 Ų58.656%0.55831%0.306SS*.SBendtrans-135.3139.9-179.5-176.80000109.6T363 W364V361-T363 HydrophobicContact CB-CG2 4.39Å; V361-T363 HydrophobicContact CG1-CG2 4.24Å; V361-T363 PolarHBondContact O-N 2.92Å; V361-W364 VanDerWaalsContact O-CZ3 3.29Å; V361-W364 WeakPolarHBondContact O-CZ3 3.5Å
362N88.8Confident85.6Confident55 Ų5563 Ų6329%0.29431%0.31SS..  trans-78.896174.8-173.1-21.4000110.7W364 T365 V509 Q602N362-W364 HydrophobicContact CB-CH2 4.36Å; N362-W364 HydrophobicContact CB-CZ2 4.17Å; N362-W364 VanDerWaalsContact OD1-CE2 3.26Å; N362-W364 PolarHBondContact OD1-NE1 3.5Å; N362-T365 VanDerWaalsContact CG-OG1 3.25Å; N362-T365 PolarHBondContact ND2-OG1 3.36Å; N362-T365 VanDerWaalsContact OD1-CB 3.24Å; N362-T365 WeakPolarHBondContact OD1-CB 3.27Å; N362-T365 PolarHBondContact OD1-N 3.42Å; N362-T365 VanDerWaalsContact OD1-N 3.12Å; N362-T365 PolarHBondContact OD1-OG1 2.68Å; N362-V509 HydrophobicContact CB-CG1 4.42Å; N362-Q602 PolarHBondContact ND2-OE1 3.2Å
363T89.9Confident85.3Confident45 Ų4564.8 Ų64.828%0.27630%0.303SS..  trans-100.1-15.7-178.153.80000113.5L337 V361 T367L337-T363 WeakPolarHBondContact CB-OG1 3.49Å; L337-T363 WeakPolarHBondContact O-CB 3.49Å; L337-T363 WeakPolarHBondContact O-CG2 3.26Å; L337-T363 PolarHBondContact O-OG1 3.4Å; V361-T363 HydrophobicContact CB-CG2 4.39Å; V361-T363 HydrophobicContact CG1-CG2 4.24Å; V361-T363 PolarHBondContact O-N 2.92Å; T363-T367 WeakPolarHBondContact O-CG2 3.32Å
364W86.3Confident85Confident4 Ų466.1 Ų66.12%0.01531%0.313CS..SBendtrans-87.3-29.7-175.151.888.2000113.5L337 M339 A359 V361 N362 T367 V509 I510 A599 I603 Y606L337-W364 HydrophobicContact CD1-CB 4.08Å; L337-W364 HydrophobicContact CD2-CB 4.02Å; M339-W364 HydrophobicContact CE-CD2 4.11Å; M339-W364 HydrophobicContact CE-CE3 3.23Å; M339-W364 HydrophobicContact CE-CH2 4.14Å; M339-W364 HydrophobicContact CE-CZ3 3.26Å; A359-W364 HydrophobicContact CB-CH2 3.75Å; A359-W364 HydrophobicContact CB-CZ3 3.54Å; V361-W364 VanDerWaalsContact O-CZ3 3.29Å; V361-W364 WeakPolarHBondContact O-CZ3 3.5Å; N362-W364 HydrophobicContact CB-CH2 4.36Å; N362-W364 HydrophobicContact CB-CZ2 4.17Å; N362-W364 VanDerWaalsContact OD1-CE2 3.26Å; N362-W364 PolarHBondContact OD1-NE1 3.5Å; W364-T367 VanDerWaalsContact O-CG2 3.32Å; W364-T367 WeakPolarHBondContact O-CG2 3.3Å; W364-T367 PolarHBondContact O-N 3.26Å; W364-T367 PolarHBondContact O-OG1 3.16Å; W364-V509 HydrophobicContact CH2-CB 4.26Å; W364-V509 HydrophobicContact CH2-CG1 3.73Å; W364-V509 HydrophobicContact CZ2-CG1 3.8Å; W364-I510 HydrophobicContact CH2-CG2 3.8Å; W364-I510 HydrophobicContact CZ2-CG2 4.24Å; W364-A599 HydrophobicContact CZ2-CB 3.76Å; W364-I603 HydrophobicContact CD2-CD1 4.24Å; W364-I603 HydrophobicContact CD2-CG1 3.67Å; W364-I603 HydrophobicContact CE3-CD1 4.45Å; W364-I603 HydrophobicContact CE3-CG1 4.23Å; W364-I603 HydrophobicContact CG-CG1 3.86Å; W364-I603 HydrophobicContact CH2-CD1 4.31Å; W364-I603 HydrophobicContact CZ2-CD1 4.12Å; W364-I603 HydrophobicContact CZ2-CG1 4.26Å; W364-I603 HydrophobicContact CZ3-CD1 4.49Å; W364-Y606 HydrophobicContact CB-CD2 4.12Å; W364-Y606 HydrophobicContact CB-CG 4.03Å
365T81.9Confident84.6Confident37 Ų3771.4 Ų71.423%0.22734%0.338CS..THydrogen-bonded Turntrans-69.5140.7-178.7-530000110.7N362 T367 Q602N362-T365 VanDerWaalsContact CG-OG1 3.25Å; N362-T365 PolarHBondContact ND2-OG1 3.36Å; N362-T365 VanDerWaalsContact OD1-CB 3.24Å; N362-T365 WeakPolarHBondContact OD1-CB 3.27Å; N362-T365 PolarHBondContact OD1-N 3.42Å; N362-T365 VanDerWaalsContact OD1-N 3.12Å; N362-T365 PolarHBondContact OD1-OG1 2.68Å; T365-T367 PolarHBondContact O-N 3.31Å; T365-Q602 PolarHBondContact OG1-OE1 3.05Å; T365-Q602 VanDerWaalsContact OG1-OE1 3.07Å
366H75.7Confident84.1Confident124 Ų12479.2 Ų79.257%0.57437%0.367SS*.THydrogen-bonded Turntrans58.212.9-176.8-56.4-56.8000116.3R368 R369 K370H366-R368 PolarHBondContact O-N 2.96Å; H366-R368 VanDerWaalsContact O-N 3.17Å; H366-R369 HydrophobicContact CB-CB 4.31Å; H366-R369 WeakPolarHBondContact O-CA 3.4Å; H366-R369 WeakPolarHBondContact O-CB 3.25Å; H366-R369 PolarHBondContact O-N 2.85Å; H366-K370 PolarHBondContact O-N 3.41Å
367T73.7Confident83.6Confident29 Ų2983 Ų8318%0.17839%0.387CS..Hα-helixtrans-52.9-37.5176.839.20000113.5T363 W364 T365 R371 Y606T363-T367 WeakPolarHBondContact O-CG2 3.32Å; W364-T367 VanDerWaalsContact O-CG2 3.32Å; W364-T367 WeakPolarHBondContact O-CG2 3.3Å; W364-T367 PolarHBondContact O-N 3.26Å; W364-T367 PolarHBondContact O-OG1 3.16Å; T365-T367 PolarHBondContact O-N 3.31Å; T367-R371 WeakPolarHBondContact O-CB 3.24Å; T367-R371 WeakPolarHBondContact O-CG 3.47Å; T367-R371 PolarHBondContact O-N 3.36Å; T367-Y606 HydrophobicContact CG2-CD2 4.24Å; T367-Y606 HydrophobicContact CG2-CE2 3.97Å; T367-Y606 WeakPolarHBondContact OG1-CD2 3.21Å
368R71Confident83.1Confident148 Ų14887.4 Ų87.456%0.55841%0.41SS*.Hα-helixtrans-64.7-41.1173.8-172-178.2-174.1-174.76.1112.7H366 R372H366-R368 PolarHBondContact O-N 2.96Å; H366-R368 VanDerWaalsContact O-N 3.17Å; R368-R372 WeakPolarHBondContact O-CB 3.34Å; R368-R372 WeakPolarHBondContact O-CG 3.31Å; R368-R372 PolarHBondContact O-N 2.8Å; R368-R372 VanDerWaalsContact O-N 3.08Å
369R74.2Confident82.5Confident166 Ų16691.9 Ų91.963%0.62643%0.43SS*.Hα-helixtrans-65.5-47.6177.2-177.1178.7177.4168.11.4109.9H366 R371 R372 E373H366-R369 HydrophobicContact CB-CB 4.31Å; H366-R369 WeakPolarHBondContact O-CA 3.4Å; H366-R369 WeakPolarHBondContact O-CB 3.25Å; H366-R369 PolarHBondContact O-N 2.85Å; R369-R371 PolarHBondContact O-N 3.06Å; R369-R372 PolarHBondContact O-N 3.2Å; R369-E373 WeakPolarHBondContact O-CB 3.41Å; R369-E373 PolarHBondContact O-N 2.89Å
370K75.8Confident81.8Confident116 Ų11694.5 Ų94.550%0.50445%0.449SS..Hα-helixtrans-57-47.6175.6-67.2178.9179.3177.50111.8H366 R372 E373 V374H366-K370 PolarHBondContact O-N 3.41Å; K370-R372 PolarHBondContact O-N 2.9Å; K370-E373 PolarHBondContact O-N 3.42Å; K370-V374 WeakPolarHBondContact O-CG2 3.48Å; K370-V374 PolarHBondContact O-N 3.25Å
371R76.2Confident81Confident115 Ų11595.7 Ų95.743%0.43445%0.448SS..Hα-helixtrans-59.6-44.8176.3-78.6-172.8-77.9169.7-5.3113T367 R369 E373 V374 Q375T367-R371 WeakPolarHBondContact O-CB 3.24Å; T367-R371 WeakPolarHBondContact O-CG 3.47Å; T367-R371 PolarHBondContact O-N 3.36Å; R369-R371 PolarHBondContact O-N 3.06Å; R371-E373 VanDerWaalsContact C-N 3.29Å; R371-E373 PolarHBondContact O-N 3.3Å; R371-V374 PolarHBondContact O-N 3.24Å; R371-Q375 WeakPolarHBondContact O-CB 3.11Å; R371-Q375 PolarHBondContact O-N 2.88Å
372R79.6Confident80.1Confident131 Ų13196.9 Ų96.949%0.49445%0.447SS..Hα-helixtrans-67.1-29.5177.6-75.7175.2168.1-173.8-9.9113.4R368 R369 K370 R376R368-R372 WeakPolarHBondContact O-CB 3.34Å; R368-R372 WeakPolarHBondContact O-CG 3.31Å; R368-R372 PolarHBondContact O-N 2.8Å; R368-R372 VanDerWaalsContact O-N 3.08Å; R369-R372 PolarHBondContact O-N 3.2Å; K370-R372 PolarHBondContact O-N 2.9Å; R372-R376 WeakPolarHBondContact O-CB 3.45Å; R372-R376 WeakPolarHBondContact O-CG 3.32Å; R372-R376 PolarHBondContact O-N 3.14Å; R372-R376 VanDerWaalsContact O-N 3.1Å; R372-R376 PolarHBondContact O-NE 3Å
373E77.5Confident78.9Confident98 Ų9897.2 Ų97.246%0.45845%0.454SS..Hα-helixtrans-72.7-46.4175.6-170.8163.1-162.300110.7R369 K370 R371 Q375 R376 I377R369-E373 WeakPolarHBondContact O-CB 3.41Å; R369-E373 PolarHBondContact O-N 2.89Å; K370-E373 PolarHBondContact O-N 3.42Å; R371-E373 VanDerWaalsContact C-N 3.29Å; R371-E373 PolarHBondContact O-N 3.3Å; E373-Q375 PolarHBondContact O-N 2.87Å; E373-R376 PolarHBondContact O-N 2.79Å; E373-I377 HydrophobicContact CG-CD1 4.33Å; E373-I377 WeakPolarHBondContact O-CG1 3.32Å; E373-I377 PolarHBondContact O-N 3.07Å
374V81.3Confident77.4Confident93 Ų93100.6 Ų100.656%0.56447%0.47SS*.Hα-helixtrans-58.8-45.7172.6174.70000111.5K370 R371 R376 I377 L378K370-V374 WeakPolarHBondContact O-CG2 3.48Å; K370-V374 PolarHBondContact O-N 3.25Å; R371-V374 PolarHBondContact O-N 3.24Å; V374-R376 VanDerWaalsContact C-N 3.33Å; V374-R376 PolarHBondContact O-N 3.11Å; V374-I377 PolarHBondContact O-N 3.31Å; V374-L378 PolarHBondContact O-N 2.93Å
375Q84Confident75.9Confident122 Ų122105.5 Ų105.557%0.5750%0.501SS*.Hα-helixtrans-64-37.6178.4-168.1173.37.500112.2R371 E373 L378 M379R371-Q375 WeakPolarHBondContact O-CB 3.11Å; R371-Q375 PolarHBondContact O-N 2.88Å; E373-Q375 PolarHBondContact O-N 2.87Å; Q375-L378 PolarHBondContact O-N 2.94Å; Q375-M379 HydrophobicContact CG-SD 4.24Å; Q375-M379 WeakPolarHBondContact O-CB 3.34Å; Q375-M379 VanDerWaalsContact O-CG 3.25Å; Q375-M379 WeakPolarHBondContact O-CG 3.47Å; Q375-M379 PolarHBondContact O-N 2.84Å
376R85Confident74.6Confident163 Ų163110.5 Ų110.562%0.61553%0.525SS*.Hα-helixtrans-63.5-43.3173.7-84.4-175.7-77.3177.20.4112R372 E373 V374 L378 M379 S380R372-R376 WeakPolarHBondContact O-CB 3.45Å; R372-R376 WeakPolarHBondContact O-CG 3.32Å; R372-R376 PolarHBondContact O-N 3.14Å; R372-R376 VanDerWaalsContact O-N 3.1Å; R372-R376 PolarHBondContact O-NE 3Å; E373-R376 PolarHBondContact O-N 2.79Å; V374-R376 VanDerWaalsContact C-N 3.33Å; V374-R376 PolarHBondContact O-N 3.11Å; R376-L378 VanDerWaalsContact C-N 3.35Å; R376-M379 PolarHBondContact O-N 3.41Å; R376-S380 PolarHBondContact O-N 2.99Å; R376-S380 PolarHBondContact O-OG 3.2Å
377I84.3Confident73.4Confident86 Ų86111.5 Ų111.544%0.44153%0.534SS..Hα-helixtrans-63.6-41.6176.5-65.9164.8000110.8E373 V374 S380 Q381E373-I377 HydrophobicContact CG-CD1 4.33Å; E373-I377 WeakPolarHBondContact O-CG1 3.32Å; E373-I377 PolarHBondContact O-N 3.07Å; V374-I377 PolarHBondContact O-N 3.31Å; I377-S380 WeakPolarHBondContact CA-OG 3.48Å; I377-S380 PolarHBondContact O-N 3.15Å; I377-S380 PolarHBondContact O-OG 3.36Å; I377-Q381 WeakPolarHBondContact O-CG 3.35Å; I377-Q381 PolarHBondContact O-N 2.87Å
378L86Confident72.2Confident93 Ų93117.3 Ų117.349%0.48756%0.564SS.*Hα-helixtrans-65.9-41.7178.2-141.791.6000111.8V374 Q375 R376 Q381 Q382V374-L378 PolarHBondContact O-N 2.93Å; Q375-L378 PolarHBondContact O-N 2.94Å; R376-L378 VanDerWaalsContact C-N 3.35Å; L378-Q381 PolarHBondContact O-N 2.97Å; L378-Q382 PolarHBondContact O-N 2.87Å; L378-Q382 VanDerWaalsContact O-N 3.1Å
379M83Confident70.6Confident121 Ų121113 Ų11360%0.59657%0.566SS**Hα-helixtrans-67.3-38.3177.4-71178.792.200111.8Q375 R376 Q381 Q382 S383Q375-M379 HydrophobicContact CG-SD 4.24Å; Q375-M379 WeakPolarHBondContact O-CB 3.34Å; Q375-M379 VanDerWaalsContact O-CG 3.25Å; Q375-M379 WeakPolarHBondContact O-CG 3.47Å; Q375-M379 PolarHBondContact O-N 2.84Å; R376-M379 PolarHBondContact O-N 3.41Å; M379-Q381 VanDerWaalsContact C-N 3.34Å; M379-Q382 PolarHBondContact O-N 3.23Å; M379-S383 PolarHBondContact O-N 3.42Å; M379-S383 VanDerWaalsContact O-N 3.11Å; M379-S383 PolarHBondContact O-OG 3.03Å
380S80.2Confident68.8Low56 Ų56113.1 Ų113.139%0.39258%0.579SS.*Hα-helixtrans-65.1-37.6174.354.40000112.3R376 I377 S383 D384R376-S380 PolarHBondContact O-N 2.99Å; R376-S380 PolarHBondContact O-OG 3.2Å; I377-S380 WeakPolarHBondContact CA-OG 3.48Å; I377-S380 PolarHBondContact O-N 3.15Å; I377-S380 PolarHBondContact O-OG 3.36Å; S380-S383 WeakPolarHBondContact CA-OG 3.39Å; S380-S383 PolarHBondContact O-N 3.12Å; S380-S383 PolarHBondContact O-OG 2.77Å; S380-D384 PolarHBondContact O-N 2.83Å
381Q77.1Confident67Low116 Ų116112.8 Ų112.854%0.54259%0.589SS.*Hα-helixtrans-68.2-34.8177.5-73.1173.8000112.6I377 L378 M379 T385I377-Q381 WeakPolarHBondContact O-CG 3.35Å; I377-Q381 PolarHBondContact O-N 2.87Å; L378-Q381 PolarHBondContact O-N 2.97Å; M379-Q381 VanDerWaalsContact C-N 3.34Å; Q381-T385 PolarHBondContact O-N 3.23Å; Q381-T385 PolarHBondContact O-OG1 2.82Å
382Q71.4Confident65.2Low116 Ų116113.1 Ų113.154%0.54260%0.604SS.*Hα-helixtrans-72.6-35.2176-73.7-179.9600112.9L378 M379 D384 T385 I386L378-Q382 PolarHBondContact O-N 2.87Å; L378-Q382 VanDerWaalsContact O-N 3.1Å; M379-Q382 PolarHBondContact O-N 3.23Å; Q382-D384 VanDerWaalsContact C-N 3.31Å; Q382-D384 PolarHBondContact O-N 3.26Å; Q382-T385 PolarHBondContact O-N 2.96Å; Q382-I386 PolarHBondContact O-N 3.17Å
383S62.8Low63.2Low62 Ų62113.5 Ų113.543%0.43462%0.615SS.*Hα-helixtrans-66.6-32.7174.346.90000112.7M379 S380 T385M379-S383 PolarHBondContact O-N 3.42Å; M379-S383 VanDerWaalsContact O-N 3.11Å; M379-S383 PolarHBondContact O-OG 3.03Å; S380-S383 WeakPolarHBondContact CA-OG 3.39Å; S380-S383 PolarHBondContact O-N 3.12Å; S380-S383 PolarHBondContact O-OG 2.77Å; S383-T385 VanDerWaalsContact C-N 3.26Å; S383-T385 PolarHBondContact O-N 3.3Å
384D58.5Low61.4Low116 Ų116114.9 Ų114.962%0.6263%0.626SS**Hα-helixtrans-72.7-18.7176.7-67.9-21.7000112.9S380 Q382S380-D384 PolarHBondContact O-N 2.83Å; Q382-D384 VanDerWaalsContact C-N 3.31Å; Q382-D384 PolarHBondContact O-N 3.26Å
385T55.3Low59.4Low107 Ų107116.9 Ų116.966%0.65663%0.634SS**Hα-helixtrans-86.7-23178-12.20000113.7Q381 Q382 S383Q381-T385 PolarHBondContact O-N 3.23Å; Q381-T385 PolarHBondContact O-OG1 2.82Å; Q382-T385 PolarHBondContact O-N 2.96Å; S383-T385 VanDerWaalsContact C-N 3.26Å; S383-T385 PolarHBondContact O-N 3.3Å
386I54.1Low57.2Low142 Ų142116 Ų11673%0.72864%0.641SS**Hα-helixtrans-85.5-23-178.4-63.8173.9000111.9Q382Q382-I386 PolarHBondContact O-N 3.17Å
387N50.5Low55Low145 Ų145114.4 Ų114.478%0.77565%0.649SS**SBendtrans-90.85.6-178.1-87.7-12.5000115.6
388N49.3Very low52.7Low152 Ų152114.6 Ų114.681%0.81366%0.658SS**SBendtrans-11925.7-174.2-99.1-17.2000115.5
389G37.2Very low50.4Low58 Ų58117.6 Ų117.660%0.59868%0.675SS**  trans-133.190176.200000113.9
390N36Very low48.3Very low167 Ų167120.1 Ų120.189%0.89369%0.685SS**  trans170.7121.9136.2-91.3-13.7000111.9
391P38.7Very low46.4Very low110 Ų110125.9 Ų125.971%0.71470%0.703SS**  trans-106.5129155.729.1-15.4000112
392T37.1Very low44.5Very low121 Ų121127.2 Ų127.274%0.74271%0.714SS**  trans62.1114.6144.661.30000120.2
393N39Very low42.7Very low139 Ų139129.6 Ų129.674%0.74373%0.729SS**  -179.9130.6110.4-89.3-17.1000113.6
394N39.5Very low41.3Very low127 Ų127136 Ų13668%0.67976%0.755SS**  trans73.9122.5137.5-67.69.9000123.6
395D39Very low40Very low135 Ų135139.3 Ų139.372%0.72277%0.767SS**  trans83.6102.3130.4-60.5-22.9000121.7
396S37.6Very low38.9Very low104 Ų104140.8 Ų140.873%0.72778%0.78SS**  90.2119.7117.273.90000120.8
397V38Very low37.8Very low130 Ų130137.1 Ų137.179%0.78878%0.776SS**  trans92.4104135.91800000119.8
398S35.8Very low36.9Very low89 Ų89139.5 Ų139.562%0.62278%0.78SS**  trans48.8121.4140.769.70000122.1
399N38.5Very low36.1Very low157 Ų157139.2 Ų139.284%0.8478%0.779SS**  -170.6140.7106.2-94.7-25000112.6
400E38.5Very low35.8Very low174 Ų174141.9 Ų141.981%0.81378%0.784SS**  trans-63.7149.8179.2-61.216613300113.6
401K40.3Very low35.7Very low177 Ų177141.8 Ų141.877%0.7778%0.783SS**  176.2131.6111.2-97.7178.4179.8179.30114.6
402D36.8Very low35.4Very low143 Ų143142.9 Ų142.977%0.76579%0.788SS**  trans81.2104.8140.9-55.5-24.4000121.5
403L33.5Very low35.4Very low167 Ų167143.7 Ų143.787%0.87479%0.792SS**  trans-63.6147.8153.5-76.4103.9000112.1
404M34.9Very low35Very low197 Ų197142.3 Ų142.397%0.9779%0.794SS**  trans-161.6125.4131-111-162.3-170.100112.2
405E30.3Very low34.9Very low185 Ų185141.3 Ų141.386%0.86480%0.797SS**  trans-82.7145.8162.6-88179.8138.100111.5
406C32.9Very low34.7Very low138 Ų138145.9 Ų145.993%0.93280%0.804SS**  trans156.6127.4150.2-95.20000106
407G31.4Very low34.5Very low64 Ų64148.2 Ų148.266%0.6681%0.808SS**  cis113.2116.346.300000108.4
408F30.7Very low34.4Very low196 Ų196150.4 Ų150.486%0.8681%0.814SS**  trans63.7119.3163.3-69.2-89.4000120.3
409N32.9Very low34.1Very low145 Ų145151.3 Ų151.378%0.77582%0.821SS**  175.9145.999.8-95.5-31000114.2
410T29.8Very low34Very low115 Ų115152.4 Ų152.471%0.70682%0.818SS**  trans-58.2145.2172.846.70000114.3
411N34.3Very low33.8Very low164 Ų164154.5 Ų154.588%0.87782%0.819SS**  trans-129.197.6159.4-91.3-29000110.6
412T31.7Very low33.4Very low134 Ų134153.1 Ų153.182%0.82282%0.818SS**  trans-81.2128.3156.633.50000109.5
413V38.6Very low33.4Very low137 Ų137154.8 Ų154.883%0.8382%0.821SS**  trans-105.7116.2169.6177.30000109
414S29.7Very low33.3Very low110 Ų110153.1 Ų153.177%0.76981%0.813SS**  trans-84.9143174.5135.20000110.7
415S37.3Very low33.4Very low106 Ų106151.2 Ų151.274%0.74181%0.807SS**  trans-148.293.3163.3-62.80000111.6
416R35.8Very low33.7Very low232 Ų232149.2 Ų149.288%0.87580%0.802SS**  trans62.1100.9137.1-60.8179.9-170.5177.12.9121
417N32.4Very low34Very low152 Ų152148.2 Ų148.281%0.81379%0.794SS**  25.3122.5124.7-66.7-12.6000120.8
418L37.4Very low34.5Very low176 Ų176152.5 Ų152.592%0.92180%0.802SS**  trans-158.9108132-111.7134.6000110.3
419S28.7Very low34.6Very low109 Ų109151.8 Ų151.876%0.76280%0.801SS**  trans-100.9136.9173.831.10000110.4
420K36.7Very low34.9Very low179 Ų179151 Ų15178%0.77880%0.801SS**  trans-152.9112.7161.3-102.4-179.7-176.5177.70111.3
421R33.4Very low35.2Very low219 Ų219152.2 Ų152.283%0.82680%0.803SS**  trans53.1109.3141.6-55.5-177.5-162.6-161.12.3117.9
422I32.3Very low35Very low147 Ų147152 Ų15275%0.75480%0.802SS**  58.3105.274.2-53.7173000113.5
423H36.7Very low35.2Very low178 Ų178151.6 Ų151.682%0.82481%0.805SS**  -168.7129.7115.7-115.8-70.8000111.4
424D31.8Very low34.9Very low133 Ų133150.7 Ų150.771%0.71180%0.804SS**  trans-69.9152.8168.2-64-62.8000111.8
425D36.9Very low35.3Very low156 Ų156155 Ų15583%0.83481%0.812SS**  168.6147117.6-84.7-31.7000113.1
426D37.2Very low35Very low144 Ų144155 Ų15577%0.7781%0.812SS**  trans80.9117.2165.6-85.9-18.1000123.6
427P38.9Very low35Very low117 Ų117154.4 Ų154.476%0.7682%0.816SS**  trans-108.9137.5144.235.4-21.7000111.7
428D40.4Very low35Very low154 Ų154152.2 Ų152.282%0.82481%0.808SS**  trans-127.3124.3164.9-98-31.4000111.3
429E33Very low34.8Very low181 Ų181152.2 Ų152.285%0.84680%0.804SS**  trans-62.9161.7163.7-68.3179.3131.800110.9
430V40.1Very low35.1Very low127 Ų127152.8 Ų152.877%0.7781%0.808SS**  170.5118129.21580000111.4
431N35.9Very low34.6Very low141 Ų141150.6 Ų150.675%0.75481%0.809SS**  trans62.8104.4143.3-64.6-17.4000123.6
432N30.7Very low34.8Very low161 Ų161146.2 Ų146.286%0.86181%0.812SS**  4.7128.8120.8-70.6-25.9000119.3
433S35.5Very low34.7Very low125 Ų125146.7 Ų146.787%0.87481%0.811SS**  trans-153.8111.313361.10000110.5
434S31.6Very low34.6Very low117 Ų117144.7 Ų144.782%0.81881%0.812SS**  trans-86.3132168.946.90000110.4
435E37.5Very low34.7Very low202 Ų202145.5 Ų145.594%0.94481%0.809SS**  trans-127.1119.4156.2-81.9-168.3163.200110.1
436S31.8Very low34.6Very low105 Ų105145.9 Ų145.973%0.73481%0.806SS**  trans-89.1138.4175.5500000110.8
437F35.7Very low34.4Very low219 Ų219144.4 Ų144.496%0.96181%0.807SS**  trans-13190.4157.3-125-89.3000109.5
438T32.1Very low34.1Very low106 Ų106144 Ų14465%0.6581%0.807SS**  trans-69156.5148.641.60000108
439Q34.7Very low33.8Very low176 Ų176142.1 Ų142.182%0.82281%0.806SS**  cis-170.6145.621.1-125165.5-5.700102.6
440S33.9Very low33.6Very low121 Ų121139.9 Ų139.985%0.84680%0.804SS**  -174.7122.198.755.70000111.1
441T27Very low33.3Very low133 Ų133140.6 Ų140.682%0.81681%0.809SS**  trans-85.4147.1167.238.20000111.5
442S36.3Very low33Very low127 Ų127142 Ų14289%0.88881%0.811SS**  trans-142121.8152.559.10000110.5
443E30.6Very low33Very low157 Ų157142.1 Ų142.173%0.73481%0.811SS**  trans-87.1154.6-174.4-53.9173.5143.300113.1
444T34.2Very low33Very low136 Ų136142.4 Ų142.483%0.83481%0.806SS**  trans-162106.3139.5-30.50000107.8
445K34.9Very low32.7Very low151 Ų151144.4 Ų144.466%0.65781%0.808SS**  48.6136.585.5-70.6-173.6-179172.20113.3
446Q34.4Very low32.7Very low163 Ų163140.3 Ų140.376%0.76280%0.799SS**  cis-176.7168.59.8-119.4171.3-4.500110.5
447S33.7Very low32.6Very low114 Ų114141.1 Ų141.180%0.79780%0.802SS**  trans100.5151.6152.387.90000118.7
448S31.8Very low32.2Very low107 Ų107140.8 Ų140.875%0.74880%0.8SS**  179134.4-68.155.70000107.8
449S34.5Very low32Very low115 Ų115147.3 Ų147.380%0.80481%0.812SS**  trans160.699.8149.645.10000108.4
450V29.7Very low31.8Very low135 Ų135143.1 Ų143.182%0.81881%0.808SS**  65.410379.8-175.70000114.1
451V33.1Very low31.6Very low142 Ų142148.9 Ų148.986%0.86181%0.811SS**  trans-144.4125.1141.8-1780000108
452E28.3Very low31.9Very low171 Ų171150.8 Ų150.880%0.79981%0.811SS**  trans-68.6150.8177.6-71.4171.5120.100113.4
453L32.5Very low31.6Very low163 Ų163151 Ų15185%0.85381%0.807SS**  trans-171.7103.2139.2-99.2145.8000111.5
454V33.9Very low31.8Very low130 Ų130155.2 Ų155.279%0.78882%0.816SS**  trans47.9120.3132.6-170.60000120.5
455N27Very low31.8Very low160 Ų160157.4 Ų157.486%0.85681%0.811SS**  trans-67.8148.4172.8-85.2-34.3000115.2
456P35.9Very low31.9Very low115 Ų115157.1 Ų157.175%0.74782%0.816SS**  trans-135.8169.6133.733.1-15.4000113.3
457P29.6Very low31.8Very low122 Ų122158.6 Ų158.679%0.79282%0.823SS**  trans-86.6164.6-152.934.7-34.4000115.5R459P457-R459 PolarHBondContact O-N 3.01Å
458K27.9Very low32Very low212 Ų212158.8 Ų158.892%0.92281%0.814SS**SBendtrans-29.697.6176.1-69.2177.4176.1177.50115.6
459R28.4Very low32Very low243 Ų243159 Ų15992%0.91781%0.814SS**  trans-179.2144.8145.1-105.7171.4178.8179.9-0.5108.2P457P457-R459 PolarHBondContact O-N 3.01Å
460A29.7Very low31.8Very low88 Ų88162.4 Ų162.473%0.72782%0.817SS**  trans86.970.9174.400000118.6
461R30.1Very low31.9Very low243 Ų243165.4 Ų165.492%0.91782%0.822SS**SBendtrans-157.7112.2146.5-99.3179.9166.6171.3-4103.3
462E32.7Very low31.7Very low172 Ų172162.1 Ų162.180%0.80482%0.818SS**  cis-141.299.420.4-75.2161.113400109.3R464E462-R464 PolarHBondContact O-N 3.42Å; E462-R464 VanDerWaalsContact O-N 3.11Å
463T30.8Very low31.7Very low133 Ų133160.4 Ų160.482%0.81681%0.809SS**THydrogen-bonded Turntrans-79.882.6170.58.20000109
464R34.4Very low31.4Very low244 Ų244158.4 Ų158.492%0.92180%0.8SS**THydrogen-bonded Turntrans-165.23.5157.1-114.1175-166.6-175.35.1115.8E462E462-R464 PolarHBondContact O-N 3.42Å; E462-R464 VanDerWaalsContact O-N 3.11Å
465Y35Very low31.2Very low183 Ų183156.1 Ų156.172%0.71879%0.794SS**SBendtrans-119.1-4.7179.5-99.3-90.1000115.3
466N36Very low31.5Very low144 Ų144152.7 Ų152.777%0.7777%0.769SS**SBendtrans-104.24.7-173.2-79.4-4.8000116.5I468N466-I468 VanDerWaalsContact C-N 3.32Å; N466-I468 PolarHBondContact O-N 3.43Å
467E33.4Very low31.4Very low194 Ų194150.9 Ų150.991%0.90776%0.759SS**THydrogen-bonded Turntrans-86.96.7175.9-83.6-179.9167.900114.3
468I36.5Very low31.9Very low118 Ų118147 Ų14761%0.60573%0.731SS**THydrogen-bonded Turntrans-101.1-4.7-176-64.4177000112.8N466N466-I468 VanDerWaalsContact C-N 3.32Å; N466-I468 PolarHBondContact O-N 3.43Å
469C31.8Very low32.1Very low111 Ų111139.6 Ų139.675%0.7572%0.715SS**SBendtrans-136.351.8-172.3-64.60000113.2
470E30.6Very low32.4Very low188 Ų188132.4 Ų132.488%0.87970%0.695SS**  trans-164.681.9165.6-112.8169.8-141.700110.6
471E31.6Very low32.7Very low197 Ų197133.7 Ų133.792%0.92169%0.686SS**  trans-179.4106.7154-101.5174-16200103.1
472G29.6Very low32.6Very low74 Ų74126 Ų12676%0.76367%0.668SS**  92.6119.272.500000106.3
473E28.1Very low32.5Very low134 Ų134124.7 Ų124.763%0.62666%0.662SS**SBendtrans-51.8147.8-173.3-62167.5134.100112.8R196R196-E473 IonicContact CZ-OE1 3.81Å; R196-E473 IonicContact NH1-OE1 2.56Å; R196-E473 PolarHBondContact NH1-OE1 3.02Å; R196-E473 IonicContact NH2-OE1 3.52Å
474D27.5Very low32.4Very low121 Ų121125.1 Ų125.165%0.64766%0.66SS**  trans68.293.1155.1-49.4-27.4000119.5E598D474-E598 HydrophobicContact CB-CG 4.32Å
475A29.7Very low32.1Very low82 Ų82118.5 Ų118.568%0.67866%0.657SS**  trans-164.4110.9143.300000110.8
476W33.2Very low31.8Very low88 Ų88115 Ų11533%0.33366%0.66SS.*  trans-91.9111.4172-7678.9000110.6K248 R597K248-W476 VanDerWaalsContact CE-CZ2 3.43Å; W476-R597 HydrophobicContact CB-CG 4.09Å
477C33Very low31.5Very low78 Ų78114.5 Ų114.553%0.52766%0.661SS.*  trans-101.2107.4157.4-75.60000108.8T595C477-T595 PolarHBondContact SG-O 2.89Å
478D39.4Very low31.3Very low39 Ų39112.4 Ų112.421%0.20966%0.656CS.*  trans-96.888.6160.9-75.4-37.7000107.6R255 D480 R597R255-D478 IonicContact CZ-OD1 3.51Å; R255-D478 IonicContact NH1-OD1 3.29Å; R255-D478 PolarHBondContact NH1-OD1 3.4Å; D478-D480 PolarHBondContact O-N 3.49Å; D478-R597 IonicContact OD2-CZ 3.73Å; D478-R597 IonicContact OD2-NH1 2.79Å; D478-R597 PolarHBondContact OD2-NH1 3.04Å; D478-R597 IonicContact OD2-NH2 3.57Å; D478-R597 PolarHBondContact OD2-NH2 3.18Å
479G31.8Very low31.1Very low57 Ų57116.9 Ų116.959%0.58867%0.672SS**  trans-80.198.6160.800000107.9
480D36.4Very low30.9Very low93 Ų93119.1 Ų119.150%0.49768%0.675SS.*  trans-169.243.3160.5-81.1-33.5000108.8D478D478-D480 PolarHBondContact O-N 3.49Å
481E35.1Very low31Very low114 Ų114116.7 Ų116.753%0.53367%0.667SS.*  trans-115.977.5172.9-74.9-173.2173.900108.9
482C28.8Very low30.9Very low81 Ų81113 Ų11355%0.54766%0.659SS.*  trans-160.456.2164.8-93.20000109.5
483E29.6Very low30.9Very low145 Ų145115 Ų11568%0.67866%0.659SS**SBendtrans-160126.2165.8-109.2164.2-143.200108.9
484N29.6Very low31Very low142 Ų142113.3 Ų113.376%0.75966%0.663SS**  trans94.260.4-175.5-51.6-42.2000117.3
485A28.3Very low31Very low105 Ų105114.3 Ų114.387%0.86867%0.668SS**  trans-138.960.3154.600000110.7
486S28.2Very low31.2Very low111 Ų111117.1 Ų117.178%0.77667%0.672SS**  trans-161.174.9169.5590000112.4
487V29.9Very low31.2Very low132 Ų132121.5 Ų121.580%0.870%0.696SS**  trans-140.6129.2156.8-176.60000107.7
488N29.2Very low30.9Very low150 Ų150125.9 Ų125.980%0.80271%0.713SS**  trans91.975.5177.7-57.8-21.5000117.7
489K32.3Very low30.4Very low213 Ų213129.5 Ų129.593%0.92674%0.739SS**  -164.3108.1121.5-104.9170.3-175.1-1780110.8
490I28.1Very low30.3Very low158 Ų158131.7 Ų131.781%0.8175%0.745SS**  trans-76.8123.9166.9-63.5167.5000107
491N31.7Very low30Very low136 Ų136134.3 Ų134.373%0.72777%0.765SS**  trans178.1113.1133.3-94.2-11.6000112.7
492T30.1Very low29.9Very low121 Ų121133.2 Ų133.274%0.74278%0.775SS**  trans64.1118.7133.4570000122.1
493C29.1Very low30.2Very low114 Ų114136.4 Ų136.477%0.7779%0.785SS**  trans98.897.6137.3-66.30000120.2
494S29.7Very low30.5Very low100 Ų100135.7 Ų135.770%0.69979%0.786SS**  75.7115120.3-550000121.3
495N28.8Very low31.5Very low142 Ų142134.2 Ų134.276%0.75978%0.782SS**  trans90.9121.3138.6-61.3-13.8000119.5
496N33.1Very low32.7Very low141 Ų141132.1 Ų132.175%0.75476%0.76SS**  trans102.9107.7147.2-61.3-9.3000118.6
497E33Very low35.1Very low180 Ų180131 Ų13184%0.84175%0.752SS**  trans73.4112.7138.7-61.8-178.1161.300119.3
498L26.7Very low37.7Very low170 Ų170126 Ų12689%0.8972%0.72SS**  trans-57.3146.5167.8-89.693.6000111.6
499P29.1Very low40.5Very low115 Ų115119.8 Ų119.875%0.74769%0.688SS**  -137.4135.611623.4-4.4000114.3
500S29.1Very low43.3Very low103 Ų103109.7 Ų109.772%0.7264%0.644SS**  trans30.9105.815262.20000119A502S500-A502 PolarHBondContact O-N 2.86Å
501T30Very low46.5Very low148 Ų148104.6 Ų104.691%0.90862%0.617SS**  trans-67.796.1163.636.40000111
502A33Very low49.4Very low91 Ų9198.1 Ų98.175%0.75258%0.582SS**  trans-71.4123.5159.800000108.6S500 D504S500-A502 PolarHBondContact O-N 2.86Å; A502-D504 PolarHBondContact O-N 2.9Å
503I36.7Very low52.4Low148 Ų14893.8 Ų93.876%0.75955%0.554SS**  trans-65.1110.8171.5-63167.5000106.7T505I503-T505 VanDerWaalsContact C-N 3.31Å; I503-T505 PolarHBondContact O-N 3.33Å
504D35.9Very low55.4Low129 Ų12988.3 Ų88.369%0.6952%0.518SS*.  trans-74.284.2-175.5-154.47.3000109.6A502 C506A502-D504 PolarHBondContact O-N 2.9Å; D504-C506 PolarHBondContact O-N 3.23Å
505T48.9Very low58.4Low111 Ų11185.7 Ų85.768%0.68149%0.494SS*.  trans-62.7115.9171.149.90000108.4I503 S507I503-T505 VanDerWaalsContact C-N 3.31Å; I503-T505 PolarHBondContact O-N 3.33Å; T505-S507 PolarHBondContact O-N 2.99Å
506C55.2Low61.4Low61 Ų6179.6 Ų79.641%0.41246%0.461SS..  trans-46.6103.6178.6-171.70000111.1D504 H508D504-C506 PolarHBondContact O-N 3.23Å; C506-H508 PolarHBondContact SG-CE1 3.11Å; C506-H508 PolarHBondContact SG-NE2 3.02Å; C506-H508 VanDerWaalsContact SG-NE2 3.42Å
507S77.5Confident64.1Low87 Ų8775.7 Ų75.761%0.60844%0.439SS*.  trans-90.9-10.6-169.960.40000113.5T505T505-S507 PolarHBondContact O-N 2.99Å
508H84.7Confident66.7Low28 Ų2869.9 Ų69.913%0.1341%0.409CS..  trans-92.6147.8-178.454.6-91.2000113.4T358 A359 T360 C506 I510 Q511 S593 G594 T595T358-H508 HydrophobicContact CG2-CB 3.82Å; A359-H508 CarbonylContact O-C 3.54Å; A359-H508 WeakPolarHBondContact O-CB 3.45Å; T360-H508 HydrophobicContact CG2-CB 4.34Å; C506-H508 PolarHBondContact SG-CE1 3.11Å; C506-H508 PolarHBondContact SG-NE2 3.02Å; C506-H508 VanDerWaalsContact SG-NE2 3.42Å; H508-I510 VanDerWaalsContact CD2-C 3.45Å; H508-Q511 PolarHBondContact CD2-N 3.08Å; H508-S593 PolarHBondContact CE1-OG 2.72Å; H508-S593 PolarHBondContact NE2-OG 3.2Å; H508-G594 WeakPolarHBondContact O-CA 3.29Å; H508-T595 PolarHBondContact O-N 3.26Å; H508-T595 PolarHBondContact O-OG1 2.81Å
509V88.3Confident69.2Low20 Ų2063.2 Ų63.212%0.12138%0.375CS..SBendtrans-66.9-41.6171.81760000110.6A359 T360 N362 W364 G594 T595 C596 A599A359-V509 WeakPolarHBondContact O-CA 3.42Å; A359-V509 WeakPolarHBondContact O-CB 3.43Å; A359-V509 PolarHBondContact O-N 2.87Å; T360-V509 WeakPolarHBondContact O-CG2 3.43Å; N362-V509 HydrophobicContact CB-CG1 4.42Å; W364-V509 HydrophobicContact CH2-CB 4.26Å; W364-V509 HydrophobicContact CH2-CG1 3.73Å; W364-V509 HydrophobicContact CZ2-CG1 3.8Å; V509-G594 CarbonylContact O-C 3.59Å; V509-T595 WeakPolarHBondContact CA-OG1 3.06Å; V509-T595 PolarHBondContact O-N 3.46Å; V509-C596 HydrophobicContact CG1-CB 3.74Å; V509-C596 PolarHBondContact O-N 2.97Å; V509-C596 VanDerWaalsContact O-N 3.09Å; V509-A599 HydrophobicContact CG1-CB 4.28Å
510I91.7Very high71Confident0 Ų062.9 Ų62.90%037%0.367CS..EExtended strand (participates in β ladder)trans-155.7142.3177-176.9168.2000111.7T358 A359 W364 H508 A512 S593 A599 A600 I603T358-I510 CarbonylContact C-O 3.54Å; T358-I510 WeakPolarHBondContact CA-O 3.46Å; A359-I510 HydrophobicContact CB-CG2 3.93Å; A359-I510 PolarHBondContact N-O 3.23Å; A359-I510 PolarHBondContact O-N 3.23Å; W364-I510 HydrophobicContact CH2-CG2 3.8Å; W364-I510 HydrophobicContact CZ2-CG2 4.24Å; H508-I510 VanDerWaalsContact CD2-C 3.45Å; I510-A512 HydrophobicContact CD1-CB 4.04Å; I510-A512 HydrophobicContact CG1-CB 4.13Å; I510-S593 CarbonylContact C-O 3.58Å; I510-S593 WeakPolarHBondContact CA-O 3.08Å; I510-A599 HydrophobicContact CB-CB 3.82Å; I510-A599 HydrophobicContact CD1-CB 3.85Å; I510-A599 HydrophobicContact CG1-CB 4.36Å; I510-A599 HydrophobicContact CG2-CB 4.08Å; I510-A600 HydrophobicContact CD1-CB 3.8Å; I510-I603 HydrophobicContact CD1-CD1 4.06Å; I510-I603 HydrophobicContact CG2-CD1 3.89Å
511Q93.6Very high72Confident52 Ų5263.5 Ų63.524%0.24337%0.366CS..EExtended strand (participates in β ladder)trans-121.2132.7157.9-174.6178.322.600108.1N356 I357 H508 I592 S593N356-Q511 PolarHBondContact OD1-NE2 3.44Å; I357-Q511 CarbonylContact O-C 3.42Å; I357-Q511 VanDerWaalsContact O-CA 3.24Å; I357-Q511 WeakPolarHBondContact O-CA 3.12Å; H508-Q511 PolarHBondContact CD2-N 3.08Å; Q511-I592 HydrophobicContact CB-CB 4.4Å; Q511-I592 HydrophobicContact CG-CB 4.26Å; Q511-I592 HydrophobicContact CG-CD1 4.21Å; Q511-I592 HydrophobicContact CG-CG2 4.48Å; Q511-I592 WeakPolarHBondContact O-CA 3.45Å; Q511-I592 WeakPolarHBondContact O-CB 3.41Å; Q511-I592 PolarHBondContact O-N 2.93Å; Q511-S593 WeakPolarHBondContact CB-OG 3.36Å; Q511-S593 PolarHBondContact N-O 2.89Å; Q511-S593 PolarHBondContact O-N 3.47Å; Q511-S593 PolarHBondContact OE1-OG 2.73Å; Q511-S593 VanDerWaalsContact OE1-OG 3.13Å
512A92.4Very high72.6Confident0 Ų063.2 Ų63.20%036%0.359CS..EExtended strand (participates in β ladder)trans-151.4153-177.300000112.2N356 I357 I510 I589 A590N356-A512 WeakPolarHBondContact CA-O 3.42Å; I357-A512 HydrophobicContact CD1-CB 4.26Å; I357-A512 HydrophobicContact CG1-CB 3.93Å; I357-A512 WeakPolarHBondContact CG1-O 3.37Å; I357-A512 PolarHBondContact N-O 3.07Å; I357-A512 PolarHBondContact O-N 3.12Å; I510-A512 HydrophobicContact CD1-CB 4.04Å; I510-A512 HydrophobicContact CG1-CB 4.13Å; A512-I589 HydrophobicContact CB-CG2 3.93Å; A512-A590 CarbonylContact C-O 3.57Å; A512-A590 WeakPolarHBondContact CA-O 3.34Å; A512-A590 VanDerWaalsContact CB-O 3.3Å; A512-A590 WeakPolarHBondContact CB-O 3.13Å
513N93.2Very high73Confident29 Ų2961 Ų6116%0.15534%0.338CS..EExtended strand (participates in β ladder)trans-95.5132.5166.8-75.3-11.5000109.8H354 L355 N356 F515 I589 A590 I592H354-N513 VanDerWaalsContact CD2-CG 3.44Å; H354-N513 VanDerWaalsContact NE2-CG 3.28Å; H354-N513 PolarHBondContact NE2-ND2 3.23Å; H354-N513 PolarHBondContact NE2-OD1 2.76Å; L355-N513 CarbonylContact O-C 3.54Å; L355-N513 WeakPolarHBondContact O-CA 3.29Å; N356-N513 PolarHBondContact ND2-OD1 2.94Å; N513-F515 HydrophobicContact CB-CD2 4.42Å; N513-F515 HydrophobicContact CB-CE2 3.55Å; N513-F515 HydrophobicContact CB-CZ 3.75Å; N513-I589 CarbonylContact O-C 3.52Å; N513-A590 HydrophobicContact CB-CB 4.34Å; N513-A590 PolarHBondContact N-O 3.05Å; N513-A590 PolarHBondContact O-N 2.72Å; N513-I592 HydrophobicContact CB-CD1 4.4Å; N513-I592 VanDerWaalsContact OD1-CD1 3.3Å; N513-I592 WeakPolarHBondContact OD1-CD1 3.18Å
514V94.1Very high73.2Confident0 Ų059.5 Ų59.50%033%0.326CS..EExtended strand (participates in β ladder)trans-117.5111.4179.6-173.10000108.6L330 F334 H354 L355 I357 I587 K588 I589L330-V514 HydrophobicContact CD1-CG1 4.02Å; F334-V514 HydrophobicContact CE2-CB 4.28Å; F334-V514 HydrophobicContact CE2-CG1 4.14Å; F334-V514 HydrophobicContact CE2-CG2 3.9Å; F334-V514 HydrophobicContact CZ-CG1 4.3Å; F334-V514 HydrophobicContact CZ-CG2 3.95Å; H354-V514 WeakPolarHBondContact CB-O 3.2Å; L355-V514 HydrophobicContact CB-CB 4.26Å; L355-V514 PolarHBondContact N-O 3Å; L355-V514 PolarHBondContact O-N 2.56Å; I357-V514 HydrophobicContact CD1-CG2 3.81Å; I357-V514 HydrophobicContact CG1-CG2 4.03Å; I357-V514 HydrophobicContact CG2-CG2 4.21Å; V514-I587 HydrophobicContact CG1-CG2 3.8Å; V514-K588 CarbonylContact C-O 3.49Å; V514-K588 WeakPolarHBondContact CA-O 3.28Å; V514-I589 HydrophobicContact CG1-CG1 4.27Å; V514-I589 HydrophobicContact CG2-CG1 4.25Å; V514-I589 HydrophobicContact CG2-CG2 4.49Å
515F92.1Very high73Confident45 Ų4559.8 Ų59.820%0.19733%0.327CS..EExtended strand (participates in β ladder)trans-101148.5178.6-52-94.5000110N346 H354 N513 I587 K588 A590N346-F515 WeakPolarHBondContact OD1-CE1 3.29Å; H354-F515 HydrophobicContact CB-CD1 3.45Å; H354-F515 VanDerWaalsContact CB-CD1 3.45Å; H354-F515 HydrophobicContact CB-CE1 3.67Å; H354-F515 HydrophobicContact CB-CG 4.07Å; H354-F515 HydrophobicContact CB-CZ 4.47Å; H354-F515 AromaticContact CD2-CE1 3.96Å; H354-F515 AromaticContact CG-CD1 3.87Å; H354-F515 AromaticContact CG-CE1 3.51Å; H354-F515 AromaticContact ND1-CE1 3.66Å; N513-F515 HydrophobicContact CB-CD2 4.42Å; N513-F515 HydrophobicContact CB-CE2 3.55Å; N513-F515 HydrophobicContact CB-CZ 3.75Å; F515-I587 WeakPolarHBondContact O-CA 3.44Å; F515-K588 HydrophobicContact CB-CB 4.15Å; F515-K588 HydrophobicContact CD2-CB 4.46Å; F515-K588 PolarHBondContact N-O 3.42Å; F515-K588 PolarHBondContact O-N 2.83Å; F515-A590 HydrophobicContact CE2-CB 3.96Å
516V91.8Very high72.5Confident13 Ų1362.6 Ų62.68%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-127130.3171.5177.20000107.8V323 L326 L327 L330 L585 V586V323-V516 HydrophobicContact CB-CG1 4.29Å; V323-V516 HydrophobicContact CG1-CB 4.15Å; V323-V516 HydrophobicContact CG1-CG1 3.99Å; V323-V516 HydrophobicContact CG2-CG1 4.28Å; L326-V516 HydrophobicContact CB-CG1 4.17Å; L326-V516 HydrophobicContact CD2-CG1 3.66Å; L326-V516 HydrophobicContact CD2-CG2 4.22Å; L326-V516 HydrophobicContact CG-CG1 4.06Å; L326-V516 HydrophobicContact CG-CG2 4.1Å; L327-V516 HydrophobicContact CD2-CB 4.03Å; L327-V516 HydrophobicContact CD2-CG2 3.62Å; L327-V516 HydrophobicContact CG-CB 4.04Å; L327-V516 HydrophobicContact CG-CG2 3.95Å; L330-V516 HydrophobicContact CD1-CG2 3.58Å; V516-L585 HydrophobicContact CG1-CD2 4.03Å; V516-V586 WeakPolarHBondContact CA-O 3.35Å
517E89.1Confident71.6Confident59 Ų5963.8 Ų63.828%0.27633%0.333SS..EExtended strand (participates in β ladder)trans-147.3157.5178.860.3178.7-13500110.3V586 K588E517-V586 HydrophobicContact CG-CB 4.27Å; E517-V586 PolarHBondContact N-O 3.2Å; E517-V586 VanDerWaalsContact N-O 3.15Å; E517-V586 PolarHBondContact O-N 3.47Å; E517-K588 VanDerWaalsContact CD-CE 3.47Å; E517-K588 WeakPolarHBondContact OE1-CE 3.4Å; E517-K588 IonicContact OE1-NZ 2.79Å; E517-K588 PolarHBondContact OE1-NZ 3.43Å; E517-K588 WeakPolarHBondContact OE2-CE 3.45Å; E517-K588 IonicContact OE2-NZ 3.98Å; E517-K588 PolarHBondContact OE2-NZ 2.77Å
518Y87.3Confident69.6Low58 Ų5864 Ų6423%0.22733%0.33CS..EExtended strand (participates in β ladder)trans-79.5136.4164.5-63.3-72.2000109.7N321 T322 V323 N520 H582 G583 L585N321-Y518 PolarHBondContact O-OH 2.9Å; T322-Y518 WeakPolarHBondContact CA-OH 3.43Å; V323-Y518 HydrophobicContact CG2-CD2 3.81Å; V323-Y518 HydrophobicContact CG2-CE2 3.62Å; V323-Y518 HydrophobicContact CG2-CG 4.46Å; Y518-N520 PolarHBondContact O-N 2.99Å; Y518-N520 VanDerWaalsContact O-N 3.12Å; Y518-H582 HydrophobicContact CD1-CB 3.65Å; Y518-H582 HydrophobicContact CD2-CB 4.03Å; Y518-H582 AromaticContact CD2-CG 3.92Å; Y518-H582 HydrophobicContact CE1-CB 3.95Å; Y518-H582 HydrophobicContact CE2-CB 4.29Å; Y518-H582 AromaticContact CE2-CD2 3.79Å; Y518-H582 AromaticContact CE2-CG 3.99Å; Y518-H582 HydrophobicContact CG-CB 3.67Å; Y518-H582 AromaticContact CZ-CD2 3.92Å; Y518-G583 VanDerWaalsContact CD1-O 3.32Å; Y518-G583 WeakPolarHBondContact CD1-O 3.3Å; Y518-L585 HydrophobicContact CD1-CD2 3.45Å; Y518-L585 VanDerWaalsContact CD1-CD2 3.45Å; Y518-L585 HydrophobicContact CD1-CG 3.95Å; Y518-L585 HydrophobicContact CE1-CD2 3.42Å; Y518-L585 VanDerWaalsContact CE1-CD2 3.42Å; Y518-L585 HydrophobicContact CE1-CG 3.83Å; Y518-L585 HydrophobicContact CG-CD2 4.12Å
519L80.2Confident67.3Low31 Ų3169.5 Ų69.516%0.16236%0.356CS..  trans-72.5102.7173.7-16487.8000109.4T521 F524 G583 P584 V586L519-T521 PolarHBondContact O-N 3.31Å; L519-F524 HydrophobicContact CD2-CD2 3.85Å; L519-F524 HydrophobicContact CD2-CE2 3.9Å; L519-G583 WeakPolarHBondContact O-CA 3.46Å; L519-P584 HydrophobicContact CB-CG 4.21Å; L519-P584 WeakPolarHBondContact CB-O 3.42Å; L519-P584 HydrophobicContact CD2-CG 4.27Å; L519-P584 PolarHBondContact N-O 2.99Å; L519-V586 HydrophobicContact CB-CG2 3.82Å; L519-V586 HydrophobicContact CD1-CG2 3.77Å; L519-V586 HydrophobicContact CG-CG2 4.38Å
520N66.7Low64.9Low108 Ų10870.8 Ų70.858%0.57837%0.368SS*.  trans-63.8127.3173.9-82.5-5.2000110.3Y518 D522 S523Y518-N520 PolarHBondContact O-N 2.99Å; Y518-N520 VanDerWaalsContact O-N 3.12Å; N520-D522 PolarHBondContact O-N 3.48Å; N520-S523 WeakPolarHBondContact O-CB 3.34Å; N520-S523 PolarHBondContact O-N 3.38Å; N520-S523 PolarHBondContact O-OG 3.44Å
521T50.5Low62.3Low115 Ų11577.2 Ų77.271%0.70640%0.396SS*.THydrogen-bonded Turntrans-57.4-22.1-178.138.80000113.8L519L519-T521 PolarHBondContact O-N 3.31Å
522D42.9Very low59.5Low143 Ų14377.6 Ų77.677%0.76540%0.404SS*.THydrogen-bonded Turntrans-82.3-14.1177.2-71.2-22.7000114.7N520N520-D522 PolarHBondContact O-N 3.48Å
523S41Very low56.8Low43 Ų4381.9 Ų81.930%0.30143%0.434SS..SBendtrans-81.9-18.3-176.467.20000114N520 N525 K526 D527N520-S523 WeakPolarHBondContact O-CB 3.34Å; N520-S523 PolarHBondContact O-N 3.38Å; N520-S523 PolarHBondContact O-OG 3.44Å; S523-N525 VanDerWaalsContact C-N 3.31Å; S523-N525 PolarHBondContact O-N 2.75Å; S523-K526 PolarHBondContact O-N 3.26Å; S523-D527 PolarHBondContact O-N 3.12Å
524F39.3Very low54Low118 Ų11886 Ų8652%0.51846%0.456SS..Hα-helixtrans-68-27.4-174.5-135.7-97.1000113.5L519 V528L519-F524 HydrophobicContact CD2-CD2 3.85Å; L519-F524 HydrophobicContact CD2-CE2 3.9Å; F524-V528 HydrophobicContact CD1-CG2 4.44Å; F524-V528 VanDerWaalsContact O-CG2 3.28Å; F524-V528 WeakPolarHBondContact O-CG2 3.35Å
525N33.2Very low51Low134 Ų13493.3 Ų93.372%0.71749%0.488SS*.Hα-helixtrans-83.5-15.8179-79.5-25.9000114S523 H529S523-N525 VanDerWaalsContact C-N 3.31Å; S523-N525 PolarHBondContact O-N 2.75Å; N525-H529 PolarHBondContact O-CD2 2.8Å; N525-H529 VanDerWaalsContact O-CD2 3.31Å
526K36.9Very low48.2Very low170 Ų17097.5 Ų97.574%0.73952%0.519SS*.Hα-helixtrans-95.8-35.1178.8-76.5-179.6177172.80113.1S523 H529 A530S523-K526 PolarHBondContact O-N 3.26Å; K526-H529 PolarHBondContact O-N 3.03Å; K526-A530 PolarHBondContact O-N 3.47Å; K526-A530 VanDerWaalsContact O-N 3.09Å
527D37Very low45.4Very low87 Ų87103.9 Ų103.947%0.46555%0.548SS..Hα-helixtrans-78-24-178.1-87.3-11000114.2S523 H529 K531S523-D527 PolarHBondContact O-N 3.12Å; D527-H529 VanDerWaalsContact C-N 3.34Å; D527-K531 WeakPolarHBondContact O-CB 3.48Å; D527-K531 WeakPolarHBondContact O-CG 3.36Å; D527-K531 PolarHBondContact O-N 3.38Å
528V36.4Very low42.6Very low92 Ų92103.9 Ų103.956%0.55856%0.564SS**Hα-helixtrans-70.7-32.8172.4176.90000111F524F524-V528 HydrophobicContact CD1-CG2 4.44Å; F524-V528 VanDerWaalsContact O-CG2 3.28Å; F524-V528 WeakPolarHBondContact O-CG2 3.35Å
529H35.6Very low39.9Very low143 Ų143106.4 Ų106.466%0.66258%0.58SS**Hα-helixtrans-77.9-35.7174.4-77.8-59.4000112.8N525 K526 D527 S532N525-H529 PolarHBondContact O-CD2 2.8Å; N525-H529 VanDerWaalsContact O-CD2 3.31Å; K526-H529 PolarHBondContact O-N 3.03Å; D527-H529 VanDerWaalsContact C-N 3.34Å; H529-S532 PolarHBondContact O-N 2.95Å; H529-S532 PolarHBondContact O-OG 3.2Å
530A39Very low37.6Very low46 Ų46112.5 Ų112.538%0.3861%0.613SS.*Hα-helixtrans-74.9-26.9178.200000114.3K526 S532 S533K526-A530 PolarHBondContact O-N 3.47Å; K526-A530 VanDerWaalsContact O-N 3.09Å; A530-S532 VanDerWaalsContact C-N 3.33Å; A530-S533 PolarHBondContact O-OG 2.97Å
531K36.8Very low35.8Very low136 Ų136114.2 Ų114.259%0.59162%0.622SS**THydrogen-bonded Turntrans-78-15.5175.1-76.4174.6-179.3167.40113.9D527D527-K531 WeakPolarHBondContact O-CB 3.48Å; D527-K531 WeakPolarHBondContact O-CG 3.36Å; D527-K531 PolarHBondContact O-N 3.38Å
532S34.8Very low35.1Very low59 Ų59113.5 Ų113.541%0.41362%0.622SS.*THydrogen-bonded Turntrans-81.6-16.8176.380.20000113.8H529 A530H529-S532 PolarHBondContact O-N 2.95Å; H529-S532 PolarHBondContact O-OG 3.2Å; A530-S532 VanDerWaalsContact C-N 3.33Å
533S35.2Very low34.6Very low91 Ų91109.4 Ų109.464%0.63660%0.6SS**SBendtrans-99.4-2.9-173.153.90000114.9A530A530-S533 PolarHBondContact O-OG 2.97Å
534L35Very low34.2Very low116 Ų116116.4 Ų116.461%0.60763%0.628SS**SBendtrans-109.38.2-177.6-84154.5000114.8
535F29.9Very low33.6Very low153 Ų153116.6 Ų116.667%0.67164%0.638SS**SBendtrans-128.8134.1166.7-73.3-85.6000108.9H537F535-H537 PolarHBondContact O-N 3.44Å
536P34.2Very low33.6Very low132 Ų132118.8 Ų118.886%0.85765%0.646SS**  trans-67.593.7165.827.6-28.3000107
537H33.3Very low33.1Very low148 Ų148118.8 Ų118.869%0.68565%0.649SS**  trans-54.7140.9169.8-89.3-55.5000109.4F535F535-H537 PolarHBondContact O-N 3.44Å
538G30.4Very low32.8Very low59 Ų59121.9 Ų121.961%0.60867%0.665SS**  trans-58.7154.7-171.500000113.7N540G538-N540 PolarHBondContact O-N 3.15Å
539I28.8Very low32.3Very low111 Ų111124.8 Ų124.857%0.56968%0.678SS**  trans17.193.6139.1-40.2-177.9000113.4
540N32.2Very low32.1Very low159 Ų159123.7 Ų123.785%0.8569%0.686SS**  trans-132142.2143-90.7-23.2000108.2G538G538-N540 PolarHBondContact O-N 3.15Å
541N29.8Very low31.7Very low144 Ų144128.1 Ų128.177%0.7771%0.709SS**  trans-62.6-179.1178.4-67.6-32000111.6
542S36Very low31.2Very low100 Ų100130.9 Ų130.970%0.69972%0.724SS**  trans73.8117.4-178.730.40000114.6
543D31.6Very low30.8Very low56 Ų56134.2 Ų134.230%0.29975%0.745SS.*  60109.181.2-68.7-66000108.2R35R35-D543 VanDerWaalsContact CD-OD1 3.24Å; R35-D543 WeakPolarHBondContact CD-OD1 3.23Å; R35-D543 IonicContact CZ-OD1 3.66Å; R35-D543 IonicContact CZ-OD2 2.65Å; R35-D543 IonicContact NE-OD1 2.69Å; R35-D543 PolarHBondContact NE-OD1 3.06Å; R35-D543 VanDerWaalsContact NH1-CA 3.3Å; R35-D543 IonicContact NH1-OD1 3.27Å; R35-D543 PolarHBondContact NH1-OD1 3.49Å; R35-D543 IonicContact NH1-OD2 3.23Å; R35-D543 PolarHBondContact NH1-OD2 3.06Å; R35-D543 VanDerWaalsContact NH1-OD2 3.16Å; R35-D543 VanDerWaalsContact NH2-CG 3.32Å; R35-D543 IonicContact NH2-OD1 2.7Å; R35-D543 PolarHBondContact NH2-OD1 2.92Å; R35-D543 IonicContact NH2-OD2 3.29Å; R35-D543 PolarHBondContact NH2-OD2 3.46Å
544E32.6Very low30.4Very low191 Ų191133.1 Ų133.189%0.89375%0.749SS**  -166.3149.478.6-84.6170.5158.900112
545V28Very low30.2Very low121 Ų121137 Ų13773%0.73376%0.764SS**  trans-85.2135.5161168.40000107.1
546M31.4Very low30.2Very low180 Ų180135.8 Ų135.889%0.88777%0.769SS**  trans-170.5139.4138-89.1-37.7-117.700112.3
547H27.3Very low29.9Very low171 Ų171136.7 Ų136.779%0.79277%0.765SS**  trans-64.7150.3168.5-77.7-53.3000112.1
548N31.4Very low29.8Very low151 Ų151135.5 Ų135.581%0.80777%0.768SS**  -178.5152.1113.6-91.9-12.2000113.1
549D25.8Very low29.8Very low154 Ų154141.9 Ų141.982%0.82478%0.779SS**  trans-44.1146.5175.8-63.9-51.6000114.8
550S31.2Very low29.9Very low120 Ų120143.2 Ų143.284%0.83979%0.792SS**  trans-136.5103161.646.40000110.3
551T30.9Very low30Very low138 Ų138144.4 Ų144.485%0.84779%0.79SS**  trans-55148.6156.3-6.30000111.4
552E24.8Very low30.2Very low194 Ų194142.8 Ų142.891%0.90779%0.79SS**  trans-56.1140176.6-66170.6134.400113.9
553C26.8Very low30.2Very low129 Ų129145.5 Ų145.587%0.87280%0.796SS**  trans-155.8128.7143.5-158.10000110.4
554G27.2Very low30.5Very low69 Ų69150.8 Ų150.871%0.71182%0.823SS**  trans-73.8160.9-175.600000114.4
555Q30.4Very low30.7Very low196 Ų196145.3 Ų145.392%0.91682%0.818SS**  trans-114.2128.9167-83.9-174.7-19.400111.2
556T30.1Very low30.9Very low128 Ų128145.8 Ų145.879%0.78582%0.821SS**  trans-65.9136.4-177.8-46.50000112.7
557I28.6Very low31.4Very low152 Ų152142.7 Ų142.778%0.77982%0.817SS**  trans-84.9123.4167.8-65.5170.8000108.5
558V30.8Very low31.8Very low123 Ų123141.6 Ų141.675%0.74582%0.817SS**  trans-99.9115167.9178.80000108.9
559K29.5Very low32.3Very low192 Ų192142.5 Ų142.584%0.83582%0.822SS**PPolyproline II helixtrans-94.6121.4167.6-112.1177.7176.9175.90107.8
560V32Very low33Very low139 Ų139143.9 Ų143.984%0.84282%0.824SS**PPolyproline II helixtrans-88.5122.5168.8178.60000108.3
561K33.3Very low33.4Very low185 Ų185145.3 Ų145.380%0.80482%0.822SS**PPolyproline II helixtrans-85.7140171.2-80.9179.8172.5-178.30109.5
562S33.7Very low33.8Very low110 Ų110146.3 Ų146.377%0.76982%0.822SS**PPolyproline II helixtrans-86.9125.3164.251.70000109.6
563D37.5Very low34.3Very low157 Ų157144.1 Ų144.184%0.8482%0.817SS**  trans-106.8132.9165.5-78.7-30.9000109.6
564I36.6Very low34.8Very low166 Ų166145.8 Ų145.885%0.85182%0.817SS**  trans-87.6132.4179-69.4164.9000108.1
565G37.1Very low35.2Very low76 Ų76148 Ų14878%0.78482%0.816SS**  trans-153109.9171.400000110.3
566T33.1Very low35.5Very low132 Ų132146.2 Ų146.281%0.8181%0.811SS**  trans-69.5140.3179.343.20000113.5
567S40.9Very low35.7Very low115 Ų115147.6 Ų147.680%0.80481%0.813SS**  trans-162.6130137.256.90000110.1
568D36.7Very low35.9Very low147 Ų147144.6 Ų144.679%0.78681%0.811SS**  trans-60.5147.2177.2-50.9-62000112.2
569D41.4Very low36.3Very low171 Ų171147.3 Ų147.391%0.91482%0.816SS**  trans-176.2135.3132.8-86.5-30.7000109.8
570E40.3Very low37.2Very low183 Ų183145.5 Ų145.586%0.85581%0.81SS**  trans-77160.9-171.7-66.5178.4143.900113.9
571D39.3Very low38.4Very low149 Ų149146.4 Ų146.480%0.79781%0.81SS**  trans99.7132.9148.1-78.9-20.6000122.8
572D39.2Very low40Very low159 Ų159142 Ų14285%0.8579%0.792SS**  trans83.595.4164.8-72.5-24000121
573N35.1Very low41.9Very low149 Ų149137.4 Ų137.480%0.79776%0.763SS**  trans-66.2121.6163.6-77.1-60.3000112
574D37.2Very low44.2Very low163 Ų163131 Ų13187%0.87273%0.729SS**  trans-131.197.3147.7-110.4-20.2000107.7I576D574-I576 PolarHBondContact O-N 3.34Å
575V36.4Very low46.8Very low116 Ų116123 Ų12370%0.70369%0.689SS**  trans-82.898.5178.8177.30000108.9L577V575-L577 PolarHBondContact O-N 3.31Å
576I35.7Very low49.4Very low158 Ų158119.5 Ų119.581%0.8165%0.652SS**  trans-74.3110.9163.1-60.7176.9000107.6D574 A578D574-I576 PolarHBondContact O-N 3.34Å; I576-A578 PolarHBondContact O-N 2.92Å
577L34.9Very low52.2Low158 Ų158113.2 Ų113.283%0.82761%0.613SS**  trans-67.9109.4169.7-70.1168000108.9V575V575-L577 PolarHBondContact O-N 3.31Å
578A33.4Very low54.6Low89 Ų89110 Ų11074%0.73659%0.585SS**  trans-73.4121.4170.900000109.9I576 E580I576-A578 PolarHBondContact O-N 2.92Å; A578-E580 PolarHBondContact O-N 2.95Å
579E39Very low57.2Low180 Ų180103.1 Ų103.184%0.84155%0.548SS*.  trans-66.8109.2170.5-71-177158.100109.6N581E579-N581 PolarHBondContact O-N 2.81Å; E579-N581 VanDerWaalsContact O-N 3.11Å
580E48.4Very low59.5Low153 Ų15396.2 Ų96.272%0.71551%0.514SS*.  trans-69.3103.7170.5-72.9-170.6167.700109.5A578 H582A578-E580 PolarHBondContact O-N 2.95Å; E580-H582 PolarHBondContact O-N 2.84Å; E580-H582 IonicContact OE2-CE1 3.95Å; E580-H582 PolarHBondContact OE2-CE1 3.29Å; E580-H582 VanDerWaalsContact OE2-CE1 3.28Å; E580-H582 IonicContact OE2-NE2 3.75Å
581N56.4Low61.7Low158 Ų15891 Ų9185%0.84549%0.487SS*.  trans-68.291172.9-89.1-30.2000110.5E579E579-N581 PolarHBondContact O-N 2.81Å; E579-N581 VanDerWaalsContact O-N 3.11Å
582H67.2Low64Low92 Ų9287.1 Ų87.143%0.42647%0.466SS..  trans-73.4145.9172-56.9-55.8000111.6Y518 E580Y518-H582 HydrophobicContact CD1-CB 3.65Å; Y518-H582 HydrophobicContact CD2-CB 4.03Å; Y518-H582 AromaticContact CD2-CG 3.92Å; Y518-H582 HydrophobicContact CE1-CB 3.95Å; Y518-H582 HydrophobicContact CE2-CB 4.29Å; Y518-H582 AromaticContact CE2-CD2 3.79Å; Y518-H582 AromaticContact CE2-CG 3.99Å; Y518-H582 HydrophobicContact CG-CB 3.67Å; Y518-H582 AromaticContact CZ-CD2 3.92Å; E580-H582 PolarHBondContact O-N 2.84Å; E580-H582 IonicContact OE2-CE1 3.95Å; E580-H582 PolarHBondContact OE2-CE1 3.29Å; E580-H582 VanDerWaalsContact OE2-CE1 3.28Å; E580-H582 IonicContact OE2-NE2 3.75Å
583G75.1Confident66.2Low15 Ų1580.4 Ų80.416%0.15543%0.431CS..  trans-72.5179.8171.700000112.9Y518 L519Y518-G583 VanDerWaalsContact CD1-O 3.32Å; Y518-G583 WeakPolarHBondContact CD1-O 3.3Å; L519-G583 WeakPolarHBondContact O-CA 3.46Å
584P85.7Confident68.4Low21 Ų2174 Ų7414%0.13640%0.401CS..  trans-61.9147.1-174.824-33.1000112.4Q310 L311 L519Q310-P584 HydrophobicContact CG-CB 4.22Å; Q310-P584 HydrophobicContact CG-CG 4.09Å; Q310-P584 VanDerWaalsContact NE2-CG 3.3Å; L311-P584 WeakPolarHBondContact O-CB 3.47Å; L519-P584 HydrophobicContact CB-CG 4.21Å; L519-P584 WeakPolarHBondContact CB-O 3.42Å; L519-P584 HydrophobicContact CD2-CG 4.27Å; L519-P584 PolarHBondContact N-O 2.99Å
585L89.9Confident70.4Confident0 Ų068.9 Ų68.90%038%0.375CS..EExtended strand (participates in β ladder)trans-65.6144.7174.5-76.9174.6000111.6L311 L318 N321 V323 L326 V516 Y518L311-L585 HydrophobicContact CB-CB 4.41Å; L311-L585 WeakPolarHBondContact CB-O 3.41Å; L311-L585 HydrophobicContact CD2-CB 4.36Å; L311-L585 PolarHBondContact N-O 3.48Å; L318-L585 HydrophobicContact CD1-CD1 4.47Å; N321-L585 WeakPolarHBondContact OD1-CD1 3.48Å; V323-L585 HydrophobicContact CG2-CD2 3.83Å; L326-L585 HydrophobicContact CB-CD1 4.12Å; L326-L585 HydrophobicContact CD2-CB 4Å; L326-L585 HydrophobicContact CD2-CD1 3.85Å; L326-L585 HydrophobicContact CD2-CG 4.42Å; V516-L585 HydrophobicContact CG1-CD2 4.03Å; Y518-L585 HydrophobicContact CD1-CD2 3.45Å; Y518-L585 VanDerWaalsContact CD1-CD2 3.45Å; Y518-L585 HydrophobicContact CD1-CG 3.95Å; Y518-L585 HydrophobicContact CE1-CD2 3.42Å; Y518-L585 VanDerWaalsContact CE1-CD2 3.42Å; Y518-L585 HydrophobicContact CE1-CG 3.83Å; Y518-L585 HydrophobicContact CG-CD2 4.12Å
586V91.2Very high72.5Confident1 Ų164.3 Ų64.31%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-131.5129.4-178.9-178.50000110.3T308 Q310 V516 E517 L519 K588T308-V586 HydrophobicContact CG2-CG1 3.19Å; Q310-V586 HydrophobicContact CB-CG2 4.36Å; Q310-V586 HydrophobicContact CG-CG2 4.3Å; V516-V586 WeakPolarHBondContact CA-O 3.35Å; E517-V586 HydrophobicContact CG-CB 4.27Å; E517-V586 PolarHBondContact N-O 3.2Å; E517-V586 VanDerWaalsContact N-O 3.15Å; E517-V586 PolarHBondContact O-N 3.47Å; L519-V586 HydrophobicContact CB-CG2 3.82Å; L519-V586 HydrophobicContact CD1-CG2 3.77Å; L519-V586 HydrophobicContact CG-CG2 4.38Å; V586-K588 HydrophobicContact CG1-CG 4.15Å
587I92.8Very high74.1Confident0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-96.3125.7169.9-58.2167.2000108.7T308 L309 L311 L326 L330 V514 F515 I589 L607 L611T308-I587 CarbonylContact C-O 3.52Å; T308-I587 WeakPolarHBondContact CA-O 3.47Å; L309-I587 HydrophobicContact CB-CB 4.4Å; L309-I587 HydrophobicContact CD2-CD1 4.34Å; L309-I587 PolarHBondContact N-O 3.37Å; L309-I587 PolarHBondContact O-N 2.9Å; L311-I587 HydrophobicContact CD1-CD1 3.74Å; L311-I587 HydrophobicContact CD1-CG1 3.75Å; L326-I587 HydrophobicContact CD1-CD1 4.25Å; L326-I587 HydrophobicContact CD2-CD1 4.34Å; L326-I587 HydrophobicContact CD2-CG1 3.93Å; L330-I587 HydrophobicContact CD1-CD1 4.26Å; L330-I587 HydrophobicContact CD1-CG1 4.2Å; L330-I587 HydrophobicContact CD1-CG2 4.33Å; L330-I587 HydrophobicContact CD2-CD1 4.1Å; V514-I587 HydrophobicContact CG1-CG2 3.8Å; F515-I587 WeakPolarHBondContact O-CA 3.44Å; I587-I589 HydrophobicContact CG2-CG1 4.25Å; I587-L607 HydrophobicContact CG2-CD1 4.5Å; I587-L611 HydrophobicContact CD1-CD1 3.99Å
588K91.7Very high76.4Confident49 Ų4953.8 Ų53.821%0.21329%0.289CS..EExtended strand (participates in β ladder)trans-116.9118.1175.7-75.8178.7-175.6173.50110.2P306 L307 T308 V514 F515 E517 V586P306-K588 HydrophobicContact CB-CB 3.9Å; P306-K588 HydrophobicContact CB-CG 4.41Å; P306-K588 HydrophobicContact CG-CB 4.13Å; P306-K588 HydrophobicContact CG-CD 4.03Å; P306-K588 HydrophobicContact CG-CG 4.22Å; L307-K588 CarbonylContact O-C 3.5Å; L307-K588 WeakPolarHBondContact O-CA 3.34Å; T308-K588 HydrophobicContact CG2-CG 4.18Å; V514-K588 CarbonylContact C-O 3.49Å; V514-K588 WeakPolarHBondContact CA-O 3.28Å; F515-K588 HydrophobicContact CB-CB 4.15Å; F515-K588 HydrophobicContact CD2-CB 4.46Å; F515-K588 PolarHBondContact N-O 3.42Å; F515-K588 PolarHBondContact O-N 2.83Å; E517-K588 VanDerWaalsContact CD-CE 3.47Å; E517-K588 WeakPolarHBondContact OE1-CE 3.4Å; E517-K588 IonicContact OE1-NZ 2.79Å; E517-K588 PolarHBondContact OE1-NZ 3.43Å; E517-K588 WeakPolarHBondContact OE2-CE 3.45Å; E517-K588 IonicContact OE2-NZ 3.98Å; E517-K588 PolarHBondContact OE2-NZ 2.77Å; V586-K588 HydrophobicContact CG1-CG 4.15Å
589I91.7Very high79Confident2 Ų249.6 Ų49.61%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-103.6109.8175.4-54.7-177.5000109.5P306 L307 A512 N513 V514 I587 A600 I603 L604 L607P306-I589 WeakPolarHBondContact CA-O 3.37Å; L307-I589 PolarHBondContact N-O 3.46Å; L307-I589 PolarHBondContact O-N 3.31Å; A512-I589 HydrophobicContact CB-CG2 3.93Å; N513-I589 CarbonylContact O-C 3.52Å; V514-I589 HydrophobicContact CG1-CG1 4.27Å; V514-I589 HydrophobicContact CG2-CG1 4.25Å; V514-I589 HydrophobicContact CG2-CG2 4.49Å; I587-I589 HydrophobicContact CG2-CG1 4.25Å; I589-A600 HydrophobicContact CG2-CB 4.07Å; I589-I603 HydrophobicContact CD1-CB 4.48Å; I589-I603 HydrophobicContact CD1-CG2 3.84Å; I589-L604 HydrophobicContact CD1-CB 4.28Å; I589-L604 HydrophobicContact CD1-CD1 3.7Å; I589-L604 HydrophobicContact CG1-CD1 3.97Å; I589-L607 HydrophobicContact CD1-CD1 4.06Å
590A88.6Confident81.3Confident25 Ų2541.2 Ų41.221%0.20722%0.216CC..EExtended strand (participates in β ladder)trans-95.9111.317200000109.8P306 A512 N513 F515P306-A590 HydrophobicContact CB-CB 4.18Å; A512-A590 CarbonylContact C-O 3.57Å; A512-A590 WeakPolarHBondContact CA-O 3.34Å; A512-A590 VanDerWaalsContact CB-O 3.3Å; A512-A590 WeakPolarHBondContact CB-O 3.13Å; N513-A590 HydrophobicContact CB-CB 4.34Å; N513-A590 PolarHBondContact N-O 3.05Å; N513-A590 PolarHBondContact O-N 2.72Å; F515-A590 HydrophobicContact CE2-CB 3.96Å
591W86.9Confident83.1Confident74 Ų7438.1 Ų38.128%0.2820%0.204SC..EExtended strand (participates in β ladder)trans-67.8135.4175.4-176.993.6000110.7S593 A600W591-S593 VanDerWaalsContact CE2-C 3.5Å; W591-S593 VanDerWaalsContact CH2-CA 3.44Å; W591-S593 PolarHBondContact NE1-O 3.1Å; W591-A600 HydrophobicContact CB-CB 4.43Å
592I86.7Confident84.7Confident68 Ų6833.4 Ų33.435%0.34918%0.177SC..EExtended strand (participates in β ladder)trans-105.9-55.4177.1-64.2169.1000110.5N356 Q511 N513N356-I592 WeakPolarHBondContact ND2-CD1 3.44Å; Q511-I592 HydrophobicContact CB-CB 4.4Å; Q511-I592 HydrophobicContact CG-CB 4.26Å; Q511-I592 HydrophobicContact CG-CD1 4.21Å; Q511-I592 HydrophobicContact CG-CG2 4.48Å; Q511-I592 WeakPolarHBondContact O-CA 3.45Å; Q511-I592 WeakPolarHBondContact O-CB 3.41Å; Q511-I592 PolarHBondContact O-N 2.93Å; N513-I592 HydrophobicContact CB-CD1 4.4Å; N513-I592 VanDerWaalsContact OD1-CD1 3.3Å; N513-I592 WeakPolarHBondContact OD1-CD1 3.18Å
593S85.9Confident85.8Confident17 Ų1729 Ų2912%0.11916%0.157CC..EExtended strand (participates in β ladder)trans-161.4172.4-174.6620000111.3H508 I510 Q511 W591H508-S593 PolarHBondContact CE1-OG 2.72Å; H508-S593 PolarHBondContact NE2-OG 3.2Å; I510-S593 CarbonylContact C-O 3.58Å; I510-S593 WeakPolarHBondContact CA-O 3.08Å; Q511-S593 WeakPolarHBondContact CB-OG 3.36Å; Q511-S593 PolarHBondContact N-O 2.89Å; Q511-S593 PolarHBondContact O-N 3.47Å; Q511-S593 PolarHBondContact OE1-OG 2.73Å; Q511-S593 VanDerWaalsContact OE1-OG 3.13Å; W591-S593 VanDerWaalsContact CE2-C 3.5Å; W591-S593 VanDerWaalsContact CH2-CA 3.44Å; W591-S593 PolarHBondContact NE1-O 3.1Å
594G82.7Confident86.5Confident16 Ų1629.5 Ų29.517%0.16516%0.156CC..  trans135.7166.5174.200000114.6H508 V509H508-G594 WeakPolarHBondContact O-CA 3.29Å; V509-G594 CarbonylContact O-C 3.59Å
595T79.1Confident86.5Confident54 Ų5434.9 Ų34.933%0.33118%0.177SC..SBendtrans-77.9-19.1-176.356.30000114.4C477 H508 V509C477-T595 PolarHBondContact SG-O 2.89Å; H508-T595 PolarHBondContact O-N 3.26Å; H508-T595 PolarHBondContact O-OG1 2.81Å; V509-T595 WeakPolarHBondContact CA-OG1 3.06Å; V509-T595 PolarHBondContact O-N 3.46Å
596C79.5Confident86.6Confident21 Ų2135.9 Ų35.914%0.14218%0.181CC..  trans-117107.8179.7-178.90000110.9V509 E598 A599V509-C596 HydrophobicContact CG1-CB 3.74Å; V509-C596 PolarHBondContact O-N 2.97Å; V509-C596 VanDerWaalsContact O-N 3.09Å; C596-E598 VanDerWaalsContact C-N 3.29Å; C596-E598 PolarHBondContact O-N 2.88Å; C596-A599 HydrophobicContact CB-CB 3.99Å; C596-A599 WeakPolarHBondContact O-CB 3.25Å; C596-A599 VanDerWaalsContact O-CB 3.22Å; C596-A599 PolarHBondContact O-N 2.86Å
597R70.2Confident86.6Confident52 Ų5235.8 Ų35.820%0.19618%0.181CC..THydrogen-bonded Turntrans-69.3-26.8-179.3-74.6-163.1168.4139.7-2.2113.3W476 D478 A599W476-R597 HydrophobicContact CB-CG 4.09Å; D478-R597 IonicContact OD2-CZ 3.73Å; D478-R597 IonicContact OD2-NH1 2.79Å; D478-R597 PolarHBondContact OD2-NH1 3.04Å; D478-R597 IonicContact OD2-NH2 3.57Å; D478-R597 PolarHBondContact OD2-NH2 3.18Å; R597-A599 VanDerWaalsContact C-N 3.31Å
598E82.1Confident86.3Confident43 Ų4340.4 Ų40.420%0.20120%0.201CC..THydrogen-bonded Turntrans-81.7-11.2178.8-65.572.8-158.300112.4D474 C596 A600 N601 Q602D474-E598 HydrophobicContact CB-CG 4.32Å; C596-E598 VanDerWaalsContact C-N 3.29Å; C596-E598 PolarHBondContact O-N 2.88Å; E598-A600 VanDerWaalsContact C-N 3.29Å; E598-A600 PolarHBondContact O-N 2.79Å; E598-N601 WeakPolarHBondContact O-CB 3.31Å; E598-N601 PolarHBondContact O-N 3.15Å; E598-Q602 WeakPolarHBondContact O-CG 3.19Å; E598-Q602 PolarHBondContact O-N 2.77Å
599A87.6Confident85.9Confident0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-55-40.9-175.500000112.9W364 V509 I510 C596 R597 N601 Q602 I603W364-A599 HydrophobicContact CZ2-CB 3.76Å; V509-A599 HydrophobicContact CG1-CB 4.28Å; I510-A599 HydrophobicContact CB-CB 3.82Å; I510-A599 HydrophobicContact CD1-CB 3.85Å; I510-A599 HydrophobicContact CG1-CB 4.36Å; I510-A599 HydrophobicContact CG2-CB 4.08Å; C596-A599 HydrophobicContact CB-CB 3.99Å; C596-A599 WeakPolarHBondContact O-CB 3.25Å; C596-A599 VanDerWaalsContact O-CB 3.22Å; C596-A599 PolarHBondContact O-N 2.86Å; R597-A599 VanDerWaalsContact C-N 3.31Å; A599-N601 VanDerWaalsContact C-N 3.35Å; A599-N601 PolarHBondContact O-N 3.01Å; A599-Q602 PolarHBondContact O-N 2.82Å; A599-I603 PolarHBondContact O-N 2.88Å; A599-I603 WeakPolarHBondContact O-CG1 3.11Å; A599-I603 VanDerWaalsContact O-CG1 3.24Å; A599-I603 WeakPolarHBondContact O-CB 3.17Å
600A88.4Confident85.7Confident4 Ų444.6 Ų44.63%0.03322%0.219CC..Hα-helixtrans-63.3-40.3178.800000112L307 I510 I589 W591 E598 I603 L604L307-A600 VanDerWaalsContact CD1-C 3.5Å; L307-A600 HydrophobicContact CD1-CB 3.64Å; I510-A600 HydrophobicContact CD1-CB 3.8Å; I589-A600 HydrophobicContact CG2-CB 4.07Å; W591-A600 HydrophobicContact CB-CB 4.43Å; E598-A600 VanDerWaalsContact C-N 3.29Å; E598-A600 PolarHBondContact O-N 2.79Å; A600-I603 PolarHBondContact O-N 2.98Å; A600-L604 WeakPolarHBondContact O-CB 2.96Å; A600-L604 PolarHBondContact O-N 3Å
601N86.1Confident85.5Confident88 Ų8844.5 Ų44.547%0.47121%0.214SC..Hα-helixtrans-66.1-42.7174.5-79-52.9000111.5L307 E598 A599 I603 L604 F605L307-N601 HydrophobicContact CD1-CB 4.21Å; L307-N601 WeakPolarHBondContact CD1-OD1 3.38Å; L307-N601 WeakPolarHBondContact CD2-OD1 3.31Å; E598-N601 WeakPolarHBondContact O-CB 3.31Å; E598-N601 PolarHBondContact O-N 3.15Å; A599-N601 VanDerWaalsContact C-N 3.35Å; A599-N601 PolarHBondContact O-N 3.01Å; N601-I603 VanDerWaalsContact C-N 3.34Å; N601-I603 PolarHBondContact O-N 3.43Å; N601-L604 PolarHBondContact O-N 3.25Å; N601-F605 WeakPolarHBondContact O-CB 3.22Å; N601-F605 PolarHBondContact O-N 2.84Å
602Q89.1Confident85Confident60 Ų6050.2 Ų50.228%0.2824%0.241SC..Hα-helixtrans-63.8-40.2178.2-65.5168.71.500111.6N362 T365 E598 A599 F605 Y606N362-Q602 PolarHBondContact ND2-OE1 3.2Å; T365-Q602 PolarHBondContact OG1-OE1 3.05Å; T365-Q602 VanDerWaalsContact OG1-OE1 3.07Å; E598-Q602 WeakPolarHBondContact O-CG 3.19Å; E598-Q602 PolarHBondContact O-N 2.77Å; A599-Q602 PolarHBondContact O-N 2.82Å; Q602-F605 PolarHBondContact O-N 3.13Å; Q602-Y606 WeakPolarHBondContact O-CB 3.38Å; Q602-Y606 PolarHBondContact O-N 3.42Å
603I91.5Very high84.9Confident0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-65.4-47.1174.9-70.5164.9000110.3F334 M339 I357 W364 I510 I589 A599 A600 N601 F605 Y606 L607F334-I603 HydrophobicContact CE1-CG2 3.7Å; F334-I603 HydrophobicContact CZ-CG2 4.4Å; M339-I603 HydrophobicContact CE-CD1 3.56Å; M339-I603 HydrophobicContact CE-CG1 3.97Å; I357-I603 HydrophobicContact CD1-CD1 4.4Å; W364-I603 HydrophobicContact CD2-CD1 4.24Å; W364-I603 HydrophobicContact CD2-CG1 3.67Å; W364-I603 HydrophobicContact CE3-CD1 4.45Å; W364-I603 HydrophobicContact CE3-CG1 4.23Å; W364-I603 HydrophobicContact CG-CG1 3.86Å; W364-I603 HydrophobicContact CH2-CD1 4.31Å; W364-I603 HydrophobicContact CZ2-CD1 4.12Å; W364-I603 HydrophobicContact CZ2-CG1 4.26Å; W364-I603 HydrophobicContact CZ3-CD1 4.49Å; I510-I603 HydrophobicContact CD1-CD1 4.06Å; I510-I603 HydrophobicContact CG2-CD1 3.89Å; I589-I603 HydrophobicContact CD1-CB 4.48Å; I589-I603 HydrophobicContact CD1-CG2 3.84Å; A599-I603 PolarHBondContact O-N 2.88Å; A599-I603 WeakPolarHBondContact O-CG1 3.11Å; A599-I603 VanDerWaalsContact O-CG1 3.24Å; A599-I603 WeakPolarHBondContact O-CB 3.17Å; A600-I603 PolarHBondContact O-N 2.98Å; N601-I603 VanDerWaalsContact C-N 3.34Å; N601-I603 PolarHBondContact O-N 3.43Å; I603-F605 VanDerWaalsContact C-N 3.25Å; I603-F605 PolarHBondContact O-N 2.71Å; I603-Y606 PolarHBondContact O-N 3.2Å; I603-Y606 WeakPolarHBondContact O-CA 3.18Å; I603-Y606 WeakPolarHBondContact O-CB 3.18Å; I603-L607 HydrophobicContact CG2-CD1 4.15Å; I603-L607 HydrophobicContact CG2-CG 4.3Å; I603-L607 WeakPolarHBondContact O-CG 3.22Å; I603-L607 PolarHBondContact O-N 2.88Å
604L89.7Confident84.8Confident25 Ų2551 Ų5113%0.13124%0.242CC..Hα-helixtrans-58.3-41176.8-159.881.9000111.6L307 L309 I589 A600 N601 L607 K608L307-L604 HydrophobicContact CB-CD2 4.11Å; L309-L604 HydrophobicContact CB-CD1 3.63Å; L309-L604 HydrophobicContact CB-CD2 4.19Å; L309-L604 HydrophobicContact CB-CG 3.93Å; I589-L604 HydrophobicContact CD1-CB 4.28Å; I589-L604 HydrophobicContact CD1-CD1 3.7Å; I589-L604 HydrophobicContact CG1-CD1 3.97Å; A600-L604 WeakPolarHBondContact O-CB 2.96Å; A600-L604 PolarHBondContact O-N 3Å; N601-L604 PolarHBondContact O-N 3.25Å; L604-L607 PolarHBondContact O-N 3.1Å; L604-K608 WeakPolarHBondContact O-CB 3.15Å; L604-K608 PolarHBondContact O-N 3.28Å
605F86.3Confident84.9Confident133 Ų13352.9 Ų52.958%0.58325%0.246SC*.Hα-helixtrans-66.6-38.3174.9-172.1-100000112.4N601 Q602 I603 N609N601-F605 WeakPolarHBondContact O-CB 3.22Å; N601-F605 PolarHBondContact O-N 2.84Å; Q602-F605 PolarHBondContact O-N 3.13Å; I603-F605 VanDerWaalsContact C-N 3.25Å; I603-F605 PolarHBondContact O-N 2.71Å; F605-N609 WeakPolarHBondContact CD1-ND2 3.35Å; F605-N609 WeakPolarHBondContact CE1-ND2 3.29Å; F605-N609 WeakPolarHBondContact CZ-ND2 3.46Å; F605-N609 PolarHBondContact O-N 3.37Å; F605-N609 VanDerWaalsContact O-N 3.16Å; F605-N609 PolarHBondContact O-ND2 3.08Å
606Y90.5Very high85.3Confident21 Ų2152.9 Ų52.98%0.08224%0.241CC..Hα-helixtrans-59.2-51.3171.9168.5-90000111.1E333 L337 W364 T367 Q602 I603 K608 N609 R610E333-Y606 PolarHBondContact OE2-OH 2.84Å; L337-Y606 HydrophobicContact CD1-CD1 3.86Å; L337-Y606 HydrophobicContact CD1-CE1 3.64Å; L337-Y606 HydrophobicContact CD2-CE1 4.23Å; L337-Y606 HydrophobicContact CD2-CE2 4.01Å; L337-Y606 HydrophobicContact CG-CE1 4.13Å; W364-Y606 HydrophobicContact CB-CD2 4.12Å; W364-Y606 HydrophobicContact CB-CG 4.03Å; T367-Y606 HydrophobicContact CG2-CD2 4.24Å; T367-Y606 HydrophobicContact CG2-CE2 3.97Å; T367-Y606 WeakPolarHBondContact OG1-CD2 3.21Å; Q602-Y606 WeakPolarHBondContact O-CB 3.38Å; Q602-Y606 PolarHBondContact O-N 3.42Å; I603-Y606 PolarHBondContact O-N 3.2Å; I603-Y606 WeakPolarHBondContact O-CA 3.18Å; I603-Y606 WeakPolarHBondContact O-CB 3.18Å; Y606-K608 PolarHBondContact O-N 2.82Å; Y606-N609 CarbonylContact O-C 3.48Å; Y606-N609 PolarHBondContact O-N 2.93Å; Y606-R610 HydrophobicContact CD1-CG 4.23Å; Y606-R610 HydrophobicContact CD2-CG 4.49Å; Y606-R610 HydrophobicContact CE1-CG 3.65Å; Y606-R610 HydrophobicContact CE2-CG 3.97Å; Y606-R610 VanDerWaalsContact CZ-CG 3.49Å; Y606-R610 PolarHBondContact O-N 3.34Å; Y606-R610 PolarHBondContact OH-NE 3.3Å
607L91Very high85.7Confident0 Ų054.9 Ų54.90%025%0.248CC..Hα-helixtrans-59.7-46179.4-65175.7000111.2L309 W329 L330 F334 I587 I589 I603 L604 N609 R610 L611L309-L607 HydrophobicContact CD2-CB 4.37Å; W329-L607 HydrophobicContact CH2-CD2 4.3Å; W329-L607 HydrophobicContact CZ3-CD2 4.02Å; L330-L607 HydrophobicContact CD2-CD1 3.85Å; L330-L607 HydrophobicContact CD2-CD2 3.79Å; L330-L607 HydrophobicContact CD2-CG 4.43Å; F334-L607 HydrophobicContact CE1-CD1 4.18Å; F334-L607 HydrophobicContact CE1-CD2 4.12Å; F334-L607 HydrophobicContact CZ-CD1 3.95Å; F334-L607 HydrophobicContact CZ-CD2 4.38Å; I587-L607 HydrophobicContact CG2-CD1 4.5Å; I589-L607 HydrophobicContact CD1-CD1 4.06Å; I603-L607 HydrophobicContact CG2-CD1 4.15Å; I603-L607 HydrophobicContact CG2-CG 4.3Å; I603-L607 WeakPolarHBondContact O-CG 3.22Å; I603-L607 PolarHBondContact O-N 2.88Å; L604-L607 PolarHBondContact O-N 3.1Å; L607-N609 PolarHBondContact O-N 2.92Å; L607-N609 VanDerWaalsContact O-N 3.16Å; L607-R610 PolarHBondContact O-N 3.26Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 3.31Å
608K86.4Confident86.7Confident97 Ų9755.1 Ų55.142%0.42225%0.251SS..Hα-helixtrans-56.5-32.1175.2-174.1174-176.1171.10113L309 L604 Y606 K612L309-K608 HydrophobicContact CD1-CB 4.13Å; L309-K608 HydrophobicContact CD1-CD 4.02Å; L309-K608 HydrophobicContact CD1-CG 4.06Å; L309-K608 HydrophobicContact CD2-CB 4Å; L604-K608 WeakPolarHBondContact O-CB 3.15Å; L604-K608 PolarHBondContact O-N 3.28Å; Y606-K608 PolarHBondContact O-N 2.82Å; K608-K612 VanDerWaalsContact O-CG 3.27Å; K608-K612 WeakPolarHBondContact O-CG 3.03Å; K608-K612 PolarHBondContact O-N 2.69Å
609N84.5Confident87Confident49 Ų4955.9 Ų55.926%0.26226%0.255SS..Hα-helixtrans-87.7-10176.7-69.4-46.5000114.1F605 Y606 L607F605-N609 WeakPolarHBondContact CD1-ND2 3.35Å; F605-N609 WeakPolarHBondContact CE1-ND2 3.29Å; F605-N609 WeakPolarHBondContact CZ-ND2 3.46Å; F605-N609 PolarHBondContact O-N 3.37Å; F605-N609 VanDerWaalsContact O-N 3.16Å; F605-N609 PolarHBondContact O-ND2 3.08Å; Y606-N609 CarbonylContact O-C 3.48Å; Y606-N609 PolarHBondContact O-N 2.93Å; L607-N609 PolarHBondContact O-N 2.92Å; L607-N609 VanDerWaalsContact O-N 3.16Å
610R86.6Confident87Confident89 Ų8960.2 Ų60.234%0.33627%0.274SS..Hα-helixtrans-93.8-31.9173.4-74.1-71.2-73.8154.8-8.8111.9W329 E333 Y606 L607W329-R610 HydrophobicContact CH2-CB 3.82Å; W329-R610 HydrophobicContact CZ2-CB 3.9Å; E333-R610 IonicContact OE1-CZ 3.4Å; E333-R610 IonicContact OE1-NE 3.36Å; E333-R610 PolarHBondContact OE1-NE 3.3Å; E333-R610 IonicContact OE1-NH2 2.68Å; E333-R610 PolarHBondContact OE1-NH2 3Å; E333-R610 IonicContact OE2-CZ 3.65Å; E333-R610 IonicContact OE2-NE 2.87Å; E333-R610 PolarHBondContact OE2-NE 3.18Å; E333-R610 IonicContact OE2-NH2 3.56Å; Y606-R610 HydrophobicContact CD1-CG 4.23Å; Y606-R610 HydrophobicContact CD2-CG 4.49Å; Y606-R610 HydrophobicContact CE1-CG 3.65Å; Y606-R610 HydrophobicContact CE2-CG 3.97Å; Y606-R610 VanDerWaalsContact CZ-CG 3.49Å; Y606-R610 PolarHBondContact O-N 3.34Å; Y606-R610 PolarHBondContact OH-NE 3.3Å; L607-R610 PolarHBondContact O-N 3.26Å
611L84.3Confident86.9Confident23 Ų2364.9 Ų64.912%0.1229%0.294CS..Hα-helixtrans-75.5-25.3173.8-67.1165.1000112.4L309 L311 V315 W329 I587 L607L309-L611 HydrophobicContact CD2-CD1 3.96Å; L311-L611 HydrophobicContact CD1-CD1 4.3Å; L311-L611 HydrophobicContact CD2-CD1 4.26Å; L311-L611 HydrophobicContact CD2-CD2 4.28Å; L311-L611 HydrophobicContact CG-CD1 4.12Å; V315-L611 HydrophobicContact CG1-CB 4.22Å; V315-L611 HydrophobicContact CG1-CD2 3.91Å; V315-L611 WeakPolarHBondContact CG1-O 3.26Å; W329-L611 HydrophobicContact CD2-CD2 4.47Å; W329-L611 HydrophobicContact CE3-CD2 4.12Å; W329-L611 HydrophobicContact CH2-CD2 3.6Å; W329-L611 HydrophobicContact CH2-CG 3.65Å; W329-L611 HydrophobicContact CZ2-CD2 3.96Å; W329-L611 HydrophobicContact CZ2-CG 4.31Å; W329-L611 HydrophobicContact CZ3-CD1 4.46Å; W329-L611 HydrophobicContact CZ3-CD2 3.68Å; W329-L611 HydrophobicContact CZ3-CG 3.97Å; I587-L611 HydrophobicContact CD1-CD1 3.99Å; L607-L611 WeakPolarHBondContact O-CG 3.48Å; L607-L611 PolarHBondContact O-N 3.31Å
612K76.4Confident86.9Confident194 Ų19462.8 Ų62.884%0.84328%0.278SS*.  trans-83.70165-73.9-179.7177.2-163.50110.1K608K608-K612 VanDerWaalsContact O-CG 3.27Å; K608-K612 WeakPolarHBondContact O-CG 3.03Å; K608-K612 PolarHBondContact O-N 2.69Å

Retrieved 612 of 612 residues in 540.3 ms (Link to these results)

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