A0A3Q0KG72_SCHMA Loading...

Putative microrchidia 2a

AlphaFold DB , UniProt , Accession A0A3Q0KG72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 961 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
1M52.8Low81.6Confident216 Ų216151.3 Ų151.3100%1.06477%0.768SS**  0-24.20-124.8-176.2-113.700111.7T3 Y4M1-T3 PolarHBondContact O-N 3.46Å; M1-Y4 PolarHBondContact O-N 2.96Å
2E62.6Low82.1Confident170 Ų170143.9 Ų143.979%0.79473%0.732SS**G310 helixtrans-59.9-25.6174.7-68173.1169.100114.6Y4 S5E2-Y4 PolarHBondContact O-N 3.48Å; E2-S5 PolarHBondContact O-N 3.46Å; E2-S5 PolarHBondContact O-OG 3.16Å
3T79.5Confident82.8Confident115 Ų115135.7 Ų135.771%0.70670%0.695SS**G310 helixtrans-66.3-21.8-177.6-35.40000114.1M1M1-T3 PolarHBondContact O-N 3.46Å
4Y85.3Confident83.3Confident166 Ų166129.9 Ų129.965%0.65166%0.661SS**G310 helixtrans-106.5-5.4-176.2-56.7-61.6000114.1M1 E2 Q6 L7M1-Y4 PolarHBondContact O-N 2.96Å; E2-Y4 PolarHBondContact O-N 3.48Å; Y4-Q6 PolarHBondContact O-N 3.41Å; Y4-L7 HydrophobicContact CD1-CD1 3.72Å; Y4-L7 PolarHBondContact O-N 2.85Å
5S84.5Confident83.9Confident81 Ų81126.4 Ų126.457%0.56665%0.645SS**THydrogen-bonded Turntrans-67.9-21.8178.7560000112.8E2E2-S5 PolarHBondContact O-N 3.46Å; E2-S5 PolarHBondContact O-OG 3.16Å
6Q86.8Confident84.5Confident174 Ų174124.6 Ų124.681%0.81363%0.628SS**THydrogen-bonded Turntrans-85-8.5177.2-60.4-179.83.100113.5Y4Y4-Q6 PolarHBondContact O-N 3.41Å
7L90.8Very high85Confident108 Ų108117.4 Ų117.457%0.56559%0.592SS**SBendtrans-81.6140.4177.3-62.1-175.2000110.5Y4 R9Y4-L7 HydrophobicContact CD1-CD1 3.72Å; Y4-L7 PolarHBondContact O-N 2.85Å; L7-R9 PolarHBondContact O-N 2.67Å
8N89.3Confident85.4Confident168 Ų168115.7 Ų115.790%0.89858%0.581SS**PPolyproline II helixtrans-57.8137.8171.9-67.8-12.7000110.2
9R88.6Confident85.9Confident203 Ų203114 Ų11477%0.76658%0.578SS**PPolyproline II helixtrans-99.5146.8174.3-65.6-179.8177-169.7-0.5108.9L7 Q11L7-R9 PolarHBondContact O-N 2.67Å; R9-Q11 PolarHBondContact O-N 3.02Å
10A90.5Very high86.2Confident111 Ų111108.7 Ų108.792%0.91755%0.551SS**PPolyproline II helixtrans-60.8126.1163.800000108.4
11Q86.4Confident86.6Confident152 Ų152103.6 Ų103.671%0.7153%0.525SS*.  trans-111161.4178.4-69.3177.8-65.600109.5R9 E140R9-Q11 PolarHBondContact O-N 3.02Å; Q11-E140 PolarHBondContact NE2-OE1 3.24Å
12L88.5Confident88.6Confident63 Ų6397.2 Ų97.233%0.3350%0.498SS..  trans-107120.1174.2-66.6171000108Y16 F82 V141L12-Y16 HydrophobicContact CD2-CD1 3.56Å; L12-Y16 HydrophobicContact CD2-CE1 3.85Å; L12-Y16 HydrophobicContact CD2-CG 3.98Å; L12-F82 HydrophobicContact CD1-CB 4.18Å; L12-F82 HydrophobicContact CD1-CD2 3.17Å; L12-F82 HydrophobicContact CD1-CE2 3.57Å; L12-F82 HydrophobicContact CD1-CG 3.72Å; L12-F82 HydrophobicContact CD1-CZ 4.38Å; L12-V141 HydrophobicContact CB-CG2 4.34Å
13S90.9Very high90.1Very high37 Ų3790.6 Ų90.626%0.25947%0.47SS..BIsolated β-bridgetrans-75.8153.1165.6171.10000109.7D15 Y16 D139S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 PolarHBondContact OG-N 3.45Å; S13-Y16 WeakPolarHBondContact O-CB 3.26Å; S13-Y16 PolarHBondContact O-N 3.06Å; S13-D139 CarbonylContact C-O 3.6Å; S13-D139 WeakPolarHBondContact CA-O 3.45Å; S13-D139 WeakPolarHBondContact CB-OD1 3.45Å; S13-D139 PolarHBondContact OG-OD1 3Å
14Y90.1Very high90.8Very high54 Ų5485.1 Ų85.121%0.21244%0.436CS..THydrogen-bonded Turntrans-58-30.8174.390.2-75.3000111.9Y16 L17 H133 E134 L138 D139Y14-Y16 PolarHBondContact O-N 3.42Å; Y14-L17 VanDerWaalsContact O-CB 3.23Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 WeakPolarHBondContact O-CG 3.34Å; Y14-L17 PolarHBondContact O-N 3.1Å; Y14-H133 HydrophobicContact CD2-CB 4.04Å; Y14-H133 HydrophobicContact CG-CB 4.23Å; Y14-E134 HydrophobicContact CE2-CG 3.98Å; Y14-L138 WeakPolarHBondContact CD1-O 2.9Å; Y14-D139 PolarHBondContact N-O 3.38Å
15D92.2Very high91.1Very high78 Ų7885.5 Ų85.542%0.41744%0.444SS..THydrogen-bonded Turntrans-62.2-29.2175.5-78.6-31.7000112.4S13 L17 H18 T19S13-D15 PolarHBondContact O-N 2.94Å; S13-D15 PolarHBondContact OG-N 3.45Å; D15-L17 PolarHBondContact O-N 3.37Å; D15-L17 VanDerWaalsContact O-N 3.16Å; D15-H18 WeakPolarHBondContact O-CA 3.3Å; D15-H18 VanDerWaalsContact O-CB 3.3Å; D15-H18 WeakPolarHBondContact O-CB 3.34Å; D15-H18 PolarHBondContact O-N 2.95Å; D15-T19 PolarHBondContact O-N 3.18Å; D15-T19 PolarHBondContact O-OG1 3.15Å
16Y93.6Very high91.5Very high98 Ų9883.7 Ų83.738%0.38443%0.426SS..Hα-helixtrans-62-25.2176.4-171.2-97.4000112.2L12 S13 Y14 H18 T19 N20 F82L12-Y16 HydrophobicContact CD2-CD1 3.56Å; L12-Y16 HydrophobicContact CD2-CE1 3.85Å; L12-Y16 HydrophobicContact CD2-CG 3.98Å; S13-Y16 WeakPolarHBondContact O-CB 3.26Å; S13-Y16 PolarHBondContact O-N 3.06Å; Y14-Y16 PolarHBondContact O-N 3.42Å; Y16-H18 PolarHBondContact O-N 3.17Å; Y16-T19 PolarHBondContact O-N 2.89Å; Y16-N20 HydrophobicContact CD1-CB 4.27Å; Y16-N20 HydrophobicContact CE1-CB 4.04Å; Y16-N20 WeakPolarHBondContact O-CB 3.45Å; Y16-N20 PolarHBondContact O-N 2.98Å; Y16-F82 HydrophobicContact CD1-CE1 4.26Å; Y16-F82 HydrophobicContact CE1-CD1 4.08Å; Y16-F82 HydrophobicContact CE1-CE1 4.08Å
17L92.1Very high91.9Very high2 Ų275.8 Ų75.81%0.0139%0.389CS..Hα-helixtrans-59.5-37.2172.7-61178000111.2Y14 D15 S21 F82 M107 L128 R130 V141Y14-L17 VanDerWaalsContact O-CB 3.23Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 WeakPolarHBondContact O-CG 3.34Å; Y14-L17 PolarHBondContact O-N 3.1Å; D15-L17 PolarHBondContact O-N 3.37Å; D15-L17 VanDerWaalsContact O-N 3.16Å; L17-S21 PolarHBondContact O-N 2.96Å; L17-F82 HydrophobicContact CD2-CZ 3.82Å; L17-M107 HydrophobicContact CB-CG 4.24Å; L17-M107 HydrophobicContact CB-SD 4.31Å; L17-M107 HydrophobicContact CD1-SD 4.43Å; L17-L128 HydrophobicContact CD1-CD1 3.96Å; L17-L128 HydrophobicContact CD2-CD1 4.41Å; L17-L128 HydrophobicContact CD2-CD2 4.46Å; L17-R130 HydrophobicContact CD1-CG 4.1Å; L17-V141 HydrophobicContact CD1-CG1 4.43Å; L17-V141 HydrophobicContact CD1-CG2 4.38Å; L17-V141 HydrophobicContact CD2-CG2 4.42Å; L17-V141 HydrophobicContact CG-CG2 4.27Å
18H93.1Very high92.2Very high87 Ų8770.6 Ų70.640%0.40336%0.362SS..Hα-helixtrans-71.9-51.5173.8-173.137.4000111.7D15 Y16 N20 S21 T22 R130D15-H18 WeakPolarHBondContact O-CA 3.3Å; D15-H18 VanDerWaalsContact O-CB 3.3Å; D15-H18 WeakPolarHBondContact O-CB 3.34Å; D15-H18 PolarHBondContact O-N 2.95Å; Y16-H18 PolarHBondContact O-N 3.17Å; H18-N20 PolarHBondContact O-N 3.35Å; H18-S21 PolarHBondContact ND1-OG 3.28Å; H18-S21 WeakPolarHBondContact O-CA 3.45Å; H18-S21 WeakPolarHBondContact O-CB 3.34Å; H18-S21 PolarHBondContact O-N 2.9Å; H18-S21 PolarHBondContact O-OG 2.92Å; H18-T22 PolarHBondContact O-N 2.89Å; H18-R130 VanDerWaalsContact CB-NH1 3.35Å
19T93.9Very high92.6Very high83 Ų8362.6 Ų62.651%0.50932%0.319SS..Hα-helixtrans-55.9-38.9179.7-51.30000111.7D15 Y16 S21 T22D15-T19 PolarHBondContact O-N 3.18Å; D15-T19 PolarHBondContact O-OG1 3.15Å; Y16-T19 PolarHBondContact O-N 2.89Å; T19-S21 VanDerWaalsContact C-N 3.26Å; T19-S21 PolarHBondContact O-N 2.9Å; T19-T22 PolarHBondContact O-N 3.4Å; T19-T22 PolarHBondContact O-OG1 3.47Å
20N92.6Very high93Very high8 Ų853 Ų534%0.04328%0.283CS..Hα-helixtrans-68.7-25.8177.5-169.845.1000113.2Y16 H18 T23 N100 S104 H436Y16-N20 HydrophobicContact CD1-CB 4.27Å; Y16-N20 HydrophobicContact CE1-CB 4.04Å; Y16-N20 WeakPolarHBondContact O-CB 3.45Å; Y16-N20 PolarHBondContact O-N 2.98Å; H18-N20 PolarHBondContact O-N 3.35Å; N20-T23 VanDerWaalsContact O-CG2 3.3Å; N20-T23 WeakPolarHBondContact O-CG2 3.47Å; N20-N100 PolarHBondContact ND2-ND2 3.22Å; N20-N100 PolarHBondContact ND2-OD1 3.47Å; N20-N100 PolarHBondContact OD1-ND2 2.95Å; N20-S104 PolarHBondContact ND2-N 3.33Å; N20-S104 VanDerWaalsContact O-CB 3.26Å; N20-S104 WeakPolarHBondContact O-CB 3.37Å; N20-H436 PolarHBondContact OD1-CE1 2.95Å
21S94.6Very high93.4Very high2 Ų247.7 Ų47.71%0.01424%0.239CC..Hα-helixtrans-77.7-27.1179.475.60000113.7L17 H18 T19 T23 H24L17-S21 PolarHBondContact O-N 2.96Å; H18-S21 PolarHBondContact ND1-OG 3.28Å; H18-S21 WeakPolarHBondContact O-CA 3.45Å; H18-S21 WeakPolarHBondContact O-CB 3.34Å; H18-S21 PolarHBondContact O-N 2.9Å; H18-S21 PolarHBondContact O-OG 2.92Å; T19-S21 VanDerWaalsContact C-N 3.26Å; T19-S21 PolarHBondContact O-N 2.9Å; S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 VanDerWaalsContact O-N 3.1Å; S21-H24 PolarHBondContact O-N 3.11Å
22T94.7Very high93.9Very high81 Ų8140.5 Ų40.550%0.49721%0.206SC..THydrogen-bonded Turntrans-67.4-11.7-177.764.10000113.2H18 T19 H24H18-T22 PolarHBondContact O-N 2.89Å; T19-T22 PolarHBondContact O-N 3.4Å; T19-T22 PolarHBondContact O-OG1 3.47Å; T22-H24 PolarHBondContact O-N 3.3Å; T22-H24 VanDerWaalsContact O-N 3.13Å
23T93Very high94.4Very high31 Ų3137.7 Ų37.719%0.1919%0.191CC..THydrogen-bonded Turntrans-58.2-24171.8-163.50000113.1N20 S21 H436 N437N20-T23 VanDerWaalsContact O-CG2 3.3Å; N20-T23 WeakPolarHBondContact O-CG2 3.47Å; S21-T23 PolarHBondContact O-N 3.21Å; S21-T23 VanDerWaalsContact O-N 3.1Å; T23-H436 WeakPolarHBondContact CB-ND1 3.3Å; T23-H436 PolarHBondContact OG1-ND1 3.42Å; T23-N437 HydrophobicContact CG2-CB 4.22Å; T23-N437 WeakPolarHBondContact O-CB 3.48Å; T23-N437 PolarHBondContact O-ND2 2.65Å
24H94.5Very high94.7Very high1 Ų136.3 Ų36.31%0.00518%0.181CC..  trans-101.288.4-177.2-70.7-68.8000111.1S21 T22 A30 S104 R108S21-H24 PolarHBondContact O-N 3.11Å; T22-H24 PolarHBondContact O-N 3.3Å; T22-H24 VanDerWaalsContact O-N 3.13Å; H24-A30 HydrophobicContact CB-CB 3.99Å; H24-A30 PolarHBondContact ND1-N 3.1Å; H24-S104 PolarHBondContact NE2-OG 3.4Å; H24-R108 HydrophobicContact CB-CB 4.2Å; H24-R108 HydrophobicContact CB-CG 3.74Å; H24-R108 VanDerWaalsContact O-CD 3.3Å; H24-R108 WeakPolarHBondContact O-CD 3.31Å; H24-R108 PolarHBondContact O-NE 3.01Å
25E92.3Very high95.1Very high174 Ų17433.8 Ų33.881%0.81317%0.171SC*.SBendtrans-68.9-47.6166.3-67.5168.6-165.600110.3L27E25-L27 PolarHBondContact O-N 3.35Å
26F93.3Very high95.3Very high42 Ų4230 Ų3018%0.18415%0.151CC..SBendtrans-80105.2174.2-177-132.4000111.2F28 G29 L226 Y254 M404F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 HydrophobicContact CD1-CB 4.38Å; F26-F28 HydrophobicContact CE1-CB 3.76Å; F26-F28 HydrophobicContact CE2-CB 4.06Å; F26-F28 HydrophobicContact CE2-CD2 4.06Å; F26-F28 HydrophobicContact CE2-CG 4.28Å; F26-F28 HydrophobicContact CZ-CB 3.59Å; F26-F28 AromaticContact CZ-CD2 3.79Å; F26-F28 HydrophobicContact CZ-CD2 3.79Å; F26-F28 HydrophobicContact CZ-CG 4.07Å; F26-F28 PolarHBondContact O-N 2.65Å; F26-G29 WeakPolarHBondContact O-CA 3.26Å; F26-G29 PolarHBondContact O-N 2.93Å; F26-L226 HydrophobicContact CE2-CD1 4.45Å; F26-Y254 HydrophobicContact CE1-CD2 4.31Å; F26-Y254 HydrophobicContact CE1-CE1 4.31Å; F26-Y254 AromaticContact CE1-CE2 3.86Å; F26-Y254 HydrophobicContact CE1-CE2 3.86Å; F26-Y254 AromaticContact CE1-CZ 3.84Å; F26-Y254 HydrophobicContact CZ-CD2 4.46Å; F26-Y254 HydrophobicContact CZ-CE2 4.44Å; F26-M404 HydrophobicContact CE1-CE 3.95Å; F26-M404 HydrophobicContact CZ-CE 4.12Å
27L95.7Very high95.4Very high8 Ų827.6 Ų27.64%0.04214%0.144CC..Hα-helixtrans-58.4-35.4-174.5-177.657000114.1E25 G29 A30 I31 R108 I109 E214 L215 L226E25-L27 PolarHBondContact O-N 3.35Å; L27-G29 PolarHBondContact O-N 3.28Å; L27-A30 WeakPolarHBondContact O-CB 3.42Å; L27-A30 PolarHBondContact O-N 2.9Å; L27-A30 VanDerWaalsContact O-N 3.13Å; L27-I31 PolarHBondContact O-N 3.47Å; L27-R108 HydrophobicContact CD1-CG 3.98Å; L27-I109 HydrophobicContact CD1-CG1 3.92Å; L27-E214 HydrophobicContact CD2-CB 3.82Å; L27-L215 HydrophobicContact CD2-CD2 3.46Å; L27-L215 VanDerWaalsContact CD2-CD2 3.46Å; L27-L215 HydrophobicContact CD2-CG 3.87Å; L27-L215 HydrophobicContact CG-CD2 4.13Å; L27-L226 HydrophobicContact CB-CD2 4.03Å; L27-L226 HydrophobicContact CD2-CD2 3.85Å; L27-L226 HydrophobicContact CG-CD2 4.3Å
28F97.1Very high95.6Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-69.4-22.3174.8-64.4-17.1000113.1F26 A30 I31 A32 L215 L226 R249 S250 L251 Y254F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 HydrophobicContact CD1-CB 4.38Å; F26-F28 HydrophobicContact CE1-CB 3.76Å; F26-F28 HydrophobicContact CE2-CB 4.06Å; F26-F28 HydrophobicContact CE2-CD2 4.06Å; F26-F28 HydrophobicContact CE2-CG 4.28Å; F26-F28 HydrophobicContact CZ-CB 3.59Å; F26-F28 AromaticContact CZ-CD2 3.79Å; F26-F28 HydrophobicContact CZ-CD2 3.79Å; F26-F28 HydrophobicContact CZ-CG 4.07Å; F26-F28 PolarHBondContact O-N 2.65Å; F28-A30 VanDerWaalsContact C-N 3.31Å; F28-I31 HydrophobicContact CD1-CD1 3.97Å; F28-I31 HydrophobicContact CE1-CD1 4.45Å; F28-I31 PolarHBondContact O-N 2.91Å; F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 2.87Å; F28-L215 HydrophobicContact CE1-CD2 4.17Å; F28-L226 HydrophobicContact CD1-CD2 3.97Å; F28-L226 HydrophobicContact CD1-CG 4.46Å; F28-L226 HydrophobicContact CE1-CD2 3.52Å; F28-L226 HydrophobicContact CE1-CG 3.85Å; F28-L226 HydrophobicContact CE2-CG 4.15Å; F28-L226 HydrophobicContact CZ-CD2 3.91Å; F28-L226 HydrophobicContact CZ-CG 3.68Å; F28-R249 WeakPolarHBondContact CZ-O 3.35Å; F28-S250 VanDerWaalsContact CE2-C 3.43Å; F28-L251 HydrophobicContact CB-CD1 4.27Å; F28-L251 HydrophobicContact CD1-CB 4.38Å; F28-L251 HydrophobicContact CD1-CD1 3.86Å; F28-L251 HydrophobicContact CD2-CD1 4.34Å; F28-L251 HydrophobicContact CE1-CB 3.86Å; F28-L251 HydrophobicContact CE1-CD1 4.21Å; F28-L251 HydrophobicContact CE2-CB 4.16Å; F28-L251 VanDerWaalsContact CE2-N 3.33Å; F28-L251 HydrophobicContact CG-CD1 3.92Å; F28-L251 HydrophobicContact CZ-CB 3.73Å; F28-L251 VanDerWaalsContact CZ-N 3.32Å; F28-Y254 HydrophobicContact CB-CD1 3.68Å; F28-Y254 HydrophobicContact CB-CE1 3.81Å; F28-Y254 HydrophobicContact CB-CG 4.36Å; F28-Y254 HydrophobicContact CD2-CD1 4.35Å; F28-Y254 HydrophobicContact CD2-CG 4.34Å; F28-Y254 HydrophobicContact CG-CD1 4.37Å
29G96.5Very high95.7Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-59.9-41.9168.300000111.8F26 L27 A32 E33F26-G29 WeakPolarHBondContact O-CA 3.26Å; F26-G29 PolarHBondContact O-N 2.93Å; L27-G29 PolarHBondContact O-N 3.28Å; G29-A32 PolarHBondContact O-N 3.46Å; G29-E33 PolarHBondContact O-N 2.89Å
30A97.6Very high95.7Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-63.8-42.9173.800000112.2H24 L27 F28 A32 E33 L34 R108 I109H24-A30 HydrophobicContact CB-CB 3.99Å; H24-A30 PolarHBondContact ND1-N 3.1Å; L27-A30 WeakPolarHBondContact O-CB 3.42Å; L27-A30 PolarHBondContact O-N 2.9Å; L27-A30 VanDerWaalsContact O-N 3.13Å; F28-A30 VanDerWaalsContact C-N 3.31Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 2.91Å; A30-E33 WeakPolarHBondContact O-CB 3.48Å; A30-E33 PolarHBondContact O-N 3.36Å; A30-L34 VanDerWaalsContact O-CD1 3.27Å; A30-L34 WeakPolarHBondContact O-CD1 3.38Å; A30-R108 HydrophobicContact CB-CB 3.96Å; A30-R108 HydrophobicContact CB-CG 3.92Å; A30-I109 HydrophobicContact CB-CD1 4.29Å; A30-I109 HydrophobicContact CB-CG1 4.13Å
31I98.2Very high95.7Very high1 Ų124.5 Ų24.51%0.00513%0.128CC..Hα-helixtrans-62.5-41.8175.3-66.4-179.1000110.8L27 F28 E33 L34 I35 F64 I109 L215 L251L27-I31 PolarHBondContact O-N 3.47Å; F28-I31 HydrophobicContact CD1-CD1 3.97Å; F28-I31 HydrophobicContact CE1-CD1 4.45Å; F28-I31 PolarHBondContact O-N 2.91Å; I31-E33 VanDerWaalsContact C-N 3.27Å; I31-E33 PolarHBondContact O-N 3.34Å; I31-L34 WeakPolarHBondContact O-CB 3.49Å; I31-L34 PolarHBondContact O-N 2.79Å; I31-I35 HydrophobicContact CG2-CD1 4.16Å; I31-I35 PolarHBondContact O-N 3.39Å; I31-F64 HydrophobicContact CG2-CE1 3.82Å; I31-F64 HydrophobicContact CG2-CZ 3.97Å; I31-I109 HydrophobicContact CG1-CD1 3.67Å; I31-I109 HydrophobicContact CG1-CG1 4.24Å; I31-L215 HydrophobicContact CD1-CD1 4.38Å; I31-L215 HydrophobicContact CD1-CD2 4.31Å; I31-L251 HydrophobicContact CB-CD1 4.43Å; I31-L251 HydrophobicContact CD1-CD1 4.27Å; I31-L251 HydrophobicContact CD1-CD2 3.97Å; I31-L251 HydrophobicContact CG2-CD1 3.92Å; I31-L251 HydrophobicContact CG2-CD2 4.09Å
32A98.2Very high95.7Very high0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-65.3-26.6-17900000113.6F28 G29 A30 L34 I35 D36 Y254 L258F28-A32 WeakPolarHBondContact O-CB 3.35Å; F28-A32 PolarHBondContact O-N 2.87Å; G29-A32 PolarHBondContact O-N 3.46Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 2.91Å; A32-L34 PolarHBondContact O-N 2.96Å; A32-I35 PolarHBondContact O-N 3.31Å; A32-D36 WeakPolarHBondContact O-CB 3.37Å; A32-D36 PolarHBondContact O-N 2.91Å; A32-Y254 HydrophobicContact CB-CE1 3.91Å; A32-L258 HydrophobicContact CB-CD1 3.92Å; A32-L258 HydrophobicContact CB-CD2 3.98Å
33E97.6Very high95.7Very high4 Ų423.7 Ų23.72%0.01914%0.135CC..Hα-helixtrans-57.5-35.4170.2-74.1-71.217600112.6G29 A30 I31 N37 G101 K438G29-E33 PolarHBondContact O-N 2.89Å; A30-E33 WeakPolarHBondContact O-CB 3.48Å; A30-E33 PolarHBondContact O-N 3.36Å; I31-E33 VanDerWaalsContact C-N 3.27Å; I31-E33 PolarHBondContact O-N 3.34Å; E33-N37 PolarHBondContact O-N 3.45Å; E33-N37 PolarHBondContact O-ND2 3.47Å; E33-G101 WeakPolarHBondContact CB-O 3.43Å; E33-G101 VanDerWaalsContact CD-CA 3.41Å; E33-G101 WeakPolarHBondContact OE2-CA 3.47Å; E33-K438 VanDerWaalsContact CD-NZ 3.27Å; E33-K438 WeakPolarHBondContact OE1-CD 3.36Å; E33-K438 VanDerWaalsContact OE1-CE 3.24Å; E33-K438 WeakPolarHBondContact OE1-CE 3.27Å; E33-K438 IonicContact OE1-NZ 2.65Å; E33-K438 PolarHBondContact OE1-NZ 3Å; E33-K438 IonicContact OE2-NZ 2.8Å; E33-K438 PolarHBondContact OE2-NZ 3.5Å
34L97.8Very high95.8Very high9 Ų925 Ų255%0.04714%0.143CC..Hα-helixtrans-74.2-39.8177.4-73.775.9000111A30 I31 A32 N37 A38 F64 L102 I109 V200 I202A30-L34 VanDerWaalsContact O-CD1 3.27Å; A30-L34 WeakPolarHBondContact O-CD1 3.38Å; I31-L34 WeakPolarHBondContact O-CB 3.49Å; I31-L34 PolarHBondContact O-N 2.79Å; A32-L34 PolarHBondContact O-N 2.96Å; L34-N37 PolarHBondContact O-N 2.9Å; L34-A38 PolarHBondContact O-N 3.49Å; L34-F64 HydrophobicContact CB-CD1 4.05Å; L34-F64 HydrophobicContact CB-CE1 4.07Å; L34-F64 HydrophobicContact CB-CG 4.37Å; L34-F64 HydrophobicContact CB-CZ 4.42Å; L34-F64 HydrophobicContact CD2-CD1 4.27Å; L34-F64 HydrophobicContact CD2-CD2 3.47Å; L34-F64 VanDerWaalsContact CD2-CD2 3.47Å; L34-F64 HydrophobicContact CD2-CE1 4.24Å; L34-F64 HydrophobicContact CD2-CE2 3.44Å; L34-F64 VanDerWaalsContact CD2-CE2 3.44Å; L34-F64 HydrophobicContact CD2-CG 3.92Å; L34-F64 HydrophobicContact CD2-CZ 3.85Å; L34-L102 HydrophobicContact CG-CD1 4.16Å; L34-I109 HydrophobicContact CD1-CD1 4.45Å; L34-V200 HydrophobicContact CD2-CB 4.49Å; L34-V200 HydrophobicContact CD2-CG1 3.79Å; L34-I202 HydrophobicContact CD2-CD1 3.71Å
35I98.2Very high95.9Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-64.6-41176-52.7178000110.6I31 A32 N37 A38 R39 L46 I48 V255 L258 Y259 M264I31-I35 HydrophobicContact CG2-CD1 4.16Å; I31-I35 PolarHBondContact O-N 3.39Å; A32-I35 PolarHBondContact O-N 3.31Å; I35-N37 VanDerWaalsContact C-N 3.28Å; I35-N37 PolarHBondContact O-N 3.32Å; I35-A38 PolarHBondContact O-N 2.97Å; I35-R39 PolarHBondContact O-N 2.92Å; I35-L46 HydrophobicContact CB-CD2 4.16Å; I35-L46 HydrophobicContact CG1-CD2 3.98Å; I35-L46 HydrophobicContact CG2-CD2 3.84Å; I35-I48 HydrophobicContact CD1-CD1 3.81Å; I35-I48 HydrophobicContact CG1-CD1 4.01Å; I35-V255 HydrophobicContact CD1-CG2 3.66Å; I35-L258 HydrophobicContact CB-CD2 4.22Å; I35-L258 HydrophobicContact CD1-CD2 4.07Å; I35-L258 HydrophobicContact CG2-CD2 4.01Å; I35-Y259 HydrophobicContact CG2-CE2 3.99Å; I35-Y259 WeakPolarHBondContact CG2-OH 3.4Å; I35-Y259 PolarHBondContact O-OH 3.16Å; I35-M264 HydrophobicContact CG2-CE 3.63Å
36D97.1Very high96.1Very high0 Ų019.7 Ų19.70%012%0.118CC..Hα-helixtrans-58-42.4175.8-71.1-13000110.5A32 R39 D40 I95 Y259 R400 K438A32-D36 WeakPolarHBondContact O-CB 3.37Å; A32-D36 PolarHBondContact O-N 2.91Å; D36-R39 PolarHBondContact O-N 3.49Å; D36-D40 WeakPolarHBondContact O-CB 3.4Å; D36-D40 PolarHBondContact O-N 3.32Å; D36-I95 HydrophobicContact CB-CB 4.38Å; D36-I95 HydrophobicContact CB-CG2 4.15Å; D36-I95 WeakPolarHBondContact OD2-CG2 3.26Å; D36-Y259 WeakPolarHBondContact CA-OH 3.44Å; D36-Y259 PolarHBondContact N-OH 2.75Å; D36-Y259 PolarHBondContact OD1-OH 2.9Å; D36-R400 VanDerWaalsContact OD1-CD 3.29Å; D36-R400 WeakPolarHBondContact OD1-CD 3.49Å; D36-R400 IonicContact OD1-NE 2.98Å; D36-R400 PolarHBondContact OD1-NE 3.08Å; D36-R400 VanDerWaalsContact OD1-NE 3.13Å; D36-R400 IonicContact OD2-NE 3.1Å; D36-R400 PolarHBondContact OD2-NE 2.89Å; D36-K438 IonicContact OD2-NZ 3.58Å; D36-K438 PolarHBondContact OD2-NZ 3.11Å
37N95.3Very high96.4Very high46 Ų4620.4 Ų20.425%0.24612%0.124CC..Hα-helixtrans-66.8-40.9179.9-74.9-44.8000112.9E33 L34 I35 D40 A41 K87E33-N37 PolarHBondContact O-N 3.45Å; E33-N37 PolarHBondContact O-ND2 3.47Å; L34-N37 PolarHBondContact O-N 2.9Å; I35-N37 VanDerWaalsContact C-N 3.28Å; I35-N37 PolarHBondContact O-N 3.32Å; N37-D40 PolarHBondContact O-N 3.03Å; N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 3.48Å; N37-K87 PolarHBondContact OD1-NZ 3.37Å
38A96.3Very high96.5Very high2 Ų220 Ų202%0.01712%0.122CC..Hα-helixtrans-62.8-44.4174.100000111.4L34 I35 A41 A43 L46 D66 M264L34-A38 PolarHBondContact O-N 3.49Å; I35-A38 PolarHBondContact O-N 2.97Å; A38-A41 WeakPolarHBondContact O-CB 3.5Å; A38-A41 PolarHBondContact O-N 2.72Å; A38-A43 HydrophobicContact CB-CB 4.42Å; A38-A43 VanDerWaalsContact O-CB 3.24Å; A38-A43 WeakPolarHBondContact O-CB 3.44Å; A38-A43 PolarHBondContact O-N 3.43Å; A38-L46 HydrophobicContact CB-CD1 4.11Å; A38-L46 HydrophobicContact CB-CD2 4.2Å; A38-D66 HydrophobicContact CB-CB 3.78Å; A38-M264 HydrophobicContact CB-CE 4.27Å; A38-M264 HydrophobicContact CB-SD 3.94Å
39R95.4Very high96.5Very high49 Ų4922.4 Ų22.419%0.18513%0.131CC..Hα-helixtrans-59.4-49.4175.7176.3178.3170.5123.35.5111.7I35 D36 A41 G42 Y259 D261 M264I35-R39 PolarHBondContact O-N 2.92Å; D36-R39 PolarHBondContact O-N 3.49Å; R39-A41 PolarHBondContact O-N 2.72Å; R39-G42 PolarHBondContact O-N 2.95Å; R39-Y259 VanDerWaalsContact CD-CE1 3.42Å; R39-Y259 VanDerWaalsContact CD-CZ 3.44Å; R39-Y259 VanDerWaalsContact NH1-CB 3.29Å; R39-D261 IonicContact CZ-OD1 3.56Å; R39-D261 IonicContact NH1-OD1 3.43Å; R39-D261 PolarHBondContact NH1-OD1 3.12Å; R39-D261 IonicContact NH2-OD1 3.59Å; R39-D261 PolarHBondContact NH2-OD1 2.98Å; R39-D261 IonicContact NH2-OD2 2.73Å; R39-D261 PolarHBondContact NH2-OD2 3.27Å; R39-M264 HydrophobicContact CB-CE 4.16Å; R39-M264 HydrophobicContact CB-SD 4.43Å
40D93.7Very high96.6Very high38 Ų3823.8 Ų23.820%0.20314%0.14CC..Hα-helixtrans-64-26.7178.7-79-12.2000112.9D36 N37 G42 K87 A94 I95 G96D36-D40 WeakPolarHBondContact O-CB 3.4Å; D36-D40 PolarHBondContact O-N 3.32Å; N37-D40 PolarHBondContact O-N 3.03Å; D40-G42 PolarHBondContact O-N 2.95Å; D40-K87 HydrophobicContact CB-CD 4.17Å; D40-K87 WeakPolarHBondContact OD2-CD 3.49Å; D40-K87 IonicContact OD2-NZ 3.95Å; D40-K87 PolarHBondContact OD2-NZ 3.01Å; D40-A94 WeakPolarHBondContact OD1-CA 3.34Å; D40-I95 PolarHBondContact OD1-N 3.22Å; D40-I95 PolarHBondContact OD2-N 3.47Å; D40-G96 WeakPolarHBondContact OD2-CA 3.43Å; D40-G96 PolarHBondContact OD2-N 3.49Å
41A93.2Very high96.6Very high27 Ų2726.4 Ų26.422%0.22315%0.153CC..THydrogen-bonded Turntrans-76.30.817400000113N37 A38 R39 C69N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 3.48Å; A38-A41 WeakPolarHBondContact O-CB 3.5Å; A38-A41 PolarHBondContact O-N 2.72Å; R39-A41 PolarHBondContact O-N 2.72Å; A41-C69 PolarHBondContact O-N 2.69Å
42G93.1Very high96.5Very high57 Ų5735.2 Ų35.259%0.58819%0.191SC*.THydrogen-bonded Turntrans76.720.3179.500000114R39 D40R39-G42 PolarHBondContact O-N 2.95Å; D40-G42 PolarHBondContact O-N 2.95Å
43A95.5Very high96.4Very high8 Ų837 Ų377%0.06620%0.201CC..  trans-61.8136.9178.600000111.4A38 D66 M264A38-A43 HydrophobicContact CB-CB 4.42Å; A38-A43 VanDerWaalsContact O-CB 3.24Å; A38-A43 WeakPolarHBondContact O-CB 3.44Å; A38-A43 PolarHBondContact O-N 3.43Å; A43-D66 HydrophobicContact CB-CB 3.91Å; A43-M264 HydrophobicContact CB-CG 4.48Å; A43-M264 HydrophobicContact CB-SD 3.79Å; A43-M264 WeakPolarHBondContact O-CB 3.49Å; A43-M264 WeakPolarHBondContact O-CG 3.38Å
44T95.6Very high96.2Very high58 Ų5841.9 Ų41.936%0.35624%0.236SC..SBendtrans-90.2-24.7171.860.90000111.5N67 K265 L516T44-N67 PolarHBondContact N-OD1 3.18Å; T44-N67 PolarHBondContact OG1-ND2 2.89Å; T44-N67 PolarHBondContact OG1-OD1 3.21Å; T44-K265 PolarHBondContact O-N 2.68Å; T44-L516 HydrophobicContact CG2-CD1 3.92Å
45E96.1Very high96.1Very high64 Ų6445.5 Ų45.530%0.29926%0.262SS..EExtended strand (participates in β ladder)trans-136.9139-178.6-59.1-169.8178.200110.6D66 N67 K265E45-D66 WeakPolarHBondContact O-CA 3.27Å; E45-N67 PolarHBondContact N-OD1 3.26Å; E45-N67 PolarHBondContact O-N 3.47Å; E45-N67 PolarHBondContact O-OD1 2.96Å; E45-K265 CarbonylContact C-O 3.53Å; E45-K265 WeakPolarHBondContact CA-O 3.43Å; E45-K265 HydrophobicContact CG-CB 4.42Å; E45-K265 VanDerWaalsContact CG-CE 3.47Å; E45-K265 WeakPolarHBondContact OE1-CE 3.41Å; E45-K265 IonicContact OE1-NZ 3.75Å; E45-K265 PolarHBondContact OE1-NZ 3.42Å
46L97.7Very high96Very high1 Ų146 Ų461%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-134.1122.5172171.567.6000109.1I35 A38 I48 F64 A65 D66 M264 K265 V266 Y267I35-L46 HydrophobicContact CB-CD2 4.16Å; I35-L46 HydrophobicContact CG1-CD2 3.98Å; I35-L46 HydrophobicContact CG2-CD2 3.84Å; A38-L46 HydrophobicContact CB-CD1 4.11Å; A38-L46 HydrophobicContact CB-CD2 4.2Å; L46-I48 HydrophobicContact CD2-CD1 4.15Å; L46-I48 HydrophobicContact CD2-CG1 4.14Å; L46-I48 HydrophobicContact CG-CG1 4.08Å; L46-F64 HydrophobicContact CD1-CB 4.22Å; L46-A65 CarbonylContact C-O 3.53Å; L46-A65 WeakPolarHBondContact CA-O 3.41Å; L46-D66 HydrophobicContact CD1-CB 4Å; L46-M264 HydrophobicContact CB-CE 4.01Å; L46-M264 HydrophobicContact CB-CG 4.35Å; L46-M264 HydrophobicContact CB-SD 3.85Å; L46-M264 HydrophobicContact CD2-CE 3.81Å; L46-K265 PolarHBondContact N-O 3.27Å; L46-V266 HydrophobicContact CD2-CG1 4.4Å; L46-V266 CarbonylContact O-C 3.46Å; L46-V266 WeakPolarHBondContact O-CA 3.36Å; L46-Y267 PolarHBondContact O-N 3.37Å
47D97.7Very high96Very high57 Ų5751.3 Ų51.331%0.30529%0.285SS..EExtended strand (participates in β ladder)trans-99.6120.9172.2-75.5-79.6000110.5Y49 F64 A65 Y267D47-Y49 HydrophobicContact CB-CD1 4.09Å; D47-Y49 HydrophobicContact CB-CE1 4.4Å; D47-F64 CarbonylContact O-C 3.45Å; D47-F64 WeakPolarHBondContact O-CA 3.49Å; D47-A65 HydrophobicContact CB-CB 4.4Å; D47-A65 PolarHBondContact N-O 3.21Å; D47-A65 PolarHBondContact O-N 3.01Å; D47-Y267 VanDerWaalsContact OD1-CB 3.23Å; D47-Y267 WeakPolarHBondContact OD1-CB 3.43Å
48I98.5Very high96Very high0 Ų049.6 Ų49.60%028%0.278CS..EExtended strand (participates in β ladder)trans-110.4116.6172.6-50.5176.9000107.6I35 L46 L62 C63 F64 I224 V266 Y267 L268 Q269I35-I48 HydrophobicContact CD1-CD1 3.81Å; I35-I48 HydrophobicContact CG1-CD1 4.01Å; L46-I48 HydrophobicContact CD2-CD1 4.15Å; L46-I48 HydrophobicContact CD2-CG1 4.14Å; L46-I48 HydrophobicContact CG-CG1 4.08Å; I48-L62 HydrophobicContact CG2-CD1 4.23Å; I48-C63 WeakPolarHBondContact CA-O 3.33Å; I48-F64 HydrophobicContact CD1-CD1 4.13Å; I48-F64 HydrophobicContact CD1-CE1 4.01Å; I48-F64 HydrophobicContact CG1-CD1 3.82Å; I48-F64 HydrophobicContact CG1-CE1 4.09Å; I48-F64 HydrophobicContact CG2-CD1 4.19Å; I48-F64 HydrophobicContact CG2-CE1 3.91Å; I48-F64 HydrophobicContact CG2-CZ 4.34Å; I48-I224 HydrophobicContact CG2-CD1 4.37Å; I48-V266 HydrophobicContact CD1-CG1 3.79Å; I48-V266 HydrophobicContact CG1-CG1 4.19Å; I48-Y267 PolarHBondContact N-O 2.86Å; I48-L268 HydrophobicContact CB-CD1 3.73Å; I48-L268 HydrophobicContact CG2-CD1 3.66Å; I48-L268 CarbonylContact O-C 3.55Å; I48-L268 VanDerWaalsContact O-CA 3.32Å; I48-L268 WeakPolarHBondContact O-CA 3.46Å; I48-Q269 PolarHBondContact O-N 3.39Å
49Y98.1Very high96Very high50 Ų5054.4 Ų54.420%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-151.7162-175.164.5-87.8000111.5D47 I51 C63 A65 K191D47-Y49 HydrophobicContact CB-CD1 4.09Å; D47-Y49 HydrophobicContact CB-CE1 4.4Å; Y49-I51 HydrophobicContact CD2-CG1 4.11Å; Y49-I51 HydrophobicContact CE2-CD1 3.94Å; Y49-I51 HydrophobicContact CE2-CG1 3.75Å; Y49-C63 HydrophobicContact CD1-CB 4.11Å; Y49-C63 HydrophobicContact CD2-CB 3.99Å; Y49-C63 HydrophobicContact CE1-CB 3.68Å; Y49-C63 HydrophobicContact CE2-CB 3.51Å; Y49-C63 HydrophobicContact CG-CB 4.25Å; Y49-C63 PolarHBondContact N-O 3.04Å; Y49-C63 PolarHBondContact O-N 3.47Å; Y49-C63 WeakPolarHBondContact OH-CB 3.38Å; Y49-A65 HydrophobicContact CE1-CB 4.26Å; Y49-K191 PolarHBondContact OH-NZ 3.47Å
50T98.1Very high96.1Very high28 Ų2852.3 Ų52.317%0.17230%0.296CS..EExtended strand (participates in β ladder)trans-113.3140.3178.558.40000111.7F60 L61 L62 V217 I224 Q269T50-F60 HydrophobicContact CG2-CD2 3.79Å; T50-F60 HydrophobicContact CG2-CE2 4.12Å; T50-L61 CarbonylContact C-O 3.48Å; T50-L61 WeakPolarHBondContact CA-O 3.5Å; T50-L62 HydrophobicContact CG2-CD1 3.87Å; T50-V217 HydrophobicContact CG2-CB 4.4Å; T50-V217 HydrophobicContact CG2-CG1 3.88Å; T50-I224 HydrophobicContact CG2-CD1 4.18Å; T50-Q269 PolarHBondContact OG1-NE2 3.01Å; T50-Q269 PolarHBondContact OG1-OE1 3.15Å
51I96.7Very high96.3Very high56 Ų5650.8 Ų50.829%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-108.4120.5171.2-55.6175.4000107.4Y49 D53 F60 L61Y49-I51 HydrophobicContact CD2-CG1 4.11Å; Y49-I51 HydrophobicContact CE2-CD1 3.94Å; Y49-I51 HydrophobicContact CE2-CG1 3.75Å; I51-D53 PolarHBondContact O-N 2.96Å; I51-F60 CarbonylContact O-C 3.59Å; I51-F60 WeakPolarHBondContact O-CA 3.47Å; I51-F60 WeakPolarHBondContact O-CB 3.47Å; I51-L61 HydrophobicContact CB-CB 4.25Å; I51-L61 HydrophobicContact CB-CD1 4.27Å; I51-L61 HydrophobicContact CB-CG 4.41Å; I51-L61 HydrophobicContact CD1-CD1 4.36Å; I51-L61 PolarHBondContact N-O 3.15Å; I51-L61 PolarHBondContact O-N 3.33Å
52K96.5Very high96.6Very high185 Ų18549.5 Ų49.580%0.80428%0.277SS*.EExtended strand (participates in β ladder)trans-64.8129.1173.7-67.8-173.5179.2-174.10109.6
53D95.8Very high96.8Very high37 Ų3746.8 Ų46.820%0.19825%0.249CC..  trans-153.1104.7178.5-175.2-14.3000108.3I51 S55 V56 N59 L61I51-D53 PolarHBondContact O-N 2.96Å; D53-S55 PolarHBondContact O-N 2.87Å; D53-S55 VanDerWaalsContact OD1-CB 3.28Å; D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 3.1Å; D53-S55 PolarHBondContact OD1-OG 3.3Å; D53-S55 PolarHBondContact OD2-OG 3.4Å; D53-V56 HydrophobicContact CB-CG2 4.03Å; D53-V56 VanDerWaalsContact O-CG2 3.27Å; D53-V56 WeakPolarHBondContact O-CG2 3.47Å; D53-V56 PolarHBondContact O-N 3.43Å; D53-N59 CarbonylContact C-O 3.47Å; D53-N59 PolarHBondContact N-O 3.47Å; D53-N59 CarbonylContact O-C 3.51Å; D53-N59 WeakPolarHBondContact O-CA 3.31Å; D53-L61 HydrophobicContact CB-CG 4.31Å
54S94.8Very high97Very high108 Ų10846.6 Ų46.676%0.75525%0.246SC*.THydrogen-bonded Turntrans-72.9-5.9-17956.50000113.6
55S93.9Very high97.1Very high85 Ų8544.6 Ų44.659%0.59424%0.236SC*.THydrogen-bonded Turntrans-84-12.7178.575.30000113.5D53D53-S55 PolarHBondContact O-N 2.87Å; D53-S55 VanDerWaalsContact OD1-CB 3.28Å; D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 3.1Å; D53-S55 PolarHBondContact OD1-OG 3.3Å; D53-S55 PolarHBondContact OD2-OG 3.4Å
56V96.3Very high97.1Very high10 Ų1042.4 Ų42.46%0.06123%0.227CC..SBendtrans-109.2151.5-179.8-60.60000111.4D53 G58 N59 L61 P178 Y203D53-V56 HydrophobicContact CB-CG2 4.03Å; D53-V56 VanDerWaalsContact O-CG2 3.27Å; D53-V56 WeakPolarHBondContact O-CG2 3.47Å; D53-V56 PolarHBondContact O-N 3.43Å; V56-G58 PolarHBondContact O-N 2.81Å; V56-N59 PolarHBondContact O-N 3.44Å; V56-L61 HydrophobicContact CG1-CD2 4.05Å; V56-L61 HydrophobicContact CG2-CD2 3.94Å; V56-P178 HydrophobicContact CG1-CB 4.5Å; V56-P178 HydrophobicContact CG1-CG 4.2Å; V56-Y203 HydrophobicContact CB-CD2 4.4Å; V56-Y203 HydrophobicContact CG1-CD2 3.87Å
57R96.8Very high97.1Very high111 Ų11143.6 Ų43.642%0.41923%0.233SC..THydrogen-bonded Turntrans-60130.4176-179.6-174.9179.2-178.9-2.4110.2N59 N204 M205 L207R57-N59 VanDerWaalsContact C-N 3.35Å; R57-N204 HydrophobicContact CB-CB 4.08Å; R57-N204 PolarHBondContact N-OD1 3.26Å; R57-N204 CarbonylContact O-C 3.06Å; R57-N204 WeakPolarHBondContact O-CA 3.31Å; R57-M205 WeakPolarHBondContact CD-O 3.37Å; R57-M205 PolarHBondContact NE-O 2.86Å; R57-M205 PolarHBondContact O-N 3.47Å; R57-L207 HydrophobicContact CG-CD1 3.74Å; R57-L207 HydrophobicContact CG-CD2 4.31Å; R57-L207 HydrophobicContact CG-CG 4.04Å; R57-L207 VanDerWaalsContact NE-CD1 3.27Å
58G95.7Very high97Very high10 Ų1041.1 Ų41.110%0.10322%0.22CC..THydrogen-bonded Turntrans86.6-3.5-174.500000114.9V56 F60V56-G58 PolarHBondContact O-N 2.81Å; G58-F60 VanDerWaalsContact C-N 3.27Å; G58-F60 WeakPolarHBondContact O-CD1 3.36Å; G58-F60 WeakPolarHBondContact O-CE1 3.37Å; G58-F60 PolarHBondContact O-N 2.91Å
59N97Very high96.8Very high103 Ų10344.3 Ų44.355%0.55124%0.242SC*.SBendtrans67.312.6173.4-55.4-40.6000116.6D53 V56 R57D53-N59 CarbonylContact C-O 3.47Å; D53-N59 PolarHBondContact N-O 3.47Å; D53-N59 CarbonylContact O-C 3.51Å; D53-N59 WeakPolarHBondContact O-CA 3.31Å; V56-N59 PolarHBondContact O-N 3.44Å; R57-N59 VanDerWaalsContact C-N 3.35Å
60F97.9Very high96.7Very high6 Ų642.1 Ų42.13%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-153.5158.4173.565.8-89.6000113.2T50 I51 G58 L62 M205 P213 L215 V217T50-F60 HydrophobicContact CG2-CD2 3.79Å; T50-F60 HydrophobicContact CG2-CE2 4.12Å; I51-F60 CarbonylContact O-C 3.59Å; I51-F60 WeakPolarHBondContact O-CA 3.47Å; I51-F60 WeakPolarHBondContact O-CB 3.47Å; G58-F60 VanDerWaalsContact C-N 3.27Å; G58-F60 WeakPolarHBondContact O-CD1 3.36Å; G58-F60 WeakPolarHBondContact O-CE1 3.37Å; G58-F60 PolarHBondContact O-N 2.91Å; F60-L62 HydrophobicContact CE2-CB 4.41Å; F60-M205 HydrophobicContact CD2-CG 4.35Å; F60-M205 HydrophobicContact CD2-SD 4.49Å; F60-M205 HydrophobicContact CE1-CG 4.11Å; F60-M205 HydrophobicContact CE2-CG 3.77Å; F60-M205 HydrophobicContact CE2-SD 3.7Å; F60-M205 HydrophobicContact CZ-CG 3.62Å; F60-M205 HydrophobicContact CZ-SD 3.97Å; F60-P213 HydrophobicContact CE1-CB 3.95Å; F60-P213 HydrophobicContact CE1-CG 3.99Å; F60-P213 HydrophobicContact CZ-CB 4.38Å; F60-L215 HydrophobicContact CZ-CB 4.19Å; F60-V217 HydrophobicContact CD1-CG2 3.98Å; F60-V217 HydrophobicContact CE1-CG1 4.24Å; F60-V217 HydrophobicContact CE1-CG2 4.06Å; F60-V217 HydrophobicContact CE2-CG1 4.12Å; F60-V217 HydrophobicContact CG-CG2 4.44Å; F60-V217 HydrophobicContact CZ-CG1 3.93Å
61L98.1Very high96.5Very high5 Ų542.6 Ų42.63%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-96.5135.6166.7-46176000108.6T50 I51 D53 V56 P178 I201 Y203T50-L61 CarbonylContact C-O 3.48Å; T50-L61 WeakPolarHBondContact CA-O 3.5Å; I51-L61 HydrophobicContact CB-CB 4.25Å; I51-L61 HydrophobicContact CB-CD1 4.27Å; I51-L61 HydrophobicContact CB-CG 4.41Å; I51-L61 HydrophobicContact CD1-CD1 4.36Å; I51-L61 PolarHBondContact N-O 3.15Å; I51-L61 PolarHBondContact O-N 3.33Å; D53-L61 HydrophobicContact CB-CG 4.31Å; V56-L61 HydrophobicContact CG1-CD2 4.05Å; V56-L61 HydrophobicContact CG2-CD2 3.94Å; L61-P178 HydrophobicContact CD1-CB 4.39Å; L61-P178 HydrophobicContact CD2-CB 4.17Å; L61-P178 HydrophobicContact CD2-CG 3.74Å; L61-I201 HydrophobicContact CB-CG2 4.01Å; L61-I201 HydrophobicContact CD1-CG2 4.3Å; L61-Y203 HydrophobicContact CD2-CG 4.11Å
62L98.5Very high96.4Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-98.7118169.7-177.665000109.4I48 T50 F60 F64 I109 I201 I202 M205 L215 I224I48-L62 HydrophobicContact CG2-CD1 4.23Å; T50-L62 HydrophobicContact CG2-CD1 3.87Å; F60-L62 HydrophobicContact CE2-CB 4.41Å; L62-F64 HydrophobicContact CD2-CE2 3.66Å; L62-F64 HydrophobicContact CD2-CZ 3.74Å; L62-F64 HydrophobicContact CG-CE2 3.64Å; L62-F64 HydrophobicContact CG-CZ 4.03Å; L62-I109 HydrophobicContact CD2-CG2 3.89Å; L62-I201 WeakPolarHBondContact O-CA 3.45Å; L62-I202 PolarHBondContact N-O 3.31Å; L62-I202 PolarHBondContact O-N 3.34Å; L62-M205 HydrophobicContact CB-CE 4.35Å; L62-M205 HydrophobicContact CB-SD 4.48Å; L62-L215 HydrophobicContact CD2-CD1 4.13Å; L62-I224 HydrophobicContact CD1-CD1 3.64Å
63C98.3Very high96.4Very high0 Ų034.2 Ų34.20%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1141-175.2-58.90000111.7I48 Y49 V200I48-C63 WeakPolarHBondContact CA-O 3.33Å; Y49-C63 HydrophobicContact CD1-CB 4.11Å; Y49-C63 HydrophobicContact CD2-CB 3.99Å; Y49-C63 HydrophobicContact CE1-CB 3.68Å; Y49-C63 HydrophobicContact CE2-CB 3.51Å; Y49-C63 HydrophobicContact CG-CB 4.25Å; Y49-C63 PolarHBondContact N-O 3.04Å; Y49-C63 PolarHBondContact O-N 3.47Å; Y49-C63 WeakPolarHBondContact OH-CB 3.38Å; C63-V200 CarbonylContact C-O 3.52Å; C63-V200 WeakPolarHBondContact CA-O 3.41Å
64F98.4Very high96.2Very high4 Ų437 Ų372%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-125.5116170.8-58.4-102.2000107.6I31 L34 L46 D47 I48 L62 V199 V200 I202I31-F64 HydrophobicContact CG2-CE1 3.82Å; I31-F64 HydrophobicContact CG2-CZ 3.97Å; L34-F64 HydrophobicContact CB-CD1 4.05Å; L34-F64 HydrophobicContact CB-CE1 4.07Å; L34-F64 HydrophobicContact CB-CG 4.37Å; L34-F64 HydrophobicContact CB-CZ 4.42Å; L34-F64 HydrophobicContact CD2-CD1 4.27Å; L34-F64 HydrophobicContact CD2-CD2 3.47Å; L34-F64 VanDerWaalsContact CD2-CD2 3.47Å; L34-F64 HydrophobicContact CD2-CE1 4.24Å; L34-F64 HydrophobicContact CD2-CE2 3.44Å; L34-F64 VanDerWaalsContact CD2-CE2 3.44Å; L34-F64 HydrophobicContact CD2-CG 3.92Å; L34-F64 HydrophobicContact CD2-CZ 3.85Å; L46-F64 HydrophobicContact CD1-CB 4.22Å; D47-F64 CarbonylContact O-C 3.45Å; D47-F64 WeakPolarHBondContact O-CA 3.49Å; I48-F64 HydrophobicContact CD1-CD1 4.13Å; I48-F64 HydrophobicContact CD1-CE1 4.01Å; I48-F64 HydrophobicContact CG1-CD1 3.82Å; I48-F64 HydrophobicContact CG1-CE1 4.09Å; I48-F64 HydrophobicContact CG2-CD1 4.19Å; I48-F64 HydrophobicContact CG2-CE1 3.91Å; I48-F64 HydrophobicContact CG2-CZ 4.34Å; L62-F64 HydrophobicContact CD2-CE2 3.66Å; L62-F64 HydrophobicContact CD2-CZ 3.74Å; L62-F64 HydrophobicContact CG-CE2 3.64Å; L62-F64 HydrophobicContact CG-CZ 4.03Å; F64-V199 CarbonylContact O-C 3.59Å; F64-V199 VanDerWaalsContact O-CA 3.24Å; F64-V199 WeakPolarHBondContact O-CA 3.45Å; F64-V200 HydrophobicContact CB-CB 4.21Å; F64-V200 PolarHBondContact N-O 3.35Å; F64-V200 PolarHBondContact O-N 3.47Å; F64-I202 HydrophobicContact CE2-CD1 4.16Å
65A97.5Very high96.1Very high17 Ų1733.9 Ų33.914%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-121.4114.9179.700000110L46 D47 Y49 T198 V199L46-A65 CarbonylContact C-O 3.53Å; L46-A65 WeakPolarHBondContact CA-O 3.41Å; D47-A65 HydrophobicContact CB-CB 4.4Å; D47-A65 PolarHBondContact N-O 3.21Å; D47-A65 PolarHBondContact O-N 3.01Å; Y49-A65 HydrophobicContact CE1-CB 4.26Å; A65-T198 WeakPolarHBondContact CA-O 3.14Å; A65-V199 HydrophobicContact CB-CG1 4.36Å; A65-V199 HydrophobicContact CB-CG2 4Å
66D97.5Very high96.2Very high18 Ų1829.9 Ų29.910%0.09617%0.165CC..EExtended strand (participates in β ladder)trans-112.9155.9178.173.571.4000112.3A38 A43 E45 L46 G68 G197 T198A38-D66 HydrophobicContact CB-CB 3.78Å; A43-D66 HydrophobicContact CB-CB 3.91Å; E45-D66 WeakPolarHBondContact O-CA 3.27Å; L46-D66 HydrophobicContact CD1-CB 4Å; D66-G68 WeakPolarHBondContact OD1-CA 3.24Å; D66-G68 PolarHBondContact OD1-N 2.91Å; D66-G197 VanDerWaalsContact O-CA 3.31Å; D66-G197 WeakPolarHBondContact O-CA 2.99Å; D66-T198 PolarHBondContact N-O 3.2Å; D66-T198 PolarHBondContact O-N 3.05Å; D66-T198 VanDerWaalsContact O-N 3.12Å; D66-T198 PolarHBondContact OD1-N 3.26Å; D66-T198 WeakPolarHBondContact OD2-CB 3.45Å
67N96.6Very high96Very high26 Ų2634.2 Ų34.214%0.13918%0.183CC..  trans-102.830.9173.175.6-23.1000112.8T44 E45 E194T44-N67 PolarHBondContact N-OD1 3.18Å; T44-N67 PolarHBondContact OG1-ND2 2.89Å; T44-N67 PolarHBondContact OG1-OD1 3.21Å; E45-N67 PolarHBondContact N-OD1 3.26Å; E45-N67 PolarHBondContact O-N 3.47Å; E45-N67 PolarHBondContact O-OD1 2.96Å; N67-E194 PolarHBondContact ND2-OE1 3.46Å
68G95.8Very high95.7Very high4 Ų430.6 Ų30.64%0.04117%0.172CC..SBendtrans-70.4-168.3179.200000113.5D66 G70 S196 G197D66-G68 WeakPolarHBondContact OD1-CA 3.24Å; D66-G68 PolarHBondContact OD1-N 2.91Å; G68-G70 PolarHBondContact O-N 3.2Å; G68-G70 VanDerWaalsContact O-N 3.09Å; G68-S196 CarbonylContact O-C 3.52Å; G68-S196 WeakPolarHBondContact O-CB 3.41Å; G68-S196 PolarHBondContact O-OG 3.26Å; G68-G197 PolarHBondContact O-N 3.47Å
69C94.6Very high95.5Very high68 Ų6831.3 Ų31.346%0.45917%0.174SC..  trans-66.1-11.5-177.467.50000115.2A41 K119 S196A41-C69 PolarHBondContact O-N 2.69Å; C69-K119 WeakPolarHBondContact O-CD 3.14Å; C69-S196 WeakPolarHBondContact O-CB 3.44Å
70G95.2Very high95.1Very high4 Ų429 Ų294%0.04116%0.161CC..  trans62.8-171.1-172.800000113.4G68 T117 K118G68-G70 PolarHBondContact O-N 3.2Å; G68-G70 VanDerWaalsContact O-N 3.09Å; G70-T117 WeakPolarHBondContact CA-OG1 3.37Å; G70-K118 WeakPolarHBondContact CA-O 3.45Å
71M95.6Very high94.6Very high37 Ų3732.4 Ų32.418%0.18218%0.179CC..  trans-134141.5-176.4-70.6176.2-74.900111.5D75 V76 V79 L115 T117 T198M71-D75 HydrophobicContact CB-CB 3.74Å; M71-D75 HydrophobicContact CG-CB 4.01Å; M71-V76 HydrophobicContact CB-CG2 3.75Å; M71-V76 HydrophobicContact SD-CG2 4.4Å; M71-V79 HydrophobicContact SD-CG2 3.72Å; M71-L115 HydrophobicContact CE-CD1 3.94Å; M71-L115 HydrophobicContact CE-CD2 3.71Å; M71-L115 HydrophobicContact CE-CG 4.42Å; M71-T117 HydrophobicContact CB-CG2 3.83Å; M71-T117 HydrophobicContact CE-CG2 4.16Å; M71-T117 PolarHBondContact N-OG1 2.92Å; M71-T198 HydrophobicContact CE-CG2 3.9Å
72T94.7Very high94Very high35 Ų3534.4 Ų34.422%0.21519%0.187CC..  trans-77.1166.1167.163.90000110.5D74 D75 V76 K119T72-D74 PolarHBondContact O-N 3.01Å; T72-D75 WeakPolarHBondContact CB-OD2 3.47Å; T72-D75 PolarHBondContact N-OD2 3.28Å; T72-D75 WeakPolarHBondContact O-CB 3.43Å; T72-D75 PolarHBondContact O-N 3.42Å; T72-D75 PolarHBondContact OG1-N 3.43Å; T72-D75 PolarHBondContact OG1-OD2 3.05Å; T72-V76 WeakPolarHBondContact O-CG2 3.15Å; T72-V76 PolarHBondContact O-N 3.08Å; T72-K119 HydrophobicContact CG2-CD 3.76Å; T72-K119 HydrophobicContact CG2-CG 4.29Å
73P95Very high93.2Very high30 Ų3036.4 Ų36.420%0.19521%0.208CC..Hα-helixtrans-53.9-35.9174.5-27.734.9000113.6V76 K77 I122P73-V76 PolarHBondContact O-N 3.43Å; P73-K77 WeakPolarHBondContact O-CG 3.49Å; P73-K77 PolarHBondContact O-N 2.96Å; P73-I122 HydrophobicContact CG-CG2 3.71Å
74D92.7Very high92.3Very high95 Ų9540.8 Ų40.851%0.50823%0.227SC..Hα-helixtrans-75.6-33.7177.2-67.4-34.5000112.8T72 V76 K77 N78T72-D74 PolarHBondContact O-N 3.01Å; D74-V76 VanDerWaalsContact C-N 3.31Å; D74-K77 PolarHBondContact O-N 2.87Å; D74-K77 IonicContact OD1-NZ 3.67Å; D74-K77 PolarHBondContact OD1-NZ 3.33Å; D74-N78 PolarHBondContact O-N 3.05Å; D74-N78 PolarHBondContact O-ND2 3.25Å
75D93.1Very high91.4Very high43 Ų4341.7 Ų41.723%0.2323%0.234CC..Hα-helixtrans-60.9-43.9170.2-64.1-39.3000110.1M71 T72 N78 V79 K119M71-D75 HydrophobicContact CB-CB 3.74Å; M71-D75 HydrophobicContact CG-CB 4.01Å; T72-D75 WeakPolarHBondContact CB-OD2 3.47Å; T72-D75 PolarHBondContact N-OD2 3.28Å; T72-D75 WeakPolarHBondContact O-CB 3.43Å; T72-D75 PolarHBondContact O-N 3.42Å; T72-D75 PolarHBondContact OG1-N 3.43Å; T72-D75 PolarHBondContact OG1-OD2 3.05Å; D75-N78 WeakPolarHBondContact O-CB 3.44Å; D75-N78 PolarHBondContact O-N 3.31Å; D75-N78 VanDerWaalsContact O-N 3.1Å; D75-V79 PolarHBondContact O-N 3.37Å; D75-K119 IonicContact OD2-NZ 2.87Å; D75-K119 PolarHBondContact OD2-NZ 3.04Å; D75-K119 VanDerWaalsContact OD2-NZ 3.12Å
76V94.4Very high90.3Very high1 Ų146.7 Ų46.71%0.00626%0.258CS..Hα-helixtrans-63.1-42.7177.2175.90000111.8M71 T72 P73 D74 N78 V79 T117 T124 L126 M145M71-V76 HydrophobicContact CB-CG2 3.75Å; M71-V76 HydrophobicContact SD-CG2 4.4Å; T72-V76 WeakPolarHBondContact O-CG2 3.15Å; T72-V76 PolarHBondContact O-N 3.08Å; P73-V76 PolarHBondContact O-N 3.43Å; D74-V76 VanDerWaalsContact C-N 3.31Å; V76-N78 PolarHBondContact O-N 3.13Å; V76-V79 WeakPolarHBondContact O-CB 3.44Å; V76-V79 PolarHBondContact O-N 3.01Å; V76-T117 HydrophobicContact CG2-CG2 3.65Å; V76-T124 HydrophobicContact CB-CG2 3.95Å; V76-T124 HydrophobicContact CG1-CG2 3.88Å; V76-T124 HydrophobicContact CG2-CG2 3.75Å; V76-L126 HydrophobicContact CG1-CB 3.72Å; V76-L126 HydrophobicContact CG1-CD1 3.65Å; V76-L126 HydrophobicContact CG1-CG 4.27Å; V76-M145 HydrophobicContact CG1-CG 4.37Å; V76-M145 HydrophobicContact CG1-SD 4.05Å
77K92.4Very high89.2Confident102 Ų10248.7 Ų48.744%0.44327%0.266SS..Hα-helixtrans-57.2-35172.9-70.8171-163.8162.10112.2P73 D74 V79 I80 M145P73-K77 WeakPolarHBondContact O-CG 3.49Å; P73-K77 PolarHBondContact O-N 2.96Å; D74-K77 PolarHBondContact O-N 2.87Å; D74-K77 IonicContact OD1-NZ 3.67Å; D74-K77 PolarHBondContact OD1-NZ 3.33Å; K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 3.42Å; K77-I80 WeakPolarHBondContact O-CG1 3.37Å; K77-M145 HydrophobicContact CG-CE 4.23Å; K77-M145 HydrophobicContact CG-SD 4.47Å
78N91Very high87.5Confident34 Ų3453.8 Ų53.818%0.18229%0.287CS..Hα-helixtrans-71.3-20.4177.2-65.8-47.2000113D74 D75 V76 I80 I81 K84D74-N78 PolarHBondContact O-N 3.05Å; D74-N78 PolarHBondContact O-ND2 3.25Å; D75-N78 WeakPolarHBondContact O-CB 3.44Å; D75-N78 PolarHBondContact O-N 3.31Å; D75-N78 VanDerWaalsContact O-N 3.1Å; V76-N78 PolarHBondContact O-N 3.13Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.42Å; N78-I81 PolarHBondContact O-N 3.24Å; N78-K84 HydrophobicContact CB-CD 4.41Å; N78-K84 WeakPolarHBondContact OD1-CE 3.48Å; N78-K84 PolarHBondContact OD1-NZ 3.21Å
79V91.1Very high85.4Confident25 Ų2557 Ų5715%0.15231%0.307CS..Hα-helixtrans-63.7-39.2178.6176.60000111.5M71 D75 V76 K77 I81 L102 K103 L126M71-V79 HydrophobicContact SD-CG2 3.72Å; D75-V79 PolarHBondContact O-N 3.37Å; V76-V79 WeakPolarHBondContact O-CB 3.44Å; V76-V79 PolarHBondContact O-N 3.01Å; K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 3.42Å; V79-I81 VanDerWaalsContact C-N 3.31Å; V79-L102 HydrophobicContact CG1-CD2 3.53Å; V79-K103 PolarHBondContact O-NZ 3.12Å; V79-L126 HydrophobicContact CB-CD1 4.05Å; V79-L126 HydrophobicContact CG1-CD1 4.04Å
80I88.5Confident83.4Confident55 Ų5559.9 Ų59.928%0.28231%0.314SS..THydrogen-bonded Turntrans-81.3-9.3179.961.3167.9000113.4K77 N78 F82 L126 V143 M145K77-I80 WeakPolarHBondContact O-CG1 3.37Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.42Å; I80-F82 VanDerWaalsContact O-CD2 3.27Å; I80-F82 WeakPolarHBondContact O-CD2 3.43Å; I80-F82 PolarHBondContact O-N 3.13Å; I80-L126 HydrophobicContact CG2-CD1 3.73Å; I80-L126 HydrophobicContact CG2-CG 4.45Å; I80-V143 HydrophobicContact CD1-CB 4.37Å; I80-V143 HydrophobicContact CD1-CG2 4.49Å; I80-V143 HydrophobicContact CG2-CB 4.18Å; I80-V143 HydrophobicContact CG2-CG1 3.89Å; I80-V143 HydrophobicContact CG2-CG2 3.97Å; I80-M145 HydrophobicContact CD1-CE 3.71Å; I80-M145 HydrophobicContact CD1-SD 4.05Å
81I87Confident81.4Confident78 Ų7864.1 Ų64.140%0.434%0.336SS..SBendtrans-82.2102.7174.9-56.9175.2000108.4N78 V79 G83 K84N78-I81 PolarHBondContact O-N 3.24Å; V79-I81 VanDerWaalsContact C-N 3.31Å; I81-G83 PolarHBondContact O-N 3.32Å; I81-K84 HydrophobicContact CB-CB 4.06Å; I81-K84 HydrophobicContact CB-CD 4.32Å; I81-K84 HydrophobicContact CD1-CD 4.05Å; I81-K84 HydrophobicContact CG2-CB 3.74Å; I81-K84 HydrophobicContact CG2-CD 4.12Å; I81-K84 PolarHBondContact O-N 3.45Å
82F85.3Confident79.7Confident46 Ų4665.9 Ų65.920%0.20235%0.349CS..THydrogen-bonded Turntrans-59.3134.7178.3-73.4-109.4000111.1L12 Y16 L17 I80 K84 N100 K103L12-F82 HydrophobicContact CD1-CB 4.18Å; L12-F82 HydrophobicContact CD1-CD2 3.17Å; L12-F82 HydrophobicContact CD1-CE2 3.57Å; L12-F82 HydrophobicContact CD1-CG 3.72Å; L12-F82 HydrophobicContact CD1-CZ 4.38Å; Y16-F82 HydrophobicContact CD1-CE1 4.26Å; Y16-F82 HydrophobicContact CE1-CD1 4.08Å; Y16-F82 HydrophobicContact CE1-CE1 4.08Å; L17-F82 HydrophobicContact CD2-CZ 3.82Å; I80-F82 VanDerWaalsContact O-CD2 3.27Å; I80-F82 WeakPolarHBondContact O-CD2 3.43Å; I80-F82 PolarHBondContact O-N 3.13Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.23Å; F82-N100 WeakPolarHBondContact CD1-OD1 3.3Å; F82-K103 HydrophobicContact CD1-CD 4.02Å; F82-K103 HydrophobicContact CD2-CD 4.14Å; F82-K103 HydrophobicContact CE1-CB 4.02Å; F82-K103 HydrophobicContact CE1-CD 3.78Å; F82-K103 HydrophobicContact CE1-CG 4.33Å; F82-K103 HydrophobicContact CE2-CD 3.88Å; F82-K103 HydrophobicContact CG-CD 4.21Å; F82-K103 HydrophobicContact CZ-CB 4.12Å; F82-K103 HydrophobicContact CZ-CD 3.69Å; F82-K103 HydrophobicContact CZ-CG 4.1Å
83G82.8Confident78.6Confident43 Ų4368.3 Ų68.344%0.44337%0.372SS..THydrogen-bonded Turntrans82.6-10.4178.900000115.6I81 Y98I81-G83 PolarHBondContact O-N 3.32Å; G83-Y98 CarbonylContact C-O 3.55Å; G83-Y98 WeakPolarHBondContact CA-O 3.44Å
84K79.6Confident78.1Confident92 Ų9267.5 Ų67.540%0.437%0.368SS..  trans-87125177.9-166.9176.1-177.4-178.30110.3N78 I81 F82 G99N78-K84 HydrophobicContact CB-CD 4.41Å; N78-K84 WeakPolarHBondContact OD1-CE 3.48Å; N78-K84 PolarHBondContact OD1-NZ 3.21Å; I81-K84 HydrophobicContact CB-CB 4.06Å; I81-K84 HydrophobicContact CB-CD 4.32Å; I81-K84 HydrophobicContact CD1-CD 4.05Å; I81-K84 HydrophobicContact CG2-CB 3.74Å; I81-K84 HydrophobicContact CG2-CD 4.12Å; I81-K84 PolarHBondContact O-N 3.45Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 3.23Å; K84-G99 WeakPolarHBondContact O-CA 3.38Å
85S79.9Confident77.8Confident23 Ų2363.8 Ų63.816%0.16135%0.348CS..  trans-138.5123.2169.2-179.30000109.5K87 G96 M97S85-K87 PolarHBondContact O-N 3Å; S85-K87 WeakPolarHBondContact OG-CB 3.34Å; S85-K87 PolarHBondContact OG-N 2.99Å; S85-G96 PolarHBondContact OG-O 3.37Å; S85-M97 WeakPolarHBondContact CB-O 3.49Å
86L73.5Confident77Confident122 Ų12262.1 Ų62.164%0.63934%0.341SS*.THydrogen-bonded Turntrans-73-11.2171.9-62.2176.9000112K88L86-K88 PolarHBondContact O-N 3.04Å
87K74Confident76.3Confident59 Ų5964 Ų6426%0.25735%0.35SS..THydrogen-bonded Turntrans-77-5.1178-55.2173.2176.7177.80112.9N37 D40 S85 C89 T92 A94 G96N37-K87 PolarHBondContact OD1-NZ 3.37Å; D40-K87 HydrophobicContact CB-CD 4.17Å; D40-K87 WeakPolarHBondContact OD2-CD 3.49Å; D40-K87 IonicContact OD2-NZ 3.95Å; D40-K87 PolarHBondContact OD2-NZ 3.01Å; S85-K87 PolarHBondContact O-N 3Å; S85-K87 WeakPolarHBondContact OG-CB 3.34Å; S85-K87 PolarHBondContact OG-N 2.99Å; K87-C89 PolarHBondContact O-N 2.91Å; K87-T92 PolarHBondContact O-OG1 3.31Å; K87-A94 HydrophobicContact CB-CB 4.06Å; K87-A94 HydrophobicContact CD-CB 4.37Å; K87-G96 WeakPolarHBondContact CD-O 3.45Å
88K60.2Low75.7Confident134 Ų13461.8 Ų61.858%0.58334%0.34SS*.  trans-70.469.4171.2-68.9-173.9-179-178.50110L86 M97L86-K88 PolarHBondContact O-N 3.04Å; K88-M97 WeakPolarHBondContact CE-O 3.48Å
89C52.4Low75.4Confident70 Ų7061 Ų6147%0.47334%0.339SS..  trans-119.1126.7167.2-169.50000107.3K87 D91 T92K87-C89 PolarHBondContact O-N 2.91Å; C89-D91 PolarHBondContact O-N 2.85Å; C89-T92 HydrophobicContact CB-CG2 4.37Å; C89-T92 PolarHBondContact O-N 3.39Å; C89-T92 VanDerWaalsContact O-N 3.1Å; C89-T92 PolarHBondContact O-OG1 3.03Å
90E53.5Low75.4Confident129 Ų12960.2 Ų60.260%0.60333%0.334SS*.THydrogen-bonded Turntrans-60.2-15.4-172-63.8177.9161.400113.9K367E90-K367 IonicContact OE1-NZ 3.67Å; E90-K367 WeakPolarHBondContact OE2-CE 3.34Å; E90-K367 IonicContact OE2-NZ 2.68Å; E90-K367 PolarHBondContact OE2-NZ 3.29Å
91D53.3Low75.5Confident94 Ų9458.2 Ų58.250%0.50333%0.327SS..THydrogen-bonded Turntrans-102.4-1.9-177-67.5-39.1000113.8C89 R366C89-D91 PolarHBondContact O-N 2.85Å; D91-R366 IonicContact OD2-CZ 3.09Å; D91-R366 IonicContact OD2-NE 3.21Å; D91-R366 PolarHBondContact OD2-NE 2.95Å; D91-R366 IonicContact OD2-NH2 2.66Å; D91-R366 PolarHBondContact OD2-NH2 3.34Å
92T58.9Low75.8Confident74 Ų7455.3 Ų55.345%0.45431%0.312SS..  trans-103.8123.8-179.951.70000111.4K87 C89 A94K87-T92 PolarHBondContact O-OG1 3.31Å; C89-T92 HydrophobicContact CB-CG2 4.37Å; C89-T92 PolarHBondContact O-N 3.39Å; C89-T92 VanDerWaalsContact O-N 3.1Å; C89-T92 PolarHBondContact O-OG1 3.03Å; T92-A94 PolarHBondContact O-N 3.38Å
93A72.1Confident76.3Confident85 Ų8553.8 Ų53.870%0.70231%0.305SS*.  trans-71.736.7172.300000113
94A84.6Confident76.8Confident14 Ų1451.8 Ų51.812%0.11628%0.284CS..  trans-75.4140.6179.700000110.2D40 K87 T92D40-A94 WeakPolarHBondContact OD1-CA 3.34Å; K87-A94 HydrophobicContact CB-CB 4.06Å; K87-A94 HydrophobicContact CD-CB 4.37Å; T92-A94 PolarHBondContact O-N 3.38Å
95I85.3Confident77.6Confident16 Ų1647.4 Ų47.48%0.08227%0.265CS..SBendtrans-82.6-36.7-177.7-59.5160.6000110.4D36 D40 M97 Y259 R400 K438D36-I95 HydrophobicContact CB-CB 4.38Å; D36-I95 HydrophobicContact CB-CG2 4.15Å; D36-I95 WeakPolarHBondContact OD2-CG2 3.26Å; D40-I95 PolarHBondContact OD1-N 3.22Å; D40-I95 PolarHBondContact OD2-N 3.47Å; I95-M97 PolarHBondContact O-N 2.85Å; I95-Y259 HydrophobicContact CD1-CD1 4.21Å; I95-Y259 HydrophobicContact CD1-CE1 3.54Å; I95-R400 HydrophobicContact CD1-CB 3.93Å; I95-R400 HydrophobicContact CG1-CB 4.08Å; I95-R400 HydrophobicContact CG2-CB 3.97Å; I95-R400 HydrophobicContact CG2-CG 4.01Å; I95-K438 HydrophobicContact CG2-CD 4.28Å
96G77.8Confident78.5Confident8 Ų846.3 Ų46.38%0.08226%0.258CS..  trans-78.271.7-174.900000115.1D40 S85 K87D40-G96 WeakPolarHBondContact OD2-CA 3.43Å; D40-G96 PolarHBondContact OD2-N 3.49Å; S85-G96 PolarHBondContact OG-O 3.37Å; K87-G96 WeakPolarHBondContact CD-O 3.45Å
97M79.4Confident79.6Confident40 Ų4040.5 Ų40.520%0.19723%0.227CC..  trans-90.4-25.8-177.9-63.6-177.16600114.5S85 K88 I95 Y429S85-M97 WeakPolarHBondContact CB-O 3.49Å; K88-M97 WeakPolarHBondContact CE-O 3.48Å; I95-M97 PolarHBondContact O-N 2.85Å; M97-Y429 HydrophobicContact CE-CD1 3.88Å; M97-Y429 HydrophobicContact CE-CD2 4.39Å; M97-Y429 HydrophobicContact CE-CE1 3.57Å; M97-Y429 HydrophobicContact CE-CE2 4.14Å; M97-Y429 HydrophobicContact CE-CG 4.27Å; M97-Y429 HydrophobicContact SD-CD1 4.1Å; M97-Y429 HydrophobicContact SD-CD2 3.59Å; M97-Y429 VanDerWaalsContact SD-CD2 3.59Å; M97-Y429 HydrophobicContact SD-CE1 4.06Å; M97-Y429 HydrophobicContact SD-CE2 3.57Å; M97-Y429 VanDerWaalsContact SD-CE2 3.57Å; M97-Y429 HydrophobicContact SD-CG 3.86Å
98Y80.5Confident80.7Confident57 Ų5739.6 Ų39.622%0.22422%0.222CC..SBendtrans-81.7-20.2-172.7-58.7-51.2000114.9G83 N100 P434G83-Y98 CarbonylContact C-O 3.55Å; G83-Y98 WeakPolarHBondContact CA-O 3.44Å; Y98-N100 PolarHBondContact O-N 2.9Å; Y98-P434 HydrophobicContact CE2-CG 4.08Å; Y98-P434 WeakPolarHBondContact OH-CD 3.43Å; Y98-P434 PolarHBondContact OH-O 2.78Å
99G83Confident82.5Confident16 Ų1633.4 Ų33.417%0.16520%0.196CC..SBendtrans70.717.6-175.400000113.7K84 K103K84-G99 WeakPolarHBondContact O-CA 3.38Å; G99-K103 WeakPolarHBondContact O-CE 3.45Å; G99-K103 PolarHBondContact O-NZ 3.22Å
100N91.3Very high84.6Confident10 Ų1030.1 Ų30.15%0.05317%0.173CC..  trans-118.1-25.3-175.9-164.244.4000115.7N20 F82 Y98 L102 K103 S104 H436N20-N100 PolarHBondContact ND2-ND2 3.22Å; N20-N100 PolarHBondContact ND2-OD1 3.47Å; N20-N100 PolarHBondContact OD1-ND2 2.95Å; F82-N100 WeakPolarHBondContact CD1-OD1 3.3Å; Y98-N100 PolarHBondContact O-N 2.9Å; N100-L102 PolarHBondContact O-N 3.22Å; N100-L102 VanDerWaalsContact O-N 3.12Å; N100-K103 VanDerWaalsContact CA-CE 3.49Å; N100-K103 WeakPolarHBondContact O-CE 3.47Å; N100-K103 PolarHBondContact O-N 2.83Å; N100-S104 PolarHBondContact O-N 3.47Å; N100-S104 PolarHBondContact O-OG 3.19Å; N100-H436 PolarHBondContact ND2-CE1 3.14Å; N100-H436 PolarHBondContact ND2-NE2 2.84Å
101G91Very high86.7Confident12 Ų1224.7 Ų24.712%0.12415%0.148CC..Hα-helixtrans-46.3-48.4-169.300000116.8E33 K103 S104 G105E33-G101 WeakPolarHBondContact CB-O 3.43Å; E33-G101 VanDerWaalsContact CD-CA 3.41Å; E33-G101 WeakPolarHBondContact OE2-CA 3.47Å; G101-K103 VanDerWaalsContact C-N 3.28Å; G101-K103 PolarHBondContact O-N 3.3Å; G101-S104 PolarHBondContact O-OG 2.94Å; G101-G105 WeakPolarHBondContact O-CA 3.47Å; G101-G105 PolarHBondContact O-N 3.41Å
102L94.2Very high88.8Confident18 Ų1820.2 Ų20.29%0.09412%0.124CC..Hα-helixtrans-59.2-40.1179.318065.9000112.2L34 V79 N100 S106 L113 L115 V200L34-L102 HydrophobicContact CG-CD1 4.16Å; V79-L102 HydrophobicContact CG1-CD2 3.53Å; N100-L102 PolarHBondContact O-N 3.22Å; N100-L102 VanDerWaalsContact O-N 3.12Å; L102-S106 WeakPolarHBondContact O-CB 3.46Å; L102-S106 PolarHBondContact O-N 3.29Å; L102-S106 PolarHBondContact O-OG 2.92Å; L102-L113 HydrophobicContact CD1-CD2 4.27Å; L102-L113 HydrophobicContact CD2-CD2 4.36Å; L102-L113 HydrophobicContact CG-CD2 4.22Å; L102-L115 HydrophobicContact CD2-CD1 4.04Å; L102-V200 HydrophobicContact CD1-CG1 4.13Å
103K94.2Very high90.7Very high14 Ų1416.8 Ų16.86%0.06110%0.103CC..Hα-helixtrans-78.6-47.1-172.6-64.9147-73.6-90.10111.1V79 F82 G99 N100 G101 M107V79-K103 PolarHBondContact O-NZ 3.12Å; F82-K103 HydrophobicContact CD1-CD 4.02Å; F82-K103 HydrophobicContact CD2-CD 4.14Å; F82-K103 HydrophobicContact CE1-CB 4.02Å; F82-K103 HydrophobicContact CE1-CD 3.78Å; F82-K103 HydrophobicContact CE1-CG 4.33Å; F82-K103 HydrophobicContact CE2-CD 3.88Å; F82-K103 HydrophobicContact CG-CD 4.21Å; F82-K103 HydrophobicContact CZ-CB 4.12Å; F82-K103 HydrophobicContact CZ-CD 3.69Å; F82-K103 HydrophobicContact CZ-CG 4.1Å; G99-K103 WeakPolarHBondContact O-CE 3.45Å; G99-K103 PolarHBondContact O-NZ 3.22Å; N100-K103 VanDerWaalsContact CA-CE 3.49Å; N100-K103 WeakPolarHBondContact O-CE 3.47Å; N100-K103 PolarHBondContact O-N 2.83Å; G101-K103 VanDerWaalsContact C-N 3.28Å; G101-K103 PolarHBondContact O-N 3.3Å; K103-M107 VanDerWaalsContact O-CB 3.28Å; K103-M107 WeakPolarHBondContact O-CB 3.49Å; K103-M107 WeakPolarHBondContact O-CG 3.47Å; K103-M107 PolarHBondContact O-N 3.02Å
104S95Very high91.9Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-64.6-43.3175.755.10000111.1N20 H24 N100 G101 R108N20-S104 PolarHBondContact ND2-N 3.33Å; N20-S104 VanDerWaalsContact O-CB 3.26Å; N20-S104 WeakPolarHBondContact O-CB 3.37Å; H24-S104 PolarHBondContact NE2-OG 3.4Å; N100-S104 PolarHBondContact O-N 3.47Å; N100-S104 PolarHBondContact O-OG 3.19Å; G101-S104 PolarHBondContact O-OG 2.94Å; S104-R108 WeakPolarHBondContact O-CB 3.41Å; S104-R108 PolarHBondContact O-N 2.92Å
105G96.5Very high92.6Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-67.4-49.8-179.700000113.2G101 M107 R108 I109G101-G105 WeakPolarHBondContact O-CA 3.47Å; G101-G105 PolarHBondContact O-N 3.41Å; G105-M107 PolarHBondContact O-N 3.02Å; G105-R108 PolarHBondContact O-N 2.98Å; G105-I109 WeakPolarHBondContact O-CD1 3.19Å; G105-I109 WeakPolarHBondContact O-CG1 3.48Å; G105-I109 PolarHBondContact O-N 3.39Å
106S97.1Very high93.2Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-64.8-43.3-177.467.40000112.6L102 R108 I109 G110L102-S106 WeakPolarHBondContact O-CB 3.46Å; L102-S106 PolarHBondContact O-N 3.29Å; L102-S106 PolarHBondContact O-OG 2.92Å; S106-R108 PolarHBondContact O-N 2.92Å; S106-I109 PolarHBondContact O-N 2.95Å; S106-G110 PolarHBondContact O-N 3.43Å; S106-G110 VanDerWaalsContact O-O 3.14Å
107M96.9Very high94.1Very high1 Ų111 Ų111%0.0056%0.057CC..Hα-helixtrans-72-17.9-179.6-61.6-67.392.200113.2L17 K103 G105 G110 L113 L128 R130 K206L17-M107 HydrophobicContact CB-CG 4.24Å; L17-M107 HydrophobicContact CB-SD 4.31Å; L17-M107 HydrophobicContact CD1-SD 4.43Å; K103-M107 VanDerWaalsContact O-CB 3.28Å; K103-M107 WeakPolarHBondContact O-CB 3.49Å; K103-M107 WeakPolarHBondContact O-CG 3.47Å; K103-M107 PolarHBondContact O-N 3.02Å; G105-M107 PolarHBondContact O-N 3.02Å; M107-G110 CarbonylContact C-O 3.48Å; M107-G110 WeakPolarHBondContact CA-O 3.49Å; M107-L113 HydrophobicContact CE-CB 4.11Å; M107-L128 HydrophobicContact CE-CD2 4.33Å; M107-L128 HydrophobicContact SD-CD2 4.27Å; M107-L128 HydrophobicContact SD-CG 4.49Å; M107-R130 HydrophobicContact SD-CG 4.13Å; M107-K206 WeakPolarHBondContact O-CE 3.4Å
108R97.4Very high95Very high40 Ų4010.4 Ų10.415%0.1515%0.053CC..Hα-helixtrans-74.7-40169.9174.163.7-173.985.2-5.6111.4H24 L27 A30 S104 G105 S106 K206 E214H24-R108 HydrophobicContact CB-CB 4.2Å; H24-R108 HydrophobicContact CB-CG 3.74Å; H24-R108 VanDerWaalsContact O-CD 3.3Å; H24-R108 WeakPolarHBondContact O-CD 3.31Å; H24-R108 PolarHBondContact O-NE 3.01Å; L27-R108 HydrophobicContact CD1-CG 3.98Å; A30-R108 HydrophobicContact CB-CB 3.96Å; A30-R108 HydrophobicContact CB-CG 3.92Å; S104-R108 WeakPolarHBondContact O-CB 3.41Å; S104-R108 PolarHBondContact O-N 2.92Å; G105-R108 PolarHBondContact O-N 2.98Å; S106-R108 PolarHBondContact O-N 2.92Å; R108-K206 WeakPolarHBondContact O-CG 3.37Å; R108-E214 IonicContact CZ-OE1 2.64Å; R108-E214 IonicContact CZ-OE2 3.37Å; R108-E214 IonicContact NH1-OE1 3.67Å; R108-E214 PolarHBondContact NH1-OE1 3.3Å; R108-E214 IonicContact NH1-OE2 3.14Å; R108-E214 PolarHBondContact NH1-OE2 3.43Å; R108-E214 IonicContact NH2-OE1 3.61Å; R108-E214 PolarHBondContact NH2-OE1 3.45Å; R108-E214 IonicContact NH2-OE2 3.83Å
109I97.7Very high95.7Very high4 Ų410 Ų102%0.0215%0.053CC..Hα-helixtrans-78.6-43.1-174.5-63.6160.2000111.4L27 A30 I31 L34 L62 G105 S106 I202 M205 K206 L215L27-I109 HydrophobicContact CD1-CG1 3.92Å; A30-I109 HydrophobicContact CB-CD1 4.29Å; A30-I109 HydrophobicContact CB-CG1 4.13Å; I31-I109 HydrophobicContact CG1-CD1 3.67Å; I31-I109 HydrophobicContact CG1-CG1 4.24Å; L34-I109 HydrophobicContact CD1-CD1 4.45Å; L62-I109 HydrophobicContact CD2-CG2 3.89Å; G105-I109 WeakPolarHBondContact O-CD1 3.19Å; G105-I109 WeakPolarHBondContact O-CG1 3.48Å; G105-I109 PolarHBondContact O-N 3.39Å; S106-I109 PolarHBondContact O-N 2.95Å; I109-I202 HydrophobicContact CB-CD1 4.21Å; I109-I202 HydrophobicContact CB-CG2 4.24Å; I109-I202 HydrophobicContact CD1-CD1 3.8Å; I109-I202 HydrophobicContact CG2-CD1 4.34Å; I109-I202 HydrophobicContact CG2-CG2 4.06Å; I109-M205 HydrophobicContact CG2-CE 4.44Å; I109-M205 HydrophobicContact CG2-SD 3.97Å; I109-K206 PolarHBondContact O-N 3.29Å; I109-K206 VanDerWaalsContact O-N 3.15Å; I109-L215 HydrophobicContact CG2-CD1 4.25Å
110G97.4Very high96.1Very high0 Ų015.7 Ų15.70%08%0.079CC..EExtended strand (participates in β ladder)trans-148.5171.8-179.200000111.9S106 M107 N204S106-G110 PolarHBondContact O-N 3.43Å; S106-G110 VanDerWaalsContact O-O 3.14Å; M107-G110 CarbonylContact C-O 3.48Å; M107-G110 WeakPolarHBondContact CA-O 3.49Å; G110-N204 CarbonylContact C-O 3.48Å; G110-N204 WeakPolarHBondContact CA-O 3.46Å
111N97.1Very high96.2Very high15 Ų1516.6 Ų16.68%0.089%0.091CC..EExtended strand (participates in β ladder)trans-79-24.6-179.9-74.5-6000112.6R130 Y203 N204 K206N111-R130 HydrophobicContact CB-CB 4.41Å; N111-R130 WeakPolarHBondContact O-CB 3.49Å; N111-R130 WeakPolarHBondContact O-CG 3.45Å; N111-R130 PolarHBondContact O-N 2.68Å; N111-Y203 PolarHBondContact N-O 3.16Å; N111-N204 HydrophobicContact CB-CB 4.04Å; N111-N204 PolarHBondContact N-O 3.32Å; N111-K206 PolarHBondContact OD1-NZ 3.46Å
112D98.1Very high96.4Very high0 Ų017.6 Ų17.60%09%0.094CC..EExtended strand (participates in β ladder)trans-136.9146.6-169.7-52-67.1000112.4S129 R130 T131 I202 Y203 N204D112-S129 WeakPolarHBondContact OD1-CA 3.29Å; D112-S129 WeakPolarHBondContact OD1-CB 3.48Å; D112-S129 PolarHBondContact OD1-OG 2.94Å; D112-R130 PolarHBondContact OD1-N 3.43Å; D112-T131 PolarHBondContact OD1-N 3.11Å; D112-T131 PolarHBondContact OD2-OG1 2.75Å; D112-T131 VanDerWaalsContact OD2-OG1 3.08Å; D112-I202 WeakPolarHBondContact O-CA 3.28Å; D112-Y203 HydrophobicContact CB-CD1 3.88Å; D112-Y203 HydrophobicContact CB-CD2 4.16Å; D112-Y203 HydrophobicContact CB-CE1 3.33Å; D112-Y203 HydrophobicContact CB-CE2 3.67Å; D112-Y203 HydrophobicContact CB-CG 4.25Å; D112-Y203 WeakPolarHBondContact CB-OH 3.49Å; D112-Y203 PolarHBondContact N-O 3.28Å; D112-Y203 PolarHBondContact O-N 3.09Å; D112-N204 WeakPolarHBondContact OD2-CB 3.44Å; D112-N204 PolarHBondContact OD2-ND2 3.11Å
113L97.7Very high96.5Very high2 Ų217.7 Ų17.71%0.019%0.093CC..EExtended strand (participates in β ladder)trans-134.3129.6-177.716765.1000110.4L102 M107 F127 L128 V200 I201 I202L102-L113 HydrophobicContact CD1-CD2 4.27Å; L102-L113 HydrophobicContact CD2-CD2 4.36Å; L102-L113 HydrophobicContact CG-CD2 4.22Å; M107-L113 HydrophobicContact CE-CB 4.11Å; L113-F127 WeakPolarHBondContact O-CD2 3.3Å; L113-L128 HydrophobicContact CB-CB 4.46Å; L113-L128 PolarHBondContact N-O 3.01Å; L113-L128 PolarHBondContact O-N 3.43Å; L113-V200 HydrophobicContact CD1-CB 4.45Å; L113-V200 HydrophobicContact CD1-CG1 3.23Å; L113-I201 WeakPolarHBondContact CA-O 3.39Å; L113-I202 HydrophobicContact CD1-CG1 3.99Å
114V98Very high96.7Very high0 Ų017.1 Ų17.10%09%0.09CC..EExtended strand (participates in β ladder)trans-115.7131.5163.1-159.80000109.2F116 F127 F179 I201 Y203V114-F116 HydrophobicContact CB-CE2 3.98Å; V114-F116 HydrophobicContact CG1-CD2 4.17Å; V114-F116 HydrophobicContact CG1-CE2 3.39Å; V114-F116 HydrophobicContact CG1-CZ 3.63Å; V114-F127 HydrophobicContact CB-CD2 4.45Å; V114-F127 HydrophobicContact CG1-CD2 4.47Å; V114-F127 HydrophobicContact CG2-CD2 3.77Å; V114-F127 HydrophobicContact CG2-CE2 3.93Å; V114-F179 HydrophobicContact CB-CE2 4.41Å; V114-F179 HydrophobicContact CG1-CE2 4.49Å; V114-F179 HydrophobicContact CG2-CE2 4.22Å; V114-I201 PolarHBondContact N-O 2.96Å; V114-I201 PolarHBondContact O-N 2.66Å; V114-Y203 HydrophobicContact CG2-CD1 4.39Å; V114-Y203 HydrophobicContact CG2-CE1 3.73Å
115L98.3Very high96.8Very high3 Ų317.1 Ų17.12%0.0169%0.09CC..EExtended strand (participates in β ladder)trans-119.8131176.9-179.7156000109.5M71 L102 T117 C125 L126 T198 V199 V200M71-L115 HydrophobicContact CE-CD1 3.94Å; M71-L115 HydrophobicContact CE-CD2 3.71Å; M71-L115 HydrophobicContact CE-CG 4.42Å; L102-L115 HydrophobicContact CD2-CD1 4.04Å; L115-T117 HydrophobicContact CD2-CG2 4.09Å; L115-C125 CarbonylContact O-C 3.59Å; L115-C125 WeakPolarHBondContact O-CA 3.39Å; L115-L126 HydrophobicContact CB-CB 4.24Å; L115-L126 HydrophobicContact CB-CD2 4.46Å; L115-L126 HydrophobicContact CD2-CB 4.48Å; L115-L126 PolarHBondContact N-O 3.47Å; L115-L126 PolarHBondContact O-N 3.36Å; L115-T198 HydrophobicContact CD1-CG2 4.04Å; L115-T198 HydrophobicContact CD2-CG2 3.95Å; L115-T198 HydrophobicContact CG-CG2 3.82Å; L115-V199 CarbonylContact C-O 3.53Å; L115-V199 WeakPolarHBondContact CA-O 3.34Å; L115-V200 HydrophobicContact CD1-CG2 3.98Å; L115-V200 HydrophobicContact CG-CG2 4.23Å
116F98.2Very high96.9Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans-116.9127.8173.7-61.8-94.2000108.4V114 C125 F179 F185 Q188 F189 T198 V199 I201V114-F116 HydrophobicContact CB-CE2 3.98Å; V114-F116 HydrophobicContact CG1-CD2 4.17Å; V114-F116 HydrophobicContact CG1-CE2 3.39Å; V114-F116 HydrophobicContact CG1-CZ 3.63Å; F116-C125 HydrophobicContact CD1-CB 4.48Å; F116-F179 HydrophobicContact CE2-CD2 4.35Å; F116-F179 AromaticContact CE2-CE2 3.78Å; F116-F179 HydrophobicContact CE2-CE2 3.78Å; F116-F179 HydrophobicContact CE2-CZ 4.43Å; F116-F179 AromaticContact CZ-CD2 3.95Å; F116-F179 HydrophobicContact CZ-CD2 3.95Å; F116-F179 AromaticContact CZ-CE2 3.86Å; F116-F179 HydrophobicContact CZ-CE2 3.86Å; F116-F185 HydrophobicContact CD1-CE2 4.48Å; F116-F185 AromaticContact CE1-CD2 3.68Å; F116-F185 HydrophobicContact CE1-CD2 3.68Å; F116-F185 HydrophobicContact CE1-CE1 4.49Å; F116-F185 AromaticContact CE1-CE2 3.42Å; F116-F185 HydrophobicContact CE1-CE2 3.42Å; F116-F185 VanDerWaalsContact CE1-CE2 3.42Å; F116-F185 HydrophobicContact CE1-CG 4.32Å; F116-F185 AromaticContact CE1-CZ 3.89Å; F116-F185 HydrophobicContact CE1-CZ 3.89Å; F116-F185 AromaticContact CZ-CD2 3.92Å; F116-F185 HydrophobicContact CZ-CD2 3.92Å; F116-F185 AromaticContact CZ-CE2 3.91Å; F116-F185 HydrophobicContact CZ-CE2 3.91Å; F116-Q188 HydrophobicContact CD1-CB 3.81Å; F116-Q188 HydrophobicContact CD2-CB 3.71Å; F116-Q188 HydrophobicContact CD2-CG 4.25Å; F116-Q188 HydrophobicContact CE1-CB 3.74Å; F116-Q188 HydrophobicContact CE1-CG 4.12Å; F116-Q188 HydrophobicContact CE2-CB 3.65Å; F116-Q188 HydrophobicContact CE2-CG 3.69Å; F116-Q188 HydrophobicContact CG-CB 3.8Å; F116-Q188 HydrophobicContact CZ-CB 3.67Å; F116-Q188 HydrophobicContact CZ-CG 3.62Å; F116-F189 HydrophobicContact CB-CD1 3.88Å; F116-F189 HydrophobicContact CB-CE1 3.77Å; F116-F189 HydrophobicContact CB-CZ 4.49Å; F116-F189 HydrophobicContact CD1-CD1 4.06Å; F116-F189 HydrophobicContact CD1-CD2 4.14Å; F116-F189 AromaticContact CD1-CE1 3.8Å; F116-F189 HydrophobicContact CD1-CE1 3.8Å; F116-F189 AromaticContact CD1-CE2 3.89Å; F116-F189 HydrophobicContact CD1-CE2 3.89Å; F116-F189 HydrophobicContact CD1-CG 4.23Å; F116-F189 AromaticContact CD1-CZ 3.72Å; F116-F189 HydrophobicContact CD1-CZ 3.72Å; F116-F189 HydrophobicContact CE1-CE2 4.41Å; F116-F189 HydrophobicContact CG-CD1 4.47Å; F116-F189 HydrophobicContact CG-CE1 4.3Å; F116-T198 CarbonylContact O-C 3.42Å; F116-T198 WeakPolarHBondContact O-CA 3.45Å; F116-V199 HydrophobicContact CB-CB 4.39Å; F116-V199 PolarHBondContact N-O 3.13Å; F116-V199 PolarHBondContact O-N 3.21Å; F116-I201 HydrophobicContact CD2-CD1 4.27Å; F116-I201 HydrophobicContact CE2-CD1 4.03Å
117T97.9Very high97Very high0 Ų017.3 Ų17.30%09%0.091CC..EExtended strand (participates in β ladder)trans-136.6151.2178.9-167.70000111.4G70 M71 V76 L115 Y123 T124 G197 T198G70-T117 WeakPolarHBondContact CA-OG1 3.37Å; M71-T117 HydrophobicContact CB-CG2 3.83Å; M71-T117 HydrophobicContact CE-CG2 4.16Å; M71-T117 PolarHBondContact N-OG1 2.92Å; V76-T117 HydrophobicContact CG2-CG2 3.65Å; L115-T117 HydrophobicContact CD2-CG2 4.09Å; T117-Y123 WeakPolarHBondContact O-CA 3.32Å; T117-T124 PolarHBondContact N-O 3.36Å; T117-T124 PolarHBondContact O-N 2.97Å; T117-G197 WeakPolarHBondContact CA-O 3.12Å; T117-G197 PolarHBondContact OG1-O 2.71Å; T117-T198 PolarHBondContact OG1-OG1 3.49Å; T117-T198 VanDerWaalsContact OG1-OG1 3.11Å
118K96.4Very high96.9Very high26 Ų2617.6 Ų17.611%0.1139%0.093CC..EExtended strand (participates in β ladder)trans-132.3130.3179.6-178.3-171.4177.6-174.70109.5G70 I122 Y123 L192 E194 N195 S196 G197G70-K118 WeakPolarHBondContact CA-O 3.45Å; K118-I122 WeakPolarHBondContact CA-O 3.36Å; K118-Y123 HydrophobicContact CB-CD1 4.19Å; K118-Y123 HydrophobicContact CB-CE1 4.38Å; K118-Y123 HydrophobicContact CD-CD1 4.27Å; K118-Y123 HydrophobicContact CD-CE1 3.63Å; K118-Y123 WeakPolarHBondContact CE-OH 3.38Å; K118-Y123 HydrophobicContact CG-CD1 4.01Å; K118-Y123 HydrophobicContact CG-CE1 3.84Å; K118-L192 HydrophobicContact CB-CD1 3.73Å; K118-E194 PolarHBondContact NZ-O 3.29Å; K118-N195 WeakPolarHBondContact CE-O 3.27Å; K118-S196 WeakPolarHBondContact O-CA 3.42Å; K118-S196 WeakPolarHBondContact O-CB 3.43Å; K118-G197 PolarHBondContact N-O 3.03Å; K118-G197 PolarHBondContact O-N 3.05Å; K118-G197 VanDerWaalsContact O-N 3.14Å
119K95.3Very high96.9Very high49 Ų4915.7 Ų15.721%0.2139%0.086CC..EExtended strand (participates in β ladder)trans-152.3132.7173.1-178.7170170.9-176.10110.2C69 T72 D75 G121 I122C69-K119 WeakPolarHBondContact O-CD 3.14Å; T72-K119 HydrophobicContact CG2-CD 3.76Å; T72-K119 HydrophobicContact CG2-CG 4.29Å; D75-K119 IonicContact OD2-NZ 2.87Å; D75-K119 PolarHBondContact OD2-NZ 3.04Å; D75-K119 VanDerWaalsContact OD2-NZ 3.12Å; K119-G121 PolarHBondContact O-N 3.05Å; K119-G121 VanDerWaalsContact O-N 3.1Å; K119-I122 PolarHBondContact N-O 3.44Å; K119-I122 WeakPolarHBondContact O-CB 3.37Å; K119-I122 PolarHBondContact O-N 3.18Å
120D93Very high96.8Very high135 Ų13516.8 Ų16.872%0.7229%0.09SC*.THydrogen-bonded Turntrans51.636.2176.9-55.6-38.6000114.1I122D120-I122 VanDerWaalsContact C-N 3.25Å; D120-I122 PolarHBondContact O-N 3.41Å
121G92.3Very high96.7Very high30 Ų3018.1 Ų18.131%0.30910%0.097SC..THydrogen-bonded Turntrans75.67.5-179.100000115.2K119 G150K119-G121 PolarHBondContact O-N 3.05Å; K119-G121 VanDerWaalsContact O-N 3.1Å; G121-G150 PolarHBondContact O-N 3.05Å
122I95.8Very high96.7Very high33 Ų3317.8 Ų17.817%0.16910%0.095CC..EExtended strand (participates in β ladder)trans-100.6134.3171.6-58.4174.3000108.5P73 K118 K119 D120 F148 I156P73-I122 HydrophobicContact CG-CG2 3.71Å; K118-I122 WeakPolarHBondContact CA-O 3.36Å; K119-I122 PolarHBondContact N-O 3.44Å; K119-I122 WeakPolarHBondContact O-CB 3.37Å; K119-I122 PolarHBondContact O-N 3.18Å; D120-I122 VanDerWaalsContact C-N 3.25Å; D120-I122 PolarHBondContact O-N 3.41Å; I122-F148 WeakPolarHBondContact CA-O 3.42Å; I122-I156 HydrophobicContact CG1-CD1 4.43Å; I122-I156 HydrophobicContact CG2-CD1 3.77Å
123Y96.8Very high96.6Very high20 Ų2017.8 Ų17.88%0.07810%0.096CC..EExtended strand (participates in β ladder)trans-113.9129.2179.1-59.2-101.8000108.1T117 K118 S147 F148 G150 F189T117-Y123 WeakPolarHBondContact O-CA 3.32Å; K118-Y123 HydrophobicContact CB-CD1 4.19Å; K118-Y123 HydrophobicContact CB-CE1 4.38Å; K118-Y123 HydrophobicContact CD-CD1 4.27Å; K118-Y123 HydrophobicContact CD-CE1 3.63Å; K118-Y123 WeakPolarHBondContact CE-OH 3.38Å; K118-Y123 HydrophobicContact CG-CD1 4.01Å; K118-Y123 HydrophobicContact CG-CE1 3.84Å; Y123-S147 CarbonylContact O-C 3.56Å; Y123-S147 VanDerWaalsContact O-CA 3.29Å; Y123-S147 WeakPolarHBondContact O-CA 3.43Å; Y123-F148 PolarHBondContact N-O 3.46Å; Y123-F148 PolarHBondContact O-N 2.7Å; Y123-G150 VanDerWaalsContact CE2-O 3.22Å; Y123-G150 WeakPolarHBondContact CE2-O 3.4Å; Y123-F189 HydrophobicContact CD1-CB 3.8Å; Y123-F189 AromaticContact CD1-CD1 3.65Å; Y123-F189 HydrophobicContact CD1-CD1 3.65Å; Y123-F189 HydrophobicContact CD1-CD2 4.41Å; Y123-F189 HydrophobicContact CD1-CE1 4.28Å; Y123-F189 AromaticContact CD1-CG 3.71Å; Y123-F189 HydrophobicContact CD1-CG 3.71Å; Y123-F189 HydrophobicContact CE1-CB 4.15Å; Y123-F189 HydrophobicContact CG-CD1 4.31Å; Y123-F189 HydrophobicContact CG-CG 4.43Å
124T97.5Very high96.5Very high1 Ų121.6 Ų21.61%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-131.6135.4179.4-60.40000109.7V76 T117 S147 F189V76-T124 HydrophobicContact CB-CG2 3.95Å; V76-T124 HydrophobicContact CG1-CG2 3.88Å; V76-T124 HydrophobicContact CG2-CG2 3.75Å; T117-T124 PolarHBondContact N-O 3.36Å; T117-T124 PolarHBondContact O-N 2.97Å; T124-S147 WeakPolarHBondContact CG2-OG 3.36Å; T124-S147 PolarHBondContact OG1-OG 3.46Å; T124-F189 WeakPolarHBondContact O-CE1 3.34Å
125C98.2Very high96.4Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-100.9146.2168.3-177.30000108.9L115 F116 M145 P146 F185 F189L115-C125 CarbonylContact O-C 3.59Å; L115-C125 WeakPolarHBondContact O-CA 3.39Å; F116-C125 HydrophobicContact CD1-CB 4.48Å; C125-M145 CarbonylContact O-C 3.52Å; C125-M145 WeakPolarHBondContact O-CA 3.32Å; C125-P146 HydrophobicContact CB-CG 4.02Å; C125-P146 PolarHBondContact N-O 2.94Å; C125-F185 HydrophobicContact CB-CE2 4.08Å; C125-F185 HydrophobicContact CB-CZ 3.78Å; C125-F189 HydrophobicContact CB-CZ 4.31Å
126L98.2Very high96.3Very high3 Ų331.4 Ų31.42%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-127.4130165.6172.4159.9000107.7V76 V79 I80 L115 L128 V143 M145V76-L126 HydrophobicContact CG1-CB 3.72Å; V76-L126 HydrophobicContact CG1-CD1 3.65Å; V76-L126 HydrophobicContact CG1-CG 4.27Å; V79-L126 HydrophobicContact CB-CD1 4.05Å; V79-L126 HydrophobicContact CG1-CD1 4.04Å; I80-L126 HydrophobicContact CG2-CD1 3.73Å; I80-L126 HydrophobicContact CG2-CG 4.45Å; L115-L126 HydrophobicContact CB-CB 4.24Å; L115-L126 HydrophobicContact CB-CD2 4.46Å; L115-L126 HydrophobicContact CD2-CB 4.48Å; L115-L126 PolarHBondContact N-O 3.47Å; L115-L126 PolarHBondContact O-N 3.36Å; L126-L128 HydrophobicContact CD2-CB 4.22Å; L126-V143 HydrophobicContact CD1-CG1 4.5Å; L126-V143 HydrophobicContact CD2-CG1 4.12Å; L126-V143 HydrophobicContact CG-CG1 3.8Å; L126-M145 HydrophobicContact CB-CG 4.34Å; L126-M145 HydrophobicContact CD1-SD 4.44Å; L126-M145 HydrophobicContact CG-CG 4.32Å
127F98Very high96.1Very high1 Ų140.3 Ų40.30%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-123.5109.8-177.9-177.2-138.7000111.7L113 V114 S129 V143 P144 I173 Y203L113-F127 WeakPolarHBondContact O-CD2 3.3Å; V114-F127 HydrophobicContact CB-CD2 4.45Å; V114-F127 HydrophobicContact CG1-CD2 4.47Å; V114-F127 HydrophobicContact CG2-CD2 3.77Å; V114-F127 HydrophobicContact CG2-CE2 3.93Å; F127-S129 VanDerWaalsContact CE2-CB 3.5Å; F127-V143 WeakPolarHBondContact O-CG1 2.92Å; F127-P144 HydrophobicContact CB-CB 4.27Å; F127-P144 HydrophobicContact CD1-CG 4.15Å; F127-P144 PolarHBondContact N-O 3Å; F127-P144 VanDerWaalsContact O-CD 3.31Å; F127-P144 WeakPolarHBondContact O-CD 3.47Å; F127-I173 HydrophobicContact CB-CD1 4.22Å; F127-I173 HydrophobicContact CB-CG1 3.77Å; F127-I173 HydrophobicContact CD1-CB 4.36Å; F127-I173 HydrophobicContact CD1-CG1 3.59Å; F127-I173 HydrophobicContact CE1-CG1 4.44Å; F127-I173 HydrophobicContact CG-CG1 3.88Å; F127-Y203 HydrophobicContact CE2-CE1 4.37Å; F127-Y203 VanDerWaalsContact CE2-OH 3.24Å; F127-Y203 WeakPolarHBondContact CE2-OH 3.41Å; F127-Y203 WeakPolarHBondContact CZ-OH 3.45Å
128L96.5Very high95.9Very high8 Ų842.9 Ų42.94%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-115.4101.3178.2179.466.3000108.5L17 M107 L113 L126 V141 V143L17-L128 HydrophobicContact CD1-CD1 3.96Å; L17-L128 HydrophobicContact CD2-CD1 4.41Å; L17-L128 HydrophobicContact CD2-CD2 4.46Å; M107-L128 HydrophobicContact CE-CD2 4.33Å; M107-L128 HydrophobicContact SD-CD2 4.27Å; M107-L128 HydrophobicContact SD-CG 4.49Å; L113-L128 HydrophobicContact CB-CB 4.46Å; L113-L128 PolarHBondContact N-O 3.01Å; L113-L128 PolarHBondContact O-N 3.43Å; L126-L128 HydrophobicContact CD2-CB 4.22Å; L128-V141 HydrophobicContact CD1-CG1 3.9Å; L128-V143 HydrophobicContact CD1-CG2 3.9Å
129S96.4Very high95.6Very high0 Ų046.6 Ų46.60%023%0.232CC..EExtended strand (participates in β ladder)trans-125.7114.2-174.21680000111.7D112 F127 T131 F132 H133D112-S129 WeakPolarHBondContact OD1-CA 3.29Å; D112-S129 WeakPolarHBondContact OD1-CB 3.48Å; D112-S129 PolarHBondContact OD1-OG 2.94Å; F127-S129 VanDerWaalsContact CE2-CB 3.5Å; S129-T131 VanDerWaalsContact C-N 3.28Å; S129-T131 PolarHBondContact O-N 3.28Å; S129-T131 PolarHBondContact OG-N 2.7Å; S129-F132 PolarHBondContact O-N 3.3Å; S129-F132 PolarHBondContact OG-N 3.26Å; S129-H133 PolarHBondContact O-N 3.04Å; S129-H133 PolarHBondContact O-ND1 2.96Å
130R95.4Very high95.4Very high27 Ų2749.8 Ų49.810%0.10225%0.248CC..Hα-helixtrans-63.7-36.3170.6-75.5-17255177-3.8112L17 H18 M107 N111 D112 F132 H133 E134L17-R130 HydrophobicContact CD1-CG 4.1Å; H18-R130 VanDerWaalsContact CB-NH1 3.35Å; M107-R130 HydrophobicContact SD-CG 4.13Å; N111-R130 HydrophobicContact CB-CB 4.41Å; N111-R130 WeakPolarHBondContact O-CB 3.49Å; N111-R130 WeakPolarHBondContact O-CG 3.45Å; N111-R130 PolarHBondContact O-N 2.68Å; D112-R130 PolarHBondContact OD1-N 3.43Å; R130-F132 VanDerWaalsContact C-N 3.29Å; R130-F132 PolarHBondContact O-N 2.87Å; R130-H133 PolarHBondContact O-N 2.94Å; R130-E134 IonicContact CZ-OE1 3.77Å; R130-E134 IonicContact NE-OE1 3.94Å; R130-E134 PolarHBondContact NE-OE1 3.25Å; R130-E134 IonicContact NH2-OE1 3.48Å; R130-E134 PolarHBondContact NH2-OE1 2.94Å; R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.4Å
131T95.9Very high95.4Very high27 Ų2745.2 Ų45.217%0.16623%0.225CC..Hα-helixtrans-58.2-42.9177.5-66.20000111.7D112 S129 H133 E134 E135D112-T131 PolarHBondContact OD1-N 3.11Å; D112-T131 PolarHBondContact OD2-OG1 2.75Å; D112-T131 VanDerWaalsContact OD2-OG1 3.08Å; S129-T131 VanDerWaalsContact C-N 3.28Å; S129-T131 PolarHBondContact O-N 3.28Å; S129-T131 PolarHBondContact OG-N 2.7Å; T131-H133 PolarHBondContact O-N 3.1Å; T131-E134 PolarHBondContact O-N 2.74Å; T131-E135 HydrophobicContact CG2-CG 4.41Å; T131-E135 VanDerWaalsContact CG2-OE1 3.32Å; T131-E135 WeakPolarHBondContact CG2-OE1 3.36Å; T131-E135 WeakPolarHBondContact O-CB 3.44Å; T131-E135 WeakPolarHBondContact O-CG 3.17Å; T131-E135 PolarHBondContact O-N 2.98Å
132F96.4Very high95.5Very high8 Ų846.5 Ų46.54%0.03523%0.226CC..Hα-helixtrans-58.5-44.9173.1158.1-121.1000112.5S129 R130 E136 L138 V142 L172 Y176S129-F132 PolarHBondContact O-N 3.3Å; S129-F132 PolarHBondContact OG-N 3.26Å; R130-F132 VanDerWaalsContact C-N 3.29Å; R130-F132 PolarHBondContact O-N 2.87Å; F132-E136 HydrophobicContact CD2-CB 4.38Å; F132-E136 HydrophobicContact CD2-CG 3.76Å; F132-E136 HydrophobicContact CE2-CB 4.21Å; F132-E136 HydrophobicContact CE2-CG 3.74Å; F132-E136 WeakPolarHBondContact O-CB 3.39Å; F132-E136 PolarHBondContact O-N 2.8Å; F132-L138 HydrophobicContact CE1-CD1 3.73Å; F132-L138 HydrophobicContact CE2-CD1 3.86Å; F132-L138 HydrophobicContact CZ-CD1 3.35Å; F132-V142 HydrophobicContact CE1-CB 3.99Å; F132-V142 HydrophobicContact CE1-CG1 4.08Å; F132-V142 HydrophobicContact CZ-CB 4.43Å; F132-V142 HydrophobicContact CZ-CG1 4.26Å; F132-L172 HydrophobicContact CD2-CD2 4.15Å; F132-L172 HydrophobicContact CE2-CD1 4.16Å; F132-L172 HydrophobicContact CE2-CD2 3.56Å; F132-L172 HydrophobicContact CE2-CG 4.42Å; F132-L172 HydrophobicContact CZ-CD1 3.89Å; F132-L172 HydrophobicContact CZ-CD2 4.17Å; F132-Y176 HydrophobicContact CB-CD1 4.23Å; F132-Y176 HydrophobicContact CB-CD2 4.05Å; F132-Y176 HydrophobicContact CB-CE2 4.49Å; F132-Y176 HydrophobicContact CB-CG 3.91Å; F132-Y176 AromaticContact CD2-CD2 3.74Å; F132-Y176 HydrophobicContact CD2-CD2 3.74Å; F132-Y176 AromaticContact CD2-CE2 3.59Å; F132-Y176 HydrophobicContact CD2-CE2 3.59Å; F132-Y176 HydrophobicContact CD2-CG 4.44Å; F132-Y176 HydrophobicContact CE2-CE2 4.35Å; F132-Y176 HydrophobicContact CG-CD2 4.22Å; F132-Y176 HydrophobicContact CG-CE2 4.46Å
133H96.6Very high95.5Very high1 Ų145.6 Ų45.61%0.00522%0.223CC..Hα-helixtrans-66.8-42179.8-67.574.2000112.1Y14 S129 R130 T131 K137 L138 E140 V141 V142Y14-H133 HydrophobicContact CD2-CB 4.04Å; Y14-H133 HydrophobicContact CG-CB 4.23Å; S129-H133 PolarHBondContact O-N 3.04Å; S129-H133 PolarHBondContact O-ND1 2.96Å; R130-H133 PolarHBondContact O-N 2.94Å; T131-H133 PolarHBondContact O-N 3.1Å; H133-K137 CarbonylContact O-C 3.44Å; H133-K137 VanDerWaalsContact O-CA 3.32Å; H133-K137 WeakPolarHBondContact O-CA 3.4Å; H133-K137 PolarHBondContact O-N 2.92Å; H133-L138 HydrophobicContact CB-CB 4.37Å; H133-L138 PolarHBondContact O-N 3.4Å; H133-E140 PolarHBondContact CD2-O 3.15Å; H133-E140 PolarHBondContact NE2-O 3.08Å; H133-V141 WeakPolarHBondContact NE2-CA 3.11Å; H133-V142 PolarHBondContact CE1-O 3.19Å; H133-V142 PolarHBondContact NE2-N 2.78Å; H133-V142 PolarHBondContact NE2-O 3.37Å
134E95.2Very high95.5Very high82 Ų8244.8 Ų44.838%0.38322%0.22SC..Hα-helixtrans-65.6-44.9179.4-72.6169.4-169.500111.2Y14 R130 T131 K137Y14-E134 HydrophobicContact CE2-CG 3.98Å; R130-E134 IonicContact CZ-OE1 3.77Å; R130-E134 IonicContact NE-OE1 3.94Å; R130-E134 PolarHBondContact NE-OE1 3.25Å; R130-E134 IonicContact NH2-OE1 3.48Å; R130-E134 PolarHBondContact NH2-OE1 2.94Å; R130-E134 WeakPolarHBondContact O-CB 3.48Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 3.4Å; T131-E134 PolarHBondContact O-N 2.74Å; E134-K137 PolarHBondContact O-N 3.43Å
135E96Very high95.5Very high124 Ų12446.3 Ų46.358%0.57923%0.227SC*.Hα-helixtrans-70.3-39.2180-74.5-170.1-142.700113.2T131 K137 Y176T131-E135 HydrophobicContact CG2-CG 4.41Å; T131-E135 VanDerWaalsContact CG2-OE1 3.32Å; T131-E135 WeakPolarHBondContact CG2-OE1 3.36Å; T131-E135 WeakPolarHBondContact O-CB 3.44Å; T131-E135 WeakPolarHBondContact O-CG 3.17Å; T131-E135 PolarHBondContact O-N 2.98Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-Y176 HydrophobicContact CB-CE1 4.05Å; E135-Y176 HydrophobicContact CG-CE1 4.4Å; E135-Y176 WeakPolarHBondContact OE2-CE1 3.29Å
136E95.6Very high95.5Very high84 Ų8446.4 Ų46.439%0.39323%0.228SC..Hα-helixtrans-89.41.6179.2-61.7-76-175.500112.6F132 L138 K175 Y176F132-E136 HydrophobicContact CD2-CB 4.38Å; F132-E136 HydrophobicContact CD2-CG 3.76Å; F132-E136 HydrophobicContact CE2-CB 4.21Å; F132-E136 HydrophobicContact CE2-CG 3.74Å; F132-E136 WeakPolarHBondContact O-CB 3.39Å; F132-E136 PolarHBondContact O-N 2.8Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 HydrophobicContact CB-CD1 4.23Å; E136-L138 HydrophobicContact CB-CD2 4.47Å; E136-L138 HydrophobicContact CB-CG 3.95Å; E136-L138 PolarHBondContact O-N 3.31Å; E136-K175 IonicContact OE1-NZ 2.75Å; E136-K175 PolarHBondContact OE1-NZ 2.9Å; E136-Y176 HydrophobicContact CG-CE2 4.28Å; E136-Y176 WeakPolarHBondContact CG-OH 3.45Å; E136-Y176 PolarHBondContact OE1-OH 3.41Å
137K94.5Very high95.4Very high187 Ų18746.9 Ų46.981%0.81323%0.232SC*.THydrogen-bonded Turntrans53.446.3179.3-57.4-179.5-179.2-179.50113.2H133 E134 E135H133-K137 CarbonylContact O-C 3.44Å; H133-K137 VanDerWaalsContact O-CA 3.32Å; H133-K137 WeakPolarHBondContact O-CA 3.4Å; H133-K137 PolarHBondContact O-N 2.92Å; E134-K137 PolarHBondContact O-N 3.43Å; E135-K137 VanDerWaalsContact C-N 3.32Å
138L93.9Very high95.4Very high54 Ų5446.9 Ų46.928%0.28323%0.231SC..  trans-89.3123.7178.9-58.2178.2000110.3Y14 F132 H133 E136 V142Y14-L138 WeakPolarHBondContact CD1-O 2.9Å; F132-L138 HydrophobicContact CE1-CD1 3.73Å; F132-L138 HydrophobicContact CE2-CD1 3.86Å; F132-L138 HydrophobicContact CZ-CD1 3.35Å; H133-L138 HydrophobicContact CB-CB 4.37Å; H133-L138 PolarHBondContact O-N 3.4Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-L138 HydrophobicContact CB-CD1 4.23Å; E136-L138 HydrophobicContact CB-CD2 4.47Å; E136-L138 HydrophobicContact CB-CG 3.95Å; E136-L138 PolarHBondContact O-N 3.31Å; L138-V142 HydrophobicContact CD1-CB 4.28Å; L138-V142 HydrophobicContact CD1-CG2 4.15Å
139D90.6Very high95.3Very high105 Ų10553 Ų5356%0.56125%0.254SS*.SBendtrans-81.9-30.7172.8-172.329.3000111.9S13 Y14S13-D139 CarbonylContact C-O 3.6Å; S13-D139 WeakPolarHBondContact CA-O 3.45Å; S13-D139 WeakPolarHBondContact CB-OD1 3.45Å; S13-D139 PolarHBondContact OG-OD1 3Å; Y14-D139 PolarHBondContact N-O 3.38Å
140E91.1Very high94.9Very high115 Ų11554 Ų5454%0.53726%0.264SS..BIsolated β-bridgetrans-85149178.4-60.3-171.7143.500112.2Q11 H133 V142Q11-E140 PolarHBondContact NE2-OE1 3.24Å; H133-E140 PolarHBondContact CD2-O 3.15Å; H133-E140 PolarHBondContact NE2-O 3.08Å; E140-V142 PolarHBondContact O-N 3.04Å; E140-V142 VanDerWaalsContact O-N 3.15Å
141V92.6Very high94.4Very high39 Ų3957.8 Ų57.824%0.23629%0.292CS..  trans-77.199.9174.7-175.80000111.1L12 L17 L128 H133 V143L12-V141 HydrophobicContact CB-CG2 4.34Å; L17-V141 HydrophobicContact CD1-CG1 4.43Å; L17-V141 HydrophobicContact CD1-CG2 4.38Å; L17-V141 HydrophobicContact CD2-CG2 4.42Å; L17-V141 HydrophobicContact CG-CG2 4.27Å; L128-V141 HydrophobicContact CD1-CG1 3.9Å; H133-V141 WeakPolarHBondContact NE2-CA 3.11Å; V141-V143 HydrophobicContact CG1-CG2 3.91Å
142V93.8Very high94.1Very high57 Ų5764.5 Ų64.535%0.34532%0.322SS..  trans-98.2126.3175.5179.80000110.5F132 H133 L138 E140F132-V142 HydrophobicContact CE1-CB 3.99Å; F132-V142 HydrophobicContact CE1-CG1 4.08Å; F132-V142 HydrophobicContact CZ-CB 4.43Å; F132-V142 HydrophobicContact CZ-CG1 4.26Å; H133-V142 PolarHBondContact CE1-O 3.19Å; H133-V142 PolarHBondContact NE2-N 2.78Å; H133-V142 PolarHBondContact NE2-O 3.37Å; L138-V142 HydrophobicContact CD1-CB 4.28Å; L138-V142 HydrophobicContact CD1-CG2 4.15Å; E140-V142 PolarHBondContact O-N 3.04Å; E140-V142 VanDerWaalsContact O-N 3.15Å
143V96Very high93.9Very high15 Ų1565.2 Ų65.29%0.09133%0.325CS..  trans-128.6105.4-174.7-171.10000110.9I80 L126 F127 L128 V141 M145I80-V143 HydrophobicContact CD1-CB 4.37Å; I80-V143 HydrophobicContact CD1-CG2 4.49Å; I80-V143 HydrophobicContact CG2-CB 4.18Å; I80-V143 HydrophobicContact CG2-CG1 3.89Å; I80-V143 HydrophobicContact CG2-CG2 3.97Å; L126-V143 HydrophobicContact CD1-CG1 4.5Å; L126-V143 HydrophobicContact CD2-CG1 4.12Å; L126-V143 HydrophobicContact CG-CG1 3.8Å; F127-V143 WeakPolarHBondContact O-CG1 2.92Å; L128-V143 HydrophobicContact CD1-CG2 3.9Å; V141-V143 HydrophobicContact CG1-CG2 3.91Å; V143-M145 HydrophobicContact CG1-CG 4.1Å; V143-M145 PolarHBondContact O-N 3.17Å
144P97.2Very high93.7Very high3 Ų368.7 Ų68.72%0.01935%0.346CS..  trans-61.4131.3171.3-27.237.4000112.4F127 E169 L172 I173F127-P144 HydrophobicContact CB-CB 4.27Å; F127-P144 HydrophobicContact CD1-CG 4.15Å; F127-P144 PolarHBondContact N-O 3Å; F127-P144 VanDerWaalsContact O-CD 3.31Å; F127-P144 WeakPolarHBondContact O-CD 3.47Å; P144-E169 HydrophobicContact CB-CB 3.93Å; P144-E169 HydrophobicContact CB-CG 4.01Å; P144-L172 HydrophobicContact CG-CB 4.05Å; P144-L172 HydrophobicContact CG-CD1 3.88Å; P144-I173 HydrophobicContact CB-CD1 4.14Å; P144-I173 HydrophobicContact CB-CG1 4.13Å
145M97.3Very high93.8Very high33 Ų3368.3 Ų68.316%0.16335%0.351CS..  trans-137.758.4-177.1-65.1179.5-69.300114.4V76 K77 I80 C125 L126 V143 E169V76-M145 HydrophobicContact CG1-CG 4.37Å; V76-M145 HydrophobicContact CG1-SD 4.05Å; K77-M145 HydrophobicContact CG-CE 4.23Å; K77-M145 HydrophobicContact CG-SD 4.47Å; I80-M145 HydrophobicContact CD1-CE 3.71Å; I80-M145 HydrophobicContact CD1-SD 4.05Å; C125-M145 CarbonylContact O-C 3.52Å; C125-M145 WeakPolarHBondContact O-CA 3.32Å; L126-M145 HydrophobicContact CB-CG 4.34Å; L126-M145 HydrophobicContact CD1-SD 4.44Å; L126-M145 HydrophobicContact CG-CG 4.32Å; V143-M145 HydrophobicContact CG1-CG 4.1Å; V143-M145 PolarHBondContact O-N 3.17Å; M145-E169 PolarHBondContact N-OE1 3.48Å
146P97.4Very high93.7Very high1 Ų164.8 Ų64.81%0.00634%0.335CS..  trans-67.9141.7-17730.1-34000110.9C125 F148 E169 M170 I173C125-P146 HydrophobicContact CB-CG 4.02Å; C125-P146 PolarHBondContact N-O 2.94Å; P146-F148 HydrophobicContact CB-CE2 4.19Å; P146-F148 HydrophobicContact CB-CZ 4.04Å; P146-F148 HydrophobicContact CG-CE2 4.38Å; P146-F148 HydrophobicContact CG-CZ 4.4Å; P146-E169 HydrophobicContact CB-CB 4.37Å; P146-E169 HydrophobicContact CG-CB 4.47Å; P146-M170 HydrophobicContact CB-CG 4.29Å; P146-M170 HydrophobicContact CB-SD 3.83Å; P146-M170 HydrophobicContact CG-SD 3.62Å; P146-I173 HydrophobicContact CG-CD1 3.53Å
147S97.4Very high93.4Very high14 Ų1462.5 Ų62.510%0.09833%0.331CS..EExtended strand (participates in β ladder)trans-124.7148.1178.8-63.10000111.9Y123 T124 I156Y123-S147 CarbonylContact O-C 3.56Å; Y123-S147 VanDerWaalsContact O-CA 3.29Å; Y123-S147 WeakPolarHBondContact O-CA 3.43Å; T124-S147 WeakPolarHBondContact CG2-OG 3.36Å; T124-S147 PolarHBondContact OG1-OG 3.46Å; S147-I156 PolarHBondContact O-N 3.44Å
148F96.9Very high93.1Very high0 Ų061.9 Ų61.90%033%0.331CS..EExtended strand (participates in β ladder)trans-135.9149.6-173.9-46.3-91.3000111.2I122 Y123 P146 K153 T154 P155 H166 M170 F185 Y186 F189I122-F148 WeakPolarHBondContact CA-O 3.42Å; Y123-F148 PolarHBondContact N-O 3.46Å; Y123-F148 PolarHBondContact O-N 2.7Å; P146-F148 HydrophobicContact CB-CE2 4.19Å; P146-F148 HydrophobicContact CB-CZ 4.04Å; P146-F148 HydrophobicContact CG-CE2 4.38Å; P146-F148 HydrophobicContact CG-CZ 4.4Å; F148-K153 HydrophobicContact CB-CB 4.09Å; F148-K153 HydrophobicContact CD1-CB 4.48Å; F148-K153 WeakPolarHBondContact CD1-O 3.19Å; F148-K153 HydrophobicContact CG-CB 4.37Å; F148-T154 CarbonylContact C-O 3.43Å; F148-T154 WeakPolarHBondContact CA-O 3.32Å; F148-P155 HydrophobicContact CD1-CG 4.44Å; F148-H166 AromaticContact CD1-CE1 3.97Å; F148-H166 AromaticContact CE1-CE1 3.42Å; F148-H166 VanDerWaalsContact CE1-CE1 3.42Å; F148-H166 WeakPolarHBondContact CE1-CE1 3.29Å; F148-H166 AromaticContact CE1-NE2 3.49Å; F148-H166 WeakPolarHBondContact CE1-NE2 3.49Å; F148-H166 AromaticContact CZ-CE1 3.8Å; F148-M170 HydrophobicContact CE1-SD 4.42Å; F148-M170 HydrophobicContact CZ-CE 4.35Å; F148-M170 HydrophobicContact CZ-SD 3.65Å; F148-F185 AromaticContact CE2-CE1 3.86Å; F148-F185 HydrophobicContact CE2-CE1 3.86Å; F148-F185 HydrophobicContact CE2-CZ 4.1Å; F148-F185 AromaticContact CZ-CE1 3.84Å; F148-F185 HydrophobicContact CZ-CE1 3.84Å; F148-F185 HydrophobicContact CZ-CZ 4.28Å; F148-Y186 HydrophobicContact CD1-CE1 4.25Å; F148-Y186 AromaticContact CE1-CE1 3.91Å; F148-Y186 HydrophobicContact CE1-CE1 3.91Å; F148-Y186 WeakPolarHBondContact CE1-OH 3.38Å; F148-Y186 HydrophobicContact CE2-CE1 4.39Å; F148-Y186 AromaticContact CZ-CE1 3.99Å; F148-Y186 HydrophobicContact CZ-CE1 3.99Å; F148-F189 HydrophobicContact CD2-CE2 4.01Å; F148-F189 HydrophobicContact CD2-CZ 4.31Å; F148-F189 HydrophobicContact CE2-CE2 4.03Å; F148-F189 HydrophobicContact CE2-CZ 4.42Å
149R94.8Very high93Very high137 Ų13762.1 Ų62.152%0.51734%0.335SS..EExtended strand (participates in β ladder)trans-114.5135.6-179.5-174.3-178.4-62.8-96.92.6111.2T154 I156R149-T154 PolarHBondContact N-O 2.82Å; R149-T154 PolarHBondContact O-N 2.9Å; R149-T154 VanDerWaalsContact O-N 3.11Å; R149-T154 PolarHBondContact O-OG1 3.23Å; R149-I156 HydrophobicContact CB-CD1 4.11Å; R149-I156 HydrophobicContact CB-CG1 3.88Å
150G88.2Confident93.1Very high20 Ų2061.3 Ų61.321%0.20634%0.335CS..THydrogen-bonded Turntrans72.6174171.700000113.7G121 Y123 E152 K153G121-G150 PolarHBondContact O-N 3.05Å; Y123-G150 VanDerWaalsContact CE2-O 3.22Å; Y123-G150 WeakPolarHBondContact CE2-O 3.4Å; G150-E152 PolarHBondContact O-N 3.12Å; G150-K153 PolarHBondContact O-N 2.78Å
151P85.4Confident93.2Very high108 Ų10861 Ų6170%0.70133%0.333SS*.THydrogen-bonded Turntrans-64.7-26.7-177.225.7-33.8000113.3K153P151-K153 PolarHBondContact O-N 2.94Å
152E89.2Confident93.2Very high167 Ų16762.3 Ų62.378%0.7834%0.339SS*.THydrogen-bonded Turntrans-70.6-8.4173.7-62.8-68.2176.400113.1G150 T154G150-E152 PolarHBondContact O-N 3.12Å; E152-T154 VanDerWaalsContact C-N 3.3Å; E152-T154 HydrophobicContact CB-CG2 4.04Å; E152-T154 PolarHBondContact O-N 3.3Å
153K91.4Very high93.2Very high24 Ų2465.7 Ų65.710%0.10435%0.349CS..THydrogen-bonded Turntrans52.847.9-180-53.9-180-178.278.60111.7F148 G150 P151 Y186 F189 D190F148-K153 HydrophobicContact CB-CB 4.09Å; F148-K153 HydrophobicContact CD1-CB 4.48Å; F148-K153 WeakPolarHBondContact CD1-O 3.19Å; F148-K153 HydrophobicContact CG-CB 4.37Å; G150-K153 PolarHBondContact O-N 2.78Å; P151-K153 PolarHBondContact O-N 2.94Å; K153-Y186 HydrophobicContact CB-CD1 4.24Å; K153-Y186 HydrophobicContact CB-CE1 3.95Å; K153-Y186 HydrophobicContact CD-CD1 3.28Å; K153-Y186 HydrophobicContact CD-CE1 3.89Å; K153-Y186 HydrophobicContact CD-CG 3.66Å; K153-Y186 HydrophobicContact CG-CD1 4.37Å; K153-F189 HydrophobicContact CD-CD2 4.33Å; K153-D190 WeakPolarHBondContact CE-OD1 3.21Å; K153-D190 IonicContact NZ-OD1 2.8Å; K153-D190 PolarHBondContact NZ-OD1 3.34Å; K153-D190 IonicContact NZ-OD2 2.7Å
154T94.3Very high93.2Very high74 Ų7472 Ų7245%0.45438%0.375SS..EExtended strand (participates in β ladder)trans-70.4130.5177.155.30000110.9F148 R149 E152 I156F148-T154 CarbonylContact C-O 3.43Å; F148-T154 WeakPolarHBondContact CA-O 3.32Å; R149-T154 PolarHBondContact N-O 2.82Å; R149-T154 PolarHBondContact O-N 2.9Å; R149-T154 VanDerWaalsContact O-N 3.11Å; R149-T154 PolarHBondContact O-OG1 3.23Å; E152-T154 VanDerWaalsContact C-N 3.3Å; E152-T154 HydrophobicContact CB-CG2 4.04Å; E152-T154 PolarHBondContact O-N 3.3Å; T154-I156 PolarHBondContact O-N 2.92Å
155P95.5Very high93.1Very high73 Ų7377.3 Ų77.347%0.47440%0.398SS..EExtended strand (participates in β ladder)trans-54.9134.6178.9-30.137.4000113.2F148 A157F148-P155 HydrophobicContact CD1-CG 4.44Å; P155-A157 PolarHBondContact O-N 3.37Å
156I93.8Very high93.1Very high51 Ų5176.3 Ų76.326%0.26239%0.393SS..  trans-8791.1169.4-58.3177.4000107.6I122 S147 R149 T154I122-I156 HydrophobicContact CG1-CD1 4.43Å; I122-I156 HydrophobicContact CG2-CD1 3.77Å; S147-I156 PolarHBondContact O-N 3.44Å; R149-I156 HydrophobicContact CB-CD1 4.11Å; R149-I156 HydrophobicContact CB-CG1 3.88Å; T154-I156 PolarHBondContact O-N 2.92Å
157A89.9Confident93.1Very high35 Ų3580.6 Ų80.629%0.28942%0.416SS..  trans-141.5114.2175.400000108.9P155 D162 K163P155-A157 PolarHBondContact O-N 3.37Å; A157-D162 HydrophobicContact CB-CB 3.77Å; A157-K163 HydrophobicContact CB-CB 4.17Å
158E88.2Confident93.1Very high174 Ų17484.8 Ų84.881%0.81344%0.437SS*.  trans-92.6-35-176.3-65-177.9-177.400111.3D162E158-D162 PolarHBondContact N-OD2 3.21Å
159T92.6Very high93.1Very high60 Ų6085.8 Ų85.837%0.36844%0.441SS..SBendtrans-105.2157.9-179.966.90000112.4E161 D162 K163T159-E161 PolarHBondContact O-N 3.11Å; T159-D162 PolarHBondContact N-OD2 3.15Å; T159-D162 WeakPolarHBondContact O-CB 3.48Å; T159-D162 PolarHBondContact O-N 2.86Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD2 3.08Å; T159-K163 PolarHBondContact O-N 3.1Å
160P92.4Very high93.2Very high87 Ų8780 Ų8057%0.56542%0.42SS*.Hα-helixtrans-55.5-34170.5-25.335.2000113.3K163 K164P160-K163 PolarHBondContact O-N 2.91Å; P160-K164 WeakPolarHBondContact O-CG 3.16Å; P160-K164 PolarHBondContact O-N 2.95Å
161E93.1Very high93.7Very high109 Ų10984.1 Ų84.151%0.50943%0.434SS..Hα-helixtrans-66.2-45.1175.8-68.163-137.300111.1T159 K163 K164 K165T159-E161 PolarHBondContact O-N 3.11Å; E161-K163 VanDerWaalsContact C-N 3.26Å; E161-K163 PolarHBondContact O-N 2.88Å; E161-K164 PolarHBondContact O-N 2.76Å; E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 PolarHBondContact O-N 3.43Å
162D92.7Very high94.2Very high66 Ų6680 Ų8035%0.35341%0.406SS..Hα-helixtrans-60.4-39.1174.7-64.4-40.7000111.3A157 E158 T159 K165 H166A157-D162 HydrophobicContact CB-CB 3.77Å; E158-D162 PolarHBondContact N-OD2 3.21Å; T159-D162 PolarHBondContact N-OD2 3.15Å; T159-D162 WeakPolarHBondContact O-CB 3.48Å; T159-D162 PolarHBondContact O-N 2.86Å; T159-D162 PolarHBondContact OG1-N 3.35Å; T159-D162 PolarHBondContact OG1-OD2 3.08Å; D162-K165 PolarHBondContact O-N 2.96Å; D162-H166 VanDerWaalsContact O-CB 3.29Å; D162-H166 WeakPolarHBondContact O-CB 3.45Å; D162-H166 PolarHBondContact O-N 3.4Å
163K94Very high94.7Very high129 Ų12972 Ų7256%0.56137%0.369SS*.Hα-helixtrans-66-46.1178.5-171.5177.2-180-179.30111.4A157 T159 P160 E161 K165 H166 D167A157-K163 HydrophobicContact CB-CB 4.17Å; T159-K163 PolarHBondContact O-N 3.1Å; P160-K163 PolarHBondContact O-N 2.91Å; E161-K163 VanDerWaalsContact C-N 3.26Å; E161-K163 PolarHBondContact O-N 2.88Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 3.19Å; K163-H166 WeakPolarHBondContact O-CB 3.32Å; K163-H166 PolarHBondContact O-N 3.47Å; K163-D167 VanDerWaalsContact O-CG 3.23Å; K163-D167 PolarHBondContact O-N 2.94Å
164K95.8Very high95Very high147 Ų14772.9 Ų72.964%0.63937%0.374SS*.Hα-helixtrans-59.8-42.8175-73.4174.3-177171.20111.7P160 E161 D167 L168P160-K164 WeakPolarHBondContact O-CG 3.16Å; P160-K164 PolarHBondContact O-N 2.95Å; E161-K164 PolarHBondContact O-N 2.76Å; K164-D167 PolarHBondContact O-N 3.21Å; K164-L168 WeakPolarHBondContact O-CB 3.42Å; K164-L168 PolarHBondContact O-N 3.13Å
165K95.9Very high95.1Very high115 Ų11573.7 Ų73.750%0.537%0.371SS..Hα-helixtrans-60.7-49175.2179.6-173.8170-171.60110.7E161 D162 K163 D167 L168 E169E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 PolarHBondContact O-N 3.43Å; D162-K165 PolarHBondContact O-N 2.96Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 3.19Å; K165-D167 VanDerWaalsContact C-N 3.34Å; K165-D167 PolarHBondContact O-N 3.37Å; K165-L168 PolarHBondContact O-N 3.48Å; K165-E169 WeakPolarHBondContact CE-OE1 3.44Å; K165-E169 HydrophobicContact CG-CG 4.33Å; K165-E169 IonicContact NZ-OE1 3.56Å; K165-E169 VanDerWaalsContact O-CG 3.32Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 3.4Å
166H97Very high95.2Very high11 Ų1170.8 Ų70.85%0.05135%0.351CS..Hα-helixtrans-58.2-46.2178.7-175.795000111.8F148 D162 K163 L168 E169 M170F148-H166 AromaticContact CD1-CE1 3.97Å; F148-H166 AromaticContact CE1-CE1 3.42Å; F148-H166 VanDerWaalsContact CE1-CE1 3.42Å; F148-H166 WeakPolarHBondContact CE1-CE1 3.29Å; F148-H166 AromaticContact CE1-NE2 3.49Å; F148-H166 WeakPolarHBondContact CE1-NE2 3.49Å; F148-H166 AromaticContact CZ-CE1 3.8Å; D162-H166 VanDerWaalsContact O-CB 3.29Å; D162-H166 WeakPolarHBondContact O-CB 3.45Å; D162-H166 PolarHBondContact O-N 3.4Å; K163-H166 WeakPolarHBondContact O-CB 3.32Å; K163-H166 PolarHBondContact O-N 3.47Å; H166-L168 VanDerWaalsContact C-N 3.31Å; H166-L168 PolarHBondContact O-N 3.4Å; H166-E169 PolarHBondContact O-N 2.97Å; H166-M170 WeakPolarHBondContact O-CB 3.49Å; H166-M170 WeakPolarHBondContact O-CG 3.48Å; H166-M170 PolarHBondContact O-N 3.3Å
167D96.7Very high95.3Very high91 Ų9168.3 Ų68.349%0.48734%0.339SS..Hα-helixtrans-62.2-39.6178.8-67.7-21000111.3K163 K164 K165 H171K163-D167 VanDerWaalsContact O-CG 3.23Å; K163-D167 PolarHBondContact O-N 2.94Å; K164-D167 PolarHBondContact O-N 3.21Å; K165-D167 VanDerWaalsContact C-N 3.34Å; K165-D167 PolarHBondContact O-N 3.37Å; D167-H171 WeakPolarHBondContact O-CB 3.35Å; D167-H171 PolarHBondContact O-N 3.3Å
168L96.9Very high95.6Very high102 Ų10267.5 Ų67.553%0.53433%0.33SS..Hα-helixtrans-66.6-46.1174.317962.4000112.1K164 K165 H166 M170 H171 L172K164-L168 WeakPolarHBondContact O-CB 3.42Å; K164-L168 PolarHBondContact O-N 3.13Å; K165-L168 PolarHBondContact O-N 3.48Å; H166-L168 VanDerWaalsContact C-N 3.31Å; H166-L168 PolarHBondContact O-N 3.4Å; L168-M170 VanDerWaalsContact C-N 3.29Å; L168-M170 PolarHBondContact O-N 2.79Å; L168-H171 WeakPolarHBondContact O-CB 3.45Å; L168-H171 PolarHBondContact O-N 3.33Å; L168-L172 HydrophobicContact CD1-CG 4.38Å; L168-L172 HydrophobicContact CG-CD1 4.37Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 3.14Å
169E97.7Very high96Very high22 Ų2259.8 Ų59.810%0.10329%0.294CS..Hα-helixtrans-57.7-44.9176.9-73.6179145.200111.1P144 M145 P146 K165 H166 L172 I173P144-E169 HydrophobicContact CB-CB 3.93Å; P144-E169 HydrophobicContact CB-CG 4.01Å; M145-E169 PolarHBondContact N-OE1 3.48Å; P146-E169 HydrophobicContact CB-CB 4.37Å; P146-E169 HydrophobicContact CG-CB 4.47Å; K165-E169 WeakPolarHBondContact CE-OE1 3.44Å; K165-E169 HydrophobicContact CG-CG 4.33Å; K165-E169 IonicContact NZ-OE1 3.56Å; K165-E169 VanDerWaalsContact O-CG 3.32Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 3.4Å; H166-E169 PolarHBondContact O-N 2.97Å; E169-L172 PolarHBondContact O-N 3.29Å; E169-I173 WeakPolarHBondContact O-CG1 3.22Å; E169-I173 PolarHBondContact O-N 3.27Å
170M97.6Very high96.1Very high14 Ų1463.7 Ų63.77%0.06930%0.302CS..Hα-helixtrans-64.6-42.5175.9-73.7-54-60.200112.2P146 F148 H166 L168 L172 I173 L174 L182 F185P146-M170 HydrophobicContact CB-CG 4.29Å; P146-M170 HydrophobicContact CB-SD 3.83Å; P146-M170 HydrophobicContact CG-SD 3.62Å; F148-M170 HydrophobicContact CE1-SD 4.42Å; F148-M170 HydrophobicContact CZ-CE 4.35Å; F148-M170 HydrophobicContact CZ-SD 3.65Å; H166-M170 WeakPolarHBondContact O-CB 3.49Å; H166-M170 WeakPolarHBondContact O-CG 3.48Å; H166-M170 PolarHBondContact O-N 3.3Å; L168-M170 VanDerWaalsContact C-N 3.29Å; L168-M170 PolarHBondContact O-N 2.79Å; M170-L172 PolarHBondContact O-N 3.45Å; M170-I173 PolarHBondContact O-N 2.82Å; M170-L174 VanDerWaalsContact O-CG 3.29Å; M170-L174 WeakPolarHBondContact O-CG 3.46Å; M170-L174 PolarHBondContact O-N 2.89Å; M170-L182 HydrophobicContact CE-CD2 3.55Å; M170-F185 HydrophobicContact CE-CD1 3.95Å; M170-F185 HydrophobicContact CE-CE1 3.8Å; M170-F185 HydrophobicContact CE-CG 4.39Å; M170-F185 HydrophobicContact CE-CZ 4.12Å; M170-F185 HydrophobicContact SD-CE1 4.22Å; M170-F185 HydrophobicContact SD-CZ 4.15Å
171H97.3Very high96.2Very high108 Ų10861.9 Ų61.950%0.529%0.291SS..Hα-helixtrans-58.2-47.2175.7176.872.4000111.8D167 L168 I173 L174 K175D167-H171 WeakPolarHBondContact O-CB 3.35Å; D167-H171 PolarHBondContact O-N 3.3Å; L168-H171 WeakPolarHBondContact O-CB 3.45Å; L168-H171 PolarHBondContact O-N 3.33Å; H171-I173 PolarHBondContact O-N 2.67Å; H171-L174 PolarHBondContact O-N 3.44Å; H171-K175 VanDerWaalsContact O-CB 3.24Å; H171-K175 WeakPolarHBondContact O-CB 3.43Å; H171-K175 PolarHBondContact O-N 3.33Å
172L97.4Very high96.3Very high21 Ų2160.6 Ų60.611%0.1129%0.287CS..Hα-helixtrans-61.3-44.5178.6-69.6175.4000111.9F132 P144 L168 E169 M170 K175 Y176F132-L172 HydrophobicContact CD2-CD2 4.15Å; F132-L172 HydrophobicContact CE2-CD1 4.16Å; F132-L172 HydrophobicContact CE2-CD2 3.56Å; F132-L172 HydrophobicContact CE2-CG 4.42Å; F132-L172 HydrophobicContact CZ-CD1 3.89Å; F132-L172 HydrophobicContact CZ-CD2 4.17Å; P144-L172 HydrophobicContact CG-CB 4.05Å; P144-L172 HydrophobicContact CG-CD1 3.88Å; L168-L172 HydrophobicContact CD1-CG 4.38Å; L168-L172 HydrophobicContact CG-CD1 4.37Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 3.14Å; E169-L172 PolarHBondContact O-N 3.29Å; M170-L172 PolarHBondContact O-N 3.45Å; L172-K175 PolarHBondContact O-N 3.25Å; L172-Y176 HydrophobicContact CD2-CD2 4.39Å; L172-Y176 HydrophobicContact CD2-CE2 4.21Å; L172-Y176 WeakPolarHBondContact O-CD2 3.39Å; L172-Y176 PolarHBondContact O-N 3.28Å
173I97.9Very high96.4Very high0 Ų065.5 Ų65.50%031%0.305CS..Hα-helixtrans-61.8-48.2177.8-70.6163.8000110.9F127 P144 P146 E169 M170 H171 K175 Y176 S177 F185F127-I173 HydrophobicContact CB-CD1 4.22Å; F127-I173 HydrophobicContact CB-CG1 3.77Å; F127-I173 HydrophobicContact CD1-CB 4.36Å; F127-I173 HydrophobicContact CD1-CG1 3.59Å; F127-I173 HydrophobicContact CE1-CG1 4.44Å; F127-I173 HydrophobicContact CG-CG1 3.88Å; P144-I173 HydrophobicContact CB-CD1 4.14Å; P144-I173 HydrophobicContact CB-CG1 4.13Å; P146-I173 HydrophobicContact CG-CD1 3.53Å; E169-I173 WeakPolarHBondContact O-CG1 3.22Å; E169-I173 PolarHBondContact O-N 3.27Å; M170-I173 PolarHBondContact O-N 2.82Å; H171-I173 PolarHBondContact O-N 2.67Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 3.38Å; I173-Y176 PolarHBondContact O-N 3.48Å; I173-S177 WeakPolarHBondContact O-CA 3.16Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.95Å; I173-S177 PolarHBondContact O-OG 3.32Å; I173-F185 HydrophobicContact CD1-CE2 4.39Å; I173-F185 HydrophobicContact CG2-CD2 3.77Å; I173-F185 HydrophobicContact CG2-CE2 3.71Å
174L97.6Very high96.4Very high42 Ų4263 Ų6322%0.2230%0.298CS..Hα-helixtrans-67-30.6-179.1-63175.7000112M170 H171 F179 R180 L182 F185M170-L174 VanDerWaalsContact O-CG 3.29Å; M170-L174 WeakPolarHBondContact O-CG 3.46Å; M170-L174 PolarHBondContact O-N 2.89Å; H171-L174 PolarHBondContact O-N 3.44Å; L174-F179 VanDerWaalsContact CD2-O 3.23Å; L174-F179 WeakPolarHBondContact CD2-O 3.42Å; L174-R180 WeakPolarHBondContact O-CD 3.48Å; L174-R180 PolarHBondContact O-NH1 3.03Å; L174-L182 HydrophobicContact CD1-CD2 4.08Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L174-F185 HydrophobicContact CD2-CB 4.38Å
175K97.3Very high96.5Very high90 Ų9056 Ų5639%0.39127%0.268SS..Hα-helixtrans-77.2-31.6178.5-177.1-179172.7-162.10114.1E136 H171 L172 I173 R180E136-K175 IonicContact OE1-NZ 2.75Å; E136-K175 PolarHBondContact OE1-NZ 2.9Å; H171-K175 VanDerWaalsContact O-CB 3.24Å; H171-K175 WeakPolarHBondContact O-CB 3.43Å; H171-K175 PolarHBondContact O-N 3.33Å; L172-K175 PolarHBondContact O-N 3.25Å; I173-K175 VanDerWaalsContact C-N 3.27Å; I173-K175 PolarHBondContact O-N 3.38Å; K175-R180 PolarHBondContact O-NH1 3.2Å
176Y97.3Very high96.5Very high12 Ų1253.1 Ų53.15%0.04725%0.254CS..Hα-helixtrans-119.5-22.9-172.2-71.2-71.7000115.4F132 E135 E136 L172 I173 Y203F132-Y176 HydrophobicContact CB-CD1 4.23Å; F132-Y176 HydrophobicContact CB-CD2 4.05Å; F132-Y176 HydrophobicContact CB-CE2 4.49Å; F132-Y176 HydrophobicContact CB-CG 3.91Å; F132-Y176 AromaticContact CD2-CD2 3.74Å; F132-Y176 HydrophobicContact CD2-CD2 3.74Å; F132-Y176 AromaticContact CD2-CE2 3.59Å; F132-Y176 HydrophobicContact CD2-CE2 3.59Å; F132-Y176 HydrophobicContact CD2-CG 4.44Å; F132-Y176 HydrophobicContact CE2-CE2 4.35Å; F132-Y176 HydrophobicContact CG-CD2 4.22Å; F132-Y176 HydrophobicContact CG-CE2 4.46Å; E135-Y176 HydrophobicContact CB-CE1 4.05Å; E135-Y176 HydrophobicContact CG-CE1 4.4Å; E135-Y176 WeakPolarHBondContact OE2-CE1 3.29Å; E136-Y176 HydrophobicContact CG-CE2 4.28Å; E136-Y176 WeakPolarHBondContact CG-OH 3.45Å; E136-Y176 PolarHBondContact OE1-OH 3.41Å; L172-Y176 HydrophobicContact CD2-CD2 4.39Å; L172-Y176 HydrophobicContact CD2-CE2 4.21Å; L172-Y176 WeakPolarHBondContact O-CD2 3.39Å; L172-Y176 PolarHBondContact O-N 3.28Å; I173-Y176 PolarHBondContact O-N 3.48Å; Y176-Y203 PolarHBondContact O-OH 2.99Å; Y176-Y203 VanDerWaalsContact O-OH 3.07Å
177S96.8Very high96.3Very high0 Ų054.3 Ų54.30%027%0.266CS..SBendtrans-80.5165.2176.383.50000112I173 F179 R180 Y203I173-S177 WeakPolarHBondContact O-CA 3.16Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.95Å; I173-S177 PolarHBondContact O-OG 3.32Å; S177-F179 PolarHBondContact O-N 3.1Å; S177-F179 VanDerWaalsContact O-N 3.09Å; S177-F179 PolarHBondContact OG-N 3.23Å; S177-R180 WeakPolarHBondContact O-CD 3.35Å; S177-R180 PolarHBondContact O-NE 3.04Å; S177-R180 VanDerWaalsContact O-NE 3.11Å; S177-R180 PolarHBondContact O-NH1 3.49Å; S177-Y203 WeakPolarHBondContact CA-OH 3.18Å
178P95.8Very high96.3Very high17 Ų1750.7 Ų50.711%0.1125%0.246CC..SBendtrans-62.5-14.7173.3-21.335000113.3V56 L61 R180 Y203V56-P178 HydrophobicContact CG1-CB 4.5Å; V56-P178 HydrophobicContact CG1-CG 4.2Å; L61-P178 HydrophobicContact CD1-CB 4.39Å; L61-P178 HydrophobicContact CD2-CB 4.17Å; L61-P178 HydrophobicContact CD2-CG 3.74Å; P178-R180 PolarHBondContact O-N 3.41Å; P178-Y203 HydrophobicContact CG-CD1 3.88Å; P178-Y203 HydrophobicContact CG-CD2 3.71Å; P178-Y203 HydrophobicContact CG-CE1 4.04Å; P178-Y203 HydrophobicContact CG-CE2 3.87Å; P178-Y203 HydrophobicContact CG-CG 3.72Å
179F95.9Very high96.2Very high12 Ų1245.9 Ų45.95%0.05322%0.221CC..  trans-95.889.2-175.6-46.3-64.5000110.6V114 F116 L174 S177 C181 D184 F185 Q188 I201V114-F179 HydrophobicContact CB-CE2 4.41Å; V114-F179 HydrophobicContact CG1-CE2 4.49Å; V114-F179 HydrophobicContact CG2-CE2 4.22Å; F116-F179 HydrophobicContact CE2-CD2 4.35Å; F116-F179 AromaticContact CE2-CE2 3.78Å; F116-F179 HydrophobicContact CE2-CE2 3.78Å; F116-F179 HydrophobicContact CE2-CZ 4.43Å; F116-F179 AromaticContact CZ-CD2 3.95Å; F116-F179 HydrophobicContact CZ-CD2 3.95Å; F116-F179 AromaticContact CZ-CE2 3.86Å; F116-F179 HydrophobicContact CZ-CE2 3.86Å; L174-F179 VanDerWaalsContact CD2-O 3.23Å; L174-F179 WeakPolarHBondContact CD2-O 3.42Å; S177-F179 PolarHBondContact O-N 3.1Å; S177-F179 VanDerWaalsContact O-N 3.09Å; S177-F179 PolarHBondContact OG-N 3.23Å; F179-C181 VanDerWaalsContact C-N 3.29Å; F179-C181 PolarHBondContact O-N 3.18Å; F179-D184 HydrophobicContact CB-CB 4.46Å; F179-D184 HydrophobicContact CD1-CB 4.39Å; F179-F185 HydrophobicContact CB-CB 4.13Å; F179-Q188 HydrophobicContact CD1-CG 4.12Å; F179-Q188 HydrophobicContact CD2-CG 4.43Å; F179-Q188 VanDerWaalsContact CE1-CD 3.43Å; F179-Q188 HydrophobicContact CE1-CG 3.74Å; F179-Q188 HydrophobicContact CE2-CG 4.07Å; F179-Q188 HydrophobicContact CG-CG 4.45Å; F179-Q188 HydrophobicContact CZ-CG 3.72Å; F179-I201 HydrophobicContact CE2-CD1 4.13Å; F179-I201 HydrophobicContact CZ-CD1 3.58Å
180R94.2Very high95.9Very high142 Ų14249.4 Ų49.454%0.53624%0.24SC..  trans-79.7-6.3-172.5-51.3-55.1-176174.21.4114.7L174 K175 S177 P178L174-R180 WeakPolarHBondContact O-CD 3.48Å; L174-R180 PolarHBondContact O-NH1 3.03Å; K175-R180 PolarHBondContact O-NH1 3.2Å; S177-R180 WeakPolarHBondContact O-CD 3.35Å; S177-R180 PolarHBondContact O-NE 3.04Å; S177-R180 VanDerWaalsContact O-NE 3.11Å; S177-R180 PolarHBondContact O-NH1 3.49Å; P178-R180 PolarHBondContact O-N 3.41Å
181C95.4Very high95.5Very high49 Ų4952.3 Ų52.333%0.33125%0.253SS..SBendtrans-139.8157.1177.280.30000112.1F179 K183 D184 F185F179-C181 VanDerWaalsContact C-N 3.29Å; F179-C181 PolarHBondContact O-N 3.18Å; C181-K183 PolarHBondContact O-N 2.86Å; C181-D184 PolarHBondContact O-N 3.29Å; C181-D184 PolarHBondContact SG-OD2 3.44Å; C181-F185 PolarHBondContact O-N 3.21Å; C181-F185 VanDerWaalsContact O-N 3.09Å
182L95Very high95.2Very high83 Ų8347.8 Ų47.844%0.43523%0.232SC..Hα-helixtrans-59-33.5-179.2-70.7176.4000113M170 L174 F185 Y186M170-L182 HydrophobicContact CE-CD2 3.55Å; L174-L182 HydrophobicContact CD1-CD2 4.08Å; L174-L182 HydrophobicContact CD1-CG 4.38Å; L182-F185 PolarHBondContact O-N 3.05Å; L182-Y186 HydrophobicContact CB-CD2 4.17Å; L182-Y186 HydrophobicContact CB-CE2 4Å; L182-Y186 HydrophobicContact CD2-CE2 4.13Å; L182-Y186 HydrophobicContact CG-CE2 4.47Å; L182-Y186 WeakPolarHBondContact O-CB 3.2Å; L182-Y186 WeakPolarHBondContact O-CD2 3.48Å; L182-Y186 PolarHBondContact O-N 3.42Å
183K95.1Very high94.3Very high168 Ų16856.3 Ų56.373%0.7327%0.268SS*.Hα-helixtrans-61.6-49.5178.5-177.8-174.9173.6-171.90111.1C181 A187C181-K183 PolarHBondContact O-N 2.86Å; K183-A187 WeakPolarHBondContact O-CB 3.43Å; K183-A187 PolarHBondContact O-N 2.84Å
184D94.5Very high93.4Very high77 Ų7760.8 Ų60.841%0.41229%0.289SS..Hα-helixtrans-71.5-33.9-178.3-59.8-28.8000111.9F179 C181 Q188F179-D184 HydrophobicContact CB-CB 4.46Å; F179-D184 HydrophobicContact CD1-CB 4.39Å; C181-D184 PolarHBondContact O-N 3.29Å; C181-D184 PolarHBondContact SG-OD2 3.44Å; D184-Q188 PolarHBondContact O-NE2 3.09Å
185F96.8Very high93Very high0 Ų065.6 Ų65.60%032%0.315CS..Hα-helixtrans-62.8-54173.3174.9-95.1000111.5F116 C125 F148 M170 I173 L174 F179 C181 L182 A187 Q188 F189F116-F185 HydrophobicContact CD1-CE2 4.48Å; F116-F185 AromaticContact CE1-CD2 3.68Å; F116-F185 HydrophobicContact CE1-CD2 3.68Å; F116-F185 HydrophobicContact CE1-CE1 4.49Å; F116-F185 AromaticContact CE1-CE2 3.42Å; F116-F185 HydrophobicContact CE1-CE2 3.42Å; F116-F185 VanDerWaalsContact CE1-CE2 3.42Å; F116-F185 HydrophobicContact CE1-CG 4.32Å; F116-F185 AromaticContact CE1-CZ 3.89Å; F116-F185 HydrophobicContact CE1-CZ 3.89Å; F116-F185 AromaticContact CZ-CD2 3.92Å; F116-F185 HydrophobicContact CZ-CD2 3.92Å; F116-F185 AromaticContact CZ-CE2 3.91Å; F116-F185 HydrophobicContact CZ-CE2 3.91Å; C125-F185 HydrophobicContact CB-CE2 4.08Å; C125-F185 HydrophobicContact CB-CZ 3.78Å; F148-F185 AromaticContact CE2-CE1 3.86Å; F148-F185 HydrophobicContact CE2-CE1 3.86Å; F148-F185 HydrophobicContact CE2-CZ 4.1Å; F148-F185 AromaticContact CZ-CE1 3.84Å; F148-F185 HydrophobicContact CZ-CE1 3.84Å; F148-F185 HydrophobicContact CZ-CZ 4.28Å; M170-F185 HydrophobicContact CE-CD1 3.95Å; M170-F185 HydrophobicContact CE-CE1 3.8Å; M170-F185 HydrophobicContact CE-CG 4.39Å; M170-F185 HydrophobicContact CE-CZ 4.12Å; M170-F185 HydrophobicContact SD-CE1 4.22Å; M170-F185 HydrophobicContact SD-CZ 4.15Å; I173-F185 HydrophobicContact CD1-CE2 4.39Å; I173-F185 HydrophobicContact CG2-CD2 3.77Å; I173-F185 HydrophobicContact CG2-CE2 3.71Å; L174-F185 HydrophobicContact CD2-CB 4.38Å; F179-F185 HydrophobicContact CB-CB 4.13Å; C181-F185 PolarHBondContact O-N 3.21Å; C181-F185 VanDerWaalsContact O-N 3.09Å; L182-F185 PolarHBondContact O-N 3.05Å; F185-A187 VanDerWaalsContact C-N 3.28Å; F185-A187 PolarHBondContact O-N 2.91Å; F185-Q188 WeakPolarHBondContact O-CB 3.21Å; F185-Q188 PolarHBondContact O-N 2.99Å; F185-Q188 VanDerWaalsContact O-N 3.11Å; F185-F189 AromaticContact CE1-CE2 3.95Å; F185-F189 HydrophobicContact CE1-CE2 3.95Å; F185-F189 HydrophobicContact CZ-CE2 4.18Å
186Y95.6Very high92.9Very high54 Ų5462.8 Ų62.821%0.21231%0.307CS..Hα-helixtrans-67.7-28.7-178.9-69.4-44000113.1F148 K153 L182 Q188 F189 D190F148-Y186 HydrophobicContact CD1-CE1 4.25Å; F148-Y186 AromaticContact CE1-CE1 3.91Å; F148-Y186 HydrophobicContact CE1-CE1 3.91Å; F148-Y186 WeakPolarHBondContact CE1-OH 3.38Å; F148-Y186 HydrophobicContact CE2-CE1 4.39Å; F148-Y186 AromaticContact CZ-CE1 3.99Å; F148-Y186 HydrophobicContact CZ-CE1 3.99Å; K153-Y186 HydrophobicContact CB-CD1 4.24Å; K153-Y186 HydrophobicContact CB-CE1 3.95Å; K153-Y186 HydrophobicContact CD-CD1 3.28Å; K153-Y186 HydrophobicContact CD-CE1 3.89Å; K153-Y186 HydrophobicContact CD-CG 3.66Å; K153-Y186 HydrophobicContact CG-CD1 4.37Å; L182-Y186 HydrophobicContact CB-CD2 4.17Å; L182-Y186 HydrophobicContact CB-CE2 4Å; L182-Y186 HydrophobicContact CD2-CE2 4.13Å; L182-Y186 HydrophobicContact CG-CE2 4.47Å; L182-Y186 WeakPolarHBondContact O-CB 3.2Å; L182-Y186 WeakPolarHBondContact O-CD2 3.48Å; L182-Y186 PolarHBondContact O-N 3.42Å; Y186-Q188 PolarHBondContact O-N 2.91Å; Y186-Q188 VanDerWaalsContact O-N 3.16Å; Y186-F189 HydrophobicContact CD1-CD2 4.29Å; Y186-F189 PolarHBondContact O-N 2.96Å; Y186-F189 VanDerWaalsContact O-N 3.08Å; Y186-D190 PolarHBondContact O-N 3.48Å
187A94.4Very high92.9Very high37 Ų3762.2 Ų62.231%0.30630%0.304SS..Hα-helixtrans-59.2-24173.300000112.9K183 F185 D190 K191K183-A187 WeakPolarHBondContact O-CB 3.43Å; K183-A187 PolarHBondContact O-N 2.84Å; F185-A187 VanDerWaalsContact C-N 3.28Å; F185-A187 PolarHBondContact O-N 2.91Å; A187-D190 PolarHBondContact O-N 2.96Å; A187-K191 PolarHBondContact O-N 2.91Å
188Q94.9Very high92.9Very high14 Ų1462.6 Ų62.67%0.06531%0.307CS..Hα-helixtrans-69.5-37.2175.6-53.8-44.8-58.900112.1F116 F179 D184 F185 Y186 D190 K191 I201F116-Q188 HydrophobicContact CD1-CB 3.81Å; F116-Q188 HydrophobicContact CD2-CB 3.71Å; F116-Q188 HydrophobicContact CD2-CG 4.25Å; F116-Q188 HydrophobicContact CE1-CB 3.74Å; F116-Q188 HydrophobicContact CE1-CG 4.12Å; F116-Q188 HydrophobicContact CE2-CB 3.65Å; F116-Q188 HydrophobicContact CE2-CG 3.69Å; F116-Q188 HydrophobicContact CG-CB 3.8Å; F116-Q188 HydrophobicContact CZ-CB 3.67Å; F116-Q188 HydrophobicContact CZ-CG 3.62Å; F179-Q188 HydrophobicContact CD1-CG 4.12Å; F179-Q188 HydrophobicContact CD2-CG 4.43Å; F179-Q188 VanDerWaalsContact CE1-CD 3.43Å; F179-Q188 HydrophobicContact CE1-CG 3.74Å; F179-Q188 HydrophobicContact CE2-CG 4.07Å; F179-Q188 HydrophobicContact CG-CG 4.45Å; F179-Q188 HydrophobicContact CZ-CG 3.72Å; D184-Q188 PolarHBondContact O-NE2 3.09Å; F185-Q188 WeakPolarHBondContact O-CB 3.21Å; F185-Q188 PolarHBondContact O-N 2.99Å; F185-Q188 VanDerWaalsContact O-N 3.11Å; Y186-Q188 PolarHBondContact O-N 2.91Å; Y186-Q188 VanDerWaalsContact O-N 3.16Å; Q188-D190 VanDerWaalsContact C-N 3.3Å; Q188-D190 PolarHBondContact O-N 2.76Å; Q188-K191 WeakPolarHBondContact O-CB 3.3Å; Q188-K191 PolarHBondContact O-N 2.8Å; Q188-K191 VanDerWaalsContact OE1-CE 3.3Å; Q188-I201 HydrophobicContact CG-CD1 4.32Å
189F95.1Very high93Very high1 Ų161.8 Ų61.80%0.00430%0.302CS..Hα-helixtrans-67.1-32.6172.7-73.1-58.5000112.2F116 Y123 T124 C125 F148 K153 F185 Y186 K191 L192F116-F189 HydrophobicContact CB-CD1 3.88Å; F116-F189 HydrophobicContact CB-CE1 3.77Å; F116-F189 HydrophobicContact CB-CZ 4.49Å; F116-F189 HydrophobicContact CD1-CD1 4.06Å; F116-F189 HydrophobicContact CD1-CD2 4.14Å; F116-F189 AromaticContact CD1-CE1 3.8Å; F116-F189 HydrophobicContact CD1-CE1 3.8Å; F116-F189 AromaticContact CD1-CE2 3.89Å; F116-F189 HydrophobicContact CD1-CE2 3.89Å; F116-F189 HydrophobicContact CD1-CG 4.23Å; F116-F189 AromaticContact CD1-CZ 3.72Å; F116-F189 HydrophobicContact CD1-CZ 3.72Å; F116-F189 HydrophobicContact CE1-CE2 4.41Å; F116-F189 HydrophobicContact CG-CD1 4.47Å; F116-F189 HydrophobicContact CG-CE1 4.3Å; Y123-F189 HydrophobicContact CD1-CB 3.8Å; Y123-F189 AromaticContact CD1-CD1 3.65Å; Y123-F189 HydrophobicContact CD1-CD1 3.65Å; Y123-F189 HydrophobicContact CD1-CD2 4.41Å; Y123-F189 HydrophobicContact CD1-CE1 4.28Å; Y123-F189 AromaticContact CD1-CG 3.71Å; Y123-F189 HydrophobicContact CD1-CG 3.71Å; Y123-F189 HydrophobicContact CE1-CB 4.15Å; Y123-F189 HydrophobicContact CG-CD1 4.31Å; Y123-F189 HydrophobicContact CG-CG 4.43Å; T124-F189 WeakPolarHBondContact O-CE1 3.34Å; C125-F189 HydrophobicContact CB-CZ 4.31Å; F148-F189 HydrophobicContact CD2-CE2 4.01Å; F148-F189 HydrophobicContact CD2-CZ 4.31Å; F148-F189 HydrophobicContact CE2-CE2 4.03Å; F148-F189 HydrophobicContact CE2-CZ 4.42Å; K153-F189 HydrophobicContact CD-CD2 4.33Å; F185-F189 AromaticContact CE1-CE2 3.95Å; F185-F189 HydrophobicContact CE1-CE2 3.95Å; F185-F189 HydrophobicContact CZ-CE2 4.18Å; Y186-F189 HydrophobicContact CD1-CD2 4.29Å; Y186-F189 PolarHBondContact O-N 2.96Å; Y186-F189 VanDerWaalsContact O-N 3.08Å; F189-K191 PolarHBondContact O-N 3.14Å; F189-L192 WeakPolarHBondContact O-CB 3.45Å; F189-L192 PolarHBondContact O-N 2.86Å
190D91.6Very high93.1Very high97 Ų9761.8 Ų61.852%0.51930%0.302SS..Hα-helixtrans-70.3-15.4-179.4-60-28.3000112.6K153 Y186 A187 Q188 L192K153-D190 WeakPolarHBondContact CE-OD1 3.21Å; K153-D190 IonicContact NZ-OD1 2.8Å; K153-D190 PolarHBondContact NZ-OD1 3.34Å; K153-D190 IonicContact NZ-OD2 2.7Å; Y186-D190 PolarHBondContact O-N 3.48Å; A187-D190 PolarHBondContact O-N 2.96Å; Q188-D190 VanDerWaalsContact C-N 3.3Å; Q188-D190 PolarHBondContact O-N 2.76Å; D190-L192 PolarHBondContact O-N 3.35Å
191K89.7Confident93.3Very high74 Ų7455 Ų5532%0.32228%0.277SS..THydrogen-bonded Turntrans-66.7-24.3169.2-64.7175.9177.6179.20112.5Y49 A187 Q188 F189 K193 V199Y49-K191 PolarHBondContact OH-NZ 3.47Å; A187-K191 PolarHBondContact O-N 2.91Å; Q188-K191 WeakPolarHBondContact O-CB 3.3Å; Q188-K191 PolarHBondContact O-N 2.8Å; Q188-K191 VanDerWaalsContact OE1-CE 3.3Å; F189-K191 PolarHBondContact O-N 3.14Å; K191-K193 PolarHBondContact O-N 3.29Å; K191-V199 HydrophobicContact CB-CG2 4.45Å
192L91.1Very high93.5Very high13 Ų1352.7 Ų52.77%0.06826%0.261CS..  trans-80.383175.7-60.5174.6000109.7K118 F189 D190 E194 V199K118-L192 HydrophobicContact CB-CD1 3.73Å; F189-L192 WeakPolarHBondContact O-CB 3.45Å; F189-L192 PolarHBondContact O-N 2.86Å; D190-L192 PolarHBondContact O-N 3.35Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.99Å; L192-V199 HydrophobicContact CD2-CG2 3.52Å; L192-V199 HydrophobicContact CG-CG2 3.89Å
193K78.3Confident93.6Very high200 Ų20048.9 Ų48.987%0.8724%0.241SC*.  trans-64.1-29-174.8-65.7176.6-176.4170.40113.7K191K191-K193 PolarHBondContact O-N 3.29Å
194E79.5Confident93.8Very high95 Ų9542 Ų4244%0.44421%0.212SC..SBendtrans-87179.5-177.3-64.9-170-157.800112.4N67 K118 L192 S196N67-E194 PolarHBondContact ND2-OE1 3.46Å; K118-E194 PolarHBondContact NZ-O 3.29Å; L192-E194 VanDerWaalsContact C-N 3.26Å; L192-E194 PolarHBondContact O-N 2.99Å; E194-S196 PolarHBondContact O-N 3.49Å
195N88Confident93.9Very high143 Ų14338.5 Ų38.577%0.76519%0.193SC*.SBendtrans-69.4-18.5177.6-70.7-26.5000112.8K118K118-N195 WeakPolarHBondContact CE-O 3.27Å
196S95.3Very high93.9Very high30 Ų3040.1 Ų40.121%0.2120%0.201CC..SBendtrans-144.9166.6177590000111.7G68 C69 K118 E194G68-S196 CarbonylContact O-C 3.52Å; G68-S196 WeakPolarHBondContact O-CB 3.41Å; G68-S196 PolarHBondContact O-OG 3.26Å; C69-S196 WeakPolarHBondContact O-CB 3.44Å; K118-S196 WeakPolarHBondContact O-CA 3.42Å; K118-S196 WeakPolarHBondContact O-CB 3.43Å; E194-S196 PolarHBondContact O-N 3.49Å
197G97Very high93.9Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans152.2177.3173.200000112D66 G68 T117 K118D66-G197 VanDerWaalsContact O-CA 3.31Å; D66-G197 WeakPolarHBondContact O-CA 2.99Å; G68-G197 PolarHBondContact O-N 3.47Å; T117-G197 WeakPolarHBondContact CA-O 3.12Å; T117-G197 PolarHBondContact OG1-O 2.71Å; K118-G197 PolarHBondContact N-O 3.03Å; K118-G197 PolarHBondContact O-N 3.05Å; K118-G197 VanDerWaalsContact O-N 3.14Å
198T98.2Very high93.9Very high9 Ų940.3 Ų40.36%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-138.6138.2179.5-51.70000111A65 D66 M71 L115 F116 T117 V200A65-T198 WeakPolarHBondContact CA-O 3.14Å; D66-T198 PolarHBondContact N-O 3.2Å; D66-T198 PolarHBondContact O-N 3.05Å; D66-T198 VanDerWaalsContact O-N 3.12Å; D66-T198 PolarHBondContact OD1-N 3.26Å; D66-T198 WeakPolarHBondContact OD2-CB 3.45Å; M71-T198 HydrophobicContact CE-CG2 3.9Å; L115-T198 HydrophobicContact CD1-CG2 4.04Å; L115-T198 HydrophobicContact CD2-CG2 3.95Å; L115-T198 HydrophobicContact CG-CG2 3.82Å; F116-T198 CarbonylContact O-C 3.42Å; F116-T198 WeakPolarHBondContact O-CA 3.45Å; T117-T198 PolarHBondContact OG1-OG1 3.49Å; T117-T198 VanDerWaalsContact OG1-OG1 3.11Å; T198-V200 HydrophobicContact CG2-CG2 4.02Å
199V97.9Very high93.7Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-116.4123168.2-172.60000108.7F64 A65 L115 F116 K191 L192 I201F64-V199 CarbonylContact O-C 3.59Å; F64-V199 VanDerWaalsContact O-CA 3.24Å; F64-V199 WeakPolarHBondContact O-CA 3.45Å; A65-V199 HydrophobicContact CB-CG1 4.36Å; A65-V199 HydrophobicContact CB-CG2 4Å; L115-V199 CarbonylContact C-O 3.53Å; L115-V199 WeakPolarHBondContact CA-O 3.34Å; F116-V199 HydrophobicContact CB-CB 4.39Å; F116-V199 PolarHBondContact N-O 3.13Å; F116-V199 PolarHBondContact O-N 3.21Å; K191-V199 HydrophobicContact CB-CG2 4.45Å; L192-V199 HydrophobicContact CD2-CG2 3.52Å; L192-V199 HydrophobicContact CG-CG2 3.89Å; V199-I201 HydrophobicContact CG1-CD1 4.13Å; V199-I201 HydrophobicContact CG1-CG1 3.86Å
200V98.3Very high93.5Very high11 Ų1153.3 Ų53.37%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-111.1125.4176.3-176.50000107.6L34 C63 F64 L102 L113 L115 T198L34-V200 HydrophobicContact CD2-CB 4.49Å; L34-V200 HydrophobicContact CD2-CG1 3.79Å; C63-V200 CarbonylContact C-O 3.52Å; C63-V200 WeakPolarHBondContact CA-O 3.41Å; F64-V200 HydrophobicContact CB-CB 4.21Å; F64-V200 PolarHBondContact N-O 3.35Å; F64-V200 PolarHBondContact O-N 3.47Å; L102-V200 HydrophobicContact CD1-CG1 4.13Å; L113-V200 HydrophobicContact CD1-CB 4.45Å; L113-V200 HydrophobicContact CD1-CG1 3.23Å; L115-V200 HydrophobicContact CD1-CG2 3.98Å; L115-V200 HydrophobicContact CG-CG2 4.23Å; T198-V200 HydrophobicContact CG2-CG2 4.02Å
201I98.4Very high93.4Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-124.3110.3-176.3-54.2-178.6000108.3L61 L62 L113 V114 F116 F179 Q188 V199L61-I201 HydrophobicContact CB-CG2 4.01Å; L61-I201 HydrophobicContact CD1-CG2 4.3Å; L62-I201 WeakPolarHBondContact O-CA 3.45Å; L113-I201 WeakPolarHBondContact CA-O 3.39Å; V114-I201 PolarHBondContact N-O 2.96Å; V114-I201 PolarHBondContact O-N 2.66Å; F116-I201 HydrophobicContact CD2-CD1 4.27Å; F116-I201 HydrophobicContact CE2-CD1 4.03Å; F179-I201 HydrophobicContact CE2-CD1 4.13Å; F179-I201 HydrophobicContact CZ-CD1 3.58Å; Q188-I201 HydrophobicContact CG-CD1 4.32Å; V199-I201 HydrophobicContact CG1-CD1 4.13Å; V199-I201 HydrophobicContact CG1-CG1 3.86Å
202I98.6Very high93.6Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-99.7135.5175.4-54.9170.5000107.9L34 L62 F64 I109 D112 L113 M205L34-I202 HydrophobicContact CD2-CD1 3.71Å; L62-I202 PolarHBondContact N-O 3.31Å; L62-I202 PolarHBondContact O-N 3.34Å; F64-I202 HydrophobicContact CE2-CD1 4.16Å; I109-I202 HydrophobicContact CB-CD1 4.21Å; I109-I202 HydrophobicContact CB-CG2 4.24Å; I109-I202 HydrophobicContact CD1-CD1 3.8Å; I109-I202 HydrophobicContact CG2-CD1 4.34Å; I109-I202 HydrophobicContact CG2-CG2 4.06Å; D112-I202 WeakPolarHBondContact O-CA 3.28Å; L113-I202 HydrophobicContact CD1-CG1 3.99Å; I202-M205 VanDerWaalsContact C-CE 3.42Å; I202-M205 HydrophobicContact CB-CE 4.22Å; I202-M205 HydrophobicContact CG2-CE 3.79Å; I202-M205 WeakPolarHBondContact O-CE 3.47Å
203Y98.4Very high93.8Very high4 Ų449.1 Ų49.12%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-143.9176.6179.170-79.4000111.1V56 L61 N111 D112 V114 F127 Y176 S177 P178V56-Y203 HydrophobicContact CB-CD2 4.4Å; V56-Y203 HydrophobicContact CG1-CD2 3.87Å; L61-Y203 HydrophobicContact CD2-CG 4.11Å; N111-Y203 PolarHBondContact N-O 3.16Å; D112-Y203 HydrophobicContact CB-CD1 3.88Å; D112-Y203 HydrophobicContact CB-CD2 4.16Å; D112-Y203 HydrophobicContact CB-CE1 3.33Å; D112-Y203 HydrophobicContact CB-CE2 3.67Å; D112-Y203 HydrophobicContact CB-CG 4.25Å; D112-Y203 WeakPolarHBondContact CB-OH 3.49Å; D112-Y203 PolarHBondContact N-O 3.28Å; D112-Y203 PolarHBondContact O-N 3.09Å; V114-Y203 HydrophobicContact CG2-CD1 4.39Å; V114-Y203 HydrophobicContact CG2-CE1 3.73Å; F127-Y203 HydrophobicContact CE2-CE1 4.37Å; F127-Y203 VanDerWaalsContact CE2-OH 3.24Å; F127-Y203 WeakPolarHBondContact CE2-OH 3.41Å; F127-Y203 WeakPolarHBondContact CZ-OH 3.45Å; Y176-Y203 PolarHBondContact O-OH 2.99Å; Y176-Y203 VanDerWaalsContact O-OH 3.07Å; S177-Y203 WeakPolarHBondContact CA-OH 3.18Å; P178-Y203 HydrophobicContact CG-CD1 3.88Å; P178-Y203 HydrophobicContact CG-CD2 3.71Å; P178-Y203 HydrophobicContact CG-CE1 4.04Å; P178-Y203 HydrophobicContact CG-CE2 3.87Å; P178-Y203 HydrophobicContact CG-CG 3.72Å
204N97.9Very high94.6Very high23 Ų2341.5 Ų41.512%0.12323%0.23CC..EExtended strand (participates in β ladder)trans5565.3-168-70.1-26.3000111.1R57 G110 N111 D112R57-N204 HydrophobicContact CB-CB 4.08Å; R57-N204 PolarHBondContact N-OD1 3.26Å; R57-N204 CarbonylContact O-C 3.06Å; R57-N204 WeakPolarHBondContact O-CA 3.31Å; G110-N204 CarbonylContact C-O 3.48Å; G110-N204 WeakPolarHBondContact CA-O 3.46Å; N111-N204 HydrophobicContact CB-CB 4.04Å; N111-N204 PolarHBondContact N-O 3.32Å; D112-N204 WeakPolarHBondContact OD2-CB 3.44Å; D112-N204 PolarHBondContact OD2-ND2 3.11Å
205M97.9Very high95.4Very high3 Ų337.3 Ų37.32%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-58.7150-174.4-61.2-65.7106.900111.8R57 F60 L62 I109 I202R57-M205 WeakPolarHBondContact CD-O 3.37Å; R57-M205 PolarHBondContact NE-O 2.86Å; R57-M205 PolarHBondContact O-N 3.47Å; F60-M205 HydrophobicContact CD2-CG 4.35Å; F60-M205 HydrophobicContact CD2-SD 4.49Å; F60-M205 HydrophobicContact CE1-CG 4.11Å; F60-M205 HydrophobicContact CE2-CG 3.77Å; F60-M205 HydrophobicContact CE2-SD 3.7Å; F60-M205 HydrophobicContact CZ-CG 3.62Å; F60-M205 HydrophobicContact CZ-SD 3.97Å; L62-M205 HydrophobicContact CB-CE 4.35Å; L62-M205 HydrophobicContact CB-SD 4.48Å; I109-M205 HydrophobicContact CG2-CE 4.44Å; I109-M205 HydrophobicContact CG2-SD 3.97Å; I202-M205 VanDerWaalsContact C-CE 3.42Å; I202-M205 HydrophobicContact CB-CE 4.22Å; I202-M205 HydrophobicContact CG2-CE 3.79Å; I202-M205 WeakPolarHBondContact O-CE 3.47Å
206K96.1Very high95.7Very high35 Ų3531.3 Ų31.315%0.15218%0.179CC..  trans-64.6142.6165.4-60.1-54.5-176.1178.50110.2M107 R108 I109 N111 E214M107-K206 WeakPolarHBondContact O-CE 3.4Å; R108-K206 WeakPolarHBondContact O-CG 3.37Å; I109-K206 PolarHBondContact O-N 3.29Å; I109-K206 VanDerWaalsContact O-N 3.15Å; N111-K206 PolarHBondContact OD1-NZ 3.46Å; K206-E214 HydrophobicContact CB-CG 4.47Å; K206-E214 WeakPolarHBondContact CB-OE2 3.21Å; K206-E214 PolarHBondContact O-N 3.15Å
207L95.4Very high95.7Very high52 Ų5231 Ų3127%0.27218%0.176SC..BIsolated β-bridgetrans-118.9148-178.2-52.8177.7000109.2R57 G212 P213R57-L207 HydrophobicContact CG-CD1 3.74Å; R57-L207 HydrophobicContact CG-CD2 4.31Å; R57-L207 HydrophobicContact CG-CG 4.04Å; R57-L207 VanDerWaalsContact NE-CD1 3.27Å; L207-G212 CarbonylContact C-O 3.55Å; L207-G212 VanDerWaalsContact CA-O 3.26Å; L207-G212 WeakPolarHBondContact CA-O 3.4Å; L207-P213 HydrophobicContact CD2-CB 4.24Å
208L93.7Very high95.6Very high43 Ų4336 Ų3623%0.22521%0.206CC..  trans-73.9169.6166.7-63.9170.6000110.3H210 G211 G212 E214L208-H210 WeakPolarHBondContact CD1-NE2 3.38Å; L208-H210 PolarHBondContact O-N 2.87Å; L208-G211 WeakPolarHBondContact O-CA 3.41Å; L208-G211 PolarHBondContact O-N 3.26Å; L208-G212 PolarHBondContact N-O 3.29Å; L208-E214 HydrophobicContact CD2-CG 3.87Å; L208-E214 HydrophobicContact CG-CG 4.05Å
209D91.3Very high95.4Very high169 Ų16940.4 Ų40.490%0.90423%0.233SC*.THydrogen-bonded Turntrans-61.2-32.1-177.7-64.7-23.4000113.3G211D209-G211 PolarHBondContact O-N 3.36Å; D209-G211 VanDerWaalsContact O-N 3.16Å
210H89.8Confident95.2Very high119 Ų11943.2 Ų43.255%0.55125%0.248SC*.THydrogen-bonded Turntrans-76.310.5173.37175.1000113.3L208 G212L208-H210 WeakPolarHBondContact CD1-NE2 3.38Å; L208-H210 PolarHBondContact O-N 2.87Å; H210-G212 VanDerWaalsContact C-N 3.26Å; H210-G212 PolarHBondContact ND1-N 3.45Å; H210-G212 PolarHBondContact O-N 3.47Å
211G90.9Very high95Very high46 Ų4647.1 Ų47.147%0.47427%0.274SS..SBendtrans78.5-7.2176.100000116L208 D209L208-G211 WeakPolarHBondContact O-CA 3.41Å; L208-G211 PolarHBondContact O-N 3.26Å; D209-G211 PolarHBondContact O-N 3.36Å; D209-G211 VanDerWaalsContact O-N 3.16Å
212G92.6Very high94.8Very high15 Ų1553.9 Ų53.916%0.15530%0.299CS..  trans-79.5154.9176.500000112.7L207 L208 H210L207-G212 CarbonylContact C-O 3.55Å; L207-G212 VanDerWaalsContact CA-O 3.26Å; L207-G212 WeakPolarHBondContact CA-O 3.4Å; L208-G212 PolarHBondContact N-O 3.29Å; H210-G212 VanDerWaalsContact C-N 3.26Å; H210-G212 PolarHBondContact ND1-N 3.45Å; H210-G212 PolarHBondContact O-N 3.47Å
213P95.2Very high94.8Very high34 Ų3454.1 Ų54.122%0.22130%0.301CS..BIsolated β-bridgetrans-66.8147.4176.329.1-34.6000111.7F60 L207 L215 S227F60-P213 HydrophobicContact CE1-CB 3.95Å; F60-P213 HydrophobicContact CE1-CG 3.99Å; F60-P213 HydrophobicContact CZ-CB 4.38Å; L207-P213 HydrophobicContact CD2-CB 4.24Å; P213-L215 PolarHBondContact O-N 3.48Å; P213-S227 PolarHBondContact O-OG 3.34Å
214E95.6Very high94.7Very high41 Ų4154 Ų5419%0.19230%0.3CS..SBendtrans-62.8-23.5173.7-67.9-177.897.800112.7L27 R108 K206 L208 S227L27-E214 HydrophobicContact CD2-CB 3.82Å; R108-E214 IonicContact CZ-OE1 2.64Å; R108-E214 IonicContact CZ-OE2 3.37Å; R108-E214 IonicContact NH1-OE1 3.67Å; R108-E214 PolarHBondContact NH1-OE1 3.3Å; R108-E214 IonicContact NH1-OE2 3.14Å; R108-E214 PolarHBondContact NH1-OE2 3.43Å; R108-E214 IonicContact NH2-OE1 3.61Å; R108-E214 PolarHBondContact NH2-OE1 3.45Å; R108-E214 IonicContact NH2-OE2 3.83Å; K206-E214 HydrophobicContact CB-CG 4.47Å; K206-E214 WeakPolarHBondContact CB-OE2 3.21Å; K206-E214 PolarHBondContact O-N 3.15Å; L208-E214 HydrophobicContact CD2-CG 3.87Å; L208-E214 HydrophobicContact CG-CG 4.05Å; E214-S227 PolarHBondContact O-N 3.15Å; E214-S227 PolarHBondContact O-OG 2.85Å
215L96.6Very high94.6Very high6 Ų653.8 Ų53.83%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-101115.5176.2-62.6176.6000110.3L27 F28 I31 F60 L62 I109 P213 I224 L225 L226L27-L215 HydrophobicContact CD2-CD2 3.46Å; L27-L215 VanDerWaalsContact CD2-CD2 3.46Å; L27-L215 HydrophobicContact CD2-CG 3.87Å; L27-L215 HydrophobicContact CG-CD2 4.13Å; F28-L215 HydrophobicContact CE1-CD2 4.17Å; I31-L215 HydrophobicContact CD1-CD1 4.38Å; I31-L215 HydrophobicContact CD1-CD2 4.31Å; F60-L215 HydrophobicContact CZ-CB 4.19Å; L62-L215 HydrophobicContact CD2-CD1 4.13Å; I109-L215 HydrophobicContact CG2-CD1 4.25Å; P213-L215 PolarHBondContact O-N 3.48Å; L215-I224 HydrophobicContact CB-CG2 3.98Å; L215-I224 HydrophobicContact CD1-CG2 4.33Å; L215-I224 HydrophobicContact CD2-CG2 3.89Å; L215-I224 HydrophobicContact CG-CG2 4.28Å; L215-L225 CarbonylContact C-O 3.4Å; L215-L225 WeakPolarHBondContact CA-O 3.34Å; L215-L226 HydrophobicContact CD2-CD2 4.05Å
216D95.2Very high94.4Very high17 Ų1754.4 Ų54.49%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-85.6112.5171.3171.19.2000110T218 T219 L225 S227D216-T218 PolarHBondContact OD1-N 2.72Å; D216-T218 PolarHBondContact OD1-OG1 2.78Å; D216-T218 VanDerWaalsContact OD1-OG1 3.13Å; D216-T219 PolarHBondContact OD1-N 2.68Å; D216-T219 PolarHBondContact OD1-OG1 3.4Å; D216-T219 WeakPolarHBondContact OD2-CB 3.29Å; D216-T219 PolarHBondContact OD2-OG1 3.26Å; D216-L225 HydrophobicContact CB-CB 4.16Å; D216-L225 PolarHBondContact N-O 3.32Å; D216-L225 PolarHBondContact O-N 3.25Å; D216-S227 PolarHBondContact N-OG 3.35Å
217V95.4Very high94.2Very high24 Ų2453.7 Ų53.715%0.14530%0.302CS..  trans-1105.7-178.2-56.40000112.1T50 F60 I224T50-V217 HydrophobicContact CG2-CB 4.4Å; T50-V217 HydrophobicContact CG2-CG1 3.88Å; F60-V217 HydrophobicContact CD1-CG2 3.98Å; F60-V217 HydrophobicContact CE1-CG1 4.24Å; F60-V217 HydrophobicContact CE1-CG2 4.06Å; F60-V217 HydrophobicContact CE2-CG1 4.12Å; F60-V217 HydrophobicContact CG-CG2 4.44Å; F60-V217 HydrophobicContact CZ-CG1 3.93Å; V217-I224 HydrophobicContact CG1-CG1 4.32Å; V217-I224 HydrophobicContact CG1-CG2 4.19Å
218T94.4Very high93.2Very high105 Ų10555.3 Ų55.364%0.64432%0.315SS*.SBendtrans-112.8-41-170.459.40000112.4D216 N220D216-T218 PolarHBondContact OD1-N 2.72Å; D216-T218 PolarHBondContact OD1-OG1 2.78Å; D216-T218 VanDerWaalsContact OD1-OG1 3.13Å; T218-N220 VanDerWaalsContact C-N 3.29Å; T218-N220 PolarHBondContact O-N 2.7Å
219T93.9Very high91.8Very high102 Ų10254.7 Ų54.763%0.62632%0.319SS*.SBendtrans-58.1-42.1-177.8-64.50000112.3D216 L225D216-T219 PolarHBondContact OD1-N 2.68Å; D216-T219 PolarHBondContact OD1-OG1 3.4Å; D216-T219 WeakPolarHBondContact OD2-CB 3.29Å; D216-T219 PolarHBondContact OD2-OG1 3.26Å; T219-L225 HydrophobicContact CG2-CD1 4.12Å
220N93.8Very high89.6Confident58 Ų5851.4 Ų51.431%0.3131%0.31SS..  trans-125.6106172.5-175.5-9.5000109.8T218 R222 D223 L225T218-N220 VanDerWaalsContact C-N 3.29Å; T218-N220 PolarHBondContact O-N 2.7Å; N220-R222 PolarHBondContact O-N 3.38Å; N220-R222 PolarHBondContact OD1-N 2.73Å; N220-D223 HydrophobicContact CB-CB 3.93Å; N220-D223 PolarHBondContact O-N 2.94Å; N220-D223 VanDerWaalsContact O-O 3.12Å; N220-L225 HydrophobicContact CB-CD1 4.38Å
221P94.5Very high87.6Confident94 Ų9453.2 Ų53.261%0.6132%0.318SS*.THydrogen-bonded Turntrans-67.5-5.9-177.328.5-36.3000113.7Q269P221-Q269 VanDerWaalsContact O-CB 3.22Å; P221-Q269 WeakPolarHBondContact O-CB 3.21Å
222R94.4Very high85.6Confident141 Ų14155.3 Ų55.353%0.53232%0.316SS..THydrogen-bonded Turntrans-104.56.5174.7-58.5-179.2-178.2168.73.4112.1N220 R252 R271N220-R222 PolarHBondContact O-N 3.38Å; N220-R222 PolarHBondContact OD1-N 2.73Å; R222-R252 PolarHBondContact O-NE 2.9Å; R222-R252 PolarHBondContact O-NH2 2.81Å; R222-R271 HydrophobicContact CG-CG 4.27Å
223D97Very high83Confident6 Ų662 Ų623%0.03234%0.343CS..  trans-139174.7-177.2-150.4-12.3000110.6N220 L225 S250 L251 R252 L268N220-D223 HydrophobicContact CB-CB 3.93Å; N220-D223 PolarHBondContact O-N 2.94Å; N220-D223 VanDerWaalsContact O-O 3.12Å; D223-L225 HydrophobicContact CB-CD2 4.17Å; D223-S250 WeakPolarHBondContact OD2-CB 3.44Å; D223-S250 PolarHBondContact OD2-OG 2.95Å; D223-L251 PolarHBondContact OD1-N 3.47Å; D223-R252 WeakPolarHBondContact OD1-CB 3.31Å; D223-R252 PolarHBondContact OD1-N 3.19Å; D223-L268 WeakPolarHBondContact OD1-CD2 3.49Å
224I97.6Very high80.3Confident0 Ų067.8 Ų67.80%037%0.367CS..  trans-127.8114.7163.5-60.1-179.6000104.9I48 T50 L62 L215 V217 L251 L268I48-I224 HydrophobicContact CG2-CD1 4.37Å; T50-I224 HydrophobicContact CG2-CD1 4.18Å; L62-I224 HydrophobicContact CD1-CD1 3.64Å; L215-I224 HydrophobicContact CB-CG2 3.98Å; L215-I224 HydrophobicContact CD1-CG2 4.33Å; L215-I224 HydrophobicContact CD2-CG2 3.89Å; L215-I224 HydrophobicContact CG-CG2 4.28Å; V217-I224 HydrophobicContact CG1-CG1 4.32Å; V217-I224 HydrophobicContact CG1-CG2 4.19Å; I224-L251 HydrophobicContact CB-CB 4.2Å; I224-L251 HydrophobicContact CB-CD2 4.02Å; I224-L251 HydrophobicContact CD1-CD2 4.19Å; I224-L251 WeakPolarHBondContact O-CB 3.42Å; I224-L251 PolarHBondContact O-N 3.42Å; I224-L268 HydrophobicContact CD1-CD1 3.78Å; I224-L268 HydrophobicContact CG1-CD1 3.97Å
225L95.9Very high77.7Confident20 Ų2072.4 Ų72.411%0.10540%0.399CS..EExtended strand (participates in β ladder)trans-98.5156.3-178.9-56.2-179.9000109.8L215 D216 T219 N220 D223 R249L215-L225 CarbonylContact C-O 3.4Å; L215-L225 WeakPolarHBondContact CA-O 3.34Å; D216-L225 HydrophobicContact CB-CB 4.16Å; D216-L225 PolarHBondContact N-O 3.32Å; D216-L225 PolarHBondContact O-N 3.25Å; T219-L225 HydrophobicContact CG2-CD1 4.12Å; N220-L225 HydrophobicContact CB-CD1 4.38Å; D223-L225 HydrophobicContact CB-CD2 4.17Å; L225-R249 CarbonylContact C-O 3.44Å; L225-R249 VanDerWaalsContact CA-O 3.23Å; L225-R249 WeakPolarHBondContact CA-O 3.45Å
226L93.7Very high74.9Confident16 Ų1673.8 Ų73.88%0.08441%0.407CS..EExtended strand (participates in β ladder)trans-73.6130.3158.4-63.1-176.2000108.7F26 L27 F28 L215 R248 R249F26-L226 HydrophobicContact CE2-CD1 4.45Å; L27-L226 HydrophobicContact CB-CD2 4.03Å; L27-L226 HydrophobicContact CD2-CD2 3.85Å; L27-L226 HydrophobicContact CG-CD2 4.3Å; F28-L226 HydrophobicContact CD1-CD2 3.97Å; F28-L226 HydrophobicContact CD1-CG 4.46Å; F28-L226 HydrophobicContact CE1-CD2 3.52Å; F28-L226 HydrophobicContact CE1-CG 3.85Å; F28-L226 HydrophobicContact CE2-CG 4.15Å; F28-L226 HydrophobicContact CZ-CD2 3.91Å; F28-L226 HydrophobicContact CZ-CG 3.68Å; L215-L226 HydrophobicContact CD2-CD2 4.05Å; L226-R248 VanDerWaalsContact CD1-O 3.29Å; L226-R248 WeakPolarHBondContact CD1-O 3.5Å; L226-R249 PolarHBondContact N-O 3.09Å
227S90.7Very high72.2Confident19 Ų1980.5 Ų80.513%0.13344%0.438CS..PPolyproline II helixtrans-58.9140.9169-66.40000109P213 E214 D216 G229P213-S227 PolarHBondContact O-OG 3.34Å; E214-S227 PolarHBondContact O-N 3.15Å; E214-S227 PolarHBondContact O-OG 2.85Å; D216-S227 PolarHBondContact N-OG 3.35Å; S227-G229 PolarHBondContact O-N 3.1Å
228P76Confident69.5Low86 Ų8685.5 Ų85.556%0.55847%0.471SS*.  trans-62111.4174.725.4-30.9000108.8
229G62.7Low67Low30 Ų3088.4 Ų88.431%0.30948%0.482SS..  trans-85.1158.4173.500000111.3S227 E231S227-G229 PolarHBondContact O-N 3.1Å; G229-E231 PolarHBondContact O-N 3.03Å
230S44.9Very low64.5Low100 Ų10085.2 Ų85.270%0.69947%0.467SS*.THydrogen-bonded Turntrans-63-21.9173.939.90000113.6
231E49.1Very low62Low157 Ų15792.1 Ų92.173%0.73450%0.497SS*.THydrogen-bonded Turntrans-98.8-6.5-170.9-63.1178.3175.500114.6G229 E233G229-E231 PolarHBondContact O-N 3.03Å; E231-E233 PolarHBondContact O-N 3.42Å
232Q47.9Very low59.8Low90 Ų9091.2 Ų91.242%0.42149%0.49SS..THydrogen-bonded Turntrans-80.9-0.8179-77.4-173.55.800114
233E38.7Very low57.9Low157 Ų15790 Ų9073%0.73449%0.492SS*.THydrogen-bonded Turntrans-81.1-23.6173.4-76-176.7161.200112.9E231 T235 V236E231-E233 PolarHBondContact O-N 3.42Å; E233-T235 PolarHBondContact O-N 3.15Å; E233-V236 PolarHBondContact O-N 2.88Å; E233-V236 VanDerWaalsContact O-N 3.12Å
234E39Very low56.2Low155 Ų15592.3 Ų92.372%0.72450%0.504SS*.THydrogen-bonded Turntrans-77.2-13.7-165.6-73.5-176.116300116.2
235T40.1Very low55.5Low138 Ų13893.6 Ų93.685%0.84751%0.512SS*.THydrogen-bonded Turntrans-101.714.917149.80000113.3E233E233-T235 PolarHBondContact O-N 3.15Å
236V38.6Very low55.2Low35 Ų3595 Ų9521%0.21252%0.522CS..SBendtrans-121.4112.2-175.9-175.90000108.7E233 A240 V242E233-V236 PolarHBondContact O-N 2.88Å; E233-V236 VanDerWaalsContact O-N 3.12Å; V236-A240 HydrophobicContact CG1-CB 3.79Å; V236-V242 HydrophobicContact CB-CG2 4.13Å; V236-V242 HydrophobicContact CG1-CB 4.41Å; V236-V242 HydrophobicContact CG1-CG1 4.26Å; V236-V242 HydrophobicContact CG1-CG2 3.3Å; V236-V242 HydrophobicContact CG2-CG1 4.04Å; V236-V242 HydrophobicContact CG2-CG2 3.97Å
237E39Very low55.3Low157 Ų15794.9 Ų94.973%0.73452%0.521SS*.  trans-35.8128164.8-70.9-77.4155.100111.3D239 A240E237-D239 PolarHBondContact O-N 2.83Å; E237-A240 PolarHBondContact O-N 3.32Å
238P37.5Very low55.3Low129 Ų12999.3 Ų99.384%0.83854%0.535SS*.THydrogen-bonded Turntrans-54.7-10.8-169.3-2732.1000117
239D41.7Very low56Low166 Ų166100.1 Ų100.189%0.88853%0.527SS*.THydrogen-bonded Turntrans-108.47.3-176.8-73.8-23.2000114.5E237E237-D239 PolarHBondContact O-N 2.83Å
240A41.7Very low57.6Low36 Ų3699.5 Ų99.530%0.29852%0.518SS..  trans-98.8105.5-179.700000111.9V236 E237 V242V236-A240 HydrophobicContact CG1-CB 3.79Å; E237-A240 PolarHBondContact O-N 3.32Å; A240-V242 VanDerWaalsContact C-N 3.3Å; A240-V242 WeakPolarHBondContact O-CG2 3.24Å; A240-V242 PolarHBondContact O-N 3.06Å
241E42.3Very low60.1Low202 Ų20294.8 Ų94.894%0.94449%0.485SS*.  trans-59.697.1156.9-78.6179.4160.400108.2M243E241-M243 PolarHBondContact O-N 3.39Å; E241-M243 VanDerWaalsContact O-N 3.08Å
242V47.1Very low62.4Low76 Ų7689.7 Ų89.746%0.46146%0.459SS..  trans-70.6101.9-161.3-156.90000111.7V236 A240 L244V236-V242 HydrophobicContact CB-CG2 4.13Å; V236-V242 HydrophobicContact CG1-CB 4.41Å; V236-V242 HydrophobicContact CG1-CG1 4.26Å; V236-V242 HydrophobicContact CG1-CG2 3.3Å; V236-V242 HydrophobicContact CG2-CG1 4.04Å; V236-V242 HydrophobicContact CG2-CG2 3.97Å; A240-V242 VanDerWaalsContact C-N 3.3Å; A240-V242 WeakPolarHBondContact O-CG2 3.24Å; A240-V242 PolarHBondContact O-N 3.06Å; V242-L244 HydrophobicContact CB-CG 4.43Å; V242-L244 HydrophobicContact CG1-CB 4.41Å; V242-L244 HydrophobicContact CG1-CD2 3.67Å; V242-L244 HydrophobicContact CG1-CG 3.53Å; V242-L244 PolarHBondContact O-N 2.85Å; V242-L244 VanDerWaalsContact O-N 3.08Å
243M54.1Low64.7Low116 Ų11686.2 Ų86.257%0.57145%0.445SS*.  trans-80.878.6154.6-159-174167.400108.1E241E241-M243 PolarHBondContact O-N 3.39Å; E241-M243 VanDerWaalsContact O-N 3.08Å
244L62.1Low67.5Low54 Ų5478.8 Ų78.828%0.28341%0.41SS..  trans-51.4148.4164.5-74173.6000107.9V242 P246V242-L244 HydrophobicContact CB-CG 4.43Å; V242-L244 HydrophobicContact CG1-CB 4.41Å; V242-L244 HydrophobicContact CG1-CD2 3.67Å; V242-L244 HydrophobicContact CG1-CG 3.53Å; V242-L244 PolarHBondContact O-N 2.85Å; V242-L244 VanDerWaalsContact O-N 3.08Å; L244-P246 VanDerWaalsContact O-N 3.11Å
245P82.9Confident70.3Confident27 Ų2771.6 Ų71.618%0.17538%0.377CS..  trans-50127165.3-20.529.8000108.5E247 R248 Y405P245-E247 PolarHBondContact O-N 2.74Å; P245-R248 PolarHBondContact O-N 3.11Å; P245-Y405 HydrophobicContact CB-CD2 3.66Å; P245-Y405 HydrophobicContact CB-CE1 4.3Å; P245-Y405 HydrophobicContact CB-CE2 3.2Å; P245-Y405 HydrophobicContact CB-CG 4.36Å; P245-Y405 HydrophobicContact CG-CD2 3.83Å; P245-Y405 HydrophobicContact CG-CE2 3.91Å; P245-Y405 HydrophobicContact CG-CG 4.18Å
246P90.7Very high73Confident50 Ų5065.3 Ų65.333%0.32534%0.339SS..G310 helixtrans-57.5-26.9-167.820.6-32.1000112.1L244 R248 R249 S250 A253L244-P246 VanDerWaalsContact O-N 3.11Å; P246-R248 PolarHBondContact O-N 2.83Å; P246-R249 PolarHBondContact O-N 3.04Å; P246-R249 VanDerWaalsContact O-N 3.13Å; P246-S250 WeakPolarHBondContact O-CB 3.36Å; P246-S250 PolarHBondContact O-N 2.98Å; P246-A253 HydrophobicContact CB-CB 3.87Å; P246-A253 HydrophobicContact CG-CB 4.34Å
247E94Very high75.8Confident12 Ų1263.7 Ų63.76%0.05633%0.329CS..G310 helixtrans-65.4-17.2177.5-60.182.1-168.600114.7P245 A253 Y254 I257 M404 Y405P245-E247 PolarHBondContact O-N 2.74Å; E247-A253 HydrophobicContact CG-CB 3.97Å; E247-Y254 HydrophobicContact CB-CD2 4.39Å; E247-I257 HydrophobicContact CB-CD1 4.4Å; E247-I257 HydrophobicContact CG-CD1 3.65Å; E247-I257 HydrophobicContact CG-CG1 3.93Å; E247-M404 HydrophobicContact CB-SD 3.95Å; E247-Y405 VanDerWaalsContact CD-OH 3.28Å; E247-Y405 WeakPolarHBondContact OE2-CE2 3.34Å; E247-Y405 PolarHBondContact OE2-OH 2.82Å
248R91.1Very high78.6Confident113 Ų11356.2 Ų56.243%0.42629%0.294SS..G310 helixtrans-80.5-17.1174-69.7-170.6175.5-93.20.9113.2L226 P245 P246L226-R248 VanDerWaalsContact CD1-O 3.29Å; L226-R248 WeakPolarHBondContact CD1-O 3.5Å; P245-R248 PolarHBondContact O-N 3.11Å; P246-R248 PolarHBondContact O-N 2.83Å
249R91.6Very high81.5Confident102 Ų10250.8 Ų50.839%0.38526%0.257SS..THydrogen-bonded Turntrans-123.4-34.5-176.8-175.1173.7178.9151.80.1114F28 L225 L226 P246F28-R249 WeakPolarHBondContact CZ-O 3.35Å; L225-R249 CarbonylContact C-O 3.44Å; L225-R249 VanDerWaalsContact CA-O 3.23Å; L225-R249 WeakPolarHBondContact CA-O 3.45Å; L226-R249 PolarHBondContact N-O 3.09Å; P246-R249 PolarHBondContact O-N 3.04Å; P246-R249 VanDerWaalsContact O-N 3.13Å
250S95.4Very high84Confident18 Ų1844.5 Ų44.513%0.12623%0.226CC..BIsolated β-bridgetrans-100.9119.5-179.1162.80000110.9F28 D223 P246 R252 A253 Y254F28-S250 VanDerWaalsContact CE2-C 3.43Å; D223-S250 WeakPolarHBondContact OD2-CB 3.44Å; D223-S250 PolarHBondContact OD2-OG 2.95Å; P246-S250 WeakPolarHBondContact O-CB 3.36Å; P246-S250 PolarHBondContact O-N 2.98Å; S250-R252 VanDerWaalsContact C-N 3.28Å; S250-R252 PolarHBondContact O-N 2.82Å; S250-R252 PolarHBondContact OG-N 3.39Å; S250-A253 PolarHBondContact O-N 2.97Å; S250-A253 PolarHBondContact OG-N 3.02Å; S250-Y254 PolarHBondContact O-N 3.47Å
251L97.8Very high86.4Confident0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-63.7-39175.8-17862.2000110.5F28 I31 D223 I224 A253 Y254 V255 L268F28-L251 HydrophobicContact CB-CD1 4.27Å; F28-L251 HydrophobicContact CD1-CB 4.38Å; F28-L251 HydrophobicContact CD1-CD1 3.86Å; F28-L251 HydrophobicContact CD2-CD1 4.34Å; F28-L251 HydrophobicContact CE1-CB 3.86Å; F28-L251 HydrophobicContact CE1-CD1 4.21Å; F28-L251 HydrophobicContact CE2-CB 4.16Å; F28-L251 VanDerWaalsContact CE2-N 3.33Å; F28-L251 HydrophobicContact CG-CD1 3.92Å; F28-L251 HydrophobicContact CZ-CB 3.73Å; F28-L251 VanDerWaalsContact CZ-N 3.32Å; I31-L251 HydrophobicContact CB-CD1 4.43Å; I31-L251 HydrophobicContact CD1-CD1 4.27Å; I31-L251 HydrophobicContact CD1-CD2 3.97Å; I31-L251 HydrophobicContact CG2-CD1 3.92Å; I31-L251 HydrophobicContact CG2-CD2 4.09Å; D223-L251 PolarHBondContact OD1-N 3.47Å; I224-L251 HydrophobicContact CB-CB 4.2Å; I224-L251 HydrophobicContact CB-CD2 4.02Å; I224-L251 HydrophobicContact CD1-CD2 4.19Å; I224-L251 WeakPolarHBondContact O-CB 3.42Å; I224-L251 PolarHBondContact O-N 3.42Å; L251-A253 VanDerWaalsContact C-N 3.3Å; L251-A253 PolarHBondContact O-N 3.41Å; L251-Y254 HydrophobicContact CD1-CD1 4.29Å; L251-Y254 PolarHBondContact O-N 2.82Å; L251-V255 HydrophobicContact CD1-CG2 3.84Å; L251-V255 HydrophobicContact CG-CG2 4.04Å; L251-V255 WeakPolarHBondContact O-CB 3.44Å; L251-V255 VanDerWaalsContact O-CG2 3.26Å; L251-V255 WeakPolarHBondContact O-CG2 3.38Å; L251-V255 PolarHBondContact O-N 2.93Å; L251-L268 HydrophobicContact CB-CD2 4.24Å; L251-L268 HydrophobicContact CD2-CD1 3.93Å; L251-L268 HydrophobicContact CD2-CD2 4.36Å; L251-L268 HydrophobicContact CG-CD2 4.34Å
252R97.5Very high89Confident51 Ų5136 Ų3619%0.19218%0.182CC..Hα-helixtrans-55.2-45.3174179.3172-70.7-74.4-6.2112R222 D223 S250 S256 L268 R271 K272 V273R222-R252 PolarHBondContact O-NE 2.9Å; R222-R252 PolarHBondContact O-NH2 2.81Å; D223-R252 WeakPolarHBondContact OD1-CB 3.31Å; D223-R252 PolarHBondContact OD1-N 3.19Å; S250-R252 VanDerWaalsContact C-N 3.28Å; S250-R252 PolarHBondContact O-N 2.82Å; S250-R252 PolarHBondContact OG-N 3.39Å; R252-S256 PolarHBondContact O-N 3.31Å; R252-L268 HydrophobicContact CB-CD2 3.91Å; R252-L268 PolarHBondContact NH2-O 3.25Å; R252-R271 PolarHBondContact NH2-O 3.03Å; R252-R271 VanDerWaalsContact NH2-O 3.15Å; R252-K272 PolarHBondContact NH1-O 3.4Å; R252-V273 HydrophobicContact CG-CG1 4.36Å; R252-V273 HydrophobicContact CG-CG2 4.47Å; R252-V273 WeakPolarHBondContact O-CG1 3.34Å
253A96Very high91.2Very high16 Ų1636.7 Ų36.713%0.13218%0.177CC..Hα-helixtrans-65.2-48.2177.400000110.8P246 E247 S250 L251 V255 S256P246-A253 HydrophobicContact CB-CB 3.87Å; P246-A253 HydrophobicContact CG-CB 4.34Å; E247-A253 HydrophobicContact CG-CB 3.97Å; S250-A253 PolarHBondContact O-N 2.97Å; S250-A253 PolarHBondContact OG-N 3.02Å; L251-A253 VanDerWaalsContact C-N 3.3Å; L251-A253 PolarHBondContact O-N 3.41Å; A253-V255 PolarHBondContact O-N 3Å; A253-S256 WeakPolarHBondContact O-CB 3.49Å; A253-S256 PolarHBondContact O-N 3.34Å; A253-S256 VanDerWaalsContact O-N 3.1Å; A253-S256 PolarHBondContact O-OG 3.2Å
254Y97.7Very high93.3Very high1 Ų131.7 Ų31.70%0.00415%0.152CC..Hα-helixtrans-58.8-49.7180180-120.6000112.5F26 F28 A32 E247 S250 L251 S256 I257 L258 R400 L401 M404F26-Y254 HydrophobicContact CE1-CD2 4.31Å; F26-Y254 HydrophobicContact CE1-CE1 4.31Å; F26-Y254 AromaticContact CE1-CE2 3.86Å; F26-Y254 HydrophobicContact CE1-CE2 3.86Å; F26-Y254 AromaticContact CE1-CZ 3.84Å; F26-Y254 HydrophobicContact CZ-CD2 4.46Å; F26-Y254 HydrophobicContact CZ-CE2 4.44Å; F28-Y254 HydrophobicContact CB-CD1 3.68Å; F28-Y254 HydrophobicContact CB-CE1 3.81Å; F28-Y254 HydrophobicContact CB-CG 4.36Å; F28-Y254 HydrophobicContact CD2-CD1 4.35Å; F28-Y254 HydrophobicContact CD2-CG 4.34Å; F28-Y254 HydrophobicContact CG-CD1 4.37Å; A32-Y254 HydrophobicContact CB-CE1 3.91Å; E247-Y254 HydrophobicContact CB-CD2 4.39Å; S250-Y254 PolarHBondContact O-N 3.47Å; L251-Y254 HydrophobicContact CD1-CD1 4.29Å; L251-Y254 PolarHBondContact O-N 2.82Å; Y254-S256 PolarHBondContact O-N 2.82Å; Y254-I257 WeakPolarHBondContact O-CG1 3.43Å; Y254-I257 PolarHBondContact O-N 2.99Å; Y254-I257 VanDerWaalsContact O-N 3.16Å; Y254-L258 HydrophobicContact CE1-CD1 3.81Å; Y254-L258 HydrophobicContact CE2-CD1 4.3Å; Y254-L258 PolarHBondContact O-N 3.11Å; Y254-L258 VanDerWaalsContact O-N 3.08Å; Y254-R400 PolarHBondContact OH-NH1 3.42Å; Y254-R400 VanDerWaalsContact OH-NH1 3.09Å; Y254-L401 HydrophobicContact CE2-CD2 4.21Å; Y254-M404 HydrophobicContact CD2-CE 3.74Å; Y254-M404 HydrophobicContact CD2-SD 4.46Å; Y254-M404 HydrophobicContact CE2-CE 3.54Å
255V98.2Very high94.9Very high4 Ų429.4 Ų29.42%0.02414%0.14CC..Hα-helixtrans-60.3-30.3177.6173.70000111.5I35 L251 A253 I257 L258 V266 V273I35-V255 HydrophobicContact CD1-CG2 3.66Å; L251-V255 HydrophobicContact CD1-CG2 3.84Å; L251-V255 HydrophobicContact CG-CG2 4.04Å; L251-V255 WeakPolarHBondContact O-CB 3.44Å; L251-V255 VanDerWaalsContact O-CG2 3.26Å; L251-V255 WeakPolarHBondContact O-CG2 3.38Å; L251-V255 PolarHBondContact O-N 2.93Å; A253-V255 PolarHBondContact O-N 3Å; V255-I257 PolarHBondContact O-N 3.19Å; V255-L258 PolarHBondContact O-N 2.85Å; V255-V266 HydrophobicContact CG1-CB 3.93Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V255-V266 HydrophobicContact CG1-CG2 4.01Å; V255-V273 HydrophobicContact CB-CG1 4.27Å; V255-V273 HydrophobicContact CG1-CB 4.37Å; V255-V273 HydrophobicContact CG1-CG1 4.04Å; V255-V273 HydrophobicContact CG1-CG2 4.33Å
256S96.8Very high95.6Very high6 Ų628.2 Ų28.24%0.04213%0.132CC..Hα-helixtrans-63.3-25.1-18081.80000114R252 A253 Y254 Q274 T275 K276R252-S256 PolarHBondContact O-N 3.31Å; A253-S256 WeakPolarHBondContact O-CB 3.49Å; A253-S256 PolarHBondContact O-N 3.34Å; A253-S256 VanDerWaalsContact O-N 3.1Å; A253-S256 PolarHBondContact O-OG 3.2Å; Y254-S256 PolarHBondContact O-N 2.82Å; S256-Q274 WeakPolarHBondContact CB-O 3.1Å; S256-T275 CarbonylContact O-C 3.56Å; S256-T275 WeakPolarHBondContact O-CA 3.38Å; S256-K276 PolarHBondContact O-N 3Å
257I97Very high96Very high2 Ų227.7 Ų27.71%0.0112%0.124CC..Hα-helixtrans-119.32.5-178.762156.3000113.4E247 Y254 V255 Y259 L278 F394 Y396 L401E247-I257 HydrophobicContact CB-CD1 4.4Å; E247-I257 HydrophobicContact CG-CD1 3.65Å; E247-I257 HydrophobicContact CG-CG1 3.93Å; Y254-I257 WeakPolarHBondContact O-CG1 3.43Å; Y254-I257 PolarHBondContact O-N 2.99Å; Y254-I257 VanDerWaalsContact O-N 3.16Å; V255-I257 PolarHBondContact O-N 3.19Å; I257-Y259 PolarHBondContact O-N 3.38Å; I257-Y259 VanDerWaalsContact O-N 3.1Å; I257-L278 HydrophobicContact CG2-CD1 4.36Å; I257-F394 HydrophobicContact CD1-CD1 4.09Å; I257-F394 HydrophobicContact CD1-CE1 3.48Å; I257-F394 VanDerWaalsContact CD1-CE1 3.48Å; I257-F394 HydrophobicContact CD1-CZ 4.49Å; I257-Y396 WeakPolarHBondContact O-CE1 3.39Å; I257-Y396 PolarHBondContact O-OH 3.4Å; I257-L401 HydrophobicContact CD1-CD2 3.73Å; I257-L401 HydrophobicContact CG1-CD2 4.1Å
258L98.1Very high96.1Very high0 Ų027.2 Ų27.20%012%0.122CC..SBendtrans-56.3-31.9-173.7-177.261.8000113A32 I35 Y254 V255 R400 L401A32-L258 HydrophobicContact CB-CD1 3.92Å; A32-L258 HydrophobicContact CB-CD2 3.98Å; I35-L258 HydrophobicContact CB-CD2 4.22Å; I35-L258 HydrophobicContact CD1-CD2 4.07Å; I35-L258 HydrophobicContact CG2-CD2 4.01Å; Y254-L258 HydrophobicContact CE1-CD1 3.81Å; Y254-L258 HydrophobicContact CE2-CD1 4.3Å; Y254-L258 PolarHBondContact O-N 3.11Å; Y254-L258 VanDerWaalsContact O-N 3.08Å; V255-L258 PolarHBondContact O-N 2.85Å; L258-R400 VanDerWaalsContact CD1-CZ 3.44Å; L258-L401 WeakPolarHBondContact O-CB 3.35Å; L258-L401 PolarHBondContact O-N 2.97Å
259Y97.5Very high96.4Very high14 Ų1423.6 Ų23.66%0.05511%0.11CC..BIsolated β-bridgetrans-117.6141.2178-56.8-62.9000112I35 D36 R39 I95 I257 D261 P262 Y396 S399I35-Y259 HydrophobicContact CG2-CE2 3.99Å; I35-Y259 WeakPolarHBondContact CG2-OH 3.4Å; I35-Y259 PolarHBondContact O-OH 3.16Å; D36-Y259 WeakPolarHBondContact CA-OH 3.44Å; D36-Y259 PolarHBondContact N-OH 2.75Å; D36-Y259 PolarHBondContact OD1-OH 2.9Å; R39-Y259 VanDerWaalsContact CD-CE1 3.42Å; R39-Y259 VanDerWaalsContact CD-CZ 3.44Å; R39-Y259 VanDerWaalsContact NH1-CB 3.29Å; I95-Y259 HydrophobicContact CD1-CD1 4.21Å; I95-Y259 HydrophobicContact CD1-CE1 3.54Å; I257-Y259 PolarHBondContact O-N 3.38Å; I257-Y259 VanDerWaalsContact O-N 3.1Å; Y259-D261 VanDerWaalsContact C-N 3.31Å; Y259-P262 WeakPolarHBondContact O-CD 3.07Å; Y259-Y396 VanDerWaalsContact C-CE1 3.48Å; Y259-S399 CarbonylContact C-O 3.42Å; Y259-S399 WeakPolarHBondContact CA-O 3.44Å
260S94.9Very high96.5Very high35 Ų3521.4 Ų21.425%0.24512%0.119CC..SBendtrans-71-30.6174.662.70000111.8P262 S399 D426S260-P262 VanDerWaalsContact C-CD 3.44Å; S260-P262 WeakPolarHBondContact O-CD 3.32Å; S260-S399 PolarHBondContact N-O 3.48Å; S260-S399 VanDerWaalsContact OG-CA 3.3Å; S260-S399 WeakPolarHBondContact OG-CA 3.37Å; S260-S399 WeakPolarHBondContact OG-CB 3.41Å; S260-S399 PolarHBondContact OG-OG 3.25Å; S260-D426 PolarHBondContact OG-OD2 3.04Å
261D92.7Very high96.5Very high55 Ų5526.2 Ų26.229%0.29413%0.134SC..SBendtrans-125.261.8-177.570.3-18.9000112.4R39 Y259 R263 S399R39-D261 IonicContact CZ-OD1 3.56Å; R39-D261 IonicContact NH1-OD1 3.43Å; R39-D261 PolarHBondContact NH1-OD1 3.12Å; R39-D261 IonicContact NH2-OD1 3.59Å; R39-D261 PolarHBondContact NH2-OD1 2.98Å; R39-D261 IonicContact NH2-OD2 2.73Å; R39-D261 PolarHBondContact NH2-OD2 3.27Å; Y259-D261 VanDerWaalsContact C-N 3.31Å; D261-R263 PolarHBondContact O-N 3.34Å; D261-S399 WeakPolarHBondContact OD1-CB 3.33Å
262P95.1Very high96.4Very high3 Ų326.7 Ų26.72%0.01914%0.136CC..  trans-59130.1-17419.8-28.2000112.4Y259 S260 T275 W518Y259-P262 WeakPolarHBondContact O-CD 3.07Å; S260-P262 VanDerWaalsContact C-CD 3.44Å; S260-P262 WeakPolarHBondContact O-CD 3.32Å; P262-T275 HydrophobicContact CB-CG2 4.23Å; P262-W518 HydrophobicContact CB-CZ2 4.11Å; P262-W518 HydrophobicContact CG-CH2 4.22Å; P262-W518 HydrophobicContact CG-CZ2 3.55Å; P262-W518 PolarHBondContact O-NE1 2.95Å
263R94.9Very high96.3Very high91 Ų9124.4 Ų24.434%0.34313%0.128SC..  trans-126.9-49.4177.3-66.8-62.3-178.8-177.9-3.5112.4D261 K265 Q511 L516 E553D261-R263 PolarHBondContact O-N 3.34Å; R263-K265 PolarHBondContact O-N 3.04Å; R263-Q511 PolarHBondContact O-NE2 2.76Å; R263-L516 PolarHBondContact NH1-O 3.33Å; R263-E553 IonicContact CZ-OE1 3.48Å; R263-E553 IonicContact CZ-OE2 3.12Å; R263-E553 IonicContact NH1-OE1 3.92Å; R263-E553 IonicContact NH1-OE2 2.7Å; R263-E553 PolarHBondContact NH1-OE2 3.2Å; R263-E553 IonicContact NH2-OE1 2.76Å; R263-E553 PolarHBondContact NH2-OE1 2.76Å; R263-E553 IonicContact NH2-OE2 2.81Å; R263-E553 PolarHBondContact NH2-OE2 2.94Å; R263-E553 VanDerWaalsContact NH2-OE2 3.14Å
264M96.7Very high96.2Very high11 Ų1126.7 Ų26.75%0.05414%0.136CC..SBendtrans-63.4129.6173.9-177.4175.571.600110.2I35 A38 R39 A43 L46 V266I35-M264 HydrophobicContact CG2-CE 3.63Å; A38-M264 HydrophobicContact CB-CE 4.27Å; A38-M264 HydrophobicContact CB-SD 3.94Å; R39-M264 HydrophobicContact CB-CE 4.16Å; R39-M264 HydrophobicContact CB-SD 4.43Å; A43-M264 HydrophobicContact CB-CG 4.48Å; A43-M264 HydrophobicContact CB-SD 3.79Å; A43-M264 WeakPolarHBondContact O-CB 3.49Å; A43-M264 WeakPolarHBondContact O-CG 3.38Å; L46-M264 HydrophobicContact CB-CE 4.01Å; L46-M264 HydrophobicContact CB-CG 4.35Å; L46-M264 HydrophobicContact CB-SD 3.85Å; L46-M264 HydrophobicContact CD2-CE 3.81Å; M264-V266 HydrophobicContact CE-CG2 4.04Å
265K96.7Very high96Very high6 Ų627.4 Ų27.43%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-77130.3171.4-59.8-175.3-61.7-177.20108.2T44 E45 L46 R263 Y267 D513 L516T44-K265 PolarHBondContact O-N 2.68Å; E45-K265 CarbonylContact C-O 3.53Å; E45-K265 WeakPolarHBondContact CA-O 3.43Å; E45-K265 HydrophobicContact CG-CB 4.42Å; E45-K265 VanDerWaalsContact CG-CE 3.47Å; E45-K265 WeakPolarHBondContact OE1-CE 3.41Å; E45-K265 IonicContact OE1-NZ 3.75Å; E45-K265 PolarHBondContact OE1-NZ 3.42Å; L46-K265 PolarHBondContact N-O 3.27Å; R263-K265 PolarHBondContact O-N 3.04Å; K265-Y267 HydrophobicContact CB-CE2 3.93Å; K265-D513 WeakPolarHBondContact CD-OD1 3.44Å; K265-D513 PolarHBondContact NZ-O 3.39Å; K265-D513 IonicContact NZ-OD1 2.74Å; K265-D513 PolarHBondContact NZ-OD1 2.66Å; K265-D513 IonicContact NZ-OD2 3.25Å; K265-L516 HydrophobicContact CD-CD2 3.8Å; K265-L516 HydrophobicContact CG-CD2 3.71Å
266V97.9Very high95.8Very high3 Ų331.5 Ų31.52%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-111.4130174.5-173.60000108.3L46 I48 V255 M264 K272 V273L46-V266 HydrophobicContact CD2-CG1 4.4Å; L46-V266 CarbonylContact O-C 3.46Å; L46-V266 WeakPolarHBondContact O-CA 3.36Å; I48-V266 HydrophobicContact CD1-CG1 3.79Å; I48-V266 HydrophobicContact CG1-CG1 4.19Å; V255-V266 HydrophobicContact CG1-CB 3.93Å; V255-V266 HydrophobicContact CG1-CG1 3.9Å; V255-V266 HydrophobicContact CG1-CG2 4.01Å; M264-V266 HydrophobicContact CE-CG2 4.04Å; V266-K272 CarbonylContact O-C 3.51Å; V266-V273 HydrophobicContact CB-CB 4.43Å; V266-V273 HydrophobicContact CB-CG2 4.4Å; V266-V273 HydrophobicContact CG1-CG2 4.34Å; V266-V273 WeakPolarHBondContact O-CB 3.48Å; V266-V273 PolarHBondContact O-N 2.85Å
267Y97.6Very high95.6Very high39 Ų3933.1 Ų33.115%0.15316%0.163CC..EExtended strand (participates in β ladder)trans-107.8130.5171.7-64.7-98.8000107.7L46 D47 I48 K265 K272L46-Y267 PolarHBondContact O-N 3.37Å; D47-Y267 VanDerWaalsContact OD1-CB 3.23Å; D47-Y267 WeakPolarHBondContact OD1-CB 3.43Å; I48-Y267 PolarHBondContact N-O 2.86Å; K265-Y267 HydrophobicContact CB-CE2 3.93Å; Y267-K272 HydrophobicContact CD1-CB 3.87Å; Y267-K272 HydrophobicContact CE1-CB 3.69Å; Y267-K272 HydrophobicContact CE1-CD 4.43Å; Y267-K272 HydrophobicContact CE1-CG 4.16Å
268L98Very high95.4Very high1 Ų134.1 Ų34.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-118.5122.4175.7-174.967000108.3I48 D223 I224 L251 R252 G270 R271 V273I48-L268 HydrophobicContact CB-CD1 3.73Å; I48-L268 HydrophobicContact CG2-CD1 3.66Å; I48-L268 CarbonylContact O-C 3.55Å; I48-L268 VanDerWaalsContact O-CA 3.32Å; I48-L268 WeakPolarHBondContact O-CA 3.46Å; D223-L268 WeakPolarHBondContact OD1-CD2 3.49Å; I224-L268 HydrophobicContact CD1-CD1 3.78Å; I224-L268 HydrophobicContact CG1-CD1 3.97Å; L251-L268 HydrophobicContact CB-CD2 4.24Å; L251-L268 HydrophobicContact CD2-CD1 3.93Å; L251-L268 HydrophobicContact CD2-CD2 4.36Å; L251-L268 HydrophobicContact CG-CD2 4.34Å; R252-L268 HydrophobicContact CB-CD2 3.91Å; R252-L268 PolarHBondContact NH2-O 3.25Å; L268-G270 VanDerWaalsContact C-N 3.25Å; L268-G270 PolarHBondContact O-N 3.3Å; L268-R271 PolarHBondContact N-O 3.25Å; L268-R271 PolarHBondContact O-N 3.39Å; L268-R271 VanDerWaalsContact O-O 3.14Å; L268-V273 HydrophobicContact CB-CG2 3.82Å
269Q96.8Very high95.2Very high38 Ų3835.7 Ų35.718%0.17818%0.177CC..THydrogen-bonded Turntrans50.445.1-173.5-58.6-71.116.300112.3I48 T50 P221 R271I48-Q269 PolarHBondContact O-N 3.39Å; T50-Q269 PolarHBondContact OG1-NE2 3.01Å; T50-Q269 PolarHBondContact OG1-OE1 3.15Å; P221-Q269 VanDerWaalsContact O-CB 3.22Å; P221-Q269 WeakPolarHBondContact O-CB 3.21Å; Q269-R271 PolarHBondContact O-N 2.94Å
270G93.7Very high95Very high56 Ų5635.5 Ų35.558%0.57718%0.178SC*.THydrogen-bonded Turntrans71.87.9179.700000115.5L268L268-G270 VanDerWaalsContact C-N 3.25Å; L268-G270 PolarHBondContact O-N 3.3Å
271R94.2Very high94.9Very high119 Ų11935.9 Ų35.945%0.44918%0.179SC..EExtended strand (participates in β ladder)trans-119.7128.2177.6-72-67.6-174.1168.8-2.3111.3R222 R252 L268 Q269 V273R222-R271 HydrophobicContact CG-CG 4.27Å; R252-R271 PolarHBondContact NH2-O 3.03Å; R252-R271 VanDerWaalsContact NH2-O 3.15Å; L268-R271 PolarHBondContact N-O 3.25Å; L268-R271 PolarHBondContact O-N 3.39Å; L268-R271 VanDerWaalsContact O-O 3.14Å; Q269-R271 PolarHBondContact O-N 2.94Å; R271-V273 PolarHBondContact O-N 3.41Å
272K95.8Very high95Very high10 Ų1033.6 Ų33.64%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-55.9133.8179.9-168.6172.5174.8175.10110.3R252 V266 Y267 D513 D534R252-K272 PolarHBondContact NH1-O 3.4Å; V266-K272 CarbonylContact O-C 3.51Å; Y267-K272 HydrophobicContact CD1-CB 3.87Å; Y267-K272 HydrophobicContact CE1-CB 3.69Å; Y267-K272 HydrophobicContact CE1-CD 4.43Å; Y267-K272 HydrophobicContact CE1-CG 4.16Å; K272-D513 IonicContact NZ-OD1 2.68Å; K272-D513 PolarHBondContact NZ-OD1 2.76Å; K272-D534 HydrophobicContact CB-CB 3.94Å; K272-D534 HydrophobicContact CD-CB 4.09Å; K272-D534 WeakPolarHBondContact CD-O 3.3Å; K272-D534 PolarHBondContact NZ-O 2.84Å
273V95.8Very high95.1Very high3 Ų335 Ų352%0.01817%0.173CC..  trans-79.7121.8168.9-179.70000106.9R252 V255 V266 L268 R271 T275R252-V273 HydrophobicContact CG-CG1 4.36Å; R252-V273 HydrophobicContact CG-CG2 4.47Å; R252-V273 WeakPolarHBondContact O-CG1 3.34Å; V255-V273 HydrophobicContact CB-CG1 4.27Å; V255-V273 HydrophobicContact CG1-CB 4.37Å; V255-V273 HydrophobicContact CG1-CG1 4.04Å; V255-V273 HydrophobicContact CG1-CG2 4.33Å; V266-V273 HydrophobicContact CB-CB 4.43Å; V266-V273 HydrophobicContact CB-CG2 4.4Å; V266-V273 HydrophobicContact CG1-CG2 4.34Å; V266-V273 WeakPolarHBondContact O-CB 3.48Å; V266-V273 PolarHBondContact O-N 2.85Å; L268-V273 HydrophobicContact CB-CG2 3.82Å; R271-V273 PolarHBondContact O-N 3.41Å; V273-T275 VanDerWaalsContact C-N 3.26Å; V273-T275 HydrophobicContact CG1-CG2 4.49Å; V273-T275 PolarHBondContact O-N 3.31Å
274Q93.1Very high95.1Very high63 Ų6333.2 Ų33.229%0.29417%0.174SC..  trans-74.984.5174.8-65.7-67.4-15.300108.4S256 V532 D534S256-Q274 WeakPolarHBondContact CB-O 3.1Å; Q274-V532 PolarHBondContact NE2-O 3.07Å; Q274-D534 PolarHBondContact NE2-OD1 3.35Å
275T95.3Very high95.2Very high16 Ų1634.4 Ų34.410%0.09818%0.182CC..  trans-61.8152.9176.356.20000110.2S256 P262 V273 W518S256-T275 CarbonylContact O-C 3.56Å; S256-T275 WeakPolarHBondContact O-CA 3.38Å; P262-T275 HydrophobicContact CB-CG2 4.23Å; V273-T275 VanDerWaalsContact C-N 3.26Å; V273-T275 HydrophobicContact CG1-CG2 4.49Å; V273-T275 PolarHBondContact O-N 3.31Å; T275-W518 WeakPolarHBondContact O-CH2 3.36Å
276K92.1Very high95.2Very high90 Ų9037.8 Ų37.839%0.39120%0.195SC..  trans-128.1134.4-173.2-64.1172.1-175.91690109.3S256 L278 T281S256-K276 PolarHBondContact O-N 3Å; K276-L278 PolarHBondContact O-N 2.94Å; K276-T281 HydrophobicContact CB-CG2 4.37Å; K276-T281 HydrophobicContact CD-CG2 4.34Å; K276-T281 HydrophobicContact CG-CG2 4.48Å
277R92.9Very high95.2Very high41 Ų4139.5 Ų39.516%0.15520%0.202CC..  trans-77.497153.4-70.9-176.3169.2-175.6-5.4107L279 A280 W518 E553R277-L279 PolarHBondContact O-N 2.97Å; R277-A280 HydrophobicContact CB-CB 4.27Å; R277-A280 WeakPolarHBondContact O-CB 3.32Å; R277-A280 PolarHBondContact O-N 3.48Å; R277-W518 HydrophobicContact CG-CD2 4.19Å; R277-W518 HydrophobicContact CG-CE3 4.29Å; R277-E553 IonicContact CZ-OE1 2.6Å; R277-E553 IonicContact NH1-OE1 3.27Å; R277-E553 PolarHBondContact NH1-OE1 3.4Å; R277-E553 IonicContact NH2-OE1 3.86Å; R277-E553 PolarHBondContact NH2-OE1 3.48Å
278L93.6Very high95.2Very high22 Ų2237.7 Ų37.712%0.11520%0.195CC..G310 helixtrans-51.1-37.5-171.7-176.162.9000112.5I257 K276 A280 T281 L282 F394 V422 I424I257-L278 HydrophobicContact CG2-CD1 4.36Å; K276-L278 PolarHBondContact O-N 2.94Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.2Å; L278-T281 PolarHBondContact O-N 3.49Å; L278-T281 VanDerWaalsContact O-N 3.13Å; L278-T281 PolarHBondContact O-OG1 3.43Å; L278-L282 WeakPolarHBondContact O-CG 3.32Å; L278-F394 HydrophobicContact CD2-CB 4.09Å; L278-F394 HydrophobicContact CD2-CD1 3.7Å; L278-F394 HydrophobicContact CD2-CD2 3.68Å; L278-F394 HydrophobicContact CD2-CE1 3.97Å; L278-F394 HydrophobicContact CD2-CE2 3.94Å; L278-F394 HydrophobicContact CD2-CG 3.53Å; L278-F394 HydrophobicContact CD2-CZ 4.06Å; L278-V422 HydrophobicContact CD2-CG1 4.23Å; L278-I424 HydrophobicContact CB-CD1 3.89Å; L278-I424 HydrophobicContact CD2-CD1 3.93Å; L278-I424 HydrophobicContact CD2-CG1 4.09Å; L278-I424 HydrophobicContact CG-CD1 3.81Å; L278-I424 HydrophobicContact CG-CG1 4.49Å
279L94.5Very high95.1Very high34 Ų3441.4 Ų41.418%0.17822%0.215CC..G310 helixtrans-56.1-39.1175.8-175.260000113.3R277 T281 L282 T285 Y380 I424 P558R277-L279 PolarHBondContact O-N 2.97Å; L279-T281 PolarHBondContact O-N 3.21Å; L279-L282 PolarHBondContact O-N 3.01Å; L279-T285 HydrophobicContact CD1-CG2 3.64Å; L279-T285 HydrophobicContact CG-CG2 4.29Å; L279-T285 WeakPolarHBondContact O-CG2 3.44Å; L279-Y380 HydrophobicContact CD1-CD1 4.31Å; L279-Y380 HydrophobicContact CD1-CG 4.3Å; L279-Y380 HydrophobicContact CD2-CD1 3.56Å; L279-Y380 HydrophobicContact CD2-CE1 4.02Å; L279-Y380 HydrophobicContact CD2-CG 4.03Å; L279-I424 HydrophobicContact CB-CD1 3.99Å; L279-I424 HydrophobicContact CD1-CD1 4.42Å; L279-P558 HydrophobicContact CD2-CG 4.05Å
280A92.1Very high95Very high10 Ų1042.3 Ų42.38%0.08322%0.218CC..G310 helixtrans-70.1-20.7-177.800000113.4R277 L278 L282 S507 C509 M556R277-A280 HydrophobicContact CB-CB 4.27Å; R277-A280 WeakPolarHBondContact O-CB 3.32Å; R277-A280 PolarHBondContact O-N 3.48Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 3.2Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.27Å; A280-S507 PolarHBondContact O-N 2.6Å; A280-C509 HydrophobicContact CB-CB 4.14Å; A280-C509 WeakPolarHBondContact CB-SG 3.39Å; A280-M556 HydrophobicContact CB-CE 3.92Å
281T92.7Very high95Very high43 Ų4343.3 Ų43.326%0.26422%0.221SC..G310 helixtrans-86.22.6179.869.50000112.9K276 L278 L279K276-T281 HydrophobicContact CB-CG2 4.37Å; K276-T281 HydrophobicContact CD-CG2 4.34Å; K276-T281 HydrophobicContact CG-CG2 4.48Å; L278-T281 PolarHBondContact O-N 3.49Å; L278-T281 VanDerWaalsContact O-N 3.13Å; L278-T281 PolarHBondContact O-OG1 3.43Å; L279-T281 PolarHBondContact O-N 3.21Å
282L96.1Very high94.9Very high6 Ų638.1 Ų38.13%0.03120%0.203CC..SBendtrans-107.4148.8-176.2-56.5173.7000111.5L278 L279 A280 T285 N384 V422 I424L278-L282 WeakPolarHBondContact O-CG 3.32Å; L279-L282 PolarHBondContact O-N 3.01Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.27Å; L282-T285 HydrophobicContact CB-CG2 3.81Å; L282-N384 HydrophobicContact CD2-CB 3.96Å; L282-V422 HydrophobicContact CD1-CB 3.79Å; L282-V422 HydrophobicContact CD1-CG1 3.84Å; L282-V422 HydrophobicContact CD2-CB 3.85Å; L282-V422 HydrophobicContact CD2-CG1 4.36Å; L282-V422 HydrophobicContact CD2-CG2 4.01Å; L282-V422 HydrophobicContact CG-CB 4.49Å; L282-I424 HydrophobicContact CD1-CD1 4.13Å
283H96.4Very high94.7Very high33 Ų3344.8 Ų44.815%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-86.6145.2177175.959.2000111.5T285 V383 V385 S505 V506H283-T285 PolarHBondContact O-N 3.07Å; H283-V383 HydrophobicContact CB-CB 4.35Å; H283-V383 WeakPolarHBondContact CB-O 3.32Å; H283-V383 PolarHBondContact N-O 3.39Å; H283-V383 PolarHBondContact O-N 2.59Å; H283-V385 HydrophobicContact CB-CG1 3.66Å; H283-V385 HydrophobicContact CB-CG2 4.05Å; H283-S505 PolarHBondContact ND1-O 2.88Å; H283-S505 VanDerWaalsContact ND1-O 3.13Å; H283-V506 HydrophobicContact CB-CG1 4.43Å
284S96Very high94.5Very high54 Ų5445.8 Ų45.838%0.37824%0.238SC..EExtended strand (participates in β ladder)trans51.153.9173.5-69.80000113Y461S284-Y461 WeakPolarHBondContact O-CE2 3.29Å; S284-Y461 PolarHBondContact O-OH 2.73Å
285T97Very high94.5Very high36 Ų3644.4 Ų44.422%0.22123%0.231CC..EExtended strand (participates in β ladder)trans-71.3144.2-175.551.70000112.5L279 L282 H283 F381L279-T285 HydrophobicContact CD1-CG2 3.64Å; L279-T285 HydrophobicContact CG-CG2 4.29Å; L279-T285 WeakPolarHBondContact O-CG2 3.44Å; L282-T285 HydrophobicContact CB-CG2 3.81Å; H283-T285 PolarHBondContact O-N 3.07Å; T285-F381 CarbonylContact C-O 3.59Å; T285-F381 WeakPolarHBondContact CA-O 3.38Å
286R97.7Very high94.4Very high76 Ų7650.8 Ų50.829%0.28725%0.253SS..EExtended strand (participates in β ladder)trans-141.8152.5174.5-71.7-172.6173.9-139.23.5110.8Y288 Y380 F381 Y461 D464 P559R286-Y288 HydrophobicContact CB-CE2 3.92Å; R286-Y380 CarbonylContact O-C 3.45Å; R286-Y380 WeakPolarHBondContact O-CA 3.27Å; R286-F381 PolarHBondContact N-O 3.42Å; R286-F381 PolarHBondContact O-N 3.31Å; R286-Y461 HydrophobicContact CB-CD2 3.98Å; R286-Y461 HydrophobicContact CB-CE2 4.07Å; R286-Y461 HydrophobicContact CG-CD2 4.29Å; R286-Y461 HydrophobicContact CG-CE2 4.16Å; R286-D464 IonicContact CZ-OD2 2.7Å; R286-D464 IonicContact NH1-OD2 3.76Å; R286-D464 PolarHBondContact NH1-OD2 3.26Å; R286-P559 WeakPolarHBondContact CA-O 3.15Å
287K97.5Very high94.6Very high39 Ų3950.2 Ų50.217%0.1726%0.257CS..EExtended strand (participates in β ladder)trans-114.4146.5171.366.3-171.6-179.1-166.50112T378 F379 Y380 S557 P558 P559 M560 G561K287-T378 HydrophobicContact CB-CG2 3.93Å; K287-F379 CarbonylContact C-O 3.55Å; K287-F379 VanDerWaalsContact CA-O 3.23Å; K287-F379 WeakPolarHBondContact CA-O 3.41Å; K287-Y380 HydrophobicContact CB-CD1 3.63Å; K287-Y380 HydrophobicContact CB-CE1 3.68Å; K287-Y380 HydrophobicContact CD-CE1 4.23Å; K287-S557 PolarHBondContact NZ-OG 3.45Å; K287-P558 HydrophobicContact CB-CG 3.95Å; K287-P558 HydrophobicContact CD-CG 4.38Å; K287-P558 WeakPolarHBondContact CD-O 3.07Å; K287-P558 WeakPolarHBondContact CE-O 3.23Å; K287-P558 HydrophobicContact CG-CG 4.29Å; K287-P559 PolarHBondContact N-O 3.38Å; K287-M560 HydrophobicContact CG-CB 4.34Å; K287-M560 HydrophobicContact CG-CG 4.47Å; K287-M560 CarbonylContact O-C 3.46Å; K287-M560 WeakPolarHBondContact O-CA 3.16Å; K287-G561 PolarHBondContact O-N 3.22Å
288Y97.7Very high94.6Very high2 Ų252 Ų521%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-131.7134.9174.5-60.3-98.2000109.3R286 T378 F379 F381 Q460 Y461 D464 G561R286-Y288 HydrophobicContact CB-CE2 3.92Å; Y288-T378 CarbonylContact O-C 3.57Å; Y288-T378 WeakPolarHBondContact O-CA 3.38Å; Y288-F379 PolarHBondContact N-O 3.05Å; Y288-F379 PolarHBondContact O-N 3.4Å; Y288-F381 AromaticContact CD2-CD2 3.7Å; Y288-F381 HydrophobicContact CD2-CD2 3.7Å; Y288-F381 HydrophobicContact CD2-CE2 4.01Å; Y288-F381 AromaticContact CE2-CD2 3.82Å; Y288-F381 HydrophobicContact CE2-CD2 3.82Å; Y288-F381 HydrophobicContact CE2-CE2 4.42Å; Y288-Q460 HydrophobicContact CE1-CB 4.38Å; Y288-Q460 HydrophobicContact CE1-CG 3.82Å; Y288-Y461 HydrophobicContact CE2-CD2 4.21Å; Y288-Y461 VanDerWaalsContact OH-CA 3.29Å; Y288-Y461 WeakPolarHBondContact OH-CA 3.33Å; Y288-D464 PolarHBondContact OH-OD2 2.96Å; Y288-D464 VanDerWaalsContact OH-OD2 3.07Å; Y288-G561 VanDerWaalsContact CD1-C 3.47Å; Y288-G561 VanDerWaalsContact CE1-C 3.48Å; Y288-G561 VanDerWaalsContact CE1-CA 3.45Å
289N95.6Very high94.6Very high79 Ų7951.5 Ų51.542%0.42226%0.263SS..EExtended strand (participates in β ladder)trans-94.7122.9176.6-68-13.5000109.5
290F94.7Very high94.6Very high57 Ų5753.8 Ų53.825%0.2527%0.273CS..EExtended strand (participates in β ladder)trans-104.7117.8174.3173-112.6000109.8S292 T376 L377 F379 A453 H457F290-S292 PolarHBondContact O-N 3.27Å; F290-T376 CarbonylContact O-C 3.28Å; F290-T376 WeakPolarHBondContact O-CA 3.21Å; F290-T376 WeakPolarHBondContact O-CB 3.33Å; F290-L377 HydrophobicContact CD1-CB 4.43Å; F290-L377 HydrophobicContact CD1-CD1 4.31Å; F290-L377 PolarHBondContact N-O 3.27Å; F290-L377 PolarHBondContact O-N 3.1Å; F290-F379 HydrophobicContact CB-CD2 4.13Å; F290-F379 HydrophobicContact CB-CE1 4.22Å; F290-F379 HydrophobicContact CB-CE2 3.46Å; F290-F379 VanDerWaalsContact CB-CE2 3.46Å; F290-F379 HydrophobicContact CB-CZ 3.51Å; F290-F379 HydrophobicContact CD1-CE1 4.47Å; F290-F379 HydrophobicContact CD1-CE2 4.29Å; F290-F379 AromaticContact CD1-CZ 3.67Å; F290-F379 HydrophobicContact CD1-CZ 3.67Å; F290-F379 HydrophobicContact CD2-CE2 4.4Å; F290-F379 AromaticContact CG-CE2 3.81Å; F290-F379 HydrophobicContact CG-CE2 3.81Å; F290-F379 AromaticContact CG-CZ 3.67Å; F290-F379 HydrophobicContact CG-CZ 3.67Å; F290-A453 HydrophobicContact CD2-CB 4.2Å; F290-A453 HydrophobicContact CE1-CB 4.17Å; F290-A453 HydrophobicContact CE2-CB 3.76Å; F290-A453 HydrophobicContact CZ-CB 3.74Å; F290-H457 AromaticContact CD2-CE1 3.86Å
291A93.6Very high94.8Very high77 Ų7756.2 Ų56.264%0.63629%0.292SS*.EExtended strand (participates in β ladder)trans-75.7114.1175.600000109.9T376A291-T376 HydrophobicContact CB-CG2 4.4Å
292S92.8Very high94.7Very high9 Ų955.8 Ų55.86%0.06329%0.289CS..  trans-95.4117-177.5171.50000110.9F290 F295 R296 K375F290-S292 PolarHBondContact O-N 3.27Å; S292-F295 PolarHBondContact O-N 3.33Å; S292-F295 WeakPolarHBondContact OG-CB 3.24Å; S292-F295 PolarHBondContact OG-N 3.47Å; S292-R296 PolarHBondContact O-N 2.86Å; S292-R296 VanDerWaalsContact O-N 3.14Å; S292-K375 PolarHBondContact N-O 3.03Å; S292-K375 VanDerWaalsContact N-O 3.1Å
293K91.3Very high94.7Very high151 Ų15156 Ų5666%0.65729%0.29SS*.Hα-helixtrans-61.6-44.2172.9-173.8179.8179-177.70110.9F295 R296 T297K293-F295 PolarHBondContact O-N 3.5Å; K293-R296 PolarHBondContact O-N 3.18Å; K293-T297 WeakPolarHBondContact O-CB 3.34Å; K293-T297 PolarHBondContact O-N 2.93Å; K293-T297 PolarHBondContact O-OG1 2.96Å
294T91.7Very high94.7Very high23 Ų2357.2 Ų57.214%0.14131%0.305CS..Hα-helixtrans-58.1-47.7176.1-50.20000111.5R296 T297 R298 E446T294-R296 VanDerWaalsContact C-N 3.34Å; T294-R296 PolarHBondContact O-N 3.16Å; T294-T297 PolarHBondContact O-N 3.36Å; T294-R298 HydrophobicContact CG2-CG 4.38Å; T294-R298 WeakPolarHBondContact O-CB 3.39Å; T294-R298 WeakPolarHBondContact O-CG 3.27Å; T294-R298 PolarHBondContact O-N 3.26Å; T294-E446 WeakPolarHBondContact CB-OE2 3.37Å; T294-E446 VanDerWaalsContact CG2-OE2 3.3Å; T294-E446 WeakPolarHBondContact CG2-OE2 3.36Å; T294-E446 PolarHBondContact OG1-OE1 3.02Å; T294-E446 PolarHBondContact OG1-OE2 2.9Å
295F93Very high94.7Very high34 Ų3460.6 Ų60.615%0.14931%0.313CS..Hα-helixtrans-59.7-45.8179-168.2-175.4000111.6S292 K293 A299 K375 P428 M430 V431S292-F295 PolarHBondContact O-N 3.33Å; S292-F295 WeakPolarHBondContact OG-CB 3.24Å; S292-F295 PolarHBondContact OG-N 3.47Å; K293-F295 PolarHBondContact O-N 3.5Å; F295-A299 WeakPolarHBondContact O-CB 3Å; F295-A299 PolarHBondContact O-N 2.74Å; F295-A299 VanDerWaalsContact O-N 3.11Å; F295-K375 HydrophobicContact CB-CB 4.16Å; F295-K375 HydrophobicContact CD1-CB 3.85Å; F295-K375 HydrophobicContact CD1-CD 4.06Å; F295-K375 HydrophobicContact CD2-CD 3.73Å; F295-K375 HydrophobicContact CE1-CB 4.4Å; F295-K375 HydrophobicContact CE1-CD 3.99Å; F295-K375 HydrophobicContact CE2-CD 3.63Å; F295-K375 HydrophobicContact CG-CB 3.93Å; F295-K375 HydrophobicContact CG-CD 3.93Å; F295-K375 HydrophobicContact CZ-CD 3.77Å; F295-P428 HydrophobicContact CE1-CG 4.04Å; F295-P428 HydrophobicContact CE2-CG 4.17Å; F295-P428 HydrophobicContact CZ-CG 3.87Å; F295-M430 HydrophobicContact CD2-CG 4.44Å; F295-M430 HydrophobicContact CD2-SD 4.19Å; F295-M430 HydrophobicContact CE2-CB 4.47Å; F295-M430 HydrophobicContact CE2-SD 4.08Å; F295-V431 HydrophobicContact CB-CG2 3.4Å; F295-V431 VanDerWaalsContact CB-CG2 3.4Å; F295-V431 HydrophobicContact CD1-CG2 4.08Å; F295-V431 HydrophobicContact CD2-CG2 3.72Å; F295-V431 HydrophobicContact CG-CG2 3.47Å; F295-V431 VanDerWaalsContact CG-CG2 3.47Å
296R93.9Very high94.6Very high151 Ų15159.2 Ų59.257%0.5731%0.306SS*.Hα-helixtrans-62.9-49.7177.8-177.4174.5179.5162.8-1.3112.1S292 K293 T294 R298 A299 E300 K375S292-R296 PolarHBondContact O-N 2.86Å; S292-R296 VanDerWaalsContact O-N 3.14Å; K293-R296 PolarHBondContact O-N 3.18Å; T294-R296 VanDerWaalsContact C-N 3.34Å; T294-R296 PolarHBondContact O-N 3.16Å; R296-R298 PolarHBondContact O-N 3.37Å; R296-A299 PolarHBondContact O-N 2.8Å; R296-E300 HydrophobicContact CG-CG 4.45Å; R296-E300 WeakPolarHBondContact CG-OE1 3.28Å; R296-E300 IonicContact CZ-OE1 2.92Å; R296-E300 IonicContact NE-OE1 3.82Å; R296-E300 PolarHBondContact NE-OE1 3.2Å; R296-E300 IonicContact NH2-OE1 3.68Å; R296-E300 WeakPolarHBondContact O-CG 3.42Å; R296-E300 PolarHBondContact O-N 3.21Å; R296-K375 HydrophobicContact CB-CB 4.04Å; R296-K375 HydrophobicContact CB-CG 4.27Å
297T94.9Very high94.5Very high77 Ų7760.7 Ų60.747%0.47231%0.314SS..Hα-helixtrans-61.4-44.8-176.2-55.30000111.4K293 T294 E300 A301K293-T297 WeakPolarHBondContact O-CB 3.34Å; K293-T297 PolarHBondContact O-N 2.93Å; K293-T297 PolarHBondContact O-OG1 2.96Å; T294-T297 PolarHBondContact O-N 3.36Å; T297-E300 PolarHBondContact O-N 2.65Å; T297-A301 WeakPolarHBondContact O-CB 3.17Å; T297-A301 PolarHBondContact O-N 2.73Å
298R93.8Very high94.5Very high80 Ų8062.7 Ų62.730%0.30233%0.327SS..Hα-helixtrans-67.6-37.3178.3-68.1179.8-176.7178.86.5112.3T294 R296 A301 D302 M430 V431 D443T294-R298 HydrophobicContact CG2-CG 4.38Å; T294-R298 WeakPolarHBondContact O-CB 3.39Å; T294-R298 WeakPolarHBondContact O-CG 3.27Å; T294-R298 PolarHBondContact O-N 3.26Å; R296-R298 PolarHBondContact O-N 3.37Å; R298-A301 PolarHBondContact O-N 2.85Å; R298-D302 VanDerWaalsContact O-CB 3.3Å; R298-D302 WeakPolarHBondContact O-CB 3.45Å; R298-D302 PolarHBondContact O-N 3.35Å; R298-M430 HydrophobicContact CB-CG 3.81Å; R298-M430 HydrophobicContact CB-SD 4.4Å; R298-M430 WeakPolarHBondContact CD-O 3.28Å; R298-M430 PolarHBondContact NH1-O 2.93Å; R298-V431 PolarHBondContact NH1-O 3.39Å; R298-D443 IonicContact NH2-OD2 3.59Å; R298-D443 PolarHBondContact NH2-OD2 2.95Å
299A93.1Very high94.4Very high10 Ų1065.7 Ų65.78%0.08334%0.343CS..Hα-helixtrans-65.6-37.8173.500000112.8F295 R296 L303 K375 M430F295-A299 WeakPolarHBondContact O-CB 3Å; F295-A299 PolarHBondContact O-N 2.74Å; F295-A299 VanDerWaalsContact O-N 3.11Å; R296-A299 PolarHBondContact O-N 2.8Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 3.47Å; A299-K375 HydrophobicContact CB-CD 4.06Å; A299-M430 HydrophobicContact CB-SD 3.78Å
300E95.2Very high94.5Very high83 Ų8363 Ų6339%0.38833%0.329SS..Hα-helixtrans-66.5-43.8175-73.6174.6-178.700111.6R296 T297 L303 A304 I371R296-E300 HydrophobicContact CG-CG 4.45Å; R296-E300 WeakPolarHBondContact CG-OE1 3.28Å; R296-E300 IonicContact CZ-OE1 2.92Å; R296-E300 IonicContact NE-OE1 3.82Å; R296-E300 PolarHBondContact NE-OE1 3.2Å; R296-E300 IonicContact NH2-OE1 3.68Å; R296-E300 WeakPolarHBondContact O-CG 3.42Å; R296-E300 PolarHBondContact O-N 3.21Å; T297-E300 PolarHBondContact O-N 2.65Å; E300-L303 PolarHBondContact O-N 3.44Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 2.91Å; E300-I371 HydrophobicContact CB-CD1 4.21Å; E300-I371 HydrophobicContact CG-CD1 3.5Å; E300-I371 HydrophobicContact CG-CG1 4.33Å
301A95.3Very high94.6Very high60 Ų6068.7 Ų68.750%0.49635%0.349SS..Hα-helixtrans-62.6-43.3175.500000112.3T297 R298 A304 K305T297-A301 WeakPolarHBondContact O-CB 3.17Å; T297-A301 PolarHBondContact O-N 2.73Å; R298-A301 PolarHBondContact O-N 2.85Å; A301-A304 WeakPolarHBondContact O-CB 3.14Å; A301-A304 PolarHBondContact O-N 3.06Å; A301-K305 PolarHBondContact O-N 3.46Å
302D92.1Very high94.8Very high35 Ų3568.4 Ų68.419%0.18734%0.336CS..Hα-helixtrans-65.4-39.7177.7-178.544.7000112.5R298 K305 A306 K367R298-D302 VanDerWaalsContact O-CB 3.3Å; R298-D302 WeakPolarHBondContact O-CB 3.45Å; R298-D302 PolarHBondContact O-N 3.35Å; D302-K305 PolarHBondContact O-N 3.34Å; D302-A306 PolarHBondContact O-N 3.41Å; D302-K367 IonicContact OD1-NZ 3.5Å; D302-K367 PolarHBondContact OD1-NZ 2.91Å; D302-K367 WeakPolarHBondContact OD2-CD 3.39Å; D302-K367 WeakPolarHBondContact OD2-CE 3.1Å; D302-K367 IonicContact OD2-NZ 3.88Å; D302-K367 PolarHBondContact OD2-NZ 2.91Å
303L94.7Very high95Very high10 Ų1068.4 Ų68.45%0.05234%0.336CS..Hα-helixtrans-63.5-40.6171.1176.862.6000111.9A299 E300 A306 K307 V364 K367 L368 I371A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 3.47Å; E300-L303 PolarHBondContact O-N 3.44Å; L303-A306 PolarHBondContact O-N 3.04Å; L303-K307 HydrophobicContact CD1-CG 4.42Å; L303-K307 HydrophobicContact CG-CD 4.34Å; L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 3.37Å; L303-V364 HydrophobicContact CD1-CG1 4.13Å; L303-K367 HydrophobicContact CD1-CB 3.76Å; L303-L368 HydrophobicContact CD1-CB 4.34Å; L303-L368 HydrophobicContact CD2-CD1 3.92Å; L303-I371 HydrophobicContact CB-CD1 4.32Å; L303-I371 HydrophobicContact CD2-CD1 3.69Å; L303-I371 HydrophobicContact CD2-CG2 4.21Å
304A96.9Very high95.3Very high58 Ų5863.1 Ų63.148%0.47931%0.314SS..Hα-helixtrans-63.1-42.8177.200000111.4E300 A301 K307 N308E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 2.91Å; A301-A304 WeakPolarHBondContact O-CB 3.14Å; A301-A304 PolarHBondContact O-N 3.06Å; A304-K307 PolarHBondContact O-N 2.96Å; A304-N308 PolarHBondContact O-N 3.25Å
305K95.9Very high95.5Very high126 Ų12666.9 Ų66.955%0.54833%0.333SS..Hα-helixtrans-59.4-50.5173.5-176-175174.3-167.80111.6A301 D302 K307 N308 D309A301-K305 PolarHBondContact O-N 3.46Å; D302-K305 PolarHBondContact O-N 3.34Å; K305-K307 VanDerWaalsContact C-N 3.3Å; K305-K307 PolarHBondContact O-N 3.17Å; K305-N308 WeakPolarHBondContact O-CA 3.46Å; K305-N308 WeakPolarHBondContact O-CB 3.24Å; K305-N308 PolarHBondContact O-N 3.12Å; K305-D309 PolarHBondContact O-N 3.45Å
306A94.6Very high95.7Very high7 Ų772.9 Ų72.96%0.05835%0.354CS..Hα-helixtrans-61.1-37.4179.100000112.8D302 L303 D309 V310 V364 K367D302-A306 PolarHBondContact O-N 3.41Å; L303-A306 PolarHBondContact O-N 3.04Å; A306-D309 PolarHBondContact O-N 3.41Å; A306-V310 WeakPolarHBondContact O-CG2 3.49Å; A306-V310 PolarHBondContact O-N 2.82Å; A306-V364 VanDerWaalsContact C-CG2 3.44Å; A306-V364 HydrophobicContact CB-CG2 3.75Å; A306-V364 WeakPolarHBondContact O-CG2 3.49Å; A306-K367 HydrophobicContact CB-CD 3.93Å
307K97.3Very high95.9Very high106 Ų10665.7 Ų65.746%0.46133%0.327SS..Hα-helixtrans-64-40.5173.2-76.1173.6178.1174.20111.9L303 A304 K305 V310 R311 V364L303-K307 HydrophobicContact CD1-CG 4.42Å; L303-K307 HydrophobicContact CG-CD 4.34Å; L303-K307 WeakPolarHBondContact O-CG 3.24Å; L303-K307 PolarHBondContact O-N 3.37Å; A304-K307 PolarHBondContact O-N 2.96Å; K305-K307 VanDerWaalsContact C-N 3.3Å; K305-K307 PolarHBondContact O-N 3.17Å; K307-V310 PolarHBondContact O-N 2.9Å; K307-R311 PolarHBondContact O-N 3.31Å; K307-V364 HydrophobicContact CG-CG1 3.78Å; K307-V364 HydrophobicContact CG-CG2 4.29Å
308N97.4Very high96Very high82 Ų8266.3 Ų66.344%0.43933%0.325SS..Hα-helixtrans-64.7-40.7175.2-172.960.7000111.7A304 K305 V310 R311 I312A304-N308 PolarHBondContact O-N 3.25Å; K305-N308 WeakPolarHBondContact O-CA 3.46Å; K305-N308 WeakPolarHBondContact O-CB 3.24Å; K305-N308 PolarHBondContact O-N 3.12Å; N308-V310 VanDerWaalsContact C-N 3.33Å; N308-V310 PolarHBondContact O-N 3.25Å; N308-R311 WeakPolarHBondContact O-CB 3.46Å; N308-R311 PolarHBondContact O-N 2.68Å; N308-R311 VanDerWaalsContact O-N 3.08Å; N308-I312 WeakPolarHBondContact O-CG1 3.12Å; N308-I312 PolarHBondContact O-N 3.39Å
309D95.7Very high96.2Very high65 Ų6567.5 Ų67.535%0.34833%0.334SS..Hα-helixtrans-62.9-39.1176.3-68.3-16.1000112.2K305 A306 A313K305-D309 PolarHBondContact O-N 3.45Å; A306-D309 PolarHBondContact O-N 3.41Å; D309-A313 VanDerWaalsContact O-CB 3.3Å; D309-A313 WeakPolarHBondContact O-CB 3.25Å; D309-A313 PolarHBondContact O-N 3.5Å
310V97.4Very high96.3Very high21 Ų2167.7 Ų67.713%0.12734%0.335CS..Hα-helixtrans-61.5-45.7170.5170.30000110.8A306 K307 N308 I312 A313 E314 R360 Q361 V364A306-V310 WeakPolarHBondContact O-CG2 3.49Å; A306-V310 PolarHBondContact O-N 2.82Å; K307-V310 PolarHBondContact O-N 2.9Å; N308-V310 VanDerWaalsContact C-N 3.33Å; N308-V310 PolarHBondContact O-N 3.25Å; V310-I312 VanDerWaalsContact C-N 3.35Å; V310-I312 PolarHBondContact O-N 2.8Å; V310-A313 PolarHBondContact O-N 2.74Å; V310-E314 VanDerWaalsContact O-CB 3.24Å; V310-E314 WeakPolarHBondContact O-CB 3.43Å; V310-E314 PolarHBondContact O-N 2.83Å; V310-R360 VanDerWaalsContact CG2-C 3.42Å; V310-R360 HydrophobicContact CG2-CB 3.58Å; V310-R360 WeakPolarHBondContact CG2-O 3.2Å; V310-Q361 HydrophobicContact CG1-CG 3.66Å; V310-Q361 HydrophobicContact CG2-CG 4.16Å; V310-V364 HydrophobicContact CG2-CG2 3.59Å
311R97.3Very high96.4Very high177 Ų17766.3 Ų66.367%0.66833%0.329SS*.Hα-helixtrans-59-45179-177.1-177.4-179.9167.60.3111.7K307 N308 E314 L315K307-R311 PolarHBondContact O-N 3.31Å; N308-R311 WeakPolarHBondContact O-CB 3.46Å; N308-R311 PolarHBondContact O-N 2.68Å; N308-R311 VanDerWaalsContact O-N 3.08Å; R311-E314 PolarHBondContact O-N 3.23Å; R311-L315 WeakPolarHBondContact O-CG 3.48Å; R311-L315 PolarHBondContact O-N 2.94Å; R311-L315 VanDerWaalsContact O-N 3.1Å
312I96.5Very high96.5Very high71 Ų7166.5 Ų66.536%0.36433%0.327SS..Hα-helixtrans-65.6-44.7178-65.9169.2000110.7N308 V310 E314 L315 R316N308-I312 WeakPolarHBondContact O-CG1 3.12Å; N308-I312 PolarHBondContact O-N 3.39Å; V310-I312 VanDerWaalsContact C-N 3.35Å; V310-I312 PolarHBondContact O-N 2.8Å; I312-E314 VanDerWaalsContact C-N 3.32Å; I312-E314 PolarHBondContact O-N 2.87Å; I312-L315 PolarHBondContact O-N 3.16Å; I312-R316 WeakPolarHBondContact O-CG 3.29Å; I312-R316 PolarHBondContact O-N 2.96Å; I312-R316 VanDerWaalsContact O-N 3.15Å
313A96.7Very high96.7Very high9 Ų970 Ų707%0.07434%0.34CS..Hα-helixtrans-63.5-38.7177.800000112.1D309 V310 R316 A317 V357D309-A313 VanDerWaalsContact O-CB 3.3Å; D309-A313 WeakPolarHBondContact O-CB 3.25Å; D309-A313 PolarHBondContact O-N 3.5Å; V310-A313 PolarHBondContact O-N 2.74Å; A313-R316 PolarHBondContact O-N 2.68Å; A313-A317 WeakPolarHBondContact O-CB 3.3Å; A313-A317 PolarHBondContact O-N 3.35Å; A313-V357 VanDerWaalsContact C-CG2 3.45Å; A313-V357 HydrophobicContact CB-CG2 3.85Å; A313-V357 WeakPolarHBondContact O-CG2 3.17Å
314E97.5Very high96.7Very high40 Ų4069.9 Ų69.919%0.18734%0.341CS..Hα-helixtrans-62.4-45.9177.2-175.461.8-141.700111.3V310 R311 I312 R316 A317 Q318 R354 V357V310-E314 VanDerWaalsContact O-CB 3.24Å; V310-E314 WeakPolarHBondContact O-CB 3.43Å; V310-E314 PolarHBondContact O-N 2.83Å; R311-E314 PolarHBondContact O-N 3.23Å; I312-E314 VanDerWaalsContact C-N 3.32Å; I312-E314 PolarHBondContact O-N 2.87Å; E314-R316 VanDerWaalsContact C-N 3.34Å; E314-R316 PolarHBondContact O-N 3.15Å; E314-A317 PolarHBondContact O-N 2.78Å; E314-Q318 WeakPolarHBondContact O-CB 3.08Å; E314-Q318 VanDerWaalsContact O-CG 3.29Å; E314-Q318 WeakPolarHBondContact O-CG 3.45Å; E314-Q318 PolarHBondContact O-N 2.91Å; E314-Q318 PolarHBondContact OE1-NE2 2.85Å; E314-R354 IonicContact OE1-CZ 3.62Å; E314-R354 IonicContact OE1-NH1 2.72Å; E314-R354 PolarHBondContact OE1-NH1 3.09Å; E314-R354 IonicContact OE1-NH2 3.59Å; E314-R354 IonicContact OE2-NH1 3.01Å; E314-R354 PolarHBondContact OE2-NH1 3.41Å; E314-V357 WeakPolarHBondContact OE2-CG1 3.41Å
315L97.3Very high96.7Very high103 Ų10374.4 Ų74.454%0.53935%0.345SS..Hα-helixtrans-59-44.3175.4-71.3171.3000111.7R311 I312 Q318 E319R311-L315 WeakPolarHBondContact O-CG 3.48Å; R311-L315 PolarHBondContact O-N 2.94Å; R311-L315 VanDerWaalsContact O-N 3.1Å; I312-L315 PolarHBondContact O-N 3.16Å; L315-Q318 PolarHBondContact O-N 2.94Å; L315-E319 WeakPolarHBondContact O-CB 3.15Å; L315-E319 PolarHBondContact O-N 2.82Å
316R96.7Very high96.6Very high159 Ų15971.5 Ų71.560%0.634%0.336SS*.Hα-helixtrans-64.9-41.5177.5-71.2-180177.9179.80.3112.6I312 A313 E314 E319 A320I312-R316 WeakPolarHBondContact O-CG 3.29Å; I312-R316 PolarHBondContact O-N 2.96Å; I312-R316 VanDerWaalsContact O-N 3.15Å; A313-R316 PolarHBondContact O-N 2.68Å; E314-R316 VanDerWaalsContact C-N 3.34Å; E314-R316 PolarHBondContact O-N 3.15Å; R316-E319 PolarHBondContact O-N 2.9Å; R316-A320 WeakPolarHBondContact O-CB 3.33Å; R316-A320 PolarHBondContact O-N 3.07Å
317A97.6Very high96.6Very high0 Ų071.7 Ų71.70%034%0.336CS..Hα-helixtrans-64.8-44.1177.100000111.2A313 E314 E319 A320 E321 L353 V357A313-A317 WeakPolarHBondContact O-CB 3.3Å; A313-A317 PolarHBondContact O-N 3.35Å; E314-A317 PolarHBondContact O-N 2.78Å; A317-E319 PolarHBondContact O-N 3.35Å; A317-A320 PolarHBondContact O-N 3.48Å; A317-E321 WeakPolarHBondContact O-CB 3.42Å; A317-E321 VanDerWaalsContact O-CG 3.31Å; A317-E321 WeakPolarHBondContact O-CG 3.37Å; A317-E321 PolarHBondContact O-N 2.96Å; A317-L353 HydrophobicContact CB-CB 4.1Å; A317-V357 HydrophobicContact CB-CG2 3.78Å
318Q97.2Very high96.3Very high91 Ų9169.6 Ų69.643%0.42533%0.328SS..Hα-helixtrans-62.6-41.1176.3-71.9176.5800112.4E314 L315 E321 S322E314-Q318 WeakPolarHBondContact O-CB 3.08Å; E314-Q318 VanDerWaalsContact O-CG 3.29Å; E314-Q318 WeakPolarHBondContact O-CG 3.45Å; E314-Q318 PolarHBondContact O-N 2.91Å; E314-Q318 PolarHBondContact OE1-NE2 2.85Å; L315-Q318 PolarHBondContact O-N 2.94Å; Q318-E321 PolarHBondContact O-N 3.32Å; Q318-S322 WeakPolarHBondContact O-CB 3.23Å; Q318-S322 PolarHBondContact O-N 2.94Å
319E96.9Very high96.2Very high105 Ų10571.4 Ų71.449%0.49134%0.337SS..Hα-helixtrans-62.3-45.5175.5-169.5-168.3157.300111.6L315 R316 A317 S322 K323L315-E319 WeakPolarHBondContact O-CB 3.15Å; L315-E319 PolarHBondContact O-N 2.82Å; R316-E319 PolarHBondContact O-N 2.9Å; A317-E319 PolarHBondContact O-N 3.35Å; E319-S322 WeakPolarHBondContact O-CB 3.21Å; E319-S322 PolarHBondContact O-N 3.37Å; E319-K323 HydrophobicContact CG-CD 4.45Å; E319-K323 WeakPolarHBondContact O-CG 3.24Å; E319-K323 PolarHBondContact O-N 3.09Å; E319-K323 WeakPolarHBondContact OE1-CE 3.47Å; E319-K323 IonicContact OE1-NZ 2.65Å; E319-K323 PolarHBondContact OE1-NZ 2.9Å
320A96.7Very high96Very high13 Ų1376.6 Ų76.611%0.10735%0.352CS..Hα-helixtrans-65.3-40.4178.100000112.6R316 A317 S322 K323 A324 A350 L353R316-A320 WeakPolarHBondContact O-CB 3.33Å; R316-A320 PolarHBondContact O-N 3.07Å; A317-A320 PolarHBondContact O-N 3.48Å; A320-S322 VanDerWaalsContact C-N 3.34Å; A320-K323 PolarHBondContact O-N 3.26Å; A320-A324 WeakPolarHBondContact O-CB 3.44Å; A320-A324 PolarHBondContact O-N 3.4Å; A320-A350 HydrophobicContact CB-CB 4.16Å; A320-L353 HydrophobicContact CB-CD1 3.54Å
321E97.2Very high95.7Very high54 Ų5479.5 Ų79.525%0.25236%0.361SS..Hα-helixtrans-65.3-36.9173.4-74.4173177.500112.4A317 Q318 R325 A350 R354A317-E321 WeakPolarHBondContact O-CB 3.42Å; A317-E321 VanDerWaalsContact O-CG 3.31Å; A317-E321 WeakPolarHBondContact O-CG 3.37Å; A317-E321 PolarHBondContact O-N 2.96Å; Q318-E321 PolarHBondContact O-N 3.32Å; E321-R325 WeakPolarHBondContact O-CB 3.39Å; E321-R325 WeakPolarHBondContact O-CG 3.48Å; E321-R325 PolarHBondContact O-N 3.2Å; E321-R325 PolarHBondContact O-NE 3.14Å; E321-A350 HydrophobicContact CG-CB 3.87Å; E321-R354 IonicContact OE1-CZ 3.2Å; E321-R354 IonicContact OE1-NE 2.69Å; E321-R354 PolarHBondContact OE1-NE 2.81Å; E321-R354 IonicContact OE1-NH2 2.95Å; E321-R354 PolarHBondContact OE1-NH2 2.66Å; E321-R354 IonicContact OE2-CZ 3.73Å; E321-R354 IonicContact OE2-NE 3.97Å; E321-R354 IonicContact OE2-NH2 2.72Å; E321-R354 PolarHBondContact OE2-NH2 3.32Å
322S97Very high95.1Very high65 Ų6578.6 Ų78.646%0.45537%0.365SS..Hα-helixtrans-64.6-44.9174-1660000111.1Q318 E319 A320 R325 D326Q318-S322 WeakPolarHBondContact O-CB 3.23Å; Q318-S322 PolarHBondContact O-N 2.94Å; E319-S322 WeakPolarHBondContact O-CB 3.21Å; E319-S322 PolarHBondContact O-N 3.37Å; A320-S322 VanDerWaalsContact C-N 3.34Å; S322-R325 PolarHBondContact O-N 2.85Å; S322-D326 VanDerWaalsContact O-CB 3.31Å; S322-D326 WeakPolarHBondContact O-CB 3.35Å; S322-D326 PolarHBondContact O-N 3.31Å
323K96.4Very high94.6Very high109 Ų10979 Ų7947%0.47439%0.386SS..Hα-helixtrans-62.8-41.4175.7-76171.3171.1169.20112.1E319 A320 C327E319-K323 HydrophobicContact CG-CD 4.45Å; E319-K323 WeakPolarHBondContact O-CG 3.24Å; E319-K323 PolarHBondContact O-N 3.09Å; E319-K323 WeakPolarHBondContact OE1-CE 3.47Å; E319-K323 IonicContact OE1-NZ 2.65Å; E319-K323 PolarHBondContact OE1-NZ 2.9Å; A320-K323 PolarHBondContact O-N 3.26Å; K323-C327 VanDerWaalsContact O-CB 3.26Å; K323-C327 WeakPolarHBondContact O-CB 3.41Å; K323-C327 PolarHBondContact O-N 3.28Å
324A95.4Very high94.1Very high7 Ų780.3 Ų80.36%0.05840%0.395CS..Hα-helixtrans-63.5-46.9176.300000111.5A320 C327 E328 L346 A350A320-A324 WeakPolarHBondContact O-CB 3.44Å; A320-A324 PolarHBondContact O-N 3.4Å; A324-C327 PolarHBondContact O-N 3.27Å; A324-E328 WeakPolarHBondContact O-CB 3.41Å; A324-E328 WeakPolarHBondContact O-CG 3.34Å; A324-E328 PolarHBondContact O-N 3.38Å; A324-L346 HydrophobicContact CB-CB 4.03Å; A324-A350 HydrophobicContact CB-CB 4.28Å
325R95.6Very high93.7Very high152 Ų15287 Ų8757%0.57443%0.427SS*.Hα-helixtrans-64.4-43.3177.6-75.8-174.4-69175.2-1.6113E321 S322 C327 E328 L329E321-R325 WeakPolarHBondContact O-CB 3.39Å; E321-R325 WeakPolarHBondContact O-CG 3.48Å; E321-R325 PolarHBondContact O-N 3.2Å; E321-R325 PolarHBondContact O-NE 3.14Å; S322-R325 PolarHBondContact O-N 2.85Å; R325-C327 VanDerWaalsContact C-N 3.34Å; R325-E328 PolarHBondContact O-N 3Å; R325-L329 WeakPolarHBondContact O-CG 3.27Å; R325-L329 PolarHBondContact O-N 2.9Å
326D95.3Very high93.4Very high66 Ų6685.5 Ų85.535%0.35342%0.419SS..Hα-helixtrans-62.8-41.3176.3179.152.4000111.2S322 L329 R330S322-D326 VanDerWaalsContact O-CB 3.31Å; S322-D326 WeakPolarHBondContact O-CB 3.35Å; S322-D326 PolarHBondContact O-N 3.31Å; D326-L329 PolarHBondContact O-N 3.29Å; D326-R330 WeakPolarHBondContact O-CB 3.46Å; D326-R330 VanDerWaalsContact O-CG 3.26Å; D326-R330 WeakPolarHBondContact O-CG 3.28Å; D326-R330 PolarHBondContact O-N 3.19Å; D326-R330 IonicContact OD1-CZ 3.89Å; D326-R330 IonicContact OD1-NE 3.24Å; D326-R330 PolarHBondContact OD1-NE 2.88Å; D326-R330 IonicContact OD1-NH2 3.66Å; D326-R330 IonicContact OD2-CZ 3.05Å; D326-R330 IonicContact OD2-NE 3.02Å; D326-R330 PolarHBondContact OD2-NE 2.67Å; D326-R330 IonicContact OD2-NH2 2.67Å; D326-R330 PolarHBondContact OD2-NH2 3.19Å
327C92.8Very high93.2Very high10 Ų1081.6 Ų81.67%0.06841%0.414CS..Hα-helixtrans-65.6-40.6174.3-1710000112.9K323 A324 R325 L329 R330 Y331 L346K323-C327 VanDerWaalsContact O-CB 3.26Å; K323-C327 WeakPolarHBondContact O-CB 3.41Å; K323-C327 PolarHBondContact O-N 3.28Å; A324-C327 PolarHBondContact O-N 3.27Å; R325-C327 VanDerWaalsContact C-N 3.34Å; C327-L329 VanDerWaalsContact C-N 3.33Å; C327-R330 PolarHBondContact O-N 2.79Å; C327-Y331 WeakPolarHBondContact O-CD2 3.48Å; C327-Y331 PolarHBondContact O-N 3.41Å; C327-Y331 VanDerWaalsContact SG-CD2 3.59Å; C327-L346 HydrophobicContact CB-CD1 3.49Å; C327-L346 VanDerWaalsContact CB-CD1 3.49Å
328E92.5Very high92.9Very high63 Ų6386.5 Ų86.529%0.29444%0.437SS..Hα-helixtrans-62.5-39.7175-78.1179.4169.700111.6A324 R325 Q332 I343 R347A324-E328 WeakPolarHBondContact O-CB 3.41Å; A324-E328 WeakPolarHBondContact O-CG 3.34Å; A324-E328 PolarHBondContact O-N 3.38Å; R325-E328 PolarHBondContact O-N 3Å; E328-Q332 WeakPolarHBondContact O-CA 3.48Å; E328-Q332 PolarHBondContact O-N 3.17Å; E328-Q332 VanDerWaalsContact O-N 3.16Å; E328-I343 HydrophobicContact CG-CG1 4.39Å; E328-I343 HydrophobicContact CG-CG2 3.6Å; E328-R347 IonicContact OE1-CZ 3.97Å; E328-R347 IonicContact OE1-NH1 3.01Å; E328-R347 PolarHBondContact OE1-NH1 3.36Å
329L93.7Very high92.7Very high120 Ų12084.4 Ų84.463%0.62843%0.427SS*.Hα-helixtrans-69.2-42.1176.3-73.8167.6000112.4R325 D326 C327 Y331 Q332R325-L329 WeakPolarHBondContact O-CG 3.27Å; R325-L329 PolarHBondContact O-N 2.9Å; D326-L329 PolarHBondContact O-N 3.29Å; C327-L329 VanDerWaalsContact C-N 3.33Å; L329-Y331 VanDerWaalsContact C-N 3.35Å; L329-Y331 PolarHBondContact O-N 2.8Å; L329-Q332 WeakPolarHBondContact O-CB 3.4Å; L329-Q332 PolarHBondContact O-N 3.35Å
330R92.4Very high92.5Very high174 Ų17482.6 Ų82.666%0.65742%0.42SS*.Hα-helixtrans-64.8-35.9-180-74.4177.5-165.3-164.14.9113.5D326 C327D326-R330 WeakPolarHBondContact O-CB 3.46Å; D326-R330 VanDerWaalsContact O-CG 3.26Å; D326-R330 WeakPolarHBondContact O-CG 3.28Å; D326-R330 PolarHBondContact O-N 3.19Å; D326-R330 IonicContact OD1-CZ 3.89Å; D326-R330 IonicContact OD1-NE 3.24Å; D326-R330 PolarHBondContact OD1-NE 2.88Å; D326-R330 IonicContact OD1-NH2 3.66Å; D326-R330 IonicContact OD2-CZ 3.05Å; D326-R330 IonicContact OD2-NE 3.02Å; D326-R330 PolarHBondContact OD2-NE 2.67Å; D326-R330 IonicContact OD2-NH2 2.67Å; D326-R330 PolarHBondContact OD2-NH2 3.19Å; C327-R330 PolarHBondContact O-N 2.79Å
331Y90.1Very high92.3Very high82 Ų8289.4 Ų89.432%0.32244%0.443SS..THydrogen-bonded Turntrans-108.825.1-178.8-56.8-57.3000112.6C327 L329 G333 S334 H339C327-Y331 WeakPolarHBondContact O-CD2 3.48Å; C327-Y331 PolarHBondContact O-N 3.41Å; C327-Y331 VanDerWaalsContact SG-CD2 3.59Å; L329-Y331 VanDerWaalsContact C-N 3.35Å; L329-Y331 PolarHBondContact O-N 2.8Å; Y331-G333 PolarHBondContact O-N 3.37Å; Y331-G333 VanDerWaalsContact O-N 3.15Å; Y331-S334 VanDerWaalsContact O-CB 3.3Å; Y331-S334 WeakPolarHBondContact O-CB 3.29Å; Y331-S334 PolarHBondContact O-N 3.21Å; Y331-H339 HydrophobicContact CD1-CB 4.13Å; Y331-H339 AromaticContact CD1-CD2 3.72Å; Y331-H339 AromaticContact CD1-CE1 3.66Å; Y331-H339 AromaticContact CD1-CG 3.51Å; Y331-H339 AromaticContact CD1-ND1 3.45Å; Y331-H339 WeakPolarHBondContact CD1-ND1 3.28Å; Y331-H339 AromaticContact CD1-NE2 3.79Å; Y331-H339 HydrophobicContact CD2-CB 4.12Å; Y331-H339 AromaticContact CE1-CD2 3.45Å; Y331-H339 VanDerWaalsContact CE1-CD2 3.45Å; Y331-H339 WeakPolarHBondContact CE1-CD2 3.29Å; Y331-H339 AromaticContact CE1-CE1 3.64Å; Y331-H339 AromaticContact CE1-CG 3.78Å; Y331-H339 AromaticContact CE1-ND1 3.86Å; Y331-H339 AromaticContact CE1-NE2 3.34Å; Y331-H339 VanDerWaalsContact CE1-NE2 3.34Å; Y331-H339 WeakPolarHBondContact CE1-NE2 3.46Å; Y331-H339 HydrophobicContact CG-CB 3.84Å; Y331-H339 AromaticContact CG-CG 3.75Å; Y331-H339 AromaticContact CZ-CD2 3.67Å; Y331-H339 AromaticContact CZ-NE2 3.9Å
332Q85.4Confident92.1Very high157 Ų15789.9 Ų89.973%0.73445%0.446SS*.THydrogen-bonded Turntrans-58.8120179.7-171.2175.29.300110.2E328 L329 S334E328-Q332 WeakPolarHBondContact O-CA 3.48Å; E328-Q332 PolarHBondContact O-N 3.17Å; E328-Q332 VanDerWaalsContact O-N 3.16Å; L329-Q332 WeakPolarHBondContact O-CB 3.4Å; L329-Q332 PolarHBondContact O-N 3.35Å; Q332-S334 VanDerWaalsContact C-N 3.3Å; Q332-S334 PolarHBondContact O-N 2.69Å
333G86.2Confident91.9Very high80 Ų8088 Ų8883%0.82543%0.43SS*.THydrogen-bonded Turntrans78.56.1-177.600000115.2Y331Y331-G333 PolarHBondContact O-N 3.37Å; Y331-G333 VanDerWaalsContact O-N 3.15Å
334S86.8Confident91.8Very high37 Ų3790.6 Ų90.626%0.25944%0.437SS..  trans-72.7129.8173.8-170.60000111.2Y331 Q332 D336 H339Y331-S334 VanDerWaalsContact O-CB 3.3Å; Y331-S334 WeakPolarHBondContact O-CB 3.29Å; Y331-S334 PolarHBondContact O-N 3.21Å; Q332-S334 VanDerWaalsContact C-N 3.3Å; Q332-S334 PolarHBondContact O-N 2.69Å; S334-D336 PolarHBondContact OG-N 3.01Å; S334-H339 PolarHBondContact OG-ND1 3.27Å
335E87.6Confident91.8Very high181 Ų18198.5 Ų98.585%0.84647%0.465SS*.  trans-92.53.1173.4-61.6-171.6160.800112.9P337E335-P337 WeakPolarHBondContact O-CD 3.19Å
336D90.9Very high91.8Very high71 Ų7193.1 Ų93.138%0.3845%0.448SS..  trans-65.5120.8179.4-173.4-21.6000110.6S334 E338 H339 L340S334-D336 PolarHBondContact OG-N 3.01Å; D336-E338 PolarHBondContact O-N 3.33Å; D336-E338 VanDerWaalsContact O-N 3.1Å; D336-E338 PolarHBondContact OD1-N 2.78Å; D336-H339 HydrophobicContact CB-CB 4.19Å; D336-H339 WeakPolarHBondContact CB-ND1 3.33Å; D336-H339 PolarHBondContact O-N 2.79Å; D336-H339 VanDerWaalsContact O-N 3.17Å; D336-H339 IonicContact OD2-CE1 3.66Å; D336-H339 IonicContact OD2-ND1 3.91Å; D336-H339 IonicContact OD2-NE2 3.88Å; D336-L340 WeakPolarHBondContact O-CG 3.44Å; D336-L340 PolarHBondContact O-N 2.85Å
337P92.7Very high91.8Very high77 Ų7797 Ų9750%0.546%0.458SS..Hα-helixtrans-54-28.3177.4-27.235.5000114.8E335 R341E335-P337 WeakPolarHBondContact O-CD 3.19Å; P337-R341 WeakPolarHBondContact O-CB 3.39Å; P337-R341 WeakPolarHBondContact O-CG 3.28Å; P337-R341 PolarHBondContact O-N 3.5Å; P337-R341 VanDerWaalsContact O-N 3.11Å; P337-R341 PolarHBondContact O-NE 3.43Å
338E92.5Very high92Very high102 Ų102100.9 Ų100.948%0.47748%0.478SS..Hα-helixtrans-76.8-43179-169.255.6-151.500111.7D336 L340 R341 Q342D336-E338 PolarHBondContact O-N 3.33Å; D336-E338 VanDerWaalsContact O-N 3.1Å; D336-E338 PolarHBondContact OD1-N 2.78Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.09Å; E338-R341 PolarHBondContact O-N 3.24Å; E338-R341 IonicContact OE2-CZ 3.8Å; E338-R341 IonicContact OE2-NE 3.64Å; E338-Q342 WeakPolarHBondContact O-CB 3.29Å; E338-Q342 PolarHBondContact O-N 2.93Å
339H93.4Very high92.2Very high48 Ų48100.9 Ų100.922%0.22248%0.482CS..Hα-helixtrans-61.1-42.8173.9-62.4159.9000111.4Y331 S334 D336 R341 Q342 I343Y331-H339 HydrophobicContact CD1-CB 4.13Å; Y331-H339 AromaticContact CD1-CD2 3.72Å; Y331-H339 AromaticContact CD1-CE1 3.66Å; Y331-H339 AromaticContact CD1-CG 3.51Å; Y331-H339 AromaticContact CD1-ND1 3.45Å; Y331-H339 WeakPolarHBondContact CD1-ND1 3.28Å; Y331-H339 AromaticContact CD1-NE2 3.79Å; Y331-H339 HydrophobicContact CD2-CB 4.12Å; Y331-H339 AromaticContact CE1-CD2 3.45Å; Y331-H339 VanDerWaalsContact CE1-CD2 3.45Å; Y331-H339 WeakPolarHBondContact CE1-CD2 3.29Å; Y331-H339 AromaticContact CE1-CE1 3.64Å; Y331-H339 AromaticContact CE1-CG 3.78Å; Y331-H339 AromaticContact CE1-ND1 3.86Å; Y331-H339 AromaticContact CE1-NE2 3.34Å; Y331-H339 VanDerWaalsContact CE1-NE2 3.34Å; Y331-H339 WeakPolarHBondContact CE1-NE2 3.46Å; Y331-H339 HydrophobicContact CG-CB 3.84Å; Y331-H339 AromaticContact CG-CG 3.75Å; Y331-H339 AromaticContact CZ-CD2 3.67Å; Y331-H339 AromaticContact CZ-NE2 3.9Å; S334-H339 PolarHBondContact OG-ND1 3.27Å; D336-H339 HydrophobicContact CB-CB 4.19Å; D336-H339 WeakPolarHBondContact CB-ND1 3.33Å; D336-H339 PolarHBondContact O-N 2.79Å; D336-H339 VanDerWaalsContact O-N 3.17Å; D336-H339 IonicContact OD2-CE1 3.66Å; D336-H339 IonicContact OD2-ND1 3.91Å; D336-H339 IonicContact OD2-NE2 3.88Å; H339-R341 PolarHBondContact O-N 3.23Å; H339-Q342 PolarHBondContact O-N 2.64Å; H339-I343 WeakPolarHBondContact O-CG1 3.37Å; H339-I343 PolarHBondContact O-N 2.89Å
340L91.9Very high92.3Very high66 Ų6695.4 Ų95.435%0.34645%0.454SS..Hα-helixtrans-63.6-39.2176.4-67.1176.3000112.2D336 E338 R344D336-L340 WeakPolarHBondContact O-CG 3.44Å; D336-L340 PolarHBondContact O-N 2.85Å; E338-L340 VanDerWaalsContact C-N 3.32Å; E338-L340 PolarHBondContact O-N 3.09Å; L340-R344 VanDerWaalsContact O-CG 3.27Å; L340-R344 WeakPolarHBondContact O-CG 3.42Å; L340-R344 PolarHBondContact O-N 3.47Å; L340-R344 VanDerWaalsContact O-N 3.1Å
341R93.1Very high92.6Very high156 Ų15690 Ų9059%0.58945%0.446SS*.Hα-helixtrans-63.5-44.9173.7-85.8-176.1-95.7-166.1-2.7111.5P337 E338 H339 R344 R345P337-R341 WeakPolarHBondContact O-CB 3.39Å; P337-R341 WeakPolarHBondContact O-CG 3.28Å; P337-R341 PolarHBondContact O-N 3.5Å; P337-R341 VanDerWaalsContact O-N 3.11Å; P337-R341 PolarHBondContact O-NE 3.43Å; E338-R341 PolarHBondContact O-N 3.24Å; E338-R341 IonicContact OE2-CZ 3.8Å; E338-R341 IonicContact OE2-NE 3.64Å; H339-R341 PolarHBondContact O-N 3.23Å; R341-R344 PolarHBondContact O-N 2.84Å; R341-R345 WeakPolarHBondContact O-CB 3.48Å; R341-R345 PolarHBondContact O-N 3.2Å
342Q92.7Very high92.9Very high64 Ų6491.6 Ų91.630%0.29946%0.46SS..Hα-helixtrans-64.3-43.8179.6-174.161.911.900112.2E338 H339 R344 R345 L346E338-Q342 WeakPolarHBondContact O-CB 3.29Å; E338-Q342 PolarHBondContact O-N 2.93Å; H339-Q342 PolarHBondContact O-N 2.64Å; Q342-R344 PolarHBondContact O-N 3.14Å; Q342-R345 PolarHBondContact O-N 2.95Å; Q342-L346 HydrophobicContact CG-CD1 4.39Å; Q342-L346 WeakPolarHBondContact O-CG 3.42Å; Q342-L346 PolarHBondContact O-N 3.37Å
343I92.9Very high93.4Very high27 Ų2786.9 Ų86.914%0.13844%0.44CS..Hα-helixtrans-57-50.8173.7-71.7167.1000110.4E328 H339 R345 L346 R347E328-I343 HydrophobicContact CG-CG1 4.39Å; E328-I343 HydrophobicContact CG-CG2 3.6Å; H339-I343 WeakPolarHBondContact O-CG1 3.37Å; H339-I343 PolarHBondContact O-N 2.89Å; I343-R345 VanDerWaalsContact C-N 3.32Å; I343-R345 PolarHBondContact O-N 2.9Å; I343-L346 PolarHBondContact O-N 3.49Å; I343-R347 VanDerWaalsContact O-CB 3.27Å; I343-R347 WeakPolarHBondContact O-CB 3.16Å; I343-R347 PolarHBondContact O-N 3.45Å
344R93.5Very high94Very high163 Ų16386.7 Ų86.762%0.61541%0.414SS*.Hα-helixtrans-59.8-42.8179.7-72.5173.8-170176.25.1111.6L340 R341 Q342 R347 N348L340-R344 VanDerWaalsContact O-CG 3.27Å; L340-R344 WeakPolarHBondContact O-CG 3.42Å; L340-R344 PolarHBondContact O-N 3.47Å; L340-R344 VanDerWaalsContact O-N 3.1Å; R341-R344 PolarHBondContact O-N 2.84Å; Q342-R344 PolarHBondContact O-N 3.14Å; R344-R347 PolarHBondContact O-N 3.34Å; R344-N348 WeakPolarHBondContact O-CB 3.3Å; R344-N348 PolarHBondContact O-N 3.03Å; R344-N348 PolarHBondContact O-ND2 2.79Å
345R95.5Very high94.4Very high172 Ų17286.6 Ų86.665%0.64942%0.419SS*.Hα-helixtrans-60.5-49.4178.3-175.3-179.1-178.9175.53.1111.9R341 Q342 I343 N348 T349R341-R345 WeakPolarHBondContact O-CB 3.48Å; R341-R345 PolarHBondContact O-N 3.2Å; Q342-R345 PolarHBondContact O-N 2.95Å; I343-R345 VanDerWaalsContact C-N 3.32Å; I343-R345 PolarHBondContact O-N 2.9Å; R345-N348 PolarHBondContact O-N 3.35Å; R345-T349 WeakPolarHBondContact O-CB 3.5Å; R345-T349 PolarHBondContact O-N 3.34Å; R345-T349 PolarHBondContact O-OG1 3.08Å
346L96Very high94.8Very high39 Ų3978.9 Ų78.920%0.20439%0.387CS..Hα-helixtrans-66.9-40.5179.8-70.2176.5000111.8A324 C327 Q342 I343 T349 A350A324-L346 HydrophobicContact CB-CB 4.03Å; C327-L346 HydrophobicContact CB-CD1 3.49Å; C327-L346 VanDerWaalsContact CB-CD1 3.49Å; Q342-L346 HydrophobicContact CG-CD1 4.39Å; Q342-L346 WeakPolarHBondContact O-CG 3.42Å; Q342-L346 PolarHBondContact O-N 3.37Å; I343-L346 PolarHBondContact O-N 3.49Å; L346-T349 PolarHBondContact O-N 3.16Å; L346-A350 WeakPolarHBondContact O-CB 3.39Å; L346-A350 PolarHBondContact O-N 3.11Å
347R95.3Very high95.1Very high149 Ų14975.6 Ų75.656%0.56237%0.369SS*.Hα-helixtrans-63.5-44176.3-172.8178.1-179.1135.2-6.6112.4E328 I343 R344 A350 A351E328-R347 IonicContact OE1-CZ 3.97Å; E328-R347 IonicContact OE1-NH1 3.01Å; E328-R347 PolarHBondContact OE1-NH1 3.36Å; I343-R347 VanDerWaalsContact O-CB 3.27Å; I343-R347 WeakPolarHBondContact O-CB 3.16Å; I343-R347 PolarHBondContact O-N 3.45Å; R344-R347 PolarHBondContact O-N 3.34Å; R347-A350 PolarHBondContact O-N 2.96Å; R347-A351 WeakPolarHBondContact O-CB 3.44Å; R347-A351 PolarHBondContact O-N 2.93Å
348N96.5Very high95.2Very high91 Ų9174 Ų7449%0.48736%0.363SS..Hα-helixtrans-63.3-45.3175.3-71.1-10.4000110.8R344 R345 A350 A351 D352R344-N348 WeakPolarHBondContact O-CB 3.3Å; R344-N348 PolarHBondContact O-N 3.03Å; R344-N348 PolarHBondContact O-ND2 2.79Å; R345-N348 PolarHBondContact O-N 3.35Å; N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.99Å; N348-A351 PolarHBondContact O-N 2.84Å; N348-A351 VanDerWaalsContact O-N 3.15Å; N348-D352 VanDerWaalsContact O-CG 3.25Å; N348-D352 PolarHBondContact O-N 3.34Å
349T96.7Very high95.2Very high62 Ų6275.4 Ų75.438%0.3837%0.371SS..Hα-helixtrans-58.9-43.4176.6-56.70000111.8R345 L346 D352 L353R345-T349 WeakPolarHBondContact O-CB 3.5Å; R345-T349 PolarHBondContact O-N 3.34Å; R345-T349 PolarHBondContact O-OG1 3.08Å; L346-T349 PolarHBondContact O-N 3.16Å; T349-D352 PolarHBondContact O-N 2.89Å; T349-L353 HydrophobicContact CG2-CD1 4.2Å; T349-L353 WeakPolarHBondContact O-CB 3.3Å; T349-L353 WeakPolarHBondContact O-CG 3.14Å; T349-L353 PolarHBondContact O-N 2.68Å
350A97.2Very high95.3Very high6 Ų678.4 Ų78.45%0.0538%0.38CS..Hα-helixtrans-62.7-43.9175.900000112A320 E321 A324 L346 R347 N348 L353 R354A320-A350 HydrophobicContact CB-CB 4.16Å; E321-A350 HydrophobicContact CG-CB 3.87Å; A324-A350 HydrophobicContact CB-CB 4.28Å; L346-A350 WeakPolarHBondContact O-CB 3.39Å; L346-A350 PolarHBondContact O-N 3.11Å; R347-A350 PolarHBondContact O-N 2.96Å; N348-A350 VanDerWaalsContact C-N 3.32Å; N348-A350 PolarHBondContact O-N 2.99Å; A350-L353 PolarHBondContact O-N 2.97Å; A350-R354 WeakPolarHBondContact O-CB 3.34Å; A350-R354 PolarHBondContact O-N 3.21Å
351A97Very high95.5Very high59 Ų5979.3 Ų79.349%0.48838%0.382SS..Hα-helixtrans-63.4-42.6176.900000112.5R347 N348 R354 G355R347-A351 WeakPolarHBondContact O-CB 3.44Å; R347-A351 PolarHBondContact O-N 2.93Å; N348-A351 PolarHBondContact O-N 2.84Å; N348-A351 VanDerWaalsContact O-N 3.15Å; A351-R354 PolarHBondContact O-N 3.47Å; A351-G355 PolarHBondContact O-N 3.28Å
352D96.7Very high95.5Very high116 Ų11676.5 Ų76.562%0.6238%0.379SS*.Hα-helixtrans-63.6-45.4177.9-67.9-23.1000111.3N348 T349 R354 G355 A356N348-D352 VanDerWaalsContact O-CG 3.25Å; N348-D352 PolarHBondContact O-N 3.34Å; T349-D352 PolarHBondContact O-N 2.89Å; D352-R354 VanDerWaalsContact C-N 3.34Å; D352-R354 PolarHBondContact O-N 2.81Å; D352-G355 PolarHBondContact O-N 2.85Å; D352-A356 WeakPolarHBondContact O-CB 3.26Å; D352-A356 PolarHBondContact O-N 3.05Å
353L97Very high95.5Very high59 Ų5975.2 Ų75.231%0.30938%0.376SS..Hα-helixtrans-64.2-38.4176-71.9173.7000112A317 A320 T349 A350 A356 V357A317-L353 HydrophobicContact CB-CB 4.1Å; A320-L353 HydrophobicContact CB-CD1 3.54Å; T349-L353 HydrophobicContact CG2-CD1 4.2Å; T349-L353 WeakPolarHBondContact O-CB 3.3Å; T349-L353 WeakPolarHBondContact O-CG 3.14Å; T349-L353 PolarHBondContact O-N 2.68Å; A350-L353 PolarHBondContact O-N 2.97Å; L353-A356 WeakPolarHBondContact O-CB 3.37Å; L353-A356 PolarHBondContact O-N 3.43Å; L353-V357 WeakPolarHBondContact O-CG2 3.36Å; L353-V357 PolarHBondContact O-N 2.74Å
354R97.6Very high95.6Very high75 Ų7574.9 Ų74.928%0.28338%0.375SS..Hα-helixtrans-64.6-40.8174.2-17659.364.5-168.16.9111.9E314 E321 A350 A351 D352 A356 V357 A358E314-R354 IonicContact OE1-CZ 3.62Å; E314-R354 IonicContact OE1-NH1 2.72Å; E314-R354 PolarHBondContact OE1-NH1 3.09Å; E314-R354 IonicContact OE1-NH2 3.59Å; E314-R354 IonicContact OE2-NH1 3.01Å; E314-R354 PolarHBondContact OE2-NH1 3.41Å; E321-R354 IonicContact OE1-CZ 3.2Å; E321-R354 IonicContact OE1-NE 2.69Å; E321-R354 PolarHBondContact OE1-NE 2.81Å; E321-R354 IonicContact OE1-NH2 2.95Å; E321-R354 PolarHBondContact OE1-NH2 2.66Å; E321-R354 IonicContact OE2-CZ 3.73Å; E321-R354 IonicContact OE2-NE 3.97Å; E321-R354 IonicContact OE2-NH2 2.72Å; E321-R354 PolarHBondContact OE2-NH2 3.32Å; A350-R354 WeakPolarHBondContact O-CB 3.34Å; A350-R354 PolarHBondContact O-N 3.21Å; A351-R354 PolarHBondContact O-N 3.47Å; D352-R354 VanDerWaalsContact C-N 3.34Å; D352-R354 PolarHBondContact O-N 2.81Å; R354-A356 VanDerWaalsContact C-N 3.3Å; R354-A356 PolarHBondContact O-N 2.97Å; R354-V357 WeakPolarHBondContact O-CB 3.36Å; R354-V357 PolarHBondContact O-N 3.24Å; R354-A358 PolarHBondContact O-N 2.92Å
355G96.6Very high95.7Very high35 Ų3570.3 Ų70.336%0.36137%0.365SS..Hα-helixtrans-59.8-40.8171.100000112.2A351 D352 V357 A358 M359A351-G355 PolarHBondContact O-N 3.28Å; D352-G355 PolarHBondContact O-N 2.85Å; G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.43Å; G355-A358 PolarHBondContact O-N 3.2Å; G355-M359 PolarHBondContact O-N 3.22Å; G355-M359 VanDerWaalsContact O-N 3.13Å
356A94.7Very high95.5Very high20 Ų2068.3 Ų68.317%0.16536%0.358CS..Hα-helixtrans-67.1-28.7177.300000113.6D352 L353 R354 R360D352-A356 WeakPolarHBondContact O-CB 3.26Å; D352-A356 PolarHBondContact O-N 3.05Å; L353-A356 WeakPolarHBondContact O-CB 3.37Å; L353-A356 PolarHBondContact O-N 3.43Å; R354-A356 VanDerWaalsContact C-N 3.3Å; R354-A356 PolarHBondContact O-N 2.97Å; A356-R360 WeakPolarHBondContact O-CG 3.47Å; A356-R360 PolarHBondContact O-N 2.98Å; A356-R360 PolarHBondContact O-NH1 3.32Å; A356-R360 VanDerWaalsContact O-NH1 3.13Å
357V97.3Very high95.3Very high1 Ų167.7 Ų67.71%0.00635%0.353CS..Hα-helixtrans-66.5-50169.6169.50000110.6A313 E314 A317 L353 R354 G355 M359 R360 Q361A313-V357 VanDerWaalsContact C-CG2 3.45Å; A313-V357 HydrophobicContact CB-CG2 3.85Å; A313-V357 WeakPolarHBondContact O-CG2 3.17Å; E314-V357 WeakPolarHBondContact OE2-CG1 3.41Å; A317-V357 HydrophobicContact CB-CG2 3.78Å; L353-V357 WeakPolarHBondContact O-CG2 3.36Å; L353-V357 PolarHBondContact O-N 2.74Å; R354-V357 WeakPolarHBondContact O-CB 3.36Å; R354-V357 PolarHBondContact O-N 3.24Å; G355-V357 VanDerWaalsContact C-N 3.32Å; G355-V357 PolarHBondContact O-N 3.43Å; V357-M359 VanDerWaalsContact C-N 3.27Å; V357-M359 PolarHBondContact O-N 3.41Å; V357-R360 PolarHBondContact O-N 3.04Å; V357-Q361 HydrophobicContact CG1-CG 4.18Å; V357-Q361 PolarHBondContact O-N 3.33Å
358A96Very high95.2Very high44 Ų4464.1 Ų64.136%0.36435%0.345SS..Hα-helixtrans-58.3-40.8-177.900000111.6R354 G355 R360 Q361 N362R354-A358 PolarHBondContact O-N 2.92Å; G355-A358 PolarHBondContact O-N 3.2Å; A358-R360 PolarHBondContact O-N 3.45Å; A358-Q361 PolarHBondContact O-N 3.39Å; A358-N362 PolarHBondContact O-N 3.03Å; A358-N362 PolarHBondContact O-ND2 2.9Å
359M92.6Very high95Very high131 Ų13166.4 Ų66.465%0.64535%0.35SS*.Hα-helixtrans-59.4-45.8173.6-72-168.1-80.400112.5G355 V357 N362 V363G355-M359 PolarHBondContact O-N 3.22Å; G355-M359 VanDerWaalsContact O-N 3.13Å; V357-M359 VanDerWaalsContact C-N 3.27Å; V357-M359 PolarHBondContact O-N 3.41Å; M359-N362 WeakPolarHBondContact O-CB 3.5Å; M359-N362 PolarHBondContact O-N 3.45Å; M359-V363 PolarHBondContact O-N 3.12Å
360R94.1Very high94.7Very high111 Ų11166.2 Ų66.242%0.41935%0.352SS..Hα-helixtrans-68.2-35.1177.8-69.6179.117684.7-1.2112.6V310 A356 V357 A358 N362 V363 V364V310-R360 VanDerWaalsContact CG2-C 3.42Å; V310-R360 HydrophobicContact CG2-CB 3.58Å; V310-R360 WeakPolarHBondContact CG2-O 3.2Å; A356-R360 WeakPolarHBondContact O-CG 3.47Å; A356-R360 PolarHBondContact O-N 2.98Å; A356-R360 PolarHBondContact O-NH1 3.32Å; A356-R360 VanDerWaalsContact O-NH1 3.13Å; V357-R360 PolarHBondContact O-N 3.04Å; A358-R360 PolarHBondContact O-N 3.45Å; R360-N362 VanDerWaalsContact C-N 3.3Å; R360-N362 PolarHBondContact O-N 2.96Å; R360-V363 WeakPolarHBondContact O-CB 3.34Å; R360-V363 PolarHBondContact O-N 3.35Å; R360-V364 PolarHBondContact O-N 3.18Å
361Q96.5Very high94.3Very high85 Ų8567.9 Ų67.940%0.39736%0.36SS..Hα-helixtrans-64.1-36173.7-75.3176.1-6.900112V310 V357 A358 V364 T365V310-Q361 HydrophobicContact CG1-CG 3.66Å; V310-Q361 HydrophobicContact CG2-CG 4.16Å; V357-Q361 HydrophobicContact CG1-CG 4.18Å; V357-Q361 PolarHBondContact O-N 3.33Å; A358-Q361 PolarHBondContact O-N 3.39Å; Q361-V364 PolarHBondContact O-N 2.95Å; Q361-T365 WeakPolarHBondContact O-CB 3.45Å; Q361-T365 PolarHBondContact O-N 3.46Å; Q361-T365 PolarHBondContact O-OG1 3.33Å
362N94Very high94Very high97 Ų9772.9 Ų72.952%0.51937%0.37SS..Hα-helixtrans-63-42.2173.1-70.7-24.3000111.4A358 M359 R360 T365 R366A358-N362 PolarHBondContact O-N 3.03Å; A358-N362 PolarHBondContact O-ND2 2.9Å; M359-N362 WeakPolarHBondContact O-CB 3.5Å; M359-N362 PolarHBondContact O-N 3.45Å; R360-N362 VanDerWaalsContact C-N 3.3Å; R360-N362 PolarHBondContact O-N 2.96Å; N362-T365 WeakPolarHBondContact O-CB 3.34Å; N362-T365 PolarHBondContact O-N 3.37Å; N362-R366 WeakPolarHBondContact O-CG 3.39Å; N362-R366 PolarHBondContact O-N 3.03Å
363V91.6Very high93.6Very high37 Ų3772 Ų7222%0.22437%0.366CS..Hα-helixtrans-58.7-49.7173.9176.50000111M359 R360 T365 R366 K367M359-V363 PolarHBondContact O-N 3.12Å; R360-V363 WeakPolarHBondContact O-CB 3.34Å; R360-V363 PolarHBondContact O-N 3.35Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.13Å; V363-R366 PolarHBondContact O-N 2.89Å; V363-R366 VanDerWaalsContact O-N 3.16Å; V363-K367 HydrophobicContact CG1-CD 4.22Å; V363-K367 HydrophobicContact CG1-CG 4.49Å; V363-K367 WeakPolarHBondContact O-CG 3.18Å; V363-K367 PolarHBondContact O-N 3.39Å
364V94.9Very high93.3Very high20 Ų2074.1 Ų74.112%0.12138%0.383CS..Hα-helixtrans-58.5-40.4176.4171.90000111.6L303 A306 K307 V310 R360 Q361 K367 L368L303-V364 HydrophobicContact CD1-CG1 4.13Å; A306-V364 VanDerWaalsContact C-CG2 3.44Å; A306-V364 HydrophobicContact CB-CG2 3.75Å; A306-V364 WeakPolarHBondContact O-CG2 3.49Å; K307-V364 HydrophobicContact CG-CG1 3.78Å; K307-V364 HydrophobicContact CG-CG2 4.29Å; V310-V364 HydrophobicContact CG2-CG2 3.59Å; R360-V364 PolarHBondContact O-N 3.18Å; Q361-V364 PolarHBondContact O-N 2.95Å; V364-K367 PolarHBondContact O-N 3.49Å; V364-L368 VanDerWaalsContact O-CB 3.26Å; V364-L368 WeakPolarHBondContact O-CB 3.35Å; V364-L368 PolarHBondContact O-N 2.87Å
365T95.2Very high93.1Very high68 Ų6871.7 Ų71.742%0.41737%0.374SS..Hα-helixtrans-64.4-40.7178.2-59.20000111.7Q361 N362 V363 K369Q361-T365 WeakPolarHBondContact O-CB 3.45Å; Q361-T365 PolarHBondContact O-N 3.46Å; Q361-T365 PolarHBondContact O-OG1 3.33Å; N362-T365 WeakPolarHBondContact O-CB 3.34Å; N362-T365 PolarHBondContact O-N 3.37Å; V363-T365 VanDerWaalsContact C-N 3.27Å; V363-T365 PolarHBondContact O-N 3.13Å; T365-K369 WeakPolarHBondContact O-CG 3.44Å; T365-K369 PolarHBondContact O-N 3.2Å; T365-K369 VanDerWaalsContact O-N 3.11Å
366R91.8Very high92.9Very high130 Ų13072 Ų7249%0.49137%0.369SS..Hα-helixtrans-63.2-49.5173.9-70.6-164-65.7-123.43.4111.3D91 N362 V363 L368 K369 S370D91-R366 IonicContact OD2-CZ 3.09Å; D91-R366 IonicContact OD2-NE 3.21Å; D91-R366 PolarHBondContact OD2-NE 2.95Å; D91-R366 IonicContact OD2-NH2 2.66Å; D91-R366 PolarHBondContact OD2-NH2 3.34Å; N362-R366 WeakPolarHBondContact O-CG 3.39Å; N362-R366 PolarHBondContact O-N 3.03Å; V363-R366 PolarHBondContact O-N 2.89Å; V363-R366 VanDerWaalsContact O-N 3.16Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 2.92Å; R366-K369 WeakPolarHBondContact O-CB 3.32Å; R366-K369 PolarHBondContact O-N 3.43Å; R366-K369 VanDerWaalsContact O-N 3.09Å; R366-S370 PolarHBondContact O-N 2.97Å
367K92.1Very high93Very high26 Ų2671.3 Ų71.311%0.11336%0.363CS..Hα-helixtrans-61.5-39.3178.5-67.1-173.1-179-166.60112.4E90 D302 L303 A306 V363 V364 K369 S370 I371E90-K367 IonicContact OE1-NZ 3.67Å; E90-K367 WeakPolarHBondContact OE2-CE 3.34Å; E90-K367 IonicContact OE2-NZ 2.68Å; E90-K367 PolarHBondContact OE2-NZ 3.29Å; D302-K367 IonicContact OD1-NZ 3.5Å; D302-K367 PolarHBondContact OD1-NZ 2.91Å; D302-K367 WeakPolarHBondContact OD2-CD 3.39Å; D302-K367 WeakPolarHBondContact OD2-CE 3.1Å; D302-K367 IonicContact OD2-NZ 3.88Å; D302-K367 PolarHBondContact OD2-NZ 2.91Å; L303-K367 HydrophobicContact CD1-CB 3.76Å; A306-K367 HydrophobicContact CB-CD 3.93Å; V363-K367 HydrophobicContact CG1-CD 4.22Å; V363-K367 HydrophobicContact CG1-CG 4.49Å; V363-K367 WeakPolarHBondContact O-CG 3.18Å; V363-K367 PolarHBondContact O-N 3.39Å; V364-K367 PolarHBondContact O-N 3.49Å; K367-K369 VanDerWaalsContact C-N 3.31Å; K367-K369 PolarHBondContact O-N 3.36Å; K367-S370 PolarHBondContact O-N 2.93Å; K367-I371 PolarHBondContact O-N 3.49Å
368L93.7Very high93Very high73 Ų7373 Ų7338%0.38237%0.373SS..Hα-helixtrans-68.5-26.9175.8-172.268.3000113.2L303 V364 R366 I371L303-L368 HydrophobicContact CD1-CB 4.34Å; L303-L368 HydrophobicContact CD2-CD1 3.92Å; V364-L368 VanDerWaalsContact O-CB 3.26Å; V364-L368 WeakPolarHBondContact O-CB 3.35Å; V364-L368 PolarHBondContact O-N 2.87Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 2.92Å; L368-I371 HydrophobicContact CD1-CG2 4.25Å; L368-I371 WeakPolarHBondContact O-CG2 3.39Å
369K92.4Very high93.1Very high139 Ų13970.9 Ų70.960%0.60436%0.355SS*.Hα-helixtrans-72.8-49.9169.8-73.2175.4-178.6-179.80110.1T365 R366 K367 I371 K372T365-K369 WeakPolarHBondContact O-CG 3.44Å; T365-K369 PolarHBondContact O-N 3.2Å; T365-K369 VanDerWaalsContact O-N 3.11Å; R366-K369 WeakPolarHBondContact O-CB 3.32Å; R366-K369 PolarHBondContact O-N 3.43Å; R366-K369 VanDerWaalsContact O-N 3.09Å; K367-K369 VanDerWaalsContact C-N 3.31Å; K367-K369 PolarHBondContact O-N 3.36Å; K369-I371 VanDerWaalsContact C-N 3.28Å; K369-I371 PolarHBondContact O-N 2.9Å; K369-K372 WeakPolarHBondContact O-CB 3.39Å; K369-K372 PolarHBondContact O-N 2.95Å; K369-K372 VanDerWaalsContact O-N 3.08Å
370S89Confident93.3Very high58 Ų5867.7 Ų67.741%0.40634%0.337SS..Hα-helixtrans-55.2-40.9178.5173.10000112.2R366 K367 K372 D373 K375R366-S370 PolarHBondContact O-N 2.97Å; K367-S370 PolarHBondContact O-N 2.93Å; S370-K372 PolarHBondContact O-N 2.83Å; S370-K372 VanDerWaalsContact O-N 3.15Å; S370-D373 WeakPolarHBondContact O-CB 3.4Å; S370-D373 PolarHBondContact O-N 3.2Å; S370-K375 PolarHBondContact O-NZ 3.25Å
371I90.1Very high93.5Very high42 Ų4262.4 Ų62.422%0.21532%0.317CS..THydrogen-bonded Turntrans-65.7-19.7-178-147.4160.3000114.4E300 L303 K367 L368 K369 D373E300-I371 HydrophobicContact CB-CD1 4.21Å; E300-I371 HydrophobicContact CG-CD1 3.5Å; E300-I371 HydrophobicContact CG-CG1 4.33Å; L303-I371 HydrophobicContact CB-CD1 4.32Å; L303-I371 HydrophobicContact CD2-CD1 3.69Å; L303-I371 HydrophobicContact CD2-CG2 4.21Å; K367-I371 PolarHBondContact O-N 3.49Å; L368-I371 HydrophobicContact CD1-CG2 4.25Å; L368-I371 WeakPolarHBondContact O-CG2 3.39Å; K369-I371 VanDerWaalsContact C-N 3.28Å; K369-I371 PolarHBondContact O-N 2.9Å; I371-D373 VanDerWaalsContact C-N 3.31Å
372K90.1Very high93.6Very high163 Ų16358.4 Ų58.471%0.70930%0.298SS*.THydrogen-bonded Turntrans-75.8-24174.9-63.4177.3-177.6-176.60112K369 S370K369-K372 WeakPolarHBondContact O-CB 3.39Å; K369-K372 PolarHBondContact O-N 2.95Å; K369-K372 VanDerWaalsContact O-N 3.08Å; S370-K372 PolarHBondContact O-N 2.83Å; S370-K372 VanDerWaalsContact O-N 3.15Å
373D88.2Confident93.8Very high99 Ų9953.8 Ų53.853%0.52927%0.274SS..SBendtrans-74.6138.7176.1-58-37.6000109.7S370 I371 K375S370-D373 WeakPolarHBondContact O-CB 3.4Å; S370-D373 PolarHBondContact O-N 3.2Å; I371-D373 VanDerWaalsContact C-N 3.31Å; D373-K375 PolarHBondContact O-N 3.2Å; D373-K375 PolarHBondContact O-NZ 3.13Å
374P90.1Very high94Very high102 Ų10253.1 Ų53.166%0.66227%0.268SS*.  trans-52128.2178.3-26.734.5000112.1T376P374-T376 HydrophobicContact CB-CG2 3.91Å; P374-T376 PolarHBondContact O-N 3.2Å
375K93.5Very high94Very high24 Ų2452.1 Ų52.110%0.10426%0.263CS..  trans-86.367.3178.1-65.4-75.5160-74.90109.6S292 F295 R296 A299 S370 D373S292-K375 PolarHBondContact N-O 3.03Å; S292-K375 VanDerWaalsContact N-O 3.1Å; F295-K375 HydrophobicContact CB-CB 4.16Å; F295-K375 HydrophobicContact CD1-CB 3.85Å; F295-K375 HydrophobicContact CD1-CD 4.06Å; F295-K375 HydrophobicContact CD2-CD 3.73Å; F295-K375 HydrophobicContact CE1-CB 4.4Å; F295-K375 HydrophobicContact CE1-CD 3.99Å; F295-K375 HydrophobicContact CE2-CD 3.63Å; F295-K375 HydrophobicContact CG-CB 3.93Å; F295-K375 HydrophobicContact CG-CD 3.93Å; F295-K375 HydrophobicContact CZ-CD 3.77Å; R296-K375 HydrophobicContact CB-CB 4.04Å; R296-K375 HydrophobicContact CB-CG 4.27Å; A299-K375 HydrophobicContact CB-CD 4.06Å; S370-K375 PolarHBondContact O-NZ 3.25Å; D373-K375 PolarHBondContact O-N 3.2Å; D373-K375 PolarHBondContact O-NZ 3.13Å
376T93.9Very high93.9Very high43 Ų4353.4 Ų53.426%0.26427%0.265SS..EExtended strand (participates in β ladder)trans-112.2143.7-175.256.50000111.3F290 A291 P374F290-T376 CarbonylContact O-C 3.28Å; F290-T376 WeakPolarHBondContact O-CA 3.21Å; F290-T376 WeakPolarHBondContact O-CB 3.33Å; A291-T376 HydrophobicContact CB-CG2 4.4Å; P374-T376 HydrophobicContact CB-CG2 3.91Å; P374-T376 PolarHBondContact O-N 3.2Å
377L96Very high93.9Very high5 Ų548.6 Ų48.63%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-91.4143161.6-57.5179.6000108.6F290 F379 V425 P428 V431 L450F290-L377 HydrophobicContact CD1-CB 4.43Å; F290-L377 HydrophobicContact CD1-CD1 4.31Å; F290-L377 PolarHBondContact N-O 3.27Å; F290-L377 PolarHBondContact O-N 3.1Å; L377-F379 HydrophobicContact CB-CE1 3.94Å; L377-F379 HydrophobicContact CD1-CE1 4.45Å; L377-V425 HydrophobicContact CB-CG2 4.44Å; L377-P428 HydrophobicContact CD2-CG 4.29Å; L377-V431 HydrophobicContact CD1-CG1 4.41Å; L377-L450 HydrophobicContact CD1-CD1 3.67Å
378T96.9Very high93.9Very high35 Ų3547.9 Ų47.922%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-106.5114.9177.7-51.70000109.1K287 Y288 Y380K287-T378 HydrophobicContact CB-CG2 3.93Å; Y288-T378 CarbonylContact O-C 3.57Å; Y288-T378 WeakPolarHBondContact O-CA 3.38Å; T378-Y380 HydrophobicContact CG2-CD2 4.37Å; T378-Y380 HydrophobicContact CG2-CE1 3.9Å; T378-Y380 HydrophobicContact CG2-CE2 3.72Å; T378-Y380 VanDerWaalsContact CG2-CZ 3.45Å
379F98Very high93.7Very high0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-90.9129173.7-54.2-26.8000109.2K287 Y288 F290 L377 F381 V425 L450 A453 M454 H457K287-F379 CarbonylContact C-O 3.55Å; K287-F379 VanDerWaalsContact CA-O 3.23Å; K287-F379 WeakPolarHBondContact CA-O 3.41Å; Y288-F379 PolarHBondContact N-O 3.05Å; Y288-F379 PolarHBondContact O-N 3.4Å; F290-F379 HydrophobicContact CB-CD2 4.13Å; F290-F379 HydrophobicContact CB-CE1 4.22Å; F290-F379 HydrophobicContact CB-CE2 3.46Å; F290-F379 VanDerWaalsContact CB-CE2 3.46Å; F290-F379 HydrophobicContact CB-CZ 3.51Å; F290-F379 HydrophobicContact CD1-CE1 4.47Å; F290-F379 HydrophobicContact CD1-CE2 4.29Å; F290-F379 AromaticContact CD1-CZ 3.67Å; F290-F379 HydrophobicContact CD1-CZ 3.67Å; F290-F379 HydrophobicContact CD2-CE2 4.4Å; F290-F379 AromaticContact CG-CE2 3.81Å; F290-F379 HydrophobicContact CG-CE2 3.81Å; F290-F379 AromaticContact CG-CZ 3.67Å; F290-F379 HydrophobicContact CG-CZ 3.67Å; L377-F379 HydrophobicContact CB-CE1 3.94Å; L377-F379 HydrophobicContact CD1-CE1 4.45Å; F379-F381 HydrophobicContact CB-CE2 3.75Å; F379-F381 HydrophobicContact CB-CZ 4.23Å; F379-V425 HydrophobicContact CD1-CB 3.97Å; F379-V425 HydrophobicContact CD1-CG2 3.69Å; F379-V425 HydrophobicContact CE1-CB 4.42Å; F379-V425 HydrophobicContact CE1-CG2 3.84Å; F379-L450 HydrophobicContact CE1-CD1 3.72Å; F379-L450 HydrophobicContact CZ-CD1 3.83Å; F379-A453 HydrophobicContact CE2-CB 4.36Å; F379-A453 HydrophobicContact CZ-CB 4.4Å; F379-M454 HydrophobicContact CD1-CE 4.5Å; F379-M454 HydrophobicContact CD1-CG 3.96Å; F379-M454 HydrophobicContact CD1-SD 4.46Å; F379-M454 HydrophobicContact CD2-CG 4.1Å; F379-M454 HydrophobicContact CE1-CG 3.76Å; F379-M454 HydrophobicContact CE1-SD 4.43Å; F379-M454 HydrophobicContact CE2-CG 3.88Å; F379-M454 HydrophobicContact CG-CG 4.14Å; F379-M454 HydrophobicContact CZ-CG 3.71Å; F379-H457 HydrophobicContact CD2-CB 3.93Å; F379-H457 AromaticContact CD2-CG 3.66Å; F379-H457 AromaticContact CD2-ND1 3.74Å; F379-H457 AromaticContact CE2-CE1 3.85Å; F379-H457 AromaticContact CE2-ND1 3.59Å
380Y98.2Very high93.7Very high65 Ų6539.2 Ų39.226%0.25521%0.21SC..EExtended strand (participates in β ladder)trans-110139172.9-55.9-90.2000109.4L279 R286 K287 T378 G423 I424 P558L279-Y380 HydrophobicContact CD1-CD1 4.31Å; L279-Y380 HydrophobicContact CD1-CG 4.3Å; L279-Y380 HydrophobicContact CD2-CD1 3.56Å; L279-Y380 HydrophobicContact CD2-CE1 4.02Å; L279-Y380 HydrophobicContact CD2-CG 4.03Å; R286-Y380 CarbonylContact O-C 3.45Å; R286-Y380 WeakPolarHBondContact O-CA 3.27Å; K287-Y380 HydrophobicContact CB-CD1 3.63Å; K287-Y380 HydrophobicContact CB-CE1 3.68Å; K287-Y380 HydrophobicContact CD-CE1 4.23Å; T378-Y380 HydrophobicContact CG2-CD2 4.37Å; T378-Y380 HydrophobicContact CG2-CE1 3.9Å; T378-Y380 HydrophobicContact CG2-CE2 3.72Å; T378-Y380 VanDerWaalsContact CG2-CZ 3.45Å; Y380-G423 CarbonylContact O-C 3.51Å; Y380-G423 VanDerWaalsContact O-CA 3.22Å; Y380-G423 WeakPolarHBondContact O-CA 3.42Å; Y380-I424 PolarHBondContact N-O 3.31Å; Y380-I424 PolarHBondContact O-N 2.88Å; Y380-P558 HydrophobicContact CD1-CG 3.69Å; Y380-P558 HydrophobicContact CE1-CG 4.04Å
381F98.2Very high93.9Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-129.5148.6174.5-63.9-80.7000110.5T285 R286 Y288 F379 M393 V421 V422 H457 L458 Y461T285-F381 CarbonylContact C-O 3.59Å; T285-F381 WeakPolarHBondContact CA-O 3.38Å; R286-F381 PolarHBondContact N-O 3.42Å; R286-F381 PolarHBondContact O-N 3.31Å; Y288-F381 AromaticContact CD2-CD2 3.7Å; Y288-F381 HydrophobicContact CD2-CD2 3.7Å; Y288-F381 HydrophobicContact CD2-CE2 4.01Å; Y288-F381 AromaticContact CE2-CD2 3.82Å; Y288-F381 HydrophobicContact CE2-CD2 3.82Å; Y288-F381 HydrophobicContact CE2-CE2 4.42Å; F379-F381 HydrophobicContact CB-CE2 3.75Å; F379-F381 HydrophobicContact CB-CZ 4.23Å; F381-M393 HydrophobicContact CE1-CE 4.27Å; F381-M393 HydrophobicContact CE1-SD 3.83Å; F381-V421 HydrophobicContact CB-CG1 4.46Å; F381-V421 HydrophobicContact CD1-CG1 4.26Å; F381-V422 WeakPolarHBondContact CA-O 3.44Å; F381-H457 HydrophobicContact CE2-CB 3.74Å; F381-H457 HydrophobicContact CZ-CB 4.04Å; F381-L458 HydrophobicContact CD1-CD1 3.95Å; F381-L458 HydrophobicContact CE1-CB 3.82Å; F381-L458 HydrophobicContact CE1-CD1 4.01Å; F381-L458 HydrophobicContact CE1-CG 4.49Å; F381-L458 HydrophobicContact CZ-CB 4.11Å; F381-Y461 HydrophobicContact CB-CD1 3.62Å; F381-Y461 HydrophobicContact CB-CD2 3.64Å; F381-Y461 HydrophobicContact CB-CE1 3.87Å; F381-Y461 HydrophobicContact CB-CE2 3.9Å; F381-Y461 HydrophobicContact CB-CG 3.48Å; F381-Y461 VanDerWaalsContact CB-CG 3.48Å; F381-Y461 HydrophobicContact CD2-CG 4.43Å; F381-Y461 HydrophobicContact CG-CD1 4.26Å; F381-Y461 HydrophobicContact CG-CG 4.04Å
382G97.8Very high94.2Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-162.6155.717700000111.5V422 Y461G382-V422 PolarHBondContact N-O 2.86Å; G382-V422 PolarHBondContact O-N 2.78Å; G382-Y461 VanDerWaalsContact CA-OH 3.24Å; G382-Y461 WeakPolarHBondContact CA-OH 3.2Å
383V97.5Very high94.6Very high1 Ų126.9 Ų26.91%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-91.1126.6178.6-172.50000110.5H283 V385 V421 Y461 L465 F477 W478H283-V383 HydrophobicContact CB-CB 4.35Å; H283-V383 WeakPolarHBondContact CB-O 3.32Å; H283-V383 PolarHBondContact N-O 3.39Å; H283-V383 PolarHBondContact O-N 2.59Å; V383-V385 VanDerWaalsContact C-N 3.35Å; V383-V385 HydrophobicContact CB-CG1 4.41Å; V383-V385 HydrophobicContact CG1-CG1 4.07Å; V383-V385 PolarHBondContact O-N 3.49Å; V383-V421 HydrophobicContact CG2-CG2 4.48Å; V383-Y461 HydrophobicContact CG2-CE1 4.39Å; V383-Y461 PolarHBondContact N-OH 2.77Å; V383-L465 HydrophobicContact CG2-CD1 3.67Å; V383-L465 HydrophobicContact CG2-CD2 4.46Å; V383-F477 HydrophobicContact CG1-CE1 4.08Å; V383-F477 HydrophobicContact CG1-CZ 4.07Å; V383-W478 HydrophobicContact CG1-CH2 3.48Å; V383-W478 VanDerWaalsContact CG1-CH2 3.48Å; V383-W478 HydrophobicContact CG1-CZ2 4.02Å; V383-W478 HydrophobicContact CG1-CZ3 4.24Å
384N95.9Very high95Very high22 Ų2222.2 Ų22.212%0.11812%0.123CC..  trans-81.280175.6-169.4-6.8000110.9L282 M386 N387 R388 C390 G420 V422L282-N384 HydrophobicContact CD2-CB 3.96Å; N384-M386 PolarHBondContact O-N 2.86Å; N384-M386 PolarHBondContact OD1-N 3.4Å; N384-N387 PolarHBondContact ND2-O 3.36Å; N384-N387 VanDerWaalsContact ND2-O 3.11Å; N384-N387 CarbonylContact O-C 3.28Å; N384-N387 VanDerWaalsContact O-C 3.28Å; N384-N387 PolarHBondContact O-N 2.81Å; N384-N387 PolarHBondContact OD1-N 3.35Å; N384-R388 WeakPolarHBondContact O-CA 3.47Å; N384-R388 PolarHBondContact O-N 3.19Å; N384-C390 PolarHBondContact ND2-O 3.44Å; N384-G420 PolarHBondContact N-O 2.61Å; N384-V422 HydrophobicContact CB-CG2 3.97Å
385V95.3Very high95.4Very high0 Ų017.4 Ų17.40%09%0.091CC..SBendtrans-71.6-14.4179.2-62.10000113.5H283 V383 F481 Y483 R502 V506H283-V385 HydrophobicContact CB-CG1 3.66Å; H283-V385 HydrophobicContact CB-CG2 4.05Å; V383-V385 VanDerWaalsContact C-N 3.35Å; V383-V385 HydrophobicContact CB-CG1 4.41Å; V383-V385 HydrophobicContact CG1-CG1 4.07Å; V383-V385 PolarHBondContact O-N 3.49Å; V385-F481 HydrophobicContact CB-CD1 4Å; V385-F481 HydrophobicContact CB-CD2 4.39Å; V385-F481 HydrophobicContact CB-CE1 4.21Å; V385-F481 HydrophobicContact CB-CG 4.07Å; V385-F481 HydrophobicContact CG1-CD1 4.14Å; V385-F481 HydrophobicContact CG1-CD2 3.88Å; V385-F481 HydrophobicContact CG1-CE1 4.02Å; V385-F481 HydrophobicContact CG1-CE2 3.76Å; V385-F481 HydrophobicContact CG1-CG 4.06Å; V385-F481 HydrophobicContact CG1-CZ 3.82Å; V385-F481 HydrophobicContact CG2-CD1 4.42Å; V385-F481 HydrophobicContact CG2-CE1 4.38Å; V385-Y483 PolarHBondContact O-OH 2.79Å; V385-R502 HydrophobicContact CG2-CB 4.49Å; V385-R502 WeakPolarHBondContact O-CD 3.44Å; V385-V506 HydrophobicContact CG2-CG1 4.08Å
386M92.4Very high95.6Very high94 Ų9416.4 Ų16.446%0.4639%0.087SC..SBendtrans-80.4-39.3177.5-62.5-58.6-68.300111.3N384 Y483 R502N384-M386 PolarHBondContact O-N 2.86Å; N384-M386 PolarHBondContact OD1-N 3.4Å; M386-Y483 PolarHBondContact O-OH 2.7Å; M386-R502 HydrophobicContact SD-CB 3.67Å; M386-R502 HydrophobicContact SD-CG 4.44Å
387N92.1Very high95.7Very high29 Ų2914.8 Ų14.816%0.1558%0.076CC..  trans-145.693173-170.9-12.6000111.1N384 A389 C390 Y483N384-N387 PolarHBondContact ND2-O 3.36Å; N384-N387 VanDerWaalsContact ND2-O 3.11Å; N384-N387 CarbonylContact O-C 3.28Å; N384-N387 VanDerWaalsContact O-C 3.28Å; N384-N387 PolarHBondContact O-N 2.81Å; N384-N387 PolarHBondContact OD1-N 3.35Å; N387-A389 PolarHBondContact O-N 3.06Å; N387-A389 VanDerWaalsContact O-N 3.12Å; N387-A389 WeakPolarHBondContact OD1-CB 3.39Å; N387-A389 PolarHBondContact OD1-N 3.48Å; N387-A389 VanDerWaalsContact OD1-N 3.15Å; N387-C390 HydrophobicContact CB-CB 4.14Å; N387-C390 PolarHBondContact ND2-SG 2.88Å; N387-C390 WeakPolarHBondContact O-CB 3.49Å; N387-C390 PolarHBondContact O-N 2.93Å; N387-Y483 VanDerWaalsContact CA-OH 3.26Å; N387-Y483 WeakPolarHBondContact CA-OH 3.39Å; N387-Y483 PolarHBondContact N-OH 3.42Å
388R92.7Very high95.6Very high12 Ų1215.7 Ų15.75%0.0458%0.083CC..THydrogen-bonded Turntrans-62.7-16.8-179.376.7178176.5-178.9-8.1114.8N384 G420 W478 Y483 S485 R487 W488N384-R388 WeakPolarHBondContact O-CA 3.47Å; N384-R388 PolarHBondContact O-N 3.19Å; R388-G420 VanDerWaalsContact O-CA 3.31Å; R388-G420 WeakPolarHBondContact O-CA 3.42Å; R388-W478 HydrophobicContact CB-CE3 3.99Å; R388-W478 HydrophobicContact CB-CH2 3.46Å; R388-W478 VanDerWaalsContact CB-CH2 3.46Å; R388-W478 HydrophobicContact CB-CZ2 4.09Å; R388-W478 HydrophobicContact CB-CZ3 3.41Å; R388-W478 VanDerWaalsContact CB-CZ3 3.41Å; R388-W478 HydrophobicContact CG-CZ3 4.46Å; R388-Y483 HydrophobicContact CB-CE1 4.14Å; R388-Y483 HydrophobicContact CB-CE2 4.19Å; R388-Y483 VanDerWaalsContact CD-CD1 3.47Å; R388-Y483 HydrophobicContact CG-CD1 3.92Å; R388-Y483 HydrophobicContact CG-CE1 3.51Å; R388-Y483 HydrophobicContact CG-CE2 4.33Å; R388-Y483 HydrophobicContact CG-CG 4.48Å; R388-Y483 PolarHBondContact N-OH 2.7Å; R388-S485 PolarHBondContact NH2-O 3.31Å; R388-R487 PolarHBondContact NH2-O 3.47Å; R388-W488 HydrophobicContact CB-CZ2 4Å; R388-W488 HydrophobicContact CG-CD2 4.25Å; R388-W488 HydrophobicContact CG-CZ2 3.94Å; R388-W488 PolarHBondContact NE-O 2.87Å; R388-W488 PolarHBondContact O-NE1 2.83Å
389A90.4Very high95.5Very high22 Ų2214.9 Ų14.918%0.1828%0.079CC..THydrogen-bonded Turntrans-81.3-22.117700000112.3N387 D391N387-A389 PolarHBondContact O-N 3.06Å; N387-A389 VanDerWaalsContact O-N 3.12Å; N387-A389 WeakPolarHBondContact OD1-CB 3.39Å; N387-A389 PolarHBondContact OD1-N 3.48Å; N387-A389 VanDerWaalsContact OD1-N 3.15Å; A389-D391 PolarHBondContact O-N 3.29Å
390C92.1Very high95.5Very high8 Ų815 Ų155%0.0548%0.079CC..SBendtrans-89.377.7176.2-74.90000109.8N384 N387 Y405 V422N384-C390 PolarHBondContact ND2-O 3.44Å; N387-C390 HydrophobicContact CB-CB 4.14Å; N387-C390 PolarHBondContact ND2-SG 2.88Å; N387-C390 WeakPolarHBondContact O-CB 3.49Å; N387-C390 PolarHBondContact O-N 2.93Å; C390-Y405 HydrophobicContact CB-CE1 3.66Å; C390-V422 WeakPolarHBondContact O-CG2 3.18Å
391D93.6Very high95.5Very high3 Ų312 Ų122%0.0167%0.067CC..  trans-121170.1-177.863.3-0.6000113.1A389 Y405 R407 R419 G420A389-D391 PolarHBondContact O-N 3.29Å; D391-Y405 WeakPolarHBondContact O-CD1 3.23Å; D391-R407 IonicContact OD1-CZ 3.65Å; D391-R407 IonicContact OD1-NE 2.81Å; D391-R407 PolarHBondContact OD1-NE 3.13Å; D391-R407 IonicContact OD1-NH2 3.4Å; D391-R407 PolarHBondContact OD1-NH2 3.36Å; D391-R419 WeakPolarHBondContact OD2-CA 3.33Å; D391-R419 IonicContact OD2-NE 3.09Å; D391-R419 PolarHBondContact OD2-NE 2.85Å; D391-G420 PolarHBondContact OD2-N 3.45Å
392G95.2Very high95.5Very high0 Ų012.3 Ų12.30%07%0.069CC..EExtended strand (participates in β ladder)trans109.3-177-178.500000113.6Q406 V421 V422 G423G392-Q406 CarbonylContact C-O 3.54Å; G392-Q406 WeakPolarHBondContact CA-O 3.43Å; G392-V421 PolarHBondContact N-O 2.81Å; G392-V422 VanDerWaalsContact O-CA 3.32Å; G392-V422 WeakPolarHBondContact O-CA 3.32Å; G392-G423 PolarHBondContact O-N 2.87Å; G392-G423 VanDerWaalsContact O-N 3.12Å
393M97.8Very high95.5Very high0 Ų014.4 Ų14.40%08%0.078CC..EExtended strand (participates in β ladder)trans-91.6141.4-171.5-51.5-59.610100111.7F381 V395 M404 Y405 Q406 I408 G423 M454 L458F381-M393 HydrophobicContact CE1-CE 4.27Å; F381-M393 HydrophobicContact CE1-SD 3.83Å; M393-V395 HydrophobicContact CB-CG2 4.48Å; M393-M404 CarbonylContact O-C 3.49Å; M393-Y405 PolarHBondContact O-N 3.24Å; M393-Y405 VanDerWaalsContact O-N 3.14Å; M393-Q406 HydrophobicContact CB-CB 4.3Å; M393-Q406 WeakPolarHBondContact CB-O 3.46Å; M393-Q406 WeakPolarHBondContact CG-O 3.35Å; M393-Q406 PolarHBondContact N-O 3.41Å; M393-Q406 PolarHBondContact O-N 3.08Å; M393-Q406 VanDerWaalsContact O-N 3.08Å; M393-I408 HydrophobicContact CE-CD1 4.42Å; M393-I408 HydrophobicContact CE-CG1 4.3Å; M393-I408 HydrophobicContact CG-CD1 3.52Å; M393-I408 HydrophobicContact CG-CG1 3.77Å; M393-I408 HydrophobicContact CG-CG2 4.16Å; M393-I408 HydrophobicContact SD-CD1 3.64Å; M393-I408 HydrophobicContact SD-CG1 4.1Å; M393-G423 CarbonylContact C-O 3.59Å; M393-G423 WeakPolarHBondContact CA-O 3.41Å; M393-G423 VanDerWaalsContact SD-CA 3.54Å; M393-M454 HydrophobicContact CB-CE 4.25Å; M393-M454 HydrophobicContact CG-CE 4.08Å; M393-M454 HydrophobicContact SD-CE 3.64Å; M393-L458 HydrophobicContact CE-CD2 4.26Å
394F98.3Very high95.4Very high2 Ų215.5 Ų15.51%0.0098%0.084CC..EExtended strand (participates in β ladder)trans-111.8112.8169.6-69.8-105.7000108I257 L278 Y396 L401 K403 M404 Y405 V422 G423 I424 V425I257-F394 HydrophobicContact CD1-CD1 4.09Å; I257-F394 HydrophobicContact CD1-CE1 3.48Å; I257-F394 VanDerWaalsContact CD1-CE1 3.48Å; I257-F394 HydrophobicContact CD1-CZ 4.49Å; L278-F394 HydrophobicContact CD2-CB 4.09Å; L278-F394 HydrophobicContact CD2-CD1 3.7Å; L278-F394 HydrophobicContact CD2-CD2 3.68Å; L278-F394 HydrophobicContact CD2-CE1 3.97Å; L278-F394 HydrophobicContact CD2-CE2 3.94Å; L278-F394 HydrophobicContact CD2-CG 3.53Å; L278-F394 HydrophobicContact CD2-CZ 4.06Å; F394-Y396 HydrophobicContact CB-CD2 4.43Å; F394-Y396 HydrophobicContact CB-CE2 3.82Å; F394-L401 HydrophobicContact CB-CD1 4.18Å; F394-L401 HydrophobicContact CD1-CD1 3.83Å; F394-L401 HydrophobicContact CG-CD1 4.49Å; F394-K403 WeakPolarHBondContact CA-O 3.36Å; F394-M404 HydrophobicContact CD1-CB 3.72Å; F394-M404 HydrophobicContact CE1-CB 3.56Å; F394-M404 HydrophobicContact CZ-CB 4.33Å; F394-Y405 HydrophobicContact CE1-CE2 4.23Å; F394-Y405 AromaticContact CE2-CD1 3.99Å; F394-Y405 HydrophobicContact CE2-CD1 3.99Å; F394-Y405 AromaticContact CE2-CE1 3.96Å; F394-Y405 HydrophobicContact CE2-CE1 3.96Å; F394-Y405 AromaticContact CZ-CD1 3.75Å; F394-Y405 HydrophobicContact CZ-CD1 3.75Å; F394-Y405 HydrophobicContact CZ-CD2 4.16Å; F394-Y405 AromaticContact CZ-CE1 3.44Å; F394-Y405 HydrophobicContact CZ-CE1 3.44Å; F394-Y405 VanDerWaalsContact CZ-CE1 3.44Å; F394-Y405 AromaticContact CZ-CE2 3.88Å; F394-Y405 HydrophobicContact CZ-CE2 3.88Å; F394-Y405 HydrophobicContact CZ-CG 4.11Å; F394-Y405 AromaticContact CZ-CZ 3.54Å; F394-V422 HydrophobicContact CD2-CG1 3.64Å; F394-V422 HydrophobicContact CE2-CG1 3.76Å; F394-V422 HydrophobicContact CE2-CG2 4.45Å; F394-G423 PolarHBondContact N-O 3.1Å; F394-I424 WeakPolarHBondContact O-CA 3.45Å; F394-V425 PolarHBondContact O-N 3.19Å; F394-V425 VanDerWaalsContact O-N 3.08Å
395V98.3Very high95.3Very high0 Ų016.1 Ų16.10%09%0.085CC..EExtended strand (participates in β ladder)trans-107.4110.7-177.1-167.70000107.4M393 I402 K403 V425 V427 F441 Y447 L450 M451M393-V395 HydrophobicContact CB-CG2 4.48Å; V395-I402 PolarHBondContact O-N 3.17Å; V395-K403 HydrophobicContact CB-CB 4.23Å; V395-K403 HydrophobicContact CG2-CB 4.3Å; V395-K403 PolarHBondContact N-O 3.07Å; V395-K403 PolarHBondContact O-N 2.6Å; V395-V425 HydrophobicContact CB-CG1 4.28Å; V395-V425 HydrophobicContact CG1-CG1 3.83Å; V395-V425 HydrophobicContact CG2-CG1 4.24Å; V395-V427 HydrophobicContact CG1-CG2 4.02Å; V395-F441 HydrophobicContact CB-CE2 4.11Å; V395-F441 HydrophobicContact CB-CZ 4.39Å; V395-F441 HydrophobicContact CG1-CE2 3.52Å; V395-F441 HydrophobicContact CG1-CZ 3.56Å; V395-Y447 HydrophobicContact CG2-CE2 4.36Å; V395-L450 HydrophobicContact CG1-CD2 4.33Å; V395-M451 HydrophobicContact CG2-CE 3.75Å; V395-M451 HydrophobicContact CG2-SD 4.41Å
396Y98.1Very high95.3Very high3 Ų319 Ų191%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-94.6152.7173.9-65.5-100000109.9I257 Y259 F394 S399 R400 L401 I424 V425 V427I257-Y396 WeakPolarHBondContact O-CE1 3.39Å; I257-Y396 PolarHBondContact O-OH 3.4Å; Y259-Y396 VanDerWaalsContact C-CE1 3.48Å; F394-Y396 HydrophobicContact CB-CD2 4.43Å; F394-Y396 HydrophobicContact CB-CE2 3.82Å; Y396-S399 WeakPolarHBondContact CD1-O 3.44Å; Y396-R400 CarbonylContact C-O 3.55Å; Y396-R400 WeakPolarHBondContact CA-O 3.49Å; Y396-L401 VanDerWaalsContact CD1-CA 3.45Å; Y396-L401 HydrophobicContact CD1-CB 3.91Å; Y396-L401 HydrophobicContact CD1-CD1 4.45Å; Y396-L401 HydrophobicContact CD2-CD1 4.41Å; Y396-L401 HydrophobicContact CE1-CB 3.61Å; Y396-L401 HydrophobicContact CE1-CD1 4.08Å; Y396-L401 HydrophobicContact CE1-CG 4.4Å; Y396-L401 HydrophobicContact CE2-CD1 4.05Å; Y396-I424 HydrophobicContact CD2-CG2 4.01Å; Y396-I424 HydrophobicContact CE2-CG2 3.88Å; Y396-V425 PolarHBondContact N-O 3.34Å; Y396-V427 PolarHBondContact O-N 3.48Å
397N96Very high95.4Very high9 Ų917.8 Ų17.85%0.0489%0.088CC..EExtended strand (participates in β ladder)trans-128.5120.3169.1-177.7-113.1000109.4S399 R400 I402 V427 L432 P434 F441N397-S399 PolarHBondContact O-N 3.21Å; N397-S399 VanDerWaalsContact O-N 3.16Å; N397-R400 PolarHBondContact N-O 2.91Å; N397-R400 WeakPolarHBondContact O-CB 3.45Å; N397-R400 PolarHBondContact O-N 3.36Å; N397-I402 HydrophobicContact CB-CD1 4.12Å; N397-I402 HydrophobicContact CB-CG1 3.61Å; N397-V427 VanDerWaalsContact CA-O 3.28Å; N397-V427 WeakPolarHBondContact CA-O 3.38Å; N397-V427 PolarHBondContact ND2-O 3.11Å; N397-L432 PolarHBondContact ND2-O 3.42Å; N397-P434 WeakPolarHBondContact OD1-CD 3.43Å; N397-F441 HydrophobicContact CB-CE1 3.97Å; N397-F441 HydrophobicContact CB-CZ 4.38Å
398C93.5Very high95.5Very high25 Ų2516.7 Ų16.717%0.1698%0.082CC..THydrogen-bonded Turntrans47.145.3-173.4-64.10000111.4R400 D426 V427C398-R400 PolarHBondContact O-N 3.03Å; C398-D426 PolarHBondContact N-OD1 3.28Å; C398-D426 VanDerWaalsContact N-OD1 3.15Å; C398-V427 PolarHBondContact N-O 3.09Å
399S95Very high95.5Very high18 Ų1817.3 Ų17.313%0.1269%0.093CC..THydrogen-bonded Turntrans68.12.5-178.7-46.50000117.1Y259 S260 D261 Y396 N397 D426Y259-S399 CarbonylContact C-O 3.42Å; Y259-S399 WeakPolarHBondContact CA-O 3.44Å; S260-S399 PolarHBondContact N-O 3.48Å; S260-S399 VanDerWaalsContact OG-CA 3.3Å; S260-S399 WeakPolarHBondContact OG-CA 3.37Å; S260-S399 WeakPolarHBondContact OG-CB 3.41Å; S260-S399 PolarHBondContact OG-OG 3.25Å; D261-S399 WeakPolarHBondContact OD1-CB 3.33Å; Y396-S399 WeakPolarHBondContact CD1-O 3.44Å; N397-S399 PolarHBondContact O-N 3.21Å; N397-S399 VanDerWaalsContact O-N 3.16Å; S399-D426 VanDerWaalsContact CA-OD2 3.25Å; S399-D426 WeakPolarHBondContact CA-OD2 3.44Å; S399-D426 PolarHBondContact N-OD1 3.3Å; S399-D426 PolarHBondContact N-OD2 2.88Å; S399-D426 VanDerWaalsContact N-OD2 3.09Å; S399-D426 PolarHBondContact OG-OD2 2.99Å
400R97.1Very high95.5Very high1 Ų117.2 Ų17.20%0.0049%0.09CC..EExtended strand (participates in β ladder)trans-92.9127.7171171.158.9164.194.34.8110.8D36 I95 Y254 L258 Y396 N397 C398 I402D36-R400 VanDerWaalsContact OD1-CD 3.29Å; D36-R400 WeakPolarHBondContact OD1-CD 3.49Å; D36-R400 IonicContact OD1-NE 2.98Å; D36-R400 PolarHBondContact OD1-NE 3.08Å; D36-R400 VanDerWaalsContact OD1-NE 3.13Å; D36-R400 IonicContact OD2-NE 3.1Å; D36-R400 PolarHBondContact OD2-NE 2.89Å; I95-R400 HydrophobicContact CD1-CB 3.93Å; I95-R400 HydrophobicContact CG1-CB 4.08Å; I95-R400 HydrophobicContact CG2-CB 3.97Å; I95-R400 HydrophobicContact CG2-CG 4.01Å; Y254-R400 PolarHBondContact OH-NH1 3.42Å; Y254-R400 VanDerWaalsContact OH-NH1 3.09Å; L258-R400 VanDerWaalsContact CD1-CZ 3.44Å; Y396-R400 CarbonylContact C-O 3.55Å; Y396-R400 WeakPolarHBondContact CA-O 3.49Å; N397-R400 PolarHBondContact N-O 2.91Å; N397-R400 WeakPolarHBondContact O-CB 3.45Å; N397-R400 PolarHBondContact O-N 3.36Å; C398-R400 PolarHBondContact O-N 3.03Å; R400-I402 HydrophobicContact CG-CD1 4.17Å; R400-I402 PolarHBondContact O-N 2.84Å
401L98.1Very high95.5Very high2 Ų216.9 Ų16.91%0.019%0.088CC..EExtended strand (participates in β ladder)trans-61129.5177.2-179.961000110.3Y254 I257 L258 F394 Y396 K403 M404Y254-L401 HydrophobicContact CE2-CD2 4.21Å; I257-L401 HydrophobicContact CD1-CD2 3.73Å; I257-L401 HydrophobicContact CG1-CD2 4.1Å; L258-L401 WeakPolarHBondContact O-CB 3.35Å; L258-L401 PolarHBondContact O-N 2.97Å; F394-L401 HydrophobicContact CB-CD1 4.18Å; F394-L401 HydrophobicContact CD1-CD1 3.83Å; F394-L401 HydrophobicContact CG-CD1 4.49Å; Y396-L401 VanDerWaalsContact CD1-CA 3.45Å; Y396-L401 HydrophobicContact CD1-CB 3.91Å; Y396-L401 HydrophobicContact CD1-CD1 4.45Å; Y396-L401 HydrophobicContact CD2-CD1 4.41Å; Y396-L401 HydrophobicContact CE1-CB 3.61Å; Y396-L401 HydrophobicContact CE1-CD1 4.08Å; Y396-L401 HydrophobicContact CE1-CG 4.4Å; Y396-L401 HydrophobicContact CE2-CD1 4.05Å; L401-K403 VanDerWaalsContact CD1-O 3.28Å; L401-K403 WeakPolarHBondContact CD1-O 3.49Å; L401-M404 HydrophobicContact CD1-CB 4.28Å; L401-M404 HydrophobicContact CD2-CB 4.19Å; L401-M404 HydrophobicContact CD2-SD 4.37Å
402I98Very high95.3Very high7 Ų722.9 Ų22.94%0.03612%0.116CC..EExtended strand (participates in β ladder)trans-112.1-49.8176.1-55.3-58.7000110.3V395 N397 R400 P434 K438 D440 F441V395-I402 PolarHBondContact O-N 3.17Å; N397-I402 HydrophobicContact CB-CD1 4.12Å; N397-I402 HydrophobicContact CB-CG1 3.61Å; R400-I402 HydrophobicContact CG-CD1 4.17Å; R400-I402 PolarHBondContact O-N 2.84Å; I402-P434 HydrophobicContact CD1-CB 4Å; I402-K438 HydrophobicContact CD1-CB 4.04Å; I402-K438 WeakPolarHBondContact CD1-O 3.26Å; I402-D440 WeakPolarHBondContact CG2-O 3.37Å; I402-F441 HydrophobicContact CB-CE1 4.4Å; I402-F441 HydrophobicContact CB-CE2 3.95Å; I402-F441 HydrophobicContact CB-CZ 3.74Å; I402-F441 HydrophobicContact CG1-CE1 4.12Å; I402-F441 HydrophobicContact CG1-CZ 3.83Å; I402-F441 HydrophobicContact CG2-CD2 4.15Å; I402-F441 HydrophobicContact CG2-CE1 4.31Å; I402-F441 HydrophobicContact CG2-CE2 3.78Å; I402-F441 HydrophobicContact CG2-CZ 3.89Å
403K97.3Very high94.7Very high45 Ų4527.4 Ų27.420%0.19614%0.14CC..EExtended strand (participates in β ladder)trans-121.7137.3177.5-58.5-74.4-78-162.30109.8F394 V395 L401 Q439 D440 F441 Y447F394-K403 WeakPolarHBondContact CA-O 3.36Å; V395-K403 HydrophobicContact CB-CB 4.23Å; V395-K403 HydrophobicContact CG2-CB 4.3Å; V395-K403 PolarHBondContact N-O 3.07Å; V395-K403 PolarHBondContact O-N 2.6Å; L401-K403 VanDerWaalsContact CD1-O 3.28Å; L401-K403 WeakPolarHBondContact CD1-O 3.49Å; K403-Q439 WeakPolarHBondContact CD-O 3.26Å; K403-D440 IonicContact NZ-OD1 3.56Å; K403-D440 IonicContact NZ-OD2 3.91Å; K403-D440 PolarHBondContact NZ-OD2 3.2Å; K403-F441 HydrophobicContact CG-CE2 4.25Å; K403-Y447 HydrophobicContact CG-CE2 4.43Å
404M95.6Very high93.6Very high23 Ų2333.5 Ų33.511%0.11318%0.183CC..EExtended strand (participates in β ladder)trans-128.2147.8176.157.3178138.100111.2F26 E247 Y254 M393 F394 L401 Q406F26-M404 HydrophobicContact CE1-CE 3.95Å; F26-M404 HydrophobicContact CZ-CE 4.12Å; E247-M404 HydrophobicContact CB-SD 3.95Å; Y254-M404 HydrophobicContact CD2-CE 3.74Å; Y254-M404 HydrophobicContact CD2-SD 4.46Å; Y254-M404 HydrophobicContact CE2-CE 3.54Å; M393-M404 CarbonylContact O-C 3.49Å; F394-M404 HydrophobicContact CD1-CB 3.72Å; F394-M404 HydrophobicContact CE1-CB 3.56Å; F394-M404 HydrophobicContact CZ-CB 4.33Å; L401-M404 HydrophobicContact CD1-CB 4.28Å; L401-M404 HydrophobicContact CD2-CB 4.19Å; L401-M404 HydrophobicContact CD2-SD 4.37Å; M404-Q406 PolarHBondContact O-N 2.82Å
405Y94.9Very high92.7Very high36 Ų3635.4 Ų35.414%0.14120%0.196CC..EExtended strand (participates in β ladder)trans57.128.5179.2-55.9-71.2000114.1P245 E247 C390 D391 M393 F394 R407P245-Y405 HydrophobicContact CB-CD2 3.66Å; P245-Y405 HydrophobicContact CB-CE1 4.3Å; P245-Y405 HydrophobicContact CB-CE2 3.2Å; P245-Y405 HydrophobicContact CB-CG 4.36Å; P245-Y405 HydrophobicContact CG-CD2 3.83Å; P245-Y405 HydrophobicContact CG-CE2 3.91Å; P245-Y405 HydrophobicContact CG-CG 4.18Å; E247-Y405 VanDerWaalsContact CD-OH 3.28Å; E247-Y405 WeakPolarHBondContact OE2-CE2 3.34Å; E247-Y405 PolarHBondContact OE2-OH 2.82Å; C390-Y405 HydrophobicContact CB-CE1 3.66Å; D391-Y405 WeakPolarHBondContact O-CD1 3.23Å; M393-Y405 PolarHBondContact O-N 3.24Å; M393-Y405 VanDerWaalsContact O-N 3.14Å; F394-Y405 HydrophobicContact CE1-CE2 4.23Å; F394-Y405 AromaticContact CE2-CD1 3.99Å; F394-Y405 HydrophobicContact CE2-CD1 3.99Å; F394-Y405 AromaticContact CE2-CE1 3.96Å; F394-Y405 HydrophobicContact CE2-CE1 3.96Å; F394-Y405 AromaticContact CZ-CD1 3.75Å; F394-Y405 HydrophobicContact CZ-CD1 3.75Å; F394-Y405 HydrophobicContact CZ-CD2 4.16Å; F394-Y405 AromaticContact CZ-CE1 3.44Å; F394-Y405 HydrophobicContact CZ-CE1 3.44Å; F394-Y405 VanDerWaalsContact CZ-CE1 3.44Å; F394-Y405 AromaticContact CZ-CE2 3.88Å; F394-Y405 HydrophobicContact CZ-CE2 3.88Å; F394-Y405 HydrophobicContact CZ-CG 4.11Å; F394-Y405 AromaticContact CZ-CZ 3.54Å; Y405-R407 PolarHBondContact O-N 3.09Å
406Q95Very high91.9Very high59 Ų5939.8 Ų39.828%0.27622%0.218SC..EExtended strand (participates in β ladder)trans-73.8109.2178.8-179.361.653.600109.8G392 M393 M404 I408 M451G392-Q406 CarbonylContact C-O 3.54Å; G392-Q406 WeakPolarHBondContact CA-O 3.43Å; M393-Q406 HydrophobicContact CB-CB 4.3Å; M393-Q406 WeakPolarHBondContact CB-O 3.46Å; M393-Q406 WeakPolarHBondContact CG-O 3.35Å; M393-Q406 PolarHBondContact N-O 3.41Å; M393-Q406 PolarHBondContact O-N 3.08Å; M393-Q406 VanDerWaalsContact O-N 3.08Å; M404-Q406 PolarHBondContact O-N 2.82Å; Q406-I408 HydrophobicContact CG-CG2 4.16Å; Q406-M451 HydrophobicContact CG-SD 4.11Å
407R94.7Very high91.5Very high69 Ų6942.6 Ų42.626%0.2623%0.232SC..  trans-75.3139.3174.4-68.9-178175.8159.37.8110.2D391 Y405 Q411 Q412 R419D391-R407 IonicContact OD1-CZ 3.65Å; D391-R407 IonicContact OD1-NE 2.81Å; D391-R407 PolarHBondContact OD1-NE 3.13Å; D391-R407 IonicContact OD1-NH2 3.4Å; D391-R407 PolarHBondContact OD1-NH2 3.36Å; Y405-R407 PolarHBondContact O-N 3.09Å; R407-Q411 HydrophobicContact CB-CB 3.93Å; R407-Q411 WeakPolarHBondContact CD-O 2.97Å; R407-Q411 HydrophobicContact CG-CB 4.13Å; R407-Q412 HydrophobicContact CB-CG 3.99Å; R407-Q412 WeakPolarHBondContact O-CG 3.38Å; R407-R419 VanDerWaalsContact NH2-NH2 3.16Å
408I94.9Very high91.3Very high6 Ų642.2 Ų42.23%0.03123%0.23CC..  trans-138.9152.6-179.362.4170.9000110.7M393 Q406 Q411 M451 M454 A455 L458M393-I408 HydrophobicContact CE-CD1 4.42Å; M393-I408 HydrophobicContact CE-CG1 4.3Å; M393-I408 HydrophobicContact CG-CD1 3.52Å; M393-I408 HydrophobicContact CG-CG1 3.77Å; M393-I408 HydrophobicContact CG-CG2 4.16Å; M393-I408 HydrophobicContact SD-CD1 3.64Å; M393-I408 HydrophobicContact SD-CG1 4.1Å; Q406-I408 HydrophobicContact CG-CG2 4.16Å; I408-Q411 WeakPolarHBondContact O-CB 3.12Å; I408-Q411 PolarHBondContact O-N 3.25Å; I408-M451 HydrophobicContact CG2-CB 4.1Å; I408-M451 HydrophobicContact CG2-CG 4.34Å; I408-M451 HydrophobicContact CG2-SD 3.89Å; I408-M454 HydrophobicContact CD1-CB 3.47Å; I408-M454 VanDerWaalsContact CD1-CB 3.47Å; I408-A455 HydrophobicContact CB-CB 4.37Å; I408-A455 HydrophobicContact CD1-CB 4.05Å; I408-A455 HydrophobicContact CG1-CB 4.28Å; I408-L458 HydrophobicContact CG1-CD2 4.07Å
409G92.2Very high91.3Very high26 Ų2642.5 Ų42.527%0.26823%0.227SC..G310 helixtrans54.5-133175.900000111.9Q411 Q412G409-Q411 PolarHBondContact O-N 3.31Å; G409-Q412 PolarHBondContact O-N 3.48Å
410P90.6Very high91.2Very high19 Ų1941.7 Ų41.712%0.12322%0.221CC..G310 helixtrans-61-12.9-175.9-8.512.9000115.5Q412 M417 M459P410-Q412 VanDerWaalsContact C-N 3.29Å; P410-M417 HydrophobicContact CB-CB 3.97Å; P410-M459 HydrophobicContact CB-SD 4.39Å; P410-M459 HydrophobicContact CG-CG 3.88Å; P410-M459 HydrophobicContact CG-SD 3.23Å; P410-M459 WeakPolarHBondContact CG-SD 3.16Å
411Q92.2Very high91.2Very high1 Ų141.6 Ų41.61%0.00522%0.221CC..G310 helixtrans-73.9-22.2175.4-63.4-177.7-39.200113R407 I408 G409 C418 V421 L458R407-Q411 HydrophobicContact CB-CB 3.93Å; R407-Q411 WeakPolarHBondContact CD-O 2.97Å; R407-Q411 HydrophobicContact CG-CB 4.13Å; I408-Q411 WeakPolarHBondContact O-CB 3.12Å; I408-Q411 PolarHBondContact O-N 3.25Å; G409-Q411 PolarHBondContact O-N 3.31Å; Q411-C418 HydrophobicContact CG-CB 3.65Å; Q411-C418 PolarHBondContact NE2-O 3.31Å; Q411-V421 PolarHBondContact NE2-O 2.86Å; Q411-L458 HydrophobicContact CG-CD2 3.95Å
412Q88.8Confident91.2Very high129 Ų12941.6 Ų41.660%0.60322%0.221SC*.THydrogen-bonded Turntrans-80.7-25.2177.7-64.3177.5-81.300111.5R407 G409 P410R407-Q412 HydrophobicContact CB-CG 3.99Å; R407-Q412 WeakPolarHBondContact O-CG 3.38Å; G409-Q412 PolarHBondContact O-N 3.48Å; P410-Q412 VanDerWaalsContact C-N 3.29Å
413D83.2Confident91.2Very high96 Ų9641.3 Ų41.351%0.51322%0.219SC..SBendtrans-68.4161.9175.9-56.7-24.9000111.2S415D413-S415 PolarHBondContact O-N 3.03Å; D413-S415 VanDerWaalsContact O-N 3.08Å
414S74.4Confident91.3Very high128 Ų12839.8 Ų39.890%0.89521%0.213SC*.SBendtrans-66.4-4.5169.357.50000113.4
415S78.5Confident91.4Very high41 Ų4138.7 Ų38.729%0.28721%0.208SC..SBendtrans-66.1147.9176.3-174.90000112.5D413 M417D413-S415 PolarHBondContact O-N 3.03Å; D413-S415 VanDerWaalsContact O-N 3.08Å; S415-M417 PolarHBondContact O-N 2.98Å; S415-M417 WeakPolarHBondContact OG-CB 3.46Å; S415-M417 WeakPolarHBondContact OG-CG 3.25Å; S415-M417 PolarHBondContact OG-N 3.29Å; S415-M417 VanDerWaalsContact OG-N 3.15Å
416M82.1Confident91.5Very high92 Ų9239.7 Ų39.745%0.45322%0.216SC..  trans-80.1-0.2170.5-67.5-69.516900112.6R419 L474 W488M416-R419 WeakPolarHBondContact O-CB 3.42Å; M416-R419 PolarHBondContact O-N 2.68Å; M416-L474 HydrophobicContact CB-CD2 4.23Å; M416-W488 HydrophobicContact SD-CD2 4.1Å; M416-W488 HydrophobicContact SD-CE3 3.64Å; M416-W488 HydrophobicContact SD-CZ3 3.95Å
417M88.7Confident91.5Very high63 Ų6336.9 Ų36.931%0.3120%0.203SC..THydrogen-bonded Turntrans-61.7136.6178.3-72.5177.576.200111.2P410 S415 R419 M459P410-M417 HydrophobicContact CB-CB 3.97Å; S415-M417 PolarHBondContact O-N 2.98Å; S415-M417 WeakPolarHBondContact OG-CB 3.46Å; S415-M417 WeakPolarHBondContact OG-CG 3.25Å; S415-M417 PolarHBondContact OG-N 3.29Å; S415-M417 VanDerWaalsContact OG-N 3.15Å; M417-R419 PolarHBondContact O-N 3.07Å; M417-M459 HydrophobicContact CE-CE 3.91Å; M417-M459 HydrophobicContact CE-SD 4.31Å
418C93Very high91.4Very high0 Ų035.4 Ų35.40%020%0.202CC..THydrogen-bonded Turntrans59.22-179.7-58.50000115.7Q411 V421 L458 W462Q411-C418 HydrophobicContact CG-CB 3.65Å; Q411-C418 PolarHBondContact NE2-O 3.31Å; C418-V421 VanDerWaalsContact O-CB 3.29Å; C418-V421 WeakPolarHBondContact O-CB 3.5Å; C418-V421 WeakPolarHBondContact O-CG2 3.16Å; C418-V421 PolarHBondContact O-N 2.78Å; C418-V421 VanDerWaalsContact O-N 3.13Å; C418-L458 HydrophobicContact CB-CD1 4.18Å; C418-L458 HydrophobicContact CB-CD2 4Å; C418-L458 HydrophobicContact CB-CG 4.11Å; C418-W462 VanDerWaalsContact CA-CZ3 3.44Å; C418-W462 HydrophobicContact CB-CE3 4.32Å
419R92.6Very high91.2Very high32 Ų3237.5 Ų37.512%0.12121%0.21CC..THydrogen-bonded Turntrans-66138.2175.9-60.9-61-63.6-97-15.2109.9D391 R407 M416 M417 V421 W488D391-R419 WeakPolarHBondContact OD2-CA 3.33Å; D391-R419 IonicContact OD2-NE 3.09Å; D391-R419 PolarHBondContact OD2-NE 2.85Å; R407-R419 VanDerWaalsContact NH2-NH2 3.16Å; M416-R419 WeakPolarHBondContact O-CB 3.42Å; M416-R419 PolarHBondContact O-N 2.68Å; M417-R419 PolarHBondContact O-N 3.07Å; R419-V421 VanDerWaalsContact C-N 3.3Å; R419-W488 HydrophobicContact CB-CH2 3.83Å; R419-W488 HydrophobicContact CB-CZ2 3.38Å
420G93.4Very high91.1Very high0 Ų039.5 Ų39.50%021%0.213CC..THydrogen-bonded Turntrans82.8-3.4-171.600000115N384 R388 D391N384-G420 PolarHBondContact N-O 2.61Å; R388-G420 VanDerWaalsContact O-CA 3.31Å; R388-G420 WeakPolarHBondContact O-CA 3.42Å; D391-G420 PolarHBondContact OD2-N 3.45Å
421V97.2Very high91.2Very high0 Ų038.9 Ų38.90%021%0.209CC..EExtended strand (participates in β ladder)trans-86.5132.2174.2-177.30000110.5F381 V383 G392 Q411 C418 R419 L458 Y461 W462F381-V421 HydrophobicContact CB-CG1 4.46Å; F381-V421 HydrophobicContact CD1-CG1 4.26Å; V383-V421 HydrophobicContact CG2-CG2 4.48Å; G392-V421 PolarHBondContact N-O 2.81Å; Q411-V421 PolarHBondContact NE2-O 2.86Å; C418-V421 VanDerWaalsContact O-CB 3.29Å; C418-V421 WeakPolarHBondContact O-CB 3.5Å; C418-V421 WeakPolarHBondContact O-CG2 3.16Å; C418-V421 PolarHBondContact O-N 2.78Å; C418-V421 VanDerWaalsContact O-N 3.13Å; R419-V421 VanDerWaalsContact C-N 3.3Å; V421-L458 HydrophobicContact CB-CD1 3.95Å; V421-L458 HydrophobicContact CG1-CD1 3.46Å; V421-L458 VanDerWaalsContact CG1-CD1 3.46Å; V421-L458 HydrophobicContact CG2-CD1 4.5Å; V421-Y461 HydrophobicContact CB-CE1 4.5Å; V421-Y461 HydrophobicContact CG1-CD1 3.76Å; V421-Y461 HydrophobicContact CG1-CE1 3.56Å; V421-Y461 HydrophobicContact CG2-CD1 4.46Å; V421-Y461 HydrophobicContact CG2-CE1 4.08Å; V421-W462 HydrophobicContact CG2-CE3 3.83Å; V421-W462 HydrophobicContact CG2-CZ3 3.73Å
422V98Very high91.3Very high2 Ų239 Ų391%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-106.9132.1172.3172.30000109L278 L282 F381 G382 N384 C390 G392 F394 I424L278-V422 HydrophobicContact CD2-CG1 4.23Å; L282-V422 HydrophobicContact CD1-CB 3.79Å; L282-V422 HydrophobicContact CD1-CG1 3.84Å; L282-V422 HydrophobicContact CD2-CB 3.85Å; L282-V422 HydrophobicContact CD2-CG1 4.36Å; L282-V422 HydrophobicContact CD2-CG2 4.01Å; L282-V422 HydrophobicContact CG-CB 4.49Å; F381-V422 WeakPolarHBondContact CA-O 3.44Å; G382-V422 PolarHBondContact N-O 2.86Å; G382-V422 PolarHBondContact O-N 2.78Å; N384-V422 HydrophobicContact CB-CG2 3.97Å; C390-V422 WeakPolarHBondContact O-CG2 3.18Å; G392-V422 VanDerWaalsContact O-CA 3.32Å; G392-V422 WeakPolarHBondContact O-CA 3.32Å; F394-V422 HydrophobicContact CD2-CG1 3.64Å; F394-V422 HydrophobicContact CE2-CG1 3.76Å; F394-V422 HydrophobicContact CE2-CG2 4.45Å; V422-I424 HydrophobicContact CG1-CG1 4.17Å
423G98.3Very high91.5Very high0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-111146.917100000111.2Y380 G392 M393 F394Y380-G423 CarbonylContact O-C 3.51Å; Y380-G423 VanDerWaalsContact O-CA 3.22Å; Y380-G423 WeakPolarHBondContact O-CA 3.42Å; G392-G423 PolarHBondContact O-N 2.87Å; G392-G423 VanDerWaalsContact O-N 3.12Å; M393-G423 CarbonylContact C-O 3.59Å; M393-G423 WeakPolarHBondContact CA-O 3.41Å; M393-G423 VanDerWaalsContact SD-CA 3.54Å; F394-G423 PolarHBondContact N-O 3.1Å
424I98.4Very high92Very high13 Ų1332.7 Ų32.77%0.06718%0.178CC..EExtended strand (participates in β ladder)trans-135.6132.8-177.8-51.1169000108.6L278 L279 L282 Y380 F394 Y396 V422L278-I424 HydrophobicContact CB-CD1 3.89Å; L278-I424 HydrophobicContact CD2-CD1 3.93Å; L278-I424 HydrophobicContact CD2-CG1 4.09Å; L278-I424 HydrophobicContact CG-CD1 3.81Å; L278-I424 HydrophobicContact CG-CG1 4.49Å; L279-I424 HydrophobicContact CB-CD1 3.99Å; L279-I424 HydrophobicContact CD1-CD1 4.42Å; L282-I424 HydrophobicContact CD1-CD1 4.13Å; Y380-I424 PolarHBondContact N-O 3.31Å; Y380-I424 PolarHBondContact O-N 2.88Å; F394-I424 WeakPolarHBondContact O-CA 3.45Å; Y396-I424 HydrophobicContact CD2-CG2 4.01Å; Y396-I424 HydrophobicContact CE2-CG2 3.88Å; V422-I424 HydrophobicContact CG1-CG1 4.17Å
425V98Very high93Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-140.9142.4171.362.60000109.7L377 F379 F394 V395 Y396 V427 M454L377-V425 HydrophobicContact CB-CG2 4.44Å; F379-V425 HydrophobicContact CD1-CB 3.97Å; F379-V425 HydrophobicContact CD1-CG2 3.69Å; F379-V425 HydrophobicContact CE1-CB 4.42Å; F379-V425 HydrophobicContact CE1-CG2 3.84Å; F394-V425 PolarHBondContact O-N 3.19Å; F394-V425 VanDerWaalsContact O-N 3.08Å; V395-V425 HydrophobicContact CB-CG1 4.28Å; V395-V425 HydrophobicContact CG1-CG1 3.83Å; V395-V425 HydrophobicContact CG2-CG1 4.24Å; Y396-V425 PolarHBondContact N-O 3.34Å; V425-V427 HydrophobicContact CG1-CG2 4.14Å; V425-V427 HydrophobicContact CG2-CG2 3.99Å; V425-M454 HydrophobicContact CB-CE 4.15Å; V425-M454 HydrophobicContact CB-SD 4.25Å; V425-M454 HydrophobicContact CG1-CE 3.92Å; V425-M454 HydrophobicContact CG1-SD 3.63Å
426D96.7Very high93.6Very high57 Ų5730.2 Ų30.231%0.30515%0.15SC..EExtended strand (participates in β ladder)trans-112111.8168.8-165.8-4.2000108.7S260 C398 S399S260-D426 PolarHBondContact OG-OD2 3.04Å; C398-D426 PolarHBondContact N-OD1 3.28Å; C398-D426 VanDerWaalsContact N-OD1 3.15Å; S399-D426 VanDerWaalsContact CA-OD2 3.25Å; S399-D426 WeakPolarHBondContact CA-OD2 3.44Å; S399-D426 PolarHBondContact N-OD1 3.3Å; S399-D426 PolarHBondContact N-OD2 2.88Å; S399-D426 VanDerWaalsContact N-OD2 3.09Å; S399-D426 PolarHBondContact OG-OD2 2.99Å
427V95.7Very high94.1Very high0 Ų027.2 Ų27.20%014%0.136CC..EExtended strand (participates in β ladder)trans-96.8123.9-173.8-173.20000108.5V395 Y396 N397 C398 V425 V431 L432 L450V395-V427 HydrophobicContact CG1-CG2 4.02Å; Y396-V427 PolarHBondContact O-N 3.48Å; N397-V427 VanDerWaalsContact CA-O 3.28Å; N397-V427 WeakPolarHBondContact CA-O 3.38Å; N397-V427 PolarHBondContact ND2-O 3.11Å; C398-V427 PolarHBondContact N-O 3.09Å; V425-V427 HydrophobicContact CG1-CG2 4.14Å; V425-V427 HydrophobicContact CG2-CG2 3.99Å; V427-V431 HydrophobicContact CG1-CB 3.72Å; V427-V431 HydrophobicContact CG1-CG1 3.79Å; V427-L432 HydrophobicContact CG1-CB 3.9Å; V427-L432 HydrophobicContact CG1-CD1 4.17Å; V427-L432 HydrophobicContact CG1-CG 4.14Å; V427-L450 HydrophobicContact CG2-CD2 3.69Å
428P92.8Very high94.5Very high39 Ų3924.4 Ų24.425%0.25312%0.122SC..  trans-68.6150.2176.229.4-33.5000110.7F295 L377 M430 V431 L432F295-P428 HydrophobicContact CE1-CG 4.04Å; F295-P428 HydrophobicContact CE2-CG 4.17Å; F295-P428 HydrophobicContact CZ-CG 3.87Å; L377-P428 HydrophobicContact CD2-CG 4.29Å; P428-M430 PolarHBondContact O-N 2.95Å; P428-V431 HydrophobicContact CG-CB 4.27Å; P428-V431 HydrophobicContact CG-CG2 3.8Å; P428-V431 PolarHBondContact O-N 2.84Å; P428-L432 PolarHBondContact O-N 3.37Å
429Y90.3Very high94.6Very high50 Ų5025.9 Ų25.920%0.19613%0.129CC..THydrogen-bonded Turntrans-50.7-36178.5-166.1-96.1000113.4M97 V431 L432 E433M97-Y429 HydrophobicContact CE-CD1 3.88Å; M97-Y429 HydrophobicContact CE-CD2 4.39Å; M97-Y429 HydrophobicContact CE-CE1 3.57Å; M97-Y429 HydrophobicContact CE-CE2 4.14Å; M97-Y429 HydrophobicContact CE-CG 4.27Å; M97-Y429 HydrophobicContact SD-CD1 4.1Å; M97-Y429 HydrophobicContact SD-CD2 3.59Å; M97-Y429 VanDerWaalsContact SD-CD2 3.59Å; M97-Y429 HydrophobicContact SD-CE1 4.06Å; M97-Y429 HydrophobicContact SD-CE2 3.57Å; M97-Y429 VanDerWaalsContact SD-CE2 3.57Å; M97-Y429 HydrophobicContact SD-CG 3.86Å; Y429-V431 PolarHBondContact O-N 2.83Å; Y429-V431 VanDerWaalsContact O-N 3.15Å; Y429-L432 WeakPolarHBondContact CA-O 3.18Å; Y429-L432 CarbonylContact O-C 3.51Å; Y429-E433 HydrophobicContact CD1-CG 4Å; Y429-E433 HydrophobicContact CD2-CG 4.21Å; Y429-E433 HydrophobicContact CE1-CG 3.6Å; Y429-E433 WeakPolarHBondContact CE1-OE1 3.21Å; Y429-E433 HydrophobicContact CE2-CB 4.01Å; Y429-E433 HydrophobicContact CE2-CG 3.82Å; Y429-E433 HydrophobicContact CG-CG 4.3Å; Y429-E433 VanDerWaalsContact CZ-CG 3.49Å; Y429-E433 VanDerWaalsContact OH-CD 3.31Å; Y429-E433 PolarHBondContact OH-OE2 2.99Å
430M89.1Confident94.8Very high68 Ų6826.9 Ų26.934%0.33514%0.137SC..THydrogen-bonded Turntrans-59.5-26.1177.7-171171.5-66.100113.5F295 R298 A299 P428F295-M430 HydrophobicContact CD2-CG 4.44Å; F295-M430 HydrophobicContact CD2-SD 4.19Å; F295-M430 HydrophobicContact CE2-CB 4.47Å; F295-M430 HydrophobicContact CE2-SD 4.08Å; R298-M430 HydrophobicContact CB-CG 3.81Å; R298-M430 HydrophobicContact CB-SD 4.4Å; R298-M430 WeakPolarHBondContact CD-O 3.28Å; R298-M430 PolarHBondContact NH1-O 2.93Å; A299-M430 HydrophobicContact CB-SD 3.78Å; P428-M430 PolarHBondContact O-N 2.95Å
431V93.2Very high94.9Very high6 Ų627.3 Ų27.34%0.03614%0.138CC..THydrogen-bonded Turntrans-94.6-48-179.11770000111.3F295 R298 L377 V427 P428 Y429F295-V431 HydrophobicContact CB-CG2 3.4Å; F295-V431 VanDerWaalsContact CB-CG2 3.4Å; F295-V431 HydrophobicContact CD1-CG2 4.08Å; F295-V431 HydrophobicContact CD2-CG2 3.72Å; F295-V431 HydrophobicContact CG-CG2 3.47Å; F295-V431 VanDerWaalsContact CG-CG2 3.47Å; R298-V431 PolarHBondContact NH1-O 3.39Å; L377-V431 HydrophobicContact CD1-CG1 4.41Å; V427-V431 HydrophobicContact CG1-CB 3.72Å; V427-V431 HydrophobicContact CG1-CG1 3.79Å; P428-V431 HydrophobicContact CG-CB 4.27Å; P428-V431 HydrophobicContact CG-CG2 3.8Å; P428-V431 PolarHBondContact O-N 2.84Å; Y429-V431 PolarHBondContact O-N 2.83Å; Y429-V431 VanDerWaalsContact O-N 3.15Å
432L94.4Very high94.8Very high2 Ų230.6 Ų30.61%0.0117%0.166CC..  trans-137137.1174.7-72.1173.8000110N397 V427 P428 Y429 F441 D443 E446 Y447 L450N397-L432 PolarHBondContact ND2-O 3.42Å; V427-L432 HydrophobicContact CG1-CB 3.9Å; V427-L432 HydrophobicContact CG1-CD1 4.17Å; V427-L432 HydrophobicContact CG1-CG 4.14Å; P428-L432 PolarHBondContact O-N 3.37Å; Y429-L432 WeakPolarHBondContact CA-O 3.18Å; Y429-L432 CarbonylContact O-C 3.51Å; L432-F441 HydrophobicContact CB-CD1 3.51Å; L432-F441 HydrophobicContact CB-CE1 3.79Å; L432-F441 HydrophobicContact CB-CG 4.26Å; L432-F441 HydrophobicContact CD1-CD1 4.05Å; L432-F441 HydrophobicContact CD1-CD2 4.39Å; L432-F441 HydrophobicContact CD1-CE1 4.24Å; L432-F441 HydrophobicContact CD1-CG 4.1Å; L432-F441 HydrophobicContact CG-CD1 4.29Å; L432-D443 HydrophobicContact CD2-CB 4.19Å; L432-E446 HydrophobicContact CD2-CB 3.6Å; L432-Y447 HydrophobicContact CD1-CD2 4.25Å; L432-L450 HydrophobicContact CD1-CD2 3.73Å
433E93.1Very high94.8Very high84 Ų8433.2 Ų33.239%0.39318%0.18SC..PPolyproline II helixtrans-103.2139.6172.2-59.1-172.4177.800109.3Y429 F441 A442Y429-E433 HydrophobicContact CD1-CG 4Å; Y429-E433 HydrophobicContact CD2-CG 4.21Å; Y429-E433 HydrophobicContact CE1-CG 3.6Å; Y429-E433 WeakPolarHBondContact CE1-OE1 3.21Å; Y429-E433 HydrophobicContact CE2-CB 4.01Å; Y429-E433 HydrophobicContact CE2-CG 3.82Å; Y429-E433 HydrophobicContact CG-CG 4.3Å; Y429-E433 VanDerWaalsContact CZ-CG 3.49Å; Y429-E433 VanDerWaalsContact OH-CD 3.31Å; Y429-E433 PolarHBondContact OH-OE2 2.99Å; E433-F441 WeakPolarHBondContact O-CA 3.43Å; E433-A442 PolarHBondContact O-N 3.33Å
434P94.6Very high94.6Very high9 Ų935.5 Ų35.56%0.05820%0.199CC..BIsolated β-bridgetrans-72.9155.3177.327.9-30.6000111.4Y98 N397 I402 K438 D440Y98-P434 HydrophobicContact CE2-CG 4.08Å; Y98-P434 WeakPolarHBondContact OH-CD 3.43Å; Y98-P434 PolarHBondContact OH-O 2.78Å; N397-P434 WeakPolarHBondContact OD1-CD 3.43Å; I402-P434 HydrophobicContact CD1-CB 4Å; P434-K438 HydrophobicContact CB-CB 4.24Å; P434-K438 HydrophobicContact CB-CG 4.2Å; P434-K438 HydrophobicContact CG-CG 4.3Å; P434-D440 CarbonylContact C-O 3.54Å; P434-D440 VanDerWaalsContact CA-O 3.27Å; P434-D440 WeakPolarHBondContact CA-O 3.34Å
435T94.8Very high94.5Very high39 Ų3940 Ų4024%0.23922%0.218CC..PPolyproline II helixtrans-64.7173.9166.955.70000111.4N437 K438 D440T435-N437 VanDerWaalsContact C-N 3.26Å; T435-N437 PolarHBondContact O-N 2.87Å; T435-N437 PolarHBondContact OG1-OD1 2.92Å; T435-K438 PolarHBondContact O-N 2.86Å; T435-D440 HydrophobicContact CG2-CB 3.92Å; T435-D440 PolarHBondContact N-O 2.84Å; T435-D440 PolarHBondContact OG1-N 2.8Å; T435-D440 PolarHBondContact OG1-O 2.84Å
436H90.3Very high94.4Very high78 Ų7841.9 Ų41.936%0.36123%0.226SC..THydrogen-bonded Turntrans-58.8-30.7-175.1-176.6-102.5000114.9N20 T23 N100N20-H436 PolarHBondContact OD1-CE1 2.95Å; T23-H436 WeakPolarHBondContact CB-ND1 3.3Å; T23-H436 PolarHBondContact OG1-ND1 3.42Å; N100-H436 PolarHBondContact ND2-CE1 3.14Å; N100-H436 PolarHBondContact ND2-NE2 2.84Å
437N93.4Very high94.4Very high29 Ų2940.2 Ų40.216%0.15522%0.216CC..THydrogen-bonded Turntrans-94.6-0.817664.69000114T23 T435 Q439T23-N437 HydrophobicContact CG2-CB 4.22Å; T23-N437 WeakPolarHBondContact O-CB 3.48Å; T23-N437 PolarHBondContact O-ND2 2.65Å; T435-N437 VanDerWaalsContact C-N 3.26Å; T435-N437 PolarHBondContact O-N 2.87Å; T435-N437 PolarHBondContact OG1-OD1 2.92Å; N437-Q439 PolarHBondContact O-N 3.28Å; N437-Q439 VanDerWaalsContact O-N 3.17Å; N437-Q439 PolarHBondContact O-NE2 3.31Å; N437-Q439 PolarHBondContact OD1-N 2.91Å
438K96.3Very high94.4Very high4 Ų446.1 Ų46.12%0.01724%0.239CC..SBendtrans52.631.8-175.7-51.3173-174.61570114.3E33 D36 I95 I402 P434 T435E33-K438 VanDerWaalsContact CD-NZ 3.27Å; E33-K438 WeakPolarHBondContact OE1-CD 3.36Å; E33-K438 VanDerWaalsContact OE1-CE 3.24Å; E33-K438 WeakPolarHBondContact OE1-CE 3.27Å; E33-K438 IonicContact OE1-NZ 2.65Å; E33-K438 PolarHBondContact OE1-NZ 3Å; E33-K438 IonicContact OE2-NZ 2.8Å; E33-K438 PolarHBondContact OE2-NZ 3.5Å; D36-K438 IonicContact OD2-NZ 3.58Å; D36-K438 PolarHBondContact OD2-NZ 3.11Å; I95-K438 HydrophobicContact CG2-CD 4.28Å; I402-K438 HydrophobicContact CD1-CB 4.04Å; I402-K438 WeakPolarHBondContact CD1-O 3.26Å; P434-K438 HydrophobicContact CB-CB 4.24Å; P434-K438 HydrophobicContact CB-CG 4.2Å; P434-K438 HydrophobicContact CG-CG 4.3Å; T435-K438 PolarHBondContact O-N 2.86Å
439Q95.3Very high94.6Very high31 Ų3146.9 Ų46.915%0.14524%0.239CC..SBendtrans-108-2.8172.1-57.9-47.5-65.300112.6K403 N437K403-Q439 WeakPolarHBondContact CD-O 3.26Å; N437-Q439 PolarHBondContact O-N 3.28Å; N437-Q439 VanDerWaalsContact O-N 3.17Å; N437-Q439 PolarHBondContact O-NE2 3.31Å; N437-Q439 PolarHBondContact OD1-N 2.91Å
440D96.8Very high94.9Very high54 Ų5445 Ų4529%0.28923%0.232SC..SBendtrans-148.3-176.6171.4-138.5-46.5000111.6I402 K403 P434 T435I402-D440 WeakPolarHBondContact CG2-O 3.37Å; K403-D440 IonicContact NZ-OD1 3.56Å; K403-D440 IonicContact NZ-OD2 3.91Å; K403-D440 PolarHBondContact NZ-OD2 3.2Å; P434-D440 CarbonylContact C-O 3.54Å; P434-D440 VanDerWaalsContact CA-O 3.27Å; P434-D440 WeakPolarHBondContact CA-O 3.34Å; T435-D440 HydrophobicContact CG2-CB 3.92Å; T435-D440 PolarHBondContact N-O 2.84Å; T435-D440 PolarHBondContact OG1-N 2.8Å; T435-D440 PolarHBondContact OG1-O 2.84Å
441F96.4Very high95.3Very high8 Ų842.6 Ų42.64%0.03522%0.22CC..BIsolated β-bridgetrans-107.3140.1176.6-67.6-76.6000112V395 N397 I402 K403 L432 E433 D443 Y447V395-F441 HydrophobicContact CB-CE2 4.11Å; V395-F441 HydrophobicContact CB-CZ 4.39Å; V395-F441 HydrophobicContact CG1-CE2 3.52Å; V395-F441 HydrophobicContact CG1-CZ 3.56Å; N397-F441 HydrophobicContact CB-CE1 3.97Å; N397-F441 HydrophobicContact CB-CZ 4.38Å; I402-F441 HydrophobicContact CB-CE1 4.4Å; I402-F441 HydrophobicContact CB-CE2 3.95Å; I402-F441 HydrophobicContact CB-CZ 3.74Å; I402-F441 HydrophobicContact CG1-CE1 4.12Å; I402-F441 HydrophobicContact CG1-CZ 3.83Å; I402-F441 HydrophobicContact CG2-CD2 4.15Å; I402-F441 HydrophobicContact CG2-CE1 4.31Å; I402-F441 HydrophobicContact CG2-CE2 3.78Å; I402-F441 HydrophobicContact CG2-CZ 3.89Å; K403-F441 HydrophobicContact CG-CE2 4.25Å; L432-F441 HydrophobicContact CB-CD1 3.51Å; L432-F441 HydrophobicContact CB-CE1 3.79Å; L432-F441 HydrophobicContact CB-CG 4.26Å; L432-F441 HydrophobicContact CD1-CD1 4.05Å; L432-F441 HydrophobicContact CD1-CD2 4.39Å; L432-F441 HydrophobicContact CD1-CE1 4.24Å; L432-F441 HydrophobicContact CD1-CG 4.1Å; L432-F441 HydrophobicContact CG-CD1 4.29Å; E433-F441 WeakPolarHBondContact O-CA 3.43Å; F441-D443 VanDerWaalsContact C-N 3.33Å; F441-D443 PolarHBondContact O-N 2.89Å; F441-Y447 HydrophobicContact CB-CG 4.42Å; F441-Y447 AromaticContact CD2-CD2 3.39Å; F441-Y447 HydrophobicContact CD2-CD2 3.39Å; F441-Y447 AromaticContact CD2-CE2 3.65Å; F441-Y447 HydrophobicContact CD2-CE2 3.65Å; F441-Y447 HydrophobicContact CD2-CG 4.03Å; F441-Y447 AromaticContact CE2-CD2 3.91Å; F441-Y447 HydrophobicContact CE2-CD2 3.91Å; F441-Y447 AromaticContact CE2-CE2 3.84Å; F441-Y447 HydrophobicContact CE2-CE2 3.84Å; F441-Y447 HydrophobicContact CG-CD2 4.21Å
442A95.7Very high95.4Very high69 Ų6948.3 Ų48.357%0.5724%0.241SC*.SBendtrans-69.9-29.6-17700000113.1E433E433-A442 PolarHBondContact O-N 3.33Å
443D96.2Very high95.5Very high57 Ų5748.7 Ų48.731%0.30524%0.244SC..  trans-101.190176.9-168.8-25.1000110.2R298 L432 F441 K445 E446 Y447R298-D443 IonicContact NH2-OD2 3.59Å; R298-D443 PolarHBondContact NH2-OD2 2.95Å; L432-D443 HydrophobicContact CD2-CB 4.19Å; F441-D443 VanDerWaalsContact C-N 3.33Å; F441-D443 PolarHBondContact O-N 2.89Å; D443-K445 VanDerWaalsContact C-N 3.29Å; D443-K445 PolarHBondContact O-N 3.16Å; D443-K445 PolarHBondContact OD1-N 3.49Å; D443-E446 HydrophobicContact CB-CB 4.24Å; D443-E446 HydrophobicContact CB-CG 4.48Å; D443-E446 VanDerWaalsContact CG-CG 3.49Å; D443-E446 PolarHBondContact OD1-N 3.16Å; D443-E446 WeakPolarHBondContact OD2-CG 3.48Å; D443-Y447 WeakPolarHBondContact O-CB 3.49Å; D443-Y447 PolarHBondContact O-N 3.4Å
444A95.7Very high95.7Very high49 Ų4944.7 Ų44.741%0.40523%0.226SC..Hα-helixtrans-64.4-31.7-178.400000112.8Y447 R448A444-Y447 PolarHBondContact O-N 3.19Å; A444-R448 WeakPolarHBondContact O-CG 3.37Å; A444-R448 PolarHBondContact O-N 3.44Å
445K95.8Very high95.8Very high107 Ų10745 Ų4547%0.46523%0.228SC..Hα-helixtrans-67-51.6179.9-178178.2176.9175.70110.3D443 Y447 R448 Q449D443-K445 VanDerWaalsContact C-N 3.29Å; D443-K445 PolarHBondContact O-N 3.16Å; D443-K445 PolarHBondContact OD1-N 3.49Å; K445-Y447 VanDerWaalsContact C-N 3.31Å; K445-Y447 PolarHBondContact O-N 2.95Å; K445-R448 PolarHBondContact O-N 3.12Å; K445-Q449 WeakPolarHBondContact O-CG 3.36Å; K445-Q449 PolarHBondContact O-N 3.04Å
446E95.5Very high95.8Very high39 Ų3947.9 Ų47.918%0.18224%0.243CC..Hα-helixtrans-64.3-36.2177.1-70.2-73.6155.100111.6T294 L432 D443 Q449 L450T294-E446 WeakPolarHBondContact CB-OE2 3.37Å; T294-E446 VanDerWaalsContact CG2-OE2 3.3Å; T294-E446 WeakPolarHBondContact CG2-OE2 3.36Å; T294-E446 PolarHBondContact OG1-OE1 3.02Å; T294-E446 PolarHBondContact OG1-OE2 2.9Å; L432-E446 HydrophobicContact CD2-CB 3.6Å; D443-E446 HydrophobicContact CB-CB 4.24Å; D443-E446 HydrophobicContact CB-CG 4.48Å; D443-E446 VanDerWaalsContact CG-CG 3.49Å; D443-E446 PolarHBondContact OD1-N 3.16Å; D443-E446 WeakPolarHBondContact OD2-CG 3.48Å; E446-Q449 PolarHBondContact O-N 2.86Å; E446-L450 PolarHBondContact O-N 3.41Å
447Y97.3Very high96.1Very high22 Ų2244.6 Ų44.69%0.08623%0.227CC..Hα-helixtrans-62.6-45.4174.5177.2-115.1000112.3V395 K403 L432 F441 D443 A444 K445 Q449 L450 M451V395-Y447 HydrophobicContact CG2-CE2 4.36Å; K403-Y447 HydrophobicContact CG-CE2 4.43Å; L432-Y447 HydrophobicContact CD1-CD2 4.25Å; F441-Y447 HydrophobicContact CB-CG 4.42Å; F441-Y447 AromaticContact CD2-CD2 3.39Å; F441-Y447 HydrophobicContact CD2-CD2 3.39Å; F441-Y447 AromaticContact CD2-CE2 3.65Å; F441-Y447 HydrophobicContact CD2-CE2 3.65Å; F441-Y447 HydrophobicContact CD2-CG 4.03Å; F441-Y447 AromaticContact CE2-CD2 3.91Å; F441-Y447 HydrophobicContact CE2-CD2 3.91Å; F441-Y447 AromaticContact CE2-CE2 3.84Å; F441-Y447 HydrophobicContact CE2-CE2 3.84Å; F441-Y447 HydrophobicContact CG-CD2 4.21Å; D443-Y447 WeakPolarHBondContact O-CB 3.49Å; D443-Y447 PolarHBondContact O-N 3.4Å; A444-Y447 PolarHBondContact O-N 3.19Å; K445-Y447 VanDerWaalsContact C-N 3.31Å; K445-Y447 PolarHBondContact O-N 2.95Å; Y447-Q449 VanDerWaalsContact C-N 3.33Å; Y447-Q449 PolarHBondContact O-N 2.93Å; Y447-L450 WeakPolarHBondContact O-CB 3.41Å; Y447-L450 PolarHBondContact O-N 2.98Å; Y447-M451 HydrophobicContact CD1-CG 4.49Å; Y447-M451 HydrophobicContact CD2-CE 4.12Å; Y447-M451 HydrophobicContact CD2-CG 4.37Å; Y447-M451 HydrophobicContact CE1-CG 4.06Å; Y447-M451 HydrophobicContact CE2-CE 3.54Å; Y447-M451 HydrophobicContact CE2-CG 3.94Å; Y447-M451 HydrophobicContact CE2-SD 3.82Å; Y447-M451 WeakPolarHBondContact O-CG 3.34Å; Y447-M451 PolarHBondContact O-N 3.1Å
448R96.4Very high96.3Very high125 Ų12543.2 Ų43.247%0.47222%0.22SC..Hα-helixtrans-61.2-40.1174.4-76-168.2-63-95.63112.2A444 K445 M451 R452A444-R448 WeakPolarHBondContact O-CG 3.37Å; A444-R448 PolarHBondContact O-N 3.44Å; K445-R448 PolarHBondContact O-N 3.12Å; R448-M451 PolarHBondContact O-N 3.11Å; R448-R452 WeakPolarHBondContact O-CG 3.16Å; R448-R452 PolarHBondContact O-N 3.48Å
449Q95.9Very high96.2Very high55 Ų5545.7 Ų45.726%0.25723%0.232SC..Hα-helixtrans-62.6-42.3174.2-72.7179.6-3.600112.1K445 E446 Y447 M451 R452 A453K445-Q449 WeakPolarHBondContact O-CG 3.36Å; K445-Q449 PolarHBondContact O-N 3.04Å; E446-Q449 PolarHBondContact O-N 2.86Å; Y447-Q449 VanDerWaalsContact C-N 3.33Å; Y447-Q449 PolarHBondContact O-N 2.93Å; Q449-M451 PolarHBondContact O-N 2.8Å; Q449-R452 PolarHBondContact O-N 3.14Å; Q449-A453 WeakPolarHBondContact O-CB 3.21Å; Q449-A453 PolarHBondContact O-N 2.97Å
450L97Very high96.2Very high9 Ų944.8 Ų44.85%0.04723%0.228CC..Hα-helixtrans-59.8-44.8173.2176.365.4000111.4L377 F379 V395 V427 L432 E446 Y447 A453 M454L377-L450 HydrophobicContact CD1-CD1 3.67Å; F379-L450 HydrophobicContact CE1-CD1 3.72Å; F379-L450 HydrophobicContact CZ-CD1 3.83Å; V395-L450 HydrophobicContact CG1-CD2 4.33Å; V427-L450 HydrophobicContact CG2-CD2 3.69Å; L432-L450 HydrophobicContact CD1-CD2 3.73Å; E446-L450 PolarHBondContact O-N 3.41Å; Y447-L450 WeakPolarHBondContact O-CB 3.41Å; Y447-L450 PolarHBondContact O-N 2.98Å; L450-A453 PolarHBondContact O-N 2.77Å; L450-M454 HydrophobicContact CD1-CG 4.38Å; L450-M454 HydrophobicContact CG-SD 4.44Å; L450-M454 WeakPolarHBondContact O-CG 3.43Å; L450-M454 PolarHBondContact O-N 3.04Å
451M97.2Very high96.2Very high18 Ų1842.2 Ų42.29%0.08921%0.214CC..Hα-helixtrans-63.3-42.2178.1-67-56.594.500112.1V395 Q406 I408 Y447 R448 Q449 M454 A455V395-M451 HydrophobicContact CG2-CE 3.75Å; V395-M451 HydrophobicContact CG2-SD 4.41Å; Q406-M451 HydrophobicContact CG-SD 4.11Å; I408-M451 HydrophobicContact CG2-CB 4.1Å; I408-M451 HydrophobicContact CG2-CG 4.34Å; I408-M451 HydrophobicContact CG2-SD 3.89Å; Y447-M451 HydrophobicContact CD1-CG 4.49Å; Y447-M451 HydrophobicContact CD2-CE 4.12Å; Y447-M451 HydrophobicContact CD2-CG 4.37Å; Y447-M451 HydrophobicContact CE1-CG 4.06Å; Y447-M451 HydrophobicContact CE2-CE 3.54Å; Y447-M451 HydrophobicContact CE2-CG 3.94Å; Y447-M451 HydrophobicContact CE2-SD 3.82Å; Y447-M451 WeakPolarHBondContact O-CG 3.34Å; Y447-M451 PolarHBondContact O-N 3.1Å; R448-M451 PolarHBondContact O-N 3.11Å; Q449-M451 PolarHBondContact O-N 2.8Å; M451-M454 HydrophobicContact CE-SD 3.74Å; M451-M454 PolarHBondContact O-N 3.14Å; M451-A455 PolarHBondContact O-N 3.47Å
452R95.7Very high96.2Very high127 Ų12742.2 Ų42.248%0.47921%0.214SC..Hα-helixtrans-58.3-50.2172.5-75.8-171.2-80169-13.9111.5R448 Q449 M454 A455 D456R448-R452 WeakPolarHBondContact O-CG 3.16Å; R448-R452 PolarHBondContact O-N 3.48Å; Q449-R452 PolarHBondContact O-N 3.14Å; R452-M454 VanDerWaalsContact C-N 3.31Å; R452-M454 PolarHBondContact O-N 3.32Å; R452-A455 WeakPolarHBondContact O-CB 3.3Å; R452-A455 PolarHBondContact O-N 3.42Å; R452-D456 PolarHBondContact O-N 2.89Å
453A96.3Very high96.1Very high10 Ų1042.3 Ų42.38%0.08321%0.205CC..Hα-helixtrans-59.2-41.6177.300000111.8F290 F379 Q449 L450 A455 D456 H457F290-A453 HydrophobicContact CD2-CB 4.2Å; F290-A453 HydrophobicContact CE1-CB 4.17Å; F290-A453 HydrophobicContact CE2-CB 3.76Å; F290-A453 HydrophobicContact CZ-CB 3.74Å; F379-A453 HydrophobicContact CE2-CB 4.36Å; F379-A453 HydrophobicContact CZ-CB 4.4Å; Q449-A453 WeakPolarHBondContact O-CB 3.21Å; Q449-A453 PolarHBondContact O-N 2.97Å; L450-A453 PolarHBondContact O-N 2.77Å; A453-A455 VanDerWaalsContact C-N 3.3Å; A453-A455 PolarHBondContact O-N 3.42Å; A453-D456 PolarHBondContact O-N 3.37Å; A453-H457 PolarHBondContact O-N 2.67Å; A453-H457 PolarHBondContact O-ND1 2.87Å
454M97.6Very high96Very high0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-64.4-33.7175.3-72.8-172.776.800112.4F379 M393 I408 V425 L450 M451 R452 H457 L458F379-M454 HydrophobicContact CD1-CE 4.5Å; F379-M454 HydrophobicContact CD1-CG 3.96Å; F379-M454 HydrophobicContact CD1-SD 4.46Å; F379-M454 HydrophobicContact CD2-CG 4.1Å; F379-M454 HydrophobicContact CE1-CG 3.76Å; F379-M454 HydrophobicContact CE1-SD 4.43Å; F379-M454 HydrophobicContact CE2-CG 3.88Å; F379-M454 HydrophobicContact CG-CG 4.14Å; F379-M454 HydrophobicContact CZ-CG 3.71Å; M393-M454 HydrophobicContact CB-CE 4.25Å; M393-M454 HydrophobicContact CG-CE 4.08Å; M393-M454 HydrophobicContact SD-CE 3.64Å; I408-M454 HydrophobicContact CD1-CB 3.47Å; I408-M454 VanDerWaalsContact CD1-CB 3.47Å; V425-M454 HydrophobicContact CB-CE 4.15Å; V425-M454 HydrophobicContact CB-SD 4.25Å; V425-M454 HydrophobicContact CG1-CE 3.92Å; V425-M454 HydrophobicContact CG1-SD 3.63Å; L450-M454 HydrophobicContact CD1-CG 4.38Å; L450-M454 HydrophobicContact CG-SD 4.44Å; L450-M454 WeakPolarHBondContact O-CG 3.43Å; L450-M454 PolarHBondContact O-N 3.04Å; M451-M454 HydrophobicContact CE-SD 3.74Å; M451-M454 PolarHBondContact O-N 3.14Å; R452-M454 VanDerWaalsContact C-N 3.31Å; R452-M454 PolarHBondContact O-N 3.32Å; M454-H457 PolarHBondContact O-N 3.3Å; M454-L458 WeakPolarHBondContact O-CB 3.28Å; M454-L458 PolarHBondContact O-N 2.84Å
455A96.4Very high95.9Very high14 Ų1440.6 Ų40.612%0.11619%0.189CC..Hα-helixtrans-66.7-40.9179.600000111.6I408 M451 R452 A453 H457 L458 M459I408-A455 HydrophobicContact CB-CB 4.37Å; I408-A455 HydrophobicContact CD1-CB 4.05Å; I408-A455 HydrophobicContact CG1-CB 4.28Å; M451-A455 PolarHBondContact O-N 3.47Å; R452-A455 WeakPolarHBondContact O-CB 3.3Å; R452-A455 PolarHBondContact O-N 3.42Å; A453-A455 VanDerWaalsContact C-N 3.3Å; A453-A455 PolarHBondContact O-N 3.42Å; A455-H457 VanDerWaalsContact C-N 3.32Å; A455-H457 PolarHBondContact O-N 3.28Å; A455-L458 WeakPolarHBondContact O-CB 3.37Å; A455-L458 PolarHBondContact O-N 3.1Å; A455-M459 PolarHBondContact O-N 3.43Å
456D95.2Very high95.7Very high100 Ų10036.6 Ų36.654%0.53518%0.178SC..Hα-helixtrans-61.3-42.4174.3-68-23.1000111.8R452 A453 M459 Q460R452-D456 PolarHBondContact O-N 2.89Å; A453-D456 PolarHBondContact O-N 3.37Å; D456-M459 PolarHBondContact O-N 2.89Å; D456-Q460 PolarHBondContact O-N 2.87Å; D456-Q460 VanDerWaalsContact O-N 3.08Å
457H96.8Very high95.4Very high9 Ų935.8 Ų35.84%0.04218%0.175CC..Hα-helixtrans-72.8-31.5178.2-68.681.2000112.6F290 F379 F381 A453 M454 A455 M459 Q460 Y461F290-H457 AromaticContact CD2-CE1 3.86Å; F379-H457 HydrophobicContact CD2-CB 3.93Å; F379-H457 AromaticContact CD2-CG 3.66Å; F379-H457 AromaticContact CD2-ND1 3.74Å; F379-H457 AromaticContact CE2-CE1 3.85Å; F379-H457 AromaticContact CE2-ND1 3.59Å; F381-H457 HydrophobicContact CE2-CB 3.74Å; F381-H457 HydrophobicContact CZ-CB 4.04Å; A453-H457 PolarHBondContact O-N 2.67Å; A453-H457 PolarHBondContact O-ND1 2.87Å; M454-H457 PolarHBondContact O-N 3.3Å; A455-H457 VanDerWaalsContact C-N 3.32Å; A455-H457 PolarHBondContact O-N 3.28Å; H457-M459 VanDerWaalsContact C-N 3.34Å; H457-Q460 PolarHBondContact O-N 3.31Å; H457-Y461 WeakPolarHBondContact O-CB 3.22Å; H457-Y461 PolarHBondContact O-N 3.18Å
458L96.7Very high94.8Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-61.5-44.517217361.8000110.5F381 M393 I408 Q411 C418 V421 M454 A455 Y461 W462F381-L458 HydrophobicContact CD1-CD1 3.95Å; F381-L458 HydrophobicContact CE1-CB 3.82Å; F381-L458 HydrophobicContact CE1-CD1 4.01Å; F381-L458 HydrophobicContact CE1-CG 4.49Å; F381-L458 HydrophobicContact CZ-CB 4.11Å; M393-L458 HydrophobicContact CE-CD2 4.26Å; I408-L458 HydrophobicContact CG1-CD2 4.07Å; Q411-L458 HydrophobicContact CG-CD2 3.95Å; C418-L458 HydrophobicContact CB-CD1 4.18Å; C418-L458 HydrophobicContact CB-CD2 4Å; C418-L458 HydrophobicContact CB-CG 4.11Å; V421-L458 HydrophobicContact CB-CD1 3.95Å; V421-L458 HydrophobicContact CG1-CD1 3.46Å; V421-L458 VanDerWaalsContact CG1-CD1 3.46Å; V421-L458 HydrophobicContact CG2-CD1 4.5Å; M454-L458 WeakPolarHBondContact O-CB 3.28Å; M454-L458 PolarHBondContact O-N 2.84Å; A455-L458 WeakPolarHBondContact O-CB 3.37Å; A455-L458 PolarHBondContact O-N 3.1Å; L458-Y461 WeakPolarHBondContact O-CB 3.36Å; L458-Y461 PolarHBondContact O-N 3.01Å; L458-W462 PolarHBondContact O-N 2.86Å
459M94.8Very high94.2Very high57 Ų5740.7 Ų40.728%0.28120%0.204SC..Hα-helixtrans-62.7-42.6174.8-80.8-57.5-6200112.3P410 M417 A455 D456 H457 Y461 W462 D463P410-M459 HydrophobicContact CB-SD 4.39Å; P410-M459 HydrophobicContact CG-CG 3.88Å; P410-M459 HydrophobicContact CG-SD 3.23Å; P410-M459 WeakPolarHBondContact CG-SD 3.16Å; M417-M459 HydrophobicContact CE-CE 3.91Å; M417-M459 HydrophobicContact CE-SD 4.31Å; A455-M459 PolarHBondContact O-N 3.43Å; D456-M459 PolarHBondContact O-N 2.89Å; H457-M459 VanDerWaalsContact C-N 3.34Å; M459-Y461 VanDerWaalsContact C-N 3.29Å; M459-Y461 PolarHBondContact O-N 3.34Å; M459-W462 WeakPolarHBondContact O-CB 3.28Å; M459-W462 PolarHBondContact O-N 2.97Å; M459-D463 PolarHBondContact O-N 3.32Å
460Q95.5Very high93.7Very high12 Ų1244 Ų446%0.05622%0.219CC..Hα-helixtrans-60.8-40.9173.2-17664.963.800112.1Y288 D456 H457 W462 D463 D464 V562 L563Y288-Q460 HydrophobicContact CE1-CB 4.38Å; Y288-Q460 HydrophobicContact CE1-CG 3.82Å; D456-Q460 PolarHBondContact O-N 2.87Å; D456-Q460 VanDerWaalsContact O-N 3.08Å; H457-Q460 PolarHBondContact O-N 3.31Å; Q460-W462 VanDerWaalsContact C-N 3.34Å; Q460-D463 PolarHBondContact O-N 2.65Å; Q460-D464 PolarHBondContact NE2-OD1 2.81Å; Q460-D464 VanDerWaalsContact O-CB 3.28Å; Q460-D464 WeakPolarHBondContact O-CB 3.33Å; Q460-D464 PolarHBondContact O-N 3.1Å; Q460-V562 WeakPolarHBondContact CG-O 3.17Å; Q460-L563 HydrophobicContact CB-CD1 3.69Å; Q460-L563 HydrophobicContact CG-CD1 4.22Å
461Y97.1Very high93Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-62-42.3176.2172.3-103.8000112.1S284 R286 Y288 F381 G382 V383 V421 H457 L458 M459 D464 L465S284-Y461 WeakPolarHBondContact O-CE2 3.29Å; S284-Y461 PolarHBondContact O-OH 2.73Å; R286-Y461 HydrophobicContact CB-CD2 3.98Å; R286-Y461 HydrophobicContact CB-CE2 4.07Å; R286-Y461 HydrophobicContact CG-CD2 4.29Å; R286-Y461 HydrophobicContact CG-CE2 4.16Å; Y288-Y461 HydrophobicContact CE2-CD2 4.21Å; Y288-Y461 VanDerWaalsContact OH-CA 3.29Å; Y288-Y461 WeakPolarHBondContact OH-CA 3.33Å; F381-Y461 HydrophobicContact CB-CD1 3.62Å; F381-Y461 HydrophobicContact CB-CD2 3.64Å; F381-Y461 HydrophobicContact CB-CE1 3.87Å; F381-Y461 HydrophobicContact CB-CE2 3.9Å; F381-Y461 HydrophobicContact CB-CG 3.48Å; F381-Y461 VanDerWaalsContact CB-CG 3.48Å; F381-Y461 HydrophobicContact CD2-CG 4.43Å; F381-Y461 HydrophobicContact CG-CD1 4.26Å; F381-Y461 HydrophobicContact CG-CG 4.04Å; G382-Y461 VanDerWaalsContact CA-OH 3.24Å; G382-Y461 WeakPolarHBondContact CA-OH 3.2Å; V383-Y461 HydrophobicContact CG2-CE1 4.39Å; V383-Y461 PolarHBondContact N-OH 2.77Å; V421-Y461 HydrophobicContact CB-CE1 4.5Å; V421-Y461 HydrophobicContact CG1-CD1 3.76Å; V421-Y461 HydrophobicContact CG1-CE1 3.56Å; V421-Y461 HydrophobicContact CG2-CD1 4.46Å; V421-Y461 HydrophobicContact CG2-CE1 4.08Å; H457-Y461 WeakPolarHBondContact O-CB 3.22Å; H457-Y461 PolarHBondContact O-N 3.18Å; L458-Y461 WeakPolarHBondContact O-CB 3.36Å; L458-Y461 PolarHBondContact O-N 3.01Å; M459-Y461 VanDerWaalsContact C-N 3.29Å; M459-Y461 PolarHBondContact O-N 3.34Å; Y461-D464 PolarHBondContact O-N 3.08Å; Y461-L465 HydrophobicContact CD1-CD1 4.03Å; Y461-L465 HydrophobicContact CD1-CG 4.37Å; Y461-L465 HydrophobicContact CE1-CD1 3.38Å; Y461-L465 HydrophobicContact CE1-CD2 4.45Å; Y461-L465 HydrophobicContact CE1-CG 3.88Å; Y461-L465 HydrophobicContact CE2-CD1 4.44Å; Y461-L465 HydrophobicContact CE2-CD2 4.13Å; Y461-L465 HydrophobicContact CE2-CG 4.06Å; Y461-L465 WeakPolarHBondContact O-CG 3.37Å; Y461-L465 PolarHBondContact O-N 2.82Å
462W95.2Very high92.4Very high8 Ų852.6 Ų52.63%0.0327%0.272CS..Hα-helixtrans-60.4-45.9175-167.6-103.7000112.2C418 V421 L458 M459 Q460 D464 L465 G466 I467 D468 L474C418-W462 VanDerWaalsContact CA-CZ3 3.44Å; C418-W462 HydrophobicContact CB-CE3 4.32Å; V421-W462 HydrophobicContact CG2-CE3 3.83Å; V421-W462 HydrophobicContact CG2-CZ3 3.73Å; L458-W462 PolarHBondContact O-N 2.86Å; M459-W462 WeakPolarHBondContact O-CB 3.28Å; M459-W462 PolarHBondContact O-N 2.97Å; Q460-W462 VanDerWaalsContact C-N 3.34Å; W462-D464 VanDerWaalsContact C-N 3.31Å; W462-D464 PolarHBondContact O-N 3.02Å; W462-L465 HydrophobicContact CE3-CD1 4.32Å; W462-L465 WeakPolarHBondContact O-CB 3.36Å; W462-L465 PolarHBondContact O-N 3.23Å; W462-G466 PolarHBondContact O-N 3.44Å; W462-I467 HydrophobicContact CE3-CD1 4.26Å; W462-I467 HydrophobicContact CH2-CD1 3.59Å; W462-I467 HydrophobicContact CH2-CG1 4.23Å; W462-I467 HydrophobicContact CZ2-CD1 4.07Å; W462-I467 HydrophobicContact CZ2-CG1 4.21Å; W462-I467 HydrophobicContact CZ3-CD1 3.68Å; W462-I467 HydrophobicContact CZ3-CG1 4.44Å; W462-D468 HydrophobicContact CZ2-CB 4.4Å; W462-L474 HydrophobicContact CH2-CD1 3.84Å; W462-L474 HydrophobicContact CZ2-CD1 4.02Å
463D93.6Very high92.2Very high70 Ų7047.6 Ų47.637%0.37426%0.256SS..Hα-helixtrans-60.3-41.7174.4-80.1-2.8000111.7M459 Q460 G466 K566M459-D463 PolarHBondContact O-N 3.32Å; Q460-D463 PolarHBondContact O-N 2.65Å; D463-G466 PolarHBondContact O-N 3.41Å; D463-K566 IonicContact OD2-NZ 3.64Å
464D94.2Very high91.9Very high34 Ų3448.4 Ų48.418%0.18226%0.259CS..Hα-helixtrans-70.6-27.8179.9-84.76.1000113.2R286 Y288 Q460 Y461 W462 K564R286-D464 IonicContact CZ-OD2 2.7Å; R286-D464 IonicContact NH1-OD2 3.76Å; R286-D464 PolarHBondContact NH1-OD2 3.26Å; Y288-D464 PolarHBondContact OH-OD2 2.96Å; Y288-D464 VanDerWaalsContact OH-OD2 3.07Å; Q460-D464 PolarHBondContact NE2-OD1 2.81Å; Q460-D464 VanDerWaalsContact O-CB 3.28Å; Q460-D464 WeakPolarHBondContact O-CB 3.33Å; Q460-D464 PolarHBondContact O-N 3.1Å; Y461-D464 PolarHBondContact O-N 3.08Å; W462-D464 VanDerWaalsContact C-N 3.31Å; W462-D464 PolarHBondContact O-N 3.02Å; D464-K564 IonicContact OD1-NZ 2.89Å
465L94Very high91.6Very high36 Ų3652.8 Ų52.819%0.18828%0.281CS..Hα-helixtrans-68.4-39.3170.2-79.2178.8000111.2V383 Y461 W462 I467V383-L465 HydrophobicContact CG2-CD1 3.67Å; V383-L465 HydrophobicContact CG2-CD2 4.46Å; Y461-L465 HydrophobicContact CD1-CD1 4.03Å; Y461-L465 HydrophobicContact CD1-CG 4.37Å; Y461-L465 HydrophobicContact CE1-CD1 3.38Å; Y461-L465 HydrophobicContact CE1-CD2 4.45Å; Y461-L465 HydrophobicContact CE1-CG 3.88Å; Y461-L465 HydrophobicContact CE2-CD1 4.44Å; Y461-L465 HydrophobicContact CE2-CD2 4.13Å; Y461-L465 HydrophobicContact CE2-CG 4.06Å; Y461-L465 WeakPolarHBondContact O-CG 3.37Å; Y461-L465 PolarHBondContact O-N 2.82Å; W462-L465 HydrophobicContact CE3-CD1 4.32Å; W462-L465 WeakPolarHBondContact O-CB 3.36Å; W462-L465 PolarHBondContact O-N 3.23Å; L465-I467 VanDerWaalsContact C-N 3.27Å; L465-I467 HydrophobicContact CB-CG1 4.27Å; L465-I467 HydrophobicContact CB-CG2 4.25Å; L465-I467 HydrophobicContact CD1-CD1 4.22Å; L465-I467 PolarHBondContact O-N 3.26Å
466G91.8Very high91.5Very high24 Ų2458.8 Ų58.825%0.24730%0.301CS..THydrogen-bonded Turntrans63.628.2178.100000114.5W462 D463 D468W462-G466 PolarHBondContact O-N 3.44Å; D463-G466 PolarHBondContact O-N 3.41Å; G466-D468 VanDerWaalsContact C-N 3.34Å
467I89Confident91.5Very high22 Ų2255.4 Ų55.411%0.11328%0.282CS..THydrogen-bonded Turntrans-84.6-3.4-178.258.6170.5000114.4W462 L465 S473 L474 F477W462-I467 HydrophobicContact CE3-CD1 4.26Å; W462-I467 HydrophobicContact CH2-CD1 3.59Å; W462-I467 HydrophobicContact CH2-CG1 4.23Å; W462-I467 HydrophobicContact CZ2-CD1 4.07Å; W462-I467 HydrophobicContact CZ2-CG1 4.21Å; W462-I467 HydrophobicContact CZ3-CD1 3.68Å; W462-I467 HydrophobicContact CZ3-CG1 4.44Å; L465-I467 VanDerWaalsContact C-N 3.27Å; L465-I467 HydrophobicContact CB-CG1 4.27Å; L465-I467 HydrophobicContact CB-CG2 4.25Å; L465-I467 HydrophobicContact CD1-CD1 4.22Å; L465-I467 PolarHBondContact O-N 3.26Å; I467-S473 CarbonylContact O-C 3.53Å; I467-S473 WeakPolarHBondContact O-CB 3.49Å; I467-S473 PolarHBondContact O-OG 3.4Å; I467-L474 HydrophobicContact CD1-CD1 4.12Å; I467-L474 PolarHBondContact O-N 2.86Å; I467-F477 HydrophobicContact CB-CD2 4.44Å; I467-F477 HydrophobicContact CD1-CD1 4.31Å; I467-F477 HydrophobicContact CD1-CE1 4.36Å; I467-F477 HydrophobicContact CG2-CD2 3.76Å; I467-F477 HydrophobicContact CG2-CE2 3.99Å; I467-F477 HydrophobicContact CG2-CG 4.3Å
468D84.7Confident91.4Very high79 Ų7955.2 Ų55.242%0.42228%0.281SS..THydrogen-bonded Turntrans-126.430.7-175.8-164.525000112.4W462 G466 S473W462-D468 HydrophobicContact CZ2-CB 4.4Å; G466-D468 VanDerWaalsContact C-N 3.34Å; D468-S473 WeakPolarHBondContact CA-OG 3.36Å
469K82.9Confident91.4Very high171 Ų17160.4 Ų60.474%0.74330%0.303SS*.SBendtrans-85.5-30.1-177.3-70.3-179176.9174.40113.7
470E86.1Confident91.4Very high124 Ų12460 Ų6058%0.57931%0.306SS*.SBendtrans-117149.7-178.6-65.4179.5-178.400110.1D472 S473 R476E470-D472 PolarHBondContact O-N 3.43Å; E470-S473 PolarHBondContact N-OG 2.86Å; E470-S473 VanDerWaalsContact O-CB 3.24Å; E470-S473 WeakPolarHBondContact O-CB 3.47Å; E470-S473 PolarHBondContact O-N 3.24Å; E470-S473 PolarHBondContact O-OG 3.18Å; E470-R476 IonicContact OE2-NH1 2.71Å
471P82.3Confident91.5Very high111 Ų11159.4 Ų59.472%0.72130%0.303SS*.THydrogen-bonded Turntrans-50.8138.3168.8-24.533.8000111.3S473P471-S473 PolarHBondContact O-N 2.89Å; P471-S473 VanDerWaalsContact O-N 3.09Å
472D85.4Confident91.4Very high97 Ų9759.5 Ų59.552%0.51930%0.304SS..THydrogen-bonded Turntrans63.8-1.5-176-48-42.2000117E470 L474 I475 R476E470-D472 PolarHBondContact O-N 3.43Å; D472-L474 VanDerWaalsContact C-N 3.3Å; D472-L474 PolarHBondContact O-N 3.02Å; D472-I475 PolarHBondContact O-N 2.7Å; D472-I475 VanDerWaalsContact O-N 3.1Å; D472-R476 WeakPolarHBondContact O-CG 3.34Å; D472-R476 PolarHBondContact O-N 3.18Å; D472-R476 IonicContact OD2-NH2 2.99Å
473S90Very high91.4Very high22 Ų2259.3 Ų59.315%0.15430%0.303CS..Hα-helixtrans-58.7-41-177.855.60000112.5I467 D468 E470 P471 I475 R476 F477I467-S473 CarbonylContact O-C 3.53Å; I467-S473 WeakPolarHBondContact O-CB 3.49Å; I467-S473 PolarHBondContact O-OG 3.4Å; D468-S473 WeakPolarHBondContact CA-OG 3.36Å; E470-S473 PolarHBondContact N-OG 2.86Å; E470-S473 VanDerWaalsContact O-CB 3.24Å; E470-S473 WeakPolarHBondContact O-CB 3.47Å; E470-S473 PolarHBondContact O-N 3.24Å; E470-S473 PolarHBondContact O-OG 3.18Å; P471-S473 PolarHBondContact O-N 2.89Å; P471-S473 VanDerWaalsContact O-N 3.09Å; S473-I475 PolarHBondContact O-N 3.28Å; S473-R476 PolarHBondContact O-N 2.9Å; S473-F477 WeakPolarHBondContact O-CB 3.32Å; S473-F477 PolarHBondContact O-N 3.36Å
474L90.7Very high91.5Very high27 Ų2760.2 Ų60.214%0.14131%0.308CS..Hα-helixtrans-60.6-43.3174.2-176.961.6000112.7M416 W462 I467 D472 F477 W478M416-L474 HydrophobicContact CB-CD2 4.23Å; W462-L474 HydrophobicContact CH2-CD1 3.84Å; W462-L474 HydrophobicContact CZ2-CD1 4.02Å; I467-L474 HydrophobicContact CD1-CD1 4.12Å; I467-L474 PolarHBondContact O-N 2.86Å; D472-L474 VanDerWaalsContact C-N 3.3Å; D472-L474 PolarHBondContact O-N 3.02Å; L474-F477 WeakPolarHBondContact O-CB 3.33Å; L474-F477 PolarHBondContact O-N 3.37Å; L474-W478 VanDerWaalsContact O-CD1 3.26Å; L474-W478 PolarHBondContact O-N 2.89Å; L474-W478 VanDerWaalsContact O-N 3.15Å
475I91.6Very high91.4Very high91 Ų9160.8 Ų60.847%0.46731%0.314SS..Hα-helixtrans-65.6-44.6178.2-62173.3000109.9D472 S473 F477 W478 K479D472-I475 PolarHBondContact O-N 2.7Å; D472-I475 VanDerWaalsContact O-N 3.1Å; S473-I475 PolarHBondContact O-N 3.28Å; I475-F477 VanDerWaalsContact C-N 3.32Å; I475-F477 PolarHBondContact O-N 3.33Å; I475-W478 PolarHBondContact O-N 2.76Å; I475-K479 HydrophobicContact CG2-CD 3.93Å; I475-K479 HydrophobicContact CG2-CG 4.33Å; I475-K479 WeakPolarHBondContact O-CB 3.18Å; I475-K479 WeakPolarHBondContact O-CG 3.4Å; I475-K479 PolarHBondContact O-N 3.12Å
476R93.5Very high91.1Very high140 Ų14064.2 Ų64.253%0.52835%0.348SS..Hα-helixtrans-62.6-39.8177.1-67.3179.4-155.31519.8111.4E470 D472 S473 K479 S480E470-R476 IonicContact OE2-NH1 2.71Å; D472-R476 WeakPolarHBondContact O-CG 3.34Å; D472-R476 PolarHBondContact O-N 3.18Å; D472-R476 IonicContact OD2-NH2 2.99Å; S473-R476 PolarHBondContact O-N 2.9Å; R476-K479 PolarHBondContact O-N 3.3Å; R476-S480 WeakPolarHBondContact O-CB 3.33Å; R476-S480 PolarHBondContact O-N 3.23Å
477F95Very high90.9Very high29 Ų2971.8 Ų71.813%0.12737%0.369CS..Hα-helixtrans-56.7-55.2176172.9-93.4000111V383 I467 S473 L474 I475 S480 F481V383-F477 HydrophobicContact CG1-CE1 4.08Å; V383-F477 HydrophobicContact CG1-CZ 4.07Å; I467-F477 HydrophobicContact CB-CD2 4.44Å; I467-F477 HydrophobicContact CD1-CD1 4.31Å; I467-F477 HydrophobicContact CD1-CE1 4.36Å; I467-F477 HydrophobicContact CG2-CD2 3.76Å; I467-F477 HydrophobicContact CG2-CE2 3.99Å; I467-F477 HydrophobicContact CG2-CG 4.3Å; S473-F477 WeakPolarHBondContact O-CB 3.32Å; S473-F477 PolarHBondContact O-N 3.36Å; L474-F477 WeakPolarHBondContact O-CB 3.33Å; L474-F477 PolarHBondContact O-N 3.37Å; I475-F477 VanDerWaalsContact C-N 3.32Å; I475-F477 PolarHBondContact O-N 3.33Å; F477-S480 WeakPolarHBondContact O-CB 3.32Å; F477-S480 PolarHBondContact O-N 2.89Å; F477-S480 PolarHBondContact O-OG 3.14Å; F477-F481 HydrophobicContact CD2-CE2 4.17Å; F477-F481 HydrophobicContact CE1-CD2 4.3Å; F477-F481 HydrophobicContact CE1-CE2 4.19Å; F477-F481 HydrophobicContact CE2-CD2 4.43Å; F477-F481 AromaticContact CE2-CE2 3.63Å; F477-F481 HydrophobicContact CE2-CE2 3.63Å; F477-F481 HydrophobicContact CZ-CD2 4.19Å; F477-F481 AromaticContact CZ-CE2 3.63Å; F477-F481 HydrophobicContact CZ-CE2 3.63Å; F477-F481 WeakPolarHBondContact O-CD2 3.49Å
478W95.5Very high90.8Very high6 Ų672.4 Ų72.42%0.02337%0.37CS..Hα-helixtrans-67.3-39-179.2-72.7115.9000113.3V383 R388 L474 I475 S480 F481 G482 Y483 W488V383-W478 HydrophobicContact CG1-CH2 3.48Å; V383-W478 VanDerWaalsContact CG1-CH2 3.48Å; V383-W478 HydrophobicContact CG1-CZ2 4.02Å; V383-W478 HydrophobicContact CG1-CZ3 4.24Å; R388-W478 HydrophobicContact CB-CE3 3.99Å; R388-W478 HydrophobicContact CB-CH2 3.46Å; R388-W478 VanDerWaalsContact CB-CH2 3.46Å; R388-W478 HydrophobicContact CB-CZ2 4.09Å; R388-W478 HydrophobicContact CB-CZ3 3.41Å; R388-W478 VanDerWaalsContact CB-CZ3 3.41Å; R388-W478 HydrophobicContact CG-CZ3 4.46Å; L474-W478 VanDerWaalsContact O-CD1 3.26Å; L474-W478 PolarHBondContact O-N 2.89Å; L474-W478 VanDerWaalsContact O-N 3.15Å; I475-W478 PolarHBondContact O-N 2.76Å; W478-S480 PolarHBondContact O-N 3.13Å; W478-F481 PolarHBondContact O-N 3.35Å; W478-G482 PolarHBondContact O-N 3.07Å; W478-Y483 HydrophobicContact CD2-CD2 4.49Å; W478-Y483 AromaticContact CE3-CD2 3.56Å; W478-Y483 HydrophobicContact CE3-CD2 3.56Å; W478-Y483 AromaticContact CE3-CE2 3.71Å; W478-Y483 HydrophobicContact CE3-CE2 3.71Å; W478-Y483 HydrophobicContact CE3-CG 4.39Å; W478-Y483 HydrophobicContact CZ3-CD2 4.21Å; W478-Y483 AromaticContact CZ3-CE2 3.87Å; W478-Y483 HydrophobicContact CZ3-CE2 3.87Å; W478-Y483 PolarHBondContact O-N 2.92Å; W478-Y483 VanDerWaalsContact O-N 3.14Å; W478-W488 AromaticContact CD1-CH2 3.99Å; W478-W488 HydrophobicContact CD2-CH2 4.38Å; W478-W488 AromaticContact CE2-CH2 3.61Å; W478-W488 AromaticContact CZ2-CH2 3.9Å; W478-W488 HydrophobicContact CZ2-CH2 3.9Å; W478-W488 HydrophobicContact CZ2-CZ2 4.14Å; W478-W488 AromaticContact NE1-CH2 3.35Å; W478-W488 AromaticContact NE1-CZ3 3.87Å
479K95.7Very high90.8Very high109 Ų10976.1 Ų76.147%0.47438%0.378SS..Hα-helixtrans-58.6-35.8173-78.1-178.1178.2178.10111.9I475 R476 F481 G482 Y498I475-K479 HydrophobicContact CG2-CD 3.93Å; I475-K479 HydrophobicContact CG2-CG 4.33Å; I475-K479 WeakPolarHBondContact O-CB 3.18Å; I475-K479 WeakPolarHBondContact O-CG 3.4Å; I475-K479 PolarHBondContact O-N 3.12Å; R476-K479 PolarHBondContact O-N 3.3Å; K479-F481 PolarHBondContact O-N 2.9Å; K479-G482 PolarHBondContact O-N 2.75Å; K479-Y498 WeakPolarHBondContact O-CE1 3.23Å
480S95.8Very high91.1Very high47 Ų4770.5 Ų70.533%0.32936%0.356SS..Hα-helixtrans-63.1-24.3177.884.40000113.7R476 F477 W478R476-S480 WeakPolarHBondContact O-CB 3.33Å; R476-S480 PolarHBondContact O-N 3.23Å; F477-S480 WeakPolarHBondContact O-CB 3.32Å; F477-S480 PolarHBondContact O-N 2.89Å; F477-S480 PolarHBondContact O-OG 3.14Å; W478-S480 PolarHBondContact O-N 3.13Å
481F96.7Very high91.4Very high1 Ų169.3 Ų69.30%0.00436%0.359CS..THydrogen-bonded Turntrans-96.35.5175.2-69.3-70000113.8V385 F477 W478 K479 Y483 R501 R502V385-F481 HydrophobicContact CB-CD1 4Å; V385-F481 HydrophobicContact CB-CD2 4.39Å; V385-F481 HydrophobicContact CB-CE1 4.21Å; V385-F481 HydrophobicContact CB-CG 4.07Å; V385-F481 HydrophobicContact CG1-CD1 4.14Å; V385-F481 HydrophobicContact CG1-CD2 3.88Å; V385-F481 HydrophobicContact CG1-CE1 4.02Å; V385-F481 HydrophobicContact CG1-CE2 3.76Å; V385-F481 HydrophobicContact CG1-CG 4.06Å; V385-F481 HydrophobicContact CG1-CZ 3.82Å; V385-F481 HydrophobicContact CG2-CD1 4.42Å; V385-F481 HydrophobicContact CG2-CE1 4.38Å; F477-F481 HydrophobicContact CD2-CE2 4.17Å; F477-F481 HydrophobicContact CE1-CD2 4.3Å; F477-F481 HydrophobicContact CE1-CE2 4.19Å; F477-F481 HydrophobicContact CE2-CD2 4.43Å; F477-F481 AromaticContact CE2-CE2 3.63Å; F477-F481 HydrophobicContact CE2-CE2 3.63Å; F477-F481 HydrophobicContact CZ-CD2 4.19Å; F477-F481 AromaticContact CZ-CE2 3.63Å; F477-F481 HydrophobicContact CZ-CE2 3.63Å; F477-F481 WeakPolarHBondContact O-CD2 3.49Å; W478-F481 PolarHBondContact O-N 3.35Å; K479-F481 PolarHBondContact O-N 2.9Å; F481-Y483 HydrophobicContact CB-CD2 4.28Å; F481-Y483 HydrophobicContact CB-CE2 4.45Å; F481-R501 HydrophobicContact CD1-CG 3.91Å; F481-R501 HydrophobicContact CE1-CG 3.97Å; F481-R502 HydrophobicContact CB-CG 4.1Å; F481-R502 HydrophobicContact CD1-CG 3.79Å; F481-R502 HydrophobicContact CG-CG 4.41Å; F481-R502 PolarHBondContact O-NH1 2.88Å
482G96.4Very high91.9Very high1 Ų164.8 Ų64.81%0.0133%0.33CS..THydrogen-bonded Turntrans93.59.8175.700000114.9W478 K479 L484 P492 S493 Y498W478-G482 PolarHBondContact O-N 3.07Å; K479-G482 PolarHBondContact O-N 2.75Å; G482-L484 VanDerWaalsContact C-N 3.34Å; G482-L484 PolarHBondContact O-N 2.89Å; G482-P492 CarbonylContact O-C 3.57Å; G482-P492 WeakPolarHBondContact O-CA 3.29Å; G482-S493 WeakPolarHBondContact O-CB 3.07Å; G482-S493 PolarHBondContact O-N 3.32Å; G482-Y498 VanDerWaalsContact CA-CG 3.46Å
483Y95.4Very high92.4Very high5 Ų561.3 Ų61.32%0.0231%0.313CS..  trans-79.686.9172.1-69.2-81.8000110.2V385 M386 N387 R388 W478 F481 P492V385-Y483 PolarHBondContact O-OH 2.79Å; M386-Y483 PolarHBondContact O-OH 2.7Å; N387-Y483 VanDerWaalsContact CA-OH 3.26Å; N387-Y483 WeakPolarHBondContact CA-OH 3.39Å; N387-Y483 PolarHBondContact N-OH 3.42Å; R388-Y483 HydrophobicContact CB-CE1 4.14Å; R388-Y483 HydrophobicContact CB-CE2 4.19Å; R388-Y483 VanDerWaalsContact CD-CD1 3.47Å; R388-Y483 HydrophobicContact CG-CD1 3.92Å; R388-Y483 HydrophobicContact CG-CE1 3.51Å; R388-Y483 HydrophobicContact CG-CE2 4.33Å; R388-Y483 HydrophobicContact CG-CG 4.48Å; R388-Y483 PolarHBondContact N-OH 2.7Å; W478-Y483 HydrophobicContact CD2-CD2 4.49Å; W478-Y483 AromaticContact CE3-CD2 3.56Å; W478-Y483 HydrophobicContact CE3-CD2 3.56Å; W478-Y483 AromaticContact CE3-CE2 3.71Å; W478-Y483 HydrophobicContact CE3-CE2 3.71Å; W478-Y483 HydrophobicContact CE3-CG 4.39Å; W478-Y483 HydrophobicContact CZ3-CD2 4.21Å; W478-Y483 AromaticContact CZ3-CE2 3.87Å; W478-Y483 HydrophobicContact CZ3-CE2 3.87Å; W478-Y483 PolarHBondContact O-N 2.92Å; W478-Y483 VanDerWaalsContact O-N 3.14Å; F481-Y483 HydrophobicContact CB-CD2 4.28Å; F481-Y483 HydrophobicContact CB-CE2 4.45Å; Y483-P492 HydrophobicContact CD1-CB 3.98Å; Y483-P492 HydrophobicContact CD2-CB 4.02Å; Y483-P492 HydrophobicContact CE1-CB 3.76Å; Y483-P492 HydrophobicContact CE1-CG 4.02Å; Y483-P492 HydrophobicContact CE2-CB 3.82Å; Y483-P492 HydrophobicContact CE2-CG 4.24Å; Y483-P492 HydrophobicContact CG-CB 4.11Å
484L94.8Very high92.5Very high89 Ų8968 Ų6847%0.46635%0.345SS..  trans-91.8-24.6-176-52.6-177.8000112.4G482 Y498G482-L484 VanDerWaalsContact C-N 3.34Å; G482-L484 PolarHBondContact O-N 2.89Å; L484-Y498 HydrophobicContact CD1-CE2 4.1Å; L484-Y498 HydrophobicContact CD2-CE2 4.47Å
485S91.9Very high92.6Very high45 Ų4570.9 Ų70.932%0.31536%0.358SS..SBendtrans-72.1143.8176.6-176.90000111.9R388 R487 D490R388-S485 PolarHBondContact NH2-O 3.31Å; S485-R487 VanDerWaalsContact C-N 3.26Å; S485-R487 PolarHBondContact OG-N 2.85Å; S485-R487 VanDerWaalsContact OG-N 3.12Å; S485-D490 WeakPolarHBondContact CB-OD2 3.41Å; S485-D490 PolarHBondContact OG-OD2 3.08Å
486A87.6Confident92.6Very high109 Ų10972.8 Ų72.890%0.90137%0.365SS*.SBendtrans-68.8-26.6170.500000112W488A486-W488 PolarHBondContact O-N 3.16Å
487R88.3Confident92.6Very high182 Ų18271.4 Ų71.469%0.68736%0.363SS*.SBendtrans-72.5125177-65.9179.3173.1-170.1-4.4109.5R388 S485 R489 D490R388-R487 PolarHBondContact NH2-O 3.47Å; S485-R487 VanDerWaalsContact C-N 3.26Å; S485-R487 PolarHBondContact OG-N 2.85Å; S485-R487 VanDerWaalsContact OG-N 3.12Å; R487-R489 VanDerWaalsContact C-N 3.27Å; R487-R489 PolarHBondContact O-N 3.44Å; R487-D490 HydrophobicContact CB-CB 4.41Å; R487-D490 WeakPolarHBondContact CB-OD1 3.36Å; R487-D490 PolarHBondContact O-N 3.2Å
488W87.3Confident92.6Very high36 Ų3672 Ų7214%0.13637%0.365CS..THydrogen-bonded Turntrans-62.1-36.3-177-172.5-95.1000112.8R388 M416 R419 W478 A486R388-W488 HydrophobicContact CB-CZ2 4Å; R388-W488 HydrophobicContact CG-CD2 4.25Å; R388-W488 HydrophobicContact CG-CZ2 3.94Å; R388-W488 PolarHBondContact NE-O 2.87Å; R388-W488 PolarHBondContact O-NE1 2.83Å; M416-W488 HydrophobicContact SD-CD2 4.1Å; M416-W488 HydrophobicContact SD-CE3 3.64Å; M416-W488 HydrophobicContact SD-CZ3 3.95Å; R419-W488 HydrophobicContact CB-CH2 3.83Å; R419-W488 HydrophobicContact CB-CZ2 3.38Å; W478-W488 AromaticContact CD1-CH2 3.99Å; W478-W488 HydrophobicContact CD2-CH2 4.38Å; W478-W488 AromaticContact CE2-CH2 3.61Å; W478-W488 AromaticContact CZ2-CH2 3.9Å; W478-W488 HydrophobicContact CZ2-CH2 3.9Å; W478-W488 HydrophobicContact CZ2-CZ2 4.14Å; W478-W488 AromaticContact NE1-CH2 3.35Å; W478-W488 AromaticContact NE1-CZ3 3.87Å; A486-W488 PolarHBondContact O-N 3.16Å
489R84.6Confident92.5Very high157 Ų15772.8 Ų72.859%0.59237%0.372SS*.THydrogen-bonded Turntrans-77.8-17.9-173.9-61.3-176.9-171.9-95.97.6114.2R487R487-R489 VanDerWaalsContact C-N 3.27Å; R487-R489 PolarHBondContact O-N 3.44Å
490D89.3Confident92.3Very high52 Ų5273.5 Ų73.528%0.27837%0.372SS..SBendtrans-64.8141.4-178.9-69.28.2000111.1S485 R487S485-D490 WeakPolarHBondContact CB-OD2 3.41Å; S485-D490 PolarHBondContact OG-OD2 3.08Å; R487-D490 HydrophobicContact CB-CB 4.41Å; R487-D490 WeakPolarHBondContact CB-OD1 3.36Å; R487-D490 PolarHBondContact O-N 3.2Å
491P90.8Very high92.2Very high100 Ų10077.2 Ų77.265%0.64938%0.378SS*.PPolyproline II helixtrans-64.8155.917828.1-35000111.3
492P94Very high92.1Very high16 Ų1678.1 Ų78.110%0.10438%0.382CS..PPolyproline II helixtrans-71.8156.8175.432.6-34.3000110.8G482 Y483 I494G482-P492 CarbonylContact O-C 3.57Å; G482-P492 WeakPolarHBondContact O-CA 3.29Å; Y483-P492 HydrophobicContact CD1-CB 3.98Å; Y483-P492 HydrophobicContact CD2-CB 4.02Å; Y483-P492 HydrophobicContact CE1-CB 3.76Å; Y483-P492 HydrophobicContact CE1-CG 4.02Å; Y483-P492 HydrophobicContact CE2-CB 3.82Å; Y483-P492 HydrophobicContact CE2-CG 4.24Å; Y483-P492 HydrophobicContact CG-CB 4.11Å; P492-I494 PolarHBondContact O-N 2.6Å
493S94.8Very high91.8Very high24 Ų2478.9 Ų78.917%0.16839%0.387CS..PPolyproline II helixtrans-52.6137.5176172.80000112G482 E495 R502G482-S493 WeakPolarHBondContact O-CB 3.07Å; G482-S493 PolarHBondContact O-N 3.32Å; S493-E495 VanDerWaalsContact C-N 3.3Å; S493-E495 WeakPolarHBondContact OG-CG 3.47Å; S493-E495 PolarHBondContact OG-N 3.33Å; S493-R502 PolarHBondContact O-NH1 2.85Å; S493-R502 PolarHBondContact O-NH2 2.77Å
494I92.4Very high91.6Very high162 Ų16281.7 Ų81.783%0.83141%0.407SS*.  trans-82.8-4176.862.6169.3000112.9P492 E496P492-I494 PolarHBondContact O-N 2.6Å; I494-E496 PolarHBondContact O-N 3.05Å
495E93.7Very high91.5Very high88 Ų8878.6 Ų78.641%0.41139%0.392SS..  trans-56.2137.4177.4-70172.3-139.700111.2S493 K497 Y498 A499S493-E495 VanDerWaalsContact C-N 3.3Å; S493-E495 WeakPolarHBondContact OG-CG 3.47Å; S493-E495 PolarHBondContact OG-N 3.33Å; E495-K497 PolarHBondContact O-N 3.13Å; E495-K497 WeakPolarHBondContact OE2-CE 3.46Å; E495-K497 IonicContact OE2-NZ 2.65Å; E495-K497 PolarHBondContact OE2-NZ 3.26Å; E495-Y498 HydrophobicContact CB-CD2 3.98Å; E495-Y498 PolarHBondContact O-N 2.84Å; E495-A499 PolarHBondContact O-N 3.1Å
496E91Very high91.5Very high130 Ų13077.7 Ų77.761%0.60739%0.385SS*.Hα-helixtrans-53.3-37.7-171.9-172.2-179.4-178.300113I494 Y498 A499 R500 Q525I494-E496 PolarHBondContact O-N 3.05Å; E496-Y498 VanDerWaalsContact C-N 3.33Å; E496-Y498 PolarHBondContact O-N 3.23Å; E496-A499 PolarHBondContact O-N 3.18Å; E496-R500 WeakPolarHBondContact O-CB 3.13Å; E496-R500 PolarHBondContact O-N 3.04Å; E496-Q525 PolarHBondContact OE1-NE2 3.15Å
497K93.6Very high91.5Very high111 Ų11175.3 Ų75.348%0.48336%0.361SS..Hα-helixtrans-61-39.5179.373.8-169.3-174.7-145.70112.8E495 R501E495-K497 PolarHBondContact O-N 3.13Å; E495-K497 WeakPolarHBondContact OE2-CE 3.46Å; E495-K497 IonicContact OE2-NZ 2.65Å; E495-K497 PolarHBondContact OE2-NZ 3.26Å; K497-R501 WeakPolarHBondContact O-CB 3.41Å; K497-R501 PolarHBondContact O-N 2.83Å
498Y95.1Very high91.5Very high43 Ų4368.4 Ų68.417%0.16934%0.338CS..Hα-helixtrans-82-41.2179.7-61.6-59.9000111.1K479 G482 L484 E495 E496 R500 R501 R502K479-Y498 WeakPolarHBondContact O-CE1 3.23Å; G482-Y498 VanDerWaalsContact CA-CG 3.46Å; L484-Y498 HydrophobicContact CD1-CE2 4.1Å; L484-Y498 HydrophobicContact CD2-CE2 4.47Å; E495-Y498 HydrophobicContact CB-CD2 3.98Å; E495-Y498 PolarHBondContact O-N 2.84Å; E496-Y498 VanDerWaalsContact C-N 3.33Å; E496-Y498 PolarHBondContact O-N 3.23Å; Y498-R500 VanDerWaalsContact C-N 3.31Å; Y498-R500 PolarHBondContact O-N 3.21Å; Y498-R501 WeakPolarHBondContact O-CB 2.72Å; Y498-R501 PolarHBondContact O-N 2.8Å; Y498-R501 VanDerWaalsContact O-N 3.13Å; Y498-R502 WeakPolarHBondContact O-CG 3.37Å; Y498-R502 PolarHBondContact O-N 2.96Å
499A92.5Very high91.6Very high21 Ų2168 Ų6817%0.17434%0.34CS..Hα-helixtrans-57.5-45.517400000111.4E495 E496 R501 R502 C503 V528E495-A499 PolarHBondContact O-N 3.1Å; E496-A499 PolarHBondContact O-N 3.18Å; A499-R501 PolarHBondContact O-N 2.85Å; A499-R502 PolarHBondContact O-N 2.84Å; A499-C503 VanDerWaalsContact O-CB 3.28Å; A499-C503 WeakPolarHBondContact O-CB 3.45Å; A499-C503 PolarHBondContact O-N 2.87Å; A499-V528 HydrophobicContact CB-CG1 3.94Å
500R92.3Very high92Very high125 Ų12560.8 Ų60.847%0.47231%0.313SS..Hα-helixtrans-60.2-44.9173.5-174179.669.8-171.11111.8E496 Y498 R502 C503 C504 F523E496-R500 WeakPolarHBondContact O-CB 3.13Å; E496-R500 PolarHBondContact O-N 3.04Å; Y498-R500 VanDerWaalsContact C-N 3.31Å; Y498-R500 PolarHBondContact O-N 3.21Å; R500-R502 PolarHBondContact O-N 2.91Å; R500-C503 PolarHBondContact O-N 2.94Å; R500-C504 WeakPolarHBondContact O-CB 3.3Å; R500-C504 PolarHBondContact O-N 3.32Å; R500-C504 PolarHBondContact O-SG 2.88Å; R500-F523 HydrophobicContact CG-CE2 4.5Å; R500-F523 HydrophobicContact CG-CZ 3.84Å
501R94.3Very high92.3Very high125 Ų12558.7 Ų58.747%0.47230%0.302SS..Hα-helixtrans-61.4-42.5179.2178.358.5177.7-168.81.2112.1F481 K497 Y498 A499 C504 S505F481-R501 HydrophobicContact CD1-CG 3.91Å; F481-R501 HydrophobicContact CE1-CG 3.97Å; K497-R501 WeakPolarHBondContact O-CB 3.41Å; K497-R501 PolarHBondContact O-N 2.83Å; Y498-R501 WeakPolarHBondContact O-CB 2.72Å; Y498-R501 PolarHBondContact O-N 2.8Å; Y498-R501 VanDerWaalsContact O-N 3.13Å; A499-R501 PolarHBondContact O-N 2.85Å; R501-C504 PolarHBondContact O-SG 2.81Å; R501-S505 WeakPolarHBondContact O-CB 3.34Å; R501-S505 PolarHBondContact O-N 3.08Å; R501-S505 PolarHBondContact O-OG 3.31Å
502R94.3Very high92.5Very high19 Ų1954 Ų547%0.07227%0.271CS..Hα-helixtrans-65.2-49.9174.5-67.4-171.5-60.6-89.29.2110.8V385 M386 F481 S493 Y498 A499 R500 C504 S505V385-R502 HydrophobicContact CG2-CB 4.49Å; V385-R502 WeakPolarHBondContact O-CD 3.44Å; M386-R502 HydrophobicContact SD-CB 3.67Å; M386-R502 HydrophobicContact SD-CG 4.44Å; F481-R502 HydrophobicContact CB-CG 4.1Å; F481-R502 HydrophobicContact CD1-CG 3.79Å; F481-R502 HydrophobicContact CG-CG 4.41Å; F481-R502 PolarHBondContact O-NH1 2.88Å; S493-R502 PolarHBondContact O-NH1 2.85Å; S493-R502 PolarHBondContact O-NH2 2.77Å; Y498-R502 WeakPolarHBondContact O-CG 3.37Å; Y498-R502 PolarHBondContact O-N 2.96Å; A499-R502 PolarHBondContact O-N 2.84Å; R500-R502 PolarHBondContact O-N 2.91Å; R502-C504 PolarHBondContact O-N 3.39Å; R502-S505 WeakPolarHBondContact O-CB 3.27Å; R502-S505 PolarHBondContact O-N 2.74Å; R502-S505 PolarHBondContact O-OG 2.86Å
503C90.6Very high92.6Very high18 Ų1854.7 Ų54.712%0.12227%0.274CS..Hα-helixtrans-61-38.1-178.1-174.70000113.4A499 R500 S505 F523 V528A499-C503 VanDerWaalsContact O-CB 3.28Å; A499-C503 WeakPolarHBondContact O-CB 3.45Å; A499-C503 PolarHBondContact O-N 2.87Å; R500-C503 PolarHBondContact O-N 2.94Å; C503-S505 VanDerWaalsContact C-N 3.26Å; C503-S505 PolarHBondContact O-N 3.13Å; C503-F523 HydrophobicContact CB-CE2 4.21Å; C503-V528 HydrophobicContact CB-CG2 4.11Å
504C91.4Very high92.6Very high64 Ų6460.7 Ų60.743%0.43230%0.297SS..THydrogen-bonded Turntrans-77.7-9.2176.973.50000114.2R500 R501 R502 F523R500-C504 WeakPolarHBondContact O-CB 3.3Å; R500-C504 PolarHBondContact O-N 3.32Å; R500-C504 PolarHBondContact O-SG 2.88Å; R501-C504 PolarHBondContact O-SG 2.81Å; R502-C504 PolarHBondContact O-N 3.39Å; C504-F523 HydrophobicContact CB-CD2 3.85Å; C504-F523 HydrophobicContact CB-CE2 3.96Å; C504-F523 HydrophobicContact CB-CG 4.18Å; C504-F523 HydrophobicContact CB-CZ 4.38Å
505S91.8Very high92.7Very high23 Ų2354.8 Ų54.816%0.16127%0.27CS..THydrogen-bonded Turntrans-95.5-5.1-176.775.30000114.3H283 R501 R502 C503H283-S505 PolarHBondContact ND1-O 2.88Å; H283-S505 VanDerWaalsContact ND1-O 3.13Å; R501-S505 WeakPolarHBondContact O-CB 3.34Å; R501-S505 PolarHBondContact O-N 3.08Å; R501-S505 PolarHBondContact O-OG 3.31Å; R502-S505 WeakPolarHBondContact O-CB 3.27Å; R502-S505 PolarHBondContact O-N 2.74Å; R502-S505 PolarHBondContact O-OG 2.86Å; C503-S505 VanDerWaalsContact C-N 3.26Å; C503-S505 PolarHBondContact O-N 3.13Å
506V91.3Very high92.7Very high26 Ų2652 Ų5216%0.15826%0.258CS..SBendtrans-130.8154.8179.6-590000109.4H283 V385H283-V506 HydrophobicContact CB-CG1 4.43Å; V385-V506 HydrophobicContact CG2-CG1 4.08Å
507S87.2Confident93Very high59 Ų5948.2 Ų48.241%0.41324%0.239SC..  trans-87.6130.8178.3-64.20000110.5A280 C509A280-S507 PolarHBondContact O-N 2.6Å; S507-C509 PolarHBondContact O-N 3.1Å
508I88.4Confident93Very high37 Ų3743.2 Ų43.219%0.1922%0.218CC..EExtended strand (participates in β ladder)trans-82.3109.7170.6-59.2175.5000107.7L521 L527 V532I508-L521 HydrophobicContact CB-CB 4.27Å; I508-L521 HydrophobicContact CG2-CB 4.29Å; I508-L521 HydrophobicContact CG2-CD1 4.04Å; I508-L521 HydrophobicContact CG2-CG 4.44Å; I508-L521 PolarHBondContact O-N 3.47Å; I508-L527 HydrophobicContact CD1-CB 3.86Å; I508-L527 HydrophobicContact CD1-CD1 3.84Å; I508-L527 HydrophobicContact CD1-CG 4.47Å; I508-V532 HydrophobicContact CG2-CG2 4.13Å
509C91.1Very high93Very high27 Ų2741.2 Ų41.218%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-107.4128.9178.2-620000109.8A280 S507 W518 R519 M556A280-C509 HydrophobicContact CB-CB 4.14Å; A280-C509 WeakPolarHBondContact CB-SG 3.39Å; S507-C509 PolarHBondContact O-N 3.1Å; C509-W518 HydrophobicContact CB-CE3 4.02Å; C509-W518 HydrophobicContact CB-CZ3 4.31Å; C509-R519 WeakPolarHBondContact CA-O 3.49Å; C509-M556 WeakPolarHBondContact SG-CE 3.34Å
510V93Very high93Very high6 Ų642.2 Ų42.24%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-125.6144-179.660.90000109.8W518 R519 L521 V532 W536V510-W518 WeakPolarHBondContact O-CA 3.36Å; V510-R519 HydrophobicContact CG1-CB 4.28Å; V510-R519 PolarHBondContact N-O 2.94Å; V510-R519 PolarHBondContact O-N 3.31Å; V510-L521 HydrophobicContact CG1-CD1 3.99Å; V510-L521 HydrophobicContact CG1-CD2 3.94Å; V510-L521 HydrophobicContact CG1-CG 3.78Å; V510-V532 HydrophobicContact CB-CG1 4.33Å; V510-V532 HydrophobicContact CG2-CB 4.33Å; V510-V532 HydrophobicContact CG2-CG1 3.73Å; V510-W536 HydrophobicContact CB-CD2 4.43Å; V510-W536 HydrophobicContact CB-CE3 4.25Å; V510-W536 HydrophobicContact CG1-CD2 3.72Å; V510-W536 HydrophobicContact CG1-CE3 3.56Å; V510-W536 HydrophobicContact CG1-CH2 3.69Å; V510-W536 HydrophobicContact CG1-CZ2 3.81Å; V510-W536 HydrophobicContact CG1-CZ3 3.56Å; V510-W536 HydrophobicContact CG2-CB 4.12Å; V510-W536 HydrophobicContact CG2-CD2 3.81Å; V510-W536 HydrophobicContact CG2-CE3 3.66Å; V510-W536 HydrophobicContact CG2-CG 4Å; V510-W536 HydrophobicContact CG2-CZ3 4.41Å
511Q94.8Very high92.9Very high9 Ų936.9 Ų36.94%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-90.9127.9172.3-166.5-173.935.900110.6R263 D513 L516 W518R263-Q511 PolarHBondContact O-NE2 2.76Å; Q511-D513 PolarHBondContact O-N 3.5Å; Q511-L516 PolarHBondContact NE2-O 3.02Å; Q511-W518 HydrophobicContact CB-CD2 4.2Å; Q511-W518 HydrophobicContact CB-CE3 4.35Å; Q511-W518 HydrophobicContact CB-CH2 4.02Å; Q511-W518 HydrophobicContact CB-CZ2 3.84Å; Q511-W518 HydrophobicContact CB-CZ3 4.29Å; Q511-W518 HydrophobicContact CG-CZ2 4.24Å
512C95.6Very high92.6Very high0 Ų034 Ų340%019%0.19CC..  trans-64.9125.1171.5175.80000110.8K514 L516 K517 W536 C538C512-K514 PolarHBondContact O-N 3.36Å; C512-L516 VanDerWaalsContact O-CA 3.28Å; C512-L516 WeakPolarHBondContact O-CA 3.43Å; C512-L516 PolarHBondContact O-N 3.04Å; C512-K517 PolarHBondContact N-O 3.24Å; C512-W536 HydrophobicContact CB-CE3 4.44Å; C512-W536 HydrophobicContact CB-CZ3 4.03Å; C512-C538 VanDerWaalsContact CB-SG 3.5Å; C512-C538 PolarHBondContact SG-N 3.11Å
513D94.7Very high92.1Very high31 Ų3137.7 Ų37.717%0.16621%0.207CC..THydrogen-bonded Turntrans-64.9-24.3-176.7-164.557.6000114.3K265 K272 Q511 W536 Q537K265-D513 WeakPolarHBondContact CD-OD1 3.44Å; K265-D513 PolarHBondContact NZ-O 3.39Å; K265-D513 IonicContact NZ-OD1 2.74Å; K265-D513 PolarHBondContact NZ-OD1 2.66Å; K265-D513 IonicContact NZ-OD2 3.25Å; K272-D513 IonicContact NZ-OD1 2.68Å; K272-D513 PolarHBondContact NZ-OD1 2.76Å; Q511-D513 PolarHBondContact O-N 3.5Å; D513-W536 WeakPolarHBondContact CB-O 3.46Å; D513-W536 PolarHBondContact N-O 3.32Å; D513-Q537 HydrophobicContact CB-CG 4.4Å
514K94.6Very high91.7Very high151 Ų15139 Ų3966%0.65722%0.216SC*.THydrogen-bonded Turntrans-89.1-50.4-178.8-176.5-179.2178.4-174.50113.8C512 Q537C512-K514 PolarHBondContact O-N 3.36Å; K514-Q537 HydrophobicContact CB-CG 4.48Å
515C95Very high91.3Very high38 Ų3839.5 Ų39.526%0.25721%0.212SC..THydrogen-bonded Turntrans-107-1.7-172.370.20000114.2K517 C538 C549C515-K517 PolarHBondContact O-N 3.05Å; C515-C538 VanDerWaalsContact SG-SG 3.67Å; C515-C549 HydrophobicContact CB-CB 3.79Å
516L95.2Very high90.8Very high30 Ų3042.1 Ų42.116%0.15723%0.23CC..  trans61.37.8178.4-48.7179.5000115.2T44 R263 K265 Q511 C512T44-L516 HydrophobicContact CG2-CD1 3.92Å; R263-L516 PolarHBondContact NH1-O 3.33Å; K265-L516 HydrophobicContact CD-CD2 3.8Å; K265-L516 HydrophobicContact CG-CD2 3.71Å; Q511-L516 PolarHBondContact NE2-O 3.02Å; C512-L516 VanDerWaalsContact O-CA 3.28Å; C512-L516 WeakPolarHBondContact O-CA 3.43Å; C512-L516 PolarHBondContact O-N 3.04Å
517K95.6Very high90.3Very high50 Ų5042.6 Ų42.622%0.21723%0.232CC..  trans-73143.9172.7-67.5179179.2168.90110.9C512 C515 C549 E550 D551 E553C512-K517 PolarHBondContact N-O 3.24Å; C515-K517 PolarHBondContact O-N 3.05Å; K517-C549 WeakPolarHBondContact CE-O 3.3Å; K517-C549 PolarHBondContact NZ-O 3.49Å; K517-E550 PolarHBondContact NZ-O 2.99Å; K517-D551 WeakPolarHBondContact CD-O 3.24Å; K517-D551 PolarHBondContact NZ-O 3.42Å; K517-E553 VanDerWaalsContact CA-OE2 3.27Å; K517-E553 WeakPolarHBondContact CA-OE2 3.26Å
518W95.2Very high90Very high6 Ų641.1 Ų41.12%0.02322%0.22CC..EExtended strand (participates in β ladder)trans-86.2140.1174.3-72.582.2000111P262 T275 R277 C509 V510 Q511 E553P262-W518 HydrophobicContact CB-CZ2 4.11Å; P262-W518 HydrophobicContact CG-CH2 4.22Å; P262-W518 HydrophobicContact CG-CZ2 3.55Å; P262-W518 PolarHBondContact O-NE1 2.95Å; T275-W518 WeakPolarHBondContact O-CH2 3.36Å; R277-W518 HydrophobicContact CG-CD2 4.19Å; R277-W518 HydrophobicContact CG-CE3 4.29Å; C509-W518 HydrophobicContact CB-CE3 4.02Å; C509-W518 HydrophobicContact CB-CZ3 4.31Å; V510-W518 WeakPolarHBondContact O-CA 3.36Å; Q511-W518 HydrophobicContact CB-CD2 4.2Å; Q511-W518 HydrophobicContact CB-CE3 4.35Å; Q511-W518 HydrophobicContact CB-CH2 4.02Å; Q511-W518 HydrophobicContact CB-CZ2 3.84Å; Q511-W518 HydrophobicContact CB-CZ3 4.29Å; Q511-W518 HydrophobicContact CG-CZ2 4.24Å; W518-E553 HydrophobicContact CB-CG 4.36Å; W518-E553 PolarHBondContact N-OE2 2.82Å; W518-E553 WeakPolarHBondContact O-CG 3.39Å
519R94.7Very high89.5Confident1 Ų143.4 Ų43.40%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-132.4142.3-177.9-60.4-61.6-168-159.9-3.5109.5C509 V510 W536 C538 H546 R548 D551 P552C509-R519 WeakPolarHBondContact CA-O 3.49Å; V510-R519 HydrophobicContact CG1-CB 4.28Å; V510-R519 PolarHBondContact N-O 2.94Å; V510-R519 PolarHBondContact O-N 3.31Å; R519-W536 HydrophobicContact CB-CH2 3.54Å; R519-W536 HydrophobicContact CB-CZ3 3.96Å; R519-W536 HydrophobicContact CG-CH2 3.64Å; R519-W536 HydrophobicContact CG-CZ3 3.84Å; R519-C538 PolarHBondContact NE-SG 2.93Å; R519-H546 PolarHBondContact NH1-ND1 2.85Å; R519-R548 PolarHBondContact NH2-O 2.98Å; R519-D551 PolarHBondContact NH2-O 3.25Å; R519-P552 PolarHBondContact NH1-O 3.24Å
520I92.3Very high89Confident42 Ų4251.2 Ų51.222%0.21528%0.279CS..EExtended strand (participates in β ladder)trans-91.1128.3173.3-55.9179.7000107.9E554 M556I520-E554 PolarHBondContact N-OE1 3.44Å; I520-E554 VanDerWaalsContact N-OE1 3.11Å; I520-M556 HydrophobicContact CD1-CE 3.6Å; I520-M556 HydrophobicContact CD1-CG 4.13Å; I520-M556 HydrophobicContact CD1-SD 4.29Å; I520-M556 HydrophobicContact CG1-CE 3.8Å; I520-M556 HydrophobicContact CG1-SD 4.22Å
521L90.5Very high88.4Confident12 Ų1258 Ų586%0.06332%0.315CS..EExtended strand (participates in β ladder)trans-89.6128.9170.7-61.2-176.7000109.2I508 V510 L527 V532 W536I508-L521 HydrophobicContact CB-CB 4.27Å; I508-L521 HydrophobicContact CG2-CB 4.29Å; I508-L521 HydrophobicContact CG2-CD1 4.04Å; I508-L521 HydrophobicContact CG2-CG 4.44Å; I508-L521 PolarHBondContact O-N 3.47Å; V510-L521 HydrophobicContact CG1-CD1 3.99Å; V510-L521 HydrophobicContact CG1-CD2 3.94Å; V510-L521 HydrophobicContact CG1-CG 3.78Å; L521-L527 HydrophobicContact CB-CD1 4.34Å; L521-L527 HydrophobicContact CD1-CD1 4.17Å; L521-V532 HydrophobicContact CD1-CG1 4.34Å; L521-V532 HydrophobicContact CD1-CG2 3.89Å; L521-W536 HydrophobicContact CD2-CH2 4.42Å; L521-W536 HydrophobicContact CD2-CZ2 3.58Å
522P86.6Confident88Confident65 Ų6558.4 Ų58.442%0.42232%0.318SS..PPolyproline II helixtrans-61144.9169.627.4-33.4000109.4S524 P542P522-S524 PolarHBondContact O-N 3.37Å; P522-P542 HydrophobicContact CG-CB 4.31Å; P522-P542 HydrophobicContact CG-CG 3.47Å; P522-P542 VanDerWaalsContact CG-CG 3.47Å
523F84.4Confident87.7Confident96 Ų9662.1 Ų62.142%0.42134%0.342SS..PPolyproline II helixtrans-55.2130.3178.8171.7-96.5000110.8R500 C503 C504 V528R500-F523 HydrophobicContact CG-CE2 4.5Å; R500-F523 HydrophobicContact CG-CZ 3.84Å; C503-F523 HydrophobicContact CB-CE2 4.21Å; C504-F523 HydrophobicContact CB-CD2 3.85Å; C504-F523 HydrophobicContact CB-CE2 3.96Å; C504-F523 HydrophobicContact CB-CG 4.18Å; C504-F523 HydrophobicContact CB-CZ 4.38Å; F523-V528 HydrophobicContact CE2-CG2 3.87Å; F523-V528 HydrophobicContact CZ-CG2 4.09Å
524S83.2Confident87.3Confident46 Ų4663.1 Ų63.132%0.32235%0.347SS..  trans-135.7137.5172.9176.50000109.4P522 S526 L527P522-S524 PolarHBondContact O-N 3.37Å; S524-S526 PolarHBondContact O-N 3.45Å; S524-S526 VanDerWaalsContact O-N 3.15Å; S524-S526 PolarHBondContact OG-N 2.8Å; S524-S526 PolarHBondContact OG-OG 3.37Å; S524-L527 PolarHBondContact O-N 3.33Å
525Q81.9Confident87.2Confident75 Ų7561 Ų6135%0.3534%0.343SS..G310 helixtrans-57.3-30.3176-168.265.219.300111.7E496 L527 V528E496-Q525 PolarHBondContact OE1-NE2 3.15Å; Q525-L527 PolarHBondContact O-N 2.8Å; Q525-V528 PolarHBondContact O-N 3.49Å
526S82.1Confident87.2Confident77 Ų7760 Ų6054%0.53833%0.334SS..G310 helixtrans-66.7-17.9178.362.50000114.5S524 R530S524-S526 PolarHBondContact O-N 3.45Å; S524-S526 VanDerWaalsContact O-N 3.15Å; S524-S526 PolarHBondContact OG-N 2.8Å; S524-S526 PolarHBondContact OG-OG 3.37Å; S526-R530 WeakPolarHBondContact O-CD 3.23Å
527L81Confident87.2Confident36 Ų3660.6 Ų60.619%0.18834%0.336CS..G310 helixtrans-91.8-11.5179.3-63.9173.8000112.6I508 L521 S524 Q525 G529 R530I508-L527 HydrophobicContact CD1-CB 3.86Å; I508-L527 HydrophobicContact CD1-CD1 3.84Å; I508-L527 HydrophobicContact CD1-CG 4.47Å; L521-L527 HydrophobicContact CB-CD1 4.34Å; L521-L527 HydrophobicContact CD1-CD1 4.17Å; S524-L527 PolarHBondContact O-N 3.33Å; Q525-L527 PolarHBondContact O-N 2.8Å; L527-G529 PolarHBondContact O-N 3.27Å; L527-G529 VanDerWaalsContact O-N 3.12Å; L527-R530 PolarHBondContact O-N 3.19Å; L527-R530 VanDerWaalsContact O-N 3.15Å
528V80.8Confident87.3Confident28 Ų2858.2 Ų58.217%0.1733%0.326CS..THydrogen-bonded Turntrans-66.3116.1-179.6-177.70000109.1A499 C503 F523 Q525 R530A499-V528 HydrophobicContact CB-CG1 3.94Å; C503-V528 HydrophobicContact CB-CG2 4.11Å; F523-V528 HydrophobicContact CE2-CG2 3.87Å; F523-V528 HydrophobicContact CZ-CG2 4.09Å; Q525-V528 PolarHBondContact O-N 3.49Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 PolarHBondContact O-N 3.32Å
529G76.5Confident87.3Confident86 Ų8665.8 Ų65.889%0.88735%0.354SS*.THydrogen-bonded Turntrans73.715.8-179.300000114.6L527L527-G529 PolarHBondContact O-N 3.27Å; L527-G529 VanDerWaalsContact O-N 3.12Å
530R81.8Confident87.3Confident190 Ų19069.3 Ų69.372%0.71737%0.373SS*.  trans-124.3139.3175.6-59.8-166.1-176-159.6-1.8110.9S526 L527 V528S526-R530 WeakPolarHBondContact O-CD 3.23Å; L527-R530 PolarHBondContact O-N 3.19Å; L527-R530 VanDerWaalsContact O-N 3.15Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 PolarHBondContact O-N 3.32Å
531D80.8Confident87.3Confident148 Ų14867.4 Ų67.479%0.79136%0.363SS*.PPolyproline II helixtrans-77.7148.3172.6-64.2-42.7000111.2
532V85.5Confident87.4Confident19 Ų1970.4 Ų70.412%0.11538%0.384CS..PPolyproline II helixtrans-72.9135.5173.1-174.10000108.7Q274 I508 V510 L521 W536Q274-V532 PolarHBondContact NE2-O 3.07Å; I508-V532 HydrophobicContact CG2-CG2 4.13Å; V510-V532 HydrophobicContact CB-CG1 4.33Å; V510-V532 HydrophobicContact CG2-CB 4.33Å; V510-V532 HydrophobicContact CG2-CG1 3.73Å; L521-V532 HydrophobicContact CD1-CG1 4.34Å; L521-V532 HydrophobicContact CD1-CG2 3.89Å; V532-W536 HydrophobicContact CG1-CB 3.86Å; V532-W536 HydrophobicContact CG1-CG 3.79Å
533P89.2Confident87.6Confident77 Ų7770 Ų7050%0.538%0.378SS..PPolyproline II helixtrans-55.7141.3-179.1-26.734.9000113.4N535 W536P533-N535 WeakPolarHBondContact CB-OD1 3.45Å; P533-N535 PolarHBondContact O-N 3.29Å; P533-N535 VanDerWaalsContact O-N 3.13Å; P533-W536 VanDerWaalsContact O-CB 3.29Å; P533-W536 WeakPolarHBondContact O-CB 3.48Å; P533-W536 PolarHBondContact O-N 2.87Å; P533-W536 VanDerWaalsContact O-N 3.08Å
534D87.1Confident87.9Confident52 Ų5272.2 Ų72.228%0.27839%0.389SS..THydrogen-bonded Turntrans-56.3-33.3-177.5-66.6-16.3000113.3K272 Q274K272-D534 HydrophobicContact CB-CB 3.94Å; K272-D534 HydrophobicContact CD-CB 4.09Å; K272-D534 WeakPolarHBondContact CD-O 3.3Å; K272-D534 PolarHBondContact NZ-O 2.84Å; Q274-D534 PolarHBondContact NE2-OD1 3.35Å
535N91.9Very high88.3Confident107 Ų10777.4 Ų77.457%0.57241%0.406SS*.THydrogen-bonded Turntrans-92.415.9-177.368.4-23.1000114P533 Q537P533-N535 WeakPolarHBondContact CB-OD1 3.45Å; P533-N535 PolarHBondContact O-N 3.29Å; P533-N535 VanDerWaalsContact O-N 3.13Å; N535-Q537 PolarHBondContact O-N 3.39Å
536W94.2Very high88.8Confident16 Ų1675.1 Ų75.16%0.06140%0.396CS..  trans-58.9134.2179.9-175.295.8000111.9V510 C512 D513 R519 L521 V532 P533 D540 N541V510-W536 HydrophobicContact CB-CD2 4.43Å; V510-W536 HydrophobicContact CB-CE3 4.25Å; V510-W536 HydrophobicContact CG1-CD2 3.72Å; V510-W536 HydrophobicContact CG1-CE3 3.56Å; V510-W536 HydrophobicContact CG1-CH2 3.69Å; V510-W536 HydrophobicContact CG1-CZ2 3.81Å; V510-W536 HydrophobicContact CG1-CZ3 3.56Å; V510-W536 HydrophobicContact CG2-CB 4.12Å; V510-W536 HydrophobicContact CG2-CD2 3.81Å; V510-W536 HydrophobicContact CG2-CE3 3.66Å; V510-W536 HydrophobicContact CG2-CG 4Å; V510-W536 HydrophobicContact CG2-CZ3 4.41Å; C512-W536 HydrophobicContact CB-CE3 4.44Å; C512-W536 HydrophobicContact CB-CZ3 4.03Å; D513-W536 WeakPolarHBondContact CB-O 3.46Å; D513-W536 PolarHBondContact N-O 3.32Å; R519-W536 HydrophobicContact CB-CH2 3.54Å; R519-W536 HydrophobicContact CB-CZ3 3.96Å; R519-W536 HydrophobicContact CG-CH2 3.64Å; R519-W536 HydrophobicContact CG-CZ3 3.84Å; L521-W536 HydrophobicContact CD2-CH2 4.42Å; L521-W536 HydrophobicContact CD2-CZ2 3.58Å; V532-W536 HydrophobicContact CG1-CB 3.86Å; V532-W536 HydrophobicContact CG1-CG 3.79Å; P533-W536 VanDerWaalsContact O-CB 3.29Å; P533-W536 WeakPolarHBondContact O-CB 3.48Å; P533-W536 PolarHBondContact O-N 2.87Å; P533-W536 VanDerWaalsContact O-N 3.08Å; W536-D540 HydrophobicContact CG-CB 4.48Å; W536-N541 HydrophobicContact CH2-CB 4.02Å; W536-N541 HydrophobicContact CZ2-CB 3.67Å
537Q96.3Very high89.3Confident43 Ų4374.5 Ų74.520%0.20138%0.383CS..  trans-125.1162.6179.5-63.9177.119.100111.4D513 K514 N535 R539 D540D513-Q537 HydrophobicContact CB-CG 4.4Å; K514-Q537 HydrophobicContact CB-CG 4.48Å; N535-Q537 PolarHBondContact O-N 3.39Å; Q537-R539 HydrophobicContact CB-CG 4.13Å; Q537-R539 PolarHBondContact O-N 3.24Å; Q537-D540 PolarHBondContact N-OD2 2.76Å; Q537-D540 WeakPolarHBondContact O-CA 3.48Å; Q537-D540 WeakPolarHBondContact O-CB 3.04Å; Q537-D540 PolarHBondContact O-N 3.01Å
538C96.6Very high90Very high0 Ų079.6 Ų79.60%040%0.4CS..G310 helixtrans-51.5-36.5179-68.10000112.4C512 C515 R519 D540 N541 K547C512-C538 VanDerWaalsContact CB-SG 3.5Å; C512-C538 PolarHBondContact SG-N 3.11Å; C515-C538 VanDerWaalsContact SG-SG 3.67Å; R519-C538 PolarHBondContact NE-SG 2.93Å; C538-D540 PolarHBondContact O-N 2.94Å; C538-D540 VanDerWaalsContact O-N 3.12Å; C538-N541 WeakPolarHBondContact O-CB 3.46Å; C538-N541 PolarHBondContact O-N 2.98Å; C538-K547 CarbonylContact C-O 3.6Å; C538-K547 VanDerWaalsContact C-O 3.28Å; C538-K547 CarbonylContact O-C 3.59Å; C538-K547 VanDerWaalsContact O-CA 3.25Å; C538-K547 WeakPolarHBondContact O-CA 3.47Å
539R95.8Very high90.8Very high166 Ų16679.3 Ų79.363%0.62640%0.399SS*.G310 helixtrans-59.3-24.1178.372.1-177.1-178.9-174.6-4.5114.1Q537 N541 K547Q537-R539 HydrophobicContact CB-CG 4.13Å; Q537-R539 PolarHBondContact O-N 3.24Å; R539-N541 VanDerWaalsContact C-N 3.31Å; R539-K547 WeakPolarHBondContact CA-O 3.45Å; R539-K547 PolarHBondContact N-O 3.18Å; R539-K547 VanDerWaalsContact N-O 3.16Å
540D94.2Very high91.7Very high75 Ų7582 Ų8240%0.40139%0.388SS..G310 helixtrans-87.8-2.5-179.8-48.6-49.1000111.5W536 Q537 C538 P542W536-D540 HydrophobicContact CG-CB 4.48Å; Q537-D540 PolarHBondContact N-OD2 2.76Å; Q537-D540 WeakPolarHBondContact O-CA 3.48Å; Q537-D540 WeakPolarHBondContact O-CB 3.04Å; Q537-D540 PolarHBondContact O-N 3.01Å; C538-D540 PolarHBondContact O-N 2.94Å; C538-D540 VanDerWaalsContact O-N 3.12Å; D540-P542 WeakPolarHBondContact O-CD 3.32Å
541N93.4Very high92.3Very high1 Ų173.8 Ų73.81%0.00536%0.358CS..  trans-67.5124.2174.6-166.4-25.1000109.7W536 C538 R539 D543 K547W536-N541 HydrophobicContact CH2-CB 4.02Å; W536-N541 HydrophobicContact CZ2-CB 3.67Å; C538-N541 WeakPolarHBondContact O-CB 3.46Å; C538-N541 PolarHBondContact O-N 2.98Å; R539-N541 VanDerWaalsContact C-N 3.31Å; N541-D543 PolarHBondContact O-N 3.22Å; N541-D543 WeakPolarHBondContact OD1-CB 3.39Å; N541-D543 PolarHBondContact OD1-N 3.08Å; N541-K547 HydrophobicContact CB-CG 4.48Å; N541-K547 WeakPolarHBondContact O-CE 3.41Å; N541-K547 WeakPolarHBondContact O-CG 3.47Å
542P91.9Very high93Very high76 Ų7671.5 Ų71.549%0.49435%0.352SS..SBendtrans-62-28.2173.625.7-35.9000113P522 D540 H544 K547P522-P542 HydrophobicContact CG-CB 4.31Å; P522-P542 HydrophobicContact CG-CG 3.47Å; P522-P542 VanDerWaalsContact CG-CG 3.47Å; D540-P542 WeakPolarHBondContact O-CD 3.32Å; P542-H544 PolarHBondContact O-N 3.15Å; P542-K547 WeakPolarHBondContact O-CE 3.29Å; P542-K547 PolarHBondContact O-NZ 2.98Å
543D90.4Very high93.4Very high56 Ų5673.1 Ų73.130%0.29936%0.358SS..SBendtrans-74.7117.1175.9-174.1-3.5000112N541 K545 H546 K547N541-D543 PolarHBondContact O-N 3.22Å; N541-D543 WeakPolarHBondContact OD1-CB 3.39Å; N541-D543 PolarHBondContact OD1-N 3.08Å; D543-K545 PolarHBondContact O-N 2.98Å; D543-K545 VanDerWaalsContact O-N 3.16Å; D543-K545 PolarHBondContact OD1-N 3.34Å; D543-H546 PolarHBondContact O-N 3.24Å; D543-H546 IonicContact OD2-CD2 2.96Å; D543-K547 WeakPolarHBondContact O-CG 3.39Å; D543-K547 PolarHBondContact O-N 2.75Å
544H90.9Very high93.5Very high143 Ų14371.5 Ų71.566%0.66234%0.344SS*.G310 helixtrans-60.7-22179.7-71.8-95.3000114.9P542 H546 K547P542-H544 PolarHBondContact O-N 3.15Å; H544-H546 VanDerWaalsContact C-N 3.26Å; H544-H546 PolarHBondContact O-N 2.89Å; H544-K547 PolarHBondContact CD2-NZ 3.01Å; H544-K547 PolarHBondContact CE1-NZ 3.25Å; H544-K547 PolarHBondContact ND1-NZ 3.42Å; H544-K547 PolarHBondContact NE2-NZ 2.91Å
545K91.4Very high93.4Very high154 Ų15475.4 Ų75.467%0.6737%0.365SS*.G310 helixtrans-72.3-20.3178.7-67.6179.7-178.81760113.8D543D543-K545 PolarHBondContact O-N 2.98Å; D543-K545 VanDerWaalsContact O-N 3.16Å; D543-K545 PolarHBondContact OD1-N 3.34Å
546H92.2Very high93Very high28 Ų2872.6 Ų72.613%0.1335%0.349CS..G310 helixtrans-128.722.2-171.9-60.8-61.7000112.6R519 D543 H544 R548 E554R519-H546 PolarHBondContact NH1-ND1 2.85Å; D543-H546 PolarHBondContact O-N 3.24Å; D543-H546 IonicContact OD2-CD2 2.96Å; H544-H546 VanDerWaalsContact C-N 3.26Å; H544-H546 PolarHBondContact O-N 2.89Å; H546-R548 VanDerWaalsContact C-N 3.26Å; H546-R548 PolarHBondContact O-N 3.22Å; H546-E554 VanDerWaalsContact CD2-CD 3.45Å; H546-E554 IonicContact CD2-OE1 3.58Å; H546-E554 PolarHBondContact CD2-OE1 3Å; H546-E554 IonicContact CD2-OE2 2.9Å; H546-E554 WeakPolarHBondContact CE1-CG 3.29Å; H546-E554 IonicContact CG-OE1 3.43Å; H546-E554 WeakPolarHBondContact NE2-CG 3.16Å; H546-E554 IonicContact NE2-OE1 2.98Å; H546-E554 IonicContact NE2-OE2 3.38Å
547K94Very high92.7Very high63 Ų6374.2 Ų74.227%0.27436%0.363SS..  trans-74.1-10.8179.4-88.7179.8-172.6172.60113.9C538 R539 N541 P542 D543 H544C538-K547 CarbonylContact C-O 3.6Å; C538-K547 VanDerWaalsContact C-O 3.28Å; C538-K547 CarbonylContact O-C 3.59Å; C538-K547 VanDerWaalsContact O-CA 3.25Å; C538-K547 WeakPolarHBondContact O-CA 3.47Å; R539-K547 WeakPolarHBondContact CA-O 3.45Å; R539-K547 PolarHBondContact N-O 3.18Å; R539-K547 VanDerWaalsContact N-O 3.16Å; N541-K547 HydrophobicContact CB-CG 4.48Å; N541-K547 WeakPolarHBondContact O-CE 3.41Å; N541-K547 WeakPolarHBondContact O-CG 3.47Å; P542-K547 WeakPolarHBondContact O-CE 3.29Å; P542-K547 PolarHBondContact O-NZ 2.98Å; D543-K547 WeakPolarHBondContact O-CG 3.39Å; D543-K547 PolarHBondContact O-N 2.75Å; H544-K547 PolarHBondContact CD2-NZ 3.01Å; H544-K547 PolarHBondContact CE1-NZ 3.25Å; H544-K547 PolarHBondContact ND1-NZ 3.42Å; H544-K547 PolarHBondContact NE2-NZ 2.91Å
548R96.1Very high92.6Very high143 Ų14372.5 Ų72.554%0.5436%0.355SS..SBendtrans-116.2150.1-176.4-56.9175.3-66.6-112.8-7.2111.6R519 H546 E550 D551R519-R548 PolarHBondContact NH2-O 2.98Å; H546-R548 VanDerWaalsContact C-N 3.26Å; H546-R548 PolarHBondContact O-N 3.22Å; R548-E550 WeakPolarHBondContact CB-OE2 3.43Å; R548-E550 PolarHBondContact O-N 3.35Å; R548-D551 WeakPolarHBondContact CA-OD2 3.34Å; R548-D551 VanDerWaalsContact CB-OD2 3.29Å; R548-D551 WeakPolarHBondContact CB-OD2 3.48Å; R548-D551 IonicContact CZ-OD1 2.81Å; R548-D551 PolarHBondContact N-OD2 3.42Å; R548-D551 IonicContact NE-OD1 2.75Å; R548-D551 PolarHBondContact NE-OD1 3.28Å; R548-D551 VanDerWaalsContact NE-OD1 3.09Å; R548-D551 IonicContact NE-OD2 2.75Å; R548-D551 IonicContact NH2-OD1 3.75Å; R548-D551 PolarHBondContact NH2-OD1 2.88Å; R548-D551 IonicContact NH2-OD2 3.75Å; R548-D551 PolarHBondContact O-N 2.99Å
549C96.4Very high92.5Very high22 Ų2276.8 Ų76.815%0.14938%0.383CS..SBendtrans-70.1-24178.6-73.20000111.5C515 K517C515-C549 HydrophobicContact CB-CB 3.79Å; K517-C549 WeakPolarHBondContact CE-O 3.3Å; K517-C549 PolarHBondContact NZ-O 3.49Å
550E95.7Very high92.5Very high144 Ų14474.6 Ų74.667%0.67338%0.381SS*.SBendtrans-76.2-28-179.1-60.968.8-14500111.4K517 R548K517-E550 PolarHBondContact NZ-O 2.99Å; R548-E550 WeakPolarHBondContact CB-OE2 3.43Å; R548-E550 PolarHBondContact O-N 3.35Å
551D94.9Very high92.5Very high16 Ų1671.4 Ų71.49%0.08637%0.366CS..SBendtrans-56.3137.8-179.8-58.7-36000109.7K517 R519 R548K517-D551 WeakPolarHBondContact CD-O 3.24Å; K517-D551 PolarHBondContact NZ-O 3.42Å; R519-D551 PolarHBondContact NH2-O 3.25Å; R548-D551 WeakPolarHBondContact CA-OD2 3.34Å; R548-D551 VanDerWaalsContact CB-OD2 3.29Å; R548-D551 WeakPolarHBondContact CB-OD2 3.48Å; R548-D551 IonicContact CZ-OD1 2.81Å; R548-D551 PolarHBondContact N-OD2 3.42Å; R548-D551 IonicContact NE-OD1 2.75Å; R548-D551 PolarHBondContact NE-OD1 3.28Å; R548-D551 VanDerWaalsContact NE-OD1 3.09Å; R548-D551 IonicContact NE-OD2 2.75Å; R548-D551 IonicContact NH2-OD1 3.75Å; R548-D551 PolarHBondContact NH2-OD1 2.88Å; R548-D551 IonicContact NH2-OD2 3.75Å; R548-D551 PolarHBondContact O-N 2.99Å
552P94.2Very high92.5Very high101 Ų10176.1 Ų76.166%0.65639%0.394SS*.PPolyproline II helixtrans-61.3150.8179.626-34000110.6R519R519-P552 PolarHBondContact NH1-O 3.24Å
553E94.3Very high92.5Very high52 Ų5274.9 Ų74.924%0.24338%0.383CS..PPolyproline II helixtrans-67.4141.3174.2-174.1165.212600110.6R263 R277 K517 W518R263-E553 IonicContact CZ-OE1 3.48Å; R263-E553 IonicContact CZ-OE2 3.12Å; R263-E553 IonicContact NH1-OE1 3.92Å; R263-E553 IonicContact NH1-OE2 2.7Å; R263-E553 PolarHBondContact NH1-OE2 3.2Å; R263-E553 IonicContact NH2-OE1 2.76Å; R263-E553 PolarHBondContact NH2-OE1 2.76Å; R263-E553 IonicContact NH2-OE2 2.81Å; R263-E553 PolarHBondContact NH2-OE2 2.94Å; R263-E553 VanDerWaalsContact NH2-OE2 3.14Å; R277-E553 IonicContact CZ-OE1 2.6Å; R277-E553 IonicContact NH1-OE1 3.27Å; R277-E553 PolarHBondContact NH1-OE1 3.4Å; R277-E553 IonicContact NH2-OE1 3.86Å; R277-E553 PolarHBondContact NH2-OE1 3.48Å; K517-E553 VanDerWaalsContact CA-OE2 3.27Å; K517-E553 WeakPolarHBondContact CA-OE2 3.26Å; W518-E553 HydrophobicContact CB-CG 4.36Å; W518-E553 PolarHBondContact N-OE2 2.82Å; W518-E553 WeakPolarHBondContact O-CG 3.39Å
554E90.9Very high92.3Very high44 Ų4478.6 Ų78.621%0.20640%0.397CS..PPolyproline II helixtrans-70.5138.9-179.1-66.2169.5-99.700111.2I520 H546 M556I520-E554 PolarHBondContact N-OE1 3.44Å; I520-E554 VanDerWaalsContact N-OE1 3.11Å; H546-E554 VanDerWaalsContact CD2-CD 3.45Å; H546-E554 IonicContact CD2-OE1 3.58Å; H546-E554 PolarHBondContact CD2-OE1 3Å; H546-E554 IonicContact CD2-OE2 2.9Å; H546-E554 WeakPolarHBondContact CE1-CG 3.29Å; H546-E554 IonicContact CG-OE1 3.43Å; H546-E554 WeakPolarHBondContact NE2-CG 3.16Å; H546-E554 IonicContact NE2-OE1 2.98Å; H546-E554 IonicContact NE2-OE2 3.38Å; E554-M556 PolarHBondContact O-N 2.61Å
555D86.3Confident91.2Very high134 Ų13479.8 Ų79.872%0.71740%0.396SS*.PPolyproline II helixtrans-75.4119.5169.9-178.720.6000109.6S557D555-S557 WeakPolarHBondContact OD1-CB 3.43Å; D555-S557 PolarHBondContact OD1-N 2.84Å; D555-S557 PolarHBondContact OD1-OG 3.23Å; D555-S557 PolarHBondContact OD2-OG 3Å
556M83.6Confident89.6Confident47 Ų4780.2 Ų80.223%0.23240%0.398CS..  trans-98.314.6179.8-61.6-155.672.300112.5A280 C509 I520 E554 P558A280-M556 HydrophobicContact CB-CE 3.92Å; C509-M556 WeakPolarHBondContact SG-CE 3.34Å; I520-M556 HydrophobicContact CD1-CE 3.6Å; I520-M556 HydrophobicContact CD1-CG 4.13Å; I520-M556 HydrophobicContact CD1-SD 4.29Å; I520-M556 HydrophobicContact CG1-CE 3.8Å; I520-M556 HydrophobicContact CG1-SD 4.22Å; E554-M556 PolarHBondContact O-N 2.61Å; M556-P558 WeakPolarHBondContact O-CD 3.35Å
557S88Confident87.6Confident51 Ų5185.2 Ų85.236%0.35742%0.424SS..PPolyproline II helixtrans-67.3123.7-173.6790000111.4K287 D555K287-S557 PolarHBondContact NZ-OG 3.45Å; D555-S557 WeakPolarHBondContact OD1-CB 3.43Å; D555-S557 PolarHBondContact OD1-N 2.84Å; D555-S557 PolarHBondContact OD1-OG 3.23Å; D555-S557 PolarHBondContact OD2-OG 3Å
558P93.1Very high86Confident7 Ų786 Ų865%0.04543%0.427CS..PPolyproline II helixtrans-73.9166.6-177.530.5-36000111.3L279 K287 Y380 M556L279-P558 HydrophobicContact CD2-CG 4.05Å; K287-P558 HydrophobicContact CB-CG 3.95Å; K287-P558 HydrophobicContact CD-CG 4.38Å; K287-P558 WeakPolarHBondContact CD-O 3.07Å; K287-P558 WeakPolarHBondContact CE-O 3.23Å; K287-P558 HydrophobicContact CG-CG 4.29Å; Y380-P558 HydrophobicContact CD1-CG 3.69Å; Y380-P558 HydrophobicContact CE1-CG 4.04Å; M556-P558 WeakPolarHBondContact O-CD 3.35Å
559P95.3Very high84.5Confident90 Ų9082.2 Ų82.258%0.58442%0.42SS*.PPolyproline II helixtrans-53.7142173.2-24.834.1000112.1R286 K287R286-P559 WeakPolarHBondContact CA-O 3.15Å; K287-P559 PolarHBondContact N-O 3.38Å
560M95.6Very high83.4Confident120 Ų12088.2 Ų88.259%0.59144%0.444SS*.BIsolated β-bridgetrans-80.4121.2177.8-163.8-175.4-36.800110K287K287-M560 HydrophobicContact CG-CB 4.34Å; K287-M560 HydrophobicContact CG-CG 4.47Å; K287-M560 CarbonylContact O-C 3.46Å; K287-M560 WeakPolarHBondContact O-CA 3.16Å
561G94.1Very high82.6Confident7 Ų788.5 Ų88.57%0.07245%0.445CS..PPolyproline II helixtrans-86.3166.5164.400000111K287 Y288K287-G561 PolarHBondContact O-N 3.22Å; Y288-G561 VanDerWaalsContact CD1-C 3.47Å; Y288-G561 VanDerWaalsContact CE1-C 3.48Å; Y288-G561 VanDerWaalsContact CE1-CA 3.45Å
562V93.3Very high81.7Confident100 Ų10092.8 Ų92.861%0.60647%0.465SS*.  trans-128.7124.6178.2179.20000107.9Q460 K564Q460-V562 WeakPolarHBondContact CG-O 3.17Å; V562-K564 PolarHBondContact O-N 3.45Å; V562-K564 VanDerWaalsContact O-N 3.07Å
563L91.7Very high80.8Confident50 Ų5093 Ų9326%0.26245%0.452SS..  trans-65.2107.7169.6-177.462.2000108.9Q460 R565Q460-L563 HydrophobicContact CB-CD1 3.69Å; Q460-L563 HydrophobicContact CG-CD1 4.22Å; L563-R565 PolarHBondContact O-N 3.01Å
564K86.6Confident80Confident135 Ų13595.4 Ų95.459%0.58746%0.464SS*.  trans-82.395.8172.9-62.4170.4-173.6155.20106.1D464 V562 K566D464-K564 IonicContact OD1-NZ 2.89Å; V562-K564 PolarHBondContact O-N 3.45Å; V562-K564 VanDerWaalsContact O-N 3.07Å; K564-K566 PolarHBondContact O-N 3.5Å
565R67.5Low79.7Confident167 Ų16795.9 Ų95.963%0.6348%0.475SS*.  trans-58104.2169.7-70.2-176.5175.4-175.3-6.4107.7L563 I567L563-R565 PolarHBondContact O-N 3.01Å; R565-I567 HydrophobicContact CB-CG1 4.49Å; R565-I567 PolarHBondContact O-N 3.28Å
566K57.6Low79.4Confident164 Ų16493.5 Ų93.571%0.71346%0.46SS*.  trans-69.193.2159.7-69.9178-1731640104D463 K564 K568D463-K566 IonicContact OD2-NZ 3.64Å; K564-K566 PolarHBondContact O-N 3.5Å; K566-K568 PolarHBondContact O-N 2.92Å
567I50.5Low79.3Confident132 Ų13295.2 Ų95.268%0.67747%0.469SS*.  trans-62.896.3169.8-59.9172.1000104.6R565 T569R565-I567 HydrophobicContact CB-CG1 4.49Å; R565-I567 PolarHBondContact O-N 3.28Å; I567-T569 PolarHBondContact O-N 3.25Å
568K60.5Low79.2Confident79 Ų7998.1 Ų98.134%0.34348%0.477SS..  trans-62.8124.8169.9-69.7-177.4-174.6178.40105.5K566 Q572 R573 E576K566-K568 PolarHBondContact O-N 2.92Å; K568-Q572 HydrophobicContact CB-CB 3.96Å; K568-Q572 HydrophobicContact CG-CB 4.47Å; K568-R573 HydrophobicContact CB-CG 3.75Å; K568-E576 WeakPolarHBondContact CE-OE2 3.45Å; K568-E576 IonicContact NZ-OE1 3.21Å; K568-E576 PolarHBondContact NZ-OE1 3.49Å; K568-E576 VanDerWaalsContact NZ-OE1 3.1Å; K568-E576 IonicContact NZ-OE2 2.69Å; K568-E576 PolarHBondContact NZ-OE2 2.9Å
569T64.6Low78.9Confident64 Ų64105.3 Ų105.339%0.39351%0.508SS..  trans-58.8156.5172.456.40000109.1I567 E571 Q572 R573I567-T569 PolarHBondContact O-N 3.25Å; T569-E571 PolarHBondContact O-N 3.48Å; T569-E571 VanDerWaalsContact O-N 3.1Å; T569-Q572 WeakPolarHBondContact O-CA 3.28Å; T569-Q572 WeakPolarHBondContact O-CB 3.47Å; T569-Q572 PolarHBondContact O-N 2.92Å; T569-Q572 WeakPolarHBondContact OG1-CG 3.34Å; T569-Q572 PolarHBondContact OG1-N 3.46Å; T569-R573 PolarHBondContact O-N 3.39Å
570K74.2Confident78.3Confident148 Ų148106.7 Ų106.764%0.64351%0.506SS*.Hα-helixtrans-50.7-37.1174.9-169.9165.5-178.5148.80111.5R573 Q574 E733K570-R573 PolarHBondContact O-N 2.88Å; K570-Q574 VanDerWaalsContact O-CB 3.26Å; K570-Q574 WeakPolarHBondContact O-CB 3.41Å; K570-Q574 PolarHBondContact O-N 2.86Å; K570-E733 IonicContact NZ-OE1 2.77Å; K570-E733 PolarHBondContact NZ-OE1 3.13Å
571E77.4Confident77.8Confident151 Ų151104.9 Ų104.971%0.70650%0.498SS*.Hα-helixtrans-62.6-42.1173-63.9161.6172.100113.6T569 Q574 A575T569-E571 PolarHBondContact O-N 3.48Å; T569-E571 VanDerWaalsContact O-N 3.1Å; E571-Q574 PolarHBondContact O-N 2.63Å; E571-A575 VanDerWaalsContact O-CB 3.26Å; E571-A575 WeakPolarHBondContact O-CB 3.27Å; E571-A575 PolarHBondContact O-N 3.05Å
572Q76.7Confident77.6Confident106 Ų106112.2 Ų112.250%0.49552%0.524SS..Hα-helixtrans-69-40176.7-77.5177.7-1.700112K568 T569 Q574 E576K568-Q572 HydrophobicContact CB-CB 3.96Å; K568-Q572 HydrophobicContact CG-CB 4.47Å; T569-Q572 WeakPolarHBondContact O-CA 3.28Å; T569-Q572 WeakPolarHBondContact O-CB 3.47Å; T569-Q572 PolarHBondContact O-N 2.92Å; T569-Q572 WeakPolarHBondContact OG1-CG 3.34Å; T569-Q572 PolarHBondContact OG1-N 3.46Å; Q572-Q574 VanDerWaalsContact C-N 3.35Å; Q572-E576 WeakPolarHBondContact O-CB 3.19Å; Q572-E576 PolarHBondContact O-N 3.13Å
573R74.9Confident77.2Confident104 Ų104114.1 Ų114.139%0.39252%0.524SS..Hα-helixtrans-62.3-45.6173.8-67-176.3-177.1-161.5-5.9110.7K568 T569 K570 E576 L577 E736K568-R573 HydrophobicContact CB-CG 3.75Å; T569-R573 PolarHBondContact O-N 3.39Å; K570-R573 PolarHBondContact O-N 2.88Å; R573-E576 PolarHBondContact O-N 2.88Å; R573-L577 WeakPolarHBondContact O-CB 3.27Å; R573-L577 PolarHBondContact O-N 3.34Å; R573-E736 IonicContact CZ-OE1 3.45Å; R573-E736 IonicContact NE-OE1 2.67Å; R573-E736 IonicContact NH1-OE1 3.26Å; R573-E736 PolarHBondContact NH1-OE1 2.95Å; R573-E736 IonicContact NH1-OE2 3.42Å; R573-E736 IonicContact NH2-OE1 3.37Å; R573-E736 PolarHBondContact NH2-OE1 3.11Å
574Q78.3Confident76.7Confident104 Ų104118.8 Ų118.849%0.48654%0.542SS..Hα-helixtrans-65.1-42.7178.7-171.2163.7-2.300112.1K570 E571 Q572 E576 L577 E578K570-Q574 VanDerWaalsContact O-CB 3.26Å; K570-Q574 WeakPolarHBondContact O-CB 3.41Å; K570-Q574 PolarHBondContact O-N 2.86Å; E571-Q574 PolarHBondContact O-N 2.63Å; Q572-Q574 VanDerWaalsContact C-N 3.35Å; Q574-E576 VanDerWaalsContact C-N 3.3Å; Q574-E576 PolarHBondContact O-N 3.27Å; Q574-L577 PolarHBondContact O-N 2.67Å; Q574-E578 WeakPolarHBondContact O-CB 3.47Å; Q574-E578 VanDerWaalsContact O-CG 3.3Å; Q574-E578 WeakPolarHBondContact O-CG 3.48Å; Q574-E578 PolarHBondContact O-N 3.24Å
575A84.7Confident76.6Confident54 Ų54117.4 Ų117.445%0.44654%0.538SS..Hα-helixtrans-64.5-34175.800000112.8E571 K579E571-A575 VanDerWaalsContact O-CB 3.26Å; E571-A575 WeakPolarHBondContact O-CB 3.27Å; E571-A575 PolarHBondContact O-N 3.05Å; A575-K579 VanDerWaalsContact O-CB 3.3Å; A575-K579 WeakPolarHBondContact O-CB 3.35Å; A575-K579 PolarHBondContact O-N 3.39Å
576E79.6Confident77.4Confident84 Ų84113.6 Ų113.639%0.39353%0.527SS..Hα-helixtrans-76.2-37.8177-163.1159.9168.700112K568 Q572 R573 Q574 K579 Q580K568-E576 WeakPolarHBondContact CE-OE2 3.45Å; K568-E576 IonicContact NZ-OE1 3.21Å; K568-E576 PolarHBondContact NZ-OE1 3.49Å; K568-E576 VanDerWaalsContact NZ-OE1 3.1Å; K568-E576 IonicContact NZ-OE2 2.69Å; K568-E576 PolarHBondContact NZ-OE2 2.9Å; Q572-E576 WeakPolarHBondContact O-CB 3.19Å; Q572-E576 PolarHBondContact O-N 3.13Å; R573-E576 PolarHBondContact O-N 2.88Å; Q574-E576 VanDerWaalsContact C-N 3.3Å; Q574-E576 PolarHBondContact O-N 3.27Å; E576-K579 PolarHBondContact O-N 2.88Å; E576-Q580 WeakPolarHBondContact O-CG 3.22Å; E576-Q580 PolarHBondContact O-N 3.15Å
577L81.8Confident78.5Confident82 Ų82111.2 Ų111.243%0.42952%0.518SS..Hα-helixtrans-61.8-47170.2-172.769.3000110.7R573 Q574 K579 Q580 I581R573-L577 WeakPolarHBondContact O-CB 3.27Å; R573-L577 PolarHBondContact O-N 3.34Å; Q574-L577 PolarHBondContact O-N 2.67Å; L577-K579 VanDerWaalsContact C-N 3.29Å; L577-K579 PolarHBondContact O-N 2.9Å; L577-Q580 PolarHBondContact O-N 2.88Å; L577-Q580 VanDerWaalsContact O-N 3.15Å; L577-I581 HydrophobicContact CG-CD1 3.99Å; L577-I581 WeakPolarHBondContact O-CB 3.38Å; L577-I581 VanDerWaalsContact O-CG1 3.27Å; L577-I581 WeakPolarHBondContact O-CG1 3.44Å; L577-I581 PolarHBondContact O-N 3.31Å
578E84.9Confident79.8Confident112 Ų112109.3 Ų109.352%0.52351%0.509SS..Hα-helixtrans-59.8-39.2174-77.5173-171.200111.7Q574 I581 R582Q574-E578 WeakPolarHBondContact O-CB 3.47Å; Q574-E578 VanDerWaalsContact O-CG 3.3Å; Q574-E578 WeakPolarHBondContact O-CG 3.48Å; Q574-E578 PolarHBondContact O-N 3.24Å; E578-I581 PolarHBondContact O-N 2.83Å; E578-R582 VanDerWaalsContact O-CB 3.24Å; E578-R582 WeakPolarHBondContact O-CB 3.28Å; E578-R582 PolarHBondContact O-N 3.05Å
579K87.4Confident80.7Confident159 Ų159111.7 Ų111.769%0.69152%0.521SS*.Hα-helixtrans-67.1-38.4175.4-171179.6179.4-175.80112.1A575 E576 L577 K583A575-K579 VanDerWaalsContact O-CB 3.3Å; A575-K579 WeakPolarHBondContact O-CB 3.35Å; A575-K579 PolarHBondContact O-N 3.39Å; E576-K579 PolarHBondContact O-N 2.88Å; L577-K579 VanDerWaalsContact C-N 3.29Å; L577-K579 PolarHBondContact O-N 2.9Å; K579-K583 WeakPolarHBondContact O-CB 3.49Å; K579-K583 PolarHBondContact O-N 3.31Å
580Q82Confident81.4Confident119 Ų119116 Ų11656%0.55654%0.541SS*.Hα-helixtrans-69.5-42.5175-75-17431.700111.9E576 L577 R582 K583 K584E576-Q580 WeakPolarHBondContact O-CG 3.22Å; E576-Q580 PolarHBondContact O-N 3.15Å; L577-Q580 PolarHBondContact O-N 2.88Å; L577-Q580 VanDerWaalsContact O-N 3.15Å; Q580-R582 VanDerWaalsContact C-N 3.34Å; Q580-K583 PolarHBondContact O-N 3.27Å; Q580-K584 PolarHBondContact O-N 3.03Å
581I86.5Confident81.3Confident82 Ų82115.2 Ų115.242%0.42154%0.543SS..Hα-helixtrans-58.7-48.4173.4-70.3167.5000109.4L577 E578 K583 K584 Q585L577-I581 HydrophobicContact CG-CD1 3.99Å; L577-I581 WeakPolarHBondContact O-CB 3.38Å; L577-I581 VanDerWaalsContact O-CG1 3.27Å; L577-I581 WeakPolarHBondContact O-CG1 3.44Å; L577-I581 PolarHBondContact O-N 3.31Å; E578-I581 PolarHBondContact O-N 2.83Å; I581-K583 PolarHBondContact O-N 3.45Å; I581-K584 PolarHBondContact O-N 3.43Å; I581-Q585 HydrophobicContact CG2-CG 4.27Å; I581-Q585 WeakPolarHBondContact O-CB 3.29Å; I581-Q585 VanDerWaalsContact O-CG 3.27Å; I581-Q585 WeakPolarHBondContact O-CG 3.37Å; I581-Q585 PolarHBondContact O-N 3.2Å
582R88.2Confident80.6Confident161 Ų161114.5 Ų114.561%0.60854%0.539SS*.Hα-helixtrans-62-41.3177.8-174.6177.7168.7172.64.9112.2E578 Q580 Q585 E586E578-R582 VanDerWaalsContact O-CB 3.24Å; E578-R582 WeakPolarHBondContact O-CB 3.28Å; E578-R582 PolarHBondContact O-N 3.05Å; Q580-R582 VanDerWaalsContact C-N 3.34Å; R582-Q585 PolarHBondContact O-N 3.02Å; R582-E586 IonicContact CZ-OE1 3.19Å; R582-E586 IonicContact NE-OE1 2.7Å; R582-E586 PolarHBondContact NE-OE1 2.79Å; R582-E586 IonicContact NH2-OE1 3.96Å; R582-E586 PolarHBondContact NH2-OE1 3.31Å; R582-E586 WeakPolarHBondContact O-CB 3.16Å; R582-E586 WeakPolarHBondContact O-CG 3.37Å; R582-E586 PolarHBondContact O-N 3.34Å
583K85.8Confident79.5Confident139 Ų139116.6 Ų116.660%0.60455%0.554SS**Hα-helixtrans-63.1-44.7176.1-170.7-173.4175.3-164.10111.4K579 Q580 I581 Q585 E586 E587K579-K583 WeakPolarHBondContact O-CB 3.49Å; K579-K583 PolarHBondContact O-N 3.31Å; Q580-K583 PolarHBondContact O-N 3.27Å; I581-K583 PolarHBondContact O-N 3.45Å; K583-Q585 VanDerWaalsContact C-N 3.34Å; K583-E586 PolarHBondContact O-N 2.83Å; K583-E587 WeakPolarHBondContact O-CB 3.24Å; K583-E587 PolarHBondContact O-N 3.24Å
584K82.1Confident78.2Confident148 Ų148116.9 Ų116.964%0.64357%0.569SS**Hα-helixtrans-67-33.7175.4-79.4-160.6174.4-1730112.5Q580 I581 E587 L588Q580-K584 PolarHBondContact O-N 3.03Å; I581-K584 PolarHBondContact O-N 3.43Å; K584-E587 PolarHBondContact O-N 3.49Å; K584-L588 WeakPolarHBondContact O-CB 3.24Å; K584-L588 WeakPolarHBondContact O-CG 3.43Å; K584-L588 PolarHBondContact O-N 2.89Å
585Q82.7Confident76.6Confident106 Ų106119.6 Ų119.650%0.49559%0.587SS.*Hα-helixtrans-66.1-46.4173.5-77.2172.7-21.500111.3I581 R582 K583 E587 L588 E589I581-Q585 HydrophobicContact CG2-CG 4.27Å; I581-Q585 WeakPolarHBondContact O-CB 3.29Å; I581-Q585 VanDerWaalsContact O-CG 3.27Å; I581-Q585 WeakPolarHBondContact O-CG 3.37Å; I581-Q585 PolarHBondContact O-N 3.2Å; R582-Q585 PolarHBondContact O-N 3.02Å; K583-Q585 VanDerWaalsContact C-N 3.34Å; Q585-E587 VanDerWaalsContact C-N 3.28Å; Q585-E587 PolarHBondContact O-N 2.98Å; Q585-L588 PolarHBondContact O-N 3.13Å; Q585-E589 WeakPolarHBondContact O-CG 3.32Å; Q585-E589 PolarHBondContact O-N 3.02Å
586E84.5Confident74.5Confident87 Ų87124 Ų12441%0.40760%0.603SS.*Hα-helixtrans-62.1-36.3174.8-73.9171.5-171.700111.5R582 K583 L590R582-E586 IonicContact CZ-OE1 3.19Å; R582-E586 IonicContact NE-OE1 2.7Å; R582-E586 PolarHBondContact NE-OE1 2.79Å; R582-E586 IonicContact NH2-OE1 3.96Å; R582-E586 PolarHBondContact NH2-OE1 3.31Å; R582-E586 WeakPolarHBondContact O-CB 3.16Å; R582-E586 WeakPolarHBondContact O-CG 3.37Å; R582-E586 PolarHBondContact O-N 3.34Å; K583-E586 PolarHBondContact O-N 2.83Å; E586-L590 PolarHBondContact O-N 3.27Å
587E81.1Confident72.7Confident114 Ų114129.6 Ų129.653%0.53363%0.63SS.*Hα-helixtrans-71.1-35.2175.6-159.8164.2-148.800112.3K583 K584 Q585 I591K583-E587 WeakPolarHBondContact O-CB 3.24Å; K583-E587 PolarHBondContact O-N 3.24Å; K584-E587 PolarHBondContact O-N 3.49Å; Q585-E587 VanDerWaalsContact C-N 3.28Å; Q585-E587 PolarHBondContact O-N 2.98Å; E587-I591 WeakPolarHBondContact O-CD1 3.26Å; E587-I591 VanDerWaalsContact O-CG1 3.29Å; E587-I591 WeakPolarHBondContact O-CG1 3.5Å; E587-I591 PolarHBondContact O-N 3.27Å
588L78.3Confident70.8Confident92 Ų92134.6 Ų134.648%0.48265%0.648SS.*Hα-helixtrans-69.7-40.1172.1-87.2159000112.5K584 Q585 L590 I591 Q592K584-L588 WeakPolarHBondContact O-CB 3.24Å; K584-L588 WeakPolarHBondContact O-CG 3.43Å; K584-L588 PolarHBondContact O-N 2.89Å; Q585-L588 PolarHBondContact O-N 3.13Å; L588-L590 VanDerWaalsContact C-N 3.34Å; L588-I591 PolarHBondContact O-N 3.44Å; L588-I591 VanDerWaalsContact O-N 3.13Å; L588-Q592 WeakPolarHBondContact O-CB 3.37Å; L588-Q592 WeakPolarHBondContact O-CG 3.39Å; L588-Q592 PolarHBondContact O-N 3.47Å
589E79.6Confident68.5Low129 Ų129134 Ų13460%0.60366%0.662SS**Hα-helixtrans-63.8-39.5175.3-76.3176.6-179.700111Q585 I591 Q592Q585-E589 WeakPolarHBondContact O-CG 3.32Å; Q585-E589 PolarHBondContact O-N 3.02Å; E589-I591 PolarHBondContact O-N 2.92Å; E589-Q592 PolarHBondContact O-N 3.1Å; E589-Q592 VanDerWaalsContact O-N 3.16Å
590L77.7Confident66.4Low154 Ų154134.5 Ų134.581%0.80667%0.673SS**Hα-helixtrans-63.3-21.2173.6-112.996.7000114E586 L588E586-L590 PolarHBondContact O-N 3.27Å; L588-L590 VanDerWaalsContact C-N 3.34Å
591I73.3Confident64.4Low132 Ų132136 Ų13668%0.67769%0.685SS**Hα-helixtrans-94.9-19.7178.6-63.7166000111.2E587 L588 E589E587-I591 WeakPolarHBondContact O-CD1 3.26Å; E587-I591 VanDerWaalsContact O-CG1 3.29Å; E587-I591 WeakPolarHBondContact O-CG1 3.5Å; E587-I591 PolarHBondContact O-N 3.27Å; L588-I591 PolarHBondContact O-N 3.44Å; L588-I591 VanDerWaalsContact O-N 3.13Å; E589-I591 PolarHBondContact O-N 2.92Å
592Q62.4Low62.2Low136 Ų136136.9 Ų136.964%0.63670%0.697SS**Hα-helixtrans-98.73.9-173.1-77.2-175.36.100115.9L588 E589 P594L588-Q592 WeakPolarHBondContact O-CB 3.37Å; L588-Q592 WeakPolarHBondContact O-CG 3.39Å; L588-Q592 PolarHBondContact O-N 3.47Å; E589-Q592 PolarHBondContact O-N 3.1Å; E589-Q592 VanDerWaalsContact O-N 3.16Å; Q592-P594 VanDerWaalsContact C-CD 3.42Å; Q592-P594 WeakPolarHBondContact O-CD 3.49Å
593D54.4Low59.9Low150 Ų150134.9 Ų134.980%0.80271%0.708SS**  trans-99.992.4169.9-85.4-27.4000112.1
594P47.6Very low57.7Low110 Ų110132 Ų13271%0.71471%0.711SS**  trans-86.8119.6161.732.9-29.6000110.5Q592Q592-P594 VanDerWaalsContact C-CD 3.42Å; Q592-P594 WeakPolarHBondContact O-CD 3.49Å
595D44Very low55.8Low161 Ų161130.9 Ų130.986%0.86172%0.716SS**  trans26.7111.5157.6-64.1-38.7000119.8
596D40Very low53.7Low146 Ų146131.2 Ų131.278%0.78173%0.726SS**  trans-155.672.9155.1-114.5-22.8000111.2
597E41.9Very low51.7Low203 Ų203138.3 Ų138.395%0.94975%0.749SS**  trans-114.4108159.1-79.1-150.7156.800111.4
598K42.6Very low49.7Very low186 Ų186138.7 Ų138.781%0.80976%0.764SS**  trans-72.4142.5179-70.7172.9178.51660111.3
599A37Very low47.8Very low101 Ų101137.4 Ų137.484%0.83577%0.773SS**  trans-59.8132.2164.900000111.6
600D42.9Very low45.9Very low169 Ų169142.4 Ų142.490%0.90479%0.786SS**  trans-124.6124156.2-111.4-18.9000109.2
601D39.9Very low44.2Very low151 Ų151142 Ų14281%0.80778%0.784SS**  trans-93.2161.9-176.5-167.45.7000109.9
602S40.3Very low42.5Very low99 Ų99141 Ų14169%0.69279%0.789SS**  trans107.7117.2153.175.90000121.2
603S39.3Very low41.3Very low119 Ų119138.2 Ų138.283%0.83280%0.797SS**  trans87.4137.5147.882.80000118.1
604A40Very low40.5Very low80 Ų80137.2 Ų137.266%0.66180%0.802SS**  cis-167.5151.5-17.200000107.6
605T41.2Very low40Very low124 Ų124135.1 Ų135.176%0.76180%0.801SS**  trans82.1118.8141.238.30000123.3
606T40.4Very low39.7Very low112 Ų112133.2 Ų133.269%0.68780%0.799SS**  trans85.5103.4132.741.90000119.6
607R40.8Very low39.6Very low237 Ų237131.9 Ų131.989%0.89480%0.802SS**  91.4141.992.2-90.1-178.7155.1-178.9-6.4111.1
608S40.7Very low39.4Very low121 Ų121126 Ų12685%0.84679%0.788SS**  cis174.5144.9-10.3179.30000105.6
609G37.9Very low39.2Very low66 Ų66125 Ų12568%0.6879%0.791SS**  trans126.395.7158.300000115.5
610R39.7Very low39.1Very low233 Ų233124.8 Ų124.888%0.87978%0.783SS**  57.8127.784.7-106.1-171.7-176.7-168.90.8112.2
611L41.5Very low38.9Very low145 Ų145125.8 Ų125.876%0.75978%0.779SS**  cis-165.5163.640.4-91.1146.7000112.1
612S37.9Very low38.9Very low111 Ų111124 Ų12478%0.77678%0.779SS**  trans-49.7158.4171.951.40000119.7
613G37.5Very low39.3Very low78 Ų78124.3 Ų124.380%0.80478%0.778SS**  trans171.811615500000115.2
614S37.2Very low39.3Very low129 Ų129129.1 Ų129.190%0.90278%0.778SS**  trans-69.4160.8-177.351.60000117
615G36.8Very low39.2Very low67 Ų67134.4 Ų134.469%0.69179%0.786SS**  trans142.597.2143.800000118.7
616S39Very low39Very low120 Ų120137.4 Ų137.484%0.83978%0.784SS**  trans49.7125.4131.452.70000123.9
617S37.2Very low39.2Very low119 Ų119138.2 Ų138.283%0.83279%0.791SS**  90.5128128.3-162.10000122.4
618A37.1Very low39.2Very low80 Ų80133.5 Ų133.566%0.66178%0.778SS**  trans84.7112.9140.600000123.4
619L38.5Very low39.8Very low164 Ų164132.7 Ų132.786%0.85977%0.77SS**  68.2108.9124.3-69.7159.5000123.1
620S36.3Very low40.1Very low96 Ų96135.4 Ų135.467%0.67178%0.776SS**  87.2139.7127.296.30000122.8
621K38.3Very low40.3Very low191 Ų191130.2 Ų130.283%0.8377%0.773SS**  trans96.493154.9-64.1172.5-177.1178.10119.7
622S40.1Very low40.3Very low114 Ų114127.6 Ų127.680%0.79777%0.772SS**  38.5164.6110.2-143.90000121.1
623P47.6Very low40.4Very low105 Ų105130 Ų13068%0.68278%0.775SS**  -133.9172.6-68.941.2-26000112.4
624R39.6Very low40.4Very low220 Ų220131 Ų13183%0.8377%0.769SS**  trans167.8140138.2-103.3173173.5-163.3-1.9116.5
625K37Very low40.5Very low190 Ų190132.4 Ų132.483%0.82677%0.766SS**  114.4138.5129.6-87171.3178.7-171.50119.8
626R38.2Very low40.4Very low188 Ų188137.2 Ų137.271%0.70978%0.775SS**  trans-110.7-179.7-160-153.5-174.7-89.6-145.9-6.8109.7H628R626-H628 WeakPolarHBondContact CD-CD2 3.35Å; R626-H628 VanDerWaalsContact CD-NE2 3.29Å; R626-H628 WeakPolarHBondContact CD-NE2 3.23Å; R626-H628 PolarHBondContact NH1-CE1 3.44Å; R626-H628 PolarHBondContact NH1-NE2 3.03Å
627P45Very low40.4Very low129 Ų129137 Ų13784%0.83877%0.771SS**  -145.6178.3108.129.4-7.7000116.8
628H40.5Very low40.1Very low137 Ų137138.6 Ų138.663%0.63477%0.77SS**  trans-130.9-161.4-160.4-91.4-73.2000110R626R626-H628 WeakPolarHBondContact CD-CD2 3.35Å; R626-H628 VanDerWaalsContact CD-NE2 3.29Å; R626-H628 WeakPolarHBondContact CD-NE2 3.23Å; R626-H628 PolarHBondContact NH1-CE1 3.44Å; R626-H628 PolarHBondContact NH1-NE2 3.03Å
629P53.4Low40.1Very low104 Ų104144 Ų14468%0.67578%0.779SS**  -132.9-157.3-5439.8-19.4000111.2
630P43.9Very low39.8Very low124 Ų124147 Ų14781%0.80578%0.779SS**  -154.7172.47538.8-16.2000118.5
631P42.7Very low39.8Very low124 Ų124147.8 Ų147.881%0.80578%0.784SS**  trans-128.8166171.140.4-25.9000116.7
632A42.8Very low39.7Very low90 Ų90142.8 Ų142.874%0.74478%0.779SS**  trans-168.8116.1158.300000110.6
633I39.5Very low39.5Very low162 Ų162146 Ų14683%0.83178%0.781SS**  71.4110.785.7-60.2170.8000116.4
634S38.8Very low38.8Very low97 Ų97146 Ų14668%0.67878%0.784SS**  152.9128.8115.245.40000116.3
635D38.8Very low38.6Very low160 Ų160140.9 Ų140.986%0.85678%0.781SS**  trans77.2123.5140-54.8-23.3000126.2
636L34.5Very low38.5Very low167 Ų167136.9 Ų136.987%0.87478%0.778SS**  trans-83.5180159.9-80.4126.9000110.6
637P38.2Very low38.4Very low115 Ų115134.6 Ų134.675%0.74779%0.785SS**  cis-145.9176.215.436.3-11.9000118.9
638N32.5Very low38Very low154 Ų154134.1 Ų134.182%0.82478%0.784SS**  trans-5.6131.1156.4-91.3-23000122.1
639K35.2Very low37.8Very low192 Ų192139 Ų13984%0.83580%0.797SS**  173.2132.2116.9-101.8174.4179173.50114.5
640R33.4Very low36.8Very low228 Ų228139.1 Ų139.186%0.8681%0.807SS**  trans35.1126.1143.5-66.4-179.8171.9-166.1-3.3120.5
641S36.1Very low36.4Very low112 Ų112141.3 Ų141.378%0.78381%0.808SS**  155125.6106.1-59.70000113.6
642A35.8Very low36.4Very low87 Ų87141.7 Ų141.772%0.71981%0.808SS**  trans48.4129.3137.200000124.1
643Q36.1Very low36Very low181 Ų181144.4 Ų144.485%0.84682%0.815SS**  trans91106.9133.4-78.9173.9-9.500122.3
644S32.7Very low35.6Very low106 Ų106140.9 Ų140.974%0.74181%0.81SS**  65.5116.3126.965.30000122.7
645S36.1Very low35.7Very low111 Ų111144.1 Ų144.178%0.77682%0.82SS**  172.6106.3129.539.80000108.2
646S34Very low35.5Very low107 Ų107146.7 Ų146.775%0.74882%0.824SS**  69.298.780.771.70000115.8
647T37.1Very low35.5Very low140 Ų140148.8 Ų148.886%0.85983%0.826SS**  trans176137.7149.5360000107.1
648S36.3Very low35.7Very low118 Ų118155 Ų15583%0.82583%0.834SS**  cis-170.7132.9-10.238.30000104.7
649R35Very low36Very low240 Ų240157.1 Ų157.191%0.90684%0.839SS**PPolyproline II helixtrans-101.8127.2-171.8-165.5177.4-179.2-179.10.1109
650A34Very low36.2Very low106 Ų106153.1 Ų153.188%0.87684%0.842SS**PPolyproline II helixtrans-100.5120.4172.600000110.5
651M35Very low36.1Very low170 Ų170145.6 Ų145.684%0.83784%0.835SS**PPolyproline II helixtrans-101146.5174.6-66.9171.264.800109.3
652T42.5Very low36.1Very low132 Ų132148.5 Ų148.581%0.8184%0.841SS**  trans-135116.2166.951.20000113.6
653V33.4Very low36.1Very low147 Ų147150 Ų15089%0.89185%0.847SS**SBendtrans56.460.8138.2-151.10000119.9
654A32.9Very low36.2Very low88 Ų88146.3 Ų146.373%0.72784%0.841SS**SBendtrans-159.879.4149.900000109.1
655D39.2Very low36.5Very low166 Ų166146 Ų14689%0.88884%0.838SS**  trans168.983.3160.8-90.7-34000110.6
656K35.4Very low36.5Very low213 Ų213148.4 Ų148.493%0.92684%0.843SS**  trans-17074.6164.2-122.3173.2-177.3175.60113.7
657K35.2Very low36.6Very low211 Ų211146.7 Ų146.792%0.91784%0.842SS**  trans-170.879.6146-135.1169.7179.8174.70112.8
658R40.9Very low36.7Very low245 Ų245145.7 Ų145.793%0.92584%0.838SS**  trans-141.9138.4153.9-82.3-171.3168.5-144.6-2.2107.6
659Q40.4Very low36.6Very low199 Ų199145.9 Ų145.993%0.9383%0.833SS**  trans86.387.6176.6-54.2-179.54.600117.3
660A38Very low36.7Very low108 Ų108139.6 Ų139.689%0.89383%0.827SS**  trans-162.2109.3135.200000107
661G32.7Very low36.7Very low70 Ų70141.9 Ų141.972%0.72282%0.823SS**  trans-96168.9178.400000112.8
662L36.2Very low36.8Very low173 Ų173139 Ų13991%0.90682%0.819SS**  trans94.5136.7147.7-64.1155.8000119.1
663S36Very low36.6Very low119 Ų119138.2 Ų138.283%0.83282%0.82SS**  trans84.1137.716871.90000117.7
664S37.4Very low36.7Very low103 Ų103139.8 Ų139.872%0.7282%0.817SS**  cis-179.4146.5-27.2178.80000105.8
665S38.8Very low36.8Very low99 Ų99144.5 Ų144.569%0.69282%0.821SS**  trans69.5153.1154.677.80000118.7
666N36.1Very low36.5Very low163 Ų163147.3 Ų147.387%0.87282%0.82SS**  cis-174.1142.7-20.1-100.7-17.8000105.3
667G37Very low36.3Very low70 Ų70143.7 Ų143.772%0.72282%0.815SS**  trans111.3153140.600000120.4
668P39Very low36.1Very low119 Ų119137.2 Ų137.277%0.77381%0.809SS**  -143.9174.8-126.443.4-23.6000118
669V34.7Very low35.5Very low122 Ų122133.6 Ų133.674%0.73981%0.807SS**  trans74.2138.1149.8-157.60000123.2
670S35.8Very low35.1Very low109 Ų109129.8 Ų129.876%0.76280%0.799SS**  trans114.3146.1142.678.20000115.9
671L35.2Very low34.6Very low153 Ų153131.9 Ų131.980%0.80180%0.795SS**  cis-179.1158.6-32.4-117.2146.7000107
672S36.3Very low34.7Very low109 Ų109133.8 Ų133.876%0.76279%0.794SS**  trans82.7141.6165.290.90000116.6
673S37.9Very low34.7Very low117 Ų117131.4 Ų131.482%0.81879%0.787SS**  cis-156.8168.727.3-80.10000113.9
674Q36.7Very low34.4Very low179 Ų179130.3 Ų130.384%0.83678%0.78SS**  trans-86.7160.5-166.8-60.1159.7-25.900116.9
675K34.5Very low34.3Very low187 Ų187133.1 Ų133.181%0.81379%0.787SS**  trans145114.8131.1-87.4177174.9176.10110.9
676R33.3Very low34Very low225 Ų225134.8 Ų134.885%0.84978%0.783SS**  94.1118.775.7-97.8-166.7179.2-165.70.7113.9
677T31.3Very low33.9Very low137 Ų137138.8 Ų138.884%0.8479%0.786SS**  trans73.3125.314258.20000121.9
678G31.1Very low33.6Very low75 Ų75143.2 Ų143.277%0.77379%0.788SS**  trans148.1104.9153.600000114.3
679L26.8Very low33.6Very low169 Ų169143.5 Ų143.589%0.88579%0.79SS**  trans-65.8153.8161.8-83.9103.3000110.4
680P33.4Very low33.4Very low119 Ų119148.5 Ų148.577%0.77380%0.795SS**  -138.2142.2129.728.4-11000114.2
681L27Very low33.3Very low153 Ų153148.9 Ų148.980%0.80180%0.796SS**  trans-64.4150.6152.9-10971.2000109.6
682P35.2Very low33.4Very low109 Ų109147 Ų14771%0.70880%0.795SS**  -140.5122.5125.818.43.2000111.7
683T34.5Very low33.1Very low123 Ų123145.2 Ų145.276%0.75579%0.794SS**  64.1120.891.755.30000116.3
684S31Very low33.1Very low97 Ų97148.2 Ų148.268%0.67880%0.8SS**  trans-33.9138.4160172.50000114.1
685N34.1Very low33Very low162 Ų162145.9 Ų145.987%0.86680%0.797SS**  trans-132.2102.9157.1-95.7-20.8000108.6
686Q33Very low33.1Very low133 Ų133141.9 Ų141.962%0.62179%0.79SS**  trans-64.4134.7157.9-69.3176.7500108.9E848Q686-E848 PolarHBondContact NE2-OE1 2.88Å
687R34.6Very low33.2Very low247 Ų247140.7 Ų140.793%0.93279%0.792SS**  trans-122.3104164.1-113-178.1177.1-1470.1108.2
688Q30.6Very low33.3Very low164 Ų164138 Ų13877%0.76678%0.783SS**PPolyproline II helixtrans-76.2142.8160.8-71.1-174.9-17.300109.7
689P37.6Very low33.6Very low124 Ų124143.1 Ų143.181%0.80579%0.787SS**PPolyproline II helixtrans-85.3144.3148.9-0.320.2000109.8
690R31.1Very low33.9Very low227 Ų227143.4 Ų143.486%0.85778%0.784SS**PPolyproline II helixtrans-70.8150.7-165.8-62162.4175.1-144.6-2.2113.7
691P33.9Very low34Very low118 Ų118148 Ų14877%0.76679%0.786SS**PPolyproline II helixtrans-90.4135.3154.134.3-25.3000109.5
692S36.8Very low34.3Very low114 Ų114147.2 Ų147.280%0.79778%0.782SS**  trans-145.298166.9-66.90000108
693G31.7Very low34.2Very low71 Ų71146.6 Ų146.673%0.73278%0.781SS**  trans-80.6141.7168.600000110.9
694L37.1Very low34.3Very low179 Ų179146.2 Ų146.294%0.93778%0.778SS**  trans-142.8109.7150.6-85.6170.5000107.8
695V33.3Very low34.4Very low130 Ų130147.8 Ų147.879%0.78878%0.784SS**  trans-79172.6166.11720000107.3
696P37.2Very low34.5Very low103 Ų103145.6 Ų145.667%0.66978%0.778SS**  cis-140-177.5-119.97.3000116.9
697K34.8Very low34.6Very low201 Ų201149.5 Ų149.587%0.87479%0.793SS**  trans107.2143142.6-68.3-173.5175.9171.60114.5
698A33.6Very low34.5Very low80 Ų80141.4 Ų141.466%0.66179%0.786SS**  cis179.7159.5-16.900000105.9
699Q37.6Very low34.6Very low182 Ų182144.2 Ų144.285%0.8579%0.79SS**  trans104.699.1163.9-62.2173.6-22.200114.1
700Q33.9Very low34.2Very low176 Ų176146.4 Ų146.482%0.82279%0.787SS**  71108.864.8-76.2-169.4-17.200114.6
701R34.7Very low34.1Very low215 Ų215141 Ų14181%0.81178%0.779SS**  150.7111.2123-89.3172.9155.2-169.4-8.5110.9
702N33.6Very low34.1Very low137 Ų137141.5 Ų141.573%0.73378%0.78SS**  85.410989.5-78.312.5000112.5
703S32.6Very low33.6Very low96 Ų96143 Ų14367%0.67178%0.784SS**  78.3129.5107.175.90000112.7
704T36.7Very low33.6Very low115 Ų115143.7 Ų143.771%0.70678%0.783SS**  173.6121.251.30.80000108.5
705T33.9Very low33.3Very low129 Ų129144.3 Ų144.379%0.79178%0.781SS**  57.1152.9126.554.70000124
706P37Very low33.3Very low116 Ų116143.5 Ų143.575%0.75378%0.782SS**  trans-122.5177.3-139.942-27.7000115.5
707K35.2Very low33.1Very low216 Ų216146.7 Ų146.794%0.93979%0.788SS**  trans173.1131.5158.2-95.9161.9-171.7-1770106.6
708G32.4Very low32.9Very low76 Ų76142.5 Ų142.578%0.78478%0.783SS**  cis165.6157.50.700000107.9
709R31.6Very low32.9Very low224 Ų224143.5 Ų143.585%0.84579%0.786SS**  trans93.1114.5152.8-152.9172.5-172.3-174.23.3118.9
710K29.4Very low32.6Very low169 Ų169143.7 Ų143.774%0.73579%0.787SS**  111.2121.4128-112.3-174.1179-172.60118.1
711V29.1Very low32.6Very low115 Ų115143.8 Ų143.870%0.69779%0.787SS**  trans111.6136.2136.6179.90000116.9
712T33.2Very low32.7Very low127 Ų127140.7 Ų140.778%0.77978%0.782SS**  trans77.4106.216044.30000120.3
713T26.6Very low32.6Very low146 Ų146143.3 Ų143.390%0.89679%0.79SS**  trans-53.1122.7152.841.40000111.4
714A32.7Very low32.6Very low86 Ų86144.4 Ų144.471%0.71179%0.792SS**  trans-144115.9160.500000107S716A714-S716 PolarHBondContact O-N 2.9Å
715E30.6Very low32.4Very low191 Ų191142.8 Ų142.889%0.89379%0.786SS**  trans-63.1122170.5-69.7170.2147.600107.7
716S32.3Very low32.5Very low114 Ų114143.5 Ų143.580%0.79779%0.785SS**  trans-106.7110.4179.210.30000108A714 S718A714-S716 PolarHBondContact O-N 2.9Å; S716-S718 PolarHBondContact O-N 2.98Å
717E33.1Very low32.6Very low170 Ų170144.5 Ų144.579%0.79478%0.784SS**  trans-54.5127.5164-66.1179.3137.200109.4S719E717-S719 PolarHBondContact O-N 2.79Å; E717-S719 VanDerWaalsContact O-N 3.1Å
718S31Very low33.1Very low112 Ų112137.7 Ų137.778%0.78376%0.758SS**  trans-72.1100.6174.253.60000109.7S716 E720S716-S718 PolarHBondContact O-N 2.98Å; S718-E720 PolarHBondContact O-N 3.18Å
719S33.4Very low33.6Very low102 Ų102140.6 Ų140.671%0.71375%0.751SS**  trans-66.9111.9161.6490000109.3E717 E721E717-S719 PolarHBondContact O-N 2.79Å; E717-S719 VanDerWaalsContact O-N 3.1Å; S719-E721 PolarHBondContact O-N 3.22Å
720E32.7Very low34Very low186 Ų186138 Ų13887%0.86975%0.749SS**  trans-68.3107.5167.7-68-175160.200108.7S718 E722S718-E720 PolarHBondContact O-N 3.18Å; E720-E722 PolarHBondContact O-N 2.86Å
721E32.1Very low34.5Very low178 Ų178135.3 Ų135.383%0.83274%0.738SS**  trans-69.3109.7166.6-67.4-178.316500108.3S719 E723S719-E721 PolarHBondContact O-N 3.22Å; E721-E723 PolarHBondContact O-N 3.13Å; E721-E723 VanDerWaalsContact O-N 3.14Å
722E37Very low35.1Very low150 Ų150134.2 Ų134.270%0.70173%0.729SS**  trans-68.3104.6168.3-74-163.8157.500108.8E720 T724E720-E722 PolarHBondContact O-N 2.86Å; E722-T724 PolarHBondContact O-N 2.91Å
723E31.8Very low35.3Very low191 Ų191133.6 Ų133.689%0.89372%0.717SS**  trans-61.5103.2160.5-73.9-171.5168.300108.7E721 S725E721-E723 PolarHBondContact O-N 3.13Å; E721-E723 VanDerWaalsContact O-N 3.14Å; E723-S725 PolarHBondContact O-N 3.36Å
724T33.4Very low35.8Very low119 Ų119133.6 Ų133.673%0.7371%0.707SS**  trans-70.1104.4167.549.20000108.6E722E722-T724 PolarHBondContact O-N 2.91Å
725S31.9Very low36.2Very low81 Ų81134.4 Ų134.457%0.56670%0.696SS**  trans-71.4123.2167.256.20000109.9E723 D727E723-S725 PolarHBondContact O-N 3.36Å; S725-D727 PolarHBondContact O-N 2.97Å
726D36.7Very low36.7Very low145 Ų145128.8 Ų128.878%0.77567%0.67SS**G310 helixtrans-64.317.6178.7-72.3-38000115.4D728D726-D728 VanDerWaalsContact C-N 3.28Å; D726-D728 PolarHBondContact O-N 3.26Å
727D39.4Very low36.8Very low137 Ų137128.2 Ų128.273%0.73366%0.658SS**G310 helixtrans-80.4-4.1-178.8-79.8-27.8000113.7S725S725-D727 PolarHBondContact O-N 2.97Å
728D44.2Very low37.1Very low73 Ų73127.5 Ų127.539%0.3965%0.654SS.*G310 helixtrans-83.1-14.6-174.5-84.4-11.1000113.9D726D726-D728 VanDerWaalsContact C-N 3.28Å; D726-D728 PolarHBondContact O-N 3.26Å
729E44.5Very low37.6Very low136 Ų136125.7 Ų125.764%0.63664%0.638SS**Hα-helixtrans-77.4-25.3-177.1-69-164.3163.600114.2
730E38Very low37.8Very low171 Ų171125.1 Ų125.180%0.79964%0.635SS**Hα-helixtrans-75.1-28.2179.7-74.2-165.5165.100112.8
731E41.3Very low38Very low111 Ų111122.1 Ų122.152%0.51962%0.619SS.*Hα-helixtrans-74.7-31.2178.9-70.5-167.2170.500112.3E734 E735E731-E734 PolarHBondContact O-N 2.92Å; E731-E735 PolarHBondContact O-N 3.49Å
732D40.8Very low38.2Very low92 Ų92118.1 Ų118.149%0.49261%0.61SS.*Hα-helixtrans-72.5-32.8-179.5-82.7-18.9000113.1E735 E736D732-E735 PolarHBondContact O-N 2.74Å; D732-E736 PolarHBondContact O-N 2.96Å
733E37.3Very low38.1Very low114 Ų114116.1 Ų116.153%0.53361%0.608SS.*Hα-helixtrans-72.7-27.8175.8-72.8-151.5157.600112.7K570K570-E733 IonicContact NZ-OE1 2.77Å; K570-E733 PolarHBondContact NZ-OE1 3.13Å
734E37.7Very low38Very low147 Ų147112.8 Ų112.869%0.68761%0.606SS**Hα-helixtrans-72.9-35.5172.9-70.5-162.2159.700111.9E731 E736 N737 E738E731-E734 PolarHBondContact O-N 2.92Å; E734-E736 PolarHBondContact O-N 3.43Å; E734-N737 PolarHBondContact O-N 3.12Å; E734-E738 PolarHBondContact O-N 3.05Å
735E41.6Very low38Very low103 Ų103116.4 Ų116.448%0.48161%0.607SS.*Hα-helixtrans-65.4-34.5176.9-76-148.9156.200113.3E731 D732 T739E731-E735 PolarHBondContact O-N 3.49Å; D732-E735 PolarHBondContact O-N 2.74Å; E735-T739 PolarHBondContact O-N 2.82Å; E735-T739 PolarHBondContact O-OG1 3.03Å
736E40.7Very low38Very low73 Ų73120.9 Ų120.934%0.34162%0.624SS.*Hα-helixtrans-70.9-33.4177.5-68.7-158.6140.400113R573 D732 E734 S740R573-E736 IonicContact CZ-OE1 3.45Å; R573-E736 IonicContact NE-OE1 2.67Å; R573-E736 IonicContact NH1-OE1 3.26Å; R573-E736 PolarHBondContact NH1-OE1 2.95Å; R573-E736 IonicContact NH1-OE2 3.42Å; R573-E736 IonicContact NH2-OE1 3.37Å; R573-E736 PolarHBondContact NH2-OE1 3.11Å; D732-E736 PolarHBondContact O-N 2.96Å; E734-E736 PolarHBondContact O-N 3.43Å; E736-S740 PolarHBondContact O-N 3.33Å; E736-S740 PolarHBondContact O-OG 2.82Å
737N35Very low38Very low101 Ų101122.9 Ų122.954%0.5463%0.626SS.*Hα-helixtrans-79.1-28.3-178.4-94-49000113.5E734E734-N737 PolarHBondContact O-N 3.12Å
738E39.6Very low37.5Very low156 Ų156125.4 Ų125.473%0.72963%0.634SS**Hα-helixtrans-84.6-33.4176.1-74.5-147.9139.700113.5E734 S740 K741 S742E734-E738 PolarHBondContact O-N 3.05Å; E738-S740 VanDerWaalsContact C-N 3.28Å; E738-S740 PolarHBondContact O-N 3.27Å; E738-K741 PolarHBondContact O-N 3.36Å; E738-S742 PolarHBondContact O-N 3.02Å; E738-S742 PolarHBondContact O-OG 2.78Å; E738-S742 VanDerWaalsContact O-OG 3.13Å
739T40.5Very low37Very low73 Ų73129.3 Ų129.345%0.44865%0.653SS.*Hα-helixtrans-70.8-24.1176.2400000113.2E735 S742E735-T739 PolarHBondContact O-N 2.82Å; E735-T739 PolarHBondContact O-OG1 3.03Å; T739-S742 PolarHBondContact O-OG 2.84Å
740S38.6Very low36.4Very low91 Ų91129 Ų12964%0.63666%0.66SS**THydrogen-bonded Turntrans-83.3-17.6174.6-53.80000114E736 E738E736-S740 PolarHBondContact O-N 3.33Å; E736-S740 PolarHBondContact O-OG 2.82Å; E738-S740 VanDerWaalsContact C-N 3.28Å; E738-S740 PolarHBondContact O-N 3.27Å
741K36.5Very low36.2Very low122 Ų122125.9 Ų125.953%0.5366%0.658SS.*THydrogen-bonded Turntrans-99.2-9.5-179.3-88.4172.7-176.3154.50114.8E738 T743E738-K741 PolarHBondContact O-N 3.36Å; K741-T743 VanDerWaalsContact C-N 3.34Å; K741-T743 PolarHBondContact O-N 3.32Å
742S35.5Very low35.8Very low94 Ų94126 Ų12666%0.65767%0.67SS**SBendtrans-87.54-175.746.70000114.9E738 T739E738-S742 PolarHBondContact O-N 3.02Å; E738-S742 PolarHBondContact O-OG 2.78Å; E738-S742 VanDerWaalsContact O-OG 3.13Å; T739-S742 PolarHBondContact O-OG 2.84Å
743T34.3Very low35.5Very low108 Ų108128.7 Ų128.766%0.66368%0.684SS**SBendtrans-123.9126.5162.340.10000108.7K741K741-T743 VanDerWaalsContact C-N 3.34Å; K741-T743 PolarHBondContact O-N 3.32Å
744S30.4Very low35.3Very low121 Ų121129.3 Ų129.385%0.84670%0.698SS**SBendtrans79.756.9178.876.70000119.2
745R32.9Very low35.1Very low195 Ų195130.8 Ų130.874%0.73670%0.702SS**  trans-134.672.3152.3-87.8-173.9174.9-179.1-2.9112.1
746N31.7Very low34.6Very low176 Ų176132.8 Ų132.894%0.94172%0.721SS**  trans-87.990.3151.8-104-7.8000106.9
747K36.6Very low34.2Very low186 Ų186135.9 Ų135.981%0.80974%0.74SS**  trans-112.1113.2168-115.5178.5-180-179.70108.2I749K747-I749 PolarHBondContact O-N 3.48Å
748Q30.3Very low34.1Very low191 Ų191139.3 Ų139.389%0.89376%0.758SS**  trans-51.5114.4165.9-72.8166.4-42.800109.3
749I34.1Very low33.6Very low155 Ų155137.1 Ų137.180%0.79576%0.76SS**  trans-136110.1153.8-60.4-177.1000106.7K747K747-I749 PolarHBondContact O-N 3.48Å
750T30.3Very low33.2Very low128 Ų128141.9 Ų141.979%0.78578%0.781SS**  trans-96.1128177.746.70000109.5
751S34.1Very low32.6Very low107 Ų107142.5 Ų142.575%0.74879%0.785SS**  trans164.3142.6153.9430000108.2
752S34.5Very low32.3Very low112 Ų112143.6 Ų143.678%0.78380%0.802SS**  cis-173.7130.9-22.337.10000104.3
753L32.6Very low32.1Very low149 Ų149145.4 Ų145.478%0.7881%0.809SS**  trans-72.3171.3178.5-75.4143000112.2
754P33.8Very low31.9Very low127 Ų127148.8 Ų148.883%0.82582%0.815SS**  -145.4148.110033-14.8000116.6
755K33.3Very low32Very low178 Ų178150.9 Ų150.977%0.77482%0.815SS**  trans-84.1149.3168.9-70.6175174.6176.60111.1
756V32Very low31.7Very low146 Ų146148 Ų14889%0.88581%0.814SS**  trans-112.2123.1160.5176.10000108.5
757N31.4Very low31.8Very low137 Ų137146 Ų14673%0.73381%0.809SS**  trans-81.1147.4173.1-76-21.9000110.5
758N33.2Very low31.5Very low174 Ų174141.7 Ų141.793%0.9380%0.802SS**  trans-135.2121.4145.7-105.7-7.4000108.2
759S29.5Very low31.8Very low109 Ų109141.6 Ų141.676%0.76280%0.801SS**  trans-100.7134-174.646.80000111
760I31.2Very low31.5Very low174 Ų174140.3 Ų140.389%0.89280%0.801SS**  trans-135.7127.2151.6-64-177.5000107.9
761S25.6Very low31.9Very low104 Ų104139.9 Ų139.973%0.72780%0.8SS**  trans-92.7140.9-173.744.70000112.7
762V31.1Very low31.9Very low145 Ų145142.8 Ų142.888%0.87980%0.802SS**  trans-143.7144.2147.8-174.80000109.7
763T31.6Very low32Very low132 Ų132146.1 Ų146.181%0.8180%0.802SS**  trans-88.1151.2-148.8-34.50000114.9
764K28.8Very low32.1Very low179 Ų179146.6 Ų146.678%0.77881%0.805SS**  trans-74.6147.4167.5-77.1178.3174.8176.30111.9
765I32.5Very low32Very low164 Ų164148 Ų14884%0.84181%0.805SS**  trans-125119149.4-62178.5000107.6
766N28Very low32.2Very low135 Ų135145.2 Ų145.272%0.72281%0.806SS**  trans-93.6139.4168.3-87.6-7.2000108.3
767T33.6Very low32.1Very low135 Ų135147.3 Ų147.383%0.82880%0.803SS**  trans-149.3116.5140.6-17.70000110.9
768S29.9Very low32.3Very low95 Ų95147.7 Ų147.766%0.66481%0.81SS**  trans-75.4149.2168.3420000112.2
769Q35.8Very low32.3Very low189 Ų189145 Ų14588%0.88380%0.8SS**  174.6123.2129.1-92.9165.542.100112
770T28.7Very low32.7Very low128 Ų128147.3 Ų147.379%0.78580%0.804SS**  trans-61.3170160.238.70000111.9
771P37.8Very low33Very low119 Ų119147.2 Ų147.277%0.77380%0.8SS**  cis-156.7-179.844.939.1-13.2000120.1
772E34.4Very low33.7Very low167 Ų167149.7 Ų149.778%0.7880%0.804SS**  trans-19.1145.4167.9-52.2175.1143.900122.4
773K37.4Very low34.1Very low182 Ų182149.9 Ų149.979%0.79180%0.8SS**  159.4125.9111.8-87.5177.3-177.5175.30115
774N34.6Very low34.4Very low159 Ų159146.7 Ų146.785%0.8579%0.793SS**  trans33.9128.8141.4-64.4-23.1000125
775L32.1Very low34.9Very low156 Ų156147.3 Ų147.382%0.81780%0.796SS**  trans1.4152.3144.4-121.672.1000120.3
776P36.8Very low35Very low121 Ų121149.7 Ų149.779%0.78680%0.795SS**  -150173.171.435.2-12.8000117.4
777K30.7Very low35.5Very low190 Ų190148.4 Ų148.483%0.82679%0.792SS**  trans-75.4148.5168.6-68.1172.7172.9177.50111.7
778T34.7Very low35.6Very low145 Ų145147.5 Ų147.589%0.8979%0.786SS**  trans-165.9149.2139.624.40000111.8
779T33.8Very low35.9Very low118 Ų118149.8 Ų149.872%0.72479%0.791SS**  trans-83.6161.5-17642.20000114.3
780D38Very low35.9Very low156 Ų156149.1 Ų149.183%0.83479%0.785SS**  trans-174105.6142-86.9-22.8000106.9
781E37.7Very low36.3Very low172 Ų172149.7 Ų149.780%0.80478%0.783SS**  70.4132.177.2-78.5-148.9146.200117.1
782L40.4Very low36.3Very low157 Ų157153.1 Ų153.182%0.82279%0.786SS**  trans124.7135.1150.9-66.1165.9000114
783N38.4Very low36.4Very low148 Ų148150.8 Ų150.879%0.79179%0.788SS**  cis-175.3155.8-25.2-156.8-3000107.3
784G39.1Very low36.2Very low65 Ų65148.3 Ų148.367%0.6779%0.791SS**  trans109.183.2155.400000117.6
785K37.8Very low36.3Very low192 Ų192145.2 Ų145.284%0.83579%0.787SS**  67.7122.184.7-90.4179.2178.8168.80118.2
786R36.1Very low36.5Very low215 Ų215146.1 Ų146.181%0.81179%0.787SS**  110105.3129.4-90.4-175.2170.7178.8-3.5121
787T37.1Very low36.3Very low107 Ų107148.7 Ų148.766%0.65679%0.794SS**  77.9115.7121.354.80000123.3
788T36.7Very low36.4Very low117 Ų117144 Ų14472%0.71879%0.785SS**  77.1120.4127.960.60000122.2
789N36.4Very low36.4Very low143 Ų143144 Ų14477%0.76579%0.785SS**  trans117.5112.2131.2-78.4-17.6000118.8
790K36Very low36.4Very low174 Ų174143 Ų14376%0.75778%0.779SS**  trans71.4123.2134.9-75.3-172.8175.6-1780121.1
791D36.3Very low36.2Very low140 Ų140144.2 Ų144.275%0.74978%0.781SS**  trans99.7125.5137.6-66.1-19.6000120.1
792K37.5Very low35.9Very low191 Ų191143.5 Ų143.583%0.8378%0.778SS**  trans95.3104.5153.1-69171-179.2179.80120.1
793S36.1Very low35.6Very low119 Ų119145.6 Ų145.683%0.83278%0.783SS**  trans81.7146.4134.5-56.90000120.1
794P34.8Very low35.3Very low130 Ų130150 Ų15084%0.84479%0.789SS**  trans-102.2147.7-155.637.4-28.1000113.4
795A36Very low34.9Very low93 Ų93154.2 Ų154.277%0.76980%0.796SS**  trans-138126.7171.100000111.2
796H35.4Very low34.6Very low175 Ų175156.3 Ų156.381%0.8180%0.798SS**  trans30.5116.7143.3-80.6-91.3000119.9
797D33.8Very low34.5Very low175 Ų175151 Ų15194%0.93679%0.79SS**  trans-115.8107.2146.7-97.7-29.8000109.3
798S33.1Very low34.2Very low92 Ų92151.1 Ų151.164%0.64380%0.795SS**  trans-99.3114.7170.154.30000109T800S798-T800 PolarHBondContact O-N 2.55Å
799V34.5Very low34Very low145 Ų145153.6 Ų153.688%0.87980%0.802SS**  trans-83.3110.9166.4176.70000108.4
800T32.2Very low33.8Very low97 Ų97149.9 Ų149.960%0.59580%0.797SS**  trans-76127.4175.8-42.50000110.5S798S798-T800 PolarHBondContact O-N 2.55Å
801M33.7Very low34Very low181 Ų181147.8 Ų147.889%0.89280%0.801SS**  trans-121.4113.5156.1-86-74.9-86.100108.3
802H31.8Very low33.9Very low157 Ų157148.1 Ų148.173%0.72780%0.803SS**  trans-67.4131.9178.3-69.6-58.1000112
803H33.9Very low33.7Very low202 Ų202146.4 Ų146.494%0.93580%0.803SS**  trans-146131.6135.2-105-66.3000111
804R32.2Very low33.5Very low241 Ų241144.4 Ų144.491%0.90980%0.801SS**  trans-81.5143.2-161.7-77.9171.4163.9155.2-5.9114.6
805N30.7Very low33.2Very low153 Ų153146.2 Ų146.282%0.81880%0.804SS**  trans-27.2148.6157.1-68.1-19.4000119.3
806R31.8Very low33Very low236 Ų236146.6 Ų146.689%0.89181%0.807SS**  -161.891.9126.2-145.5169.3-169.2-1541.6110.1
807T33.8Very low32.9Very low103 Ų103142.3 Ų142.363%0.63280%0.802SS**  46.199103.759.70000114.6
808S31.1Very low32.6Very low110 Ų110139.3 Ų139.377%0.76980%0.795SS**  73.2114.48654.80000116
809I33.2Very low32.5Very low169 Ų169142.8 Ų142.887%0.86781%0.805SS**  trans-140.7116.1149.2-58179.5000105.7
810G31.8Very low32.2Very low64 Ų64142.9 Ų142.966%0.6680%0.798SS**  trans-119-162.7158.100000108.6
811P39.3Very low32.3Very low130 Ų130145.6 Ų145.684%0.84481%0.809SS**  -127.2167.6-50.635-20.8000110.5
812D34.1Very low32.1Very low147 Ų147145.6 Ų145.679%0.78680%0.804SS**  trans-143.3104.6166.6-142-3.9000110.9
813N34.8Very low32.2Very low155 Ų155144.6 Ų144.683%0.82980%0.804SS**  trans41.6134.7137.6-64.4-33.7000122.5
814G31.4Very low32.2Very low77 Ų77142.4 Ų142.479%0.79480%0.795SS**  trans152.475.7145.100000116
815D29.4Very low32.2Very low169 Ų169136.8 Ų136.890%0.90478%0.783SS**  trans-56.2140.1163.3-63.4-53.6000111.9
816A31.4Very low32.3Very low101 Ų101137.9 Ų137.984%0.83578%0.78SS**  trans-166108.6144.400000110.9
817A32.8Very low32.4Very low85 Ų85131.1 Ų131.170%0.70277%0.769SS**  trans-68.2159.9170.100000113
818S27.2Very low32.4Very low111 Ų111133.3 Ų133.378%0.77678%0.777SS**  trans-45.5133.3166.653.40000115.5
819I31.5Very low32.6Very low166 Ų166134.1 Ų134.185%0.85177%0.773SS**  trans-140.8122.8148-63.4-175.2000109.4
820I28.1Very low32.5Very low146 Ų146130.5 Ų130.575%0.74976%0.762SS**  trans-75.3132.8165.3-66.2164.5000108.1
821N33.4Very low32.7Very low155 Ų155136 Ų13683%0.82977%0.774SS**  trans-171.5146.7133.1-97.1-27.5000114.3
822K29.4Very low32.4Very low181 Ų181132.8 Ų132.879%0.78777%0.765SS**  trans-61.6148.6-179.7-67.4160.8167.4170.70113.5
823D35.2Very low32.4Very low136 Ų136133.6 Ų133.673%0.72777%0.77SS**  165.7111.8120.9-85-25.1000109.1
824Q33Very low32.5Very low156 Ų156135.8 Ų135.873%0.72977%0.772SS**  72.5127.497.7-72.3-16016.800116
825N33.1Very low32.6Very low123 Ų123137 Ų13766%0.65877%0.769SS**  trans72.7144.9154.6-66.6-34.2000116.8
826K33.5Very low32.9Very low175 Ų175139.2 Ų139.276%0.76177%0.77SS**  cis178.8160.5-14-118175.8-179.6175.30103.2
827S33.3Very low33Very low95 Ų95143 Ų14366%0.66477%0.77SS**  trans68.2113.715655.70000117.2
828N33.1Very low33.2Very low149 Ų149146.4 Ų146.480%0.79778%0.776SS**  72136.895.8-64.89.1000110.6
829D34.7Very low33.5Very low127 Ų127149.5 Ų149.568%0.67978%0.784SS**  cis-171.6151.314-129.4-46.5000106.3
830S31.8Very low33.7Very low93 Ų93146.3 Ų146.365%0.6578%0.776SS**  trans32.6120.514533.60000121.4
831I35.7Very low34.2Very low178 Ų178145.2 Ų145.291%0.91378%0.777SS**  trans178.1122.1131.9-83.6145.5000103.7
832G34.4Very low34.7Very low63 Ų63144.6 Ų144.665%0.64978%0.778SS**  cis133.4106.627.700000106.8
833N33.6Very low35.2Very low165 Ų165143.2 Ų143.288%0.88278%0.779SS**  trans44.4100.2157.7-73.5-21.2000119.4
834K36.7Very low35.4Very low200 Ų200142.3 Ų142.387%0.8778%0.784SS**  trans-140.1114.9135-97179.8-177.71750110.1
835S33.8Very low36.3Very low104 Ų104140 Ų14073%0.72778%0.775SS**  trans67.589.1144.1-40.90000116
836K34.4Very low37.3Very low214 Ų214137.2 Ų137.293%0.9377%0.766SS**  33.470.275.7-76.8-169.9179.8-179.80113.5
837E34.5Very low39.1Very low181 Ų181133.4 Ų133.485%0.84676%0.762SS**  trans175.493.3153.2-103.6175.4-174.900106.9
838L36.4Very low41Very low157 Ų157134.5 Ų134.582%0.82276%0.756SS**  trans177.5-7.3163-99149000113.6S840L838-S840 PolarHBondContact O-N 2.93Å
839N33.8Very low42.8Very low175 Ų175128.8 Ų128.894%0.93673%0.729SS**THydrogen-bonded Turntrans-84.775.9164.9-76.8-11.3000110.9
840S36.7Very low44.8Very low100 Ų100126.1 Ų126.170%0.69972%0.715SS**THydrogen-bonded Turntrans-155.92.9166.659.70000116.4L838L838-S840 PolarHBondContact O-N 2.93Å
841T38.4Very low47.3Very low123 Ų123125.6 Ų125.676%0.75571%0.708SS**SBendtrans-114.816.9-171-270000115.5
842V42.4Very low49.5Very low142 Ų142120 Ų12086%0.86169%0.689SS**SBendtrans-115.62.4173.3-173.40000112.8
843N40.3Very low51.8Low152 Ų152121 Ų12181%0.81368%0.679SS**  trans-114.782.2178-78.7-16.1000111.5
844S40.5Very low54.4Low117 Ų117117.5 Ų117.582%0.81866%0.66SS**  trans-151.646.1154.282.10000111.9
845L50.3Low56.9Low106 Ų106114.4 Ų114.456%0.55565%0.646SS**SBendtrans-73.8128.6147.2-74.5165.8000105.6A849 N850L845-A849 HydrophobicContact CB-CB 4.28Å; L845-A849 HydrophobicContact CD2-CB 4.25Å; L845-N850 WeakPolarHBondContact CD1-OD1 3.28Å
846S55.9Low59.5Low66 Ų66116.1 Ų116.146%0.46264%0.641SS.*  trans-52.5145.3174.955.90000109E848 A849 N850S846-E848 PolarHBondContact O-N 2.66Å; S846-A849 WeakPolarHBondContact O-CB 3.48Å; S846-A849 PolarHBondContact O-N 3.35Å; S846-A849 WeakPolarHBondContact OG-CB 3.47Å; S846-A849 PolarHBondContact OG-N 3.02Å; S846-N850 PolarHBondContact O-N 2.97Å
847S70.6Confident62.1Low95 Ų95110.8 Ų110.866%0.66462%0.621SS**Hα-helixtrans-51.2-31.1176.156.10000111.9T851S847-T851 WeakPolarHBondContact O-CB 3.32Å; S847-T851 PolarHBondContact O-N 3.4Å; S847-T851 VanDerWaalsContact O-N 3.12Å; S847-T851 PolarHBondContact O-OG1 3.31Å
848E73.6Confident64.7Low117 Ų117104.4 Ų104.455%0.54759%0.591SS.*Hα-helixtrans-63.7-43172.5-65.9178.1159.100113.2Q686 S846 T851 A852Q686-E848 PolarHBondContact NE2-OE1 2.88Å; S846-E848 PolarHBondContact O-N 2.66Å; E848-T851 PolarHBondContact O-N 3.03Å; E848-A852 WeakPolarHBondContact O-CB 3.49Å; E848-A852 PolarHBondContact O-N 2.89Å
849A70.8Confident67.3Low29 Ų29103.1 Ų103.124%0.2458%0.581CS.*Hα-helixtrans-66.6-42.7179.200000112.2L845 S846 T851 A852 I853L845-A849 HydrophobicContact CB-CB 4.28Å; L845-A849 HydrophobicContact CD2-CB 4.25Å; S846-A849 WeakPolarHBondContact O-CB 3.48Å; S846-A849 PolarHBondContact O-N 3.35Å; S846-A849 WeakPolarHBondContact OG-CB 3.47Å; S846-A849 PolarHBondContact OG-N 3.02Å; A849-T851 VanDerWaalsContact C-N 3.32Å; A849-T851 PolarHBondContact O-N 3.27Å; A849-A852 PolarHBondContact O-N 2.93Å; A849-I853 VanDerWaalsContact O-CG1 3.28Å; A849-I853 WeakPolarHBondContact O-CG1 3.41Å; A849-I853 PolarHBondContact O-N 3.34Å
850N76.9Confident70Confident71 Ų71102 Ų10238%0.3857%0.568SS.*Hα-helixtrans-64.3-38.3175.3-78.8-17.9000111.8L845 S846 I853 N854L845-N850 WeakPolarHBondContact CD1-OD1 3.28Å; S846-N850 PolarHBondContact O-N 2.97Å; N850-I853 PolarHBondContact O-N 3.43Å; N850-N854 VanDerWaalsContact O-CG 3.32Å; N850-N854 PolarHBondContact O-N 3.4Å
851T83.1Confident72.7Confident82 Ų82100.1 Ų100.150%0.50355%0.547SS..Hα-helixtrans-66.3-40.4177.2-51.80000111.6S847 E848 A849 N854 K855S847-T851 WeakPolarHBondContact O-CB 3.32Å; S847-T851 PolarHBondContact O-N 3.4Å; S847-T851 VanDerWaalsContact O-N 3.12Å; S847-T851 PolarHBondContact O-OG1 3.31Å; E848-T851 PolarHBondContact O-N 3.03Å; A849-T851 VanDerWaalsContact C-N 3.32Å; A849-T851 PolarHBondContact O-N 3.27Å; T851-N854 PolarHBondContact O-N 3.02Å; T851-K855 PolarHBondContact O-N 2.77Å; T851-K855 VanDerWaalsContact O-N 3.08Å
852A81.8Confident75.3Confident62 Ų6296.1 Ų96.151%0.51252%0.519SS..Hα-helixtrans-65.9-40.4176.300000112.5E848 A849 K856E848-A852 WeakPolarHBondContact O-CB 3.49Å; E848-A852 PolarHBondContact O-N 2.89Å; A849-A852 PolarHBondContact O-N 2.93Å; A852-K856 PolarHBondContact O-N 3.21Å; A852-K856 VanDerWaalsContact O-N 3.15Å
853I84.2Confident77.6Confident84 Ų8493.7 Ų93.743%0.43151%0.505SS..Hα-helixtrans-62.9-46.2175.3-69.1165.7000110.4A849 N850 K855 K856 I857A849-I853 VanDerWaalsContact O-CG1 3.28Å; A849-I853 WeakPolarHBondContact O-CG1 3.41Å; A849-I853 PolarHBondContact O-N 3.34Å; N850-I853 PolarHBondContact O-N 3.43Å; I853-K855 PolarHBondContact O-N 3.4Å; I853-K856 PolarHBondContact O-N 3.13Å; I853-I857 HydrophobicContact CG2-CD1 3.81Å; I853-I857 HydrophobicContact CG2-CG1 4.43Å; I853-I857 WeakPolarHBondContact O-CG1 3.37Å; I853-I857 PolarHBondContact O-N 3.15Å
854N87.7Confident80Confident90 Ų9088.7 Ų88.748%0.48148%0.481SS..Hα-helixtrans-61.5-43.7179.4-74-15.1000112.4N850 T851 K856 I857 Q858N850-N854 VanDerWaalsContact O-CG 3.32Å; N850-N854 PolarHBondContact O-N 3.4Å; T851-N854 PolarHBondContact O-N 3.02Å; N854-K856 VanDerWaalsContact C-N 3.32Å; N854-K856 PolarHBondContact O-N 2.88Å; N854-I857 PolarHBondContact O-N 3.25Å; N854-Q858 VanDerWaalsContact O-CG 3.29Å; N854-Q858 WeakPolarHBondContact O-CG 3.35Å; N854-Q858 PolarHBondContact O-N 3.33Å
855K88.8Confident82.5Confident135 Ų13583.2 Ų83.259%0.58744%0.443SS*.Hα-helixtrans-58.9-42.5174.5-79.2-169.5173.5-169.70112.6T851 I853 I857 Q858 E859T851-K855 PolarHBondContact O-N 2.77Å; T851-K855 VanDerWaalsContact O-N 3.08Å; I853-K855 PolarHBondContact O-N 3.4Å; K855-I857 VanDerWaalsContact C-N 3.33Å; K855-I857 PolarHBondContact O-N 2.84Å; K855-Q858 WeakPolarHBondContact O-CB 3.44Å; K855-Q858 PolarHBondContact O-N 3.43Å; K855-E859 PolarHBondContact O-N 3.37Å
856K87.9Confident84.5Confident141 Ų14181.9 Ų81.961%0.61343%0.43SS*.Hα-helixtrans-66.8-35.3178.4-161.3171.7-172.4171.70112.3A852 I853 N854 K860A852-K856 PolarHBondContact O-N 3.21Å; A852-K856 VanDerWaalsContact O-N 3.15Å; I853-K856 PolarHBondContact O-N 3.13Å; N854-K856 VanDerWaalsContact C-N 3.32Å; N854-K856 PolarHBondContact O-N 2.88Å; K856-K860 WeakPolarHBondContact O-CG 3.29Å; K856-K860 PolarHBondContact O-N 3.43Å; K856-K860 VanDerWaalsContact O-N 3.15Å
857I88.9Confident86.1Confident101 Ų10187.3 Ų87.352%0.51844%0.442SS..Hα-helixtrans-65.5-44.8173.2-68.6168.2000110.2I853 N854 K855 K860 F861I853-I857 HydrophobicContact CG2-CD1 3.81Å; I853-I857 HydrophobicContact CG2-CG1 4.43Å; I853-I857 WeakPolarHBondContact O-CG1 3.37Å; I853-I857 PolarHBondContact O-N 3.15Å; N854-I857 PolarHBondContact O-N 3.25Å; K855-I857 VanDerWaalsContact C-N 3.33Å; K855-I857 PolarHBondContact O-N 2.84Å; I857-K860 PolarHBondContact O-N 3.07Å; I857-F861 WeakPolarHBondContact O-CB 3.43Å; I857-F861 PolarHBondContact O-N 3.46Å
858Q89.9Confident87.2Confident48 Ų4885.7 Ų85.722%0.22442%0.423CS..Hα-helixtrans-60.5-45.8178.1-69.8163.4-9.800112.1N854 K855 K860 F861 K862 D885 L888N854-Q858 VanDerWaalsContact O-CG 3.29Å; N854-Q858 WeakPolarHBondContact O-CG 3.35Å; N854-Q858 PolarHBondContact O-N 3.33Å; K855-Q858 WeakPolarHBondContact O-CB 3.44Å; K855-Q858 PolarHBondContact O-N 3.43Å; Q858-K860 PolarHBondContact O-N 2.89Å; Q858-F861 PolarHBondContact O-N 3.43Å; Q858-K862 WeakPolarHBondContact O-CG 3.34Å; Q858-K862 PolarHBondContact O-N 2.86Å; Q858-D885 PolarHBondContact NE2-OD1 2.96Å; Q858-D885 PolarHBondContact NE2-OD2 3.17Å; Q858-D885 PolarHBondContact OE1-OD1 3.13Å; Q858-L888 HydrophobicContact CB-CD1 3.96Å; Q858-L888 HydrophobicContact CG-CD1 4.17Å
859E90.1Very high88Confident129 Ų12981.9 Ų81.960%0.60341%0.406SS*.Hα-helixtrans-59.8-45.5175.5-75.8178.2171.400111.7K855 F861 K862 V863K855-E859 PolarHBondContact O-N 3.37Å; E859-F861 VanDerWaalsContact C-N 3.29Å; E859-F861 PolarHBondContact O-N 3.41Å; E859-K862 PolarHBondContact O-N 3.22Å; E859-V863 WeakPolarHBondContact O-CG2 3.36Å; E859-V863 PolarHBondContact O-N 2.85Å
860K91.4Very high88.8Confident151 Ų15180.8 Ų80.866%0.65740%0.396SS*.Hα-helixtrans-63.3-36.5175.9-75.3-157.4173.1-1560112.9K856 I857 Q858 V863 C864K856-K860 WeakPolarHBondContact O-CG 3.29Å; K856-K860 PolarHBondContact O-N 3.43Å; K856-K860 VanDerWaalsContact O-N 3.15Å; I857-K860 PolarHBondContact O-N 3.07Å; Q858-K860 PolarHBondContact O-N 2.89Å; K860-V863 PolarHBondContact O-N 3.07Å; K860-C864 PolarHBondContact O-N 2.92Å
861F92.7Very high89.1Confident61 Ų6183.3 Ų83.327%0.26842%0.417SS..Hα-helixtrans-68.1-40.3178-168.2-123.8000111.5I857 Q858 E859 V863 C864 L865 L888 L893I857-F861 WeakPolarHBondContact O-CB 3.43Å; I857-F861 PolarHBondContact O-N 3.46Å; Q858-F861 PolarHBondContact O-N 3.43Å; E859-F861 VanDerWaalsContact C-N 3.29Å; E859-F861 PolarHBondContact O-N 3.41Å; F861-V863 PolarHBondContact O-N 3.08Å; F861-C864 WeakPolarHBondContact O-CB 3.39Å; F861-C864 PolarHBondContact O-N 3.33Å; F861-L865 HydrophobicContact CD1-CD1 4.28Å; F861-L865 HydrophobicContact CE1-CD1 4.04Å; F861-L865 HydrophobicContact CZ-CD1 4.43Å; F861-L865 WeakPolarHBondContact O-CG 3.48Å; F861-L865 PolarHBondContact O-N 2.99Å; F861-L888 HydrophobicContact CD1-CB 4.26Å; F861-L888 HydrophobicContact CD1-CD2 3.9Å; F861-L888 HydrophobicContact CD1-CG 4.45Å; F861-L888 HydrophobicContact CE1-CB 4.38Å; F861-L888 HydrophobicContact CE1-CD2 4.29Å; F861-L893 HydrophobicContact CE2-CD1 4.23Å; F861-L893 HydrophobicContact CE2-CD2 3.99Å; F861-L893 HydrophobicContact CZ-CD1 3.85Å; F861-L893 HydrophobicContact CZ-CD2 3.68Å; F861-L893 HydrophobicContact CZ-CG 4.11Å
862K92.7Very high89Confident39 Ų3987.5 Ų87.517%0.1743%0.431CS..Hα-helixtrans-59.7-44.3171.7-72176.4176.4-167.20112.5Q858 E859 C864 L865 R866 I880 H881 L883 L888Q858-K862 WeakPolarHBondContact O-CG 3.34Å; Q858-K862 PolarHBondContact O-N 2.86Å; E859-K862 PolarHBondContact O-N 3.22Å; K862-C864 VanDerWaalsContact C-N 3.31Å; K862-C864 PolarHBondContact O-N 3.13Å; K862-L865 PolarHBondContact O-N 3.31Å; K862-R866 WeakPolarHBondContact O-CB 3.44Å; K862-R866 PolarHBondContact O-N 3.16Å; K862-I880 HydrophobicContact CB-CG2 4.3Å; K862-I880 WeakPolarHBondContact O-CG2 3.26Å; K862-H881 PolarHBondContact NZ-O 3.3Å; K862-L883 WeakPolarHBondContact CE-O 3.06Å; K862-L883 PolarHBondContact NZ-O 2.57Å; K862-L888 HydrophobicContact CD-CD1 4.45Å; K862-L888 HydrophobicContact CG-CD1 4.06Å; K862-L888 HydrophobicContact CG-CD2 3.87Å
863V91.3Very high89.3Confident91 Ų9186.1 Ų86.155%0.55241%0.412SS*.Hα-helixtrans-61.4-41.4175.6174.40000111.2E859 K860 F861 R866 Y867E859-V863 WeakPolarHBondContact O-CG2 3.36Å; E859-V863 PolarHBondContact O-N 2.85Å; K860-V863 PolarHBondContact O-N 3.07Å; F861-V863 PolarHBondContact O-N 3.08Å; V863-R866 PolarHBondContact O-N 3.15Å; V863-Y867 PolarHBondContact O-N 3.12Å
864C92Very high89.5Confident48 Ų4887.1 Ų87.132%0.32443%0.425SS..Hα-helixtrans-60.5-51.4176.3-167.50000111.7K860 F861 K862 R866 Y867 F868K860-C864 PolarHBondContact O-N 2.92Å; F861-C864 WeakPolarHBondContact O-CB 3.39Å; F861-C864 PolarHBondContact O-N 3.33Å; K862-C864 VanDerWaalsContact C-N 3.31Å; K862-C864 PolarHBondContact O-N 3.13Å; C864-R866 VanDerWaalsContact C-N 3.27Å; C864-R866 PolarHBondContact O-N 3.41Å; C864-Y867 PolarHBondContact O-N 3.27Å; C864-Y867 VanDerWaalsContact O-N 3.13Å; C864-F868 VanDerWaalsContact O-CD2 3.3Å; C864-F868 WeakPolarHBondContact O-CD2 3.46Å; C864-F868 PolarHBondContact O-N 3.36Å; C864-F868 VanDerWaalsContact O-N 3.12Å
865L92.8Very high89.4Confident1 Ų185 Ų851%0.00541%0.412CS..Hα-helixtrans-59.9-37.4177.6-67.9178.7000112.3F861 K862 L869 I880 L883 L888 F891 L893 F896F861-L865 HydrophobicContact CD1-CD1 4.28Å; F861-L865 HydrophobicContact CE1-CD1 4.04Å; F861-L865 HydrophobicContact CZ-CD1 4.43Å; F861-L865 WeakPolarHBondContact O-CG 3.48Å; F861-L865 PolarHBondContact O-N 2.99Å; K862-L865 PolarHBondContact O-N 3.31Å; L865-L869 PolarHBondContact O-N 3.25Å; L865-I880 HydrophobicContact CB-CG2 3.84Å; L865-L883 HydrophobicContact CD1-CD1 4.43Å; L865-L888 HydrophobicContact CD1-CD2 4.03Å; L865-F891 HydrophobicContact CD1-CD1 3.95Å; L865-F891 HydrophobicContact CD1-CD2 3.95Å; L865-F891 HydrophobicContact CD1-CE1 4.03Å; L865-F891 HydrophobicContact CD1-CE2 4.02Å; L865-F891 HydrophobicContact CD1-CG 3.9Å; L865-F891 HydrophobicContact CD1-CZ 4.06Å; L865-F891 HydrophobicContact CD2-CD1 3.78Å; L865-F891 HydrophobicContact CD2-CE1 3.51Å; L865-F891 HydrophobicContact CD2-CZ 4.11Å; L865-F891 HydrophobicContact CG-CE1 4.34Å; L865-L893 HydrophobicContact CD2-CD2 3.77Å; L865-F896 HydrophobicContact CD2-CD1 4.4Å; L865-F896 HydrophobicContact CD2-CE1 4.16Å; L865-F896 HydrophobicContact CD2-CZ 4.24Å; L865-F896 VanDerWaalsContact O-CZ 3.29Å; L865-F896 WeakPolarHBondContact O-CZ 3.47Å
866R91.6Very high89.3Confident79 Ų7985.1 Ų85.130%0.29842%0.415SS..Hα-helixtrans-66.6-36.4176.7-175.3179150110.1-6.4112.9K862 V863 C864 K877 D878 I880 H881K862-R866 WeakPolarHBondContact O-CB 3.44Å; K862-R866 PolarHBondContact O-N 3.16Å; V863-R866 PolarHBondContact O-N 3.15Å; C864-R866 VanDerWaalsContact C-N 3.27Å; C864-R866 PolarHBondContact O-N 3.41Å; R866-K877 HydrophobicContact CG-CD 4.17Å; R866-K877 HydrophobicContact CG-CG 3.43Å; R866-K877 VanDerWaalsContact CG-CG 3.43Å; R866-K877 WeakPolarHBondContact O-CE 3.49Å; R866-D878 IonicContact CZ-OD1 2.89Å; R866-D878 IonicContact NH1-OD1 3Å; R866-D878 PolarHBondContact NH1-OD1 3.23Å; R866-I880 HydrophobicContact CB-CD1 4.1Å; R866-I880 HydrophobicContact CB-CG2 4.36Å; R866-H881 VanDerWaalsContact CD-NE2 3.28Å; R866-H881 WeakPolarHBondContact CD-NE2 3.04Å; R866-H881 PolarHBondContact NH1-NE2 3.47Å
867Y90.2Very high89.3Confident179 Ų17983.5 Ų83.570%0.70241%0.408SS*.Hα-helixtrans-71.1-42.5-179.7-171.1-90.2000111.9V863 C864 L869V863-Y867 PolarHBondContact O-N 3.12Å; C864-Y867 PolarHBondContact O-N 3.27Å; C864-Y867 VanDerWaalsContact O-N 3.13Å; Y867-L869 PolarHBondContact O-N 3Å
868F92Very high89.1Confident62 Ų6283.8 Ų83.827%0.27241%0.411SS..THydrogen-bonded Turntrans-92.916-175.8-68.3-72.4000114.4C864 P870 F896 F897 Y900C864-F868 VanDerWaalsContact O-CD2 3.3Å; C864-F868 WeakPolarHBondContact O-CD2 3.46Å; C864-F868 PolarHBondContact O-N 3.36Å; C864-F868 VanDerWaalsContact O-N 3.12Å; F868-P870 WeakPolarHBondContact O-CD 3.41Å; F868-F896 HydrophobicContact CB-CE1 3.68Å; F868-F896 HydrophobicContact CB-CZ 4.04Å; F868-F896 WeakPolarHBondContact O-CE1 3.38Å; F868-F896 WeakPolarHBondContact O-CZ 3.07Å; F868-F897 HydrophobicContact CB-CE1 3.81Å; F868-F897 HydrophobicContact CD1-CE1 4.41Å; F868-F897 HydrophobicContact CD2-CE1 4.17Å; F868-F897 AromaticContact CG-CE1 3.89Å; F868-F897 HydrophobicContact CG-CE1 3.89Å; F868-Y900 AromaticContact CD1-CE1 3.94Å; F868-Y900 HydrophobicContact CD1-CE1 3.94Å; F868-Y900 HydrophobicContact CD1-CE2 4.24Å; F868-Y900 AromaticContact CD1-CZ 3.81Å; F868-Y900 HydrophobicContact CE1-CE1 4.49Å; F868-Y900 WeakPolarHBondContact O-CD2 3.31Å
869L90.2Very high89Confident36 Ų3685.7 Ų85.719%0.18842%0.419CS..  trans-62116.5-175.1-17169.6000111.3L865 Y867 W873 K877 I880 F896L865-L869 PolarHBondContact O-N 3.25Å; Y867-L869 PolarHBondContact O-N 3Å; L869-W873 HydrophobicContact CD1-CB 3.7Å; L869-W873 VanDerWaalsContact CD1-CD1 3.5Å; L869-W873 HydrophobicContact CD1-CG 3.8Å; L869-W873 HydrophobicContact CG-CB 4.24Å; L869-K877 HydrophobicContact CD2-CB 3.83Å; L869-K877 HydrophobicContact CD2-CG 4.31Å; L869-I880 HydrophobicContact CD1-CD1 3.83Å; L869-I880 HydrophobicContact CD2-CD1 4.28Å; L869-I880 HydrophobicContact CG-CD1 4.44Å; L869-F896 HydrophobicContact CD1-CE2 3.81Å
870P89.3Confident89Confident6 Ų679.6 Ų79.64%0.03939%0.391CS..  trans-60.7144.4175-18.126.8000111.7F868 E872 W873 F896 R899F868-P870 WeakPolarHBondContact O-CD 3.41Å; P870-E872 PolarHBondContact O-N 3.03Å; P870-W873 HydrophobicContact CB-CB 4.24Å; P870-W873 HydrophobicContact CG-CB 4.23Å; P870-W873 HydrophobicContact CG-CD2 4.45Å; P870-W873 HydrophobicContact CG-CE3 4.02Å; P870-W873 WeakPolarHBondContact O-CB 3.37Å; P870-W873 PolarHBondContact O-N 3.04Å; P870-F896 VanDerWaalsContact CD-CE2 3.42Å; P870-F896 HydrophobicContact CG-CD2 4.37Å; P870-F896 HydrophobicContact CG-CE2 4.43Å; P870-F896 WeakPolarHBondContact CG-O 3.37Å; P870-R899 HydrophobicContact CB-CB 4.03Å; P870-R899 HydrophobicContact CG-CB 3.95Å
871P81.7Confident88.8Confident125 Ų12576.7 Ų76.781%0.81238%0.379SS*.THydrogen-bonded Turntrans-56-24.6-179-26.533.8000115.4
872E81.3Confident88.7Confident169 Ų16978.9 Ų78.979%0.7940%0.398SS*.THydrogen-bonded Turntrans-116.827.5-179.4-59.1-175.9174.500112.6P870 R899P870-E872 PolarHBondContact O-N 3.03Å; E872-R899 PolarHBondContact O-NH1 2.95Å
873W88Confident88.5Confident33 Ų3377.7 Ų77.713%0.12539%0.394CS..  trans-72.4140.9174.1-162.9-111.1000110.7L869 P870 M875 F891 P892 D895 F896 R899L869-W873 HydrophobicContact CD1-CB 3.7Å; L869-W873 VanDerWaalsContact CD1-CD1 3.5Å; L869-W873 HydrophobicContact CD1-CG 3.8Å; L869-W873 HydrophobicContact CG-CB 4.24Å; P870-W873 HydrophobicContact CB-CB 4.24Å; P870-W873 HydrophobicContact CG-CB 4.23Å; P870-W873 HydrophobicContact CG-CD2 4.45Å; P870-W873 HydrophobicContact CG-CE3 4.02Å; P870-W873 WeakPolarHBondContact O-CB 3.37Å; P870-W873 PolarHBondContact O-N 3.04Å; W873-M875 PolarHBondContact O-N 3.08Å; W873-F891 HydrophobicContact CZ2-CE1 4.4Å; W873-F891 HydrophobicContact CZ2-CZ 4.36Å; W873-F891 AromaticContact NE1-CZ 3.73Å; W873-P892 HydrophobicContact CH2-CG 4.15Å; W873-P892 HydrophobicContact CZ2-CG 3.91Å; W873-D895 HydrophobicContact CH2-CB 4.03Å; W873-D895 HydrophobicContact CZ3-CB 4.42Å; W873-F896 AromaticContact CD2-CD2 3.82Å; W873-F896 HydrophobicContact CD2-CD2 3.82Å; W873-F896 HydrophobicContact CD2-CE2 4.49Å; W873-F896 AromaticContact CE2-CD2 3.66Å; W873-F896 HydrophobicContact CE3-CD2 4.23Å; W873-F896 HydrophobicContact CG-CD2 4.25Å; W873-F896 HydrophobicContact CG-CE2 4.46Å; W873-F896 VanDerWaalsContact CH2-CA 3.46Å; W873-F896 HydrophobicContact CH2-CB 3.75Å; W873-F896 HydrophobicContact CH2-CD2 4.36Å; W873-F896 HydrophobicContact CZ2-CB 3.96Å; W873-F896 AromaticContact CZ2-CD2 3.95Å; W873-F896 HydrophobicContact CZ2-CD2 3.95Å; W873-F896 HydrophobicContact CZ2-CG 4.47Å; W873-F896 VanDerWaalsContact CZ3-CA 3.43Å; W873-F896 HydrophobicContact CZ3-CB 4.13Å; W873-F896 AromaticContact NE1-CD2 3.92Å; W873-R899 HydrophobicContact CE3-CB 4.4Å; W873-R899 HydrophobicContact CE3-CG 4.46Å; W873-R899 HydrophobicContact CZ3-CB 4.42Å; W873-R899 HydrophobicContact CZ3-CG 4.19Å
874P88.1Confident88.5Confident106 Ų10676.8 Ų76.869%0.68839%0.388SS*.SBendtrans-63.1-6.8-175.4-24.234.8000116.2
875M86.4Confident88.2Confident45 Ų4579.2 Ų79.222%0.22240%0.398CS..SBendtrans-123.7132.9-173.7-178.9-177.3-61.600109.5W873 Q879 I880 L883 F891W873-M875 PolarHBondContact O-N 3.08Å; M875-Q879 HydrophobicContact CG-CB 3.58Å; M875-Q879 HydrophobicContact SD-CB 4.27Å; M875-I880 HydrophobicContact SD-CG1 3.99Å; M875-L883 HydrophobicContact CE-CD2 3.72Å; M875-L883 HydrophobicContact SD-CD1 4.18Å; M875-L883 HydrophobicContact SD-CD2 3.96Å; M875-L883 HydrophobicContact SD-CG 4.31Å; M875-F891 HydrophobicContact SD-CE2 4.47Å
876E86.9Confident88Confident138 Ų13883.2 Ų83.265%0.64543%0.426SS*.  trans-75.3156.4179.8-67.8-178.5170.300112.2D878 Q879E876-D878 PolarHBondContact O-N 3.39Å; E876-D878 VanDerWaalsContact O-N 3.1Å; E876-Q879 HydrophobicContact CB-CG 4.25Å; E876-Q879 WeakPolarHBondContact O-CB 3.24Å; E876-Q879 PolarHBondContact O-N 3.32Å
877K87Confident88Confident106 Ų10682.5 Ų82.546%0.46143%0.428SS..THydrogen-bonded Turntrans-56.6-30.4-174.2-163.1173.3-175.8176.80114.1R866 L869R866-K877 HydrophobicContact CG-CD 4.17Å; R866-K877 HydrophobicContact CG-CG 3.43Å; R866-K877 VanDerWaalsContact CG-CG 3.43Å; R866-K877 WeakPolarHBondContact O-CE 3.49Å; L869-K877 HydrophobicContact CD2-CB 3.83Å; L869-K877 HydrophobicContact CD2-CG 4.31Å
878D85.3Confident88.1Confident108 Ų10874.6 Ų74.658%0.57840%0.398SS*.THydrogen-bonded Turntrans-85.5-20.6-179.5-60.4-33.2000113R866 E876 I880R866-D878 IonicContact CZ-OD1 2.89Å; R866-D878 IonicContact NH1-OD1 3Å; R866-D878 PolarHBondContact NH1-OD1 3.23Å; E876-D878 PolarHBondContact O-N 3.39Å; E876-D878 VanDerWaalsContact O-N 3.1Å; D878-I880 VanDerWaalsContact C-N 3.31Å; D878-I880 PolarHBondContact O-N 2.87Å
879Q88.2Confident87.9Confident88 Ų8876 Ų7641%0.41142%0.421SS..G310 helixtrans-72.2-24.7178.4-65.8176.4-7.700112.4M875 E876 H881 T882M875-Q879 HydrophobicContact CG-CB 3.58Å; M875-Q879 HydrophobicContact SD-CB 4.27Å; E876-Q879 HydrophobicContact CB-CG 4.25Å; E876-Q879 WeakPolarHBondContact O-CB 3.24Å; E876-Q879 PolarHBondContact O-N 3.32Å; Q879-H881 PolarHBondContact O-N 2.6Å; Q879-T882 WeakPolarHBondContact O-CB 3.38Å; Q879-T882 PolarHBondContact O-N 2.85Å; Q879-T882 PolarHBondContact O-OG1 2.94Å
880I89.1Confident88Confident0 Ų078.4 Ų78.40%044%0.441CS..G310 helixtrans-60.3-34-179.1-64.2167.5000112K862 L865 R866 L869 M875 D878 T882 L883K862-I880 HydrophobicContact CB-CG2 4.3Å; K862-I880 WeakPolarHBondContact O-CG2 3.26Å; L865-I880 HydrophobicContact CB-CG2 3.84Å; R866-I880 HydrophobicContact CB-CD1 4.1Å; R866-I880 HydrophobicContact CB-CG2 4.36Å; L869-I880 HydrophobicContact CD1-CD1 3.83Å; L869-I880 HydrophobicContact CD2-CD1 4.28Å; L869-I880 HydrophobicContact CG-CD1 4.44Å; M875-I880 HydrophobicContact SD-CG1 3.99Å; D878-I880 VanDerWaalsContact C-N 3.31Å; D878-I880 PolarHBondContact O-N 2.87Å; I880-T882 PolarHBondContact O-N 3.15Å; I880-L883 HydrophobicContact CG2-CD1 4.2Å; I880-L883 WeakPolarHBondContact O-CB 3.4Å; I880-L883 WeakPolarHBondContact O-CG 3.45Å; I880-L883 PolarHBondContact O-N 3.22Å
881H87.5Confident88.1Confident90 Ų9079.1 Ų79.142%0.41744%0.443SS..G310 helixtrans-65.4-25.6177.6-65.6-54.9000112.6K862 R866 Q879K862-H881 PolarHBondContact NZ-O 3.3Å; R866-H881 VanDerWaalsContact CD-NE2 3.28Å; R866-H881 WeakPolarHBondContact CD-NE2 3.04Å; R866-H881 PolarHBondContact NH1-NE2 3.47Å; Q879-H881 PolarHBondContact O-N 2.6Å
882T89.8Confident88.7Confident108 Ų10876.1 Ų76.166%0.66342%0.424SS*.G310 helixtrans-85.9-7-177.971.90000114.3Q879 I880 T884Q879-T882 WeakPolarHBondContact O-CB 3.38Å; Q879-T882 PolarHBondContact O-N 2.85Å; Q879-T882 PolarHBondContact O-OG1 2.94Å; I880-T882 PolarHBondContact O-N 3.15Å; T882-T884 PolarHBondContact O-N 3.37Å
883L90.1Very high89.2Confident14 Ų1471.1 Ų71.17%0.07340%0.402CS..  trans-59.7130.9-179.6-66.5172.5000111.6K862 L865 M875 I880 D887 L888 F891K862-L883 WeakPolarHBondContact CE-O 3.06Å; K862-L883 PolarHBondContact NZ-O 2.57Å; L865-L883 HydrophobicContact CD1-CD1 4.43Å; M875-L883 HydrophobicContact CE-CD2 3.72Å; M875-L883 HydrophobicContact SD-CD1 4.18Å; M875-L883 HydrophobicContact SD-CD2 3.96Å; M875-L883 HydrophobicContact SD-CG 4.31Å; I880-L883 HydrophobicContact CG2-CD1 4.2Å; I880-L883 WeakPolarHBondContact O-CB 3.4Å; I880-L883 WeakPolarHBondContact O-CG 3.45Å; I880-L883 PolarHBondContact O-N 3.22Å; L883-D887 HydrophobicContact CB-CB 4.08Å; L883-D887 HydrophobicContact CD2-CB 3.7Å; L883-D887 HydrophobicContact CG-CB 4.46Å; L883-L888 HydrophobicContact CB-CD2 3.88Å; L883-L888 HydrophobicContact CB-CG 4.08Å; L883-L888 HydrophobicContact CD1-CD2 3.83Å; L883-F891 HydrophobicContact CD1-CD2 3.94Å; L883-F891 HydrophobicContact CD1-CE2 3.95Å
884T91.1Very high89.3Confident72 Ų7277.3 Ų77.344%0.44243%0.432SS..  trans-76.1166.6174.469.20000111T882 S886 D887 L888T882-T884 PolarHBondContact O-N 3.37Å; T884-S886 PolarHBondContact O-N 2.65Å; T884-S886 PolarHBondContact OG1-N 3.37Å; T884-D887 WeakPolarHBondContact CB-OD2 3.48Å; T884-D887 WeakPolarHBondContact CG2-OD2 3.41Å; T884-D887 PolarHBondContact N-OD2 3.13Å; T884-D887 PolarHBondContact O-N 3.39Å; T884-D887 PolarHBondContact OG1-N 2.96Å; T884-D887 PolarHBondContact OG1-OD2 3.17Å; T884-L888 PolarHBondContact O-N 3.5Å
885D86.3Confident89.5Confident98 Ų9876.8 Ų76.852%0.52442%0.424SS..Hα-helixtrans-55.2-35.3174.5-66.315.1000112.1Q858 A889Q858-D885 PolarHBondContact NE2-OD1 2.96Å; Q858-D885 PolarHBondContact NE2-OD2 3.17Å; Q858-D885 PolarHBondContact OE1-OD1 3.13Å; D885-A889 WeakPolarHBondContact O-CB 3.48Å; D885-A889 PolarHBondContact O-N 2.91Å; D885-A889 VanDerWaalsContact O-N 3.13Å
886S88.2Confident89.8Confident85 Ų8574.7 Ų74.759%0.59441%0.413SS*.Hα-helixtrans-68.3-44.2175.4-169.80000111.3T884 L888 A889 S890T884-S886 PolarHBondContact O-N 2.65Å; T884-S886 PolarHBondContact OG1-N 3.37Å; S886-L888 VanDerWaalsContact C-N 3.35Å; S886-L888 PolarHBondContact O-N 3.34Å; S886-A889 PolarHBondContact O-N 3.24Å; S886-S890 PolarHBondContact O-N 3.31Å; S886-S890 PolarHBondContact O-OG 3.49Å
887D91.3Very high90.1Very high65 Ų6572 Ų7235%0.34840%0.399SS..Hα-helixtrans-65.6-39.9-178.9-54.4-42.1000111.4L883 T884 S890 F891L883-D887 HydrophobicContact CB-CB 4.08Å; L883-D887 HydrophobicContact CD2-CB 3.7Å; L883-D887 HydrophobicContact CG-CB 4.46Å; T884-D887 WeakPolarHBondContact CB-OD2 3.48Å; T884-D887 WeakPolarHBondContact CG2-OD2 3.41Å; T884-D887 PolarHBondContact N-OD2 3.13Å; T884-D887 PolarHBondContact O-N 3.39Å; T884-D887 PolarHBondContact OG1-N 2.96Å; T884-D887 PolarHBondContact OG1-OD2 3.17Å; D887-S890 CarbonylContact O-C 3.49Å; D887-S890 PolarHBondContact O-N 2.83Å; D887-S890 PolarHBondContact O-OG 2.91Å; D887-F891 PolarHBondContact O-N 3.42Å
888L91.3Very high90.3Very high13 Ų1370.9 Ų70.97%0.06840%0.399CS..Hα-helixtrans-64.1-40.3174.8-69.8178.6000112Q858 F861 K862 L865 L883 T884 S886 S890 F891Q858-L888 HydrophobicContact CB-CD1 3.96Å; Q858-L888 HydrophobicContact CG-CD1 4.17Å; F861-L888 HydrophobicContact CD1-CB 4.26Å; F861-L888 HydrophobicContact CD1-CD2 3.9Å; F861-L888 HydrophobicContact CD1-CG 4.45Å; F861-L888 HydrophobicContact CE1-CB 4.38Å; F861-L888 HydrophobicContact CE1-CD2 4.29Å; K862-L888 HydrophobicContact CD-CD1 4.45Å; K862-L888 HydrophobicContact CG-CD1 4.06Å; K862-L888 HydrophobicContact CG-CD2 3.87Å; L865-L888 HydrophobicContact CD1-CD2 4.03Å; L883-L888 HydrophobicContact CB-CD2 3.88Å; L883-L888 HydrophobicContact CB-CG 4.08Å; L883-L888 HydrophobicContact CD1-CD2 3.83Å; T884-L888 PolarHBondContact O-N 3.5Å; S886-L888 VanDerWaalsContact C-N 3.35Å; S886-L888 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 3.12Å; L888-F891 PolarHBondContact O-N 3.46Å
889A89.2Confident90.6Very high91 Ų9171 Ų7175%0.75239%0.391SS*.Hα-helixtrans-68.3-29.4178.300000112.7D885 S886D885-A889 WeakPolarHBondContact O-CB 3.48Å; D885-A889 PolarHBondContact O-N 2.91Å; D885-A889 VanDerWaalsContact O-N 3.13Å; S886-A889 PolarHBondContact O-N 3.24Å
890S91.9Very high90.7Very high86 Ų8670.1 Ų70.160%0.60138%0.384SS*.THydrogen-bonded Turntrans-97.67.617760.80000114.5S886 D887 L888S886-S890 PolarHBondContact O-N 3.31Å; S886-S890 PolarHBondContact O-OG 3.49Å; D887-S890 CarbonylContact O-C 3.49Å; D887-S890 PolarHBondContact O-N 2.83Å; D887-S890 PolarHBondContact O-OG 2.91Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 3.12Å
891F92.3Very high90.8Very high22 Ų2274.1 Ų74.110%0.09640%0.403CS..  trans-67.3127.4-175.1-162.5-86.4000110.5L865 W873 M875 L883 D887 L888 L893 F896L865-F891 HydrophobicContact CD1-CD1 3.95Å; L865-F891 HydrophobicContact CD1-CD2 3.95Å; L865-F891 HydrophobicContact CD1-CE1 4.03Å; L865-F891 HydrophobicContact CD1-CE2 4.02Å; L865-F891 HydrophobicContact CD1-CG 3.9Å; L865-F891 HydrophobicContact CD1-CZ 4.06Å; L865-F891 HydrophobicContact CD2-CD1 3.78Å; L865-F891 HydrophobicContact CD2-CE1 3.51Å; L865-F891 HydrophobicContact CD2-CZ 4.11Å; L865-F891 HydrophobicContact CG-CE1 4.34Å; W873-F891 HydrophobicContact CZ2-CE1 4.4Å; W873-F891 HydrophobicContact CZ2-CZ 4.36Å; W873-F891 AromaticContact NE1-CZ 3.73Å; M875-F891 HydrophobicContact SD-CE2 4.47Å; L883-F891 HydrophobicContact CD1-CD2 3.94Å; L883-F891 HydrophobicContact CD1-CE2 3.95Å; D887-F891 PolarHBondContact O-N 3.42Å; L888-F891 PolarHBondContact O-N 3.46Å; F891-L893 VanDerWaalsContact C-N 3.31Å; F891-L893 HydrophobicContact CD1-CD2 4.2Å; F891-L893 PolarHBondContact O-N 3.15Å; F891-F896 HydrophobicContact CE1-CB 3.99Å; F891-F896 AromaticContact CE1-CD2 3.56Å; F891-F896 HydrophobicContact CE1-CD2 3.56Å; F891-F896 HydrophobicContact CE1-CE2 4.14Å; F891-F896 AromaticContact CE1-CG 3.82Å; F891-F896 HydrophobicContact CE1-CG 3.82Å; F891-F896 AromaticContact CZ-CD2 3.82Å; F891-F896 HydrophobicContact CZ-CD2 3.82Å; F891-F896 HydrophobicContact CZ-CE2 4.12Å
892P93Very high90.9Very high61 Ų6175.7 Ų75.740%0.39641%0.411SS..  trans-7878.3-173.532.7-36.1000111.1W873 E894 D895 F896W873-P892 HydrophobicContact CH2-CG 4.15Å; W873-P892 HydrophobicContact CZ2-CG 3.91Å; P892-E894 PolarHBondContact O-N 3.26Å; P892-D895 HydrophobicContact CB-CB 4.36Å; P892-F896 VanDerWaalsContact O-CB 3.29Å; P892-F896 WeakPolarHBondContact O-CB 3.49Å; P892-F896 PolarHBondContact O-N 3.07Å
893L92.3Very high90.8Very high65 Ų6572.1 Ų72.134%0.3440%0.396SS..Hα-helixtrans-61-38.9-174.3-74.4171.1000114F861 L865 F891 F896 F897F861-L893 HydrophobicContact CE2-CD1 4.23Å; F861-L893 HydrophobicContact CE2-CD2 3.99Å; F861-L893 HydrophobicContact CZ-CD1 3.85Å; F861-L893 HydrophobicContact CZ-CD2 3.68Å; F861-L893 HydrophobicContact CZ-CG 4.11Å; L865-L893 HydrophobicContact CD2-CD2 3.77Å; F891-L893 VanDerWaalsContact C-N 3.31Å; F891-L893 HydrophobicContact CD1-CD2 4.2Å; F891-L893 PolarHBondContact O-N 3.15Å; L893-F896 PolarHBondContact O-N 3.06Å; L893-F897 HydrophobicContact CD2-CE2 3.95Å; L893-F897 WeakPolarHBondContact O-CD2 3.11Å; L893-F897 PolarHBondContact O-N 2.75Å
894E90Very high90.7Very high163 Ų16375.3 Ų75.376%0.76241%0.412SS*.Hα-helixtrans-62.4-56.1179.3-72.8-179170.400110.6P892 F896 F897 D898P892-E894 PolarHBondContact O-N 3.26Å; E894-F896 PolarHBondContact O-N 3.2Å; E894-F897 PolarHBondContact O-N 3.16Å; E894-D898 WeakPolarHBondContact O-CB 2.96Å; E894-D898 PolarHBondContact O-N 3.03Å
895D91.6Very high90.7Very high95 Ų9578.8 Ų78.851%0.50842%0.417SS..Hα-helixtrans-57-36.8176.8-68.8-18.8000112.5W873 P892 R899W873-D895 HydrophobicContact CH2-CB 4.03Å; W873-D895 HydrophobicContact CZ3-CB 4.42Å; P892-D895 HydrophobicContact CB-CB 4.36Å; D895-R899 WeakPolarHBondContact O-CG 3.32Å; D895-R899 PolarHBondContact O-N 3.2Å; D895-R899 VanDerWaalsContact O-N 3.11Å
896F93.5Very high90.7Very high0 Ų077.7 Ų77.70%042%0.417CS..Hα-helixtrans-63-50.5178.9176.7-90.2000111.9L865 F868 L869 P870 W873 F891 P892 L893 E894 Y900L865-F896 HydrophobicContact CD2-CD1 4.4Å; L865-F896 HydrophobicContact CD2-CE1 4.16Å; L865-F896 HydrophobicContact CD2-CZ 4.24Å; L865-F896 VanDerWaalsContact O-CZ 3.29Å; L865-F896 WeakPolarHBondContact O-CZ 3.47Å; F868-F896 HydrophobicContact CB-CE1 3.68Å; F868-F896 HydrophobicContact CB-CZ 4.04Å; F868-F896 WeakPolarHBondContact O-CE1 3.38Å; F868-F896 WeakPolarHBondContact O-CZ 3.07Å; L869-F896 HydrophobicContact CD1-CE2 3.81Å; P870-F896 VanDerWaalsContact CD-CE2 3.42Å; P870-F896 HydrophobicContact CG-CD2 4.37Å; P870-F896 HydrophobicContact CG-CE2 4.43Å; P870-F896 WeakPolarHBondContact CG-O 3.37Å; W873-F896 AromaticContact CD2-CD2 3.82Å; W873-F896 HydrophobicContact CD2-CD2 3.82Å; W873-F896 HydrophobicContact CD2-CE2 4.49Å; W873-F896 AromaticContact CE2-CD2 3.66Å; W873-F896 HydrophobicContact CE3-CD2 4.23Å; W873-F896 HydrophobicContact CG-CD2 4.25Å; W873-F896 HydrophobicContact CG-CE2 4.46Å; W873-F896 VanDerWaalsContact CH2-CA 3.46Å; W873-F896 HydrophobicContact CH2-CB 3.75Å; W873-F896 HydrophobicContact CH2-CD2 4.36Å; W873-F896 HydrophobicContact CZ2-CB 3.96Å; W873-F896 AromaticContact CZ2-CD2 3.95Å; W873-F896 HydrophobicContact CZ2-CD2 3.95Å; W873-F896 HydrophobicContact CZ2-CG 4.47Å; W873-F896 VanDerWaalsContact CZ3-CA 3.43Å; W873-F896 HydrophobicContact CZ3-CB 4.13Å; W873-F896 AromaticContact NE1-CD2 3.92Å; F891-F896 HydrophobicContact CE1-CB 3.99Å; F891-F896 AromaticContact CE1-CD2 3.56Å; F891-F896 HydrophobicContact CE1-CD2 3.56Å; F891-F896 HydrophobicContact CE1-CE2 4.14Å; F891-F896 AromaticContact CE1-CG 3.82Å; F891-F896 HydrophobicContact CE1-CG 3.82Å; F891-F896 AromaticContact CZ-CD2 3.82Å; F891-F896 HydrophobicContact CZ-CD2 3.82Å; F891-F896 HydrophobicContact CZ-CE2 4.12Å; P892-F896 VanDerWaalsContact O-CB 3.29Å; P892-F896 WeakPolarHBondContact O-CB 3.49Å; P892-F896 PolarHBondContact O-N 3.07Å; L893-F896 PolarHBondContact O-N 3.06Å; E894-F896 PolarHBondContact O-N 3.2Å; F896-Y900 PolarHBondContact O-N 3.27Å; F896-Y900 VanDerWaalsContact O-N 3.14Å
897F93.5Very high90.7Very high81 Ų8178.1 Ų78.136%0.35541%0.412SS..Hα-helixtrans-74.7-29.4179.7-73.2-63.1000112.8F868 L893 E894 Y900 E901F868-F897 HydrophobicContact CB-CE1 3.81Å; F868-F897 HydrophobicContact CD1-CE1 4.41Å; F868-F897 HydrophobicContact CD2-CE1 4.17Å; F868-F897 AromaticContact CG-CE1 3.89Å; F868-F897 HydrophobicContact CG-CE1 3.89Å; L893-F897 HydrophobicContact CD2-CE2 3.95Å; L893-F897 WeakPolarHBondContact O-CD2 3.11Å; L893-F897 PolarHBondContact O-N 2.75Å; E894-F897 PolarHBondContact O-N 3.16Å; F897-Y900 PolarHBondContact O-N 3.46Å; F897-E901 WeakPolarHBondContact O-CB 3.35Å; F897-E901 PolarHBondContact O-N 3.04Å
898D90.9Very high90.4Very high83 Ų8379.9 Ų79.944%0.44442%0.421SS..Hα-helixtrans-62.3-44.1172.8-80.6-4.2000111.7E894 E901 Q902E894-D898 WeakPolarHBondContact O-CB 2.96Å; E894-D898 PolarHBondContact O-N 3.03Å; D898-E901 PolarHBondContact O-N 2.84Å; D898-Q902 VanDerWaalsContact O-CG 3.3Å; D898-Q902 WeakPolarHBondContact O-CG 3.4Å; D898-Q902 PolarHBondContact O-N 3.34Å
899R90.7Very high90.2Very high112 Ų11281.7 Ų81.742%0.42344%0.438SS..Hα-helixtrans-67.9-37.8175.5-71.3-161.4-162.1-175.52.1112.4P870 E872 W873 D895 Q902 G903P870-R899 HydrophobicContact CB-CB 4.03Å; P870-R899 HydrophobicContact CG-CB 3.95Å; E872-R899 PolarHBondContact O-NH1 2.95Å; W873-R899 HydrophobicContact CE3-CB 4.4Å; W873-R899 HydrophobicContact CE3-CG 4.46Å; W873-R899 HydrophobicContact CZ3-CB 4.42Å; W873-R899 HydrophobicContact CZ3-CG 4.19Å; D895-R899 WeakPolarHBondContact O-CG 3.32Å; D895-R899 PolarHBondContact O-N 3.2Å; D895-R899 VanDerWaalsContact O-N 3.11Å; R899-Q902 PolarHBondContact O-N 2.93Å; R899-G903 PolarHBondContact O-N 3.36Å
900Y91.6Very high90.2Very high68 Ų6880.3 Ų80.327%0.26742%0.42SS..Hα-helixtrans-59.7-47.3174.2-179.2-101.6000110.9F868 F896 F897 Q902 G903 L904F868-Y900 AromaticContact CD1-CE1 3.94Å; F868-Y900 HydrophobicContact CD1-CE1 3.94Å; F868-Y900 HydrophobicContact CD1-CE2 4.24Å; F868-Y900 AromaticContact CD1-CZ 3.81Å; F868-Y900 HydrophobicContact CE1-CE1 4.49Å; F868-Y900 WeakPolarHBondContact O-CD2 3.31Å; F896-Y900 PolarHBondContact O-N 3.27Å; F896-Y900 VanDerWaalsContact O-N 3.14Å; F897-Y900 PolarHBondContact O-N 3.46Å; Y900-Q902 PolarHBondContact O-N 2.89Å; Y900-G903 PolarHBondContact O-N 3.37Å; Y900-L904 HydrophobicContact CD1-CD1 3.94Å; Y900-L904 HydrophobicContact CE1-CD1 3.39Å; Y900-L904 HydrophobicContact CE1-CG 4.14Å; Y900-L904 PolarHBondContact O-N 2.78Å
901E90.8Very high89.9Confident85 Ų8581.5 Ų81.540%0.39742%0.415SS..Hα-helixtrans-64.4-40.1178.5-162.6-168-165.400112.2F897 D898 L904 R905F897-E901 WeakPolarHBondContact O-CB 3.35Å; F897-E901 PolarHBondContact O-N 3.04Å; D898-E901 PolarHBondContact O-N 2.84Å; E901-L904 PolarHBondContact O-N 2.88Å; E901-R905 WeakPolarHBondContact O-CG 3.45Å; E901-R905 PolarHBondContact O-N 3.08Å; E901-R905 IonicContact OE1-CZ 3.35Å; E901-R905 VanDerWaalsContact OE1-CZ 3.26Å; E901-R905 IonicContact OE1-NH1 3.35Å; E901-R905 PolarHBondContact OE1-NH1 3.09Å; E901-R905 IonicContact OE1-NH2 3.38Å; E901-R905 PolarHBondContact OE1-NH2 2.91Å; E901-R905 IonicContact OE2-CZ 3.92Å; E901-R905 IonicContact OE2-NH1 2.68Å; E901-R905 PolarHBondContact OE2-NH1 3.07Å; E901-R905 IonicContact OE2-NH2 3.55Å; E901-R905 PolarHBondContact OE2-NH2 3.11Å
902Q89.8Confident89.6Confident123 Ų12386.3 Ų86.358%0.57544%0.438SS*.Hα-helixtrans-61-42.4173.4-74.4172.430.800112.1D898 R899 Y900 R905 S906D898-Q902 VanDerWaalsContact O-CG 3.3Å; D898-Q902 WeakPolarHBondContact O-CG 3.4Å; D898-Q902 PolarHBondContact O-N 3.34Å; R899-Q902 PolarHBondContact O-N 2.93Å; Y900-Q902 PolarHBondContact O-N 2.89Å; Q902-R905 PolarHBondContact O-N 3.4Å; Q902-S906 PolarHBondContact O-N 3.33Å
903G88.5Confident89.4Confident33 Ų3389.7 Ų89.734%0.3445%0.448SS..Hα-helixtrans-59.7-4517500000112.3R899 Y900 S906 L907R899-G903 PolarHBondContact O-N 3.36Å; Y900-G903 PolarHBondContact O-N 3.37Å; G903-S906 PolarHBondContact O-N 3.1Å; G903-L907 WeakPolarHBondContact O-CB 3.44Å; G903-L907 PolarHBondContact O-N 3.47Å
904L88Confident89.1Confident80 Ų8091.6 Ų91.642%0.41946%0.455SS..Hα-helixtrans-62.4-44.1175.2-71.7177.8000112.5Y900 E901 S906 L907 L908Y900-L904 HydrophobicContact CD1-CD1 3.94Å; Y900-L904 HydrophobicContact CE1-CD1 3.39Å; Y900-L904 HydrophobicContact CE1-CG 4.14Å; Y900-L904 PolarHBondContact O-N 2.78Å; E901-L904 PolarHBondContact O-N 2.88Å; L904-S906 VanDerWaalsContact C-N 3.33Å; L904-S906 PolarHBondContact O-N 3.44Å; L904-L907 PolarHBondContact O-N 2.92Å; L904-L908 WeakPolarHBondContact O-CB 3.45Å; L904-L908 PolarHBondContact O-N 3.44Å
905R89.2Confident89Confident145 Ų14588.4 Ų88.455%0.54745%0.447SS..Hα-helixtrans-61.2-41.5176.3-75-174.7177.6110.94.9112.1E901 Q902 L908 A909E901-R905 WeakPolarHBondContact O-CG 3.45Å; E901-R905 PolarHBondContact O-N 3.08Å; E901-R905 IonicContact OE1-CZ 3.35Å; E901-R905 VanDerWaalsContact OE1-CZ 3.26Å; E901-R905 IonicContact OE1-NH1 3.35Å; E901-R905 PolarHBondContact OE1-NH1 3.09Å; E901-R905 IonicContact OE1-NH2 3.38Å; E901-R905 PolarHBondContact OE1-NH2 2.91Å; E901-R905 IonicContact OE2-CZ 3.92Å; E901-R905 IonicContact OE2-NH1 2.68Å; E901-R905 PolarHBondContact OE2-NH1 3.07Å; E901-R905 IonicContact OE2-NH2 3.55Å; E901-R905 PolarHBondContact OE2-NH2 3.11Å; Q902-R905 PolarHBondContact O-N 3.4Å; R905-L908 PolarHBondContact O-N 3.28Å; R905-A909 WeakPolarHBondContact O-CB 3.41Å; R905-A909 PolarHBondContact O-N 3.5Å
906S87.7Confident88.7Confident75 Ų7590.5 Ų90.552%0.52445%0.451SS..Hα-helixtrans-64.6-46177.6-171.40000111.5Q902 G903 L904 L908 A909 T910Q902-S906 PolarHBondContact O-N 3.33Å; G903-S906 PolarHBondContact O-N 3.1Å; L904-S906 VanDerWaalsContact C-N 3.33Å; L904-S906 PolarHBondContact O-N 3.44Å; S906-L908 VanDerWaalsContact C-N 3.32Å; S906-L908 PolarHBondContact O-N 2.96Å; S906-A909 PolarHBondContact O-N 3.14Å; S906-T910 PolarHBondContact O-N 2.95Å; S906-T910 PolarHBondContact O-OG1 3.44Å; S906-T910 VanDerWaalsContact O-OG1 3.13Å
907L87Confident88.4Confident94 Ų9494.7 Ų94.749%0.49247%0.473SS..Hα-helixtrans-59.8-43.9177.9-176.664.3000111.3G903 L904 A909 T910 F911G903-L907 WeakPolarHBondContact O-CB 3.44Å; G903-L907 PolarHBondContact O-N 3.47Å; L904-L907 PolarHBondContact O-N 2.92Å; L907-A909 VanDerWaalsContact C-N 3.33Å; L907-A909 PolarHBondContact O-N 3.02Å; L907-T910 WeakPolarHBondContact O-CB 3.47Å; L907-T910 PolarHBondContact O-N 3.15Å; L907-F911 HydrophobicContact CD1-CD2 4.13Å; L907-F911 HydrophobicContact CD1-CE2 3.65Å; L907-F911 HydrophobicContact CD1-CZ 4.48Å; L907-F911 HydrophobicContact CD2-CE2 4.17Å; L907-F911 HydrophobicContact CG-CD2 3.93Å; L907-F911 HydrophobicContact CG-CE2 3.66Å; L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.47Å; L907-F911 PolarHBondContact O-N 3.36Å
908L86.5Confident88Confident103 Ų10394.7 Ų94.754%0.53948%0.482SS..Hα-helixtrans-65.1-37179-153.6130.4000112.1L904 R905 S906 Q912L904-L908 WeakPolarHBondContact O-CB 3.45Å; L904-L908 PolarHBondContact O-N 3.44Å; R905-L908 PolarHBondContact O-N 3.28Å; S906-L908 VanDerWaalsContact C-N 3.32Å; S906-L908 PolarHBondContact O-N 2.96Å; L908-Q912 VanDerWaalsContact O-CG 3.29Å; L908-Q912 WeakPolarHBondContact O-CG 3.43Å; L908-Q912 PolarHBondContact O-N 3.3Å
909A87.3Confident87.6Confident50 Ų5093.8 Ų93.841%0.41348%0.482SS..Hα-helixtrans-65.8-39173.500000112.4R905 S906 L907 Q912 Q913R905-A909 WeakPolarHBondContact O-CB 3.41Å; R905-A909 PolarHBondContact O-N 3.5Å; S906-A909 PolarHBondContact O-N 3.14Å; L907-A909 VanDerWaalsContact C-N 3.33Å; L907-A909 PolarHBondContact O-N 3.02Å; A909-Q912 PolarHBondContact O-N 3.4Å; A909-Q913 PolarHBondContact O-N 3.23Å; A909-Q913 VanDerWaalsContact O-N 3.07Å
910T87.6Confident87.4Confident62 Ų6293 Ų9338%0.3849%0.486SS..Hα-helixtrans-62.5-48.8174.8-55.70000111.2S906 L907 Q912 Q913 E914S906-T910 PolarHBondContact O-N 2.95Å; S906-T910 PolarHBondContact O-OG1 3.44Å; S906-T910 VanDerWaalsContact O-OG1 3.13Å; L907-T910 WeakPolarHBondContact O-CB 3.47Å; L907-T910 PolarHBondContact O-N 3.15Å; T910-Q912 PolarHBondContact O-N 2.95Å; T910-Q913 WeakPolarHBondContact O-CB 3.43Å; T910-Q913 PolarHBondContact O-N 3.07Å; T910-Q913 VanDerWaalsContact O-N 3.13Å; T910-E914 PolarHBondContact O-N 2.76Å
911F86.5Confident87.2Confident111 Ų11198.2 Ų98.249%0.48751%0.505SS..Hα-helixtrans-58.8-44.6176.4-81.5-63.7000112.2L907 Q913 E914 T915L907-F911 HydrophobicContact CD1-CD2 4.13Å; L907-F911 HydrophobicContact CD1-CE2 3.65Å; L907-F911 HydrophobicContact CD1-CZ 4.48Å; L907-F911 HydrophobicContact CD2-CE2 4.17Å; L907-F911 HydrophobicContact CG-CD2 3.93Å; L907-F911 HydrophobicContact CG-CE2 3.66Å; L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.47Å; L907-F911 PolarHBondContact O-N 3.36Å; F911-Q913 VanDerWaalsContact C-N 3.28Å; F911-Q913 PolarHBondContact O-N 3.01Å; F911-E914 PolarHBondContact O-N 3.46Å; F911-T915 PolarHBondContact O-N 2.8Å; F911-T915 PolarHBondContact O-OG1 3.02Å
912Q86.5Confident87Confident124 Ų12497.9 Ų97.958%0.57951%0.506SS*.Hα-helixtrans-59.4-38.4176.5-75.7176.2-9.100112.7L908 A909 T910 K916L908-Q912 VanDerWaalsContact O-CG 3.29Å; L908-Q912 WeakPolarHBondContact O-CG 3.43Å; L908-Q912 PolarHBondContact O-N 3.3Å; A909-Q912 PolarHBondContact O-N 3.4Å; T910-Q912 PolarHBondContact O-N 2.95Å; Q912-K916 WeakPolarHBondContact O-CB 3.27Å; Q912-K916 PolarHBondContact O-N 3.38Å; Q912-K916 VanDerWaalsContact O-N 3.07Å
913Q87.6Confident86.7Confident132 Ų13295.9 Ų95.962%0.61750%0.502SS*.Hα-helixtrans-68.2-42.7177-173.5173.22.100111.8A909 T910 F911 K916 I917A909-Q913 PolarHBondContact O-N 3.23Å; A909-Q913 VanDerWaalsContact O-N 3.07Å; T910-Q913 WeakPolarHBondContact O-CB 3.43Å; T910-Q913 PolarHBondContact O-N 3.07Å; T910-Q913 VanDerWaalsContact O-N 3.13Å; F911-Q913 VanDerWaalsContact C-N 3.28Å; F911-Q913 PolarHBondContact O-N 3.01Å; Q913-K916 PolarHBondContact O-N 2.96Å; Q913-I917 HydrophobicContact CG-CD1 4.34Å; Q913-I917 WeakPolarHBondContact O-CG1 3.4Å; Q913-I917 PolarHBondContact O-N 2.94Å
914E87.1Confident86.6Confident105 Ų105100.3 Ų100.349%0.49151%0.514SS..Hα-helixtrans-64.9-43.3176-71-179.6172.400112T910 F911 K916 I917 C918T910-E914 PolarHBondContact O-N 2.76Å; F911-E914 PolarHBondContact O-N 3.46Å; E914-K916 VanDerWaalsContact C-N 3.29Å; E914-K916 PolarHBondContact O-N 3.47Å; E914-I917 PolarHBondContact O-N 3.04Å; E914-C918 PolarHBondContact O-N 3.02Å
915T86.2Confident86.5Confident95 Ų95101.4 Ų101.458%0.58352%0.52SS*.Hα-helixtrans-57.8-42.7174-540000111.3F911 C918 S919F911-T915 PolarHBondContact O-N 2.8Å; F911-T915 PolarHBondContact O-OG1 3.02Å; T915-C918 PolarHBondContact O-N 3.07Å; T915-S919 WeakPolarHBondContact O-CB 3.36Å; T915-S919 PolarHBondContact O-N 3.44Å
916K86.3Confident86.3Confident140 Ų14097.2 Ų97.261%0.60950%0.504SS*.Hα-helixtrans-62.5-45.6176.9-172179.1178.5-177.50112Q912 Q913 E914 C918 S919 D920Q912-K916 WeakPolarHBondContact O-CB 3.27Å; Q912-K916 PolarHBondContact O-N 3.38Å; Q912-K916 VanDerWaalsContact O-N 3.07Å; Q913-K916 PolarHBondContact O-N 2.96Å; E914-K916 VanDerWaalsContact C-N 3.29Å; E914-K916 PolarHBondContact O-N 3.47Å; K916-C918 VanDerWaalsContact C-N 3.34Å; K916-C918 PolarHBondContact O-N 3.38Å; K916-S919 PolarHBondContact O-N 3.08Å; K916-D920 VanDerWaalsContact O-CG 3.32Å; K916-D920 PolarHBondContact O-N 3.48Å
917I87Confident86.1Confident87 Ų8799.8 Ų99.845%0.44651%0.506SS..Hα-helixtrans-61.1-43177.2-68166.5000111.1Q913 E914 D920 R921Q913-I917 HydrophobicContact CG-CD1 4.34Å; Q913-I917 WeakPolarHBondContact O-CG1 3.4Å; Q913-I917 PolarHBondContact O-N 2.94Å; E914-I917 PolarHBondContact O-N 3.04Å; I917-D920 PolarHBondContact O-N 2.84Å; I917-R921 WeakPolarHBondContact O-CG 3.38Å; I917-R921 PolarHBondContact O-N 3.35Å; I917-R921 VanDerWaalsContact O-N 3.08Å
918C84.6Confident86.1Confident82 Ų8299.3 Ų99.355%0.55450%0.504SS*.Hα-helixtrans-64.3-42176.3-77.20000112.2E914 T915 K916 R921 L922E914-C918 PolarHBondContact O-N 3.02Å; T915-C918 PolarHBondContact O-N 3.07Å; K916-C918 VanDerWaalsContact C-N 3.34Å; K916-C918 PolarHBondContact O-N 3.38Å; C918-R921 PolarHBondContact O-N 3.41Å; C918-L922 WeakPolarHBondContact O-CB 3.46Å; C918-L922 PolarHBondContact O-N 3.48Å
919S83.6Confident86Confident63 Ų6396.4 Ų96.444%0.44149%0.491SS..Hα-helixtrans-61.8-43.5176.1-176.50000112.4T915 K916 L922 T923T915-S919 WeakPolarHBondContact O-CB 3.36Å; T915-S919 PolarHBondContact O-N 3.44Å; K916-S919 PolarHBondContact O-N 3.08Å; S919-L922 PolarHBondContact O-N 3.09Å; S919-T923 PolarHBondContact O-N 3.49Å; S919-T923 PolarHBondContact O-OG1 3.37Å
920D85.2Confident85.7Confident95 Ų9594.6 Ų94.651%0.50848%0.475SS..Hα-helixtrans-63.9-43.1178-69.7-17.2000110.9K916 I917 T923 E924K916-D920 VanDerWaalsContact O-CG 3.32Å; K916-D920 PolarHBondContact O-N 3.48Å; I917-D920 PolarHBondContact O-N 2.84Å; D920-T923 WeakPolarHBondContact O-CB 3.19Å; D920-T923 PolarHBondContact O-N 2.7Å; D920-E924 PolarHBondContact O-N 3.19Å
921R87.6Confident85.5Confident178 Ų17895 Ų9567%0.67247%0.473SS*.Hα-helixtrans-62.7-41.7175-78.1178.7133.9-173.9-3.6113.3I917 C918 T923 E924 L925I917-R921 WeakPolarHBondContact O-CG 3.38Å; I917-R921 PolarHBondContact O-N 3.35Å; I917-R921 VanDerWaalsContact O-N 3.08Å; C918-R921 PolarHBondContact O-N 3.41Å; R921-T923 VanDerWaalsContact C-N 3.29Å; R921-T923 PolarHBondContact O-N 3.24Å; R921-E924 PolarHBondContact O-N 3.16Å; R921-L925 WeakPolarHBondContact O-CB 3.47Å; R921-L925 PolarHBondContact O-N 3Å
922L86.7Confident85.4Confident79 Ų7994.7 Ų94.741%0.41448%0.475SS..Hα-helixtrans-64.1-38.3177.5-176.363.7000111.2C918 S919 L925 R926C918-L922 WeakPolarHBondContact O-CB 3.46Å; C918-L922 PolarHBondContact O-N 3.48Å; S919-L922 PolarHBondContact O-N 3.09Å; L922-L925 PolarHBondContact O-N 3.21Å; L922-R926 WeakPolarHBondContact O-CG 3.41Å; L922-R926 PolarHBondContact O-N 2.91Å
923T84.3Confident85.1Confident81 Ų8189.8 Ų89.850%0.49745%0.453SS..Hα-helixtrans-64.3-44.6175.8-54.60000111.4S919 D920 R921 R926 F927S919-T923 PolarHBondContact O-N 3.49Å; S919-T923 PolarHBondContact O-OG1 3.37Å; D920-T923 WeakPolarHBondContact O-CB 3.19Å; D920-T923 PolarHBondContact O-N 2.7Å; R921-T923 VanDerWaalsContact C-N 3.29Å; R921-T923 PolarHBondContact O-N 3.24Å; T923-R926 PolarHBondContact O-N 3.17Å; T923-F927 PolarHBondContact O-N 3.38Å
924E85.7Confident84.7Confident125 Ų12588.5 Ų88.558%0.58445%0.445SS*.Hα-helixtrans-62.5-41.2175.1-172.1-179.8-172.300112.2D920 R921 F927 N928D920-E924 PolarHBondContact O-N 3.19Å; R921-E924 PolarHBondContact O-N 3.16Å; E924-F927 WeakPolarHBondContact O-CB 3.09Å; E924-F927 PolarHBondContact O-N 3.12Å; E924-N928 PolarHBondContact O-N 2.8Å; E924-N928 PolarHBondContact O-ND2 3.39Å
925L86.4Confident84.5Confident104 Ų10491.1 Ų91.155%0.54546%0.455SS..Hα-helixtrans-62.3-46.8176.4-174.468.2000111.7R921 L922 F927 N928 V929R921-L925 WeakPolarHBondContact O-CB 3.47Å; R921-L925 PolarHBondContact O-N 3Å; L922-L925 PolarHBondContact O-N 3.21Å; L925-F927 VanDerWaalsContact C-N 3.31Å; L925-F927 PolarHBondContact O-N 2.7Å; L925-N928 WeakPolarHBondContact O-CB 3.48Å; L925-N928 PolarHBondContact O-N 3.43Å; L925-V929 WeakPolarHBondContact O-CG2 3.4Å; L925-V929 PolarHBondContact O-N 2.95Å
926R85.7Confident84.2Confident56 Ų5695.3 Ų95.321%0.21146%0.461CS..Hα-helixtrans-59.3-41.9176.7-76.3169.4170.1157.4-2.1111.7L922 T923 N928 V929 C930 G947 V950 D951L922-R926 WeakPolarHBondContact O-CG 3.41Å; L922-R926 PolarHBondContact O-N 2.91Å; T923-R926 PolarHBondContact O-N 3.17Å; R926-N928 PolarHBondContact O-N 3.47Å; R926-V929 PolarHBondContact O-N 3.49Å; R926-C930 PolarHBondContact O-N 3Å; R926-C930 PolarHBondContact O-SG 2.91Å; R926-G947 PolarHBondContact NE-O 2.57Å; R926-V950 HydrophobicContact CB-CG1 4.25Å; R926-V950 HydrophobicContact CG-CG1 4.25Å; R926-D951 IonicContact CZ-OD1 3.48Å; R926-D951 IonicContact CZ-OD2 3.95Å; R926-D951 IonicContact NE-OD1 3.22Å; R926-D951 PolarHBondContact NE-OD1 3.06Å; R926-D951 IonicContact NE-OD2 3.13Å; R926-D951 IonicContact NH2-OD1 3.35Å; R926-D951 IonicContact NH2-OD2 2.81Å; R926-D951 PolarHBondContact NH2-OD2 3.21Å
927F83.5Confident83.6Confident129 Ų12989.6 Ų89.657%0.56644%0.437SS*.Hα-helixtrans-59.2-46.7173.9-179-93.8000112.2T923 E924 L925 V929 C930 E931T923-F927 PolarHBondContact O-N 3.38Å; E924-F927 WeakPolarHBondContact O-CB 3.09Å; E924-F927 PolarHBondContact O-N 3.12Å; L925-F927 VanDerWaalsContact C-N 3.31Å; L925-F927 PolarHBondContact O-N 2.7Å; F927-V929 VanDerWaalsContact C-N 3.3Å; F927-V929 PolarHBondContact O-N 2.99Å; F927-C930 PolarHBondContact O-N 3.06Å; F927-E931 HydrophobicContact CD1-CG 4.4Å; F927-E931 HydrophobicContact CE1-CG 3.94Å; F927-E931 HydrophobicContact CZ-CG 4.17Å; F927-E931 PolarHBondContact O-N 3Å
928N85.6Confident83Confident84 Ų8491.6 Ų91.645%0.44946%0.456SS..Hα-helixtrans-61.7-37.3177.1-71.6-30.9000112.5E924 L925 R926 E931 L932E924-N928 PolarHBondContact O-N 2.8Å; E924-N928 PolarHBondContact O-ND2 3.39Å; L925-N928 WeakPolarHBondContact O-CB 3.48Å; L925-N928 PolarHBondContact O-N 3.43Å; R926-N928 PolarHBondContact O-N 3.47Å; N928-E931 PolarHBondContact O-N 3.3Å; N928-L932 PolarHBondContact O-N 3.04Å
929V84.6Confident82.5Confident43 Ų4391 Ų9126%0.26145%0.453SS..Hα-helixtrans-67.3-42.3175.91760000111.4L925 R926 F927 E931 L932 L933 I954L925-V929 WeakPolarHBondContact O-CG2 3.4Å; L925-V929 PolarHBondContact O-N 2.95Å; R926-V929 PolarHBondContact O-N 3.49Å; F927-V929 VanDerWaalsContact C-N 3.3Å; F927-V929 PolarHBondContact O-N 2.99Å; V929-E931 VanDerWaalsContact C-N 3.32Å; V929-E931 PolarHBondContact O-N 3.49Å; V929-L932 WeakPolarHBondContact O-CB 3.5Å; V929-L932 PolarHBondContact O-N 3.46Å; V929-L932 VanDerWaalsContact O-N 3.11Å; V929-L933 HydrophobicContact CG1-CD1 4.03Å; V929-L933 HydrophobicContact CG1-CG 4.27Å; V929-L933 WeakPolarHBondContact O-CG 3.47Å; V929-L933 PolarHBondContact O-N 3.36Å; V929-I954 HydrophobicContact CB-CD1 4.5Å; V929-I954 HydrophobicContact CG1-CD1 3.6Å; V929-I954 HydrophobicContact CG1-CG1 4.07Å
930C81.9Confident82Confident11 Ų1189.1 Ų89.17%0.07444%0.437CS..Hα-helixtrans-59.4-41.8173.9-70.30000112.4R926 F927 L932 L933 K934 F940 V950R926-C930 PolarHBondContact O-N 3Å; R926-C930 PolarHBondContact O-SG 2.91Å; F927-C930 PolarHBondContact O-N 3.06Å; C930-L932 VanDerWaalsContact C-N 3.29Å; C930-L932 PolarHBondContact O-N 3.25Å; C930-L933 PolarHBondContact O-N 3.4Å; C930-K934 WeakPolarHBondContact O-CG 3.3Å; C930-K934 PolarHBondContact O-N 3.42Å; C930-K934 VanDerWaalsContact O-N 3.07Å; C930-F940 HydrophobicContact CB-CZ 4.41Å; C930-V950 WeakPolarHBondContact SG-CG2 3.2Å
931E82.7Confident81.2Confident72 Ų7290.6 Ų90.634%0.33645%0.45SS..Hα-helixtrans-64.9-33174.8-74.7-64112.400112.6F927 N928 V929 K934F927-E931 HydrophobicContact CD1-CG 4.4Å; F927-E931 HydrophobicContact CE1-CG 3.94Å; F927-E931 HydrophobicContact CZ-CG 4.17Å; F927-E931 PolarHBondContact O-N 3Å; N928-E931 PolarHBondContact O-N 3.3Å; V929-E931 VanDerWaalsContact C-N 3.32Å; V929-E931 PolarHBondContact O-N 3.49Å; E931-K934 IonicContact OE1-NZ 3.52Å; E931-K934 PolarHBondContact OE1-NZ 3.18Å
932L83.9Confident80.1Confident104 Ų10489 Ų8955%0.54545%0.45SS..Hα-helixtrans-69.1-47173.4-150.489.8000111.1N928 V929 C930 K934 K935 Y936N928-L932 PolarHBondContact O-N 3.04Å; V929-L932 WeakPolarHBondContact O-CB 3.5Å; V929-L932 PolarHBondContact O-N 3.46Å; V929-L932 VanDerWaalsContact O-N 3.11Å; C930-L932 VanDerWaalsContact C-N 3.29Å; C930-L932 PolarHBondContact O-N 3.25Å; L932-K934 VanDerWaalsContact C-N 3.32Å; L932-K934 PolarHBondContact O-N 3Å; L932-K935 WeakPolarHBondContact O-CB 3.35Å; L932-K935 PolarHBondContact O-N 3.25Å; L932-Y936 HydrophobicContact CG-CD2 4.26Å; L932-Y936 HydrophobicContact CG-CE2 4.34Å; L932-Y936 WeakPolarHBondContact O-CD2 3.38Å; L932-Y936 PolarHBondContact O-N 3.43Å
933L81.3Confident78.8Confident21 Ų2190 Ų9011%0.1146%0.461CS..Hα-helixtrans-59.9-40.1-179.8-74170.7000112.1V929 C930 K935 Y936 D937 F940 Y953 I954V929-L933 HydrophobicContact CG1-CD1 4.03Å; V929-L933 HydrophobicContact CG1-CG 4.27Å; V929-L933 WeakPolarHBondContact O-CG 3.47Å; V929-L933 PolarHBondContact O-N 3.36Å; C930-L933 PolarHBondContact O-N 3.4Å; L933-K935 PolarHBondContact O-N 3.12Å; L933-K935 VanDerWaalsContact O-N 3.09Å; L933-Y936 PolarHBondContact O-N 3.43Å; L933-Y936 VanDerWaalsContact O-N 3.14Å; L933-D937 PolarHBondContact O-N 2.94Å; L933-F940 HydrophobicContact CB-CD1 4.23Å; L933-F940 HydrophobicContact CB-CD2 4.28Å; L933-F940 HydrophobicContact CB-CE1 4.43Å; L933-F940 HydrophobicContact CB-CE2 4.46Å; L933-F940 HydrophobicContact CB-CG 4.15Å; L933-F940 HydrophobicContact CD1-CD2 4.46Å; L933-F940 HydrophobicContact CD1-CE2 4.16Å; L933-Y953 HydrophobicContact CD1-CD1 3.71Å; L933-Y953 HydrophobicContact CD1-CE1 3.81Å; L933-Y953 HydrophobicContact CD2-CE1 4.09Å; L933-Y953 HydrophobicContact CG-CE1 4.48Å; L933-I954 HydrophobicContact CD1-CG1 4.49Å
934K79.8Confident77.8Confident105 Ų10588.3 Ų88.346%0.45745%0.449SS..Hα-helixtrans-55.3-26.8173-75.2176-172169.60114C930 E931 L932 F940C930-K934 WeakPolarHBondContact O-CG 3.3Å; C930-K934 PolarHBondContact O-N 3.42Å; C930-K934 VanDerWaalsContact O-N 3.07Å; E931-K934 IonicContact OE1-NZ 3.52Å; E931-K934 PolarHBondContact OE1-NZ 3.18Å; L932-K934 VanDerWaalsContact C-N 3.32Å; L932-K934 PolarHBondContact O-N 3Å; K934-F940 HydrophobicContact CG-CD1 3.72Å; K934-F940 HydrophobicContact CG-CE1 3.89Å
935K82.4Confident76.7Confident160 Ų16088 Ų8870%0.69646%0.46SS*.Hα-helixtrans-87.3-28.5-179.4-68.1178.3-177.5173.30113.3L932 L933L932-K935 WeakPolarHBondContact O-CB 3.35Å; L932-K935 PolarHBondContact O-N 3.25Å; L933-K935 PolarHBondContact O-N 3.12Å; L933-K935 VanDerWaalsContact O-N 3.09Å
936Y79.6Confident76Confident183 Ų18386.8 Ų86.872%0.71845%0.454SS*.Hα-helixtrans-116.3-20.9-167.1-72.2-80.9000114.6L932 L933L932-Y936 HydrophobicContact CG-CD2 4.26Å; L932-Y936 HydrophobicContact CG-CE2 4.34Å; L932-Y936 WeakPolarHBondContact O-CD2 3.38Å; L932-Y936 PolarHBondContact O-N 3.43Å; L933-Y936 PolarHBondContact O-N 3.43Å; L933-Y936 VanDerWaalsContact O-N 3.14Å
937D74.6Confident75.3Confident19 Ų1984.9 Ų84.910%0.10245%0.452CS..  trans-113.4106.1176.2-169.6-12.5000111.4L933 S939 F940 Y953 F957L933-D937 PolarHBondContact O-N 2.94Å; D937-S939 PolarHBondContact O-N 3.21Å; D937-S939 VanDerWaalsContact O-N 3.09Å; D937-S939 WeakPolarHBondContact OD1-CA 3.49Å; D937-S939 VanDerWaalsContact OD1-CB 3.29Å; D937-S939 WeakPolarHBondContact OD1-CB 3.5Å; D937-S939 PolarHBondContact OD1-N 3.4Å; D937-S939 PolarHBondContact OD1-OG 2.85Å; D937-S939 PolarHBondContact OD2-OG 3.23Å; D937-S939 VanDerWaalsContact OD2-OG 3.06Å; D937-F940 HydrophobicContact CB-CB 4.23Å; D937-F940 WeakPolarHBondContact O-CB 3.4Å; D937-F940 PolarHBondContact O-N 3.44Å; D937-F940 VanDerWaalsContact O-N 3.13Å; D937-Y953 PolarHBondContact OD2-OH 3.39Å; D937-F957 HydrophobicContact CB-CE2 4.17Å; D937-F957 WeakPolarHBondContact OD2-CD2 3.47Å; D937-F957 WeakPolarHBondContact OD2-CE2 3.29Å
938P73.5Confident75Confident130 Ų13084.1 Ų84.184%0.84445%0.45SS*.THydrogen-bonded Turntrans-60.4-16.1175.5-19.230.3000114.4
939S73.2Confident74.6Confident70 Ų7084.2 Ų84.249%0.4945%0.448SS..THydrogen-bonded Turntrans-90.5-4.5179.375.80000114D937 T941D937-S939 PolarHBondContact O-N 3.21Å; D937-S939 VanDerWaalsContact O-N 3.09Å; D937-S939 WeakPolarHBondContact OD1-CA 3.49Å; D937-S939 VanDerWaalsContact OD1-CB 3.29Å; D937-S939 WeakPolarHBondContact OD1-CB 3.5Å; D937-S939 PolarHBondContact OD1-N 3.4Å; D937-S939 PolarHBondContact OD1-OG 2.85Å; D937-S939 PolarHBondContact OD2-OG 3.23Å; D937-S939 VanDerWaalsContact OD2-OG 3.06Å; S939-T941 PolarHBondContact O-N 3.35Å
940F75Confident74.3Confident22 Ų2282.4 Ų82.410%0.09644%0.437CS..  trans-83.995.8177.7-169.3-100.8000111C930 L933 K934 D937 E942 L944 Y953C930-F940 HydrophobicContact CB-CZ 4.41Å; L933-F940 HydrophobicContact CB-CD1 4.23Å; L933-F940 HydrophobicContact CB-CD2 4.28Å; L933-F940 HydrophobicContact CB-CE1 4.43Å; L933-F940 HydrophobicContact CB-CE2 4.46Å; L933-F940 HydrophobicContact CB-CG 4.15Å; L933-F940 HydrophobicContact CD1-CD2 4.46Å; L933-F940 HydrophobicContact CD1-CE2 4.16Å; K934-F940 HydrophobicContact CG-CD1 3.72Å; K934-F940 HydrophobicContact CG-CE1 3.89Å; D937-F940 HydrophobicContact CB-CB 4.23Å; D937-F940 WeakPolarHBondContact O-CB 3.4Å; D937-F940 PolarHBondContact O-N 3.44Å; D937-F940 VanDerWaalsContact O-N 3.13Å; F940-E942 WeakPolarHBondContact CE1-O 3.4Å; F940-E942 WeakPolarHBondContact CZ-O 3.34Å; F940-L944 HydrophobicContact CE2-CD1 3.66Å; F940-L944 HydrophobicContact CE2-CG 4.18Å; F940-L944 HydrophobicContact CZ-CD1 4.07Å; F940-L944 HydrophobicContact CZ-CG 4.27Å; F940-Y953 HydrophobicContact CD2-CD1 4.23Å; F940-Y953 HydrophobicContact CD2-CD2 4.4Å; F940-Y953 AromaticContact CD2-CE1 3.67Å; F940-Y953 HydrophobicContact CD2-CE1 3.67Å; F940-Y953 AromaticContact CD2-CE2 3.88Å; F940-Y953 HydrophobicContact CD2-CE2 3.88Å; F940-Y953 AromaticContact CD2-CZ 3.47Å; F940-Y953 VanDerWaalsContact CD2-CZ 3.47Å; F940-Y953 HydrophobicContact CE2-CD1 4.2Å; F940-Y953 HydrophobicContact CE2-CD2 4.47Å; F940-Y953 HydrophobicContact CE2-CE1 4.1Å; F940-Y953 HydrophobicContact CE2-CE2 4.38Å; F940-Y953 HydrophobicContact CE2-CG 4.38Å
941T66.8Low74.3Confident127 Ų12784.3 Ų84.378%0.77945%0.446SS*.  trans-103.4-5.4-171.237.90000116.5S939S939-T941 PolarHBondContact O-N 3.35Å
942E64.4Low74.3Confident144 Ų14484.4 Ų84.467%0.67345%0.449SS*.SBendtrans-140.5147.5-174.6-73-172.9166.200113.6F940 L944F940-E942 WeakPolarHBondContact CE1-O 3.4Å; F940-E942 WeakPolarHBondContact CZ-O 3.34Å; E942-L944 PolarHBondContact O-N 3.4Å; E942-L944 VanDerWaalsContact O-N 3.12Å
943P59.2Low74.1Confident100 Ų10081.9 Ų81.965%0.64943%0.433SS*.  trans-73.9102.8170.330.3-27.7000108.6S945P943-S945 PolarHBondContact O-N 3.28Å
944L64.4Low74Confident46 Ų4683.3 Ų83.324%0.24144%0.44CS..  trans-59.1117.9168.8-61.8166.3000107.7F940 E942 E949 V950 Y953F940-L944 HydrophobicContact CE2-CD1 3.66Å; F940-L944 HydrophobicContact CE2-CG 4.18Å; F940-L944 HydrophobicContact CZ-CD1 4.07Å; F940-L944 HydrophobicContact CZ-CG 4.27Å; E942-L944 PolarHBondContact O-N 3.4Å; E942-L944 VanDerWaalsContact O-N 3.12Å; L944-E949 HydrophobicContact CB-CB 4.08Å; L944-E949 HydrophobicContact CD2-CB 3.85Å; L944-E949 HydrophobicContact CG-CB 4.36Å; L944-V950 HydrophobicContact CB-CG2 3.69Å; L944-V950 HydrophobicContact CD1-CG2 4.21Å; L944-Y953 HydrophobicContact CD1-CD2 4.41Å; L944-Y953 HydrophobicContact CD1-CG 4.07Å
945S62.9Low74.1Confident118 Ų11884.6 Ų84.683%0.82544%0.442SS*.  trans-92.6-19.5-173.563.20000112.7P943P943-S945 PolarHBondContact O-N 3.28Å
946D70.3Confident74Confident78 Ų7882 Ų8242%0.41744%0.436SS..SBendtrans-100136.6178.6-170.4-8.8000110.4E948 E949 V950D946-E948 VanDerWaalsContact C-N 3.25Å; D946-E948 PolarHBondContact O-N 2.97Å; D946-E948 PolarHBondContact OD1-N 3.02Å; D946-E948 VanDerWaalsContact OD1-N 3.11Å; D946-E949 HydrophobicContact CB-CB 4.13Å; D946-E949 HydrophobicContact CB-CG 3.84Å; D946-E949 WeakPolarHBondContact O-CB 3.41Å; D946-E949 PolarHBondContact O-N 3.44Å; D946-V950 PolarHBondContact O-N 3.06Å
947G71.8Confident73.8Confident16 Ų1677.8 Ų77.817%0.16542%0.421CS..Hα-helixtrans-63.1-32.4176.600000113R926 V950 D951R926-G947 PolarHBondContact NE-O 2.57Å; G947-V950 PolarHBondContact O-N 3.36Å; G947-D951 VanDerWaalsContact O-CG 3.23Å; G947-D951 PolarHBondContact O-N 3.07Å; G947-D951 VanDerWaalsContact O-N 3.16Å
948E76.8Confident73.9Confident113 Ų11382.8 Ų82.853%0.52845%0.447SS..Hα-helixtrans-67.6-35.9174-81.5-166.6157.800112.3D946 D951 N952D946-E948 VanDerWaalsContact C-N 3.25Å; D946-E948 PolarHBondContact O-N 2.97Å; D946-E948 PolarHBondContact OD1-N 3.02Å; D946-E948 VanDerWaalsContact OD1-N 3.11Å; E948-D951 PolarHBondContact O-N 3.35Å; E948-N952 VanDerWaalsContact O-CB 3.27Å; E948-N952 WeakPolarHBondContact O-CB 3.41Å; E948-N952 PolarHBondContact O-N 3.39Å; E948-N952 PolarHBondContact O-ND2 3.02Å; E948-N952 VanDerWaalsContact O-ND2 3.09Å
949E78.1Confident74Confident86 Ų8682.4 Ų82.440%0.40244%0.439SS..Hα-helixtrans-64.2-42.1177.5-75.3178.1167.900111.4L944 D946 N952 Y953L944-E949 HydrophobicContact CB-CB 4.08Å; L944-E949 HydrophobicContact CD2-CB 3.85Å; L944-E949 HydrophobicContact CG-CB 4.36Å; D946-E949 HydrophobicContact CB-CB 4.13Å; D946-E949 HydrophobicContact CB-CG 3.84Å; D946-E949 WeakPolarHBondContact O-CB 3.41Å; D946-E949 PolarHBondContact O-N 3.44Å; E949-N952 PolarHBondContact O-N 3.41Å; E949-Y953 WeakPolarHBondContact O-CB 3.49Å; E949-Y953 PolarHBondContact O-N 3.18Å
950V77.1Confident73.6Confident5 Ų586.6 Ų86.63%0.0345%0.448CS..Hα-helixtrans-61.2-49.1175.2178.60000110.8R926 C930 L944 D946 G947 N952 Y953 I954R926-V950 HydrophobicContact CB-CG1 4.25Å; R926-V950 HydrophobicContact CG-CG1 4.25Å; C930-V950 WeakPolarHBondContact SG-CG2 3.2Å; L944-V950 HydrophobicContact CB-CG2 3.69Å; L944-V950 HydrophobicContact CD1-CG2 4.21Å; D946-V950 PolarHBondContact O-N 3.06Å; G947-V950 PolarHBondContact O-N 3.36Å; V950-N952 VanDerWaalsContact C-N 3.34Å; V950-N952 PolarHBondContact O-N 3.42Å; V950-Y953 PolarHBondContact O-N 3.25Å; V950-I954 HydrophobicContact CG1-CD1 3.85Å; V950-I954 VanDerWaalsContact O-CG1 3.3Å; V950-I954 WeakPolarHBondContact O-CG1 3.43Å; V950-I954 PolarHBondContact O-N 2.86Å
951D82.6Confident72.4Confident51 Ų5196.4 Ų96.427%0.27350%0.501SS..Hα-helixtrans-63.7-40.5-179.1-65.3-7.8000111.6R926 G947 E948 I954 R955R926-D951 IonicContact CZ-OD1 3.48Å; R926-D951 IonicContact CZ-OD2 3.95Å; R926-D951 IonicContact NE-OD1 3.22Å; R926-D951 PolarHBondContact NE-OD1 3.06Å; R926-D951 IonicContact NE-OD2 3.13Å; R926-D951 IonicContact NH2-OD1 3.35Å; R926-D951 IonicContact NH2-OD2 2.81Å; R926-D951 PolarHBondContact NH2-OD2 3.21Å; G947-D951 VanDerWaalsContact O-CG 3.23Å; G947-D951 PolarHBondContact O-N 3.07Å; G947-D951 VanDerWaalsContact O-N 3.16Å; E948-D951 PolarHBondContact O-N 3.35Å; D951-I954 PolarHBondContact O-N 2.75Å; D951-R955 WeakPolarHBondContact O-CB 3.29Å; D951-R955 PolarHBondContact O-N 3.29Å
952N82.1Confident72.7Confident74 Ų7494.9 Ų94.940%0.39649%0.487SS..Hα-helixtrans-66-40.2176-74.6-29.6000112.1E948 E949 V950 R955 N956E948-N952 VanDerWaalsContact O-CB 3.27Å; E948-N952 WeakPolarHBondContact O-CB 3.41Å; E948-N952 PolarHBondContact O-N 3.39Å; E948-N952 PolarHBondContact O-ND2 3.02Å; E948-N952 VanDerWaalsContact O-ND2 3.09Å; E949-N952 PolarHBondContact O-N 3.41Å; V950-N952 VanDerWaalsContact C-N 3.34Å; V950-N952 PolarHBondContact O-N 3.42Å; N952-R955 PolarHBondContact O-N 2.64Å; N952-R955 PolarHBondContact OD1-NH1 3.09Å; N952-N956 WeakPolarHBondContact O-CB 3.44Å; N952-N956 VanDerWaalsContact O-CG 3.29Å; N952-N956 PolarHBondContact O-N 3.06Å; N952-N956 PolarHBondContact O-ND2 3.46Å
953Y80.5Confident73.1Confident51 Ų5192.3 Ų92.320%0.248%0.478CS..Hα-helixtrans-62.4-47.7175.8-174.6-87.2000111.4L933 D937 F940 L944 E949 V950 R955 N956 F957L933-Y953 HydrophobicContact CD1-CD1 3.71Å; L933-Y953 HydrophobicContact CD1-CE1 3.81Å; L933-Y953 HydrophobicContact CD2-CE1 4.09Å; L933-Y953 HydrophobicContact CG-CE1 4.48Å; D937-Y953 PolarHBondContact OD2-OH 3.39Å; F940-Y953 HydrophobicContact CD2-CD1 4.23Å; F940-Y953 HydrophobicContact CD2-CD2 4.4Å; F940-Y953 AromaticContact CD2-CE1 3.67Å; F940-Y953 HydrophobicContact CD2-CE1 3.67Å; F940-Y953 AromaticContact CD2-CE2 3.88Å; F940-Y953 HydrophobicContact CD2-CE2 3.88Å; F940-Y953 AromaticContact CD2-CZ 3.47Å; F940-Y953 VanDerWaalsContact CD2-CZ 3.47Å; F940-Y953 HydrophobicContact CE2-CD1 4.2Å; F940-Y953 HydrophobicContact CE2-CD2 4.47Å; F940-Y953 HydrophobicContact CE2-CE1 4.1Å; F940-Y953 HydrophobicContact CE2-CE2 4.38Å; F940-Y953 HydrophobicContact CE2-CG 4.38Å; L944-Y953 HydrophobicContact CD1-CD2 4.41Å; L944-Y953 HydrophobicContact CD1-CG 4.07Å; E949-Y953 WeakPolarHBondContact O-CB 3.49Å; E949-Y953 PolarHBondContact O-N 3.18Å; V950-Y953 PolarHBondContact O-N 3.25Å; Y953-R955 VanDerWaalsContact C-N 3.33Å; Y953-R955 PolarHBondContact O-N 3.13Å; Y953-N956 PolarHBondContact O-N 3.11Å; Y953-F957 HydrophobicContact CE1-CB 4.45Å; Y953-F957 HydrophobicContact CE1-CD2 4.47Å; Y953-F957 WeakPolarHBondContact O-CB 3.37Å; Y953-F957 PolarHBondContact O-N 2.71Å
954I78.6Confident73.9Confident51 Ų5191.8 Ų91.826%0.26247%0.468SS..Hα-helixtrans-59.2-45.5177.3-65.6162.5000110.6V929 L933 V950 D951 N956 F957 L958V929-I954 HydrophobicContact CB-CD1 4.5Å; V929-I954 HydrophobicContact CG1-CD1 3.6Å; V929-I954 HydrophobicContact CG1-CG1 4.07Å; L933-I954 HydrophobicContact CD1-CG1 4.49Å; V950-I954 HydrophobicContact CG1-CD1 3.85Å; V950-I954 VanDerWaalsContact O-CG1 3.3Å; V950-I954 WeakPolarHBondContact O-CG1 3.43Å; V950-I954 PolarHBondContact O-N 2.86Å; D951-I954 PolarHBondContact O-N 2.75Å; I954-N956 VanDerWaalsContact C-N 3.32Å; I954-N956 PolarHBondContact O-N 2.99Å; I954-F957 PolarHBondContact O-N 3.38Å; I954-L958 HydrophobicContact CG2-CD1 3.81Å; I954-L958 HydrophobicContact CG2-CG 4.34Å; I954-L958 WeakPolarHBondContact O-CG 3.39Å; I954-L958 PolarHBondContact O-N 3.09Å
955R81.4Confident74.4Confident132 Ų13294.5 Ų94.550%0.49848%0.481SS..Hα-helixtrans-61.8-39.7179.3-156.5179.5-65.1114.8-1.7111.8D951 N952 Y953 N959D951-R955 WeakPolarHBondContact O-CB 3.29Å; D951-R955 PolarHBondContact O-N 3.29Å; N952-R955 PolarHBondContact O-N 2.64Å; N952-R955 PolarHBondContact OD1-NH1 3.09Å; Y953-R955 VanDerWaalsContact C-N 3.33Å; Y953-R955 PolarHBondContact O-N 3.13Å; R955-N959 WeakPolarHBondContact O-CB 3.3Å; R955-N959 VanDerWaalsContact O-CG 3.22Å; R955-N959 PolarHBondContact O-N 2.9Å; R955-N959 PolarHBondContact O-ND2 2.78Å
956N81.5Confident75.1Confident106 Ų10693.1 Ų93.157%0.56746%0.46SS*.Hα-helixtrans-71.5-36.2175.6-72.1-28.4000112.8N952 Y953 I954 N959N952-N956 WeakPolarHBondContact O-CB 3.44Å; N952-N956 VanDerWaalsContact O-CG 3.29Å; N952-N956 PolarHBondContact O-N 3.06Å; N952-N956 PolarHBondContact O-ND2 3.46Å; Y953-N956 PolarHBondContact O-N 3.11Å; I954-N956 VanDerWaalsContact C-N 3.32Å; I954-N956 PolarHBondContact O-N 2.99Å; N956-N959 PolarHBondContact O-N 2.81Å
957F74.9Confident75.5Confident94 Ų9494.1 Ų94.141%0.41246%0.463SS..Hα-helixtrans-66.9-41.9177.6-173.5-92.7000111.6D937 Y953 I954 N959 K960D937-F957 HydrophobicContact CB-CE2 4.17Å; D937-F957 WeakPolarHBondContact OD2-CD2 3.47Å; D937-F957 WeakPolarHBondContact OD2-CE2 3.29Å; Y953-F957 HydrophobicContact CE1-CB 4.45Å; Y953-F957 HydrophobicContact CE1-CD2 4.47Å; Y953-F957 WeakPolarHBondContact O-CB 3.37Å; Y953-F957 PolarHBondContact O-N 2.71Å; I954-F957 PolarHBondContact O-N 3.38Å; F957-N959 VanDerWaalsContact C-N 3.28Å; F957-N959 PolarHBondContact O-N 3.14Å; F957-K960 PolarHBondContact O-N 3Å
958L76.2Confident75.7Confident124 Ų12499.6 Ų99.665%0.64948%0.484SS*.Hα-helixtrans-69.4-22.8177.1-69.2170.9000113.8I954I954-L958 HydrophobicContact CG2-CD1 3.81Å; I954-L958 HydrophobicContact CG2-CG 4.34Å; I954-L958 WeakPolarHBondContact O-CG 3.39Å; I954-L958 PolarHBondContact O-N 3.09Å
959N76.5Confident75.6Confident123 Ų12398.6 Ų98.666%0.65848%0.481SS*.THydrogen-bonded Turntrans-90.55.7179.8-73.7-24.8000113.8R955 N956 F957R955-N959 WeakPolarHBondContact O-CB 3.3Å; R955-N959 VanDerWaalsContact O-CG 3.22Å; R955-N959 PolarHBondContact O-N 2.9Å; R955-N959 PolarHBondContact O-ND2 2.78Å; N956-N959 PolarHBondContact O-N 2.81Å; F957-N959 VanDerWaalsContact C-N 3.28Å; F957-N959 PolarHBondContact O-N 3.14Å
960K65.6Low75.4Confident157 Ų15799.7 Ų99.768%0.68349%0.487SS*.  trans-88.26.8-175.7-94.6-177.5179.1176.80115.6F957F957-K960 PolarHBondContact O-N 3Å
961D48.3Very low75.3Confident228 Ų228108.3 Ų108.3100%1.21953%0.529SS*.  trans-98.40178.4-79.3-25.7000114.6

Retrieved 961 of 961 residues in 660.1 ms (Link to these results)

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