A0A3Q0KR26_SCHMA Loading...

U3 small nucleolar RNA-associated protein 25 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KR26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 624 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
1M29.6Very low44.1Very low232 Ų232126.4 Ų126.4100%1.14369%0.685SS**  092.50-81.4-179.6-83.800106.1E3M1-E3 PolarHBondContact O-N 3.47Å
2E31.1Very low47.8Very low197 Ų197116.9 Ų116.992%0.92164%0.636SS**  trans-6392.4157.7-73.4176.5162.100104.3T4E2-T4 VanDerWaalsContact C-N 3.26Å; E2-T4 PolarHBondContact O-N 3.33Å
3E29.2Very low51.1Low166 Ų166108 Ų10878%0.77659%0.588SS**  trans-51.1109162-79.5-175.3159.400104.2M1 V5M1-E3 PolarHBondContact O-N 3.47Å; E3-V5 PolarHBondContact O-N 3.37Å
4T28.1Very low54.1Low129 Ų129100.6 Ų100.679%0.79155%0.547SS*.  trans-46.993.7165.444.60000105.6E2 N6E2-T4 VanDerWaalsContact C-N 3.26Å; E2-T4 PolarHBondContact O-N 3.33Å; T4-N6 VanDerWaalsContact C-N 3.31Å; T4-N6 PolarHBondContact O-N 3.36Å
5V36.3Very low56.6Low126 Ų12697.5 Ų97.576%0.76453%0.529SS*.  trans-53.4105.5178.5171.90000103.7E3 N7E3-V5 PolarHBondContact O-N 3.37Å; V5-N7 WeakPolarHBondContact O-CA 3.4Å; V5-N7 PolarHBondContact O-N 3.28Å
6N39.3Very low58.8Low147 Ų14791.9 Ų91.979%0.78650%0.498SS*.  trans-33105-175.3-79.5-53000108.7T4 P8T4-N6 VanDerWaalsContact C-N 3.31Å; T4-N6 PolarHBondContact O-N 3.36Å; N6-P8 WeakPolarHBondContact O-CD 3.44Å
7N43.3Very low60.9Low94 Ų9486.5 Ų86.550%0.50347%0.469SS..  trans-54.7106.4-166.8-163.7-3.5000107.5V5 L9 N10V5-N7 WeakPolarHBondContact O-CA 3.4Å; V5-N7 PolarHBondContact O-N 3.28Å; N7-L9 PolarHBondContact O-N 2.68Å; N7-L9 WeakPolarHBondContact OD1-CD1 3.2Å; N7-N10 PolarHBondContact O-N 3.37Å
8P54.5Low62.6Low61 Ų6182.1 Ų82.140%0.39644%0.444SS..Hα-helixtrans-62.2-19.4-165.419.5-29.5000111.6N6 N10 A11N6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-N10 PolarHBondContact O-N 2.72Å; P8-A11 PolarHBondContact O-N 3.27Å
9L58.6Low64.1Low61 Ų6180.8 Ų80.832%0.31944%0.442SS..Hα-helixtrans-57.5-26.9172.7-62.9171.3000114.2N7 R16 I20N7-L9 PolarHBondContact O-N 2.68Å; N7-L9 WeakPolarHBondContact OD1-CD1 3.2Å; L9-R16 HydrophobicContact CB-CG 4.33Å; L9-R16 HydrophobicContact CD2-CG 4.01Å; L9-R16 VanDerWaalsContact O-CB 3.29Å; L9-R16 WeakPolarHBondContact O-CB 3.31Å; L9-R16 VanDerWaalsContact O-CD 3.31Å; L9-R16 WeakPolarHBondContact O-CD 3.49Å; L9-R16 VanDerWaalsContact O-CG 3.28Å; L9-R16 WeakPolarHBondContact O-CG 3.3Å; L9-I20 HydrophobicContact CD2-CG1 3.94Å
10N61.9Low65.5Low110 Ų11077.4 Ų77.459%0.58842%0.423SS*.Hα-helixtrans-103.6-8.9-179-70.6-15.8000113.9N7 P8N7-N10 PolarHBondContact O-N 3.37Å; P8-N10 PolarHBondContact O-N 2.72Å
11A73.6Confident66.8Low67 Ų6776.4 Ų76.455%0.55442%0.421SS*.Hα-helixtrans-77.6-39.5-174.900000112.9P8P8-A11 PolarHBondContact O-N 3.27Å
12S87.7Confident69.8Low13 Ų1368 Ų689%0.09138%0.377CS..  trans-156.2146.1172.470.90000113.2F14 L15 R16 T58S12-F14 PolarHBondContact O-N 2.99Å; S12-L15 PolarHBondContact O-N 3.22Å; S12-L15 WeakPolarHBondContact OG-CB 3.49Å; S12-L15 VanDerWaalsContact OG-CG 3.3Å; S12-L15 WeakPolarHBondContact OG-CG 3.45Å; S12-L15 PolarHBondContact OG-N 3.41Å; S12-L15 VanDerWaalsContact OG-N 3.09Å; S12-R16 WeakPolarHBondContact O-CB 3.5Å; S12-R16 PolarHBondContact O-N 3.21Å; S12-T58 VanDerWaalsContact CA-CG2 3.43Å
13S91.5Very high72.8Confident1 Ų163 Ų631%0.00735%0.353CS..Hα-helixtrans-56-36.5175-47.40000112.4H17 T78S13-H17 VanDerWaalsContact O-CB 3.23Å; S13-H17 WeakPolarHBondContact O-CB 3.36Å; S13-H17 PolarHBondContact O-N 3.3Å; S13-T78 WeakPolarHBondContact CB-O 3.32Å
14F93.1Very high75.7Confident4 Ų461.1 Ų61.12%0.01835%0.345CS..Hα-helixtrans-62.1-54.8174.6171.6-100.7000111.9S12 R16 H17 F18 Y80 H106 R109 C110 L113S12-F14 PolarHBondContact O-N 2.99Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 3.08Å; F14-H17 PolarHBondContact O-N 3.45Å; F14-F18 AromaticContact CD2-CD2 3.59Å; F14-F18 HydrophobicContact CD2-CD2 3.59Å; F14-F18 AromaticContact CD2-CE2 3.59Å; F14-F18 HydrophobicContact CD2-CE2 3.59Å; F14-F18 AromaticContact CE2-CD2 3.55Å; F14-F18 HydrophobicContact CE2-CD2 3.55Å; F14-F18 AromaticContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CG-CD2 4.33Å; F14-F18 HydrophobicContact CZ-CD2 4.24Å; F14-F18 VanDerWaalsContact O-CD2 3.29Å; F14-F18 WeakPolarHBondContact O-CD2 3.38Å; F14-F18 PolarHBondContact O-N 3.31Å; F14-Y80 HydrophobicContact CB-CE2 4.02Å; F14-Y80 HydrophobicContact CD2-CE2 4.47Å; F14-Y80 AromaticContact CD2-CZ 3.91Å; F14-Y80 WeakPolarHBondContact CD2-OH 3.19Å; F14-H106 AromaticContact CE2-ND1 3.9Å; F14-R109 HydrophobicContact CD1-CB 4.04Å; F14-R109 HydrophobicContact CD2-CB 4.48Å; F14-R109 HydrophobicContact CE1-CB 4.02Å; F14-R109 HydrophobicContact CE2-CB 4.46Å; F14-R109 HydrophobicContact CG-CB 4.27Å; F14-R109 HydrophobicContact CZ-CB 4.23Å; F14-C110 VanDerWaalsContact CE2-SG 3.52Å; F14-C110 VanDerWaalsContact CZ-SG 3.51Å; F14-L113 HydrophobicContact CE1-CD2 4.03Å; F14-L113 HydrophobicContact CZ-CD2 4.41Å
15L91.3Very high78.6Confident54 Ų5455 Ų5528%0.28331%0.308SS..Hα-helixtrans-64.2-39.9179.5-69.2175.4000111.1S12 S19 L113S12-L15 PolarHBondContact O-N 3.22Å; S12-L15 WeakPolarHBondContact OG-CB 3.49Å; S12-L15 VanDerWaalsContact OG-CG 3.3Å; S12-L15 WeakPolarHBondContact OG-CG 3.45Å; S12-L15 PolarHBondContact OG-N 3.41Å; S12-L15 VanDerWaalsContact OG-N 3.09Å; L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 PolarHBondContact O-OG 3.38Å; L15-L113 HydrophobicContact CD2-CD1 4.27Å; L15-L113 HydrophobicContact CD2-CD2 4.32Å
16R92.1Very high81.1Confident8 Ų852.5 Ų52.53%0.0329%0.286CS..Hα-helixtrans-55.9-54.2174.5-172.5-173.668.1-160.9-1.7111L9 S12 F14 F18 S19 I20 P54 N79L9-R16 HydrophobicContact CB-CG 4.33Å; L9-R16 HydrophobicContact CD2-CG 4.01Å; L9-R16 VanDerWaalsContact O-CB 3.29Å; L9-R16 WeakPolarHBondContact O-CB 3.31Å; L9-R16 VanDerWaalsContact O-CD 3.31Å; L9-R16 WeakPolarHBondContact O-CD 3.49Å; L9-R16 VanDerWaalsContact O-CG 3.28Å; L9-R16 WeakPolarHBondContact O-CG 3.3Å; S12-R16 WeakPolarHBondContact O-CB 3.5Å; S12-R16 PolarHBondContact O-N 3.21Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 3.08Å; R16-F18 PolarHBondContact O-N 3.49Å; R16-S19 PolarHBondContact O-N 3.32Å; R16-I20 HydrophobicContact CG-CD1 4.34Å; R16-I20 WeakPolarHBondContact O-CD1 3.44Å; R16-I20 VanDerWaalsContact O-CG1 3.3Å; R16-I20 WeakPolarHBondContact O-CG1 3.27Å; R16-I20 PolarHBondContact O-N 2.93Å; R16-P54 PolarHBondContact NH1-O 3.39Å; R16-N79 PolarHBondContact NH2-ND2 3.08Å; R16-N79 PolarHBondContact NH2-O 2.82Å; R16-N79 PolarHBondContact NH2-OD1 3Å
17H93.6Very high83.3Confident0 Ų051.2 Ų51.20%028%0.279CS..Hα-helixtrans-59-47.5-175-173.387.8000112S13 F14 Y80 Y313 N336 F337 Q338S13-H17 VanDerWaalsContact O-CB 3.23Å; S13-H17 WeakPolarHBondContact O-CB 3.36Å; S13-H17 PolarHBondContact O-N 3.3Å; F14-H17 PolarHBondContact O-N 3.45Å; H17-Y80 HydrophobicContact CB-CD2 4.44Å; H17-Y80 HydrophobicContact CB-CG 4.12Å; H17-Y80 AromaticContact CG-CG 3.97Å; H17-Y80 WeakPolarHBondContact ND1-CB 3.38Å; H17-Y313 PolarHBondContact NE2-O 3.01Å; H17-Y313 VanDerWaalsContact NE2-O 3.07Å; H17-Y313 WeakPolarHBondContact O-CE1 3.32Å; H17-N336 PolarHBondContact CE1-OD1 3.17Å; H17-F337 AromaticContact CE1-CE1 3.48Å; H17-F337 VanDerWaalsContact CE1-CE1 3.48Å; H17-F337 WeakPolarHBondContact CE1-CE1 3.35Å; H17-F337 AromaticContact CE1-CZ 3.61Å; H17-F337 AromaticContact CG-CZ 3.91Å; H17-F337 AromaticContact ND1-CE1 3.8Å; H17-F337 AromaticContact ND1-CZ 3.42Å; H17-F337 WeakPolarHBondContact ND1-CZ 3.47Å; H17-F337 AromaticContact NE2-CE1 3.81Å; H17-F337 WeakPolarHBondContact O-CZ 3.49Å; H17-Q338 VanDerWaalsContact ND1-CD 3.26Å; H17-Q338 PolarHBondContact ND1-NE2 2.95Å
18F92.8Very high85.1Confident7 Ų749 Ų493%0.03127%0.266CS..Hα-helixtrans-90.7-2.1-174.7-63.6-73.1000115.4F14 R16 Y80 H106 E261 R302 Y313F14-F18 AromaticContact CD2-CD2 3.59Å; F14-F18 HydrophobicContact CD2-CD2 3.59Å; F14-F18 AromaticContact CD2-CE2 3.59Å; F14-F18 HydrophobicContact CD2-CE2 3.59Å; F14-F18 AromaticContact CE2-CD2 3.55Å; F14-F18 HydrophobicContact CE2-CD2 3.55Å; F14-F18 AromaticContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CG-CD2 4.33Å; F14-F18 HydrophobicContact CZ-CD2 4.24Å; F14-F18 VanDerWaalsContact O-CD2 3.29Å; F14-F18 WeakPolarHBondContact O-CD2 3.38Å; F14-F18 PolarHBondContact O-N 3.31Å; R16-F18 PolarHBondContact O-N 3.49Å; F18-Y80 HydrophobicContact CE2-CD1 4.06Å; F18-Y80 AromaticContact CE2-CE1 3.57Å; F18-Y80 HydrophobicContact CE2-CE1 3.57Å; F18-Y80 HydrophobicContact CZ-CD1 4.21Å; F18-Y80 AromaticContact CZ-CE1 3.92Å; F18-Y80 HydrophobicContact CZ-CE1 3.92Å; F18-H106 AromaticContact CE2-CE1 3.8Å; F18-H106 AromaticContact CZ-CE1 3.77Å; F18-E261 HydrophobicContact CE1-CB 3.94Å; F18-E261 HydrophobicContact CE1-CG 3.81Å; F18-E261 HydrophobicContact CZ-CB 3.85Å; F18-E261 HydrophobicContact CZ-CG 4.16Å; F18-R302 VanDerWaalsContact CB-CZ 3.49Å; F18-R302 PolarHBondContact O-NH1 2.89Å; F18-Y313 HydrophobicContact CD1-CD1 4.31Å
19S91Very high86Confident58 Ų5856.5 Ų56.541%0.40629%0.286SS..Hα-helixtrans-102.2-10.1177.1-51.10000113.6L15 R16 P21L15-S19 WeakPolarHBondContact O-CB 3.44Å; L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 PolarHBondContact O-OG 3.38Å; R16-S19 PolarHBondContact O-N 3.32Å; S19-P21 WeakPolarHBondContact O-CD 3.27Å
20I91.3Very high86.5Confident12 Ų1256.1 Ų56.16%0.06229%0.288CS..SBendtrans-66.5126.3175.5-70.5158.8000108.9L9 R16 Q24 V25 F53 Y313 F337L9-I20 HydrophobicContact CD2-CG1 3.94Å; R16-I20 HydrophobicContact CG-CD1 4.34Å; R16-I20 WeakPolarHBondContact O-CD1 3.44Å; R16-I20 VanDerWaalsContact O-CG1 3.3Å; R16-I20 WeakPolarHBondContact O-CG1 3.27Å; R16-I20 PolarHBondContact O-N 2.93Å; I20-Q24 HydrophobicContact CG2-CB 4.41Å; I20-V25 HydrophobicContact CG2-CG1 3.56Å; I20-F53 HydrophobicContact CD1-CE1 3.64Å; I20-F53 HydrophobicContact CD1-CZ 4.35Å; I20-Y313 PolarHBondContact O-OH 2.97Å; I20-F337 HydrophobicContact CD1-CE2 3.6Å; I20-F337 HydrophobicContact CD1-CZ 3.87Å
21P92Very high86.7Confident58 Ų5854.7 Ų54.738%0.37729%0.285SS..  trans-61.4140176.5-22.533.5000112S19 E23 Q24S19-P21 WeakPolarHBondContact O-CD 3.27Å; P21-E23 VanDerWaalsContact CB-OE2 3.32Å; P21-E23 WeakPolarHBondContact CB-OE2 3.46Å; P21-E23 PolarHBondContact O-N 2.91Å; P21-Q24 PolarHBondContact O-N 2.93Å; P21-Q24 VanDerWaalsContact O-N 3.12Å
22Y92.9Very high87.2Confident54 Ų5456.6 Ų56.621%0.21228%0.282CS..Hα-helixtrans-66.8-23.8-176.771.6-86.6000112Q24 V25 K26 L303 C304 A307 Y309 Y313Y22-Q24 PolarHBondContact O-N 3.25Å; Y22-V25 PolarHBondContact O-N 2.96Å; Y22-K26 WeakPolarHBondContact O-CA 3.21Å; Y22-K26 WeakPolarHBondContact O-CB 3.38Å; Y22-K26 WeakPolarHBondContact O-CG 3.35Å; Y22-K26 PolarHBondContact O-N 3.11Å; Y22-L303 HydrophobicContact CD1-CB 4.25Å; Y22-L303 HydrophobicContact CE1-CB 4.03Å; Y22-C304 HydrophobicContact CD1-CB 4.4Å; Y22-C304 HydrophobicContact CG-CB 4.38Å; Y22-A307 HydrophobicContact CD1-CB 4.44Å; Y22-A307 HydrophobicContact CD2-CB 4.15Å; Y22-A307 HydrophobicContact CE1-CB 4.2Å; Y22-A307 HydrophobicContact CE2-CB 3.86Å; Y22-A307 HydrophobicContact CG-CB 4.43Å; Y22-Y309 AromaticContact CD2-CD2 3.3Å; Y22-Y309 HydrophobicContact CD2-CD2 3.3Å; Y22-Y309 AromaticContact CD2-CE2 3.39Å; Y22-Y309 HydrophobicContact CD2-CE2 3.39Å; Y22-Y309 HydrophobicContact CD2-CG 4.28Å; Y22-Y309 AromaticContact CE2-CD2 3.96Å; Y22-Y309 HydrophobicContact CE2-CD2 3.96Å; Y22-Y309 AromaticContact CE2-CE2 3.7Å; Y22-Y309 HydrophobicContact CE2-CE2 3.7Å; Y22-Y309 AromaticContact CG-CD2 3.94Å; Y22-Y309 HydrophobicContact CG-CD2 3.94Å; Y22-Y309 HydrophobicContact CG-CE2 4.44Å; Y22-Y313 WeakPolarHBondContact CA-OH 3.26Å; Y22-Y313 PolarHBondContact N-OH 3.01Å; Y22-Y313 VanDerWaalsContact N-OH 3.17Å
23E93.7Very high87.2Confident92 Ų9257 Ų5743%0.4328%0.284SS..Hα-helixtrans-60.5-27.5175.9-6383.9174.300112.7P21P21-E23 VanDerWaalsContact CB-OE2 3.32Å; P21-E23 WeakPolarHBondContact CB-OE2 3.46Å; P21-E23 PolarHBondContact O-N 2.91Å
24Q90.8Very high87.1Confident128 Ų12858.2 Ų58.260%0.59829%0.291SS*.Hα-helixtrans-82.7-28.6178.6-62.4179.77.800112.5I20 P21 Y22I20-Q24 HydrophobicContact CG2-CB 4.41Å; P21-Q24 PolarHBondContact O-N 2.93Å; P21-Q24 VanDerWaalsContact O-N 3.12Å; Y22-Q24 PolarHBondContact O-N 3.25Å
25V89.4Confident86.8Confident1 Ų159 Ų591%0.00630%0.297CS..Hα-helixtrans-110.2-11.8-172-60.10000113.6I20 Y22 D27 Q28 R312 Y313 F337I20-V25 HydrophobicContact CG2-CG1 3.56Å; Y22-V25 PolarHBondContact O-N 2.96Å; V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 3.44Å; V25-Q28 PolarHBondContact O-N 3.27Å; V25-R312 PolarHBondContact O-NE 2.96Å; V25-Y313 HydrophobicContact CG2-CE2 4.12Å; V25-F337 HydrophobicContact CB-CB 3.76Å; V25-F337 HydrophobicContact CB-CD1 4.26Å; V25-F337 HydrophobicContact CB-CG 3.94Å; V25-F337 HydrophobicContact CG1-CB 3.95Å; V25-F337 HydrophobicContact CG1-CD1 4.23Å; V25-F337 HydrophobicContact CG1-CD2 3.81Å; V25-F337 HydrophobicContact CG1-CE2 4.41Å; V25-F337 HydrophobicContact CG1-CG 3.73Å; V25-F337 HydrophobicContact CG2-CB 4.47Å; V25-F337 HydrophobicContact CG2-CD1 4.17Å; V25-F337 HydrophobicContact CG2-CG 4.36Å
26K88.4Confident86.6Confident72 Ų7256.5 Ų56.531%0.31328%0.284SS..SBendtrans-58.3-42.8-179.859.9173.3-173.3171.50112Y22 Y309 R312Y22-K26 WeakPolarHBondContact O-CA 3.21Å; Y22-K26 WeakPolarHBondContact O-CB 3.38Å; Y22-K26 WeakPolarHBondContact O-CG 3.35Å; Y22-K26 PolarHBondContact O-N 3.11Å; K26-Y309 HydrophobicContact CB-CD1 4.11Å; K26-Y309 HydrophobicContact CB-CE1 3.56Å; K26-Y309 HydrophobicContact CB-CE2 4.25Å; K26-R312 PolarHBondContact O-NH2 3.18Å
27D85.8Confident86.1Confident120 Ų12056.6 Ų56.664%0.64229%0.285SS*.SBendtrans-102.61.6-176.8-59.3-40.4000112.2V25 R29V25-D27 VanDerWaalsContact C-N 3.31Å; V25-D27 PolarHBondContact O-N 3.44Å; D27-R29 PolarHBondContact O-N 3.39Å
28Q81.4Confident85.6Confident49 Ų4956.9 Ų56.923%0.22929%0.287CS..  trans-62.2121.8178.5-172.8-177.4-17.100109.1V25 R312 F337V25-Q28 PolarHBondContact O-N 3.27Å; Q28-R312 PolarHBondContact O-NH2 3.33Å; Q28-F337 PolarHBondContact NE2-O 3.14Å; Q28-F337 VanDerWaalsContact NE2-O 3.13Å
29R73.3Confident84.8Confident218 Ų21860 Ų6082%0.82331%0.307SS*.  trans-95.4155.8169.1-63.3-176179.7-175.8-0.7108.5D27 P31D27-R29 PolarHBondContact O-N 3.39Å; R29-P31 WeakPolarHBondContact O-CD 3.47Å
30C68.7Low84.3Confident52 Ų5262.3 Ų62.335%0.35131%0.312SS..  trans-91.793165.2-76.30000108.3
31P65.8Low83.8Confident81 Ų8162.4 Ų62.453%0.52631%0.312SS..  trans-74.3-37.3-173.829.2-35.5000112.2R29 T464 L465R29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-T464 VanDerWaalsContact O-CA 3.27Å; P31-T464 WeakPolarHBondContact O-CA 3.42Å; P31-T464 WeakPolarHBondContact O-CG2 3.48Å; P31-L465 PolarHBondContact O-N 3.06Å; P31-L465 VanDerWaalsContact O-N 3.11Å
32E84.5Confident83.2Confident107 Ų10760.4 Ų60.450%0.530%0.302SS..EExtended strand (participates in β ladder)trans-118.7134.9-168.6-65.5-175173.500111.4T462E32-T462 HydrophobicContact CB-CG2 3.92Å; E32-T462 HydrophobicContact CG-CG2 4.22Å; E32-T462 WeakPolarHBondContact OE2-CG2 3.29Å
33V88.5Confident82.7Confident20 Ų2060.4 Ų60.412%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-108.8122.9167.1168.60000108.3R45 S46 R463 L465V33-R45 HydrophobicContact CG1-CB 3.97Å; V33-S46 WeakPolarHBondContact CA-O 3.37Å; V33-R463 PolarHBondContact N-O 3.48Å; V33-R463 PolarHBondContact O-N 2.98Å; V33-L465 HydrophobicContact CB-CD2 4.31Å; V33-L465 HydrophobicContact CB-CG 4.22Å; V33-L465 HydrophobicContact CG2-CD1 3.44Å; V33-L465 VanDerWaalsContact CG2-CD1 3.44Å; V33-L465 HydrophobicContact CG2-CD2 3.79Å; V33-L465 HydrophobicContact CG2-CG 3.48Å; V33-L465 VanDerWaalsContact CG2-CG 3.48Å
34T89.6Confident82.5Confident27 Ų2756.1 Ų56.117%0.16628%0.282CS..EExtended strand (participates in β ladder)trans-88.4139171.159.90000109.3R45 S46 L459 T462T34-R45 CarbonylContact O-C 3.59Å; T34-R45 WeakPolarHBondContact O-CA 3.4Å; T34-S46 PolarHBondContact N-O 3.39Å; T34-S46 PolarHBondContact O-N 3.17Å; T34-S46 PolarHBondContact OG1-O 3.11Å; T34-S46 VanDerWaalsContact OG1-O 3.11Å; T34-L459 HydrophobicContact CG2-CD1 4.17Å; T34-T462 HydrophobicContact CG2-CG2 4.2Å
35V86.9Confident82.4Confident22 Ų2255.9 Ų55.913%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-110.5117.5170.4-175.20000106.4W43 R45 L460 S461V35-W43 HydrophobicContact CG1-CE3 3.64Å; V35-W43 HydrophobicContact CG1-CZ3 3.86Å; V35-R45 HydrophobicContact CG2-CG 4.36Å; V35-L460 HydrophobicContact CG1-CB 4.47Å; V35-L460 HydrophobicContact CG1-CD1 4.38Å; V35-L460 WeakPolarHBondContact O-CB 3.48Å; V35-L460 PolarHBondContact O-N 2.94Å; V35-S461 PolarHBondContact N-O 3.17Å; V35-S461 PolarHBondContact O-N 2.87Å
36A85.2Confident82.5Confident0 Ų055.8 Ų55.80%028%0.275CS..EExtended strand (participates in β ladder)trans-128.7157.8-178.500000110.8W43 Y44 V452 L458A36-W43 CarbonylContact O-C 3.58Å; A36-W43 VanDerWaalsContact O-CA 3.29Å; A36-W43 WeakPolarHBondContact O-CA 3.46Å; A36-Y44 HydrophobicContact CB-CD1 4.44Å; A36-Y44 HydrophobicContact CB-CE1 3.78Å; A36-Y44 HydrophobicContact CB-CE2 4.14Å; A36-Y44 PolarHBondContact N-O 3.21Å; A36-Y44 PolarHBondContact O-N 3.15Å; A36-V452 HydrophobicContact CB-CG2 4.28Å; A36-L458 CarbonylContact C-O 3.56Å; A36-L458 VanDerWaalsContact CA-O 3.23Å; A36-L458 WeakPolarHBondContact CA-O 3.41Å
37V82.6Confident82.7Confident11 Ų1153.5 Ų53.57%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-120.4132.2173.8-175.70000109.6W43 Y353 S457 L458 L460V37-W43 HydrophobicContact CG2-CB 3.85Å; V37-Y353 HydrophobicContact CB-CD2 4.3Å; V37-Y353 HydrophobicContact CB-CE2 4.12Å; V37-Y353 HydrophobicContact CG1-CD2 3.41Å; V37-Y353 VanDerWaalsContact CG1-CD2 3.41Å; V37-Y353 HydrophobicContact CG1-CE2 3.49Å; V37-Y353 VanDerWaalsContact CG1-CE2 3.49Å; V37-Y353 HydrophobicContact CG1-CG 4.19Å; V37-S457 CarbonylContact O-C 3.57Å; V37-S457 VanDerWaalsContact O-CA 3.24Å; V37-S457 WeakPolarHBondContact O-CA 3.43Å; V37-L458 PolarHBondContact N-O 3.2Å; V37-L458 PolarHBondContact O-N 2.89Å; V37-L460 HydrophobicContact CG2-CD1 3.36Å; V37-L460 HydrophobicContact CG2-CD2 4.28Å; V37-L460 HydrophobicContact CG2-CG 3.79Å
38N82.5Confident82.9Confident6 Ų648.2 Ų48.23%0.03224%0.241CC..EExtended strand (participates in β ladder)trans-117.9141.6171.6176.7-84000109.3H40 I41 G42 Y44 S455N38-H40 PolarHBondContact O-N 2.85Å; N38-H40 VanDerWaalsContact O-N 3.15Å; N38-H40 WeakPolarHBondContact OD1-CB 3.34Å; N38-H40 PolarHBondContact OD1-N 3Å; N38-I41 HydrophobicContact CB-CD1 4.34Å; N38-I41 HydrophobicContact CB-CG1 3.64Å; N38-I41 PolarHBondContact OD1-N 3.25Å; N38-G42 PolarHBondContact N-O 3.42Å; N38-G42 CarbonylContact O-C 3.58Å; N38-G42 VanDerWaalsContact O-CA 3.24Å; N38-G42 WeakPolarHBondContact O-CA 3.29Å; N38-G42 PolarHBondContact O-N 3.06Å; N38-Y44 HydrophobicContact CB-CE1 4.23Å; N38-S455 PolarHBondContact ND2-O 3.19Å
39P77.4Confident83.2Confident71 Ų7149.6 Ų49.646%0.46125%0.25SC..THydrogen-bonded Turntrans-59.5-23.9-179-26.735.4000115.7
40H80Confident83.8Confident107 Ų10740 Ų4050%0.49521%0.213SC..THydrogen-bonded Turntrans-102.9-51.7-173.6-58.6-61.7000112.9N38 G42 E69N38-H40 PolarHBondContact O-N 2.85Å; N38-H40 VanDerWaalsContact O-N 3.15Å; N38-H40 WeakPolarHBondContact OD1-CB 3.34Å; N38-H40 PolarHBondContact OD1-N 3Å; H40-G42 VanDerWaalsContact C-N 3.33Å; H40-E69 HydrophobicContact CB-CB 4.03Å; H40-E69 WeakPolarHBondContact CB-O 3.26Å
41I81.1Confident84.5Confident14 Ų1446.9 Ų46.97%0.07224%0.238CC..THydrogen-bonded Turntrans-85.9-6.8179.764165.3000113.2N38 Y44 I72 M76 I343N38-I41 HydrophobicContact CB-CD1 4.34Å; N38-I41 HydrophobicContact CB-CG1 3.64Å; N38-I41 PolarHBondContact OD1-N 3.25Å; I41-Y44 HydrophobicContact CD1-CD1 3.67Å; I41-Y44 HydrophobicContact CD1-CE1 4.04Å; I41-Y44 HydrophobicContact CD1-CG 4.21Å; I41-Y44 HydrophobicContact CG1-CD1 4.29Å; I41-I72 HydrophobicContact CB-CG2 4.42Å; I41-I72 HydrophobicContact CD1-CG1 4.26Å; I41-I72 HydrophobicContact CD1-CG2 3.69Å; I41-I72 HydrophobicContact CG1-CG2 3.82Å; I41-I72 HydrophobicContact CG2-CG2 3.74Å; I41-M76 HydrophobicContact CD1-CE 4.25Å; I41-I343 HydrophobicContact CD1-CD1 4.22Å; I41-I343 HydrophobicContact CD1-CG1 4.43Å
42G79.4Confident85.4Confident16 Ų1647.6 Ų47.617%0.16524%0.235CC..EExtended strand (participates in β ladder)trans78.4-153.3-175.500000113N38 H40N38-G42 PolarHBondContact N-O 3.42Å; N38-G42 CarbonylContact O-C 3.58Å; N38-G42 VanDerWaalsContact O-CA 3.24Å; N38-G42 WeakPolarHBondContact O-CA 3.29Å; N38-G42 PolarHBondContact O-N 3.06Å; H40-G42 VanDerWaalsContact C-N 3.33Å
43W82.4Confident85.7Confident55 Ų5542.8 Ų42.821%0.20821%0.212CC..EExtended strand (participates in β ladder)trans-80143.317787.6-68.6000111V35 A36 V37 R45 P344V35-W43 HydrophobicContact CG1-CE3 3.64Å; V35-W43 HydrophobicContact CG1-CZ3 3.86Å; A36-W43 CarbonylContact O-C 3.58Å; A36-W43 VanDerWaalsContact O-CA 3.29Å; A36-W43 WeakPolarHBondContact O-CA 3.46Å; V37-W43 HydrophobicContact CG2-CB 3.85Å; W43-R45 HydrophobicContact CE3-CG 4.45Å; W43-R45 HydrophobicContact CH2-CG 4.23Å; W43-R45 VanDerWaalsContact CH2-NE 3.29Å; W43-R45 HydrophobicContact CZ3-CG 3.73Å; W43-P344 HydrophobicContact CD2-CG 4.35Å; W43-P344 VanDerWaalsContact CE2-CG 3.44Å; W43-P344 HydrophobicContact CZ2-CG 3.55Å; W43-P344 VanDerWaalsContact NE1-CG 3.28Å
44Y87.9Confident85.7Confident1 Ų144.3 Ų44.30%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-144.4155.6177.366.4-84.6000110.4A36 N38 I41 R50 M76 Y342A36-Y44 HydrophobicContact CB-CD1 4.44Å; A36-Y44 HydrophobicContact CB-CE1 3.78Å; A36-Y44 HydrophobicContact CB-CE2 4.14Å; A36-Y44 PolarHBondContact N-O 3.21Å; A36-Y44 PolarHBondContact O-N 3.15Å; N38-Y44 HydrophobicContact CB-CE1 4.23Å; I41-Y44 HydrophobicContact CD1-CD1 3.67Å; I41-Y44 HydrophobicContact CD1-CE1 4.04Å; I41-Y44 HydrophobicContact CD1-CG 4.21Å; I41-Y44 HydrophobicContact CG1-CD1 4.29Å; Y44-R50 VanDerWaalsContact CE2-NH2 3.33Å; Y44-R50 PolarHBondContact OH-NH1 3.45Å; Y44-R50 PolarHBondContact OH-NH2 3.49Å; Y44-M76 HydrophobicContact CD2-CE 3.8Å; Y44-M76 HydrophobicContact CE1-CE 4.32Å; Y44-M76 HydrophobicContact CE2-CE 3.45Å; Y44-M76 VanDerWaalsContact CE2-CE 3.45Å; Y44-M76 HydrophobicContact CG-CE 4.37Å; Y44-Y342 WeakPolarHBondContact CA-O 3.31Å; Y44-Y342 WeakPolarHBondContact CB-O 3.29Å
45R89.6Confident85.8Confident123 Ų12344.7 Ų44.746%0.46422%0.222SC..EExtended strand (participates in β ladder)trans-105.2133.5172-61.7-175179.4177-1.3108.3V33 T34 V35 W43 N341 Y342V33-R45 HydrophobicContact CG1-CB 3.97Å; T34-R45 CarbonylContact O-C 3.59Å; T34-R45 WeakPolarHBondContact O-CA 3.4Å; V35-R45 HydrophobicContact CG2-CG 4.36Å; W43-R45 HydrophobicContact CE3-CG 4.45Å; W43-R45 HydrophobicContact CH2-CG 4.23Å; W43-R45 VanDerWaalsContact CH2-NE 3.29Å; W43-R45 HydrophobicContact CZ3-CG 3.73Å; R45-N341 CarbonylContact O-C 3.49Å; R45-N341 WeakPolarHBondContact O-CA 3.17Å; R45-Y342 PolarHBondContact N-O 3.35Å; R45-Y342 PolarHBondContact O-N 2.9Å
46S91.9Very high85.9Confident0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-131.5128.9178.7-172.20000110.8V33 T34 A48 M340 N341V33-S46 WeakPolarHBondContact CA-O 3.37Å; T34-S46 PolarHBondContact N-O 3.39Å; T34-S46 PolarHBondContact O-N 3.17Å; T34-S46 PolarHBondContact OG1-O 3.11Å; T34-S46 VanDerWaalsContact OG1-O 3.11Å; S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 WeakPolarHBondContact OG-CB 3.35Å; S46-A48 PolarHBondContact OG-N 3.02Å; S46-M340 WeakPolarHBondContact CA-O 3.32Å; S46-N341 WeakPolarHBondContact CB-OD1 3.24Å; S46-N341 PolarHBondContact OG-OD1 2.99Å
47S91.8Very high85.8Confident24 Ų2452 Ų5217%0.16826%0.26CS..  trans-92.32.516664.50000112.7D49 G339 M340S47-D49 PolarHBondContact O-N 3.5Å; S47-G339 WeakPolarHBondContact OG-CA 3.36Å; S47-M340 PolarHBondContact N-O 3.23Å; S47-M340 PolarHBondContact OG-N 2.84Å; S47-M340 PolarHBondContact OG-O 3.12Å
48A90.5Very high85.6Confident9 Ų952.3 Ų52.37%0.07426%0.262CS..  trans-73.3123.7-17900000111.2S46 R50 E81 Q338S46-A48 VanDerWaalsContact C-N 3.34Å; S46-A48 WeakPolarHBondContact OG-CB 3.35Å; S46-A48 PolarHBondContact OG-N 3.02Å; A48-R50 PolarHBondContact O-N 3.2Å; A48-E81 HydrophobicContact CB-CG 4.08Å; A48-Q338 VanDerWaalsContact CA-O 3.22Å; A48-Q338 WeakPolarHBondContact CA-O 3.49Å; A48-Q338 WeakPolarHBondContact CB-O 3.48Å
49D87.2Confident85.7Confident77 Ų7761 Ų6141%0.41230%0.3SS..  trans-81.293.4171.5-175.2-7.9000109.8S47 K51 M52 F53S47-D49 PolarHBondContact O-N 3.5Å; D49-K51 PolarHBondContact O-N 3.19Å; D49-K51 WeakPolarHBondContact OD1-CA 3.37Å; D49-K51 VanDerWaalsContact OD1-CB 3.28Å; D49-K51 WeakPolarHBondContact OD1-CB 3.29Å; D49-K51 PolarHBondContact OD1-N 3.42Å; D49-M52 HydrophobicContact CB-CB 4.09Å; D49-M52 PolarHBondContact O-N 3.33Å; D49-M52 PolarHBondContact OD1-N 3.39Å; D49-F53 PolarHBondContact O-N 3.47Å
50R85.2Confident86.1Confident16 Ų1658.5 Ų58.56%0.0628%0.282CS..THydrogen-bonded Turntrans-72.1-11.4179-61.5-173-171.8160.14.6114Y44 A48 P54 D453Y44-R50 VanDerWaalsContact CE2-NH2 3.33Å; Y44-R50 PolarHBondContact OH-NH1 3.45Å; Y44-R50 PolarHBondContact OH-NH2 3.49Å; A48-R50 PolarHBondContact O-N 3.2Å; R50-P54 VanDerWaalsContact O-CA 3.24Å; R50-P54 WeakPolarHBondContact O-CA 3.44Å; R50-D453 WeakPolarHBondContact CD-OD2 3.2Å; R50-D453 IonicContact NH1-OD2 3.21Å
51K84.7Confident86.5Confident198 Ų19857 Ų5786%0.86128%0.283SS*.THydrogen-bonded Turntrans-74.7-42.5169.6-59.8175.8-180171.40110D49D49-K51 PolarHBondContact O-N 3.19Å; D49-K51 WeakPolarHBondContact OD1-CA 3.37Å; D49-K51 VanDerWaalsContact OD1-CB 3.28Å; D49-K51 WeakPolarHBondContact OD1-CB 3.29Å; D49-K51 PolarHBondContact OD1-N 3.42Å
52M85.4Confident86.9Confident95 Ų9557.4 Ų57.447%0.46828%0.284SS..THydrogen-bonded Turntrans-75.2-39.6176.5-170.2176.1-176.600112.1D49 P54D49-M52 HydrophobicContact CB-CB 4.09Å; D49-M52 PolarHBondContact O-N 3.33Å; D49-M52 PolarHBondContact OD1-N 3.39Å; M52-P54 VanDerWaalsContact C-CD 3.45Å; M52-P54 WeakPolarHBondContact O-CD 3.38Å
53F89.2Confident87.3Confident6 Ų662.9 Ų62.93%0.02631%0.306CS..SBendtrans-122.867-176.8-55.7-63000111.9I20 D49 N79 F337 Q338I20-F53 HydrophobicContact CD1-CE1 3.64Å; I20-F53 HydrophobicContact CD1-CZ 4.35Å; D49-F53 PolarHBondContact O-N 3.47Å; F53-N79 PolarHBondContact O-ND2 2.99Å; F53-F337 HydrophobicContact CE1-CD2 4.32Å; F53-F337 AromaticContact CE1-CE2 3.9Å; F53-F337 HydrophobicContact CE1-CE2 3.9Å; F53-F337 HydrophobicContact CE2-CD2 4.12Å; F53-F337 HydrophobicContact CE2-CE2 4.44Å; F53-F337 AromaticContact CZ-CD2 3.67Å; F53-F337 HydrophobicContact CZ-CD2 3.67Å; F53-F337 AromaticContact CZ-CE2 3.73Å; F53-F337 HydrophobicContact CZ-CE2 3.73Å; F53-Q338 HydrophobicContact CD1-CG 4.39Å; F53-Q338 HydrophobicContact CD2-CB 4.4Å; F53-Q338 HydrophobicContact CD2-CG 4.19Å; F53-Q338 HydrophobicContact CE2-CG 4.38Å; F53-Q338 HydrophobicContact CG-CG 4.18Å
54P90.2Very high87.6Confident52 Ų5260.9 Ų60.934%0.33830%0.3SS..PPolyproline II helixtrans-62.4152.5-179.327.6-36000111.3R16 R50 M52 L56 N79R16-P54 PolarHBondContact NH1-O 3.39Å; R50-P54 VanDerWaalsContact O-CA 3.24Å; R50-P54 WeakPolarHBondContact O-CA 3.44Å; M52-P54 VanDerWaalsContact C-CD 3.45Å; M52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-L56 PolarHBondContact O-N 3.21Å; P54-N79 PolarHBondContact O-OD1 2.96Å
55F91.1Very high87.7Confident35 Ų3567.7 Ų67.715%0.15434%0.336CS..PPolyproline II helixtrans-63.2123.7173.9-65-42000111I72 K75 M76 N79 E81F55-I72 HydrophobicContact CE2-CD1 3.99Å; F55-I72 HydrophobicContact CZ-CD1 4.12Å; F55-K75 HydrophobicContact CB-CD 4.43Å; F55-K75 HydrophobicContact CD1-CB 4.07Å; F55-K75 HydrophobicContact CD2-CB 4.23Å; F55-K75 HydrophobicContact CE1-CB 4.07Å; F55-K75 HydrophobicContact CE2-CB 4.23Å; F55-K75 HydrophobicContact CG-CB 4.16Å; F55-K75 HydrophobicContact CZ-CB 4.15Å; F55-M76 HydrophobicContact CZ-CG 4.42Å; F55-N79 HydrophobicContact CD1-CB 3.91Å; F55-N79 HydrophobicContact CE1-CB 4.13Å; F55-E81 VanDerWaalsContact CE1-OE1 3.28Å; F55-E81 WeakPolarHBondContact CE1-OE1 3.44Å
56L88.6Confident87.6Confident28 Ų2863.9 Ų63.915%0.14733%0.325CS..PPolyproline II helixtrans-98.6138.3176.4-57.5178.5000111P54 T58P54-L56 PolarHBondContact O-N 3.21Å; L56-T58 HydrophobicContact CB-CG2 3.81Å; L56-T58 PolarHBondContact O-N 3.42Å
57N82.5Confident87.5Confident147 Ų14768.9 Ų68.979%0.78635%0.346SS*.  trans-85.979171.1-75.2-22.3000109.6K75N57-K75 PolarHBondContact OD1-NZ 3.4Å
58T78.6Confident87.1Confident18 Ų1871.4 Ų71.411%0.1137%0.369CS..PPolyproline II helixtrans-90.5129.7-179.774.30000111S12 L56 N60 R109S12-T58 VanDerWaalsContact CA-CG2 3.43Å; L56-T58 HydrophobicContact CB-CG2 3.81Å; L56-T58 PolarHBondContact O-N 3.42Å; T58-N60 PolarHBondContact O-N 3Å; T58-N60 PolarHBondContact OG1-OD1 2.86Å; T58-R109 PolarHBondContact OG1-NH2 3.33Å
59K84.4Confident86.8Confident190 Ų19075.2 Ų75.283%0.82639%0.385SS*.PPolyproline II helixtrans-62.4122.9167.8-68.9-172.3177.4-176.10109.3R109K59-R109 PolarHBondContact O-NH2 2.81Å
60N87Confident86.9Confident17 Ų1772 Ų729%0.09137%0.368CS..PPolyproline II helixtrans-96.3145.9177.7-77.3-30.9000109.6T58 I62 E63 Y74 R109T58-N60 PolarHBondContact O-N 3Å; T58-N60 PolarHBondContact OG1-OD1 2.86Å; N60-I62 WeakPolarHBondContact CB-O 3.34Å; N60-I62 PolarHBondContact O-N 3.32Å; N60-E63 HydrophobicContact CB-CG 4.14Å; N60-Y74 PolarHBondContact ND2-OH 3.33Å; N60-R109 PolarHBondContact OD1-NH2 2.96Å
61P87Confident87.2Confident77 Ų7775.5 Ų75.550%0.538%0.384SS..SBendtrans-52.6-34.6170.9-27.333.2000113.1N105 L108 R109P61-N105 VanDerWaalsContact CD-OD1 3.24Å; P61-N105 WeakPolarHBondContact CD-OD1 3.26Å; P61-L108 HydrophobicContact CB-CD1 4.07Å; P61-L108 HydrophobicContact CG-CB 4.41Å; P61-R109 HydrophobicContact CG-CG 4.4Å
62I89.8Confident87.4Confident21 Ų2166.3 Ų66.311%0.10834%0.344CS..SBendtrans-130.3121.5178.5-62172.3000108.1N60 L104 N105 L108 L160N60-I62 WeakPolarHBondContact CB-O 3.34Å; N60-I62 PolarHBondContact O-N 3.32Å; I62-L104 HydrophobicContact CD1-CD2 3.15Å; I62-L104 HydrophobicContact CD1-CG 3.55Å; I62-N105 PolarHBondContact N-OD1 3.44Å; I62-N105 PolarHBondContact O-ND2 3.08Å; I62-N105 PolarHBondContact O-OD1 3.42Å; I62-L108 HydrophobicContact CD1-CD1 3.84Å; I62-L108 HydrophobicContact CG1-CD1 4.36Å; I62-L160 HydrophobicContact CG2-CB 4.28Å; I62-L160 HydrophobicContact CG2-CD2 3.98Å
63E87.6Confident87.8Confident131 Ų13161.8 Ų61.861%0.61232%0.321SS*.  trans-108.2111.3175.9-69.7-179.4176.800108.1N60N60-E63 HydrophobicContact CB-CG 4.14Å
64P89.4Confident88Confident13 Ų1362.4 Ų62.48%0.08432%0.324CS..  trans-71.5159.7174.632.2-36.3000110.8I66 Y74 L97 S101 L160P64-I66 HydrophobicContact CG-CD1 4.27Å; P64-I66 HydrophobicContact CG-CG1 3.9Å; P64-I66 PolarHBondContact O-N 2.89Å; P64-Y74 HydrophobicContact CG-CE2 4.4Å; P64-L97 HydrophobicContact CB-CD1 4.41Å; P64-L97 HydrophobicContact CB-CD2 3.86Å; P64-L97 HydrophobicContact CB-CG 3.78Å; P64-S101 WeakPolarHBondContact CG-OG 3.21Å; P64-L160 HydrophobicContact CB-CD2 4.09Å
65D89.6Confident88.1Confident144 Ų14460.9 Ų60.977%0.7731%0.312SS*.  trans-72.7108.1167.1-172.318.3000109.3
66I88.1Confident88.3Confident44 Ų4459.2 Ų59.223%0.22630%0.304CS..  trans-100119.5-173.2-60.2154.1000108.5P64 D70 Y74 L98P64-I66 HydrophobicContact CG-CD1 4.27Å; P64-I66 HydrophobicContact CG-CG1 3.9Å; P64-I66 PolarHBondContact O-N 2.89Å; I66-D70 HydrophobicContact CG2-CB 4.35Å; I66-Y74 HydrophobicContact CD1-CD1 3.51Å; I66-Y74 HydrophobicContact CD1-CD2 3.77Å; I66-Y74 HydrophobicContact CD1-CE1 3.44Å; I66-Y74 VanDerWaalsContact CD1-CE1 3.44Å; I66-Y74 HydrophobicContact CD1-CE2 3.71Å; I66-Y74 HydrophobicContact CD1-CG 3.65Å; I66-Y74 HydrophobicContact CG1-CD2 4.28Å; I66-Y74 HydrophobicContact CG1-CG 4.29Å; I66-L98 HydrophobicContact CG1-CD2 4.14Å; I66-L98 HydrophobicContact CG2-CD2 4.43Å
67K88.9Confident88.6Confident104 Ų10457.9 Ų57.945%0.45230%0.298SS..  trans-65.8148.9171.1-59.5-178.71801750110.6E69 D70 F71K67-E69 HydrophobicContact CB-CG 3.88Å; K67-E69 HydrophobicContact CD-CG 4.26Å; K67-E69 WeakPolarHBondContact CD-OE1 3.14Å; K67-E69 IonicContact NZ-OE1 3.17Å; K67-E69 PolarHBondContact NZ-OE1 3.47Å; K67-E69 PolarHBondContact O-N 3.34Å; K67-D70 PolarHBondContact O-N 2.87Å; K67-F71 PolarHBondContact O-N 3.31Å
68A85.5Confident89.2Confident77 Ų7751.2 Ų51.264%0.63626%0.262SS*.G310 helixtrans-56-35.3178.100000112.9D70 F71A68-D70 VanDerWaalsContact C-N 3.27Å; A68-D70 PolarHBondContact O-N 3.45Å; A68-F71 PolarHBondContact O-N 3.33Å
69E83.7Confident90Very high89 Ų8950.4 Ų50.442%0.41626%0.257SS..G310 helixtrans-64.9-28.9178.563.7-166.2179.400114H40 K67H40-E69 HydrophobicContact CB-CB 4.03Å; H40-E69 WeakPolarHBondContact CB-O 3.26Å; K67-E69 HydrophobicContact CB-CG 3.88Å; K67-E69 HydrophobicContact CD-CG 4.26Å; K67-E69 WeakPolarHBondContact CD-OE1 3.14Å; K67-E69 IonicContact NZ-OE1 3.17Å; K67-E69 PolarHBondContact NZ-OE1 3.47Å; K67-E69 PolarHBondContact O-N 3.34Å
70D89.3Confident90.5Very high10 Ų1041.5 Ų41.55%0.05322%0.218CC..G310 helixtrans-96.1-3.1-174.1-74.5-37.9000113.1I66 K67 A68 I72 L73 Y74 S94 L98I66-D70 HydrophobicContact CG2-CB 4.35Å; K67-D70 PolarHBondContact O-N 2.87Å; A68-D70 VanDerWaalsContact C-N 3.27Å; A68-D70 PolarHBondContact O-N 3.45Å; D70-I72 PolarHBondContact O-N 2.88Å; D70-L73 PolarHBondContact O-N 3.4Å; D70-Y74 WeakPolarHBondContact O-CB 3.4Å; D70-Y74 PolarHBondContact O-N 2.8Å; D70-S94 WeakPolarHBondContact OD2-CB 3.29Å; D70-S94 PolarHBondContact OD2-OG 3.41Å; D70-L98 HydrophobicContact CB-CD1 3.96Å
71F90.6Very high90.9Very high90 Ų9040.7 Ų40.740%0.39521%0.214SC..Hα-helixtrans-62.5-42.8-169.3-175.4-102.1000113.6K67 A68 Y74 K75K67-F71 PolarHBondContact O-N 3.31Å; A68-F71 PolarHBondContact O-N 3.33Å; F71-Y74 WeakPolarHBondContact O-CB 3.33Å; F71-Y74 PolarHBondContact O-N 2.68Å; F71-K75 HydrophobicContact CD1-CG 4.46Å; F71-K75 HydrophobicContact CE1-CG 4.16Å; F71-K75 HydrophobicContact CZ-CG 4.41Å; F71-K75 WeakPolarHBondContact O-CG 3.43Å; F71-K75 PolarHBondContact O-N 3.46Å
72I90.2Very high91.4Very high4 Ų437.1 Ų37.12%0.02119%0.191CC..Hα-helixtrans-67.7-39.4178-177.853.4000111.5I41 F55 D70 Y74 K75 M76I41-I72 HydrophobicContact CB-CG2 4.42Å; I41-I72 HydrophobicContact CD1-CG1 4.26Å; I41-I72 HydrophobicContact CD1-CG2 3.69Å; I41-I72 HydrophobicContact CG1-CG2 3.82Å; I41-I72 HydrophobicContact CG2-CG2 3.74Å; F55-I72 HydrophobicContact CE2-CD1 3.99Å; F55-I72 HydrophobicContact CZ-CD1 4.12Å; D70-I72 PolarHBondContact O-N 2.88Å; I72-Y74 VanDerWaalsContact C-N 3.35Å; I72-K75 WeakPolarHBondContact O-CB 3.47Å; I72-K75 PolarHBondContact O-N 2.99Å; I72-K75 VanDerWaalsContact O-N 3.17Å; I72-M76 HydrophobicContact CD1-CE 4.12Å; I72-M76 HydrophobicContact CG1-CE 3.85Å; I72-M76 HydrophobicContact CG1-SD 4.46Å; I72-M76 WeakPolarHBondContact O-CG 3.11Å; I72-M76 PolarHBondContact O-N 2.88Å
73L92.5Very high91.7Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-63.3-43.9176.2-179.461000110.4D70 K75 M76 I77 V83 Y85 I95 L98 I343D70-L73 PolarHBondContact O-N 3.4Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.38Å; L73-M76 PolarHBondContact O-N 3.34Å; L73-I77 HydrophobicContact CD1-CD1 4.14Å; L73-I77 HydrophobicContact CD1-CG1 4.45Å; L73-I77 HydrophobicContact CG-CD1 3.94Å; L73-I77 WeakPolarHBondContact O-CB 3.38Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.15Å; L73-I77 PolarHBondContact O-N 2.92Å; L73-V83 HydrophobicContact CD1-CG1 3.66Å; L73-Y85 HydrophobicContact CD1-CD2 4.27Å; L73-Y85 HydrophobicContact CD2-CD2 4.03Å; L73-Y85 HydrophobicContact CD2-CE2 4.1Å; L73-I95 HydrophobicContact CD2-CD1 4.45Å; L73-I95 HydrophobicContact CD2-CG1 4.27Å; L73-L98 HydrophobicContact CB-CD1 4.33Å; L73-L98 HydrophobicContact CD2-CD1 3.94Å; L73-L98 HydrophobicContact CG-CD1 4.03Å; L73-I343 HydrophobicContact CD1-CD1 4.23Å
74Y93.9Very high92.1Very high20 Ų2029.9 Ų29.98%0.07816%0.157CC..Hα-helixtrans-57.6-41172.6173.5-106000112.5N60 P64 I66 D70 F71 I72 T78 L98N60-Y74 PolarHBondContact ND2-OH 3.33Å; P64-Y74 HydrophobicContact CG-CE2 4.4Å; I66-Y74 HydrophobicContact CD1-CD1 3.51Å; I66-Y74 HydrophobicContact CD1-CD2 3.77Å; I66-Y74 HydrophobicContact CD1-CE1 3.44Å; I66-Y74 VanDerWaalsContact CD1-CE1 3.44Å; I66-Y74 HydrophobicContact CD1-CE2 3.71Å; I66-Y74 HydrophobicContact CD1-CG 3.65Å; I66-Y74 HydrophobicContact CG1-CD2 4.28Å; I66-Y74 HydrophobicContact CG1-CG 4.29Å; D70-Y74 WeakPolarHBondContact O-CB 3.4Å; D70-Y74 PolarHBondContact O-N 2.8Å; F71-Y74 WeakPolarHBondContact O-CB 3.33Å; F71-Y74 PolarHBondContact O-N 2.68Å; I72-Y74 VanDerWaalsContact C-N 3.35Å; Y74-T78 HydrophobicContact CD2-CG2 3.83Å; Y74-T78 HydrophobicContact CE1-CG2 4.2Å; Y74-T78 HydrophobicContact CE2-CG2 3.41Å; Y74-T78 VanDerWaalsContact CE2-CG2 3.41Å; Y74-T78 HydrophobicContact CG-CG2 4.41Å; Y74-T78 WeakPolarHBondContact O-CB 3.39Å; Y74-T78 WeakPolarHBondContact O-CG2 3.25Å; Y74-T78 PolarHBondContact O-N 3.42Å; Y74-T78 PolarHBondContact O-OG1 3.02Å; Y74-L98 HydrophobicContact CD2-CD2 4.03Å; Y74-L98 HydrophobicContact CG-CD2 4.43Å
75K93Very high92.3Very high19 Ų1929.9 Ų29.98%0.08316%0.155CC..Hα-helixtrans-63.7-47.8176.1-72.5-61.7-172.3-175.50112.4F55 N57 F71 I72 L73 I77 T78 N79F55-K75 HydrophobicContact CB-CD 4.43Å; F55-K75 HydrophobicContact CD1-CB 4.07Å; F55-K75 HydrophobicContact CD2-CB 4.23Å; F55-K75 HydrophobicContact CE1-CB 4.07Å; F55-K75 HydrophobicContact CE2-CB 4.23Å; F55-K75 HydrophobicContact CG-CB 4.16Å; F55-K75 HydrophobicContact CZ-CB 4.15Å; N57-K75 PolarHBondContact OD1-NZ 3.4Å; F71-K75 HydrophobicContact CD1-CG 4.46Å; F71-K75 HydrophobicContact CE1-CG 4.16Å; F71-K75 HydrophobicContact CZ-CG 4.41Å; F71-K75 WeakPolarHBondContact O-CG 3.43Å; F71-K75 PolarHBondContact O-N 3.46Å; I72-K75 WeakPolarHBondContact O-CB 3.47Å; I72-K75 PolarHBondContact O-N 2.99Å; I72-K75 VanDerWaalsContact O-N 3.17Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.38Å; K75-I77 PolarHBondContact O-N 3.47Å; K75-T78 PolarHBondContact O-N 3.1Å; K75-T78 PolarHBondContact O-OG1 3.24Å; K75-N79 VanDerWaalsContact O-CB 3.28Å; K75-N79 WeakPolarHBondContact O-CB 3.24Å; K75-N79 PolarHBondContact O-N 2.81Å
76M94.5Very high92.4Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-57-49.1175.9-66.8165.7171.600111.2I41 Y44 F55 I72 L73 N79 E81 V83 N341I41-M76 HydrophobicContact CD1-CE 4.25Å; Y44-M76 HydrophobicContact CD2-CE 3.8Å; Y44-M76 HydrophobicContact CE1-CE 4.32Å; Y44-M76 HydrophobicContact CE2-CE 3.45Å; Y44-M76 VanDerWaalsContact CE2-CE 3.45Å; Y44-M76 HydrophobicContact CG-CE 4.37Å; F55-M76 HydrophobicContact CZ-CG 4.42Å; I72-M76 HydrophobicContact CD1-CE 4.12Å; I72-M76 HydrophobicContact CG1-CE 3.85Å; I72-M76 HydrophobicContact CG1-SD 4.46Å; I72-M76 WeakPolarHBondContact O-CG 3.11Å; I72-M76 PolarHBondContact O-N 2.88Å; L73-M76 PolarHBondContact O-N 3.34Å; M76-N79 PolarHBondContact O-N 3.07Å; M76-E81 PolarHBondContact O-N 3.08Å; M76-V83 HydrophobicContact CB-CG2 3.92Å; M76-N341 HydrophobicContact CE-CB 4.28Å; M76-N341 HydrophobicContact SD-CB 3.92Å
77I95.7Very high92.2Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-60.2-51.2179.7-69.4169.4000111.1L73 K75 N79 Y80 V83 L98 H102 Q315 L317 F319L73-I77 HydrophobicContact CD1-CD1 4.14Å; L73-I77 HydrophobicContact CD1-CG1 4.45Å; L73-I77 HydrophobicContact CG-CD1 3.94Å; L73-I77 WeakPolarHBondContact O-CB 3.38Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.15Å; L73-I77 PolarHBondContact O-N 2.92Å; K75-I77 PolarHBondContact O-N 3.47Å; I77-N79 VanDerWaalsContact C-N 3.25Å; I77-N79 PolarHBondContact O-N 3.24Å; I77-Y80 PolarHBondContact O-N 3.04Å; I77-V83 HydrophobicContact CG1-CG2 4.25Å; I77-L98 HydrophobicContact CD1-CB 4.2Å; I77-L98 HydrophobicContact CD1-CD1 4.43Å; I77-H102 HydrophobicContact CG2-CB 3.59Å; I77-H102 VanDerWaalsContact CG2-CG 3.41Å; I77-H102 PolarHBondContact O-CE1 3.43Å; I77-H102 PolarHBondContact O-NE2 2.63Å; I77-Q315 PolarHBondContact O-NE2 3.39Å; I77-L317 HydrophobicContact CG1-CD1 4.24Å; I77-L317 HydrophobicContact CG1-CD2 4.05Å; I77-L317 HydrophobicContact CG2-CD1 3.94Å; I77-F319 HydrophobicContact CD1-CZ 4.25Å
78T94.6Very high92.1Very high8 Ų819.4 Ų19.45%0.04910%0.101CC..Hα-helixtrans-72-18.3-177.753.60000113.8S13 Y74 K75 Y80S13-T78 WeakPolarHBondContact CB-O 3.32Å; Y74-T78 HydrophobicContact CD2-CG2 3.83Å; Y74-T78 HydrophobicContact CE1-CG2 4.2Å; Y74-T78 HydrophobicContact CE2-CG2 3.41Å; Y74-T78 VanDerWaalsContact CE2-CG2 3.41Å; Y74-T78 HydrophobicContact CG-CG2 4.41Å; Y74-T78 WeakPolarHBondContact O-CB 3.39Å; Y74-T78 WeakPolarHBondContact O-CG2 3.25Å; Y74-T78 PolarHBondContact O-N 3.42Å; Y74-T78 PolarHBondContact O-OG1 3.02Å; K75-T78 PolarHBondContact O-N 3.1Å; K75-T78 PolarHBondContact O-OG1 3.24Å; T78-Y80 PolarHBondContact O-N 3.09Å
79N94.1Very high92.1Very high1 Ų117.5 Ų17.51%0.0058%0.082CC..Hα-helixtrans-72.8-19.9174.7-15038.2000112.8R16 F53 P54 F55 K75 M76 I77 E81 Q338R16-N79 PolarHBondContact NH2-ND2 3.08Å; R16-N79 PolarHBondContact NH2-O 2.82Å; R16-N79 PolarHBondContact NH2-OD1 3Å; F53-N79 PolarHBondContact O-ND2 2.99Å; P54-N79 PolarHBondContact O-OD1 2.96Å; F55-N79 HydrophobicContact CD1-CB 3.91Å; F55-N79 HydrophobicContact CE1-CB 4.13Å; K75-N79 VanDerWaalsContact O-CB 3.28Å; K75-N79 WeakPolarHBondContact O-CB 3.24Å; K75-N79 PolarHBondContact O-N 2.81Å; M76-N79 PolarHBondContact O-N 3.07Å; I77-N79 VanDerWaalsContact C-N 3.25Å; I77-N79 PolarHBondContact O-N 3.24Å; N79-E81 HydrophobicContact CB-CG 4.21Å; N79-E81 PolarHBondContact ND2-OE1 3.04Å; N79-Q338 VanDerWaalsContact C-OE1 3.3Å; N79-Q338 PolarHBondContact O-NE2 2.87Å; N79-Q338 PolarHBondContact O-OE1 3.15Å
80Y95.9Very high91.7Very high2 Ų215.2 Ų15.21%0.0088%0.075CC..THydrogen-bonded Turntrans8030.3-167.4-70.3-103.9000114.5F14 H17 F18 I77 T78 H102 H106 Q315 N336 Q338F14-Y80 HydrophobicContact CB-CE2 4.02Å; F14-Y80 HydrophobicContact CD2-CE2 4.47Å; F14-Y80 AromaticContact CD2-CZ 3.91Å; F14-Y80 WeakPolarHBondContact CD2-OH 3.19Å; H17-Y80 HydrophobicContact CB-CD2 4.44Å; H17-Y80 HydrophobicContact CB-CG 4.12Å; H17-Y80 AromaticContact CG-CG 3.97Å; H17-Y80 WeakPolarHBondContact ND1-CB 3.38Å; F18-Y80 HydrophobicContact CE2-CD1 4.06Å; F18-Y80 AromaticContact CE2-CE1 3.57Å; F18-Y80 HydrophobicContact CE2-CE1 3.57Å; F18-Y80 HydrophobicContact CZ-CD1 4.21Å; F18-Y80 AromaticContact CZ-CE1 3.92Å; F18-Y80 HydrophobicContact CZ-CE1 3.92Å; I77-Y80 PolarHBondContact O-N 3.04Å; T78-Y80 PolarHBondContact O-N 3.09Å; Y80-H102 AromaticContact CE2-CE1 3.84Å; Y80-H102 AromaticContact CZ-CE1 3.75Å; Y80-H106 AromaticContact CE1-ND1 3.61Å; Y80-H106 AromaticContact CZ-ND1 3.71Å; Y80-H106 PolarHBondContact OH-ND1 2.91Å; Y80-Q315 HydrophobicContact CD1-CB 4.35Å; Y80-N336 PolarHBondContact O-ND2 2.85Å; Y80-Q338 PolarHBondContact O-OE1 3Å; Y80-Q338 VanDerWaalsContact O-OE1 3.09Å
81E95.5Very high91Very high1 Ų119.3 Ų19.31%0.0059%0.094CC..  trans-85.4147.4171.9-64.4165-153.800110.8A48 F55 M76 N79 Q315 Q338 N341A48-E81 HydrophobicContact CB-CG 4.08Å; F55-E81 VanDerWaalsContact CE1-OE1 3.28Å; F55-E81 WeakPolarHBondContact CE1-OE1 3.44Å; M76-E81 PolarHBondContact O-N 3.08Å; N79-E81 HydrophobicContact CB-CG 4.21Å; N79-E81 PolarHBondContact ND2-OE1 3.04Å; E81-Q315 WeakPolarHBondContact O-CG 3.5Å; E81-Q315 PolarHBondContact O-NE2 2.86Å; E81-Q338 HydrophobicContact CG-CB 4.37Å; E81-N341 WeakPolarHBondContact CB-ND2 3.38Å; E81-N341 PolarHBondContact OE2-ND2 3.01Å
82D96.8Very high90.4Very high1 Ų116.3 Ų16.31%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-68.7144.9170.7-73.6-2.4000109.9Q315 T316 C334 N336 G339 M340 N341D82-Q315 VanDerWaalsContact OD1-CA 3.26Å; D82-Q315 WeakPolarHBondContact OD1-CA 3.3Å; D82-T316 WeakPolarHBondContact CA-O 3.41Å; D82-T316 PolarHBondContact OD1-N 3.41Å; D82-C334 VanDerWaalsContact OD2-CB 3.3Å; D82-C334 WeakPolarHBondContact OD2-CB 3.31Å; D82-N336 HydrophobicContact CB-CB 4.5Å; D82-N336 VanDerWaalsContact CG-CB 3.4Å; D82-N336 PolarHBondContact N-ND2 2.87Å; D82-N336 VanDerWaalsContact OD1-CB 3.32Å; D82-N336 WeakPolarHBondContact OD1-CB 3.32Å; D82-N336 PolarHBondContact OD1-ND2 2.94Å; D82-N336 VanDerWaalsContact OD2-CB 3.24Å; D82-N336 WeakPolarHBondContact OD2-CB 3.41Å; D82-G339 PolarHBondContact N-O 2.69Å; D82-M340 HydrophobicContact CB-CB 3.79Å; D82-M340 HydrophobicContact CB-CG 3.77Å; D82-M340 CarbonylContact O-C 3.59Å; D82-M340 WeakPolarHBondContact O-CA 3.46Å; D82-N341 PolarHBondContact O-N 3.24Å; D82-N341 PolarHBondContact O-ND2 2.97Å
83V96.4Very high90.2Very high0 Ų022.1 Ų22.10%011%0.109CC..EExtended strand (participates in β ladder)trans-137.8122.8-178.1-178.70000110.1L73 M76 I77 T316 L317 L318 N341 I343L73-V83 HydrophobicContact CD1-CG1 3.66Å; M76-V83 HydrophobicContact CB-CG2 3.92Å; I77-V83 HydrophobicContact CG1-CG2 4.25Å; V83-T316 PolarHBondContact N-O 3.49Å; V83-L317 HydrophobicContact CB-CD2 3.78Å; V83-L317 HydrophobicContact CG2-CD2 3.88Å; V83-L317 CarbonylContact O-C 3.56Å; V83-L317 WeakPolarHBondContact O-CA 3.23Å; V83-L318 PolarHBondContact O-N 3.19Å; V83-N341 WeakPolarHBondContact CA-O 3.47Å; V83-I343 HydrophobicContact CG1-CD1 4.1Å
84F95.6Very high90.1Very high1 Ų122.7 Ų22.70%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-110.697.5169.5-81.9-122.5000107.3T316 L318 I327 L330 M340 N341 Y342 I343F84-T316 HydrophobicContact CE2-CG2 4.44Å; F84-L318 HydrophobicContact CD1-CB 4.21Å; F84-L318 HydrophobicContact CD1-CD1 4.23Å; F84-L318 HydrophobicContact CD1-CD2 4.2Å; F84-L318 HydrophobicContact CD1-CG 4.45Å; F84-L318 HydrophobicContact CD2-CB 4.34Å; F84-L318 HydrophobicContact CE1-CB 4.27Å; F84-L318 HydrophobicContact CE1-CD1 3.82Å; F84-L318 HydrophobicContact CE1-CG 4.46Å; F84-L318 HydrophobicContact CE2-CB 4.38Å; F84-L318 HydrophobicContact CG-CB 4.24Å; F84-L318 HydrophobicContact CZ-CB 4.35Å; F84-L318 HydrophobicContact CZ-CD1 4.28Å; F84-I327 HydrophobicContact CD1-CG2 4.23Å; F84-I327 HydrophobicContact CE1-CG2 4.48Å; F84-I327 WeakPolarHBondContact CE1-O 3.3Å; F84-L330 HydrophobicContact CE1-CB 4.42Å; F84-M340 HydrophobicContact CD2-CG 4.17Å; F84-M340 HydrophobicContact CD2-SD 3.65Å; F84-M340 HydrophobicContact CE2-SD 3.76Å; F84-M340 HydrophobicContact CG-SD 4.34Å; F84-N341 PolarHBondContact N-O 3.17Å; F84-Y342 HydrophobicContact CB-CD2 3.86Å; F84-I343 PolarHBondContact O-N 2.99Å
85Y94Very high90Very high12 Ų1221.9 Ų21.95%0.04711%0.11CC..EExtended strand (participates in β ladder)trans-100.498.6-178.7-177.4-89.7000109.6L73 H87 I95 L318 F319 S320 I343L73-Y85 HydrophobicContact CD1-CD2 4.27Å; L73-Y85 HydrophobicContact CD2-CD2 4.03Å; L73-Y85 HydrophobicContact CD2-CE2 4.1Å; Y85-H87 VanDerWaalsContact C-N 3.33Å; Y85-H87 HydrophobicContact CD1-CB 4.43Å; Y85-H87 HydrophobicContact CE1-CB 3.78Å; Y85-H87 WeakPolarHBondContact CE1-O 3.45Å; Y85-H87 HydrophobicContact CE2-CB 4.14Å; Y85-H87 PolarHBondContact O-N 3.33Å; Y85-H87 PolarHBondContact OH-CD2 3.03Å; Y85-H87 PolarHBondContact OH-O 2.88Å; Y85-I95 HydrophobicContact CD1-CD1 3.73Å; Y85-I95 HydrophobicContact CE1-CD1 3.1Å; Y85-I95 HydrophobicContact CE2-CD1 4.3Å; Y85-I95 VanDerWaalsContact CZ-CD1 3.42Å; Y85-L318 PolarHBondContact N-O 3.43Å; Y85-F319 HydrophobicContact CD1-CD1 4.1Å; Y85-F319 HydrophobicContact CG-CD1 4.18Å; Y85-F319 WeakPolarHBondContact O-CA 3.44Å; Y85-S320 PolarHBondContact O-N 2.77Å; Y85-S320 VanDerWaalsContact O-O 3.08Å; Y85-I343 HydrophobicContact CD2-CB 4.36Å; Y85-I343 HydrophobicContact CD2-CD1 3.79Å; Y85-I343 HydrophobicContact CD2-CG2 4.19Å; Y85-I343 HydrophobicContact CE2-CG2 4.44Å
86C91.2Very high90.2Very high0 Ų021.7 Ų21.70%011%0.109CC..  trans-96.633.1-179.2-65.60000112.7S320 V322 I343 P345C86-S320 CarbonylContact C-O 3.59Å; C86-S320 WeakPolarHBondContact CA-O 3.45Å; C86-V322 PolarHBondContact SG-O 2.88Å; C86-V322 VanDerWaalsContact SG-O 3.36Å; C86-I343 WeakPolarHBondContact CB-O 3.47Å; C86-I343 PolarHBondContact N-O 3.48Å; C86-P345 WeakPolarHBondContact O-CA 3.45Å
87H85.1Confident90.2Very high61 Ų6123.2 Ų23.228%0.28212%0.117SC..  trans-124.625.9179.5-171.247.2000112.8Y85 T89 N92 S320Y85-H87 VanDerWaalsContact C-N 3.33Å; Y85-H87 HydrophobicContact CD1-CB 4.43Å; Y85-H87 HydrophobicContact CE1-CB 3.78Å; Y85-H87 WeakPolarHBondContact CE1-O 3.45Å; Y85-H87 HydrophobicContact CE2-CB 4.14Å; Y85-H87 PolarHBondContact O-N 3.33Å; Y85-H87 PolarHBondContact OH-CD2 3.03Å; Y85-H87 PolarHBondContact OH-O 2.88Å; H87-T89 PolarHBondContact O-N 3.11Å; H87-N92 PolarHBondContact O-ND2 2.66Å; H87-S320 PolarHBondContact N-O 2.83Å; H87-S320 VanDerWaalsContact N-O 3.11Å
88R87Confident90.2Very high11 Ų1123.3 Ų23.34%0.04212%0.117CC..  trans-63.6135178.7-173.1-168.5159.492.79.6110.6E199 D266 Q267 E269 S320 A321R88-E199 IonicContact CZ-OE1 3.76Å; R88-E199 IonicContact NH2-OE1 3.48Å; R88-E199 PolarHBondContact NH2-OE1 3.43Å; R88-D266 IonicContact CZ-OD1 2.76Å; R88-D266 IonicContact NH1-OD1 2.75Å; R88-D266 PolarHBondContact NH1-OD1 2.76Å; R88-D266 IonicContact NH1-OD2 3.68Å; R88-D266 PolarHBondContact NH1-OD2 3.17Å; R88-Q267 VanDerWaalsContact CZ-CG 3.43Å; R88-E269 IonicContact NE-OE1 3.24Å; R88-S320 VanDerWaalsContact CB-O 3.28Å; R88-S320 WeakPolarHBondContact CB-O 3.43Å; R88-S320 PolarHBondContact N-O 3.31Å; R88-A321 HydrophobicContact CB-CB 4.32Å; R88-A321 WeakPolarHBondContact O-CA 3.32Å; R88-A321 VanDerWaalsContact O-CB 3.23Å; R88-A321 WeakPolarHBondContact O-CB 3.09Å
89T84.4Confident90.3Very high38 Ų3823 Ų2323%0.23312%0.115CC..  trans-118.9164.316871.20000110.3H87 E91 N92H87-T89 PolarHBondContact O-N 3.11Å; T89-E91 PolarHBondContact O-N 2.89Å; T89-E91 PolarHBondContact OG1-N 2.92Å; T89-N92 PolarHBondContact N-ND2 2.87Å; T89-N92 WeakPolarHBondContact O-CB 3.47Å; T89-N92 PolarHBondContact O-N 2.81Å; T89-N92 VanDerWaalsContact O-N 3.16Å; T89-N92 PolarHBondContact OG1-N 2.8Å; T89-N92 PolarHBondContact OG1-OD1 3.2Å
90P75.2Confident90.5Very high40 Ų4022.9 Ų22.926%0.2611%0.114SC..THydrogen-bonded Turntrans-59.5-27.3174.6-27.137.1000115.6D196 E199P90-D196 HydrophobicContact CG-CB 3.98Å; P90-E199 WeakPolarHBondContact CA-OE2 3.33Å; P90-E199 HydrophobicContact CB-CB 3.89Å; P90-E199 HydrophobicContact CB-CG 4.02Å; P90-E199 VanDerWaalsContact CB-OE2 3.24Å; P90-E199 WeakPolarHBondContact CB-OE2 3.42Å; P90-E199 HydrophobicContact CG-CB 4.38Å; P90-E199 WeakPolarHBondContact CG-OE2 3.45Å
91E75.5Confident90.5Very high97 Ų9722.8 Ų22.845%0.45311%0.114SC..THydrogen-bonded Turntrans-86.7-1.5179.9-6387.517200113.9T89 E93 K195T89-E91 PolarHBondContact O-N 2.89Å; T89-E91 PolarHBondContact OG1-N 2.92Å; E91-E93 PolarHBondContact O-N 3.41Å; E91-K195 VanDerWaalsContact OE1-CD 3.23Å; E91-K195 WeakPolarHBondContact OE1-CD 3.47Å; E91-K195 IonicContact OE1-NZ 3.36Å; E91-K195 PolarHBondContact OE1-NZ 2.8Å
92N77Confident90.6Very high26 Ų2623.1 Ų23.114%0.13912%0.115CC..  trans-76.356.7-176.8-75.7-4.5000113.5H87 T89 S94 I95H87-N92 PolarHBondContact O-ND2 2.66Å; T89-N92 PolarHBondContact N-ND2 2.87Å; T89-N92 WeakPolarHBondContact O-CB 3.47Å; T89-N92 PolarHBondContact O-N 2.81Å; T89-N92 VanDerWaalsContact O-N 3.16Å; T89-N92 PolarHBondContact OG1-N 2.8Å; T89-N92 PolarHBondContact OG1-OD1 3.2Å; N92-S94 PolarHBondContact O-N 3.29Å; N92-I95 HydrophobicContact CB-CB 4.39Å; N92-I95 HydrophobicContact CB-CD1 3.82Å; N92-I95 HydrophobicContact CB-CG1 4.03Å; N92-I95 VanDerWaalsContact ND2-CD1 3.28Å; N92-I95 WeakPolarHBondContact ND2-CD1 3.47Å
93E86.6Confident90.7Very high127 Ų12723 Ų2359%0.59312%0.115SC*.Hα-helixtrans-65.1-29.2171.2-56.2-157.2127.700112.7E91 R96 L97E91-E93 PolarHBondContact O-N 3.41Å; E93-R96 PolarHBondContact O-N 3.12Å; E93-R96 IonicContact OE1-NH2 3.34Å; E93-R96 PolarHBondContact OE1-NH2 3.46Å; E93-R96 VanDerWaalsContact OE1-NH2 3.17Å; E93-L97 PolarHBondContact O-N 2.88Å
94S90.4Very high90.7Very high12 Ų1223 Ų238%0.08412%0.115CC..Hα-helixtrans-65.2-40.3179.356.80000112D70 N92 R96 L97 L98D70-S94 WeakPolarHBondContact OD2-CB 3.29Å; D70-S94 PolarHBondContact OD2-OG 3.41Å; N92-S94 PolarHBondContact O-N 3.29Å; S94-R96 VanDerWaalsContact C-N 3.29Å; S94-R96 PolarHBondContact O-N 3.3Å; S94-L97 CarbonylContact O-C 3.54Å; S94-L97 WeakPolarHBondContact O-CA 3.37Å; S94-L97 VanDerWaalsContact O-CB 3.22Å; S94-L97 WeakPolarHBondContact O-CB 3.27Å; S94-L97 PolarHBondContact O-N 3.32Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 3.41Å
95I92.7Very high90.7Very high2 Ų223.1 Ų23.11%0.0112%0.116CC..Hα-helixtrans-59.9-42.3175.7-60.4-175.4000111.1L73 Y85 N92 L97 L98 Y99 F319L73-I95 HydrophobicContact CD2-CD1 4.45Å; L73-I95 HydrophobicContact CD2-CG1 4.27Å; Y85-I95 HydrophobicContact CD1-CD1 3.73Å; Y85-I95 HydrophobicContact CE1-CD1 3.1Å; Y85-I95 HydrophobicContact CE2-CD1 4.3Å; Y85-I95 VanDerWaalsContact CZ-CD1 3.42Å; N92-I95 HydrophobicContact CB-CB 4.39Å; N92-I95 HydrophobicContact CB-CD1 3.82Å; N92-I95 HydrophobicContact CB-CG1 4.03Å; N92-I95 VanDerWaalsContact ND2-CD1 3.28Å; N92-I95 WeakPolarHBondContact ND2-CD1 3.47Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.27Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 2.8Å; I95-L98 VanDerWaalsContact O-N 3.14Å; I95-Y99 HydrophobicContact CG2-CD1 4.28Å; I95-Y99 WeakPolarHBondContact O-CD1 3.27Å; I95-Y99 PolarHBondContact O-N 3.29Å; I95-Y99 VanDerWaalsContact O-N 3.08Å; I95-F319 HydrophobicContact CG2-CD1 3.34Å; I95-F319 HydrophobicContact CG2-CE1 3.34Å; I95-F319 HydrophobicContact CG2-CG 4.06Å; I95-F319 HydrophobicContact CG2-CZ 4.05Å
96R95.3Very high90.8Very high16 Ų1622.6 Ų22.66%0.0611%0.114CC..Hα-helixtrans-61.4-41173.5179.4170.770.8-100.90.5112.3E93 S94 L98 Y99 C100 I153 T156E93-R96 PolarHBondContact O-N 3.12Å; E93-R96 IonicContact OE1-NH2 3.34Å; E93-R96 PolarHBondContact OE1-NH2 3.46Å; E93-R96 VanDerWaalsContact OE1-NH2 3.17Å; S94-R96 VanDerWaalsContact C-N 3.29Å; S94-R96 PolarHBondContact O-N 3.3Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.83Å; R96-Y99 HydrophobicContact CB-CE1 3.93Å; R96-Y99 HydrophobicContact CG-CE1 4.27Å; R96-Y99 HydrophobicContact CG-CE2 4.25Å; R96-Y99 VanDerWaalsContact CG-OH 3.3Å; R96-Y99 WeakPolarHBondContact CG-OH 3.24Å; R96-C100 WeakPolarHBondContact O-CB 3.29Å; R96-C100 PolarHBondContact O-N 3.27Å; R96-C100 PolarHBondContact O-SG 3.29Å; R96-I153 HydrophobicContact CG-CG1 4.49Å; R96-T156 HydrophobicContact CG-CG2 4.2Å; R96-T156 PolarHBondContact NE-OG1 3.02Å; R96-T156 VanDerWaalsContact NE-OG1 3.08Å
97L95.8Very high91Very high32 Ų3222.8 Ų22.817%0.16812%0.115CC..Hα-helixtrans-59-43.3172.4-170.370.4000111.7P64 E93 S94 I95 S101 T156 L160P64-L97 HydrophobicContact CB-CD1 4.41Å; P64-L97 HydrophobicContact CB-CD2 3.86Å; P64-L97 HydrophobicContact CB-CG 3.78Å; E93-L97 PolarHBondContact O-N 2.88Å; S94-L97 CarbonylContact O-C 3.54Å; S94-L97 WeakPolarHBondContact O-CA 3.37Å; S94-L97 VanDerWaalsContact O-CB 3.22Å; S94-L97 WeakPolarHBondContact O-CB 3.27Å; S94-L97 PolarHBondContact O-N 3.32Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.27Å; L97-S101 WeakPolarHBondContact O-CB 3.39Å; L97-S101 PolarHBondContact O-N 3.14Å; L97-S101 PolarHBondContact O-OG 2.87Å; L97-T156 HydrophobicContact CD1-CG2 4Å; L97-L160 HydrophobicContact CD1-CD1 4.22Å; L97-L160 HydrophobicContact CD1-CD2 3.55Å; L97-L160 HydrophobicContact CD1-CG 3.84Å; L97-L160 HydrophobicContact CG-CD2 4.38Å
98L95.5Very high91.5Very high2 Ų220.4 Ų20.41%0.0110%0.104CC..Hα-helixtrans-61.5-58179.4-59.5-177.9000111.9I66 D70 L73 Y74 I77 S94 I95 R96 C100 S101 H102I66-L98 HydrophobicContact CG1-CD2 4.14Å; I66-L98 HydrophobicContact CG2-CD2 4.43Å; D70-L98 HydrophobicContact CB-CD1 3.96Å; L73-L98 HydrophobicContact CB-CD1 4.33Å; L73-L98 HydrophobicContact CD2-CD1 3.94Å; L73-L98 HydrophobicContact CG-CD1 4.03Å; Y74-L98 HydrophobicContact CD2-CD2 4.03Å; Y74-L98 HydrophobicContact CG-CD2 4.43Å; I77-L98 HydrophobicContact CD1-CB 4.2Å; I77-L98 HydrophobicContact CD1-CD1 4.43Å; S94-L98 WeakPolarHBondContact O-CG 3.49Å; S94-L98 PolarHBondContact O-N 3.41Å; I95-L98 WeakPolarHBondContact O-CB 3.41Å; I95-L98 PolarHBondContact O-N 2.8Å; I95-L98 VanDerWaalsContact O-N 3.14Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 2.83Å; L98-C100 VanDerWaalsContact C-N 3.34Å; L98-C100 PolarHBondContact O-N 3.38Å; L98-S101 PolarHBondContact O-N 2.85Å; L98-S101 PolarHBondContact O-OG 2.81Å; L98-H102 WeakPolarHBondContact O-CB 3.47Å; L98-H102 PolarHBondContact O-N 3.07Å
99Y97.1Very high91.8Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-69.3-32.5-175.570.1-113.8000112.3I95 R96 H102 A103 I153 I264 D266 F319I95-Y99 HydrophobicContact CG2-CD1 4.28Å; I95-Y99 WeakPolarHBondContact O-CD1 3.27Å; I95-Y99 PolarHBondContact O-N 3.29Å; I95-Y99 VanDerWaalsContact O-N 3.08Å; R96-Y99 HydrophobicContact CB-CE1 3.93Å; R96-Y99 HydrophobicContact CG-CE1 4.27Å; R96-Y99 HydrophobicContact CG-CE2 4.25Å; R96-Y99 VanDerWaalsContact CG-OH 3.3Å; R96-Y99 WeakPolarHBondContact CG-OH 3.24Å; Y99-H102 PolarHBondContact O-N 3.1Å; Y99-A103 VanDerWaalsContact O-CB 3.31Å; Y99-A103 WeakPolarHBondContact O-CB 3.39Å; Y99-A103 PolarHBondContact O-N 3.21Å; Y99-I153 HydrophobicContact CE2-CG1 4.28Å; Y99-I153 WeakPolarHBondContact OH-CG1 3.37Å; Y99-I264 HydrophobicContact CD2-CD1 3.99Å; Y99-I264 HydrophobicContact CD2-CG2 3.94Å; Y99-I264 HydrophobicContact CE2-CG2 4.23Å; Y99-I264 HydrophobicContact CG-CD1 4.43Å; Y99-I264 HydrophobicContact CG-CG2 4.13Å; Y99-D266 PolarHBondContact OH-OD2 2.77Å; Y99-D266 VanDerWaalsContact OH-OD2 3.08Å; Y99-F319 AromaticContact CD1-CD2 3.83Å; Y99-F319 HydrophobicContact CD1-CD2 3.83Å; Y99-F319 AromaticContact CD1-CE2 3.4Å; Y99-F319 HydrophobicContact CD1-CE2 3.4Å; Y99-F319 VanDerWaalsContact CD1-CE2 3.4Å; Y99-F319 AromaticContact CD1-CZ 3.86Å; Y99-F319 HydrophobicContact CD1-CZ 3.86Å; Y99-F319 HydrophobicContact CE1-CD2 4.13Å; Y99-F319 HydrophobicContact CE1-CE2 4.16Å; Y99-F319 AromaticContact CG-CE2 3.92Å; Y99-F319 HydrophobicContact CG-CE2 3.92Å; Y99-F319 HydrophobicContact CG-CZ 4.41Å
100C97.8Very high92.2Very high0 Ų019.9 Ų19.90%010%0.099CC..Hα-helixtrans-66.4-43173.5-73.80000111.2R96 L98 H102 A103 L104 T156 F157 L160R96-C100 WeakPolarHBondContact O-CB 3.29Å; R96-C100 PolarHBondContact O-N 3.27Å; R96-C100 PolarHBondContact O-SG 3.29Å; L98-C100 VanDerWaalsContact C-N 3.34Å; L98-C100 PolarHBondContact O-N 3.38Å; C100-H102 VanDerWaalsContact C-N 3.29Å; C100-H102 PolarHBondContact O-N 3.26Å; C100-A103 PolarHBondContact O-N 3.15Å; C100-L104 VanDerWaalsContact O-CB 3.3Å; C100-L104 WeakPolarHBondContact O-CB 3.45Å; C100-L104 PolarHBondContact O-N 2.95Å; C100-T156 HydrophobicContact CB-CG2 3.7Å; C100-F157 HydrophobicContact CB-CD1 4.03Å; C100-F157 HydrophobicContact CB-CE1 3.83Å; C100-F157 HydrophobicContact CB-CZ 4.12Å; C100-F157 WeakPolarHBondContact O-CE1 3.07Å; C100-L160 HydrophobicContact CB-CD1 3.73Å
101S96.5Very high93Very high0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-61.6-40.717676.10000111.4P64 L97 L98 L104 N105P64-S101 WeakPolarHBondContact CG-OG 3.21Å; L97-S101 WeakPolarHBondContact O-CB 3.39Å; L97-S101 PolarHBondContact O-N 3.14Å; L97-S101 PolarHBondContact O-OG 2.87Å; L98-S101 PolarHBondContact O-N 2.85Å; L98-S101 PolarHBondContact O-OG 2.81Å; S101-L104 PolarHBondContact O-N 2.91Å; S101-N105 VanDerWaalsContact O-CB 3.29Å; S101-N105 WeakPolarHBondContact O-CB 3.47Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 3.47Å
102H97.4Very high93.9Very high7 Ų718.2 Ų18.23%0.0329%0.091CC..Hα-helixtrans-65.3-48.6177.5-17862.8000112I77 Y80 L98 Y99 C100 L104 N105 H106 Q315I77-H102 HydrophobicContact CG2-CB 3.59Å; I77-H102 VanDerWaalsContact CG2-CG 3.41Å; I77-H102 PolarHBondContact O-CE1 3.43Å; I77-H102 PolarHBondContact O-NE2 2.63Å; Y80-H102 AromaticContact CE2-CE1 3.84Å; Y80-H102 AromaticContact CZ-CE1 3.75Å; L98-H102 WeakPolarHBondContact O-CB 3.47Å; L98-H102 PolarHBondContact O-N 3.07Å; Y99-H102 PolarHBondContact O-N 3.1Å; C100-H102 VanDerWaalsContact C-N 3.29Å; C100-H102 PolarHBondContact O-N 3.26Å; H102-L104 VanDerWaalsContact C-N 3.31Å; H102-L104 PolarHBondContact O-N 2.98Å; H102-N105 PolarHBondContact O-N 3.4Å; H102-H106 VanDerWaalsContact O-CB 3.29Å; H102-H106 WeakPolarHBondContact O-CB 3.41Å; H102-H106 PolarHBondContact O-N 2.88Å; H102-Q315 PolarHBondContact NE2-OE1 3.01Å
103A97.9Very high94.6Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-58.7-41176.300000112.8Y99 C100 S107 T140 F157 L231 L262 I264Y99-A103 VanDerWaalsContact O-CB 3.31Å; Y99-A103 WeakPolarHBondContact O-CB 3.39Å; Y99-A103 PolarHBondContact O-N 3.21Å; C100-A103 PolarHBondContact O-N 3.15Å; A103-S107 PolarHBondContact O-N 2.82Å; A103-S107 PolarHBondContact O-OG 2.88Å; A103-T140 HydrophobicContact CB-CG2 4.02Å; A103-F157 HydrophobicContact CB-CE1 4.1Å; A103-F157 HydrophobicContact CB-CZ 4.03Å; A103-L231 HydrophobicContact CB-CD1 4.07Å; A103-L262 HydrophobicContact CB-CD2 3.99Å; A103-I264 HydrophobicContact CB-CD1 4.04Å
104L96.8Very high94.9Very high0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-69.1-44.7177.8-173.255.2000111.6I62 C100 S101 H102 H106 S107 L108 F157 L160 M161 F215I62-L104 HydrophobicContact CD1-CD2 3.15Å; I62-L104 HydrophobicContact CD1-CG 3.55Å; C100-L104 VanDerWaalsContact O-CB 3.3Å; C100-L104 WeakPolarHBondContact O-CB 3.45Å; C100-L104 PolarHBondContact O-N 2.95Å; S101-L104 PolarHBondContact O-N 2.91Å; H102-L104 VanDerWaalsContact C-N 3.31Å; H102-L104 PolarHBondContact O-N 2.98Å; L104-H106 VanDerWaalsContact C-N 3.34Å; L104-H106 PolarHBondContact O-N 3.17Å; L104-S107 PolarHBondContact O-N 2.95Å; L104-L108 HydrophobicContact CD1-CD1 4.39Å; L104-L108 HydrophobicContact CD1-CG 4.44Å; L104-L108 HydrophobicContact CG-CD1 4.22Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 3.08Å; L104-F157 HydrophobicContact CB-CD1 4.16Å; L104-F157 HydrophobicContact CB-CE1 4.09Å; L104-F157 HydrophobicContact CD2-CD1 4.4Å; L104-L160 HydrophobicContact CD2-CB 4.09Å; L104-M161 HydrophobicContact CD1-SD 4.29Å; L104-M161 HydrophobicContact CD2-CG 4.5Å; L104-M161 HydrophobicContact CD2-SD 3.89Å; L104-F215 HydrophobicContact CD1-CB 3.91Å; L104-F215 HydrophobicContact CD1-CD1 3.35Å; L104-F215 HydrophobicContact CD1-CD2 3.87Å; L104-F215 HydrophobicContact CD1-CE1 3.72Å; L104-F215 HydrophobicContact CD1-CE2 4.19Å; L104-F215 HydrophobicContact CD1-CG 3.43Å; L104-F215 VanDerWaalsContact CD1-CG 3.43Å; L104-F215 HydrophobicContact CD1-CZ 4.12Å
105N95.8Very high95Very high3 Ų316.4 Ų16.42%0.0169%0.091CC..Hα-helixtrans-61.8-41.5174.9-77.7-40.8000112.2P61 I62 S101 H102 L108 R109P61-N105 VanDerWaalsContact CD-OD1 3.24Å; P61-N105 WeakPolarHBondContact CD-OD1 3.26Å; I62-N105 PolarHBondContact N-OD1 3.44Å; I62-N105 PolarHBondContact O-ND2 3.08Å; I62-N105 PolarHBondContact O-OD1 3.42Å; S101-N105 VanDerWaalsContact O-CB 3.29Å; S101-N105 WeakPolarHBondContact O-CB 3.47Å; S101-N105 VanDerWaalsContact O-CG 3.22Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 3.47Å; H102-N105 PolarHBondContact O-N 3.4Å; N105-L108 PolarHBondContact O-N 3.34Å; N105-R109 VanDerWaalsContact O-CB 3.28Å; N105-R109 WeakPolarHBondContact O-CB 3.45Å; N105-R109 VanDerWaalsContact O-CG 3.24Å; N105-R109 WeakPolarHBondContact O-CG 3.37Å; N105-R109 PolarHBondContact O-N 3.37Å
106H96.3Very high95Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-58-50.4174.6179.580.1000110.4F14 F18 Y80 H102 L104 L108 R109 C110 E261 L262F14-H106 AromaticContact CE2-ND1 3.9Å; F18-H106 AromaticContact CE2-CE1 3.8Å; F18-H106 AromaticContact CZ-CE1 3.77Å; Y80-H106 AromaticContact CE1-ND1 3.61Å; Y80-H106 AromaticContact CZ-ND1 3.71Å; Y80-H106 PolarHBondContact OH-ND1 2.91Å; H102-H106 VanDerWaalsContact O-CB 3.29Å; H102-H106 WeakPolarHBondContact O-CB 3.41Å; H102-H106 PolarHBondContact O-N 2.88Å; L104-H106 VanDerWaalsContact C-N 3.34Å; L104-H106 PolarHBondContact O-N 3.17Å; H106-L108 PolarHBondContact O-N 3.35Å; H106-R109 PolarHBondContact O-N 2.88Å; H106-C110 WeakPolarHBondContact O-CB 3.49Å; H106-C110 PolarHBondContact O-N 3.47Å; H106-C110 PolarHBondContact O-SG 3.33Å; H106-E261 IonicContact CE1-OE2 3.72Å; H106-E261 PolarHBondContact CE1-OE2 3.34Å; H106-E261 IonicContact NE2-OE2 3.43Å; H106-E261 PolarHBondContact NE2-OE2 3.45Å; H106-L262 HydrophobicContact CB-CD2 4.5Å
107S95.5Very high94.9Very high4 Ų422 Ų223%0.02812%0.116CC..Hα-helixtrans-58.3-48.5177.1-59.60000112.9A103 L104 R109 C110 Q111A103-S107 PolarHBondContact O-N 2.82Å; A103-S107 PolarHBondContact O-OG 2.88Å; L104-S107 PolarHBondContact O-N 2.95Å; S107-R109 PolarHBondContact O-N 3.19Å; S107-C110 PolarHBondContact O-N 2.87Å; S107-Q111 WeakPolarHBondContact O-CG 3.44Å; S107-Q111 PolarHBondContact O-N 2.93Å; S107-Q111 VanDerWaalsContact O-N 3.1Å
108L95Very high94.7Very high12 Ų1223.4 Ų23.46%0.06312%0.124CC..Hα-helixtrans-68-34.8-178.8-67.9173.8000113.1P61 I62 L104 N105 H106 T112P61-L108 HydrophobicContact CB-CD1 4.07Å; P61-L108 HydrophobicContact CG-CB 4.41Å; I62-L108 HydrophobicContact CD1-CD1 3.84Å; I62-L108 HydrophobicContact CG1-CD1 4.36Å; L104-L108 HydrophobicContact CD1-CD1 4.39Å; L104-L108 HydrophobicContact CD1-CG 4.44Å; L104-L108 HydrophobicContact CG-CD1 4.22Å; L104-L108 WeakPolarHBondContact O-CG 3.42Å; L104-L108 PolarHBondContact O-N 3.08Å; N105-L108 PolarHBondContact O-N 3.34Å; H106-L108 PolarHBondContact O-N 3.35Å; L108-T112 WeakPolarHBondContact O-CB 3.49Å; L108-T112 PolarHBondContact O-N 3.47Å; L108-T112 PolarHBondContact O-OG1 2.77Å
109R93.3Very high94.7Very high33 Ų3329 Ų2913%0.12515%0.15CC..Hα-helixtrans-67.5-44.3175.2-78.6178.1168.9-175.4-2.6111.2F14 T58 K59 N60 P61 N105 H106 S107 Q111 T112 L113F14-R109 HydrophobicContact CD1-CB 4.04Å; F14-R109 HydrophobicContact CD2-CB 4.48Å; F14-R109 HydrophobicContact CE1-CB 4.02Å; F14-R109 HydrophobicContact CE2-CB 4.46Å; F14-R109 HydrophobicContact CG-CB 4.27Å; F14-R109 HydrophobicContact CZ-CB 4.23Å; T58-R109 PolarHBondContact OG1-NH2 3.33Å; K59-R109 PolarHBondContact O-NH2 2.81Å; N60-R109 PolarHBondContact OD1-NH2 2.96Å; P61-R109 HydrophobicContact CG-CG 4.4Å; N105-R109 VanDerWaalsContact O-CB 3.28Å; N105-R109 WeakPolarHBondContact O-CB 3.45Å; N105-R109 VanDerWaalsContact O-CG 3.24Å; N105-R109 WeakPolarHBondContact O-CG 3.37Å; N105-R109 PolarHBondContact O-N 3.37Å; H106-R109 PolarHBondContact O-N 2.88Å; S107-R109 PolarHBondContact O-N 3.19Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-Q111 PolarHBondContact O-N 3Å; R109-T112 PolarHBondContact O-N 3.08Å; R109-L113 WeakPolarHBondContact O-CB 3.47Å; R109-L113 PolarHBondContact O-N 2.86Å
110C93.3Very high94.5Very high5 Ų534.2 Ų34.23%0.03417%0.172CC..Hα-helixtrans-56.7-47.5174.4-69.80000111.6F14 H106 S107 T112 L113 V114 R139F14-C110 VanDerWaalsContact CE2-SG 3.52Å; F14-C110 VanDerWaalsContact CZ-SG 3.51Å; H106-C110 WeakPolarHBondContact O-CB 3.49Å; H106-C110 PolarHBondContact O-N 3.47Å; H106-C110 PolarHBondContact O-SG 3.33Å; S107-C110 PolarHBondContact O-N 2.87Å; C110-T112 PolarHBondContact O-N 3.07Å; C110-L113 PolarHBondContact O-N 2.84Å; C110-V114 WeakPolarHBondContact O-CG2 3.48Å; C110-V114 PolarHBondContact O-N 3.29Å; C110-R139 VanDerWaalsContact SG-CD 3.52Å; C110-R139 PolarHBondContact SG-NH1 3.29Å
111Q92.5Very high94.2Very high45 Ų4536.8 Ų36.821%0.2118%0.184CC..Hα-helixtrans-61.4-46.4176.8-70.6178.26.200112.5S107 R109 L113 V114 S115 F215 D230S107-Q111 WeakPolarHBondContact O-CG 3.44Å; S107-Q111 PolarHBondContact O-N 2.93Å; S107-Q111 VanDerWaalsContact O-N 3.1Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-Q111 PolarHBondContact O-N 3Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 2.63Å; Q111-V114 PolarHBondContact O-N 2.88Å; Q111-S115 PolarHBondContact O-N 2.74Å; Q111-S115 PolarHBondContact O-OG 3.09Å; Q111-S115 VanDerWaalsContact O-OG 3.12Å; Q111-F215 PolarHBondContact NE2-O 3.44Å; Q111-F215 PolarHBondContact OE1-O 3.17Å; Q111-D230 VanDerWaalsContact NE2-CG 3.27Å; Q111-D230 PolarHBondContact NE2-OD1 2.83Å; Q111-D230 VanDerWaalsContact NE2-OD1 3.15Å; Q111-D230 PolarHBondContact NE2-OD2 3.07Å
112T93Very high94Very high56 Ų5645.6 Ų45.634%0.34422%0.223SC..Hα-helixtrans-62.9-39-179.9-58.10000111.8L108 R109 C110 K116L108-T112 WeakPolarHBondContact O-CB 3.49Å; L108-T112 PolarHBondContact O-N 3.47Å; L108-T112 PolarHBondContact O-OG1 2.77Å; R109-T112 PolarHBondContact O-N 3.08Å; C110-T112 PolarHBondContact O-N 3.07Å; T112-K116 HydrophobicContact CG2-CD 4.45Å; T112-K116 WeakPolarHBondContact O-CG 3.36Å; T112-K116 PolarHBondContact O-N 2.82Å
113L92.4Very high93.7Very high33 Ų3352 Ų5217%0.17325%0.253CS..Hα-helixtrans-64.6-49.1176.3-178.162.1000111F14 L15 R109 C110 Q111 S115 K116 N117 D132F14-L113 HydrophobicContact CE1-CD2 4.03Å; F14-L113 HydrophobicContact CZ-CD2 4.41Å; L15-L113 HydrophobicContact CD2-CD1 4.27Å; L15-L113 HydrophobicContact CD2-CD2 4.32Å; R109-L113 WeakPolarHBondContact O-CB 3.47Å; R109-L113 PolarHBondContact O-N 2.86Å; C110-L113 PolarHBondContact O-N 2.84Å; Q111-L113 VanDerWaalsContact C-N 3.31Å; Q111-L113 PolarHBondContact O-N 2.63Å; L113-S115 PolarHBondContact O-N 2.76Å; L113-K116 PolarHBondContact O-N 2.94Å; L113-N117 WeakPolarHBondContact O-CB 3.5Å; L113-N117 PolarHBondContact O-N 3.47Å; L113-D132 HydrophobicContact CD2-CB 3.73Å; L113-D132 HydrophobicContact CG-CB 3.97Å
114V92.2Very high93.4Very high27 Ų2760.1 Ų60.116%0.16429%0.288CS..Hα-helixtrans-60.3-44.3178.9171.50000111.6C110 Q111 K116 N117 N118 D132 Q133C110-V114 WeakPolarHBondContact O-CG2 3.48Å; C110-V114 PolarHBondContact O-N 3.29Å; Q111-V114 PolarHBondContact O-N 2.88Å; V114-K116 PolarHBondContact O-N 2.88Å; V114-N117 PolarHBondContact O-N 3.13Å; V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 2.92Å; V114-N118 PolarHBondContact O-ND2 2.89Å; V114-N118 PolarHBondContact O-OD1 3.19Å; V114-D132 VanDerWaalsContact CA-OD2 3.24Å; V114-D132 WeakPolarHBondContact CA-OD2 3.38Å; V114-D132 PolarHBondContact N-OD2 3.44Å; V114-Q133 HydrophobicContact CG2-CG 4.07Å
115S92.5Very high93Very high67 Ų6761.7 Ų61.747%0.46931%0.305SS..Hα-helixtrans-59.3-46.9176.5-62.90000112.3Q111 L113 N117 N118 E119Q111-S115 PolarHBondContact O-N 2.74Å; Q111-S115 PolarHBondContact O-OG 3.09Å; Q111-S115 VanDerWaalsContact O-OG 3.12Å; L113-S115 PolarHBondContact O-N 2.76Å; S115-N117 PolarHBondContact O-N 3.42Å; S115-N118 PolarHBondContact O-N 3.16Å; S115-E119 PolarHBondContact O-N 3.06Å
116K92.9Very high92.6Very high123 Ų12364.7 Ų64.754%0.53533%0.33SS..Hα-helixtrans-63.2-42178-73.7178.5178.2-173.90112.2T112 L113 V114 E119 K120T112-K116 HydrophobicContact CG2-CD 4.45Å; T112-K116 WeakPolarHBondContact O-CG 3.36Å; T112-K116 PolarHBondContact O-N 2.82Å; L113-K116 PolarHBondContact O-N 2.94Å; V114-K116 PolarHBondContact O-N 2.88Å; K116-E119 PolarHBondContact O-N 3.19Å; K116-K120 WeakPolarHBondContact O-CG 3.18Å; K116-K120 PolarHBondContact O-N 3.46Å; K116-K120 VanDerWaalsContact O-N 3.07Å
117N92.9Very high92.2Very high13 Ų1367.1 Ų67.17%0.0735%0.347CS..Hα-helixtrans-72.4-30.2-179.5-74.6-14000112.3L113 V114 S115 E119 K120 E121 L130 D132L113-N117 WeakPolarHBondContact O-CB 3.5Å; L113-N117 PolarHBondContact O-N 3.47Å; V114-N117 PolarHBondContact O-N 3.13Å; S115-N117 PolarHBondContact O-N 3.42Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-K120 PolarHBondContact O-N 3.48Å; N117-E121 WeakPolarHBondContact O-CB 3.3Å; N117-E121 PolarHBondContact O-N 3.16Å; N117-L130 HydrophobicContact CB-CD2 4.09Å; N117-D132 WeakPolarHBondContact CB-OD2 3.38Å; N117-D132 VanDerWaalsContact ND2-CG 3.34Å; N117-D132 PolarHBondContact ND2-OD2 3Å
118N92.7Very high91.8Very high61 Ų6172.1 Ų72.133%0.32637%0.373SS..Hα-helixtrans-64.5-36.8171-68.5-7.8000112.1V114 S115 K122 R300V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 2.92Å; V114-N118 PolarHBondContact O-ND2 2.89Å; V114-N118 PolarHBondContact O-OD1 3.19Å; S115-N118 PolarHBondContact O-N 3.16Å; N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 2.95Å; N118-R300 PolarHBondContact OD1-NH1 3.39Å; N118-R300 PolarHBondContact OD1-NH2 2.82Å
119E94Very high91.4Very high121 Ų12176.3 Ų76.357%0.56540%0.404SS*.Hα-helixtrans-67.3-43.5173.7-70170.5-179.100111.3S115 K116 N117 K122 Q123S115-E119 PolarHBondContact O-N 3.06Å; K116-E119 PolarHBondContact O-N 3.19Å; N117-E119 VanDerWaalsContact C-N 3.33Å; E119-K122 PolarHBondContact O-N 3.03Å; E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.42Å
120K93.1Very high91.3Very high108 Ų10875.1 Ų75.147%0.4740%0.4SS..Hα-helixtrans-63.7-40.8175.9-71.7-179.1176.8-173.80112.9K116 N117 K122 Q123 F124 L130K116-K120 WeakPolarHBondContact O-CG 3.18Å; K116-K120 PolarHBondContact O-N 3.46Å; K116-K120 VanDerWaalsContact O-N 3.07Å; N117-K120 PolarHBondContact O-N 3.48Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.82Å; K120-Q123 PolarHBondContact O-N 3.01Å; K120-Q123 VanDerWaalsContact O-N 3.1Å; K120-F124 PolarHBondContact O-N 3.47Å; K120-L130 HydrophobicContact CB-CD1 4.43Å; K120-L130 HydrophobicContact CB-CD2 3.96Å; K120-L130 HydrophobicContact CD-CD2 4.03Å
121E91.8Very high91.2Very high54 Ų5477 Ų7725%0.25241%0.406SS..Hα-helixtrans-61.9-37.9177.8-176.8172.9-157.800111.5N117 Q123 G125 L130 R300N117-E121 WeakPolarHBondContact O-CB 3.3Å; N117-E121 PolarHBondContact O-N 3.16Å; E121-Q123 VanDerWaalsContact C-N 3.28Å; E121-Q123 PolarHBondContact O-N 2.86Å; E121-G125 CarbonylContact O-C 3.54Å; E121-G125 WeakPolarHBondContact O-CA 3.45Å; E121-G125 PolarHBondContact O-N 3.49Å; E121-L130 HydrophobicContact CB-CD1 3.97Å; E121-R300 IonicContact OE2-CZ 2.62Å; E121-R300 IonicContact OE2-NH1 3.85Å; E121-R300 PolarHBondContact OE2-NH1 2.81Å
122K91.7Very high91.1Very high186 Ų18675 Ų7581%0.80940%0.397SS*.Hα-helixtrans-65.6-30.8174.4-71.4174.5-178.5-176.80113.1N118 E119 K120N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 2.95Å; E119-K122 PolarHBondContact O-N 3.03Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.82Å
123Q92.2Very high91.1Very high141 Ų14174.4 Ų74.466%0.65939%0.39SS*.Hα-helixtrans-87-42.8-177-70.2177.2-0.400112.9E119 K120 E121E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.42Å; K120-Q123 PolarHBondContact O-N 3.01Å; K120-Q123 VanDerWaalsContact O-N 3.1Å; E121-Q123 VanDerWaalsContact C-N 3.28Å; E121-Q123 PolarHBondContact O-N 2.86Å
124F91.6Very high91Very high170 Ų17073.1 Ų73.175%0.74639%0.385SS*.Hα-helixtrans-117.6-2.6-170.1-58.9-75.4000113.9K120K120-F124 PolarHBondContact O-N 3.47Å
125G89.3Confident90.9Very high33 Ų3372.5 Ų72.534%0.3438%0.38SS..  trans82177.2-173.200000113.5E121E121-G125 CarbonylContact O-C 3.54Å; E121-G125 WeakPolarHBondContact O-CA 3.45Å; E121-G125 PolarHBondContact O-N 3.49Å
126A86.3Confident90.8Very high66 Ų6670 Ų7055%0.54536%0.361SS..  trans-71.2134.3176.600000110.5
127S88.6Confident90.7Very high52 Ų5269.2 Ų69.236%0.36435%0.354SS..  trans-142.7157.5172.868.80000110.3S129 L130S127-S129 PolarHBondContact O-N 3.27Å; S127-S129 VanDerWaalsContact O-N 3.16Å; S127-S129 PolarHBondContact OG-OG 2.91Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 2.78Å
128D86.5Confident90.8Very high108 Ų10868.6 Ų68.658%0.57835%0.351SS*.G310 helixtrans-61.6-25.7-179.9-75.2-30.2000112.9L130 R131D128-L130 PolarHBondContact O-N 3.21Å; D128-R131 WeakPolarHBondContact O-CB 3.43Å; D128-R131 WeakPolarHBondContact O-CG 3.47Å; D128-R131 PolarHBondContact O-N 3.21Å; D128-R131 IonicContact OD1-CZ 3.74Å; D128-R131 VanDerWaalsContact OD1-CZ 3.26Å; D128-R131 IonicContact OD1-NE 3.69Å; D128-R131 PolarHBondContact OD1-NE 3.26Å; D128-R131 IonicContact OD1-NH2 3.93Å; D128-R131 PolarHBondContact OD1-NH2 3Å
129S86.7Confident90.9Very high101 Ų10166.6 Ų66.671%0.70634%0.339SS*.G310 helixtrans-66.3-17.6175.374.20000114S127S127-S129 PolarHBondContact O-N 3.27Å; S127-S129 VanDerWaalsContact O-N 3.16Å; S127-S129 PolarHBondContact OG-OG 2.91Å
130L90.8Very high91.1Very high8 Ų860.9 Ų60.94%0.04231%0.312CS..G310 helixtrans-92.35.5179.7-58.6178000112.9N117 K120 E121 S127 D128 D132 R300N117-L130 HydrophobicContact CB-CD2 4.09Å; K120-L130 HydrophobicContact CB-CD1 4.43Å; K120-L130 HydrophobicContact CB-CD2 3.96Å; K120-L130 HydrophobicContact CD-CD2 4.03Å; E121-L130 HydrophobicContact CB-CD1 3.97Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 2.78Å; D128-L130 PolarHBondContact O-N 3.21Å; L130-D132 PolarHBondContact O-N 2.72Å; L130-D132 VanDerWaalsContact O-N 3.13Å; L130-D132 VanDerWaalsContact O-OD1 3.06Å; L130-R300 PolarHBondContact O-NE 3.27Å
131R91.3Very high91.3Very high45 Ų4555.7 Ų55.717%0.1729%0.29CS..  trans-71.4103.5178.4-71.1175.8-177.5-78.4-2.8111.9D128 A298 A299 R300 I301 R302D128-R131 WeakPolarHBondContact O-CB 3.43Å; D128-R131 WeakPolarHBondContact O-CG 3.47Å; D128-R131 PolarHBondContact O-N 3.21Å; D128-R131 IonicContact OD1-CZ 3.74Å; D128-R131 VanDerWaalsContact OD1-CZ 3.26Å; D128-R131 IonicContact OD1-NE 3.69Å; D128-R131 PolarHBondContact OD1-NE 3.26Å; D128-R131 IonicContact OD1-NH2 3.93Å; D128-R131 PolarHBondContact OD1-NH2 3Å; R131-A298 PolarHBondContact NH1-O 2.77Å; R131-A298 VanDerWaalsContact NH1-O 3.15Å; R131-A299 WeakPolarHBondContact CG-O 3.29Å; R131-A299 VanDerWaalsContact CZ-O 3.31Å; R131-A299 PolarHBondContact NH1-O 3.34Å; R131-R300 CarbonylContact C-O 2.99Å; R131-R300 WeakPolarHBondContact CA-O 3.07Å; R131-I301 WeakPolarHBondContact CD-O 3.45Å; R131-I301 WeakPolarHBondContact CG-O 3.48Å; R131-I301 PolarHBondContact NH1-O 3.29Å; R131-R302 PolarHBondContact O-NH1 2.71Å; R131-R302 VanDerWaalsContact O-NH1 3.16Å
132D91.3Very high91.6Very high2 Ų253.1 Ų53.11%0.01128%0.278CS..  trans-1381.7-172.161.8-14.4000114.6L113 V114 N117 L130 R139 R300L113-D132 HydrophobicContact CD2-CB 3.73Å; L113-D132 HydrophobicContact CG-CB 3.97Å; V114-D132 VanDerWaalsContact CA-OD2 3.24Å; V114-D132 WeakPolarHBondContact CA-OD2 3.38Å; V114-D132 PolarHBondContact N-OD2 3.44Å; N117-D132 WeakPolarHBondContact CB-OD2 3.38Å; N117-D132 VanDerWaalsContact ND2-CG 3.34Å; N117-D132 PolarHBondContact ND2-OD2 3Å; L130-D132 PolarHBondContact O-N 2.72Å; L130-D132 VanDerWaalsContact O-N 3.13Å; L130-D132 VanDerWaalsContact O-OD1 3.06Å; D132-R139 PolarHBondContact O-NH1 2.88Å; D132-R139 VanDerWaalsContact O-NH1 3.14Å; D132-R139 PolarHBondContact O-NH2 3.37Å; D132-R300 VanDerWaalsContact CG-NH2 3.27Å; D132-R300 PolarHBondContact N-O 3.16Å; D132-R300 IonicContact OD1-CZ 3.04Å; D132-R300 IonicContact OD1-NE 2.68Å; D132-R300 PolarHBondContact OD1-NE 2.79Å; D132-R300 IonicContact OD1-NH2 3.78Å; D132-R300 PolarHBondContact OD1-NH2 3.44Å; D132-R300 IonicContact OD2-NH2 3.1Å; D132-R300 PolarHBondContact OD2-NH2 2.77Å
133Q91.8Very high92Very high44 Ų4444.3 Ų44.321%0.20624%0.239CC..BIsolated β-bridgetrans-104.9152.3-176.7-63.7175.118.900112.4V114 R300 I301 R302V114-Q133 HydrophobicContact CG2-CG 4.07Å; Q133-R300 HydrophobicContact CB-CB 4.43Å; Q133-R300 HydrophobicContact CG-CB 4.25Å; Q133-R300 PolarHBondContact N-O 3.18Å; Q133-I301 WeakPolarHBondContact O-CA 3.5Å; Q133-R302 PolarHBondContact O-N 3.26Å
134G90.7Very high92.2Very high5 Ų537.6 Ų37.65%0.05221%0.208CC..  trans-84.4-177.7161.200000111.2H136G134-H136 PolarHBondContact O-N 3.28Å
135F90.8Very high92.5Very high15 Ų1529.5 Ų29.57%0.06617%0.172CC..SBendtrans-62.4-34.4169.1-59.9-75.3000111.7A258 S259 P290 F295 I301 L306F135-A258 HydrophobicContact CB-CB 4.46Å; F135-A258 HydrophobicContact CD2-CB 4.34Å; F135-S259 WeakPolarHBondContact CA-OG 3.38Å; F135-S259 WeakPolarHBondContact CB-OG 3.42Å; F135-S259 PolarHBondContact N-OG 2.85Å; F135-P290 HydrophobicContact CB-CG 4.04Å; F135-P290 HydrophobicContact CD1-CG 3.55Å; F135-P290 HydrophobicContact CD2-CG 4.31Å; F135-P290 HydrophobicContact CE1-CG 4.02Å; F135-P290 HydrophobicContact CG-CG 3.72Å; F135-F295 HydrophobicContact CD1-CD1 4.19Å; F135-F295 HydrophobicContact CD1-CE1 4.35Å; F135-I301 HydrophobicContact CD1-CD1 3.86Å; F135-I301 HydrophobicContact CD1-CG2 4.45Å; F135-I301 HydrophobicContact CE1-CD1 4.26Å; F135-I301 HydrophobicContact CE1-CG2 4.33Å; F135-L306 HydrophobicContact CE1-CD2 3.88Å; F135-L306 HydrophobicContact CZ-CD2 4.29Å
136H90.1Very high92.8Very high15 Ų1528.1 Ų28.17%0.06916%0.157CC..SBendtrans-133.2166.8179.6-57.8-54.5000111.5G134 Q254 Y255 S259G134-H136 PolarHBondContact O-N 3.28Å; H136-Q254 VanDerWaalsContact CD2-C 3.46Å; H136-Q254 PolarHBondContact CD2-O 2.79Å; H136-Y255 HydrophobicContact CB-CD1 4.1Å; H136-Y255 AromaticContact CD2-CD1 3.98Å; H136-Y255 AromaticContact CE1-CD1 3.58Å; H136-Y255 AromaticContact CE1-CE1 3.56Å; H136-Y255 AromaticContact CG-CD1 3.52Å; H136-Y255 AromaticContact ND1-CD1 3.27Å; H136-Y255 VanDerWaalsContact ND1-CD1 3.27Å; H136-Y255 WeakPolarHBondContact ND1-CD1 3.3Å; H136-Y255 AromaticContact ND1-CE1 3.4Å; H136-Y255 WeakPolarHBondContact ND1-CE1 3.29Å; H136-S259 PolarHBondContact N-OG 3.26Å
137R91.1Very high93.3Very high106 Ų10626.7 Ų26.740%0.414%0.139SC..SBendtrans-69.9-36.9-175.3-175.3175.3170.1176.3-5.6112.8R139 R227 D228 S229 D230R137-R139 PolarHBondContact O-N 3.49Å; R137-R227 WeakPolarHBondContact CB-O 3.41Å; R137-D228 WeakPolarHBondContact CD-O 3.37Å; R137-D228 VanDerWaalsContact CZ-O 3.23Å; R137-D228 PolarHBondContact NE-O 3.48Å; R137-D228 PolarHBondContact NH1-O 2.75Å; R137-S229 CarbonylContact C-O 3.57Å; R137-S229 WeakPolarHBondContact CG-O 3.39Å; R137-D230 IonicContact CZ-OD1 2.79Å; R137-D230 IonicContact CZ-OD2 3.99Å; R137-D230 IonicContact NE-OD1 3.92Å; R137-D230 PolarHBondContact NE-OD1 3.12Å; R137-D230 IonicContact NE-OD2 3.03Å; R137-D230 IonicContact NH2-OD1 3.36Å; R137-D230 PolarHBondContact NH2-OD1 2.6Å; R137-D230 IonicContact NH2-OD2 3.94Å; R137-D230 PolarHBondContact NH2-OD2 2.79Å; R137-D230 VanDerWaalsContact NH2-OD2 3.1Å
138A93.9Very high93.6Very high0 Ų024.7 Ų24.70%012%0.124CC..  trans-68.6121-179.200000110.1S229 I232A138-S229 WeakPolarHBondContact CA-O 3.34Å; A138-S229 WeakPolarHBondContact CB-O 3.45Å; A138-S229 PolarHBondContact N-O 3.31Å; A138-I232 HydrophobicContact CB-CD1 3.54Å; A138-I232 HydrophobicContact CB-CG1 4.02Å
139R95.2Very high94Very high19 Ų1919.7 Ų19.77%0.07210%0.098CC..  trans-116.6-17.4-179.6-64.8172.1-169.3-137.95.6112.6C110 D132 R137 D230 S259 I260 E261 L262C110-R139 VanDerWaalsContact SG-CD 3.52Å; C110-R139 PolarHBondContact SG-NH1 3.29Å; D132-R139 PolarHBondContact O-NH1 2.88Å; D132-R139 VanDerWaalsContact O-NH1 3.14Å; D132-R139 PolarHBondContact O-NH2 3.37Å; R137-R139 PolarHBondContact O-N 3.49Å; R139-D230 PolarHBondContact N-O 3.17Å; R139-S259 WeakPolarHBondContact CA-O 3.45Å; R139-I260 CarbonylContact O-C 3.34Å; R139-E261 HydrophobicContact CB-CB 4.33Å; R139-E261 HydrophobicContact CB-CG 4.34Å; R139-E261 WeakPolarHBondContact CD-OE2 3.44Å; R139-E261 HydrophobicContact CG-CG 4.44Å; R139-E261 IonicContact NH1-OE1 3.11Å; R139-E261 PolarHBondContact NH1-OE1 2.77Å; R139-E261 IonicContact NH1-OE2 2.83Å; R139-E261 PolarHBondContact O-N 3.33Å; R139-L262 PolarHBondContact O-N 3.44Å
140T98Very high94.6Very high0 Ų014.9 Ų14.90%06%0.064CC..EExtended strand (participates in β ladder)trans-117.2129.5-179.8-54.80000110.7A103 I142 D230 L231 I232 L262 I264A103-T140 HydrophobicContact CB-CG2 4.02Å; T140-I142 HydrophobicContact CG2-CG1 4.17Å; T140-D230 PolarHBondContact N-O 3.18Å; T140-L231 HydrophobicContact CG2-CD1 3.65Å; T140-L231 HydrophobicContact CG2-CG 3.98Å; T140-L231 CarbonylContact O-C 3.57Å; T140-L231 WeakPolarHBondContact O-CA 3.41Å; T140-I232 PolarHBondContact O-N 3.47Å; T140-L262 CarbonylContact C-O 3.58Å; T140-L262 VanDerWaalsContact CA-O 3.29Å; T140-L262 WeakPolarHBondContact CA-O 3.21Å; T140-L262 HydrophobicContact CG2-CB 4.18Å; T140-L262 HydrophobicContact CG2-CD2 3.94Å; T140-L262 HydrophobicContact CG2-CG 4.05Å; T140-I264 HydrophobicContact CG2-CD1 4.45Å
141L98.1Very high94.9Very high0 Ų017.1 Ų17.10%07%0.072CC..EExtended strand (participates in β ladder)trans-117.6125170.9176.661.2000108.7L143 I232 I256 I260 L262 L263 I264 I282 L286L141-L143 HydrophobicContact CD1-CD2 4.15Å; L141-L143 HydrophobicContact CD2-CD2 4.25Å; L141-L143 HydrophobicContact CG-CD2 4.18Å; L141-L143 HydrophobicContact CG-CG 4.41Å; L141-I232 WeakPolarHBondContact CA-O 3.42Å; L141-I232 HydrophobicContact CD1-CB 4.09Å; L141-I232 HydrophobicContact CD1-CG2 3.94Å; L141-I256 HydrophobicContact CD1-CG2 4.46Å; L141-I260 HydrophobicContact CB-CD1 3.72Å; L141-I260 HydrophobicContact CB-CG1 4.01Å; L141-I260 HydrophobicContact CB-CG2 4.06Å; L141-L262 PolarHBondContact N-O 2.77Å; L141-L263 HydrophobicContact CB-CD1 4.25Å; L141-L263 HydrophobicContact CD2-CD1 4.02Å; L141-L263 HydrophobicContact CG-CD1 4.1Å; L141-L263 WeakPolarHBondContact O-CA 3.47Å; L141-I264 PolarHBondContact O-N 2.7Å; L141-I282 HydrophobicContact CD2-CG2 4.45Å; L141-L286 HydrophobicContact CD2-CD2 3.95Å
142I98.5Very high95.1Very high0 Ų017.2 Ų17.20%07%0.072CC..EExtended strand (participates in β ladder)trans-112.5118.8171.1-51.7-166.6000108.6T140 I153 F157 L231 I232 L233 A234 I264T140-I142 HydrophobicContact CG2-CG1 4.17Å; I142-I153 HydrophobicContact CD1-CG2 4.27Å; I142-I153 HydrophobicContact CG2-CD1 4.03Å; I142-F157 HydrophobicContact CD1-CE2 4.06Å; I142-F157 HydrophobicContact CD1-CZ 3.9Å; I142-L231 HydrophobicContact CD1-CD1 3.86Å; I142-L231 HydrophobicContact CD1-CD2 4.45Å; I142-L231 HydrophobicContact CG1-CD1 4.16Å; I142-L231 HydrophobicContact CG1-CD2 4.4Å; I142-L231 HydrophobicContact CG1-CG 4.42Å; I142-I232 PolarHBondContact N-O 3.42Å; I142-L233 HydrophobicContact CB-CD1 3.78Å; I142-L233 HydrophobicContact CG2-CD1 3.73Å; I142-A234 PolarHBondContact O-N 3.46Å; I142-I264 CarbonylContact C-O 3.56Å; I142-I264 WeakPolarHBondContact CA-O 3.24Å; I142-I264 HydrophobicContact CB-CB 4.42Å; I142-I264 HydrophobicContact CD1-CD1 3.83Å; I142-I264 HydrophobicContact CG1-CB 4.06Å; I142-I264 HydrophobicContact CG1-CD1 3.96Å; I142-I264 HydrophobicContact CG2-CB 4.19Å; I142-I264 HydrophobicContact CG2-CG2 4.12Å
143L98.4Very high95.4Very high0 Ų017.1 Ų17.10%07%0.072CC..EExtended strand (participates in β ladder)trans-93.6120.8170.1-61-176.4000109.2L141 A234 I239 L263 I264 I265 D266 V279 I282L141-L143 HydrophobicContact CD1-CD2 4.15Å; L141-L143 HydrophobicContact CD2-CD2 4.25Å; L141-L143 HydrophobicContact CG-CD2 4.18Å; L141-L143 HydrophobicContact CG-CG 4.41Å; L143-A234 VanDerWaalsContact CA-O 3.32Å; L143-A234 WeakPolarHBondContact CA-O 3.38Å; L143-I239 HydrophobicContact CD2-CG1 4.38Å; L143-L263 HydrophobicContact CD1-CD1 4.42Å; L143-L263 HydrophobicContact CG-CD1 4.4Å; L143-I264 PolarHBondContact N-O 3.34Å; L143-I265 HydrophobicContact CB-CG1 4.45Å; L143-I265 HydrophobicContact CD1-CG1 4.3Å; L143-D266 PolarHBondContact O-N 3.36Å; L143-V279 HydrophobicContact CD1-CG1 4.35Å; L143-I282 HydrophobicContact CD1-CG2 4.39Å
144A97.8Very high95.7Very high0 Ų015 Ų150%06%0.062CC..  trans-130.4145.1175.500000109.9A149 I153 F209 L233 A234 S235A144-A149 HydrophobicContact CB-CB 4.24Å; A144-I153 HydrophobicContact CB-CD1 3.86Å; A144-F209 HydrophobicContact CB-CZ 4.19Å; A144-F209 VanDerWaalsContact O-CZ 3.32Å; A144-F209 WeakPolarHBondContact O-CZ 3.34Å; A144-L233 HydrophobicContact CB-CD1 4.15Å; A144-A234 PolarHBondContact N-O 2.79Å; A144-S235 WeakPolarHBondContact O-CA 3.49Å
145P97.1Very high96Very high0 Ų017.3 Ų17.30%07%0.071CC..SBendtrans-74.7-33.5-170.128.5-36.9000113.8A149 D207 Q267 M270 L271 Q274P145-A149 HydrophobicContact CG-CB 4.26Å; P145-D207 WeakPolarHBondContact O-CA 3.4Å; P145-D207 WeakPolarHBondContact O-CB 3.36Å; P145-Q267 HydrophobicContact CG-CB 3.72Å; P145-Q267 HydrophobicContact CG-CG 4.45Å; P145-M270 HydrophobicContact CB-CB 4.02Å; P145-M270 HydrophobicContact CB-CG 3.74Å; P145-M270 HydrophobicContact CB-SD 3.78Å; P145-M270 HydrophobicContact CG-CB 3.98Å; P145-M270 HydrophobicContact CG-CG 3.97Å; P145-M270 HydrophobicContact CG-SD 3.59Å; P145-M270 VanDerWaalsContact CG-SD 3.59Å; P145-L271 HydrophobicContact CB-CD2 3.79Å; P145-L271 HydrophobicContact CB-CG 4.23Å; P145-Q274 PolarHBondContact O-NE2 3.17Å
146T96.3Very high96.3Very high4 Ų417.3 Ų17.33%0.0257%0.072CC..SBendtrans-136.1161-172.961.60000112.9E148 A149 A150 N206 F209 M270T146-E148 VanDerWaalsContact C-N 3.28Å; T146-E148 PolarHBondContact O-N 3.41Å; T146-A149 PolarHBondContact O-N 3.05Å; T146-A149 PolarHBondContact OG1-N 2.76Å; T146-A150 PolarHBondContact O-N 3.29Å; T146-N206 CarbonylContact C-O 3.58Å; T146-N206 WeakPolarHBondContact CA-O 3.48Å; T146-F209 WeakPolarHBondContact O-CE1 3.4Å; T146-M270 HydrophobicContact CG2-CE 3.26Å; T146-M270 HydrophobicContact CG2-SD 3.94Å
147K97Very high96.6Very high36 Ų3616.6 Ų16.616%0.1577%0.069CC..Hα-helixtrans-58.6-37.5172.7-74.4-168.6-177.4177.70112.3A150 R151 D176 F177 N204 N206 N208 F209K147-A150 PolarHBondContact O-N 3.31Å; K147-R151 VanDerWaalsContact O-CB 3.29Å; K147-R151 WeakPolarHBondContact O-CB 3.4Å; K147-R151 PolarHBondContact O-N 2.63Å; K147-D176 VanDerWaalsContact CD-O 3.31Å; K147-D176 WeakPolarHBondContact CD-O 3.38Å; K147-D176 PolarHBondContact NZ-O 2.95Å; K147-F177 HydrophobicContact CB-CD1 3.62Å; K147-F177 HydrophobicContact CB-CE1 4.14Å; K147-F177 HydrophobicContact CB-CG 4.35Å; K147-F177 HydrophobicContact CD-CD1 4.19Å; K147-F177 HydrophobicContact CD-CE1 4.38Å; K147-F177 HydrophobicContact CD-CG 4.45Å; K147-F177 HydrophobicContact CG-CD1 3.73Å; K147-F177 HydrophobicContact CG-CE1 3.8Å; K147-F177 HydrophobicContact CG-CG 4.46Å; K147-F177 WeakPolarHBondContact O-CD1 3.4Å; K147-N204 HydrophobicContact CB-CB 4.05Å; K147-N206 HydrophobicContact CD-CB 3.99Å; K147-N206 HydrophobicContact CG-CB 4.22Å; K147-N206 WeakPolarHBondContact CG-O 3.36Å; K147-N206 PolarHBondContact N-O 2.98Å; K147-N208 WeakPolarHBondContact CE-O 3.36Å; K147-F209 HydrophobicContact CG-CB 4.04Å; K147-F209 HydrophobicContact CG-CD1 3.67Å; K147-F209 HydrophobicContact CG-CE1 4.44Å; K147-F209 HydrophobicContact CG-CG 4.01Å
148E94.7Very high96.9Very high10 Ų1012.9 Ų12.95%0.0476%0.057CC..Hα-helixtrans-64.4-43.5174.8177.257.4-15800112.1T146 A150 R151 R152 N204T146-E148 VanDerWaalsContact C-N 3.28Å; T146-E148 PolarHBondContact O-N 3.41Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 2.92Å; E148-R151 WeakPolarHBondContact O-CB 3.36Å; E148-R151 PolarHBondContact O-N 3.49Å; E148-R151 VanDerWaalsContact O-N 3.13Å; E148-R151 IonicContact OE1-CZ 2.77Å; E148-R151 IonicContact OE1-NE 3.52Å; E148-R151 IonicContact OE1-NH2 3.48Å; E148-R151 PolarHBondContact OE1-NH2 2.98Å; E148-R151 IonicContact OE2-CZ 3.12Å; E148-R151 IonicContact OE2-NE 2.83Å; E148-R151 PolarHBondContact OE2-NE 3.2Å; E148-R151 IonicContact OE2-NH2 3.26Å; E148-R151 PolarHBondContact OE2-NH2 2.95Å; E148-R152 WeakPolarHBondContact O-CG 3.44Å; E148-R152 PolarHBondContact O-N 3.31Å; E148-R152 IonicContact OE1-CZ 2.88Å; E148-R152 IonicContact OE1-NE 3.42Å; E148-R152 PolarHBondContact OE1-NE 3.45Å; E148-R152 IonicContact OE1-NH2 3.47Å; E148-N204 WeakPolarHBondContact CB-O 3.49Å; E148-N204 PolarHBondContact N-O 3.13Å
149A95.4Very high96.9Very high4 Ų420.4 Ų20.43%0.0339%0.092CC..Hα-helixtrans-60.1-45.4175.100000111.1A144 P145 T146 R151 R152 I153A144-A149 HydrophobicContact CB-CB 4.24Å; P145-A149 HydrophobicContact CG-CB 4.26Å; T146-A149 PolarHBondContact O-N 3.05Å; T146-A149 PolarHBondContact OG1-N 2.76Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 2.73Å; A149-R152 PolarHBondContact O-N 2.93Å; A149-I153 WeakPolarHBondContact O-CG1 3.32Å; A149-I153 PolarHBondContact O-N 3.26Å
150A97.7Very high96.9Very high0 Ų020.4 Ų20.40%09%0.093CC..Hα-helixtrans-61-38.7173.500000112.6T146 K147 E148 I153 V154 F177 F209 L233T146-A150 PolarHBondContact O-N 3.29Å; K147-A150 PolarHBondContact O-N 3.31Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 2.92Å; A150-I153 WeakPolarHBondContact O-CB 3.43Å; A150-I153 PolarHBondContact O-N 3.19Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.22Å; A150-F177 HydrophobicContact CB-CD1 4.06Å; A150-F177 HydrophobicContact CB-CE1 3.82Å; A150-F209 HydrophobicContact CB-CD2 4.17Å; A150-F209 HydrophobicContact CB-CE1 4.45Å; A150-F209 HydrophobicContact CB-CE2 3.47Å; A150-F209 VanDerWaalsContact CB-CE2 3.47Å; A150-F209 HydrophobicContact CB-CZ 3.64Å; A150-L233 HydrophobicContact CB-CD1 4.32Å; A150-L233 HydrophobicContact CB-CD2 3.77Å; A150-L233 HydrophobicContact CB-CG 4.09Å
151R97.1Very high96.8Very high54 Ų5421 Ų2120%0.20410%0.096CC..Hα-helixtrans-60.2-47.1175.4-161.2-173.465.990.41.6111.5K147 E148 A149 I153 V154 H155 F173 F177K147-R151 VanDerWaalsContact O-CB 3.29Å; K147-R151 WeakPolarHBondContact O-CB 3.4Å; K147-R151 PolarHBondContact O-N 2.63Å; E148-R151 WeakPolarHBondContact O-CB 3.36Å; E148-R151 PolarHBondContact O-N 3.49Å; E148-R151 VanDerWaalsContact O-N 3.13Å; E148-R151 IonicContact OE1-CZ 2.77Å; E148-R151 IonicContact OE1-NE 3.52Å; E148-R151 IonicContact OE1-NH2 3.48Å; E148-R151 PolarHBondContact OE1-NH2 2.98Å; E148-R151 IonicContact OE2-CZ 3.12Å; E148-R151 IonicContact OE2-NE 2.83Å; E148-R151 PolarHBondContact OE2-NE 3.2Å; E148-R151 IonicContact OE2-NH2 3.26Å; E148-R151 PolarHBondContact OE2-NH2 2.95Å; A149-R151 VanDerWaalsContact C-N 3.31Å; A149-R151 PolarHBondContact O-N 2.73Å; R151-I153 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 3.38Å; R151-V154 PolarHBondContact O-N 3.49Å; R151-H155 PolarHBondContact NH1-CD2 2.76Å; R151-H155 PolarHBondContact NH1-NE2 3.47Å; R151-H155 PolarHBondContact O-CD2 3.26Å; R151-H155 PolarHBondContact O-N 3.41Å; R151-F173 HydrophobicContact CB-CZ 4.4Å; R151-F173 HydrophobicContact CG-CE1 3.9Å; R151-F173 HydrophobicContact CG-CZ 4.23Å; R151-F177 HydrophobicContact CB-CB 4.28Å; R151-F177 HydrophobicContact CG-CB 4.3Å
152R95.6Very high96.5Very high47 Ų4724.1 Ų24.118%0.17712%0.117CC..Hα-helixtrans-61.1-41.3176.3-66.4178.4-167.9170.98.8111.7E148 A149 H155 T156 E199 S202E148-R152 WeakPolarHBondContact O-CG 3.44Å; E148-R152 PolarHBondContact O-N 3.31Å; E148-R152 IonicContact OE1-CZ 2.88Å; E148-R152 IonicContact OE1-NE 3.42Å; E148-R152 PolarHBondContact OE1-NE 3.45Å; E148-R152 IonicContact OE1-NH2 3.47Å; A149-R152 PolarHBondContact O-N 2.93Å; R152-H155 PolarHBondContact O-N 3.4Å; R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 3.43Å; R152-T156 VanDerWaalsContact O-OG1 3.07Å; R152-E199 IonicContact NH1-OE1 3.68Å; R152-E199 PolarHBondContact NH2-O 3.27Å; R152-E199 VanDerWaalsContact NH2-O 3.12Å; R152-S202 PolarHBondContact NH2-OG 3.37Å
153I97.6Very high96.2Very high0 Ų034.6 Ų34.60%016%0.162CC..Hα-helixtrans-61-49.6175.8-70.7163.3000111.2R96 Y99 I142 A144 A149 A150 R151 H155 T156 F157 L233R96-I153 HydrophobicContact CG-CG1 4.49Å; Y99-I153 HydrophobicContact CE2-CG1 4.28Å; Y99-I153 WeakPolarHBondContact OH-CG1 3.37Å; I142-I153 HydrophobicContact CD1-CG2 4.27Å; I142-I153 HydrophobicContact CG2-CD1 4.03Å; A144-I153 HydrophobicContact CB-CD1 3.86Å; A149-I153 WeakPolarHBondContact O-CG1 3.32Å; A149-I153 PolarHBondContact O-N 3.26Å; A150-I153 WeakPolarHBondContact O-CB 3.43Å; A150-I153 PolarHBondContact O-N 3.19Å; R151-I153 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 3.38Å; I153-H155 PolarHBondContact O-N 2.99Å; I153-T156 WeakPolarHBondContact O-CB 3.2Å; I153-T156 PolarHBondContact O-N 3.1Å; I153-F157 HydrophobicContact CG2-CD2 3.87Å; I153-F157 HydrophobicContact CG2-CE2 3.48Å; I153-F157 VanDerWaalsContact CG2-CE2 3.48Å; I153-F157 VanDerWaalsContact O-CD2 3.28Å; I153-F157 WeakPolarHBondContact O-CD2 3.39Å; I153-F157 PolarHBondContact O-N 2.97Å; I153-L233 HydrophobicContact CB-CD2 4.37Å; I153-L233 HydrophobicContact CD1-CD1 4.11Å; I153-L233 HydrophobicContact CG2-CD1 4.39Å; I153-L233 HydrophobicContact CG2-CD2 4.07Å
154V98Very high95.8Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-62-44.1178173.60000110.9A150 R151 T156 F157 L158 F173 I211 M213 L222 L233A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.22Å; R151-V154 PolarHBondContact O-N 3.49Å; V154-T156 VanDerWaalsContact C-N 3.3Å; V154-T156 PolarHBondContact O-N 2.84Å; V154-F157 WeakPolarHBondContact O-CB 3.11Å; V154-F157 PolarHBondContact O-N 3.09Å; V154-F157 VanDerWaalsContact O-N 3.14Å; V154-L158 HydrophobicContact CG1-CD1 4.4Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 WeakPolarHBondContact O-CG 3.38Å; V154-L158 PolarHBondContact O-N 2.81Å; V154-F173 HydrophobicContact CB-CE1 3.73Å; V154-F173 HydrophobicContact CB-CE2 4.23Å; V154-F173 HydrophobicContact CB-CZ 3.43Å; V154-F173 VanDerWaalsContact CB-CZ 3.43Å; V154-F173 HydrophobicContact CG1-CD1 4.16Å; V154-F173 HydrophobicContact CG1-CE1 3.6Å; V154-F173 HydrophobicContact CG1-CE2 4.31Å; V154-F173 HydrophobicContact CG1-CZ 3.68Å; V154-F173 HydrophobicContact CG2-CE1 4.26Å; V154-F173 HydrophobicContact CG2-CE2 3.82Å; V154-F173 HydrophobicContact CG2-CZ 3.47Å; V154-F173 VanDerWaalsContact CG2-CZ 3.47Å; V154-I211 HydrophobicContact CG2-CD1 4.07Å; V154-M213 HydrophobicContact CG2-CE 4.35Å; V154-M213 HydrophobicContact CG2-SD 4Å; V154-L222 HydrophobicContact CG1-CD1 4.22Å; V154-L222 HydrophobicContact CG1-CD2 3.95Å; V154-L233 HydrophobicContact CG2-CD2 3.69Å
155H96.9Very high95.7Very high53 Ų5339.7 Ų39.725%0.24521%0.21CC..Hα-helixtrans-59.9-39.4175-78.1-60.1000112.8R151 R152 I153 L158 H159 E174R151-H155 PolarHBondContact NH1-CD2 2.76Å; R151-H155 PolarHBondContact NH1-NE2 3.47Å; R151-H155 PolarHBondContact O-CD2 3.26Å; R151-H155 PolarHBondContact O-N 3.41Å; R152-H155 PolarHBondContact O-N 3.4Å; I153-H155 PolarHBondContact O-N 2.99Å; H155-L158 PolarHBondContact O-N 3.26Å; H155-H159 WeakPolarHBondContact O-CB 3.22Å; H155-H159 PolarHBondContact O-N 3.23Å; H155-E174 IonicContact CE1-OE1 2.59Å; H155-E174 PolarHBondContact CE1-OE1 3.11Å; H155-E174 IonicContact CE1-OE2 3.29Å; H155-E174 IonicContact NE2-OE1 2.63Å; H155-E174 IonicContact NE2-OE2 2.75Å
156T97Very high95.6Very high15 Ų1544 Ų449%0.09224%0.237CC..Hα-helixtrans-62.4-42.8174-62.70000111.4R96 L97 C100 R152 I153 V154 L158 H159 L160R96-T156 HydrophobicContact CG-CG2 4.2Å; R96-T156 PolarHBondContact NE-OG1 3.02Å; R96-T156 VanDerWaalsContact NE-OG1 3.08Å; L97-T156 HydrophobicContact CD1-CG2 4Å; C100-T156 HydrophobicContact CB-CG2 3.7Å; R152-T156 PolarHBondContact O-N 3.43Å; R152-T156 PolarHBondContact O-OG1 3.43Å; R152-T156 VanDerWaalsContact O-OG1 3.07Å; I153-T156 WeakPolarHBondContact O-CB 3.2Å; I153-T156 PolarHBondContact O-N 3.1Å; V154-T156 VanDerWaalsContact C-N 3.3Å; V154-T156 PolarHBondContact O-N 2.84Å; T156-L158 PolarHBondContact O-N 3.46Å; T156-H159 PolarHBondContact O-N 3.27Å; T156-L160 HydrophobicContact CG2-CD1 4.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.37Å
157F97.5Very high95.7Very high0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-59.3-45172.2-75.9-61.8000112.2C100 A103 L104 I142 I153 V154 H159 L160 M161 M213 F215 L231C100-F157 HydrophobicContact CB-CD1 4.03Å; C100-F157 HydrophobicContact CB-CE1 3.83Å; C100-F157 HydrophobicContact CB-CZ 4.12Å; C100-F157 WeakPolarHBondContact O-CE1 3.07Å; A103-F157 HydrophobicContact CB-CE1 4.1Å; A103-F157 HydrophobicContact CB-CZ 4.03Å; L104-F157 HydrophobicContact CB-CD1 4.16Å; L104-F157 HydrophobicContact CB-CE1 4.09Å; L104-F157 HydrophobicContact CD2-CD1 4.4Å; I142-F157 HydrophobicContact CD1-CE2 4.06Å; I142-F157 HydrophobicContact CD1-CZ 3.9Å; I153-F157 HydrophobicContact CG2-CD2 3.87Å; I153-F157 HydrophobicContact CG2-CE2 3.48Å; I153-F157 VanDerWaalsContact CG2-CE2 3.48Å; I153-F157 VanDerWaalsContact O-CD2 3.28Å; I153-F157 WeakPolarHBondContact O-CD2 3.39Å; I153-F157 PolarHBondContact O-N 2.97Å; V154-F157 WeakPolarHBondContact O-CB 3.11Å; V154-F157 PolarHBondContact O-N 3.09Å; V154-F157 VanDerWaalsContact O-N 3.14Å; F157-H159 VanDerWaalsContact C-N 3.28Å; F157-H159 PolarHBondContact O-N 3.23Å; F157-L160 PolarHBondContact O-N 2.83Å; F157-M161 WeakPolarHBondContact O-CG 3.25Å; F157-M161 PolarHBondContact O-N 2.63Å; F157-M213 HydrophobicContact CB-CE 4.36Å; F157-M213 HydrophobicContact CD2-CE 3.92Å; F157-M213 HydrophobicContact CD2-SD 4.41Å; F157-M213 HydrophobicContact CG-CE 4.31Å; F157-F215 HydrophobicContact CB-CE1 4.39Å; F157-F215 HydrophobicContact CD1-CE1 4.19Å; F157-F215 AromaticContact CD1-CZ 3.92Å; F157-F215 HydrophobicContact CD1-CZ 3.92Å; F157-F215 HydrophobicContact CD2-CZ 4.4Å; F157-F215 HydrophobicContact CE1-CZ 4.03Å; F157-F215 HydrophobicContact CG-CE1 4.27Å; F157-F215 HydrophobicContact CG-CZ 4.12Å; F157-F215 HydrophobicContact CZ-CZ 4.34Å; F157-L231 HydrophobicContact CE1-CD1 4.35Å; F157-L231 HydrophobicContact CE2-CD1 4.09Å; F157-L231 HydrophobicContact CZ-CD1 3.57Å
158L96.3Very high95.7Very high29 Ų2946.2 Ų46.215%0.15226%0.255CS..Hα-helixtrans-64.7-32.9179.1-63.4-172000112.5V154 H155 T156 V167 V220V154-L158 HydrophobicContact CG1-CD1 4.4Å; V154-L158 HydrophobicContact CG1-CG 4.32Å; V154-L158 WeakPolarHBondContact O-CG 3.38Å; V154-L158 PolarHBondContact O-N 2.81Å; H155-L158 PolarHBondContact O-N 3.26Å; T156-L158 PolarHBondContact O-N 3.46Å; L158-V167 HydrophobicContact CD1-CG1 4.32Å; L158-V167 HydrophobicContact CD1-CG2 4.32Å; L158-V167 HydrophobicContact CD2-CB 4.41Å; L158-V167 HydrophobicContact CD2-CG1 3.9Å; L158-V167 HydrophobicContact CD2-CG2 3.55Å; L158-V220 HydrophobicContact CD2-CB 4.17Å; L158-V220 HydrophobicContact CD2-CG1 4.27Å; L158-V220 HydrophobicContact CD2-CG2 4.16Å
159H95.2Very high95.8Very high157 Ų15750.2 Ų50.273%0.72727%0.274SS*.Hα-helixtrans-71.5-35.9175.6-174.679.5000112.6H155 T156 F157 M161H155-H159 WeakPolarHBondContact O-CB 3.22Å; H155-H159 PolarHBondContact O-N 3.23Å; T156-H159 PolarHBondContact O-N 3.27Å; F157-H159 VanDerWaalsContact C-N 3.28Å; F157-H159 PolarHBondContact O-N 3.23Å; H159-M161 VanDerWaalsContact C-N 3.27Å; H159-M161 PolarHBondContact O-N 2.59Å
160L95.7Very high95.8Very high20 Ų2055.8 Ų55.811%0.10529%0.294CS..Hα-helixtrans-70.5-21.9176.5-76165.9000113.3I62 P64 L97 C100 L104 T156 F157I62-L160 HydrophobicContact CG2-CB 4.28Å; I62-L160 HydrophobicContact CG2-CD2 3.98Å; P64-L160 HydrophobicContact CB-CD2 4.09Å; L97-L160 HydrophobicContact CD1-CD1 4.22Å; L97-L160 HydrophobicContact CD1-CD2 3.55Å; L97-L160 HydrophobicContact CD1-CG 3.84Å; L97-L160 HydrophobicContact CG-CD2 4.38Å; C100-L160 HydrophobicContact CB-CD1 3.73Å; L104-L160 HydrophobicContact CD2-CB 4.09Å; T156-L160 HydrophobicContact CG2-CD1 4.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.37Å; F157-L160 PolarHBondContact O-N 2.83Å
161M94.8Very high95.8Very high12 Ų1266.9 Ų66.96%0.05934%0.336CS..SBendtrans-72.5148178.1-72.4-63.3-70.400111.9L104 F157 H159 K163 S216 V220L104-M161 HydrophobicContact CD1-SD 4.29Å; L104-M161 HydrophobicContact CD2-CG 4.5Å; L104-M161 HydrophobicContact CD2-SD 3.89Å; F157-M161 WeakPolarHBondContact O-CG 3.25Å; F157-M161 PolarHBondContact O-N 2.63Å; H159-M161 VanDerWaalsContact C-N 3.27Å; H159-M161 PolarHBondContact O-N 2.59Å; M161-K163 PolarHBondContact O-N 2.62Å; M161-S216 WeakPolarHBondContact CE-O 3.46Å; M161-V220 HydrophobicContact CE-CG2 3.91Å; M161-V220 HydrophobicContact CG-CG2 3.63Å; M161-V220 HydrophobicContact SD-CG2 4.05Å
162P92.7Very high95.8Very high66 Ų6670 Ų7043%0.42935%0.348SS..PPolyproline II helixtrans-54.4141.8176.4-25.433.6000112.4G164 S165P162-G164 PolarHBondContact O-N 3Å; P162-S165 VanDerWaalsContact O-CB 3.32Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 2.82Å; P162-S165 PolarHBondContact O-OG 3.13Å
163K90.8Very high95.9Very high220 Ų22067.8 Ų67.896%0.95734%0.339SS*.THydrogen-bonded Turntrans-53.5131.3176.4-65.7-176.9-179.61790110.3M161M161-K163 PolarHBondContact O-N 2.62Å
164G91.3Very high95.9Very high81 Ų8170.6 Ų70.684%0.83535%0.353SS*.THydrogen-bonded Turntrans893.7-176.100000115.2P162P162-G164 PolarHBondContact O-N 3Å
165S94.7Very high95.8Very high25 Ų2578.5 Ų78.518%0.17538%0.382CS..  trans-61.7139.7172.9-64.20000112P162 K218P162-S165 VanDerWaalsContact O-CB 3.32Å; P162-S165 WeakPolarHBondContact O-CB 3.37Å; P162-S165 PolarHBondContact O-N 2.82Å; P162-S165 PolarHBondContact O-OG 3.13Å; S165-K218 CarbonylContact C-O 3.58Å; S165-K218 WeakPolarHBondContact CA-O 3.45Å; S165-K218 WeakPolarHBondContact CB-O 3.25Å
166T96.3Very high95.8Very high90 Ų9077.7 Ų77.755%0.55238%0.38SS*.EExtended strand (participates in β ladder)trans-85140.7-179.759.30000111.2K218 S219 V220T166-K218 PolarHBondContact N-O 3.47Å; T166-S219 CarbonylContact O-C 3.56Å; T166-S219 VanDerWaalsContact O-CA 3.23Å; T166-S219 WeakPolarHBondContact O-CA 3.23Å; T166-S219 WeakPolarHBondContact OG1-CB 3.46Å; T166-V220 PolarHBondContact O-N 2.86Å
167V97.5Very high95.8Very high36 Ų3677.2 Ų77.222%0.21838%0.377CS..EExtended strand (participates in β ladder)trans-122.7109-179.8-1720000109.8L158 R170 V220 L222L158-V167 HydrophobicContact CD1-CG1 4.32Å; L158-V167 HydrophobicContact CD1-CG2 4.32Å; L158-V167 HydrophobicContact CD2-CB 4.41Å; L158-V167 HydrophobicContact CD2-CG1 3.9Å; L158-V167 HydrophobicContact CD2-CG2 3.55Å; V167-R170 HydrophobicContact CB-CB 4.2Å; V167-R170 HydrophobicContact CG1-CB 3.88Å; V167-R170 HydrophobicContact CG1-CG 4.36Å; V167-V220 CarbonylContact C-O 3.6Å; V167-V220 VanDerWaalsContact CA-O 3.31Å; V167-V220 WeakPolarHBondContact CA-O 3.19Å; V167-L222 HydrophobicContact CG1-CD1 3.81Å; V167-L222 HydrophobicContact CG1-CG 4.04Å
168S96.8Very high95.6Very high51 Ų5177.4 Ų77.436%0.35738%0.378SS..EExtended strand (participates in β ladder)trans-73143.4176-47.30000110.8R170 V220 L222S168-R170 PolarHBondContact O-N 3.27Å; S168-R170 VanDerWaalsContact O-N 3.15Å; S168-V220 PolarHBondContact N-O 2.68Å; S168-L222 WeakPolarHBondContact O-CB 3.2Å; S168-L222 PolarHBondContact O-N 3.35Å
169H96.7Very high95.3Very high94 Ų9479.5 Ų79.544%0.43539%0.394SS..THydrogen-bonded Turntrans57.821178.2-51115.5000116.2R171 R172 F173 L222 Y223H169-R171 VanDerWaalsContact C-N 3.35Å; H169-R171 PolarHBondContact O-N 3.41Å; H169-R172 HydrophobicContact CB-CB 4.45Å; H169-R172 WeakPolarHBondContact O-CB 2.97Å; H169-R172 PolarHBondContact O-N 3.23Å; H169-R172 VanDerWaalsContact O-N 3.17Å; H169-F173 PolarHBondContact O-N 3.46Å; H169-L222 PolarHBondContact ND1-O 2.9Å; H169-Y223 HydrophobicContact CB-CD2 3.87Å
170R96.5Very high95Very high122 Ų12275.7 Ų75.746%0.4638%0.376SS..Hα-helixtrans-55.1-44.4179.1-173.4173.6178.4170.9-1.9113.5V167 S168 R172 F173 E174V167-R170 HydrophobicContact CB-CB 4.2Å; V167-R170 HydrophobicContact CG1-CB 3.88Å; V167-R170 HydrophobicContact CG1-CG 4.36Å; S168-R170 PolarHBondContact O-N 3.27Å; S168-R170 VanDerWaalsContact O-N 3.15Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.34Å; R170-F173 WeakPolarHBondContact O-CB 3.03Å; R170-F173 PolarHBondContact O-N 2.75Å; R170-F173 VanDerWaalsContact O-N 3.16Å; R170-E174 HydrophobicContact CG-CG 4.44Å; R170-E174 IonicContact NE-OE1 3Å; R170-E174 WeakPolarHBondContact O-CG 3.43Å; R170-E174 PolarHBondContact O-N 3.46Å
171R96.9Very high94.2Very high233 Ų23380.9 Ų80.988%0.87941%0.411SS*.Hα-helixtrans-61.6-39.7179.5-67.5-176-178.9174-0112.7H169 R175H169-R171 VanDerWaalsContact C-N 3.35Å; H169-R171 PolarHBondContact O-N 3.41Å; R171-R175 PolarHBondContact O-N 3.15Å
172R97.2Very high93.2Very high119 Ų11982 Ų8245%0.44943%0.426SS..Hα-helixtrans-63.2-44.6174.7178-179.3177.3-177.31.5110.5H169 R170 R175 D176 Y223H169-R172 HydrophobicContact CB-CB 4.45Å; H169-R172 WeakPolarHBondContact O-CB 2.97Å; H169-R172 PolarHBondContact O-N 3.23Å; H169-R172 VanDerWaalsContact O-N 3.17Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.34Å; R172-R175 PolarHBondContact O-N 3.31Å; R172-D176 WeakPolarHBondContact CG-OD2 3.27Å; R172-D176 IonicContact NE-OD2 3.35Å; R172-D176 PolarHBondContact NE-OD2 2.8Å; R172-D176 WeakPolarHBondContact O-CB 3.06Å; R172-D176 PolarHBondContact O-N 3.43Å; R172-Y223 HydrophobicContact CB-CE2 4.33Å; R172-Y223 HydrophobicContact CG-CE2 3.98Å
173F97.9Very high92.2Very high0 Ų079.7 Ų79.70%041%0.41CS..Hα-helixtrans-57.7-52.6177.8-177.7-104.4000112.6R151 V154 H169 R170 R175 D176 F177 I211 L222 Y223R151-F173 HydrophobicContact CB-CZ 4.4Å; R151-F173 HydrophobicContact CG-CE1 3.9Å; R151-F173 HydrophobicContact CG-CZ 4.23Å; V154-F173 HydrophobicContact CB-CE1 3.73Å; V154-F173 HydrophobicContact CB-CE2 4.23Å; V154-F173 HydrophobicContact CB-CZ 3.43Å; V154-F173 VanDerWaalsContact CB-CZ 3.43Å; V154-F173 HydrophobicContact CG1-CD1 4.16Å; V154-F173 HydrophobicContact CG1-CE1 3.6Å; V154-F173 HydrophobicContact CG1-CE2 4.31Å; V154-F173 HydrophobicContact CG1-CZ 3.68Å; V154-F173 HydrophobicContact CG2-CE1 4.26Å; V154-F173 HydrophobicContact CG2-CE2 3.82Å; V154-F173 HydrophobicContact CG2-CZ 3.47Å; V154-F173 VanDerWaalsContact CG2-CZ 3.47Å; H169-F173 PolarHBondContact O-N 3.46Å; R170-F173 WeakPolarHBondContact O-CB 3.03Å; R170-F173 PolarHBondContact O-N 2.75Å; R170-F173 VanDerWaalsContact O-N 3.16Å; F173-R175 PolarHBondContact O-N 2.93Å; F173-D176 PolarHBondContact O-N 2.66Å; F173-D176 VanDerWaalsContact O-N 3.17Å; F173-F177 HydrophobicContact CD2-CB 4.36Å; F173-F177 AromaticContact CD2-CD2 3.45Å; F173-F177 HydrophobicContact CD2-CD2 3.45Å; F173-F177 VanDerWaalsContact CD2-CD2 3.45Å; F173-F177 AromaticContact CD2-CE2 3.9Å; F173-F177 HydrophobicContact CD2-CE2 3.9Å; F173-F177 AromaticContact CD2-CG 3.96Å; F173-F177 HydrophobicContact CD2-CG 3.96Å; F173-F177 HydrophobicContact CE1-CB 4.41Å; F173-F177 HydrophobicContact CE2-CB 3.97Å; F173-F177 AromaticContact CE2-CD1 3.94Å; F173-F177 HydrophobicContact CE2-CD1 3.94Å; F173-F177 AromaticContact CE2-CD2 3.4Å; F173-F177 HydrophobicContact CE2-CD2 3.4Å; F173-F177 VanDerWaalsContact CE2-CD2 3.4Å; F173-F177 HydrophobicContact CE2-CE1 4.31Å; F173-F177 AromaticContact CE2-CE2 3.82Å; F173-F177 HydrophobicContact CE2-CE2 3.82Å; F173-F177 AromaticContact CE2-CG 3.49Å; F173-F177 HydrophobicContact CE2-CG 3.49Å; F173-F177 VanDerWaalsContact CE2-CG 3.49Å; F173-F177 HydrophobicContact CE2-CZ 4.25Å; F173-F177 HydrophobicContact CG-CD2 4.35Å; F173-F177 HydrophobicContact CZ-CB 4.01Å; F173-F177 HydrophobicContact CZ-CD1 4.33Å; F173-F177 HydrophobicContact CZ-CD2 4.29Å; F173-F177 AromaticContact CZ-CG 3.96Å; F173-F177 HydrophobicContact CZ-CG 3.96Å; F173-F177 WeakPolarHBondContact O-CB 3.38Å; F173-F177 PolarHBondContact O-N 3.11Å; F173-I211 HydrophobicContact CD2-CD1 4.33Å; F173-I211 HydrophobicContact CE2-CD1 3.85Å; F173-L222 HydrophobicContact CB-CD1 3.76Å; F173-L222 HydrophobicContact CD1-CD1 4.3Å; F173-L222 HydrophobicContact CD2-CD1 4.34Å; F173-L222 HydrophobicContact CG-CD1 3.87Å; F173-Y223 WeakPolarHBondContact CA-OH 3.44Å; F173-Y223 HydrophobicContact CB-CE2 3.93Å; F173-Y223 HydrophobicContact CD2-CE2 4.28Å
174E97Very high90.8Very high60 Ų6073.1 Ų73.128%0.2839%0.388SS..Hα-helixtrans-61.3-33.6179.9-61.6-65.7175.400112.4H155 R170 G178H155-E174 IonicContact CE1-OE1 2.59Å; H155-E174 PolarHBondContact CE1-OE1 3.11Å; H155-E174 IonicContact CE1-OE2 3.29Å; H155-E174 IonicContact NE2-OE1 2.63Å; H155-E174 IonicContact NE2-OE2 2.75Å; R170-E174 HydrophobicContact CG-CG 4.44Å; R170-E174 IonicContact NE-OE1 3Å; R170-E174 WeakPolarHBondContact O-CG 3.43Å; R170-E174 PolarHBondContact O-N 3.46Å; E174-G178 WeakPolarHBondContact O-CA 3.47Å; E174-G178 PolarHBondContact O-N 3.2Å
175R96.1Very high89.4Confident165 Ų16573 Ų7362%0.62337%0.369SS*.Hα-helixtrans-68.9-44.8175.1-176.8-166.765.6-169.91.7112.2R171 R172 F173 Q180R171-R175 PolarHBondContact O-N 3.15Å; R172-R175 PolarHBondContact O-N 3.31Å; F173-R175 PolarHBondContact O-N 2.93Å; R175-Q180 PolarHBondContact O-NE2 3.19Å
176D96.5Very high88Confident37 Ų3776 Ų7620%0.19838%0.379CS..Hα-helixtrans-81.5-31.1-171.9-62-4.8000112.5K147 R172 F173 N204 Y223K147-D176 VanDerWaalsContact CD-O 3.31Å; K147-D176 WeakPolarHBondContact CD-O 3.38Å; K147-D176 PolarHBondContact NZ-O 2.95Å; R172-D176 WeakPolarHBondContact CG-OD2 3.27Å; R172-D176 IonicContact NE-OD2 3.35Å; R172-D176 PolarHBondContact NE-OD2 2.8Å; R172-D176 WeakPolarHBondContact O-CB 3.06Å; R172-D176 PolarHBondContact O-N 3.43Å; F173-D176 PolarHBondContact O-N 2.66Å; F173-D176 VanDerWaalsContact O-N 3.17Å; D176-N204 PolarHBondContact O-ND2 2.87Å; D176-Y223 WeakPolarHBondContact CB-OH 3.35Å; D176-Y223 PolarHBondContact OD2-OH 3.34Å
177F97.3Very high86.3Confident5 Ų576 Ų762%0.02237%0.372CS..Hα-helixtrans-109.9-19.8-176.6-74.2-100.1000114.1K147 A150 R151 F173 N204 F209 I211K147-F177 HydrophobicContact CB-CD1 3.62Å; K147-F177 HydrophobicContact CB-CE1 4.14Å; K147-F177 HydrophobicContact CB-CG 4.35Å; K147-F177 HydrophobicContact CD-CD1 4.19Å; K147-F177 HydrophobicContact CD-CE1 4.38Å; K147-F177 HydrophobicContact CD-CG 4.45Å; K147-F177 HydrophobicContact CG-CD1 3.73Å; K147-F177 HydrophobicContact CG-CE1 3.8Å; K147-F177 HydrophobicContact CG-CG 4.46Å; K147-F177 WeakPolarHBondContact O-CD1 3.4Å; A150-F177 HydrophobicContact CB-CD1 4.06Å; A150-F177 HydrophobicContact CB-CE1 3.82Å; R151-F177 HydrophobicContact CB-CB 4.28Å; R151-F177 HydrophobicContact CG-CB 4.3Å; F173-F177 HydrophobicContact CD2-CB 4.36Å; F173-F177 AromaticContact CD2-CD2 3.45Å; F173-F177 HydrophobicContact CD2-CD2 3.45Å; F173-F177 VanDerWaalsContact CD2-CD2 3.45Å; F173-F177 AromaticContact CD2-CE2 3.9Å; F173-F177 HydrophobicContact CD2-CE2 3.9Å; F173-F177 AromaticContact CD2-CG 3.96Å; F173-F177 HydrophobicContact CD2-CG 3.96Å; F173-F177 HydrophobicContact CE1-CB 4.41Å; F173-F177 HydrophobicContact CE2-CB 3.97Å; F173-F177 AromaticContact CE2-CD1 3.94Å; F173-F177 HydrophobicContact CE2-CD1 3.94Å; F173-F177 AromaticContact CE2-CD2 3.4Å; F173-F177 HydrophobicContact CE2-CD2 3.4Å; F173-F177 VanDerWaalsContact CE2-CD2 3.4Å; F173-F177 HydrophobicContact CE2-CE1 4.31Å; F173-F177 AromaticContact CE2-CE2 3.82Å; F173-F177 HydrophobicContact CE2-CE2 3.82Å; F173-F177 AromaticContact CE2-CG 3.49Å; F173-F177 HydrophobicContact CE2-CG 3.49Å; F173-F177 VanDerWaalsContact CE2-CG 3.49Å; F173-F177 HydrophobicContact CE2-CZ 4.25Å; F173-F177 HydrophobicContact CG-CD2 4.35Å; F173-F177 HydrophobicContact CZ-CB 4.01Å; F173-F177 HydrophobicContact CZ-CD1 4.33Å; F173-F177 HydrophobicContact CZ-CD2 4.29Å; F173-F177 AromaticContact CZ-CG 3.96Å; F173-F177 HydrophobicContact CZ-CG 3.96Å; F173-F177 WeakPolarHBondContact O-CB 3.38Å; F173-F177 PolarHBondContact O-N 3.11Å; F177-N204 VanDerWaalsContact O-CB 3.29Å; F177-N204 WeakPolarHBondContact O-CB 3.5Å; F177-F209 HydrophobicContact CE1-CB 3.93Å; F177-F209 HydrophobicContact CE1-CD1 4.48Å; F177-F209 AromaticContact CE1-CD2 3.65Å; F177-F209 HydrophobicContact CE1-CD2 3.65Å; F177-F209 HydrophobicContact CE1-CE2 4.32Å; F177-F209 AromaticContact CE1-CG 3.75Å; F177-F209 HydrophobicContact CE1-CG 3.75Å; F177-F209 HydrophobicContact CZ-CB 3.81Å; F177-F209 AromaticContact CZ-CD2 3.95Å; F177-F209 HydrophobicContact CZ-CD2 3.95Å; F177-F209 HydrophobicContact CZ-CG 4.07Å; F177-I211 HydrophobicContact CE2-CG2 3.76Å; F177-I211 HydrophobicContact CZ-CD1 4.39Å; F177-I211 HydrophobicContact CZ-CG2 3.63Å
178G93.7Very high84.5Confident3 Ų381.9 Ų81.93%0.03140%0.395CS..SBendtrans-67.3171.1176.600000113.2E174 Q180 N204E174-G178 WeakPolarHBondContact O-CA 3.47Å; E174-G178 PolarHBondContact O-N 3.2Å; G178-Q180 PolarHBondContact O-N 3.26Å; G178-Q180 PolarHBondContact O-NE2 2.76Å; G178-Q180 VanDerWaalsContact O-NE2 3.08Å; G178-N204 WeakPolarHBondContact O-CB 3.37Å; G178-N204 PolarHBondContact O-ND2 3.37Å; G178-N204 VanDerWaalsContact O-ND2 3.16Å
179P90.2Very high83Confident74 Ų7485.5 Ų85.548%0.48140%0.404SS..PPolyproline II helixtrans-55.1135.8178.5-23.533.6000112D183P179-D183 HydrophobicContact CB-CB 4.32Å
180Q88.4Confident81.5Confident76 Ų7686.4 Ų86.436%0.35541%0.407SS..PPolyproline II helixtrans-92.3161.1-178.8-62.5-60.1-48.600111.6R175 G178 G182 D183 N204R175-Q180 PolarHBondContact O-NE2 3.19Å; G178-Q180 PolarHBondContact O-N 3.26Å; G178-Q180 PolarHBondContact O-NE2 2.76Å; G178-Q180 VanDerWaalsContact O-NE2 3.08Å; Q180-G182 PolarHBondContact O-N 2.76Å; Q180-G182 VanDerWaalsContact O-N 3.09Å; Q180-D183 PolarHBondContact N-OD2 2.96Å; Q180-D183 WeakPolarHBondContact O-CB 3.37Å; Q180-D183 PolarHBondContact O-N 3.22Å; Q180-N204 PolarHBondContact NE2-ND2 3.31Å
181P79.6Confident80.5Confident129 Ų12983.9 Ų83.984%0.83842%0.419SS*.THydrogen-bonded Turntrans-56.6115.6172.9-20.532000110.4
182G73.4Confident79.6Confident37 Ų3782.7 Ų82.738%0.38141%0.414SS..THydrogen-bonded Turntrans113.9-25.6-174.600000114.3Q180 T184 D185Q180-G182 PolarHBondContact O-N 2.76Å; Q180-G182 VanDerWaalsContact O-N 3.09Å; G182-T184 PolarHBondContact O-N 3.15Å; G182-D185 PolarHBondContact O-N 3.35Å; G182-D185 VanDerWaalsContact O-N 3.16Å
183D71.9Confident79Confident17 Ų1780 Ų809%0.09141%0.406CS..Hα-helixtrans-67.2-24.2171.2-67.8-36.8000111.4P179 Q180 D185 K186 E187P179-D183 HydrophobicContact CB-CB 4.32Å; Q180-D183 PolarHBondContact N-OD2 2.96Å; Q180-D183 WeakPolarHBondContact O-CB 3.37Å; Q180-D183 PolarHBondContact O-N 3.22Å; D183-D185 PolarHBondContact O-N 2.99Å; D183-K186 WeakPolarHBondContact O-CA 3.5Å; D183-K186 VanDerWaalsContact O-CB 3.29Å; D183-K186 WeakPolarHBondContact O-CB 3.18Å; D183-K186 PolarHBondContact O-N 3.16Å; D183-K186 WeakPolarHBondContact OD1-CE 3.29Å; D183-K186 IonicContact OD1-NZ 2.63Å; D183-K186 PolarHBondContact OD1-NZ 3.34Å; D183-E187 PolarHBondContact O-N 3.07Å
184T61.3Low78.3Confident81 Ų8181.9 Ų81.950%0.49742%0.418SS..Hα-helixtrans-60.8-29.4172.552.10000113.1G182 E187 K188G182-T184 PolarHBondContact O-N 3.15Å; T184-E187 WeakPolarHBondContact O-CB 3.38Å; T184-E187 PolarHBondContact O-N 3.44Å; T184-K188 WeakPolarHBondContact O-CG 3.07Å; T184-K188 PolarHBondContact O-N 3.28Å; T184-K188 VanDerWaalsContact O-N 3.13Å
185D62.7Low77.7Confident78 Ų7885.8 Ų85.842%0.41743%0.434SS..Hα-helixtrans-78.2-23174.3-70.3-27.4000112.3G182 D183 K188 K189G182-D185 PolarHBondContact O-N 3.35Å; G182-D185 VanDerWaalsContact O-N 3.16Å; D183-D185 PolarHBondContact O-N 2.99Å; D185-K188 IonicContact OD1-NZ 3.81Å; D185-K188 PolarHBondContact OD1-NZ 3.12Å; D185-K189 WeakPolarHBondContact O-CG 3.41Å
186K64.6Low77.2Confident90 Ų9078.8 Ų78.839%0.39141%0.409SS..Hα-helixtrans-70.5-41.3167.4-58176-177159.90110.3D183 K188 K189 K190D183-K186 WeakPolarHBondContact O-CA 3.5Å; D183-K186 VanDerWaalsContact O-CB 3.29Å; D183-K186 WeakPolarHBondContact O-CB 3.18Å; D183-K186 PolarHBondContact O-N 3.16Å; D183-K186 WeakPolarHBondContact OD1-CE 3.29Å; D183-K186 IonicContact OD1-NZ 2.63Å; D183-K186 PolarHBondContact OD1-NZ 3.34Å; K186-K188 VanDerWaalsContact C-N 3.35Å; K186-K188 PolarHBondContact O-N 2.79Å; K186-K189 PolarHBondContact O-N 3.28Å; K186-K190 PolarHBondContact O-N 3.13Å
187E60.7Low76.9Confident89 Ų8979 Ų7942%0.41641%0.407SS..Hα-helixtrans-57.1-43.5174.4-71.8-101.114000112.2D183 T184 K189 K190D183-E187 PolarHBondContact O-N 3.07Å; T184-E187 WeakPolarHBondContact O-CB 3.38Å; T184-E187 PolarHBondContact O-N 3.44Å; E187-K189 PolarHBondContact O-N 3.07Å; E187-K190 VanDerWaalsContact O-CB 3.3Å; E187-K190 WeakPolarHBondContact O-CB 3.35Å; E187-K190 WeakPolarHBondContact O-CD 3.49Å; E187-K190 WeakPolarHBondContact O-CG 3.27Å; E187-K190 PolarHBondContact O-N 3.49Å; E187-K190 VanDerWaalsContact O-N 3.16Å; E187-K190 WeakPolarHBondContact OE1-CE 3.39Å; E187-K190 IonicContact OE1-NZ 2.81Å; E187-K190 PolarHBondContact OE1-NZ 3.04Å; E187-K190 IonicContact OE2-NZ 3.23Å; E187-K190 PolarHBondContact OE2-NZ 2.94Å
188K59Low76.4Confident160 Ų16081.1 Ų81.170%0.69642%0.417SS*.THydrogen-bonded Turntrans-63.9-19.3175.8-68.9173.5-166.5156.30114T184 D185 K186T184-K188 WeakPolarHBondContact O-CG 3.07Å; T184-K188 PolarHBondContact O-N 3.28Å; T184-K188 VanDerWaalsContact O-N 3.13Å; D185-K188 IonicContact OD1-NZ 3.81Å; D185-K188 PolarHBondContact OD1-NZ 3.12Å; K186-K188 VanDerWaalsContact C-N 3.35Å; K186-K188 PolarHBondContact O-N 2.79Å
189K64.9Low76.1Confident127 Ų12781.7 Ų81.755%0.55242%0.419SS*.THydrogen-bonded Turntrans-965.8179.2-67.7172.1-173.7170.30112.9D185 K186 E187 R192D185-K189 WeakPolarHBondContact O-CG 3.41Å; K186-K189 PolarHBondContact O-N 3.28Å; E187-K189 PolarHBondContact O-N 3.07Å; K189-R192 WeakPolarHBondContact O-CB 3.36Å; K189-R192 PolarHBondContact O-N 2.65Å
190K66.5Low75.9Confident112 Ų11278.6 Ų78.649%0.48740%0.398SS..THydrogen-bonded Turntrans-51.4139.9174.2-80.7174.4176.7171.60111.2K186 E187 E198K186-K190 PolarHBondContact O-N 3.13Å; E187-K190 VanDerWaalsContact O-CB 3.3Å; E187-K190 WeakPolarHBondContact O-CB 3.35Å; E187-K190 WeakPolarHBondContact O-CD 3.49Å; E187-K190 WeakPolarHBondContact O-CG 3.27Å; E187-K190 PolarHBondContact O-N 3.49Å; E187-K190 VanDerWaalsContact O-N 3.16Å; E187-K190 WeakPolarHBondContact OE1-CE 3.39Å; E187-K190 IonicContact OE1-NZ 2.81Å; E187-K190 PolarHBondContact OE1-NZ 3.04Å; E187-K190 IonicContact OE2-NZ 3.23Å; E187-K190 PolarHBondContact OE2-NZ 2.94Å; K190-E198 WeakPolarHBondContact CA-OE1 3.42Å
191G73.6Confident75.9Confident69 Ų6976.1 Ų76.171%0.71139%0.386SS*.THydrogen-bonded Turntrans87.3-8.3-176.600000115.2E198G191-E198 PolarHBondContact N-OE1 2.97Å
192R79Confident76.2Confident208 Ų20871.2 Ų71.279%0.78536%0.355SS*.SBendtrans-86.1-20175.2-68.6-172.4174.6-168.4-0.3113.4K189K189-R192 WeakPolarHBondContact O-CB 3.36Å; K189-R192 PolarHBondContact O-N 2.65Å
193K84.2Confident76.8Confident64 Ų6469.7 Ų69.728%0.27834%0.339SS..SBendtrans-115.9159.4-177.3-68.3-67.5-161.9171.80109.8Y197 E198 R563 R564K193-Y197 HydrophobicContact CB-CD1 3.64Å; K193-Y197 HydrophobicContact CB-CE1 4.33Å; K193-Y197 HydrophobicContact CB-CG 4.23Å; K193-Y197 HydrophobicContact CD-CD1 4.2Å; K193-Y197 HydrophobicContact CD-CE1 4.27Å; K193-Y197 HydrophobicContact CG-CD1 3.71Å; K193-Y197 HydrophobicContact CG-CE1 3.89Å; K193-Y197 HydrophobicContact CG-CG 4.49Å; K193-E198 HydrophobicContact CB-CG 4.13Å; K193-R563 PolarHBondContact NZ-O 3.41Å; K193-R564 HydrophobicContact CD-CB 4.46Å; K193-R564 VanDerWaalsContact NZ-C 3.35Å; K193-R564 PolarHBondContact NZ-O 2.96Å
194P84.4Confident77.9Confident38 Ų3869.2 Ų69.225%0.24734%0.336CS..  trans-56.2153.7169.8-27.137.5000112.7D196 Y197 E198 E587P194-D196 WeakPolarHBondContact CB-OD1 3.39Å; P194-D196 PolarHBondContact O-N 3.05Å; P194-Y197 WeakPolarHBondContact O-CB 3.11Å; P194-Y197 PolarHBondContact O-N 3.18Å; P194-E198 PolarHBondContact O-N 2.95Å; P194-E198 VanDerWaalsContact O-N 3.09Å; P194-E587 WeakPolarHBondContact CG-OE2 3.3Å
195K84Confident79.3Confident142 Ų14267.7 Ų67.762%0.61733%0.329SS*.Hα-helixtrans-62.6-39.2-175.9-70.2-174.4171.3-1750113.9E91 E198 E199E91-K195 VanDerWaalsContact OE1-CD 3.23Å; E91-K195 WeakPolarHBondContact OE1-CD 3.47Å; E91-K195 IonicContact OE1-NZ 3.36Å; E91-K195 PolarHBondContact OE1-NZ 2.8Å; K195-E198 PolarHBondContact O-N 2.64Å; K195-E199 PolarHBondContact O-N 3.32Å
196D86Confident80.8Confident18 Ų1867.2 Ų67.210%0.09633%0.327CS..Hα-helixtrans-62.4-44.5176.559.6-27.5000111.4P90 P194 E198 E199 W200 W583P90-D196 HydrophobicContact CG-CB 3.98Å; P194-D196 WeakPolarHBondContact CB-OD1 3.39Å; P194-D196 PolarHBondContact O-N 3.05Å; D196-E198 VanDerWaalsContact C-N 3.34Å; D196-E198 PolarHBondContact O-N 2.87Å; D196-E199 WeakPolarHBondContact O-CB 3.38Å; D196-E199 PolarHBondContact O-N 3.35Å; D196-W200 HydrophobicContact CB-CH2 4.06Å; D196-W200 HydrophobicContact CB-CZ2 4.18Å; D196-W200 HydrophobicContact CB-CZ3 4.29Å; D196-W200 VanDerWaalsContact O-CD2 3.28Å; D196-W200 PolarHBondContact O-N 3.09Å; D196-W583 PolarHBondContact OD2-NE1 2.89Å
197Y88.4Confident82.3Confident42 Ų4265.9 Ų65.917%0.16532%0.324CS..Hα-helixtrans-60-44173.5-177.3-82.4000111.9K193 P194 E199 W200 F201 F562 R564K193-Y197 HydrophobicContact CB-CD1 3.64Å; K193-Y197 HydrophobicContact CB-CE1 4.33Å; K193-Y197 HydrophobicContact CB-CG 4.23Å; K193-Y197 HydrophobicContact CD-CD1 4.2Å; K193-Y197 HydrophobicContact CD-CE1 4.27Å; K193-Y197 HydrophobicContact CG-CD1 3.71Å; K193-Y197 HydrophobicContact CG-CE1 3.89Å; K193-Y197 HydrophobicContact CG-CG 4.49Å; P194-Y197 WeakPolarHBondContact O-CB 3.11Å; P194-Y197 PolarHBondContact O-N 3.18Å; Y197-E199 VanDerWaalsContact C-N 3.32Å; Y197-E199 PolarHBondContact O-N 2.68Å; Y197-W200 PolarHBondContact O-N 3.22Å; Y197-F201 HydrophobicContact CD1-CD2 4.13Å; Y197-F201 AromaticContact CD2-CD2 3.55Å; Y197-F201 HydrophobicContact CD2-CD2 3.55Å; Y197-F201 AromaticContact CD2-CE2 3.71Å; Y197-F201 HydrophobicContact CD2-CE2 3.71Å; Y197-F201 HydrophobicContact CE1-CB 4.24Å; Y197-F201 HydrophobicContact CE1-CD2 4.01Å; Y197-F201 HydrophobicContact CE1-CG 4.49Å; Y197-F201 AromaticContact CE2-CD2 3.44Å; Y197-F201 HydrophobicContact CE2-CD2 3.44Å; Y197-F201 VanDerWaalsContact CE2-CD2 3.44Å; Y197-F201 AromaticContact CE2-CE2 3.63Å; Y197-F201 HydrophobicContact CE2-CE2 3.63Å; Y197-F201 HydrophobicContact CE2-CG 4.4Å; Y197-F201 AromaticContact CG-CD2 3.91Å; Y197-F201 HydrophobicContact CG-CD2 3.91Å; Y197-F201 HydrophobicContact CG-CE2 4.45Å; Y197-F201 AromaticContact CZ-CD2 3.67Å; Y197-F201 WeakPolarHBondContact O-CD2 3.37Å; Y197-F201 PolarHBondContact O-N 3.43Å; Y197-F562 PolarHBondContact OH-O 2.99Å; Y197-R564 HydrophobicContact CD2-CB 3.44Å; Y197-R564 VanDerWaalsContact CD2-CB 3.44Å; Y197-R564 HydrophobicContact CD2-CG 3.97Å; Y197-R564 HydrophobicContact CE2-CB 3.5Å; Y197-R564 HydrophobicContact CE2-CG 4.5Å; Y197-R564 HydrophobicContact CG-CB 4.26Å; Y197-R564 HydrophobicContact CG-CG 4.47Å
198E87.8Confident84Confident49 Ų4965.3 Ų65.323%0.22932%0.323CS..Hα-helixtrans-64.6-37.7177.3-69.4-174.9174.900111.9K190 G191 K193 P194 K195 D196 S202K190-E198 WeakPolarHBondContact CA-OE1 3.42Å; G191-E198 PolarHBondContact N-OE1 2.97Å; K193-E198 HydrophobicContact CB-CG 4.13Å; P194-E198 PolarHBondContact O-N 2.95Å; P194-E198 VanDerWaalsContact O-N 3.09Å; K195-E198 PolarHBondContact O-N 2.64Å; D196-E198 VanDerWaalsContact C-N 3.34Å; D196-E198 PolarHBondContact O-N 2.87Å; E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 2.96Å; E198-S202 PolarHBondContact O-OG 3.36Å
199E86.3Confident85.8Confident16 Ų1658.1 Ų58.18%0.07529%0.292CS..Hα-helixtrans-61-48.6176-169.3-155.7177.700112.1R88 P90 R152 K195 D196 Y197 S202R88-E199 IonicContact CZ-OE1 3.76Å; R88-E199 IonicContact NH2-OE1 3.48Å; R88-E199 PolarHBondContact NH2-OE1 3.43Å; P90-E199 WeakPolarHBondContact CA-OE2 3.33Å; P90-E199 HydrophobicContact CB-CB 3.89Å; P90-E199 HydrophobicContact CB-CG 4.02Å; P90-E199 VanDerWaalsContact CB-OE2 3.24Å; P90-E199 WeakPolarHBondContact CB-OE2 3.42Å; P90-E199 HydrophobicContact CG-CB 4.38Å; P90-E199 WeakPolarHBondContact CG-OE2 3.45Å; R152-E199 IonicContact NH1-OE1 3.68Å; R152-E199 PolarHBondContact NH2-O 3.27Å; R152-E199 VanDerWaalsContact NH2-O 3.12Å; K195-E199 PolarHBondContact O-N 3.32Å; D196-E199 WeakPolarHBondContact O-CB 3.38Å; D196-E199 PolarHBondContact O-N 3.35Å; Y197-E199 VanDerWaalsContact C-N 3.32Å; Y197-E199 PolarHBondContact O-N 2.68Å; E199-S202 PolarHBondContact O-OG 3.42Å
200W87.1Confident87.3Confident8 Ų855.7 Ų55.73%0.0328%0.28CS..Hα-helixtrans-71.7-35.5-175.5-62.7-32.6000113.5D196 Y197 E269 M270 F561 F581 W583D196-W200 HydrophobicContact CB-CH2 4.06Å; D196-W200 HydrophobicContact CB-CZ2 4.18Å; D196-W200 HydrophobicContact CB-CZ3 4.29Å; D196-W200 VanDerWaalsContact O-CD2 3.28Å; D196-W200 PolarHBondContact O-N 3.09Å; Y197-W200 PolarHBondContact O-N 3.22Å; W200-E269 HydrophobicContact CZ2-CG 3.85Å; W200-M270 HydrophobicContact CB-CE 4.46Å; W200-M270 HydrophobicContact CB-SD 4.26Å; W200-M270 HydrophobicContact CG-SD 4.49Å; W200-F561 AromaticContact CD2-CE2 3.92Å; W200-F561 HydrophobicContact CD2-CE2 3.92Å; W200-F561 AromaticContact CD2-CZ 3.98Å; W200-F561 HydrophobicContact CD2-CZ 3.98Å; W200-F561 HydrophobicContact CE3-CD2 4.12Å; W200-F561 AromaticContact CE3-CE2 3.31Å; W200-F561 HydrophobicContact CE3-CE2 3.31Å; W200-F561 AromaticContact CE3-CZ 3.68Å; W200-F561 HydrophobicContact CE3-CZ 3.68Å; W200-F561 HydrophobicContact CG-CZ 4.5Å; W200-F561 HydrophobicContact CH2-CD2 4.38Å; W200-F561 AromaticContact CH2-CE2 3.72Å; W200-F561 HydrophobicContact CH2-CE2 3.72Å; W200-F561 HydrophobicContact CZ2-CE2 4.26Å; W200-F561 AromaticContact CZ3-CD2 3.75Å; W200-F561 HydrophobicContact CZ3-CD2 3.75Å; W200-F561 AromaticContact CZ3-CE2 3.21Å; W200-F561 HydrophobicContact CZ3-CE2 3.21Å; W200-F561 HydrophobicContact CZ3-CZ 4.07Å; W200-F581 AromaticContact CH2-CD1 3.85Å; W200-F581 HydrophobicContact CH2-CD1 3.85Å; W200-F581 AromaticContact CH2-CE1 3.5Å; W200-F581 HydrophobicContact CH2-CE1 3.5Å; W200-F581 VanDerWaalsContact CH2-CE1 3.5Å; W200-F581 HydrophobicContact CH2-CZ 4.24Å; W200-F581 HydrophobicContact CZ2-CD1 4.48Å; W200-F581 AromaticContact CZ2-CE1 3.87Å; W200-F581 HydrophobicContact CZ2-CE1 3.87Å; W200-F581 HydrophobicContact CZ3-CE1 4.36Å; W200-W583 HydrophobicContact CH2-CZ2 4.26Å
201F88.5Confident88.7Confident25 Ų2550.6 Ų50.611%0.1126%0.257CS..Hα-helixtrans-112.74.7-170.8-61.3-66.2000114.9Y197 M270 F561 F562Y197-F201 HydrophobicContact CD1-CD2 4.13Å; Y197-F201 AromaticContact CD2-CD2 3.55Å; Y197-F201 HydrophobicContact CD2-CD2 3.55Å; Y197-F201 AromaticContact CD2-CE2 3.71Å; Y197-F201 HydrophobicContact CD2-CE2 3.71Å; Y197-F201 HydrophobicContact CE1-CB 4.24Å; Y197-F201 HydrophobicContact CE1-CD2 4.01Å; Y197-F201 HydrophobicContact CE1-CG 4.49Å; Y197-F201 AromaticContact CE2-CD2 3.44Å; Y197-F201 HydrophobicContact CE2-CD2 3.44Å; Y197-F201 VanDerWaalsContact CE2-CD2 3.44Å; Y197-F201 AromaticContact CE2-CE2 3.63Å; Y197-F201 HydrophobicContact CE2-CE2 3.63Å; Y197-F201 HydrophobicContact CE2-CG 4.4Å; Y197-F201 AromaticContact CG-CD2 3.91Å; Y197-F201 HydrophobicContact CG-CD2 3.91Å; Y197-F201 HydrophobicContact CG-CE2 4.45Å; Y197-F201 AromaticContact CZ-CD2 3.67Å; Y197-F201 WeakPolarHBondContact O-CD2 3.37Å; Y197-F201 PolarHBondContact O-N 3.43Å; F201-M270 HydrophobicContact CE1-CE 4.38Å; F201-F561 HydrophobicContact CE1-CE1 4.38Å; F201-F561 HydrophobicContact CE2-CD1 4.43Å; F201-F561 HydrophobicContact CE2-CE1 4.19Å; F201-F561 HydrophobicContact CE2-CZ 4.49Å; F201-F561 WeakPolarHBondContact CE2-O 3.49Å; F201-F561 AromaticContact CZ-CD1 3.81Å; F201-F561 HydrophobicContact CZ-CD1 3.81Å; F201-F561 AromaticContact CZ-CE1 3.49Å; F201-F561 HydrophobicContact CZ-CE1 3.49Å; F201-F561 VanDerWaalsContact CZ-CE1 3.49Å; F201-F561 HydrophobicContact CZ-CZ 4.15Å; F201-F562 AromaticContact CE1-CD1 3.51Å; F201-F562 HydrophobicContact CE1-CD1 3.51Å; F201-F562 AromaticContact CE1-CE1 3.94Å; F201-F562 HydrophobicContact CE1-CE1 3.94Å; F201-F562 AromaticContact CZ-CD1 3.52Å; F201-F562 HydrophobicContact CZ-CD1 3.52Å; F201-F562 HydrophobicContact CZ-CE1 4.07Å; F201-F562 HydrophobicContact CZ-CG 4.37Å
202S84.9Confident89.8Confident25 Ų2547.3 Ų47.318%0.17522%0.224CC..SBendtrans-75.6153.5168.154.60000111.7R152 E198 E199R152-S202 PolarHBondContact NH2-OG 3.37Å; E198-S202 WeakPolarHBondContact O-CB 3.28Å; E198-S202 PolarHBondContact O-N 2.96Å; E198-S202 PolarHBondContact O-OG 3.36Å; E199-S202 PolarHBondContact O-OG 3.42Å
203G87.8Confident90.7Very high5 Ų537.4 Ų37.45%0.05219%0.187CC..SBendtrans61.7-148.418000000112.9S205G203-S205 PolarHBondContact O-N 3.01Å
204N93.2Very high91.4Very high7 Ų734.9 Ų34.94%0.03718%0.178CC..  trans-82.898.3-173-168.1-20.5000111.8K147 E148 D176 F177 G178 Q180 N206K147-N204 HydrophobicContact CB-CB 4.05Å; E148-N204 WeakPolarHBondContact CB-O 3.49Å; E148-N204 PolarHBondContact N-O 3.13Å; D176-N204 PolarHBondContact O-ND2 2.87Å; F177-N204 VanDerWaalsContact O-CB 3.29Å; F177-N204 WeakPolarHBondContact O-CB 3.5Å; G178-N204 WeakPolarHBondContact O-CB 3.37Å; G178-N204 PolarHBondContact O-ND2 3.37Å; G178-N204 VanDerWaalsContact O-ND2 3.16Å; Q180-N204 PolarHBondContact NE2-ND2 3.31Å; N204-N206 VanDerWaalsContact C-N 3.26Å; N204-N206 PolarHBondContact O-N 2.97Å; N204-N206 WeakPolarHBondContact OD1-CB 3.48Å; N204-N206 PolarHBondContact OD1-N 3.47Å
205S91.2Very high91.9Very high49 Ų4933.3 Ų33.334%0.34317%0.167SC..  trans-85.213.5-178.170.40000114.3G203G203-S205 PolarHBondContact O-N 3.01Å
206N94.3Very high92.4Very high69 Ų6929.1 Ų29.137%0.36916%0.155SC..  trans-66.7134.2176-173.6-49.6000110T146 K147 N204 N208T146-N206 CarbonylContact C-O 3.58Å; T146-N206 WeakPolarHBondContact CA-O 3.48Å; K147-N206 HydrophobicContact CD-CB 3.99Å; K147-N206 HydrophobicContact CG-CB 4.22Å; K147-N206 WeakPolarHBondContact CG-O 3.36Å; K147-N206 PolarHBondContact N-O 2.98Å; N204-N206 VanDerWaalsContact C-N 3.26Å; N204-N206 PolarHBondContact O-N 2.97Å; N204-N206 WeakPolarHBondContact OD1-CB 3.48Å; N204-N206 PolarHBondContact OD1-N 3.47Å; N206-N208 PolarHBondContact OD1-N 3.29Å; N206-N208 PolarHBondContact OD1-O 3.3Å
207D95.7Very high92.7Very high61 Ų6135.6 Ų35.633%0.32618%0.183SC..  trans-106.56.8-174.262.5-12.6000113.6P145 S235 Q274P145-D207 WeakPolarHBondContact O-CA 3.4Å; P145-D207 WeakPolarHBondContact O-CB 3.36Å; D207-S235 WeakPolarHBondContact O-CB 3.28Å; D207-S235 PolarHBondContact O-OG 3.11Å; D207-Q274 VanDerWaalsContact CB-NE2 3.35Å
208N96.2Very high92.9Very high77 Ų7741.1 Ų41.141%0.41221%0.208SC..  trans-109.3100.9174.7-173.23.7000110.7K147 N206 L237K147-N208 WeakPolarHBondContact CE-O 3.36Å; N206-N208 PolarHBondContact OD1-N 3.29Å; N206-N208 PolarHBondContact OD1-O 3.3Å; N208-L237 HydrophobicContact CB-CD2 4.06Å
209F97.4Very high93.3Very high9 Ų940.6 Ų40.64%0.03921%0.209CC..  trans-160.1154.3173.866.9-85.8000112.3A144 T146 K147 A150 F177 L233 A234 S235A144-F209 HydrophobicContact CB-CZ 4.19Å; A144-F209 VanDerWaalsContact O-CZ 3.32Å; A144-F209 WeakPolarHBondContact O-CZ 3.34Å; T146-F209 WeakPolarHBondContact O-CE1 3.4Å; K147-F209 HydrophobicContact CG-CB 4.04Å; K147-F209 HydrophobicContact CG-CD1 3.67Å; K147-F209 HydrophobicContact CG-CE1 4.44Å; K147-F209 HydrophobicContact CG-CG 4.01Å; A150-F209 HydrophobicContact CB-CD2 4.17Å; A150-F209 HydrophobicContact CB-CE1 4.45Å; A150-F209 HydrophobicContact CB-CE2 3.47Å; A150-F209 VanDerWaalsContact CB-CE2 3.47Å; A150-F209 HydrophobicContact CB-CZ 3.64Å; F177-F209 HydrophobicContact CE1-CB 3.93Å; F177-F209 HydrophobicContact CE1-CD1 4.48Å; F177-F209 AromaticContact CE1-CD2 3.65Å; F177-F209 HydrophobicContact CE1-CD2 3.65Å; F177-F209 HydrophobicContact CE1-CE2 4.32Å; F177-F209 AromaticContact CE1-CG 3.75Å; F177-F209 HydrophobicContact CE1-CG 3.75Å; F177-F209 HydrophobicContact CZ-CB 3.81Å; F177-F209 AromaticContact CZ-CD2 3.95Å; F177-F209 HydrophobicContact CZ-CD2 3.95Å; F177-F209 HydrophobicContact CZ-CG 4.07Å; F209-L233 HydrophobicContact CE2-CG 4.33Å; F209-A234 VanDerWaalsContact CE2-C 3.46Å; F209-S235 VanDerWaalsContact CE1-CB 3.5Å; F209-S235 PolarHBondContact N-OG 3.18Å; F209-S235 PolarHBondContact O-N 3.23Å; F209-S235 PolarHBondContact O-OG 3.28Å
210R95.8Very high93.8Very high77 Ų7739.9 Ų39.929%0.29121%0.206SC..EExtended strand (participates in β ladder)trans-151.2131.4169.655.7-177.8-176.9-91.67.3108.9F226 A234 G238 V242 E248R210-F226 HydrophobicContact CB-CZ 4.03Å; R210-F226 HydrophobicContact CG-CZ 3.89Å; R210-A234 HydrophobicContact CB-CB 4Å; R210-G238 PolarHBondContact NH1-O 2.76Å; R210-V242 VanDerWaalsContact NE-CG2 3.3Å; R210-E248 IonicContact CZ-OE1 2.85Å; R210-E248 IonicContact NE-OE1 3.67Å; R210-E248 IonicContact NH2-OE1 3.65Å; R210-E248 PolarHBondContact NH2-OE1 3.27Å; R210-E248 IonicContact NH2-OE2 2.77Å
211I96.6Very high94.3Very high4 Ų443.9 Ų43.92%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-137.8137.9175.865.1173.8000110.9V154 F173 F177 M213 Y223 L233V154-I211 HydrophobicContact CG2-CD1 4.07Å; F173-I211 HydrophobicContact CD2-CD1 4.33Å; F173-I211 HydrophobicContact CE2-CD1 3.85Å; F177-I211 HydrophobicContact CE2-CG2 3.76Å; F177-I211 HydrophobicContact CZ-CD1 4.39Å; F177-I211 HydrophobicContact CZ-CG2 3.63Å; I211-M213 HydrophobicContact CD1-CG 4.45Å; I211-M213 HydrophobicContact CD1-SD 4.48Å; I211-Y223 HydrophobicContact CG2-CD1 4.04Å; I211-Y223 HydrophobicContact CG2-CE1 3.8Å; I211-L233 HydrophobicContact CD1-CB 4.37Å; I211-L233 HydrophobicContact CD1-CD2 4.06Å; I211-L233 HydrophobicContact CG1-CB 3.84Å; I211-L233 HydrophobicContact CG1-CD2 4.38Å; I211-L233 HydrophobicContact CG1-CG 4.31Å; I211-L233 WeakPolarHBondContact CG1-O 3.46Å; I211-L233 PolarHBondContact N-O 3.25Å; I211-L233 PolarHBondContact O-N 2.95Å
212G97.4Very high94.8Very high1 Ų142.7 Ų42.71%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-88140.1166.100000111Y223 S224 S229G212-Y223 WeakPolarHBondContact O-CA 3.39Å; G212-Y223 PolarHBondContact O-N 3.38Å; G212-S224 WeakPolarHBondContact CA-O 3.47Å; G212-S224 PolarHBondContact O-N 3.39Å; G212-S224 PolarHBondContact O-OG 3.11Å; G212-S229 WeakPolarHBondContact CA-OG 3.43Å
213M98.1Very high95.3Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-125133.5174.2-64.8179.766.300110.1V154 F157 I211 F215 V220 K221 L222 S224 D230 L231V154-M213 HydrophobicContact CG2-CE 4.35Å; V154-M213 HydrophobicContact CG2-SD 4Å; F157-M213 HydrophobicContact CB-CE 4.36Å; F157-M213 HydrophobicContact CD2-CE 3.92Å; F157-M213 HydrophobicContact CD2-SD 4.41Å; F157-M213 HydrophobicContact CG-CE 4.31Å; I211-M213 HydrophobicContact CD1-CG 4.45Å; I211-M213 HydrophobicContact CD1-SD 4.48Å; M213-F215 HydrophobicContact CB-CE2 4.46Å; M213-F215 HydrophobicContact CB-CZ 4.27Å; M213-F215 HydrophobicContact CE-CE1 3.7Å; M213-F215 HydrophobicContact CE-CZ 3.64Å; M213-F215 HydrophobicContact SD-CZ 4.49Å; M213-V220 HydrophobicContact CE-CG1 4.02Å; M213-K221 WeakPolarHBondContact CA-O 3.4Å; M213-L222 HydrophobicContact CE-CD2 3.71Å; M213-L222 HydrophobicContact CG-CD2 4.09Å; M213-L222 HydrophobicContact SD-CD2 4.29Å; M213-S224 VanDerWaalsContact C-OG 3.26Å; M213-S224 WeakPolarHBondContact CA-OG 3.27Å; M213-S224 PolarHBondContact N-OG 2.89Å; M213-D230 PolarHBondContact O-N 3.11Å; M213-L231 HydrophobicContact CB-CB 4.4Å; M213-L231 HydrophobicContact CB-CD2 4.3Å; M213-L231 HydrophobicContact CG-CD2 4.4Å; M213-L231 PolarHBondContact N-O 2.92Å; M213-L231 PolarHBondContact O-N 3.44Å; M213-L231 HydrophobicContact SD-CD2 3.94Å
214A97.6Very high95.8Very high11 Ų1143.6 Ų43.69%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-118.1134.1169.400000110.1K221 S224 D230A214-K221 HydrophobicContact CB-CB 4.3Å; A214-K221 PolarHBondContact N-O 3.26Å; A214-K221 PolarHBondContact O-N 2.96Å; A214-S224 PolarHBondContact N-OG 3.33Å; A214-D230 VanDerWaalsContact CA-OD2 3.24Å; A214-D230 WeakPolarHBondContact CA-OD2 3.31Å
215F96.6Very high95.8Very high5 Ų546.1 Ų46.12%0.02224%0.24CC..EExtended strand (participates in β ladder)trans-106.7149.6-178-60.5-70.3000110.5L104 Q111 F157 M213 V220 D230 L231L104-F215 HydrophobicContact CD1-CB 3.91Å; L104-F215 HydrophobicContact CD1-CD1 3.35Å; L104-F215 HydrophobicContact CD1-CD2 3.87Å; L104-F215 HydrophobicContact CD1-CE1 3.72Å; L104-F215 HydrophobicContact CD1-CE2 4.19Å; L104-F215 HydrophobicContact CD1-CG 3.43Å; L104-F215 VanDerWaalsContact CD1-CG 3.43Å; L104-F215 HydrophobicContact CD1-CZ 4.12Å; Q111-F215 PolarHBondContact NE2-O 3.44Å; Q111-F215 PolarHBondContact OE1-O 3.17Å; F157-F215 HydrophobicContact CB-CE1 4.39Å; F157-F215 HydrophobicContact CD1-CE1 4.19Å; F157-F215 AromaticContact CD1-CZ 3.92Å; F157-F215 HydrophobicContact CD1-CZ 3.92Å; F157-F215 HydrophobicContact CD2-CZ 4.4Å; F157-F215 HydrophobicContact CE1-CZ 4.03Å; F157-F215 HydrophobicContact CG-CE1 4.27Å; F157-F215 HydrophobicContact CG-CZ 4.12Å; F157-F215 HydrophobicContact CZ-CZ 4.34Å; M213-F215 HydrophobicContact CB-CE2 4.46Å; M213-F215 HydrophobicContact CB-CZ 4.27Å; M213-F215 HydrophobicContact CE-CE1 3.7Å; M213-F215 HydrophobicContact CE-CZ 3.64Å; M213-F215 HydrophobicContact SD-CZ 4.49Å; F215-V220 HydrophobicContact CD1-CG1 4.05Å; F215-V220 HydrophobicContact CD1-CG2 4.06Å; F215-V220 HydrophobicContact CE1-CG1 3.96Å; F215-V220 HydrophobicContact CE1-CG2 4.41Å; F215-D230 HydrophobicContact CD2-CB 4.31Å; F215-D230 PolarHBondContact N-OD2 3.18Å; F215-L231 HydrophobicContact CE2-CB 3.76Å; F215-L231 HydrophobicContact CE2-CD1 4.03Å; F215-L231 HydrophobicContact CE2-CG 4.46Å; F215-L231 HydrophobicContact CZ-CD1 4.38Å
216S93.8Very high95.8Very high53 Ų5345.2 Ų45.237%0.37123%0.229SC..EExtended strand (participates in β ladder)trans-141168.5166.3-178.50000107.7M161 K218 S219M161-S216 WeakPolarHBondContact CE-O 3.46Å; S216-K218 PolarHBondContact O-N 3.06Å; S216-S219 WeakPolarHBondContact CB-OG 3.15Å; S216-S219 PolarHBondContact N-O 2.89Å; S216-S219 PolarHBondContact O-N 3.42Å
217K91.4Very high95.6Very high154 Ų15449.3 Ų49.367%0.6724%0.24SC*.THydrogen-bonded Turntrans-55.4-28.1-176.8-65.2-177.8-179.6177.60114.1
218K93.4Very high95.4Very high159 Ų15950 Ų5069%0.69124%0.243SC*.THydrogen-bonded Turntrans-135.412.8-178-63.7-173178.1-177.20113.8S165 T166 S216S165-K218 CarbonylContact C-O 3.58Å; S165-K218 WeakPolarHBondContact CA-O 3.45Å; S165-K218 WeakPolarHBondContact CB-O 3.25Å; T166-K218 PolarHBondContact N-O 3.47Å; S216-K218 PolarHBondContact O-N 3.06Å
219S95.5Very high95.4Very high38 Ų3846.3 Ų46.327%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-148150.1179.3660000112.7T166 S216T166-S219 CarbonylContact O-C 3.56Å; T166-S219 VanDerWaalsContact O-CA 3.23Å; T166-S219 WeakPolarHBondContact O-CA 3.23Å; T166-S219 WeakPolarHBondContact OG1-CB 3.46Å; S216-S219 WeakPolarHBondContact CB-OG 3.15Å; S216-S219 PolarHBondContact N-O 2.89Å; S216-S219 PolarHBondContact O-N 3.42Å
220V97.4Very high95.4Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-126.3120.7174.8-176.10000107.9L158 M161 T166 V167 S168 M213 F215 L222L158-V220 HydrophobicContact CD2-CB 4.17Å; L158-V220 HydrophobicContact CD2-CG1 4.27Å; L158-V220 HydrophobicContact CD2-CG2 4.16Å; M161-V220 HydrophobicContact CE-CG2 3.91Å; M161-V220 HydrophobicContact CG-CG2 3.63Å; M161-V220 HydrophobicContact SD-CG2 4.05Å; T166-V220 PolarHBondContact O-N 2.86Å; V167-V220 CarbonylContact C-O 3.6Å; V167-V220 VanDerWaalsContact CA-O 3.31Å; V167-V220 WeakPolarHBondContact CA-O 3.19Å; S168-V220 PolarHBondContact N-O 2.68Å; M213-V220 HydrophobicContact CE-CG1 4.02Å; F215-V220 HydrophobicContact CD1-CG1 4.05Å; F215-V220 HydrophobicContact CD1-CG2 4.06Å; F215-V220 HydrophobicContact CE1-CG1 3.96Å; F215-V220 HydrophobicContact CE1-CG2 4.41Å; V220-L222 HydrophobicContact CG1-CD2 3.99Å
221K98Very high95.5Very high93 Ų9342.6 Ų42.640%0.40421%0.21SC..EExtended strand (participates in β ladder)trans-99.3107.1174.6-174.8179.4180-177.20108.8M213 A214M213-K221 WeakPolarHBondContact CA-O 3.4Å; A214-K221 HydrophobicContact CB-CB 4.3Å; A214-K221 PolarHBondContact N-O 3.26Å; A214-K221 PolarHBondContact O-N 2.96Å
222L98Very high95.5Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-80.4150.2169.8-53.9177.4000109.7V154 V167 S168 H169 F173 M213 V220 S224V154-L222 HydrophobicContact CG1-CD1 4.22Å; V154-L222 HydrophobicContact CG1-CD2 3.95Å; V167-L222 HydrophobicContact CG1-CD1 3.81Å; V167-L222 HydrophobicContact CG1-CG 4.04Å; S168-L222 WeakPolarHBondContact O-CB 3.2Å; S168-L222 PolarHBondContact O-N 3.35Å; H169-L222 PolarHBondContact ND1-O 2.9Å; F173-L222 HydrophobicContact CB-CD1 3.76Å; F173-L222 HydrophobicContact CD1-CD1 4.3Å; F173-L222 HydrophobicContact CD2-CD1 4.34Å; F173-L222 HydrophobicContact CG-CD1 3.87Å; M213-L222 HydrophobicContact CE-CD2 3.71Å; M213-L222 HydrophobicContact CG-CD2 4.09Å; M213-L222 HydrophobicContact SD-CD2 4.29Å; V220-L222 HydrophobicContact CG1-CD2 3.99Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.31Å
223Y97.1Very high95.6Very high42 Ų4242.4 Ų42.417%0.16521%0.209CC..EExtended strand (participates in β ladder)trans57.239.3-175.6-55.8-93.6000112.7H169 R172 F173 D176 I211 G212H169-Y223 HydrophobicContact CB-CD2 3.87Å; R172-Y223 HydrophobicContact CB-CE2 4.33Å; R172-Y223 HydrophobicContact CG-CE2 3.98Å; F173-Y223 WeakPolarHBondContact CA-OH 3.44Å; F173-Y223 HydrophobicContact CB-CE2 3.93Å; F173-Y223 HydrophobicContact CD2-CE2 4.28Å; D176-Y223 WeakPolarHBondContact CB-OH 3.35Å; D176-Y223 PolarHBondContact OD2-OH 3.34Å; I211-Y223 HydrophobicContact CG2-CD1 4.04Å; I211-Y223 HydrophobicContact CG2-CE1 3.8Å; G212-Y223 WeakPolarHBondContact O-CA 3.39Å; G212-Y223 PolarHBondContact O-N 3.38Å
224S96.4Very high95.6Very high7 Ų742.4 Ų42.45%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-64.9146.4163.646.50000109.4G212 M213 A214 L222 S229G212-S224 WeakPolarHBondContact CA-O 3.47Å; G212-S224 PolarHBondContact O-N 3.39Å; G212-S224 PolarHBondContact O-OG 3.11Å; M213-S224 VanDerWaalsContact C-OG 3.26Å; M213-S224 WeakPolarHBondContact CA-OG 3.27Å; M213-S224 PolarHBondContact N-OG 2.89Å; A214-S224 PolarHBondContact N-OG 3.33Å; L222-S224 VanDerWaalsContact C-N 3.28Å; L222-S224 PolarHBondContact O-N 3.31Å; S224-S229 WeakPolarHBondContact CB-OG 3.49Å; S224-S229 PolarHBondContact O-OG 3Å; S224-S229 PolarHBondContact OG-OG 3.05Å
225A93.3Very high95.6Very high60 Ų6041.9 Ų41.950%0.49620%0.204SC..  trans-57.8145.7168.800000109.4R227 D228 S229A225-R227 PolarHBondContact O-N 3.21Å; A225-D228 CarbonylContact O-C 3.57Å; A225-D228 PolarHBondContact O-N 2.87Å; A225-S229 PolarHBondContact O-N 2.97Å; A225-S229 VanDerWaalsContact O-N 3.1Å; A225-S229 PolarHBondContact O-OG 2.93Å
226F92.6Very high95.6Very high29 Ų2941.9 Ų41.913%0.12721%0.205CC..G310 helixtrans-58.1-37-175.1-62.1-43.9000112.7R210 D228 S229 I232 I256R210-F226 HydrophobicContact CB-CZ 4.03Å; R210-F226 HydrophobicContact CG-CZ 3.89Å; F226-D228 PolarHBondContact O-N 3.21Å; F226-S229 PolarHBondContact O-N 3.25Å; F226-S229 VanDerWaalsContact O-N 3.17Å; F226-I232 HydrophobicContact CD1-CD1 4.4Å; F226-I232 HydrophobicContact CD1-CG1 4.14Å; F226-I232 HydrophobicContact CE1-CG2 4.3Å; F226-I256 HydrophobicContact CD2-CD1 4.13Å; F226-I256 HydrophobicContact CD2-CG1 4.25Å; F226-I256 HydrophobicContact CE2-CD1 4.12Å; F226-I256 HydrophobicContact CG-CG1 4.31Å
227R89.6Confident95.7Very high155 Ų15543 Ų4359%0.58521%0.207SC*.G310 helixtrans-51.5-38.2171.8-177.2179179.6-179.62114.2R137 A225 Y255R137-R227 WeakPolarHBondContact CB-O 3.41Å; A225-R227 PolarHBondContact O-N 3.21Å; R227-Y255 HydrophobicContact CB-CD1 4.31Å; R227-Y255 HydrophobicContact CB-CD2 4.34Å; R227-Y255 HydrophobicContact CB-CE1 4.12Å; R227-Y255 HydrophobicContact CB-CE2 4.21Å; R227-Y255 HydrophobicContact CB-CG 4.47Å; R227-Y255 HydrophobicContact CG-CE1 3.99Å
228D92.2Very high95.9Very high75 Ų7535.7 Ų35.740%0.40118%0.175SC..G310 helixtrans-103.74.5-175.1-61.6-38.1000113.2R137 A225 F226R137-D228 WeakPolarHBondContact CD-O 3.37Å; R137-D228 VanDerWaalsContact CZ-O 3.23Å; R137-D228 PolarHBondContact NE-O 3.48Å; R137-D228 PolarHBondContact NH1-O 2.75Å; A225-D228 CarbonylContact O-C 3.57Å; A225-D228 PolarHBondContact O-N 2.87Å; F226-D228 PolarHBondContact O-N 3.21Å
229S95.6Very high95.9Very high0 Ų028.2 Ų28.20%014%0.142CC..  trans-85.4141.6-177.1-59.90000110.6R137 A138 G212 S224 A225 F226R137-S229 CarbonylContact C-O 3.57Å; R137-S229 WeakPolarHBondContact CG-O 3.39Å; A138-S229 WeakPolarHBondContact CA-O 3.34Å; A138-S229 WeakPolarHBondContact CB-O 3.45Å; A138-S229 PolarHBondContact N-O 3.31Å; G212-S229 WeakPolarHBondContact CA-OG 3.43Å; S224-S229 WeakPolarHBondContact CB-OG 3.49Å; S224-S229 PolarHBondContact O-OG 3Å; S224-S229 PolarHBondContact OG-OG 3.05Å; A225-S229 PolarHBondContact O-N 2.97Å; A225-S229 VanDerWaalsContact O-N 3.1Å; A225-S229 PolarHBondContact O-OG 2.93Å; F226-S229 PolarHBondContact O-N 3.25Å; F226-S229 VanDerWaalsContact O-N 3.17Å
230D96.7Very high95.8Very high9 Ų928.6 Ų28.65%0.04814%0.139CC..SBendtrans-86.9-33.6170.8-55.9-64.2000110.5Q111 R137 R139 T140 M213 A214 F215Q111-D230 VanDerWaalsContact NE2-CG 3.27Å; Q111-D230 PolarHBondContact NE2-OD1 2.83Å; Q111-D230 VanDerWaalsContact NE2-OD1 3.15Å; Q111-D230 PolarHBondContact NE2-OD2 3.07Å; R137-D230 IonicContact CZ-OD1 2.79Å; R137-D230 IonicContact CZ-OD2 3.99Å; R137-D230 IonicContact NE-OD1 3.92Å; R137-D230 PolarHBondContact NE-OD1 3.12Å; R137-D230 IonicContact NE-OD2 3.03Å; R137-D230 IonicContact NH2-OD1 3.36Å; R137-D230 PolarHBondContact NH2-OD1 2.6Å; R137-D230 IonicContact NH2-OD2 3.94Å; R137-D230 PolarHBondContact NH2-OD2 2.79Å; R137-D230 VanDerWaalsContact NH2-OD2 3.1Å; R139-D230 PolarHBondContact N-O 3.17Å; T140-D230 PolarHBondContact N-O 3.18Å; M213-D230 PolarHBondContact O-N 3.11Å; A214-D230 VanDerWaalsContact CA-OD2 3.24Å; A214-D230 WeakPolarHBondContact CA-OD2 3.31Å; F215-D230 HydrophobicContact CD2-CB 4.31Å; F215-D230 PolarHBondContact N-OD2 3.18Å
231L97.8Very high95.5Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-132.1140.7-179-179.2151.5000110.6A103 T140 I142 F157 M213 F215 L233A103-L231 HydrophobicContact CB-CD1 4.07Å; T140-L231 HydrophobicContact CG2-CD1 3.65Å; T140-L231 HydrophobicContact CG2-CG 3.98Å; T140-L231 CarbonylContact O-C 3.57Å; T140-L231 WeakPolarHBondContact O-CA 3.41Å; I142-L231 HydrophobicContact CD1-CD1 3.86Å; I142-L231 HydrophobicContact CD1-CD2 4.45Å; I142-L231 HydrophobicContact CG1-CD1 4.16Å; I142-L231 HydrophobicContact CG1-CD2 4.4Å; I142-L231 HydrophobicContact CG1-CG 4.42Å; F157-L231 HydrophobicContact CE1-CD1 4.35Å; F157-L231 HydrophobicContact CE2-CD1 4.09Å; F157-L231 HydrophobicContact CZ-CD1 3.57Å; M213-L231 HydrophobicContact CB-CB 4.4Å; M213-L231 HydrophobicContact CB-CD2 4.3Å; M213-L231 HydrophobicContact CG-CD2 4.4Å; M213-L231 PolarHBondContact N-O 2.92Å; M213-L231 PolarHBondContact O-N 3.44Å; M213-L231 HydrophobicContact SD-CD2 3.94Å; F215-L231 HydrophobicContact CE2-CB 3.76Å; F215-L231 HydrophobicContact CE2-CD1 4.03Å; F215-L231 HydrophobicContact CE2-CG 4.46Å; F215-L231 HydrophobicContact CZ-CD1 4.38Å; L231-L233 HydrophobicContact CD2-CB 4.03Å
232I97.9Very high95.1Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-114.3124.9172.9-62.7161.8000108.1A138 T140 L141 I142 F226 A234 I256A138-I232 HydrophobicContact CB-CD1 3.54Å; A138-I232 HydrophobicContact CB-CG1 4.02Å; T140-I232 PolarHBondContact O-N 3.47Å; L141-I232 WeakPolarHBondContact CA-O 3.42Å; L141-I232 HydrophobicContact CD1-CB 4.09Å; L141-I232 HydrophobicContact CD1-CG2 3.94Å; I142-I232 PolarHBondContact N-O 3.42Å; F226-I232 HydrophobicContact CD1-CD1 4.4Å; F226-I232 HydrophobicContact CD1-CG1 4.14Å; F226-I232 HydrophobicContact CE1-CG2 4.3Å; I232-A234 HydrophobicContact CG2-CB 4.39Å; I232-I256 HydrophobicContact CD1-CB 4.09Å; I232-I256 HydrophobicContact CD1-CG1 3.91Å; I232-I256 HydrophobicContact CD1-CG2 4.23Å; I232-I256 HydrophobicContact CG2-CG2 4.49Å
233L98.4Very high94.6Very high0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-112.6116.4174.617361.7000108.1I142 A144 A150 I153 V154 F209 I211 L231I142-L233 HydrophobicContact CB-CD1 3.78Å; I142-L233 HydrophobicContact CG2-CD1 3.73Å; A144-L233 HydrophobicContact CB-CD1 4.15Å; A150-L233 HydrophobicContact CB-CD1 4.32Å; A150-L233 HydrophobicContact CB-CD2 3.77Å; A150-L233 HydrophobicContact CB-CG 4.09Å; I153-L233 HydrophobicContact CB-CD2 4.37Å; I153-L233 HydrophobicContact CD1-CD1 4.11Å; I153-L233 HydrophobicContact CG2-CD1 4.39Å; I153-L233 HydrophobicContact CG2-CD2 4.07Å; V154-L233 HydrophobicContact CG2-CD2 3.69Å; F209-L233 HydrophobicContact CE2-CG 4.33Å; I211-L233 HydrophobicContact CD1-CB 4.37Å; I211-L233 HydrophobicContact CD1-CD2 4.06Å; I211-L233 HydrophobicContact CG1-CB 3.84Å; I211-L233 HydrophobicContact CG1-CD2 4.38Å; I211-L233 HydrophobicContact CG1-CG 4.31Å; I211-L233 WeakPolarHBondContact CG1-O 3.46Å; I211-L233 PolarHBondContact N-O 3.25Å; I211-L233 PolarHBondContact O-N 2.95Å; L231-L233 HydrophobicContact CD2-CB 4.03Å
234A97.9Very high94.2Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-146.6161.9-174.100000112.3I142 L143 A144 F209 R210 I232 I239I142-A234 PolarHBondContact O-N 3.46Å; L143-A234 VanDerWaalsContact CA-O 3.32Å; L143-A234 WeakPolarHBondContact CA-O 3.38Å; A144-A234 PolarHBondContact N-O 2.79Å; F209-A234 VanDerWaalsContact CE2-C 3.46Å; R210-A234 HydrophobicContact CB-CB 4Å; I232-A234 HydrophobicContact CG2-CB 4.39Å; A234-I239 HydrophobicContact CB-CD1 3.35Å; A234-I239 HydrophobicContact CB-CG1 3.63Å
235S98Very high93.5Very high0 Ų033 Ų330%017%0.174CC..  trans-87.4155.416449.50000110.2A144 D207 F209 L237 G238 I239A144-S235 WeakPolarHBondContact O-CA 3.49Å; D207-S235 WeakPolarHBondContact O-CB 3.28Å; D207-S235 PolarHBondContact O-OG 3.11Å; F209-S235 VanDerWaalsContact CE1-CB 3.5Å; F209-S235 PolarHBondContact N-OG 3.18Å; F209-S235 PolarHBondContact O-N 3.23Å; F209-S235 PolarHBondContact O-OG 3.28Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 2.59Å; S235-G238 PolarHBondContact O-N 3.36Å; S235-G238 VanDerWaalsContact O-N 3.12Å; S235-G238 WeakPolarHBondContact OG-CA 3.34Å; S235-G238 PolarHBondContact OG-N 3.11Å; S235-I239 PolarHBondContact O-N 3.15Å
236P97.6Very high92.4Very high5 Ų539.5 Ų39.53%0.03219%0.194CC..Hα-helixtrans-57.1-40.9172.6-20.629.7000112.3I239 K240 L271 T278 V279 I282P236-I239 PolarHBondContact O-N 2.81Å; P236-K240 WeakPolarHBondContact O-CB 3.47Å; P236-K240 PolarHBondContact O-N 2.96Å; P236-L271 HydrophobicContact CG-CD2 3.57Å; P236-T278 HydrophobicContact CB-CG2 3.74Å; P236-T278 WeakPolarHBondContact O-CG2 3.29Å; P236-V279 HydrophobicContact CB-CG2 4.09Å; P236-V279 HydrophobicContact CG-CG2 3.7Å; P236-I282 HydrophobicContact CB-CD1 3.95Å
237L95.9Very high91.1Very high78 Ų7844.2 Ų44.241%0.40823%0.225SC..Hα-helixtrans-64.2-40.8176.2-177.761.3000111.7N208 S235 I239 K240 A241N208-L237 HydrophobicContact CB-CD2 4.06Å; S235-L237 VanDerWaalsContact C-N 3.25Å; S235-L237 PolarHBondContact O-N 2.59Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.91Å; L237-K240 PolarHBondContact O-N 3.46Å; L237-A241 WeakPolarHBondContact O-CB 3.38Å; L237-A241 PolarHBondContact O-N 2.97Å
238G94.9Very high89.8Confident0 Ų039 Ų390%021%0.207CC..Hα-helixtrans-61.9-35.617600000113.5R210 S235 V242R210-G238 PolarHBondContact NH1-O 2.76Å; S235-G238 PolarHBondContact O-N 3.36Å; S235-G238 VanDerWaalsContact O-N 3.12Å; S235-G238 WeakPolarHBondContact OG-CA 3.34Å; S235-G238 PolarHBondContact OG-N 3.11Å; G238-V242 WeakPolarHBondContact O-CG2 3.3Å
239I94Very high88.4Confident2 Ų243.2 Ų43.21%0.0122%0.222CC..Hα-helixtrans-76-41.8172.9-61.2-50.7000111.5L143 A234 S235 P236 L237 A241 V242 I243 I256 I282L143-I239 HydrophobicContact CD2-CG1 4.38Å; A234-I239 HydrophobicContact CB-CD1 3.35Å; A234-I239 HydrophobicContact CB-CG1 3.63Å; S235-I239 PolarHBondContact O-N 3.15Å; P236-I239 PolarHBondContact O-N 2.81Å; L237-I239 VanDerWaalsContact C-N 3.3Å; L237-I239 PolarHBondContact O-N 2.91Å; I239-A241 VanDerWaalsContact C-N 3.26Å; I239-A241 PolarHBondContact O-N 2.94Å; I239-V242 WeakPolarHBondContact O-CB 3.3Å; I239-V242 PolarHBondContact O-N 2.93Å; I239-I243 HydrophobicContact CG2-CD1 3.8Å; I239-I243 HydrophobicContact CG2-CG1 4.35Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.46Å; I239-I256 HydrophobicContact CD1-CD1 4.16Å; I239-I256 HydrophobicContact CD1-CG2 3.81Å; I239-I282 HydrophobicContact CB-CD1 3.75Å; I239-I282 HydrophobicContact CB-CG1 4.31Å; I239-I282 HydrophobicContact CG1-CD1 4.41Å; I239-I282 HydrophobicContact CG2-CD1 3.83Å; I239-I282 HydrophobicContact CG2-CG1 3.81Å; I239-I282 HydrophobicContact CG2-CG2 4.36Å
240K92.6Very high87Confident46 Ų4649.3 Ų49.320%0.225%0.251CS..Hα-helixtrans-58.6-40177-172.959.7160.684.50111.8P236 L237 V242 I243 D244 T278P236-K240 WeakPolarHBondContact O-CB 3.47Å; P236-K240 PolarHBondContact O-N 2.96Å; L237-K240 PolarHBondContact O-N 3.46Å; K240-V242 PolarHBondContact O-N 2.93Å; K240-I243 PolarHBondContact O-N 3.08Å; K240-I243 VanDerWaalsContact O-N 3.11Å; K240-D244 WeakPolarHBondContact CG-OD2 3.11Å; K240-D244 IonicContact NZ-OD1 2.71Å; K240-D244 PolarHBondContact NZ-OD1 3.3Å; K240-D244 IonicContact NZ-OD2 3.72Å; K240-D244 PolarHBondContact NZ-OD2 3.09Å; K240-D244 WeakPolarHBondContact O-CB 3.42Å; K240-D244 PolarHBondContact O-N 3.33Å; K240-T278 HydrophobicContact CB-CG2 3.78Å; K240-T278 HydrophobicContact CD-CG2 4.41Å; K240-T278 HydrophobicContact CG-CG2 4.21Å
241A91.6Very high85.6Confident36 Ų3649.8 Ų49.830%0.29826%0.256SS..Hα-helixtrans-59.8-32.8174.600000112.9L237 I239 D245L237-A241 WeakPolarHBondContact O-CB 3.38Å; L237-A241 PolarHBondContact O-N 2.97Å; I239-A241 VanDerWaalsContact C-N 3.26Å; I239-A241 PolarHBondContact O-N 2.94Å; A241-D245 WeakPolarHBondContact O-CB 3.23Å; A241-D245 PolarHBondContact O-N 3.44Å
242V89.6Confident84.7Confident1 Ų152.4 Ų52.41%0.00627%0.27CS..Hα-helixtrans-75.2-35.8175.2174.60000111.1R210 G238 I239 K240 E248 D252 V253 I256R210-V242 VanDerWaalsContact NE-CG2 3.3Å; G238-V242 WeakPolarHBondContact O-CG2 3.3Å; I239-V242 WeakPolarHBondContact O-CB 3.3Å; I239-V242 PolarHBondContact O-N 2.93Å; K240-V242 PolarHBondContact O-N 2.93Å; V242-E248 VanDerWaalsContact CA-OE2 3.31Å; V242-E248 WeakPolarHBondContact CA-OE2 3.26Å; V242-E248 VanDerWaalsContact CB-OE2 3.29Å; V242-E248 WeakPolarHBondContact CB-OE2 3.46Å; V242-E248 WeakPolarHBondContact CG1-OE2 3.45Å; V242-E248 VanDerWaalsContact CG2-OE2 3.24Å; V242-E248 WeakPolarHBondContact CG2-OE2 3.35Å; V242-D252 HydrophobicContact CG1-CB 4.39Å; V242-V253 HydrophobicContact CG1-CG2 3.69Å; V242-V253 WeakPolarHBondContact O-CG2 3.37Å; V242-I256 HydrophobicContact CB-CD1 4.35Å; V242-I256 HydrophobicContact CG1-CD1 3.79Å; V242-I256 HydrophobicContact CG2-CD1 4.26Å
243I87.8Confident84.1Confident45 Ų4553.7 Ų53.723%0.23128%0.278CS..Hα-helixtrans-70.6-37.2179-66.7167.2000111.5I239 K240 V253 I282 L285I239-I243 HydrophobicContact CG2-CD1 3.8Å; I239-I243 HydrophobicContact CG2-CG1 4.35Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.46Å; K240-I243 PolarHBondContact O-N 3.08Å; K240-I243 VanDerWaalsContact O-N 3.11Å; I243-V253 HydrophobicContact CG1-CG1 4.24Å; I243-V253 HydrophobicContact CG1-CG2 4.34Å; I243-I282 HydrophobicContact CD1-CG1 4.38Å; I243-L285 HydrophobicContact CD1-CD1 3.81Å
244D87.2Confident83.5Confident90 Ų9054.5 Ų54.548%0.48128%0.281SS..Hα-helixtrans-87.9-16.2-176.2-67.3-12.8000113.8K240 E246K240-D244 WeakPolarHBondContact CG-OD2 3.11Å; K240-D244 IonicContact NZ-OD1 2.71Å; K240-D244 PolarHBondContact NZ-OD1 3.3Å; K240-D244 IonicContact NZ-OD2 3.72Å; K240-D244 PolarHBondContact NZ-OD2 3.09Å; K240-D244 WeakPolarHBondContact O-CB 3.42Å; K240-D244 PolarHBondContact O-N 3.33Å; D244-E246 PolarHBondContact O-N 3.15Å
245D83.3Confident83Confident61 Ų6155.6 Ų55.633%0.32629%0.286SS..  trans-77.9104.9-179.1-170.9-6.7000110.1A241 V247 E248A241-D245 WeakPolarHBondContact O-CB 3.23Å; A241-D245 PolarHBondContact O-N 3.44Å; D245-V247 PolarHBondContact O-N 2.96Å; D245-V247 WeakPolarHBondContact OD1-CA 3.07Å; D245-V247 WeakPolarHBondContact OD1-CB 3.49Å; D245-V247 PolarHBondContact OD1-N 3.24Å; D245-E248 HydrophobicContact CB-CB 4.16Å; D245-E248 HydrophobicContact CB-CG 4.35Å; D245-E248 PolarHBondContact O-N 2.87Å; D245-E248 PolarHBondContact OD1-N 3.2Å
246E70.3Confident82.5Confident198 Ų19855.7 Ų55.793%0.92529%0.286SS*.SBendtrans-61.9-19.9174.8-61.2-176.4171.600112.8D244D244-E246 PolarHBondContact O-N 3.15Å
247V63.9Low82.2Confident128 Ų12856.2 Ų56.278%0.77629%0.289SS*.SBendtrans-84.4-35.7180-172.80000111.7D245 K249D245-V247 PolarHBondContact O-N 2.96Å; D245-V247 WeakPolarHBondContact OD1-CA 3.07Å; D245-V247 WeakPolarHBondContact OD1-CB 3.49Å; D245-V247 PolarHBondContact OD1-N 3.24Å; V247-K249 PolarHBondContact O-N 3.07Å
248E62.1Low81.9Confident44 Ų4452.8 Ų52.821%0.20627%0.271CS..SBendtrans-65.7126.3170.7-79.4-170.9176.200108.5R210 V242 D245 E250R210-E248 IonicContact CZ-OE1 2.85Å; R210-E248 IonicContact NE-OE1 3.67Å; R210-E248 IonicContact NH2-OE1 3.65Å; R210-E248 PolarHBondContact NH2-OE1 3.27Å; R210-E248 IonicContact NH2-OE2 2.77Å; V242-E248 VanDerWaalsContact CA-OE2 3.31Å; V242-E248 WeakPolarHBondContact CA-OE2 3.26Å; V242-E248 VanDerWaalsContact CB-OE2 3.29Å; V242-E248 WeakPolarHBondContact CB-OE2 3.46Å; V242-E248 WeakPolarHBondContact CG1-OE2 3.45Å; V242-E248 VanDerWaalsContact CG2-OE2 3.24Å; V242-E248 WeakPolarHBondContact CG2-OE2 3.35Å; D245-E248 HydrophobicContact CB-CB 4.16Å; D245-E248 HydrophobicContact CB-CG 4.35Å; D245-E248 PolarHBondContact O-N 2.87Å; D245-E248 PolarHBondContact OD1-N 3.2Å; E248-E250 PolarHBondContact O-N 3.5Å
249K63.4Low81.8Confident164 Ų16452.9 Ų52.971%0.71327%0.272SS*.  trans-63.1141.3-176.2-64.2178.7-178.6179.60108V247 A251 D252V247-K249 PolarHBondContact O-N 3.07Å; K249-A251 HydrophobicContact CB-CB 4.12Å; K249-A251 CarbonylContact O-C 3.58Å; K249-A251 PolarHBondContact O-N 3.31Å; K249-D252 PolarHBondContact O-N 3.45Å
250E66.5Low81.9Confident129 Ų12952.9 Ų52.960%0.60327%0.272SS*.Hα-helixtrans-43.8-26.6170.2-67.1-176.8167.100113.3E248 D252 V253 Q254E248-E250 PolarHBondContact O-N 3.5Å; E250-D252 PolarHBondContact O-N 2.83Å; E250-V253 PolarHBondContact O-N 3.02Å; E250-Q254 VanDerWaalsContact O-CG 3.29Å; E250-Q254 WeakPolarHBondContact O-CG 3.44Å; E250-Q254 PolarHBondContact O-N 3.12Å; E250-Q254 VanDerWaalsContact O-N 3.08Å
251A68Low82.2Confident19 Ų1950.8 Ų50.816%0.15726%0.263CS..Hα-helixtrans-54.1-41.517100000114.5K249 Q254 Y255K249-A251 HydrophobicContact CB-CB 4.12Å; K249-A251 CarbonylContact O-C 3.58Å; K249-A251 PolarHBondContact O-N 3.31Å; A251-Q254 PolarHBondContact O-N 3.34Å; A251-Y255 HydrophobicContact CB-CE2 3.92Å; A251-Y255 WeakPolarHBondContact O-CD2 3.43Å; A251-Y255 WeakPolarHBondContact O-CE2 3.5Å; A251-Y255 VanDerWaalsContact O-CG 3.25Å; A251-Y255 PolarHBondContact O-N 3.5Å
252D78.1Confident82.5Confident54 Ų5449 Ų4929%0.28925%0.249SC..Hα-helixtrans-69.3-41.7-178.2-75.9-26.4000112.3V242 K249 E250 Q254 Y255 I256V242-D252 HydrophobicContact CG1-CB 4.39Å; K249-D252 PolarHBondContact O-N 3.45Å; E250-D252 PolarHBondContact O-N 2.83Å; D252-Q254 VanDerWaalsContact C-N 3.31Å; D252-Q254 PolarHBondContact O-N 2.9Å; D252-Y255 PolarHBondContact O-N 3.04Å; D252-Y255 WeakPolarHBondContact OD1-CD2 2.95Å; D252-I256 WeakPolarHBondContact O-CD1 3.38Å; D252-I256 VanDerWaalsContact O-CG1 3.32Å; D252-I256 WeakPolarHBondContact O-CG1 3.36Å; D252-I256 PolarHBondContact O-N 3.27Å
253V85.1Confident82.9Confident28 Ų2849 Ų4917%0.1725%0.248CC..Hα-helixtrans-57.5-47.5170.1176.60000109.9V242 I243 E250 Y255 I256 I257V242-V253 HydrophobicContact CG1-CG2 3.69Å; V242-V253 WeakPolarHBondContact O-CG2 3.37Å; I243-V253 HydrophobicContact CG1-CG1 4.24Å; I243-V253 HydrophobicContact CG1-CG2 4.34Å; E250-V253 PolarHBondContact O-N 3.02Å; V253-Y255 PolarHBondContact O-N 2.99Å; V253-I256 WeakPolarHBondContact O-CB 3.33Å; V253-I256 PolarHBondContact O-N 3.4Å; V253-I257 HydrophobicContact CG1-CD1 3.58Å; V253-I257 HydrophobicContact CG1-CG1 4.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.29Å; V253-I257 PolarHBondContact O-N 2.98Å
254Q86.3Confident83.4Confident16 Ų1646.9 Ų46.98%0.07524%0.237CC..Hα-helixtrans-61.5-41.9179.9-72.1173.214.300112.7H136 E250 A251 D252 I256 I257 A258 P290 T291 V292H136-Q254 VanDerWaalsContact CD2-C 3.46Å; H136-Q254 PolarHBondContact CD2-O 2.79Å; E250-Q254 VanDerWaalsContact O-CG 3.29Å; E250-Q254 WeakPolarHBondContact O-CG 3.44Å; E250-Q254 PolarHBondContact O-N 3.12Å; E250-Q254 VanDerWaalsContact O-N 3.08Å; A251-Q254 PolarHBondContact O-N 3.34Å; D252-Q254 VanDerWaalsContact C-N 3.31Å; D252-Q254 PolarHBondContact O-N 2.9Å; Q254-I256 PolarHBondContact O-N 3.46Å; Q254-I256 VanDerWaalsContact O-N 3.15Å; Q254-I257 PolarHBondContact O-N 2.84Å; Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.39Å; Q254-A258 PolarHBondContact O-N 2.82Å; Q254-A258 VanDerWaalsContact O-N 3.08Å; Q254-P290 HydrophobicContact CG-CB 4.22Å; Q254-T291 PolarHBondContact NE2-OG1 3.05Å; Q254-V292 PolarHBondContact OE1-O 2.82Å
255Y86.2Confident83.9Confident23 Ų2342.6 Ų42.69%0.0921%0.214CC..Hα-helixtrans-57.5-28.4174.4-65.8-49.3000112.6H136 R227 A251 D252 V253 V294H136-Y255 HydrophobicContact CB-CD1 4.1Å; H136-Y255 AromaticContact CD2-CD1 3.98Å; H136-Y255 AromaticContact CE1-CD1 3.58Å; H136-Y255 AromaticContact CE1-CE1 3.56Å; H136-Y255 AromaticContact CG-CD1 3.52Å; H136-Y255 AromaticContact ND1-CD1 3.27Å; H136-Y255 VanDerWaalsContact ND1-CD1 3.27Å; H136-Y255 WeakPolarHBondContact ND1-CD1 3.3Å; H136-Y255 AromaticContact ND1-CE1 3.4Å; H136-Y255 WeakPolarHBondContact ND1-CE1 3.29Å; R227-Y255 HydrophobicContact CB-CD1 4.31Å; R227-Y255 HydrophobicContact CB-CD2 4.34Å; R227-Y255 HydrophobicContact CB-CE1 4.12Å; R227-Y255 HydrophobicContact CB-CE2 4.21Å; R227-Y255 HydrophobicContact CB-CG 4.47Å; R227-Y255 HydrophobicContact CG-CE1 3.99Å; A251-Y255 HydrophobicContact CB-CE2 3.92Å; A251-Y255 WeakPolarHBondContact O-CD2 3.43Å; A251-Y255 WeakPolarHBondContact O-CE2 3.5Å; A251-Y255 VanDerWaalsContact O-CG 3.25Å; A251-Y255 PolarHBondContact O-N 3.5Å; D252-Y255 PolarHBondContact O-N 3.04Å; D252-Y255 WeakPolarHBondContact OD1-CD2 2.95Å; V253-Y255 PolarHBondContact O-N 2.99Å; Y255-V294 WeakPolarHBondContact OH-CG1 3.44Å
256I88.5Confident84.6Confident2 Ų239.8 Ų39.81%0.0120%0.2CC..Hα-helixtrans-85.7-43-179.6-60.4163.2000112.2L141 F226 I232 I239 V242 D252 V253 Q254 I260L141-I256 HydrophobicContact CD1-CG2 4.46Å; F226-I256 HydrophobicContact CD2-CD1 4.13Å; F226-I256 HydrophobicContact CD2-CG1 4.25Å; F226-I256 HydrophobicContact CE2-CD1 4.12Å; F226-I256 HydrophobicContact CG-CG1 4.31Å; I232-I256 HydrophobicContact CD1-CB 4.09Å; I232-I256 HydrophobicContact CD1-CG1 3.91Å; I232-I256 HydrophobicContact CD1-CG2 4.23Å; I232-I256 HydrophobicContact CG2-CG2 4.49Å; I239-I256 HydrophobicContact CD1-CD1 4.16Å; I239-I256 HydrophobicContact CD1-CG2 3.81Å; V242-I256 HydrophobicContact CB-CD1 4.35Å; V242-I256 HydrophobicContact CG1-CD1 3.79Å; V242-I256 HydrophobicContact CG2-CD1 4.26Å; D252-I256 WeakPolarHBondContact O-CD1 3.38Å; D252-I256 VanDerWaalsContact O-CG1 3.32Å; D252-I256 WeakPolarHBondContact O-CG1 3.36Å; D252-I256 PolarHBondContact O-N 3.27Å; V253-I256 WeakPolarHBondContact O-CB 3.33Å; V253-I256 PolarHBondContact O-N 3.4Å; Q254-I256 PolarHBondContact O-N 3.46Å; Q254-I256 VanDerWaalsContact O-N 3.15Å; I256-I260 VanDerWaalsContact O-CD1 3.24Å; I256-I260 WeakPolarHBondContact O-CD1 3.41Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.42Å
257I90.1Very high85.7Confident17 Ų1730.6 Ų30.69%0.08716%0.157CC..Hα-helixtrans-103.7-26.3-165.168.4-176.6000115.2V253 Q254 S259 L285 L286 N287V253-I257 HydrophobicContact CG1-CD1 3.58Å; V253-I257 HydrophobicContact CG1-CG1 4.31Å; V253-I257 WeakPolarHBondContact O-CG1 3.29Å; V253-I257 PolarHBondContact O-N 2.98Å; Q254-I257 PolarHBondContact O-N 2.84Å; I257-S259 PolarHBondContact O-N 3.02Å; I257-L285 HydrophobicContact CD1-CB 4.11Å; I257-L285 WeakPolarHBondContact CD1-O 3.48Å; I257-L286 HydrophobicContact CB-CD2 3.93Å; I257-L286 HydrophobicContact CG2-CD2 4.04Å; I257-N287 PolarHBondContact O-N 2.81Å
258A90.5Very high87.2Confident5 Ų524.5 Ų24.54%0.04112%0.12CC..THydrogen-bonded Turntrans-75.2-31.5-162.500000114.3F135 Q254F135-A258 HydrophobicContact CB-CB 4.46Å; F135-A258 HydrophobicContact CD2-CB 4.34Å; Q254-A258 VanDerWaalsContact O-CB 3.31Å; Q254-A258 WeakPolarHBondContact O-CB 3.39Å; Q254-A258 PolarHBondContact O-N 2.82Å; Q254-A258 VanDerWaalsContact O-N 3.08Å
259S93.5Very high88.7Confident3 Ų322.4 Ų22.42%0.02111%0.11CC..THydrogen-bonded Turntrans-117.922.3-168.7-59.80000114.7F135 H136 R139 I257 E261F135-S259 WeakPolarHBondContact CA-OG 3.38Å; F135-S259 WeakPolarHBondContact CB-OG 3.42Å; F135-S259 PolarHBondContact N-OG 2.85Å; H136-S259 PolarHBondContact N-OG 3.26Å; R139-S259 WeakPolarHBondContact CA-O 3.45Å; I257-S259 PolarHBondContact O-N 3.02Å; S259-E261 PolarHBondContact O-N 2.8Å
260I96.4Very high90.2Very high1 Ų114.8 Ų14.81%0.0058%0.077CC..  trans-70.9111.9-178-59.5-50.4000111R139 L141 I256 L263 L286 N287 R314R139-I260 CarbonylContact O-C 3.34Å; L141-I260 HydrophobicContact CB-CD1 3.72Å; L141-I260 HydrophobicContact CB-CG1 4.01Å; L141-I260 HydrophobicContact CB-CG2 4.06Å; I256-I260 VanDerWaalsContact O-CD1 3.24Å; I256-I260 WeakPolarHBondContact O-CD1 3.41Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.42Å; I260-L263 HydrophobicContact CG2-CB 4.21Å; I260-L286 HydrophobicContact CB-CD2 4.41Å; I260-L286 HydrophobicContact CG1-CD2 3.96Å; I260-N287 PolarHBondContact O-ND2 2.8Å; I260-R314 HydrophobicContact CG2-CG 4.4Å
261E97.2Very high91.6Very high2 Ų28.7 Ų8.71%0.0095%0.048CC..SBendtrans-94.3-25.7173.1-64.6-179.3171.300111.3F18 H106 R139 S259 Y305 R314 Q315F18-E261 HydrophobicContact CE1-CB 3.94Å; F18-E261 HydrophobicContact CE1-CG 3.81Å; F18-E261 HydrophobicContact CZ-CB 3.85Å; F18-E261 HydrophobicContact CZ-CG 4.16Å; H106-E261 IonicContact CE1-OE2 3.72Å; H106-E261 PolarHBondContact CE1-OE2 3.34Å; H106-E261 IonicContact NE2-OE2 3.43Å; H106-E261 PolarHBondContact NE2-OE2 3.45Å; R139-E261 HydrophobicContact CB-CB 4.33Å; R139-E261 HydrophobicContact CB-CG 4.34Å; R139-E261 WeakPolarHBondContact CD-OE2 3.44Å; R139-E261 HydrophobicContact CG-CG 4.44Å; R139-E261 IonicContact NH1-OE1 3.11Å; R139-E261 PolarHBondContact NH1-OE1 2.77Å; R139-E261 IonicContact NH1-OE2 2.83Å; R139-E261 PolarHBondContact O-N 3.33Å; S259-E261 PolarHBondContact O-N 2.8Å; E261-Y305 VanDerWaalsContact CG-OH 3.32Å; E261-Y305 WeakPolarHBondContact CG-OH 3.36Å; E261-Y305 PolarHBondContact OE1-OH 3.09Å; E261-R314 CarbonylContact O-C 3.5Å; E261-R314 WeakPolarHBondContact O-CA 3.33Å; E261-Q315 PolarHBondContact O-N 3.25Å
262L98.2Very high92.9Very high0 Ų08.7 Ų8.70%05%0.046CC..EExtended strand (participates in β ladder)trans-133.5112.5178.617861.5000110.6A103 H106 R139 T140 L141 I264 Q315 L317A103-L262 HydrophobicContact CB-CD2 3.99Å; H106-L262 HydrophobicContact CB-CD2 4.5Å; R139-L262 PolarHBondContact O-N 3.44Å; T140-L262 CarbonylContact C-O 3.58Å; T140-L262 VanDerWaalsContact CA-O 3.29Å; T140-L262 WeakPolarHBondContact CA-O 3.21Å; T140-L262 HydrophobicContact CG2-CB 4.18Å; T140-L262 HydrophobicContact CG2-CD2 3.94Å; T140-L262 HydrophobicContact CG2-CG 4.05Å; L141-L262 PolarHBondContact N-O 2.77Å; L262-I264 HydrophobicContact CD1-CG1 4.27Å; L262-I264 HydrophobicContact CD2-CD1 4.08Å; L262-I264 HydrophobicContact CG-CD1 4.19Å; L262-I264 HydrophobicContact CG-CG1 4.18Å; L262-Q315 WeakPolarHBondContact CA-O 3.48Å; L262-Q315 HydrophobicContact CD1-CB 4Å; L262-Q315 HydrophobicContact CD1-CG 4.14Å; L262-L317 HydrophobicContact CD1-CD1 3.97Å; L262-L317 HydrophobicContact CD1-CG 4.15Å
263L98.4Very high93.7Very high0 Ų06.5 Ų6.50%03%0.034CC..EExtended strand (participates in β ladder)trans-103.3125.1172.3173.264.9000109.3L141 L143 I260 I265 V283 L286 R314 Q315 T316 L317L141-L263 HydrophobicContact CB-CD1 4.25Å; L141-L263 HydrophobicContact CD2-CD1 4.02Å; L141-L263 HydrophobicContact CG-CD1 4.1Å; L141-L263 WeakPolarHBondContact O-CA 3.47Å; L143-L263 HydrophobicContact CD1-CD1 4.42Å; L143-L263 HydrophobicContact CG-CD1 4.4Å; I260-L263 HydrophobicContact CG2-CB 4.21Å; L263-I265 HydrophobicContact CD1-CG1 4.25Å; L263-I265 HydrophobicContact CD2-CD1 4.19Å; L263-I265 HydrophobicContact CD2-CG1 4.42Å; L263-I265 HydrophobicContact CG-CD1 4.48Å; L263-I265 HydrophobicContact CG-CG1 4.17Å; L263-V283 HydrophobicContact CD2-CG2 3.94Å; L263-L286 HydrophobicContact CD1-CD1 4.17Å; L263-L286 HydrophobicContact CD2-CD1 3.72Å; L263-L286 HydrophobicContact CG-CD1 4.39Å; L263-R314 HydrophobicContact CB-CG 4.39Å; L263-Q315 PolarHBondContact N-O 2.96Å; L263-T316 HydrophobicContact CD2-CG2 3.93Å; L263-T316 HydrophobicContact CG-CG2 4.32Å; L263-T316 CarbonylContact O-C 3.51Å; L263-T316 WeakPolarHBondContact O-CA 3.28Å; L263-L317 PolarHBondContact O-N 3.16Å
264I98.5Very high94.1Very high0 Ų06.9 Ų6.90%03%0.034CC..EExtended strand (participates in β ladder)trans-117.7125.8173.1-61.9160.8000108.3Y99 A103 T140 L141 I142 L143 L262 L317 F319Y99-I264 HydrophobicContact CD2-CD1 3.99Å; Y99-I264 HydrophobicContact CD2-CG2 3.94Å; Y99-I264 HydrophobicContact CE2-CG2 4.23Å; Y99-I264 HydrophobicContact CG-CD1 4.43Å; Y99-I264 HydrophobicContact CG-CG2 4.13Å; A103-I264 HydrophobicContact CB-CD1 4.04Å; T140-I264 HydrophobicContact CG2-CD1 4.45Å; L141-I264 PolarHBondContact O-N 2.7Å; I142-I264 CarbonylContact C-O 3.56Å; I142-I264 WeakPolarHBondContact CA-O 3.24Å; I142-I264 HydrophobicContact CB-CB 4.42Å; I142-I264 HydrophobicContact CD1-CD1 3.83Å; I142-I264 HydrophobicContact CG1-CB 4.06Å; I142-I264 HydrophobicContact CG1-CD1 3.96Å; I142-I264 HydrophobicContact CG2-CB 4.19Å; I142-I264 HydrophobicContact CG2-CG2 4.12Å; L143-I264 PolarHBondContact N-O 3.34Å; L262-I264 HydrophobicContact CD1-CG1 4.27Å; L262-I264 HydrophobicContact CD2-CD1 4.08Å; L262-I264 HydrophobicContact CG-CD1 4.19Å; L262-I264 HydrophobicContact CG-CG1 4.18Å; I264-L317 CarbonylContact C-O 3.55Å; I264-L317 VanDerWaalsContact CA-O 3.32Å; I264-L317 WeakPolarHBondContact CA-O 3.2Å; I264-L317 HydrophobicContact CG1-CB 4.19Å; I264-L317 HydrophobicContact CG1-CD1 4.15Å; I264-F319 HydrophobicContact CG2-CD2 4.34Å; I264-F319 HydrophobicContact CG2-CE2 4.15Å
265I98Very high94.5Very high0 Ų010.2 Ų10.20%05%0.052CC..EExtended strand (participates in β ladder)trans-114.1105.8173.6-59.2177.9000106.6L143 L263 L271 V279 V283 L317 L318 F319 L330L143-I265 HydrophobicContact CB-CG1 4.45Å; L143-I265 HydrophobicContact CD1-CG1 4.3Å; L263-I265 HydrophobicContact CD1-CG1 4.25Å; L263-I265 HydrophobicContact CD2-CD1 4.19Å; L263-I265 HydrophobicContact CD2-CG1 4.42Å; L263-I265 HydrophobicContact CG-CD1 4.48Å; L263-I265 HydrophobicContact CG-CG1 4.17Å; I265-L271 HydrophobicContact CG2-CD1 3.45Å; I265-L271 VanDerWaalsContact CG2-CD1 3.45Å; I265-V279 HydrophobicContact CD1-CG1 4.15Å; I265-V283 HydrophobicContact CD1-CG2 4.35Å; I265-L317 PolarHBondContact N-O 3.03Å; I265-L318 HydrophobicContact CB-CB 4.45Å; I265-L318 HydrophobicContact CB-CD1 4.45Å; I265-L318 HydrophobicContact CB-CG 4.24Å; I265-L318 HydrophobicContact CD1-CD1 4.3Å; I265-L318 HydrophobicContact CG2-CD1 4.38Å; I265-L318 HydrophobicContact CG2-CG 4.35Å; I265-L318 WeakPolarHBondContact O-CA 3.5Å; I265-F319 PolarHBondContact O-N 3.13Å; I265-L330 HydrophobicContact CD1-CD2 3.5Å
266D96.5Very high94.9Very high3 Ų39.6 Ų9.62%0.0165%0.05CC..  trans-96.9149.7177.2-16830.3000111.2R88 Y99 L143 G268R88-D266 IonicContact CZ-OD1 2.76Å; R88-D266 IonicContact NH1-OD1 2.75Å; R88-D266 PolarHBondContact NH1-OD1 2.76Å; R88-D266 IonicContact NH1-OD2 3.68Å; R88-D266 PolarHBondContact NH1-OD2 3.17Å; Y99-D266 PolarHBondContact OH-OD2 2.77Å; Y99-D266 VanDerWaalsContact OH-OD2 3.08Å; L143-D266 PolarHBondContact O-N 3.36Å; D266-G268 PolarHBondContact O-N 2.8Å
267Q94.9Very high95.2Very high4 Ų412.2 Ų12.22%0.0197%0.072CC..  trans51.752.2-179.7-67.1-177.6-15.600113R88 P145 E269 M270 L271 F319R88-Q267 VanDerWaalsContact CZ-CG 3.43Å; P145-Q267 HydrophobicContact CG-CB 3.72Å; P145-Q267 HydrophobicContact CG-CG 4.45Å; Q267-E269 PolarHBondContact O-N 3.11Å; Q267-E269 VanDerWaalsContact O-N 3.08Å; Q267-M270 HydrophobicContact CB-CB 4.2Å; Q267-M270 PolarHBondContact O-N 2.82Å; Q267-L271 PolarHBondContact O-N 3.14Å; Q267-L271 VanDerWaalsContact O-N 3.15Å; Q267-F319 PolarHBondContact N-O 2.87Å
268G95.2Very high95.4Very high0 Ų012 Ų120%07%0.071CC..Hα-helixtrans-52.2-32.517900000113.8D266 M270 L271 L272 F319D266-G268 PolarHBondContact O-N 2.8Å; G268-M270 VanDerWaalsContact C-N 3.34Å; G268-M270 PolarHBondContact O-N 3.04Å; G268-L271 PolarHBondContact O-N 2.83Å; G268-L272 WeakPolarHBondContact O-CG 3.29Å; G268-L272 PolarHBondContact O-N 2.7Å; G268-F319 PolarHBondContact N-O 3.29Å
269E93.1Very high95.7Very high1 Ų111.8 Ų11.81%0.0057%0.069CC..Hα-helixtrans-65.7-34.6177.268.7-75174.800113.1R88 W200 Q267 M273 S320 A321 V322 F581R88-E269 IonicContact NE-OE1 3.24Å; W200-E269 HydrophobicContact CZ2-CG 3.85Å; Q267-E269 PolarHBondContact O-N 3.11Å; Q267-E269 VanDerWaalsContact O-N 3.08Å; E269-M273 WeakPolarHBondContact O-CG 3.06Å; E269-S320 PolarHBondContact N-OG 3.15Å; E269-S320 VanDerWaalsContact N-OG 3.11Å; E269-S320 WeakPolarHBondContact OE2-CA 3.35Å; E269-S320 PolarHBondContact OE2-OG 3.03Å; E269-A321 HydrophobicContact CB-CB 4.41Å; E269-A321 HydrophobicContact CG-CB 3.91Å; E269-A321 PolarHBondContact OE2-N 3.3Å; E269-V322 HydrophobicContact CB-CG1 4.41Å; E269-V322 HydrophobicContact CB-CG2 3.84Å; E269-F581 HydrophobicContact CB-CE1 3.73Å; E269-F581 HydrophobicContact CB-CZ 4.11Å; E269-F581 HydrophobicContact CG-CE1 4Å
270M94.4Very high95.8Very high4 Ų414.7 Ų14.72%0.028%0.083CC..Hα-helixtrans-78.5-36.3177-171.4171.1-171.300110.6P145 T146 W200 F201 Q267 G268 L272 M273 Q274 F561P145-M270 HydrophobicContact CB-CB 4.02Å; P145-M270 HydrophobicContact CB-CG 3.74Å; P145-M270 HydrophobicContact CB-SD 3.78Å; P145-M270 HydrophobicContact CG-CB 3.98Å; P145-M270 HydrophobicContact CG-CG 3.97Å; P145-M270 HydrophobicContact CG-SD 3.59Å; P145-M270 VanDerWaalsContact CG-SD 3.59Å; T146-M270 HydrophobicContact CG2-CE 3.26Å; T146-M270 HydrophobicContact CG2-SD 3.94Å; W200-M270 HydrophobicContact CB-CE 4.46Å; W200-M270 HydrophobicContact CB-SD 4.26Å; W200-M270 HydrophobicContact CG-SD 4.49Å; F201-M270 HydrophobicContact CE1-CE 4.38Å; Q267-M270 HydrophobicContact CB-CB 4.2Å; Q267-M270 PolarHBondContact O-N 2.82Å; G268-M270 VanDerWaalsContact C-N 3.34Å; G268-M270 PolarHBondContact O-N 3.04Å; M270-L272 VanDerWaalsContact C-N 3.28Å; M270-L272 PolarHBondContact O-N 3.13Å; M270-M273 PolarHBondContact O-N 3.43Å; M270-Q274 PolarHBondContact O-N 2.95Å; M270-Q274 VanDerWaalsContact O-N 3.17Å; M270-F561 HydrophobicContact CG-CZ 4.25Å
271L97Very high95.6Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-62.3-34.6173.5-64.9173.7000112P145 P236 I265 Q267 G268 M273 Q274 N275 W276 V279P145-L271 HydrophobicContact CB-CD2 3.79Å; P145-L271 HydrophobicContact CB-CG 4.23Å; P236-L271 HydrophobicContact CG-CD2 3.57Å; I265-L271 HydrophobicContact CG2-CD1 3.45Å; I265-L271 VanDerWaalsContact CG2-CD1 3.45Å; Q267-L271 PolarHBondContact O-N 3.14Å; Q267-L271 VanDerWaalsContact O-N 3.15Å; G268-L271 PolarHBondContact O-N 2.83Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 PolarHBondContact O-N 2.86Å; L271-Q274 PolarHBondContact O-N 2.88Å; L271-N275 PolarHBondContact O-N 2.85Å; L271-W276 HydrophobicContact CB-CE3 4Å; L271-W276 HydrophobicContact CB-CZ3 3.92Å; L271-V279 HydrophobicContact CB-CG2 4.36Å; L271-V279 HydrophobicContact CD1-CG2 4.43Å
272L95.1Very high95.5Very high19 Ų1918 Ų1810%0.09910%0.098CC..Hα-helixtrans-60.1-37.6171-73.4172.6000112.3G268 M270 Q274 W276 V322 N324 L326 I327 T580G268-L272 WeakPolarHBondContact O-CG 3.29Å; G268-L272 PolarHBondContact O-N 2.7Å; M270-L272 VanDerWaalsContact C-N 3.28Å; M270-L272 PolarHBondContact O-N 3.13Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; L272-W276 HydrophobicContact CD2-CB 4.18Å; L272-W276 HydrophobicContact CD2-CD2 3.66Å; L272-W276 HydrophobicContact CD2-CE3 3.73Å; L272-W276 HydrophobicContact CD2-CG 3.86Å; L272-W276 HydrophobicContact CD2-CZ3 4.39Å; L272-W276 HydrophobicContact CG-CD2 4.45Å; L272-W276 HydrophobicContact CG-CE3 4.01Å; L272-W276 HydrophobicContact CG-CZ3 4.41Å; L272-V322 HydrophobicContact CD1-CG2 3.97Å; L272-N324 HydrophobicContact CD1-CB 3.45Å; L272-N324 VanDerWaalsContact CD1-CB 3.45Å; L272-N324 HydrophobicContact CD2-CB 4.39Å; L272-L326 HydrophobicContact CD2-CB 3.86Å; L272-L326 HydrophobicContact CD2-CD1 4.03Å; L272-I327 HydrophobicContact CD1-CD1 3.61Å; L272-I327 HydrophobicContact CD1-CG1 4.02Å; L272-I327 HydrophobicContact CD2-CG1 4.28Å; L272-I327 HydrophobicContact CG-CD1 4.19Å; L272-I327 HydrophobicContact CG-CG1 4.23Å; L272-T580 HydrophobicContact CD1-CG2 3.92Å
273M95Very high95.4Very high8 Ų818.1 Ų18.14%0.03910%0.098CC..Hα-helixtrans-80.8-11.8-179.4-63-63.9118.200113.4E269 M270 L271 E557 R558 F561 F562 T580 F581E269-M273 WeakPolarHBondContact O-CG 3.06Å; M270-M273 PolarHBondContact O-N 3.43Å; L271-M273 VanDerWaalsContact C-N 3.28Å; L271-M273 PolarHBondContact O-N 2.86Å; M273-E557 HydrophobicContact CE-CG 4.21Å; M273-E557 HydrophobicContact SD-CG 4.06Å; M273-R558 VanDerWaalsContact O-CZ 3.29Å; M273-R558 PolarHBondContact O-NE 2.77Å; M273-R558 PolarHBondContact O-NH2 3.46Å; M273-R558 HydrophobicContact SD-CG 3.99Å; M273-F561 HydrophobicContact CB-CD1 3.63Å; M273-F561 HydrophobicContact CB-CE1 3.54Å; M273-F561 HydrophobicContact CB-CE2 4.47Å; M273-F561 HydrophobicContact CB-CG 4.17Å; M273-F561 HydrophobicContact CB-CZ 4.01Å; M273-F561 HydrophobicContact CG-CB 4.37Å; M273-F561 HydrophobicContact CG-CD1 3.65Å; M273-F561 HydrophobicContact CG-CD2 3.69Å; M273-F561 HydrophobicContact CG-CE1 3.73Å; M273-F561 HydrophobicContact CG-CE2 3.78Å; M273-F561 HydrophobicContact CG-CG 3.64Å; M273-F561 HydrophobicContact CG-CZ 3.82Å; M273-F561 HydrophobicContact SD-CB 4.12Å; M273-F561 HydrophobicContact SD-CD1 4.4Å; M273-F561 HydrophobicContact SD-CD2 4.28Å; M273-F561 HydrophobicContact SD-CG 4.03Å; M273-F562 HydrophobicContact CB-CE2 4.49Å; M273-F562 HydrophobicContact CB-CZ 4.21Å; M273-F562 WeakPolarHBondContact O-CZ 3.31Å; M273-T580 HydrophobicContact CE-CG2 4.27Å; M273-F581 HydrophobicContact CE-CE2 3.63Å; M273-F581 HydrophobicContact CE-CZ 4.28Å; M273-F581 HydrophobicContact CG-CE2 3.78Å; M273-F581 HydrophobicContact CG-CZ 3.85Å; M273-F581 HydrophobicContact SD-CE2 3.72Å; M273-F581 HydrophobicContact SD-CZ 4.39Å
274Q94Very high95.1Very high36 Ų3620.2 Ų20.217%0.16811%0.113CC..Hα-helixtrans-88.9-98.9171.9-69.8176.6-22.500110.2P145 D207 M270 L271 L272 R558P145-Q274 PolarHBondContact O-NE2 3.17Å; D207-Q274 VanDerWaalsContact CB-NE2 3.35Å; M270-Q274 PolarHBondContact O-N 2.95Å; M270-Q274 VanDerWaalsContact O-N 3.17Å; L271-Q274 PolarHBondContact O-N 2.88Å; L272-Q274 VanDerWaalsContact C-N 3.31Å; Q274-R558 PolarHBondContact O-NH2 3.49Å
275N93.5Very high94.8Very high87 Ų8722.7 Ų22.747%0.46513%0.126SC..  trans-146.695.6176.6-176.1-16.1000109L271 A277 T278L271-N275 PolarHBondContact O-N 2.85Å; N275-A277 VanDerWaalsContact C-N 3.29Å; N275-A277 PolarHBondContact O-N 2.81Å; N275-A277 WeakPolarHBondContact OD1-CB 3.33Å; N275-A277 PolarHBondContact OD1-N 2.92Å; N275-A277 VanDerWaalsContact OD1-N 3.1Å; N275-T278 VanDerWaalsContact CG-OG1 3.28Å; N275-T278 PolarHBondContact ND2-OG1 2.91Å; N275-T278 PolarHBondContact O-N 3.31Å; N275-T278 PolarHBondContact OD1-N 3.36Å
276W94.9Very high94.7Very high10 Ų1022.7 Ų22.74%0.03813%0.126CC..Hα-helixtrans-66.4-30.1179.6-170.1-103.1000113.1L271 L272 T278 V279 Q280 L318 L326 I327 L330L271-W276 HydrophobicContact CB-CE3 4Å; L271-W276 HydrophobicContact CB-CZ3 3.92Å; L272-W276 HydrophobicContact CD2-CB 4.18Å; L272-W276 HydrophobicContact CD2-CD2 3.66Å; L272-W276 HydrophobicContact CD2-CE3 3.73Å; L272-W276 HydrophobicContact CD2-CG 3.86Å; L272-W276 HydrophobicContact CD2-CZ3 4.39Å; L272-W276 HydrophobicContact CG-CD2 4.45Å; L272-W276 HydrophobicContact CG-CE3 4.01Å; L272-W276 HydrophobicContact CG-CZ3 4.41Å; W276-T278 PolarHBondContact O-N 2.78Å; W276-V279 HydrophobicContact CD2-CB 4.49Å; W276-V279 HydrophobicContact CE3-CB 4.41Å; W276-V279 HydrophobicContact CE3-CG2 4.3Å; W276-V279 HydrophobicContact CH2-CG1 4.42Å; W276-V279 HydrophobicContact CZ3-CG1 4.44Å; W276-V279 WeakPolarHBondContact O-CA 3.48Å; W276-V279 WeakPolarHBondContact O-CB 3.35Å; W276-V279 PolarHBondContact O-N 3.48Å; W276-Q280 PolarHBondContact O-N 3.17Å; W276-L318 HydrophobicContact CH2-CD1 4.14Å; W276-L326 HydrophobicContact CG-CB 4.35Å; W276-L326 HydrophobicContact CG-CD1 4.49Å; W276-L326 PolarHBondContact NE1-O 3.08Å; W276-L326 VanDerWaalsContact NE1-O 3.13Å; W276-I327 HydrophobicContact CH2-CB 4.5Å; W276-I327 HydrophobicContact CH2-CG1 3.67Å; W276-I327 HydrophobicContact CZ2-CB 4.43Å; W276-I327 HydrophobicContact CZ2-CG1 3.94Å; W276-I327 HydrophobicContact CZ3-CG1 4.16Å; W276-L330 HydrophobicContact CH2-CD2 4.31Å; W276-L330 HydrophobicContact CZ2-CB 4.24Å; W276-L330 HydrophobicContact CZ2-CD2 4Å
277A94Very high94.5Very high57 Ų5723.2 Ų23.247%0.47113%0.129SC..Hα-helixtrans-61.5-35.417900000111.4N275 V279 Q280 Q281N275-A277 VanDerWaalsContact C-N 3.29Å; N275-A277 PolarHBondContact O-N 2.81Å; N275-A277 WeakPolarHBondContact OD1-CB 3.33Å; N275-A277 PolarHBondContact OD1-N 2.92Å; N275-A277 VanDerWaalsContact OD1-N 3.1Å; A277-V279 VanDerWaalsContact C-N 3.33Å; A277-V279 PolarHBondContact O-N 2.96Å; A277-Q280 PolarHBondContact O-N 3.13Å; A277-Q281 WeakPolarHBondContact O-CB 3.43Å; A277-Q281 PolarHBondContact O-N 2.97Å
278T95.6Very high94.3Very high13 Ų1327.4 Ų27.48%0.0815%0.149CC..Hα-helixtrans-61.9-40172.5-550000111.8P236 K240 N275 W276 Q281 I282P236-T278 HydrophobicContact CB-CG2 3.74Å; P236-T278 WeakPolarHBondContact O-CG2 3.29Å; K240-T278 HydrophobicContact CB-CG2 3.78Å; K240-T278 HydrophobicContact CD-CG2 4.41Å; K240-T278 HydrophobicContact CG-CG2 4.21Å; N275-T278 VanDerWaalsContact CG-OG1 3.28Å; N275-T278 PolarHBondContact ND2-OG1 2.91Å; N275-T278 PolarHBondContact O-N 3.31Å; N275-T278 PolarHBondContact OD1-N 3.36Å; W276-T278 PolarHBondContact O-N 2.78Å; T278-Q281 PolarHBondContact O-N 2.82Å; T278-I282 HydrophobicContact CG2-CD1 3.99Å; T278-I282 WeakPolarHBondContact O-CD1 3.35Å; T278-I282 VanDerWaalsContact O-CG1 3.23Å; T278-I282 WeakPolarHBondContact O-CG1 3.05Å; T278-I282 PolarHBondContact O-N 2.87Å
279V96.8Very high93.8Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-63.1-47.6175.6-179.20000110.3L143 P236 I265 L271 W276 A277 Q281 I282 V283L143-V279 HydrophobicContact CD1-CG1 4.35Å; P236-V279 HydrophobicContact CB-CG2 4.09Å; P236-V279 HydrophobicContact CG-CG2 3.7Å; I265-V279 HydrophobicContact CD1-CG1 4.15Å; L271-V279 HydrophobicContact CB-CG2 4.36Å; L271-V279 HydrophobicContact CD1-CG2 4.43Å; W276-V279 HydrophobicContact CD2-CB 4.49Å; W276-V279 HydrophobicContact CE3-CB 4.41Å; W276-V279 HydrophobicContact CE3-CG2 4.3Å; W276-V279 HydrophobicContact CH2-CG1 4.42Å; W276-V279 HydrophobicContact CZ3-CG1 4.44Å; W276-V279 WeakPolarHBondContact O-CA 3.48Å; W276-V279 WeakPolarHBondContact O-CB 3.35Å; W276-V279 PolarHBondContact O-N 3.48Å; A277-V279 VanDerWaalsContact C-N 3.33Å; A277-V279 PolarHBondContact O-N 2.96Å; V279-Q281 VanDerWaalsContact C-N 3.33Å; V279-Q281 PolarHBondContact O-N 2.77Å; V279-I282 PolarHBondContact O-N 2.83Å; V279-V283 HydrophobicContact CG1-CG2 4.48Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 3.49Å
280Q94.6Very high93.4Very high64 Ų6435.6 Ų35.630%0.29918%0.182SC..Hα-helixtrans-59.6-43.8177.5-67177.2-6600111.7W276 A277 V283 S284 L330W276-Q280 PolarHBondContact O-N 3.17Å; A277-Q280 PolarHBondContact O-N 3.13Å; Q280-V283 PolarHBondContact O-N 3.17Å; Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.11Å; Q280-L330 HydrophobicContact CG-CD1 4.29Å
281Q93.3Very high92.8Very high71 Ų7140.3 Ų40.333%0.33221%0.212SC..Hα-helixtrans-60-49176.2-174.1-176.65.800111.3A277 T278 V279 V283 S284 L285A277-Q281 WeakPolarHBondContact O-CB 3.43Å; A277-Q281 PolarHBondContact O-N 2.97Å; T278-Q281 PolarHBondContact O-N 2.82Å; V279-Q281 VanDerWaalsContact C-N 3.33Å; V279-Q281 PolarHBondContact O-N 2.77Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.31Å; Q281-S284 PolarHBondContact O-N 3.47Å; Q281-S284 PolarHBondContact O-OG 3.3Å; Q281-L285 HydrophobicContact CG-CD1 4.24Å; Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 3.44Å
282I95.1Very high91.8Very high1 Ų143.2 Ų43.21%0.00523%0.229CC..Hα-helixtrans-57.7-48.8178.4-68.8163.2000110.4L141 L143 P236 I239 I243 T278 V279 S284 L285 L286L141-I282 HydrophobicContact CD2-CG2 4.45Å; L143-I282 HydrophobicContact CD1-CG2 4.39Å; P236-I282 HydrophobicContact CB-CD1 3.95Å; I239-I282 HydrophobicContact CB-CD1 3.75Å; I239-I282 HydrophobicContact CB-CG1 4.31Å; I239-I282 HydrophobicContact CG1-CD1 4.41Å; I239-I282 HydrophobicContact CG2-CD1 3.83Å; I239-I282 HydrophobicContact CG2-CG1 3.81Å; I239-I282 HydrophobicContact CG2-CG2 4.36Å; I243-I282 HydrophobicContact CD1-CG1 4.38Å; T278-I282 HydrophobicContact CG2-CD1 3.99Å; T278-I282 WeakPolarHBondContact O-CD1 3.35Å; T278-I282 VanDerWaalsContact O-CG1 3.23Å; T278-I282 WeakPolarHBondContact O-CG1 3.05Å; T278-I282 PolarHBondContact O-N 2.87Å; V279-I282 PolarHBondContact O-N 2.83Å; I282-S284 VanDerWaalsContact C-N 3.3Å; I282-S284 PolarHBondContact O-N 3.38Å; I282-L285 PolarHBondContact O-N 3.42Å; I282-L285 VanDerWaalsContact O-N 3.09Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.39Å
283V95.5Very high90.6Very high2 Ų246.6 Ų46.61%0.01225%0.252CS..Hα-helixtrans-61-38.6-179.5174.30000111.8L263 I265 V279 Q280 Q281 L285 L286 L330 E333L263-V283 HydrophobicContact CD2-CG2 3.94Å; I265-V283 HydrophobicContact CD1-CG2 4.35Å; V279-V283 HydrophobicContact CG1-CG2 4.48Å; V279-V283 WeakPolarHBondContact O-CG2 3.43Å; V279-V283 PolarHBondContact O-N 3.49Å; Q280-V283 PolarHBondContact O-N 3.17Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.31Å; V283-L285 VanDerWaalsContact C-N 3.26Å; V283-L285 PolarHBondContact O-N 3.09Å; V283-L286 WeakPolarHBondContact O-CB 3.38Å; V283-L286 PolarHBondContact O-N 2.73Å; V283-L330 HydrophobicContact CB-CD1 4.08Å; V283-L330 HydrophobicContact CG1-CD1 4.06Å; V283-L330 HydrophobicContact CG2-CD1 4.11Å; V283-L330 HydrophobicContact CG2-CD2 4.43Å; V283-E333 HydrophobicContact CG1-CB 3.69Å; V283-E333 HydrophobicContact CG1-CG 4.14Å
284S92.6Very high89.4Confident45 Ų4548.6 Ų48.632%0.31527%0.265SS..Hα-helixtrans-64.8-28.2176.877.80000113.6Q280 Q281 I282 Q288 R311Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.11Å; Q281-S284 PolarHBondContact O-N 3.47Å; Q281-S284 PolarHBondContact O-OG 3.3Å; I282-S284 VanDerWaalsContact C-N 3.3Å; I282-S284 PolarHBondContact O-N 3.38Å; S284-Q288 PolarHBondContact O-NE2 2.83Å; S284-R311 PolarHBondContact O-NH2 3.25Å
285L92.2Very high88.2Confident52 Ų5250.3 Ų50.327%0.27227%0.272SS..Hα-helixtrans-85.2-12.8179-67.1172.9000113.4I243 I257 Q281 I282 V283 Q288I243-L285 HydrophobicContact CD1-CD1 3.81Å; I257-L285 HydrophobicContact CD1-CB 4.11Å; I257-L285 WeakPolarHBondContact CD1-O 3.48Å; Q281-L285 HydrophobicContact CG-CD1 4.24Å; Q281-L285 WeakPolarHBondContact O-CG 3.21Å; Q281-L285 PolarHBondContact O-N 3.44Å; I282-L285 PolarHBondContact O-N 3.42Å; I282-L285 VanDerWaalsContact O-N 3.09Å; V283-L285 VanDerWaalsContact C-N 3.26Å; V283-L285 PolarHBondContact O-N 3.09Å; L285-Q288 VanDerWaalsContact O-CG 3.26Å; L285-Q288 WeakPolarHBondContact O-CG 3.41Å
286L95Very high86.9Confident0 Ų051.3 Ų51.30%029%0.293CS..THydrogen-bonded Turntrans-67.3147.8-179.8-67-178.9000112.5L141 I257 I260 L263 I282 V283 Q288L141-L286 HydrophobicContact CD2-CD2 3.95Å; I257-L286 HydrophobicContact CB-CD2 3.93Å; I257-L286 HydrophobicContact CG2-CD2 4.04Å; I260-L286 HydrophobicContact CB-CD2 4.41Å; I260-L286 HydrophobicContact CG1-CD2 3.96Å; L263-L286 HydrophobicContact CD1-CD1 4.17Å; L263-L286 HydrophobicContact CD2-CD1 3.72Å; L263-L286 HydrophobicContact CG-CD1 4.39Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 3.39Å; V283-L286 WeakPolarHBondContact O-CB 3.38Å; V283-L286 PolarHBondContact O-N 2.73Å; L286-Q288 PolarHBondContact O-N 2.99Å
287N93.8Very high86.2Confident14 Ų1452.7 Ų52.78%0.07530%0.303CS..THydrogen-bonded Turntrans60.520.5175.4-54.5100.1000115.2I257 I260 R311 R314I257-N287 PolarHBondContact O-N 2.81Å; I260-N287 PolarHBondContact O-ND2 2.8Å; N287-R311 HydrophobicContact CB-CG 3.94Å; N287-R314 WeakPolarHBondContact OD1-CD 3.47Å; N287-R314 PolarHBondContact OD1-NH1 3.21Å
288Q88.8Confident85.7Confident92 Ų9252.3 Ų52.343%0.4330%0.3SS..PPolyproline II helixtrans-70.7151.4168.9-60-62.5-15.100110.5S284 L285 L286S284-Q288 PolarHBondContact O-NE2 2.83Å; L285-Q288 VanDerWaalsContact O-CG 3.26Å; L285-Q288 WeakPolarHBondContact O-CG 3.41Å; L286-Q288 PolarHBondContact O-N 2.99Å
289R86.6Confident85.4Confident150 Ų15053.6 Ų53.657%0.56631%0.312SS*.PPolyproline II helixtrans-67.3132.3173.4-68.1-176.2-173.9155.35.3109.2L306 A307R289-L306 PolarHBondContact NE-O 2.83Å; R289-L306 PolarHBondContact NH2-O 2.9Å; R289-A307 PolarHBondContact NH2-O 2.96Å
290P84.8Confident85.1Confident22 Ų2253.7 Ų53.714%0.14331%0.313CS..PPolyproline II helixtrans-64.7139.3175.827.7-33.7000110.1F135 Q254F135-P290 HydrophobicContact CB-CG 4.04Å; F135-P290 HydrophobicContact CD1-CG 3.55Å; F135-P290 HydrophobicContact CD2-CG 4.31Å; F135-P290 HydrophobicContact CE1-CG 4.02Å; F135-P290 HydrophobicContact CG-CG 3.72Å; Q254-P290 HydrophobicContact CG-CB 4.22Å
291T80.7Confident85Confident103 Ų10350.7 Ų50.763%0.63230%0.299SS*.SBendtrans-76-31.6174.956.30000111.3Q254Q254-T291 PolarHBondContact NE2-OG1 3.05Å
292V76.3Confident85Confident62 Ų6248.2 Ų48.238%0.37629%0.286SS..SBendtrans-106.6113.3177.9-172.50000108.6Q254 V294Q254-V292 PolarHBondContact OE1-O 2.82Å; V292-V294 HydrophobicContact CB-CG2 4.23Å; V292-V294 HydrophobicContact CG1-CG2 3.64Å; V292-V294 PolarHBondContact O-N 2.99Å
293P69.8Low84.9Confident90 Ų9051.8 Ų51.858%0.58431%0.305SS*.  trans-7388.8178.829-33.5000110.7F295P293-F295 HydrophobicContact CB-CD1 4.19Å; P293-F295 HydrophobicContact CB-CE1 3.41Å; P293-F295 VanDerWaalsContact CB-CE1 3.41Å; P293-F295 HydrophobicContact CB-CE2 4.33Å; P293-F295 HydrophobicContact CB-CZ 3.5Å
294V69.9Low84.8Confident49 Ų4952 Ų5230%0.29731%0.306SS..  trans-10463.8173.9-162.50000110.2Y255 V292Y255-V294 WeakPolarHBondContact OH-CG1 3.44Å; V292-V294 HydrophobicContact CB-CG2 4.23Å; V292-V294 HydrophobicContact CG1-CG2 3.64Å; V292-V294 PolarHBondContact O-N 2.99Å
295F68.6Low84.8Confident72 Ų7250.4 Ų50.432%0.31629%0.294SS..  trans-127.7149.1176.946.2-106.7000111.7F135 P293 A298 I301F135-F295 HydrophobicContact CD1-CD1 4.19Å; F135-F295 HydrophobicContact CD1-CE1 4.35Å; P293-F295 HydrophobicContact CB-CD1 4.19Å; P293-F295 HydrophobicContact CB-CE1 3.41Å; P293-F295 VanDerWaalsContact CB-CE1 3.41Å; P293-F295 HydrophobicContact CB-CE2 4.33Å; P293-F295 HydrophobicContact CB-CZ 3.5Å; F295-A298 HydrophobicContact CD2-CB 4.24Å; F295-A298 HydrophobicContact CE2-CB 3.59Å; F295-A298 HydrophobicContact CZ-CB 4.24Å; F295-I301 HydrophobicContact CB-CD1 4.12Å; F295-I301 HydrophobicContact CD1-CD1 3.71Å; F295-I301 HydrophobicContact CD2-CD1 4.02Å; F295-I301 HydrophobicContact CE1-CD1 4.08Å; F295-I301 HydrophobicContact CE2-CD1 4.4Å; F295-I301 HydrophobicContact CG-CD1 3.67Å; F295-I301 HydrophobicContact CZ-CD1 4.4Å
296A65.7Low84.7Confident109 Ų10950.8 Ų50.890%0.90130%0.296SS*.SBendtrans-73.9-31.9-176.600000113.1
297S80.8Confident84.6Confident38 Ų3852.2 Ų52.227%0.26631%0.308SS..  trans-154.5109.8179.2178.70000111.9A299 R300S297-A299 PolarHBondContact O-N 3.48Å; S297-R300 PolarHBondContact O-N 3.29Å
298A83.6Confident84.5Confident49 Ų4953.3 Ų53.341%0.40532%0.322SS..G310 helixtrans-58.5-31173.700000112.6R131 F295 R300 I301R131-A298 PolarHBondContact NH1-O 2.77Å; R131-A298 VanDerWaalsContact NH1-O 3.15Å; F295-A298 HydrophobicContact CD2-CB 4.24Å; F295-A298 HydrophobicContact CE2-CB 3.59Å; F295-A298 HydrophobicContact CZ-CB 4.24Å; A298-R300 PolarHBondContact O-N 2.97Å; A298-I301 PolarHBondContact O-N 3.12Å
299A88.5Confident84.7Confident40 Ų4052.6 Ų52.633%0.33132%0.316SS..G310 helixtrans-66.9-18.9-178.200000113R131 S297R131-A299 WeakPolarHBondContact CG-O 3.29Å; R131-A299 VanDerWaalsContact CZ-O 3.31Å; R131-A299 PolarHBondContact NH1-O 3.34Å; S297-A299 PolarHBondContact O-N 3.48Å
300R91.5Very high85.1Confident3 Ų345.6 Ų45.61%0.01129%0.29CS..G310 helixtrans-98.4-6.8179.4-63.7-66.4-61.3-82.4-11.4113.5N118 E121 L130 R131 D132 Q133 S297 A298N118-R300 PolarHBondContact OD1-NH1 3.39Å; N118-R300 PolarHBondContact OD1-NH2 2.82Å; E121-R300 IonicContact OE2-CZ 2.62Å; E121-R300 IonicContact OE2-NH1 3.85Å; E121-R300 PolarHBondContact OE2-NH1 2.81Å; L130-R300 PolarHBondContact O-NE 3.27Å; R131-R300 CarbonylContact C-O 2.99Å; R131-R300 WeakPolarHBondContact CA-O 3.07Å; D132-R300 VanDerWaalsContact CG-NH2 3.27Å; D132-R300 PolarHBondContact N-O 3.16Å; D132-R300 IonicContact OD1-CZ 3.04Å; D132-R300 IonicContact OD1-NE 2.68Å; D132-R300 PolarHBondContact OD1-NE 2.79Å; D132-R300 IonicContact OD1-NH2 3.78Å; D132-R300 PolarHBondContact OD1-NH2 3.44Å; D132-R300 IonicContact OD2-NH2 3.1Å; D132-R300 PolarHBondContact OD2-NH2 2.77Å; Q133-R300 HydrophobicContact CB-CB 4.43Å; Q133-R300 HydrophobicContact CG-CB 4.25Å; Q133-R300 PolarHBondContact N-O 3.18Å; S297-R300 PolarHBondContact O-N 3.29Å; A298-R300 PolarHBondContact O-N 2.97Å
301I92Very high85.5Confident1 Ų147.1 Ų47.11%0.00529%0.293CS..BIsolated β-bridgetrans-74.3135.4177.4-56.7178.1000109.2R131 Q133 F135 F295 A298 L303 Y305 L306R131-I301 WeakPolarHBondContact CD-O 3.45Å; R131-I301 WeakPolarHBondContact CG-O 3.48Å; R131-I301 PolarHBondContact NH1-O 3.29Å; Q133-I301 WeakPolarHBondContact O-CA 3.5Å; F135-I301 HydrophobicContact CD1-CD1 3.86Å; F135-I301 HydrophobicContact CD1-CG2 4.45Å; F135-I301 HydrophobicContact CE1-CD1 4.26Å; F135-I301 HydrophobicContact CE1-CG2 4.33Å; F295-I301 HydrophobicContact CB-CD1 4.12Å; F295-I301 HydrophobicContact CD1-CD1 3.71Å; F295-I301 HydrophobicContact CD2-CD1 4.02Å; F295-I301 HydrophobicContact CE1-CD1 4.08Å; F295-I301 HydrophobicContact CE2-CD1 4.4Å; F295-I301 HydrophobicContact CG-CD1 3.67Å; F295-I301 HydrophobicContact CZ-CD1 4.4Å; A298-I301 PolarHBondContact O-N 3.12Å; I301-L303 PolarHBondContact O-N 2.64Å; I301-Y305 HydrophobicContact CG2-CD2 4.44Å; I301-L306 HydrophobicContact CB-CD1 4.35Å; I301-L306 HydrophobicContact CB-CD2 4.25Å; I301-L306 HydrophobicContact CB-CG 4.23Å; I301-L306 HydrophobicContact CD1-CD2 4.4Å; I301-L306 HydrophobicContact CG2-CD1 4.49Å; I301-L306 HydrophobicContact CG2-CD2 3.91Å; I301-L306 HydrophobicContact CG2-CG 3.86Å
302R92.7Very high86.1Confident19 Ų1944.5 Ų44.57%0.07227%0.272CS..  trans-58.3136.4175.9-60.9-169.9-177.5-79-1.9111.4F18 R131 Q133 C304 Y305 L306F18-R302 VanDerWaalsContact CB-CZ 3.49Å; F18-R302 PolarHBondContact O-NH1 2.89Å; R131-R302 PolarHBondContact O-NH1 2.71Å; R131-R302 VanDerWaalsContact O-NH1 3.16Å; Q133-R302 PolarHBondContact O-N 3.26Å; R302-C304 VanDerWaalsContact C-N 3.25Å; R302-C304 PolarHBondContact O-N 2.9Å; R302-Y305 HydrophobicContact CB-CD2 3.68Å; R302-Y305 HydrophobicContact CB-CE2 3.82Å; R302-Y305 HydrophobicContact CB-CG 4.11Å; R302-Y305 HydrophobicContact CG-CD2 4.15Å; R302-Y305 HydrophobicContact CG-CE2 3.82Å; R302-Y305 PolarHBondContact O-N 3.37Å; R302-L306 PolarHBondContact O-N 2.79Å
303L93Very high87.1Confident75 Ų7541.7 Ų41.739%0.39325%0.254SS..Hα-helixtrans-59.7-35.8-179.6-67.9177.5000112.2Y22 I301 Y305 L306 A307Y22-L303 HydrophobicContact CD1-CB 4.25Å; Y22-L303 HydrophobicContact CE1-CB 4.03Å; I301-L303 PolarHBondContact O-N 2.64Å; L303-Y305 VanDerWaalsContact C-N 3.26Å; L303-Y305 PolarHBondContact O-N 3.06Å; L303-L306 HydrophobicContact CD2-CD1 4.4Å; L303-L306 PolarHBondContact O-N 3.22Å; L303-A307 WeakPolarHBondContact O-CB 3.22Å; L303-A307 PolarHBondContact O-N 3.43Å
304C93.1Very high88.4Confident7 Ų737.5 Ų37.55%0.04723%0.227CC..Hα-helixtrans-59.1-36.4176.558.30000112.8Y22 R302 A307 G308 Y309 Y313Y22-C304 HydrophobicContact CD1-CB 4.4Å; Y22-C304 HydrophobicContact CG-CB 4.38Å; R302-C304 VanDerWaalsContact C-N 3.25Å; R302-C304 PolarHBondContact O-N 2.9Å; C304-A307 PolarHBondContact O-N 3.3Å; C304-G308 PolarHBondContact O-N 3.4Å; C304-G308 VanDerWaalsContact O-N 3.12Å; C304-Y309 WeakPolarHBondContact O-CA 3.5Å; C304-Y309 PolarHBondContact O-N 3.41Å; C304-Y313 HydrophobicContact CB-CD2 3.82Å; C304-Y313 HydrophobicContact CB-CE2 3.32Å
305Y92.9Very high89.7Confident11 Ų1135.1 Ų35.14%0.04321%0.213CC..Hα-helixtrans-73.9-43.3178.9-54.9-22000111E261 I301 R302 L303 A307 G308E261-Y305 VanDerWaalsContact CG-OH 3.32Å; E261-Y305 WeakPolarHBondContact CG-OH 3.36Å; E261-Y305 PolarHBondContact OE1-OH 3.09Å; I301-Y305 HydrophobicContact CG2-CD2 4.44Å; R302-Y305 HydrophobicContact CB-CD2 3.68Å; R302-Y305 HydrophobicContact CB-CE2 3.82Å; R302-Y305 HydrophobicContact CB-CG 4.11Å; R302-Y305 HydrophobicContact CG-CD2 4.15Å; R302-Y305 HydrophobicContact CG-CE2 3.82Å; R302-Y305 PolarHBondContact O-N 3.37Å; L303-Y305 VanDerWaalsContact C-N 3.26Å; L303-Y305 PolarHBondContact O-N 3.06Å; Y305-A307 VanDerWaalsContact C-N 3.27Å; Y305-A307 PolarHBondContact O-N 2.79Å; Y305-G308 PolarHBondContact O-N 3.12Å; Y305-G308 VanDerWaalsContact O-N 3.09Å
306L91.3Very high91.1Very high61 Ų6131.8 Ų31.832%0.31920%0.198SC..Hα-helixtrans-60.8-38.4172.6-64.2176.1000111.5F135 R289 I301 R302 L303 G308F135-L306 HydrophobicContact CE1-CD2 3.88Å; F135-L306 HydrophobicContact CZ-CD2 4.29Å; R289-L306 PolarHBondContact NE-O 2.83Å; R289-L306 PolarHBondContact NH2-O 2.9Å; I301-L306 HydrophobicContact CB-CD1 4.35Å; I301-L306 HydrophobicContact CB-CD2 4.25Å; I301-L306 HydrophobicContact CB-CG 4.23Å; I301-L306 HydrophobicContact CD1-CD2 4.4Å; I301-L306 HydrophobicContact CG2-CD1 4.49Å; I301-L306 HydrophobicContact CG2-CD2 3.91Å; I301-L306 HydrophobicContact CG2-CG 3.86Å; R302-L306 PolarHBondContact O-N 2.79Å; L303-L306 HydrophobicContact CD2-CD1 4.4Å; L303-L306 PolarHBondContact O-N 3.22Å; L306-G308 PolarHBondContact O-N 2.94Å
307A92.3Very high92.6Very high30 Ų3026.6 Ų26.625%0.24816%0.155CC..Hα-helixtrans-75-9.2177.100000113.4Y22 R289 L303 C304 Y305 Y309Y22-A307 HydrophobicContact CD1-CB 4.44Å; Y22-A307 HydrophobicContact CD2-CB 4.15Å; Y22-A307 HydrophobicContact CE1-CB 4.2Å; Y22-A307 HydrophobicContact CE2-CB 3.86Å; Y22-A307 HydrophobicContact CG-CB 4.43Å; R289-A307 PolarHBondContact NH2-O 2.96Å; L303-A307 WeakPolarHBondContact O-CB 3.22Å; L303-A307 PolarHBondContact O-N 3.43Å; C304-A307 PolarHBondContact O-N 3.3Å; Y305-A307 VanDerWaalsContact C-N 3.27Å; Y305-A307 PolarHBondContact O-N 2.79Å; A307-Y309 HydrophobicContact CB-CD2 3.63Å; A307-Y309 HydrophobicContact CB-CE2 3.99Å
308G91.8Very high93.4Very high36 Ų3624.8 Ų24.837%0.37114%0.142SC..THydrogen-bonded Turntrans85.212.217800000114.5C304 Y305 L306 G310C304-G308 PolarHBondContact O-N 3.4Å; C304-G308 VanDerWaalsContact O-N 3.12Å; Y305-G308 PolarHBondContact O-N 3.12Å; Y305-G308 VanDerWaalsContact O-N 3.09Å; L306-G308 PolarHBondContact O-N 2.94Å; G308-G310 VanDerWaalsContact C-N 3.32Å
309Y93.8Very high94Very high78 Ų7822.4 Ų22.431%0.30612%0.123SC..  trans-92.118.2177.4-65.3-73.7000113.1Y22 K26 C304 A307 R311 R312 Y313Y22-Y309 AromaticContact CD2-CD2 3.3Å; Y22-Y309 HydrophobicContact CD2-CD2 3.3Å; Y22-Y309 AromaticContact CD2-CE2 3.39Å; Y22-Y309 HydrophobicContact CD2-CE2 3.39Å; Y22-Y309 HydrophobicContact CD2-CG 4.28Å; Y22-Y309 AromaticContact CE2-CD2 3.96Å; Y22-Y309 HydrophobicContact CE2-CD2 3.96Å; Y22-Y309 AromaticContact CE2-CE2 3.7Å; Y22-Y309 HydrophobicContact CE2-CE2 3.7Å; Y22-Y309 AromaticContact CG-CD2 3.94Å; Y22-Y309 HydrophobicContact CG-CD2 3.94Å; Y22-Y309 HydrophobicContact CG-CE2 4.44Å; K26-Y309 HydrophobicContact CB-CD1 4.11Å; K26-Y309 HydrophobicContact CB-CE1 3.56Å; K26-Y309 HydrophobicContact CB-CE2 4.25Å; C304-Y309 WeakPolarHBondContact O-CA 3.5Å; C304-Y309 PolarHBondContact O-N 3.41Å; A307-Y309 HydrophobicContact CB-CD2 3.63Å; A307-Y309 HydrophobicContact CB-CE2 3.99Å; Y309-R311 PolarHBondContact O-N 2.99Å; Y309-R311 VanDerWaalsContact O-N 3.16Å; Y309-R312 HydrophobicContact CD1-CG 4.29Å; Y309-R312 WeakPolarHBondContact O-CB 3.35Å; Y309-R312 PolarHBondContact O-N 3.47Å; Y309-Y313 WeakPolarHBondContact O-CD2 3.1Å
310G93.6Very high94.3Very high3 Ų320.5 Ų20.53%0.03111%0.107CC..G310 helixtrans-55.6-34.4-178.600000113.6G308 R312 Y313 R314G308-G310 VanDerWaalsContact C-N 3.32Å; G310-R312 VanDerWaalsContact C-N 3.26Å; G310-R312 PolarHBondContact O-N 3.08Å; G310-Y313 PolarHBondContact O-N 3.04Å; G310-Y313 VanDerWaalsContact O-N 3.09Å; G310-R314 PolarHBondContact O-N 2.67Å
311R93.8Very high94.1Very high53 Ų5321.1 Ų21.120%0.211%0.113CC..G310 helixtrans-57.8-34.6174.9-64.4-179.6174.3-159.9-5.7113.4S284 N287 Y309 Y313 R314 E333S284-R311 PolarHBondContact O-NH2 3.25Å; N287-R311 HydrophobicContact CB-CG 3.94Å; Y309-R311 PolarHBondContact O-N 2.99Å; Y309-R311 VanDerWaalsContact O-N 3.16Å; R311-Y313 VanDerWaalsContact C-N 3.27Å; R311-Y313 PolarHBondContact O-N 2.99Å; R311-R314 PolarHBondContact O-N 2.72Å; R311-E333 IonicContact NH1-OE2 3.33Å
312R94.2Very high94Very high48 Ų4821.3 Ų21.318%0.18111%0.114CC..G310 helixtrans-68-25.4178.3-64.1-66.1-140.3-157.912.6113.2V25 K26 Q28 Y309 G310 E335 N336 F337V25-R312 PolarHBondContact O-NE 2.96Å; K26-R312 PolarHBondContact O-NH2 3.18Å; Q28-R312 PolarHBondContact O-NH2 3.33Å; Y309-R312 HydrophobicContact CD1-CG 4.29Å; Y309-R312 WeakPolarHBondContact O-CB 3.35Å; Y309-R312 PolarHBondContact O-N 3.47Å; G310-R312 VanDerWaalsContact C-N 3.26Å; G310-R312 PolarHBondContact O-N 3.08Å; R312-E335 WeakPolarHBondContact CA-O 3.13Å; R312-E335 WeakPolarHBondContact CD-O 3.24Å; R312-E335 IonicContact CZ-OE2 3.97Å; R312-E335 IonicContact NE-OE2 3.44Å; R312-E335 IonicContact NH1-OE2 3.75Å; R312-E335 PolarHBondContact NH1-OE2 3.37Å; R312-E335 VanDerWaalsContact NH1-OE2 3.15Å; R312-N336 WeakPolarHBondContact O-CA 3.36Å; R312-F337 WeakPolarHBondContact O-CD1 3.41Å; R312-F337 PolarHBondContact O-N 3.18Å; R312-F337 VanDerWaalsContact O-N 3.13Å
313Y95.7Very high93.7Very high3 Ų320.7 Ų20.71%0.01211%0.113CC..G310 helixtrans-103.80.5-178.5-66.7-100000112.5H17 F18 I20 Y22 V25 C304 Y309 G310 R311 F337H17-Y313 PolarHBondContact NE2-O 3.01Å; H17-Y313 VanDerWaalsContact NE2-O 3.07Å; H17-Y313 WeakPolarHBondContact O-CE1 3.32Å; F18-Y313 HydrophobicContact CD1-CD1 4.31Å; I20-Y313 PolarHBondContact O-OH 2.97Å; Y22-Y313 WeakPolarHBondContact CA-OH 3.26Å; Y22-Y313 PolarHBondContact N-OH 3.01Å; Y22-Y313 VanDerWaalsContact N-OH 3.17Å; V25-Y313 HydrophobicContact CG2-CE2 4.12Å; C304-Y313 HydrophobicContact CB-CD2 3.82Å; C304-Y313 HydrophobicContact CB-CE2 3.32Å; Y309-Y313 WeakPolarHBondContact O-CD2 3.1Å; G310-Y313 PolarHBondContact O-N 3.04Å; G310-Y313 VanDerWaalsContact O-N 3.09Å; R311-Y313 VanDerWaalsContact C-N 3.27Å; R311-Y313 PolarHBondContact O-N 2.99Å; Y313-F337 HydrophobicContact CD1-CD1 4.41Å; Y313-F337 AromaticContact CD1-CE1 3.61Å; Y313-F337 HydrophobicContact CD1-CE1 3.61Å; Y313-F337 HydrophobicContact CD1-CZ 4.49Å; Y313-F337 HydrophobicContact CE1-CD1 4.47Å; Y313-F337 AromaticContact CE1-CE1 3.73Å; Y313-F337 HydrophobicContact CE1-CE1 3.73Å; Y313-F337 HydrophobicContact CE1-CZ 4.44Å; Y313-F337 HydrophobicContact CG-CE1 4.14Å
314R96.9Very high93.4Very high2 Ų218 Ų181%0.00810%0.099CC..  trans-84118.6176.3-178.1-174.668.2-148.36.8108.9I260 E261 L263 N287 G310 R311 E333I260-R314 HydrophobicContact CG2-CG 4.4Å; E261-R314 CarbonylContact O-C 3.5Å; E261-R314 WeakPolarHBondContact O-CA 3.33Å; L263-R314 HydrophobicContact CB-CG 4.39Å; N287-R314 WeakPolarHBondContact OD1-CD 3.47Å; N287-R314 PolarHBondContact OD1-NH1 3.21Å; G310-R314 PolarHBondContact O-N 2.67Å; R311-R314 PolarHBondContact O-N 2.72Å; R314-E333 PolarHBondContact NH2-O 2.8Å
315Q97.6Very high93.1Very high0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-78.6131.2165.8-173.3-177.321.600110I77 Y80 E81 D82 H102 E261 L262 L263 L317I77-Q315 PolarHBondContact O-NE2 3.39Å; Y80-Q315 HydrophobicContact CD1-CB 4.35Å; E81-Q315 WeakPolarHBondContact O-CG 3.5Å; E81-Q315 PolarHBondContact O-NE2 2.86Å; D82-Q315 VanDerWaalsContact OD1-CA 3.26Å; D82-Q315 WeakPolarHBondContact OD1-CA 3.3Å; H102-Q315 PolarHBondContact NE2-OE1 3.01Å; E261-Q315 PolarHBondContact O-N 3.25Å; L262-Q315 WeakPolarHBondContact CA-O 3.48Å; L262-Q315 HydrophobicContact CD1-CB 4Å; L262-Q315 HydrophobicContact CD1-CG 4.14Å; L263-Q315 PolarHBondContact N-O 2.96Å; Q315-L317 HydrophobicContact CG-CD2 4.08Å; Q315-L317 HydrophobicContact CG-CG 4.33Å
316T97.9Very high92.8Very high1 Ų124.6 Ų24.61%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-114.9119.4176-51.40000110.2D82 V83 F84 L263 C334D82-T316 WeakPolarHBondContact CA-O 3.41Å; D82-T316 PolarHBondContact OD1-N 3.41Å; V83-T316 PolarHBondContact N-O 3.49Å; F84-T316 HydrophobicContact CE2-CG2 4.44Å; L263-T316 HydrophobicContact CD2-CG2 3.93Å; L263-T316 HydrophobicContact CG-CG2 4.32Å; L263-T316 CarbonylContact O-C 3.51Å; L263-T316 WeakPolarHBondContact O-CA 3.28Å; T316-C334 VanDerWaalsContact CB-SG 3.6Å
317L98.2Very high92.8Very high0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-113.7111.6175.8-55.8-178.9000108.9I77 V83 L262 L263 I264 I265 Q315 F319I77-L317 HydrophobicContact CG1-CD1 4.24Å; I77-L317 HydrophobicContact CG1-CD2 4.05Å; I77-L317 HydrophobicContact CG2-CD1 3.94Å; V83-L317 HydrophobicContact CB-CD2 3.78Å; V83-L317 HydrophobicContact CG2-CD2 3.88Å; V83-L317 CarbonylContact O-C 3.56Å; V83-L317 WeakPolarHBondContact O-CA 3.23Å; L262-L317 HydrophobicContact CD1-CD1 3.97Å; L262-L317 HydrophobicContact CD1-CG 4.15Å; L263-L317 PolarHBondContact O-N 3.16Å; I264-L317 CarbonylContact C-O 3.55Å; I264-L317 VanDerWaalsContact CA-O 3.32Å; I264-L317 WeakPolarHBondContact CA-O 3.2Å; I264-L317 HydrophobicContact CG1-CB 4.19Å; I264-L317 HydrophobicContact CG1-CD1 4.15Å; I265-L317 PolarHBondContact N-O 3.03Å; Q315-L317 HydrophobicContact CG-CD2 4.08Å; Q315-L317 HydrophobicContact CG-CG 4.33Å; L317-F319 HydrophobicContact CB-CE2 3.74Å; L317-F319 HydrophobicContact CB-CZ 4.06Å
318L97.3Very high92.5Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-113.2125.3177.4-175.3151.7000109.8V83 F84 Y85 I265 W276 I327 L330V83-L318 PolarHBondContact O-N 3.19Å; F84-L318 HydrophobicContact CD1-CB 4.21Å; F84-L318 HydrophobicContact CD1-CD1 4.23Å; F84-L318 HydrophobicContact CD1-CD2 4.2Å; F84-L318 HydrophobicContact CD1-CG 4.45Å; F84-L318 HydrophobicContact CD2-CB 4.34Å; F84-L318 HydrophobicContact CE1-CB 4.27Å; F84-L318 HydrophobicContact CE1-CD1 3.82Å; F84-L318 HydrophobicContact CE1-CG 4.46Å; F84-L318 HydrophobicContact CE2-CB 4.38Å; F84-L318 HydrophobicContact CG-CB 4.24Å; F84-L318 HydrophobicContact CZ-CB 4.35Å; F84-L318 HydrophobicContact CZ-CD1 4.28Å; Y85-L318 PolarHBondContact N-O 3.43Å; I265-L318 HydrophobicContact CB-CB 4.45Å; I265-L318 HydrophobicContact CB-CD1 4.45Å; I265-L318 HydrophobicContact CB-CG 4.24Å; I265-L318 HydrophobicContact CD1-CD1 4.3Å; I265-L318 HydrophobicContact CG2-CD1 4.38Å; I265-L318 HydrophobicContact CG2-CG 4.35Å; I265-L318 WeakPolarHBondContact O-CA 3.5Å; W276-L318 HydrophobicContact CH2-CD1 4.14Å; L318-I327 HydrophobicContact CD1-CG2 3.94Å; L318-I327 HydrophobicContact CD2-CG2 3.44Å; L318-I327 VanDerWaalsContact CD2-CG2 3.44Å; L318-I327 HydrophobicContact CG-CG2 4.37Å; L318-L330 HydrophobicContact CD1-CD2 3.83Å
319F95.8Very high92.3Very high0 Ų025.9 Ų25.90%013%0.125CC..EExtended strand (participates in β ladder)trans-116.2123.2177.5-57-80.2000109.7I77 Y85 I95 Y99 I264 I265 Q267 G268 L317I77-F319 HydrophobicContact CD1-CZ 4.25Å; Y85-F319 HydrophobicContact CD1-CD1 4.1Å; Y85-F319 HydrophobicContact CG-CD1 4.18Å; Y85-F319 WeakPolarHBondContact O-CA 3.44Å; I95-F319 HydrophobicContact CG2-CD1 3.34Å; I95-F319 HydrophobicContact CG2-CE1 3.34Å; I95-F319 HydrophobicContact CG2-CG 4.06Å; I95-F319 HydrophobicContact CG2-CZ 4.05Å; Y99-F319 AromaticContact CD1-CD2 3.83Å; Y99-F319 HydrophobicContact CD1-CD2 3.83Å; Y99-F319 AromaticContact CD1-CE2 3.4Å; Y99-F319 HydrophobicContact CD1-CE2 3.4Å; Y99-F319 VanDerWaalsContact CD1-CE2 3.4Å; Y99-F319 AromaticContact CD1-CZ 3.86Å; Y99-F319 HydrophobicContact CD1-CZ 3.86Å; Y99-F319 HydrophobicContact CE1-CD2 4.13Å; Y99-F319 HydrophobicContact CE1-CE2 4.16Å; Y99-F319 AromaticContact CG-CE2 3.92Å; Y99-F319 HydrophobicContact CG-CE2 3.92Å; Y99-F319 HydrophobicContact CG-CZ 4.41Å; I264-F319 HydrophobicContact CG2-CD2 4.34Å; I264-F319 HydrophobicContact CG2-CE2 4.15Å; I265-F319 PolarHBondContact O-N 3.13Å; Q267-F319 PolarHBondContact N-O 2.87Å; G268-F319 PolarHBondContact N-O 3.29Å; L317-F319 HydrophobicContact CB-CE2 3.74Å; L317-F319 HydrophobicContact CB-CZ 4.06Å
320S93.9Very high92.2Very high0 Ų022.4 Ų22.40%011%0.111CC..  trans-143.8154.1176.3-171.30000113.1Y85 C86 H87 R88 E269 V322 I327Y85-S320 PolarHBondContact O-N 2.77Å; Y85-S320 VanDerWaalsContact O-O 3.08Å; C86-S320 CarbonylContact C-O 3.59Å; C86-S320 WeakPolarHBondContact CA-O 3.45Å; H87-S320 PolarHBondContact N-O 2.83Å; H87-S320 VanDerWaalsContact N-O 3.11Å; R88-S320 VanDerWaalsContact CB-O 3.28Å; R88-S320 WeakPolarHBondContact CB-O 3.43Å; R88-S320 PolarHBondContact N-O 3.31Å; E269-S320 PolarHBondContact N-OG 3.15Å; E269-S320 VanDerWaalsContact N-OG 3.11Å; E269-S320 WeakPolarHBondContact OE2-CA 3.35Å; E269-S320 PolarHBondContact OE2-OG 3.03Å; S320-V322 VanDerWaalsContact C-N 3.29Å; S320-V322 WeakPolarHBondContact CB-O 3.37Å; S320-V322 PolarHBondContact OG-N 3.44Å; S320-V322 PolarHBondContact OG-O 3.34Å; S320-I327 VanDerWaalsContact OG-CD1 3.3Å; S320-I327 WeakPolarHBondContact OG-CD1 3.32Å
321A89.4Confident91.9Very high15 Ų1523.8 Ų23.812%0.12412%0.121CC..SBendtrans-80.4-12.917200000112.9R88 E269 W583R88-A321 HydrophobicContact CB-CB 4.32Å; R88-A321 WeakPolarHBondContact O-CA 3.32Å; R88-A321 VanDerWaalsContact O-CB 3.23Å; R88-A321 WeakPolarHBondContact O-CB 3.09Å; E269-A321 HydrophobicContact CB-CB 4.41Å; E269-A321 HydrophobicContact CG-CB 3.91Å; E269-A321 PolarHBondContact OE2-N 3.3Å; A321-W583 HydrophobicContact CB-CH2 4.2Å
322V88.2Confident91.6Very high5 Ų524.1 Ų24.13%0.0314%0.14CC..SBendtrans-133159.1-175.2-54.60000110.3C86 E269 L272 S320 N324 I327 T580 F581 W583C86-V322 PolarHBondContact SG-O 2.88Å; C86-V322 VanDerWaalsContact SG-O 3.36Å; E269-V322 HydrophobicContact CB-CG1 4.41Å; E269-V322 HydrophobicContact CB-CG2 3.84Å; L272-V322 HydrophobicContact CD1-CG2 3.97Å; S320-V322 VanDerWaalsContact C-N 3.29Å; S320-V322 WeakPolarHBondContact CB-O 3.37Å; S320-V322 PolarHBondContact OG-N 3.44Å; S320-V322 PolarHBondContact OG-O 3.34Å; V322-N324 HydrophobicContact CG2-CB 4.49Å; V322-I327 HydrophobicContact CG2-CD1 4.15Å; V322-T580 HydrophobicContact CB-CG2 4.48Å; V322-T580 WeakPolarHBondContact CG1-O 3.4Å; V322-T580 HydrophobicContact CG2-CG2 3.86Å; V322-F581 HydrophobicContact CG1-CD1 3.83Å; V322-F581 HydrophobicContact CG1-CE1 4.2Å; V322-W583 HydrophobicContact CG1-CH2 3.95Å; V322-W583 HydrophobicContact CG1-CZ3 4.35Å
323S86.6Confident91.3Very high7 Ų725 Ų255%0.04915%0.147CC..  trans-114.174.6167.4-174.50000110.3T328 Y342S323-T328 PolarHBondContact OG-OG1 3.32Å; S323-Y342 WeakPolarHBondContact CB-OH 3.24Å; S323-Y342 PolarHBondContact OG-OH 2.9Å
324N87.8Confident91Very high18 Ų1825.9 Ų25.910%0.09615%0.153CC..  trans-68.9147.9169.5-170.2-67.5000109.2L272 V322 L326 I327 T328 T580L272-N324 HydrophobicContact CD1-CB 3.45Å; L272-N324 VanDerWaalsContact CD1-CB 3.45Å; L272-N324 HydrophobicContact CD2-CB 4.39Å; V322-N324 HydrophobicContact CG2-CB 4.49Å; N324-L326 PolarHBondContact O-N 3.45Å; N324-L326 WeakPolarHBondContact OD1-CB 3.43Å; N324-L326 PolarHBondContact OD1-N 3.28Å; N324-I327 WeakPolarHBondContact O-CB 3.45Å; N324-I327 PolarHBondContact O-N 2.82Å; N324-T328 PolarHBondContact O-N 3.23Å; N324-T328 PolarHBondContact O-OG1 3.31Å; N324-T580 HydrophobicContact CB-CG2 4.19Å; N324-T580 PolarHBondContact ND2-OG1 3.03Å
325F85.3Confident90.7Very high108 Ų10829 Ų2947%0.47417%0.168SC..Hα-helixtrans-57.8-32.1177.577.1-86.6000112.3I327 T328 L329 I610F325-I327 VanDerWaalsContact C-N 3.35Å; F325-I327 PolarHBondContact O-N 3.12Å; F325-T328 PolarHBondContact O-N 2.85Å; F325-L329 VanDerWaalsContact O-CB 3.25Å; F325-L329 WeakPolarHBondContact O-CB 2.99Å; F325-L329 PolarHBondContact O-N 3.16Å; F325-I610 HydrophobicContact CB-CG2 4.08Å
326L88.1Confident90.5Very high48 Ų4829.3 Ų29.325%0.25117%0.169SC..Hα-helixtrans-64.3-36.8175.8-69.7176.8000112.9L272 W276 N324 L330L272-L326 HydrophobicContact CD2-CB 3.86Å; L272-L326 HydrophobicContact CD2-CD1 4.03Å; W276-L326 HydrophobicContact CG-CB 4.35Å; W276-L326 HydrophobicContact CG-CD1 4.49Å; W276-L326 PolarHBondContact NE1-O 3.08Å; W276-L326 VanDerWaalsContact NE1-O 3.13Å; N324-L326 PolarHBondContact O-N 3.45Å; N324-L326 WeakPolarHBondContact OD1-CB 3.43Å; N324-L326 PolarHBondContact OD1-N 3.28Å; L326-L330 PolarHBondContact O-N 3.16Å
327I89.8Confident90.3Very high0 Ų029.6 Ų29.60%017%0.171CC..Hα-helixtrans-66.1-51.7172-73.2172.6000109F84 L272 W276 L318 S320 V322 N324 F325 L329 L330F84-I327 HydrophobicContact CD1-CG2 4.23Å; F84-I327 HydrophobicContact CE1-CG2 4.48Å; F84-I327 WeakPolarHBondContact CE1-O 3.3Å; L272-I327 HydrophobicContact CD1-CD1 3.61Å; L272-I327 HydrophobicContact CD1-CG1 4.02Å; L272-I327 HydrophobicContact CD2-CG1 4.28Å; L272-I327 HydrophobicContact CG-CD1 4.19Å; L272-I327 HydrophobicContact CG-CG1 4.23Å; W276-I327 HydrophobicContact CH2-CB 4.5Å; W276-I327 HydrophobicContact CH2-CG1 3.67Å; W276-I327 HydrophobicContact CZ2-CB 4.43Å; W276-I327 HydrophobicContact CZ2-CG1 3.94Å; W276-I327 HydrophobicContact CZ3-CG1 4.16Å; L318-I327 HydrophobicContact CD1-CG2 3.94Å; L318-I327 HydrophobicContact CD2-CG2 3.44Å; L318-I327 VanDerWaalsContact CD2-CG2 3.44Å; L318-I327 HydrophobicContact CG-CG2 4.37Å; S320-I327 VanDerWaalsContact OG-CD1 3.3Å; S320-I327 WeakPolarHBondContact OG-CD1 3.32Å; V322-I327 HydrophobicContact CG2-CD1 4.15Å; N324-I327 WeakPolarHBondContact O-CB 3.45Å; N324-I327 PolarHBondContact O-N 2.82Å; F325-I327 VanDerWaalsContact C-N 3.35Å; F325-I327 PolarHBondContact O-N 3.12Å; I327-L329 PolarHBondContact O-N 3.21Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.35Å; I327-L330 PolarHBondContact O-N 3.25Å; I327-L330 VanDerWaalsContact O-N 3.07Å
328T87.4Confident90Very high49 Ų4929.7 Ų29.730%0.30117%0.171SC..Hα-helixtrans-61.4-35.9-177.8-55.80000111.4S323 N324 F325 L330 S331S323-T328 PolarHBondContact OG-OG1 3.32Å; N324-T328 PolarHBondContact O-N 3.23Å; N324-T328 PolarHBondContact O-OG1 3.31Å; F325-T328 PolarHBondContact O-N 2.85Å; T328-L330 VanDerWaalsContact C-N 3.26Å; T328-L330 PolarHBondContact O-N 3.08Å; T328-S331 VanDerWaalsContact O-CB 3.28Å; T328-S331 WeakPolarHBondContact O-CB 3.44Å; T328-S331 PolarHBondContact O-N 3.01Å; T328-S331 VanDerWaalsContact O-N 3.12Å; T328-S331 PolarHBondContact O-OG 3.27Å
329L87.7Confident89.8Confident106 Ų10629.8 Ų29.856%0.55517%0.172SC*.Hα-helixtrans-64.1-29.6177.9-175.263.1000112.7F325 I327 S331 G332F325-L329 VanDerWaalsContact O-CB 3.25Å; F325-L329 WeakPolarHBondContact O-CB 2.99Å; F325-L329 PolarHBondContact O-N 3.16Å; I327-L329 PolarHBondContact O-N 3.21Å; L329-S331 PolarHBondContact O-N 3.41Å; L329-S331 VanDerWaalsContact O-N 3.16Å; L329-G332 PolarHBondContact O-N 2.99Å
330L90.9Very high89.7Confident4 Ų431.8 Ų31.82%0.02118%0.182CC..Hα-helixtrans-61.6-23.1176.1-164.870.3000112.3F84 I265 W276 Q280 V283 L318 L326 I327 T328 G332 E333F84-L330 HydrophobicContact CE1-CB 4.42Å; I265-L330 HydrophobicContact CD1-CD2 3.5Å; W276-L330 HydrophobicContact CH2-CD2 4.31Å; W276-L330 HydrophobicContact CZ2-CB 4.24Å; W276-L330 HydrophobicContact CZ2-CD2 4Å; Q280-L330 HydrophobicContact CG-CD1 4.29Å; V283-L330 HydrophobicContact CB-CD1 4.08Å; V283-L330 HydrophobicContact CG1-CD1 4.06Å; V283-L330 HydrophobicContact CG2-CD1 4.11Å; V283-L330 HydrophobicContact CG2-CD2 4.43Å; L318-L330 HydrophobicContact CD1-CD2 3.83Å; L326-L330 PolarHBondContact O-N 3.16Å; I327-L330 VanDerWaalsContact O-CB 3.28Å; I327-L330 WeakPolarHBondContact O-CB 3.35Å; I327-L330 PolarHBondContact O-N 3.25Å; I327-L330 VanDerWaalsContact O-N 3.07Å; T328-L330 VanDerWaalsContact C-N 3.26Å; T328-L330 PolarHBondContact O-N 3.08Å; L330-G332 PolarHBondContact O-N 3.09Å; L330-G332 VanDerWaalsContact O-N 3.15Å; L330-E333 PolarHBondContact O-N 3.49Å
331S87.3Confident89.7Confident33 Ų3331.8 Ų31.823%0.23118%0.182CC..G310 helixtrans-61.2-18.9172.469.60000113.7T328 L329 E333 C334 M340T328-S331 VanDerWaalsContact O-CB 3.28Å; T328-S331 WeakPolarHBondContact O-CB 3.44Å; T328-S331 PolarHBondContact O-N 3.01Å; T328-S331 VanDerWaalsContact O-N 3.12Å; T328-S331 PolarHBondContact O-OG 3.27Å; L329-S331 PolarHBondContact O-N 3.41Å; L329-S331 VanDerWaalsContact O-N 3.16Å; S331-E333 PolarHBondContact O-N 2.86Å; S331-C334 WeakPolarHBondContact O-CB 3.24Å; S331-C334 PolarHBondContact O-N 2.97Å; S331-C334 VanDerWaalsContact O-N 3.11Å; S331-M340 VanDerWaalsContact CB-SD 3.52Å
332G87.2Confident89.9Confident59 Ų5932.9 Ų32.961%0.60818%0.183SC*.G310 helixtrans-64.6-23.6171.400000113.6L329 L330L329-G332 PolarHBondContact O-N 2.99Å; L330-G332 PolarHBondContact O-N 3.09Å; L330-G332 VanDerWaalsContact O-N 3.15Å
333E88.2Confident90Very high67 Ų6732.7 Ų32.731%0.31318%0.182SC..G310 helixtrans-91.10.2175.1-60.4-64143.700112.7V283 R311 R314 L330 S331V283-E333 HydrophobicContact CG1-CB 3.69Å; V283-E333 HydrophobicContact CG1-CG 4.14Å; R311-E333 IonicContact NH1-OE2 3.33Å; R314-E333 PolarHBondContact NH2-O 2.8Å; L330-E333 PolarHBondContact O-N 3.49Å; S331-E333 PolarHBondContact O-N 2.86Å
334C88.6Confident89.9Confident22 Ų2233.1 Ų33.115%0.14918%0.184CC..  trans-96.5101.1-179.9-68.60000109.7D82 T316 S331D82-C334 VanDerWaalsContact OD2-CB 3.3Å; D82-C334 WeakPolarHBondContact OD2-CB 3.31Å; T316-C334 VanDerWaalsContact CB-SG 3.6Å; S331-C334 WeakPolarHBondContact O-CB 3.24Å; S331-C334 PolarHBondContact O-N 2.97Å; S331-C334 VanDerWaalsContact O-N 3.11Å
335E91.6Very high89.4Confident68 Ų6833.1 Ų33.132%0.31819%0.185SC..  trans-107.519.3-176.9-59.8-174.6-141.700113.7R312 F337R312-E335 WeakPolarHBondContact CA-O 3.13Å; R312-E335 WeakPolarHBondContact CD-O 3.24Å; R312-E335 IonicContact CZ-OE2 3.97Å; R312-E335 IonicContact NE-OE2 3.44Å; R312-E335 IonicContact NH1-OE2 3.75Å; R312-E335 PolarHBondContact NH1-OE2 3.37Å; R312-E335 VanDerWaalsContact NH1-OE2 3.15Å; E335-F337 PolarHBondContact O-N 2.91Å; E335-F337 VanDerWaalsContact O-N 3.17Å
336N94.5Very high88.2Confident6 Ų630.1 Ų30.13%0.03217%0.174CC..  trans-55.4121.6-177.3-176.9-12.2000111.6H17 Y80 D82 R312 Q338 G339H17-N336 PolarHBondContact CE1-OD1 3.17Å; Y80-N336 PolarHBondContact O-ND2 2.85Å; D82-N336 HydrophobicContact CB-CB 4.5Å; D82-N336 VanDerWaalsContact CG-CB 3.4Å; D82-N336 PolarHBondContact N-ND2 2.87Å; D82-N336 VanDerWaalsContact OD1-CB 3.32Å; D82-N336 WeakPolarHBondContact OD1-CB 3.32Å; D82-N336 PolarHBondContact OD1-ND2 2.94Å; D82-N336 VanDerWaalsContact OD2-CB 3.24Å; D82-N336 WeakPolarHBondContact OD2-CB 3.41Å; R312-N336 WeakPolarHBondContact O-CA 3.36Å; N336-Q338 PolarHBondContact O-N 2.87Å; N336-Q338 VanDerWaalsContact O-N 3.17Å; N336-Q338 PolarHBondContact OD1-N 3.23Å; N336-G339 PolarHBondContact O-N 3.49Å
337F93.6Very high86.3Confident7 Ų729.1 Ų29.13%0.03117%0.171CC..THydrogen-bonded Turntrans-66-18.8-17669.9-100.4000113.7H17 I20 V25 Q28 F53 R312 Y313 E335 G339H17-F337 AromaticContact CE1-CE1 3.48Å; H17-F337 VanDerWaalsContact CE1-CE1 3.48Å; H17-F337 WeakPolarHBondContact CE1-CE1 3.35Å; H17-F337 AromaticContact CE1-CZ 3.61Å; H17-F337 AromaticContact CG-CZ 3.91Å; H17-F337 AromaticContact ND1-CE1 3.8Å; H17-F337 AromaticContact ND1-CZ 3.42Å; H17-F337 WeakPolarHBondContact ND1-CZ 3.47Å; H17-F337 AromaticContact NE2-CE1 3.81Å; H17-F337 WeakPolarHBondContact O-CZ 3.49Å; I20-F337 HydrophobicContact CD1-CE2 3.6Å; I20-F337 HydrophobicContact CD1-CZ 3.87Å; V25-F337 HydrophobicContact CB-CB 3.76Å; V25-F337 HydrophobicContact CB-CD1 4.26Å; V25-F337 HydrophobicContact CB-CG 3.94Å; V25-F337 HydrophobicContact CG1-CB 3.95Å; V25-F337 HydrophobicContact CG1-CD1 4.23Å; V25-F337 HydrophobicContact CG1-CD2 3.81Å; V25-F337 HydrophobicContact CG1-CE2 4.41Å; V25-F337 HydrophobicContact CG1-CG 3.73Å; V25-F337 HydrophobicContact CG2-CB 4.47Å; V25-F337 HydrophobicContact CG2-CD1 4.17Å; V25-F337 HydrophobicContact CG2-CG 4.36Å; Q28-F337 PolarHBondContact NE2-O 3.14Å; Q28-F337 VanDerWaalsContact NE2-O 3.13Å; F53-F337 HydrophobicContact CE1-CD2 4.32Å; F53-F337 AromaticContact CE1-CE2 3.9Å; F53-F337 HydrophobicContact CE1-CE2 3.9Å; F53-F337 HydrophobicContact CE2-CD2 4.12Å; F53-F337 HydrophobicContact CE2-CE2 4.44Å; F53-F337 AromaticContact CZ-CD2 3.67Å; F53-F337 HydrophobicContact CZ-CD2 3.67Å; F53-F337 AromaticContact CZ-CE2 3.73Å; F53-F337 HydrophobicContact CZ-CE2 3.73Å; R312-F337 WeakPolarHBondContact O-CD1 3.41Å; R312-F337 PolarHBondContact O-N 3.18Å; R312-F337 VanDerWaalsContact O-N 3.13Å; Y313-F337 HydrophobicContact CD1-CD1 4.41Å; Y313-F337 AromaticContact CD1-CE1 3.61Å; Y313-F337 HydrophobicContact CD1-CE1 3.61Å; Y313-F337 HydrophobicContact CD1-CZ 4.49Å; Y313-F337 HydrophobicContact CE1-CD1 4.47Å; Y313-F337 AromaticContact CE1-CE1 3.73Å; Y313-F337 HydrophobicContact CE1-CE1 3.73Å; Y313-F337 HydrophobicContact CE1-CZ 4.44Å; Y313-F337 HydrophobicContact CG-CE1 4.14Å; E335-F337 PolarHBondContact O-N 2.91Å; E335-F337 VanDerWaalsContact O-N 3.17Å; F337-G339 PolarHBondContact O-N 2.81Å
338Q92Very high84.1Confident1 Ų133.4 Ų33.41%0.00519%0.191CC..THydrogen-bonded Turntrans-78.3-8.9173.9-67.2-167.3-400113.2H17 A48 F53 N79 Y80 E81 N336H17-Q338 VanDerWaalsContact ND1-CD 3.26Å; H17-Q338 PolarHBondContact ND1-NE2 2.95Å; A48-Q338 VanDerWaalsContact CA-O 3.22Å; A48-Q338 WeakPolarHBondContact CA-O 3.49Å; A48-Q338 WeakPolarHBondContact CB-O 3.48Å; F53-Q338 HydrophobicContact CD1-CG 4.39Å; F53-Q338 HydrophobicContact CD2-CB 4.4Å; F53-Q338 HydrophobicContact CD2-CG 4.19Å; F53-Q338 HydrophobicContact CE2-CG 4.38Å; F53-Q338 HydrophobicContact CG-CG 4.18Å; N79-Q338 VanDerWaalsContact C-OE1 3.3Å; N79-Q338 PolarHBondContact O-NE2 2.87Å; N79-Q338 PolarHBondContact O-OE1 3.15Å; Y80-Q338 PolarHBondContact O-OE1 3Å; Y80-Q338 VanDerWaalsContact O-OE1 3.09Å; E81-Q338 HydrophobicContact CG-CB 4.37Å; N336-Q338 PolarHBondContact O-N 2.87Å; N336-Q338 VanDerWaalsContact O-N 3.17Å; N336-Q338 PolarHBondContact OD1-N 3.23Å
339G92.8Very high82Confident2 Ų236.8 Ų36.82%0.02120%0.199CC..  trans91.1-177.3-179.100000113.6S47 D82 N336 F337S47-G339 WeakPolarHBondContact OG-CA 3.36Å; D82-G339 PolarHBondContact N-O 2.69Å; N336-G339 PolarHBondContact O-N 3.49Å; F337-G339 PolarHBondContact O-N 2.81Å
340M93.5Very high79.9Confident42 Ų4235.4 Ų35.421%0.20720%0.196CC..EExtended strand (participates in β ladder)trans-133.3143.8-171.7179.8-178.364.900110.5S46 S47 D82 F84 S331S46-M340 WeakPolarHBondContact CA-O 3.32Å; S47-M340 PolarHBondContact N-O 3.23Å; S47-M340 PolarHBondContact OG-N 2.84Å; S47-M340 PolarHBondContact OG-O 3.12Å; D82-M340 HydrophobicContact CB-CB 3.79Å; D82-M340 HydrophobicContact CB-CG 3.77Å; D82-M340 CarbonylContact O-C 3.59Å; D82-M340 WeakPolarHBondContact O-CA 3.46Å; F84-M340 HydrophobicContact CD2-CG 4.17Å; F84-M340 HydrophobicContact CD2-SD 3.65Å; F84-M340 HydrophobicContact CE2-SD 3.76Å; F84-M340 HydrophobicContact CG-SD 4.34Å; S331-M340 VanDerWaalsContact CB-SD 3.52Å
341N94.2Very high77.6Confident0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-110.2118.8172.1-57.4-80.7000109.3R45 S46 M76 E81 D82 V83 F84R45-N341 CarbonylContact O-C 3.49Å; R45-N341 WeakPolarHBondContact O-CA 3.17Å; S46-N341 WeakPolarHBondContact CB-OD1 3.24Å; S46-N341 PolarHBondContact OG-OD1 2.99Å; M76-N341 HydrophobicContact CE-CB 4.28Å; M76-N341 HydrophobicContact SD-CB 3.92Å; E81-N341 WeakPolarHBondContact CB-ND2 3.38Å; E81-N341 PolarHBondContact OE2-ND2 3.01Å; D82-N341 PolarHBondContact O-N 3.24Å; D82-N341 PolarHBondContact O-ND2 2.97Å; V83-N341 WeakPolarHBondContact CA-O 3.47Å; F84-N341 PolarHBondContact N-O 3.17Å
342Y92.8Very high75.6Confident39 Ų3944.1 Ų44.115%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-105.1118.3173.3173.5-113.2000110Y44 R45 F84 S323 P344Y44-Y342 WeakPolarHBondContact CA-O 3.31Å; Y44-Y342 WeakPolarHBondContact CB-O 3.29Å; R45-Y342 PolarHBondContact N-O 3.35Å; R45-Y342 PolarHBondContact O-N 2.9Å; F84-Y342 HydrophobicContact CB-CD2 3.86Å; S323-Y342 WeakPolarHBondContact CB-OH 3.24Å; S323-Y342 PolarHBondContact OG-OH 2.9Å; Y342-P344 HydrophobicContact CE1-CB 3.69Å; Y342-P344 HydrophobicContact CE1-CG 4.11Å; Y342-P344 WeakPolarHBondContact O-CD 3.45Å
343I91Very high73.3Confident1 Ų145.7 Ų45.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-114.993.5-178.8-55.1156.7000106.1I41 L73 V83 F84 Y85 C86I41-I343 HydrophobicContact CD1-CD1 4.22Å; I41-I343 HydrophobicContact CD1-CG1 4.43Å; L73-I343 HydrophobicContact CD1-CD1 4.23Å; V83-I343 HydrophobicContact CG1-CD1 4.1Å; F84-I343 PolarHBondContact O-N 2.99Å; Y85-I343 HydrophobicContact CD2-CB 4.36Å; Y85-I343 HydrophobicContact CD2-CD1 3.79Å; Y85-I343 HydrophobicContact CD2-CG2 4.19Å; Y85-I343 HydrophobicContact CE2-CG2 4.44Å; C86-I343 WeakPolarHBondContact CB-O 3.47Å; C86-I343 PolarHBondContact N-O 3.48Å
344P83.8Confident70.9Confident15 Ų1546.7 Ų46.710%0.09724%0.24CC..  trans-67.8166.6-178.428.4-34.6000112W43 Y342W43-P344 HydrophobicContact CD2-CG 4.35Å; W43-P344 VanDerWaalsContact CE2-CG 3.44Å; W43-P344 HydrophobicContact CZ2-CG 3.55Å; W43-P344 VanDerWaalsContact NE1-CG 3.28Å; Y342-P344 HydrophobicContact CE1-CB 3.69Å; Y342-P344 HydrophobicContact CE1-CG 4.11Å; Y342-P344 WeakPolarHBondContact O-CD 3.45Å
345P76.3Confident68.6Low19 Ų1947.4 Ų47.412%0.12324%0.244CC..SBendtrans-63.1150.8163.729.4-35000110.1C86 S347 M617C86-P345 WeakPolarHBondContact O-CA 3.45Å; P345-S347 PolarHBondContact O-N 2.72Å; P345-M617 HydrophobicContact CB-CE 4.35Å; P345-M617 HydrophobicContact CB-SD 4.36Å
346L62.2Low66.2Low44 Ų4450.5 Ų50.523%0.2326%0.257CS..SBendtrans-45.1132.3172-66157.8000110.3T355 L357 P358L346-T355 HydrophobicContact CD2-CG2 4.03Å; L346-L357 WeakPolarHBondContact O-CD2 3.47Å; L346-P358 HydrophobicContact CD1-CG 3.57Å
347S48Very low64Low27 Ų2750.9 Ų50.919%0.18926%0.259CS..  cis-1601602.4161.60000109.8P345 T355P345-S347 PolarHBondContact O-N 2.72Å; S347-T355 VanDerWaalsContact CB-OG1 3.31Å; S347-T355 WeakPolarHBondContact CB-OG1 3.29Å; S347-T355 WeakPolarHBondContact OG-CB 3.45Å; S347-T355 PolarHBondContact OG-OG1 3.21Å
348H42.8Very low62.1Low91 Ų9151.9 Ų51.942%0.42127%0.266SS..SBendtrans-129.1135.3145.8-98.9-58.5000110.5
349Y42.7Very low60.3Low120 Ų12054.7 Ų54.747%0.47130%0.295SS..  trans80.8115.2177.1-63.9-81.2000118.6C415Y349-C415 PolarHBondContact OH-SG 2.89Å
350P44Very low58.7Low77 Ų7761.2 Ų61.250%0.532%0.319SS..SBendtrans-79-10177.730.1-32.3000115.4
351D43.3Very low57.1Low108 Ų10859.2 Ų59.258%0.57831%0.309SS*.SBendtrans-87.3-26.1-159.9-58.6-41.9000115.7
352L43.7Very low55.7Low112 Ų11261.7 Ų61.759%0.58632%0.319SS*.SBendtrans-96-39.1-178.9-83.8153000113L460L352-L460 HydrophobicContact CD1-CD2 3.89Å
353Y40.4Very low54.4Low91 Ų9160 Ų6036%0.35731%0.312SS..SBendtrans-138.5130.8166.6-74.4-92.3000105.9V37 T355V37-Y353 HydrophobicContact CB-CD2 4.3Å; V37-Y353 HydrophobicContact CB-CE2 4.12Å; V37-Y353 HydrophobicContact CG1-CD2 3.41Å; V37-Y353 VanDerWaalsContact CG1-CD2 3.41Å; V37-Y353 HydrophobicContact CG1-CE2 3.49Å; V37-Y353 VanDerWaalsContact CG1-CE2 3.49Å; V37-Y353 HydrophobicContact CG1-CG 4.19Å; Y353-T355 PolarHBondContact O-N 3.21Å
354P37.4Very low52.9Low88 Ų8861.2 Ų61.257%0.57132%0.32SS*.  trans-70.281.2172.830.2-33.1000107.7F356P354-F356 HydrophobicContact CB-CD2 3.9Å; P354-F356 HydrophobicContact CB-CE2 3.61Å; P354-F356 HydrophobicContact CB-CZ 4.33Å; P354-F356 HydrophobicContact CG-CE2 4.24Å; P354-F356 WeakPolarHBondContact O-CD2 3.46Å; P354-F356 PolarHBondContact O-N 3.17Å
355T39.5Very low51.5Low38 Ų3863 Ų6323%0.23334%0.342CS..  trans-73.179.6161.942.40000105.5L346 S347 Y353 L357L346-T355 HydrophobicContact CD2-CG2 4.03Å; S347-T355 VanDerWaalsContact CB-OG1 3.31Å; S347-T355 WeakPolarHBondContact CB-OG1 3.29Å; S347-T355 WeakPolarHBondContact OG-CB 3.45Å; S347-T355 PolarHBondContact OG-OG1 3.21Å; Y353-T355 PolarHBondContact O-N 3.21Å; T355-L357 PolarHBondContact O-N 2.63Å; T355-L357 VanDerWaalsContact O-N 3.12Å
356F41Very low50.7Low132 Ų13264.5 Ų64.558%0.57935%0.348SS*.PPolyproline II helixtrans-53.4121.1163.6-73.3-82.4000106.4P354P354-F356 HydrophobicContact CB-CD2 3.9Å; P354-F356 HydrophobicContact CB-CE2 3.61Å; P354-F356 HydrophobicContact CB-CZ 4.33Å; P354-F356 HydrophobicContact CG-CE2 4.24Å; P354-F356 WeakPolarHBondContact O-CD2 3.46Å; P354-F356 PolarHBondContact O-N 3.17Å
357L49Very low50.1Low14 Ų1472 Ų727%0.07338%0.379CS..PPolyproline II helixtrans-50.4125.1155.8-73.4168.9000105.9L346 T355 G359 R362 M617L346-L357 WeakPolarHBondContact O-CD2 3.47Å; T355-L357 PolarHBondContact O-N 2.63Å; T355-L357 VanDerWaalsContact O-N 3.12Å; L357-G359 PolarHBondContact O-N 3.49Å; L357-R362 HydrophobicContact CB-CG 4.11Å; L357-R362 HydrophobicContact CD1-CG 4.44Å; L357-M617 VanDerWaalsContact CD1-O 3.29Å; L357-M617 WeakPolarHBondContact CD1-O 3.39Å; L357-M617 HydrophobicContact CD2-CB 4.15Å; L357-M617 HydrophobicContact CD2-CG 3.56Å
358P54.4Low50.2Low28 Ų2874.2 Ų74.218%0.18240%0.399CS..PPolyproline II helixtrans-54.8133.8-177.8-22.231.3000109.2L346 W360 V361L346-P358 HydrophobicContact CD1-CG 3.57Å; P358-W360 HydrophobicContact CB-CD2 4.2Å; P358-W360 HydrophobicContact CB-CG 3.95Å; P358-W360 HydrophobicContact CB-CZ2 4.34Å; P358-W360 HydrophobicContact CG-CZ2 4.28Å; P358-W360 PolarHBondContact O-N 2.74Å; P358-V361 PolarHBondContact O-N 3.07Å
359G52.7Low50.1Low60 Ų6073.4 Ų73.462%0.61940%0.402SS*.THydrogen-bonded Turntrans-56.3-20.8-177.700000113.4L357 V361L357-G359 PolarHBondContact O-N 3.49Å; G359-V361 VanDerWaalsContact C-N 3.32Å; G359-V361 PolarHBondContact O-N 2.8Å
360W59.2Low49.8Very low139 Ų13975.2 Ų75.253%0.52742%0.418SS..THydrogen-bonded Turntrans-73.9-14176.465.9-101.6000114.7P358 W583 K586P358-W360 HydrophobicContact CB-CD2 4.2Å; P358-W360 HydrophobicContact CB-CG 3.95Å; P358-W360 HydrophobicContact CB-CZ2 4.34Å; P358-W360 HydrophobicContact CG-CZ2 4.28Å; P358-W360 PolarHBondContact O-N 2.74Å; W360-W583 HydrophobicContact CE3-CB 3.85Å; W360-W583 HydrophobicContact CE3-CG 4.25Å; W360-W583 HydrophobicContact CH2-CD2 4.13Å; W360-W583 AromaticContact CH2-CE3 3.67Å; W360-W583 HydrophobicContact CH2-CE3 3.67Å; W360-W583 AromaticContact CH2-CZ3 3.96Å; W360-W583 HydrophobicContact CH2-CZ3 3.96Å; W360-W583 HydrophobicContact CZ3-CB 3.63Å; W360-W583 AromaticContact CZ3-CD2 3.51Å; W360-W583 HydrophobicContact CZ3-CD2 3.51Å; W360-W583 AromaticContact CZ3-CE3 3.46Å; W360-W583 HydrophobicContact CZ3-CE3 3.46Å; W360-W583 VanDerWaalsContact CZ3-CE3 3.46Å; W360-W583 AromaticContact CZ3-CG 3.61Å; W360-W583 HydrophobicContact CZ3-CG 3.61Å; W360-W583 HydrophobicContact CZ3-CZ3 4.19Å; W360-K586 WeakPolarHBondContact O-CD 3.41Å
361V60.5Low49.4Very low0 Ų081.8 Ų81.80%043%0.433CS..THydrogen-bonded Turntrans-95.9-33.9175-177.50000111.9P358 G359 P582 W583 M617P358-V361 PolarHBondContact O-N 3.07Å; G359-V361 VanDerWaalsContact C-N 3.32Å; G359-V361 PolarHBondContact O-N 2.8Å; V361-P582 HydrophobicContact CG1-CB 3.56Å; V361-W583 HydrophobicContact CG2-CB 4.5Å; V361-M617 HydrophobicContact CG1-CE 4.18Å; V361-M617 HydrophobicContact CG1-CG 4.34Å; V361-M617 HydrophobicContact CG2-CE 4.27Å
362R64.7Low48.7Very low53 Ų5382 Ų8220%0.244%0.438CS..SBendtrans-69.1145.6-175-75.4-169.8-178-123.90.4112L357 P364L357-R362 HydrophobicContact CB-CG 4.11Å; L357-R362 HydrophobicContact CD1-CG 4.44Å; R362-P364 WeakPolarHBondContact O-CD 3.4Å
363I65.7Low48Very low3 Ų379.7 Ų79.72%0.01544%0.441CS..PPolyproline II helixtrans-65.4124.6167.5-55.2168.7000108.5G365 L366 F396 V585 Y589 M602 I618I363-G365 PolarHBondContact O-N 2.87Å; I363-L366 HydrophobicContact CB-CD1 3.8Å; I363-L366 HydrophobicContact CD1-CD1 4.21Å; I363-L366 HydrophobicContact CG1-CD1 4.41Å; I363-F396 HydrophobicContact CD1-CE1 4.27Å; I363-F396 HydrophobicContact CD1-CZ 3.96Å; I363-F396 HydrophobicContact CG2-CE1 4.12Å; I363-F396 HydrophobicContact CG2-CZ 4.13Å; I363-V585 HydrophobicContact CD1-CG1 3.83Å; I363-V585 HydrophobicContact CG1-CG1 3.88Å; I363-Y589 HydrophobicContact CG2-CD1 4.1Å; I363-Y589 HydrophobicContact CG2-CE1 3.86Å; I363-M602 HydrophobicContact CD1-CE 4.08Å; I363-M602 HydrophobicContact CD1-SD 3.52Å; I363-M602 VanDerWaalsContact CD1-SD 3.52Å; I363-I618 HydrophobicContact CD1-CG2 3.99Å; I363-I618 HydrophobicContact CG1-CG2 4.18Å
364P58.7Low47.4Very low27 Ų2783.1 Ų83.118%0.17546%0.46CS..THydrogen-bonded Turntrans-57.4134.9174.7-26.136000112.3R362 Y394R362-P364 WeakPolarHBondContact O-CD 3.4Å; P364-Y394 HydrophobicContact CB-CD2 4.3Å; P364-Y394 HydrophobicContact CB-CE1 3.81Å; P364-Y394 HydrophobicContact CB-CE2 3.56Å; P364-Y394 VanDerWaalsContact CB-OH 3.27Å; P364-Y394 WeakPolarHBondContact CB-OH 2.98Å
365G55.6Low46.7Very low53 Ų5389.2 Ų89.255%0.54648%0.478SS..THydrogen-bonded Turntrans99-10.3175.500000116.8I363 Y394I363-G365 PolarHBondContact O-N 2.87Å; G365-Y394 VanDerWaalsContact CA-CD2 3.42Å
366L59Low46.1Very low50 Ų5097.8 Ų97.826%0.26251%0.506SS..PPolyproline II helixtrans-72.3128.8171.8-73.2164.7000110.4I363 A368 L398I363-L366 HydrophobicContact CB-CD1 3.8Å; I363-L366 HydrophobicContact CD1-CD1 4.21Å; I363-L366 HydrophobicContact CG1-CD1 4.41Å; L366-A368 PolarHBondContact O-N 2.84Å; L366-L398 HydrophobicContact CD2-CD2 4.3Å
367K50.3Low45.3Very low201 Ų201100.4 Ų100.487%0.87452%0.52SS*.PPolyproline II helixtrans-57.2130.3175.8-72.3-178.9175.4176.50109.6
368A49.4Very low44.2Very low73 Ų73108.4 Ų108.460%0.60356%0.557SS**PPolyproline II helixtrans-61.8141.3168.600000109.4L366 I370L366-A368 PolarHBondContact O-N 2.84Å; A368-I370 PolarHBondContact O-N 3.16Å
369P41.2Very low42.7Very low75 Ų75111.8 Ų111.849%0.48758%0.581SS.*PPolyproline II helixtrans-55.9130.817120.6-28.9000109.5R371P369-R371 PolarHBondContact O-N 3.47Å
370I35Very low41.4Very low157 Ų157115.9 Ų115.981%0.80559%0.589SS**PPolyproline II helixtrans-60.8129.3-175.9-64168.4000108.8A368 T372A368-I370 PolarHBondContact O-N 3.16Å; I370-T372 PolarHBondContact O-N 3.46Å
371R35.5Very low39.7Very low216 Ų216118.2 Ų118.282%0.81561%0.608SS**  trans-63.4103175.5-65.4-179.4-179.1-176.40.3109.8P369 G373P369-R371 PolarHBondContact O-N 3.47Å; R371-G373 VanDerWaalsContact C-N 3.31Å; R371-G373 PolarHBondContact O-N 3.24Å
372T30.2Very low37.9Very low113 Ų113124 Ų12469%0.69365%0.648SS**  trans-76.287.8165.137.30000109.6I370I370-T372 PolarHBondContact O-N 3.46Å
373G29.2Very low36Very low63 Ų63125.4 Ų125.465%0.64967%0.671SS**SBendtrans46.688.4149.800000120.1R371R371-G373 VanDerWaalsContact C-N 3.31Å; R371-G373 PolarHBondContact O-N 3.24Å
374Q27.5Very low34.1Very low162 Ų162132 Ų13276%0.75771%0.712SS**  trans-146.6109.1131.9-72.9-159-11.800110R376Q374-R376 PolarHBondContact O-N 2.84Å; Q374-R376 VanDerWaalsContact O-N 3.14Å
375K23.3Very low32.4Very low217 Ų217140.9 Ų140.994%0.94375%0.748SS**  trans-68.999.4162.1-77.7177.8175.9175.80107.1
376R25.4Very low30.8Very low217 Ų217146.9 Ų146.982%0.81976%0.762SS**  trans-108120.1161.5-91-174171.2-177.2-1.5110.1Q374 H378Q374-R376 PolarHBondContact O-N 2.84Å; Q374-R376 VanDerWaalsContact O-N 3.14Å; R376-H378 PolarHBondContact O-N 2.78Å
377Q24.7Very low29.1Very low187 Ų187147.6 Ų147.687%0.87478%0.781SS**  trans-70.2109.7169.8-64.1171.5-3.800107.5
378H26.1Very low28.1Very low182 Ų182145.2 Ų145.284%0.84378%0.778SS**  trans-137110.7147.9-101.1-77.3000106.4R376R376-H378 PolarHBondContact O-N 2.78Å
379S23.5Very low27Very low99 Ų99151.7 Ų151.769%0.69279%0.792SS**  trans-53.9153.1163.844.10000110.3
380D24Very low26.5Very low146 Ų146151.3 Ų151.378%0.78179%0.791SS**  trans8865.6169.1-49.9-21.7000117.2
381M25.1Very low26.3Very low188 Ų188151.7 Ų151.793%0.92679%0.794SS**  trans-143.672143.4-91.4-71.1-168.800108.2A383M381-A383 PolarHBondContact O-N 3.28Å
382S22.2Very low26.3Very low121 Ų121144.9 Ų144.985%0.84678%0.776SS**  trans-80.377.216955.50000110.2
383A24.2Very low26.7Very low83 Ų83146.9 Ų146.969%0.68678%0.783SS**  trans-172.579.5161.600000111.7M381M381-A383 PolarHBondContact O-N 3.28Å
384T25.4Very low27.7Very low141 Ų141147.5 Ų147.587%0.86577%0.766SS**  trans-167.866.9141.515.50000107.1E386T384-E386 VanDerWaalsContact C-N 3.28Å; T384-E386 PolarHBondContact O-N 3.3Å
385K22.9Very low29.5Very low215 Ų215143.6 Ų143.694%0.93575%0.751SS**  trans-91.369.3158.8-82.8-173174.9179.20107.9
386E23.8Very low32Very low179 Ų179135 Ų13584%0.83671%0.714SS**  trans-140106.4154.5-74.1-173.2158.100103.1T384T384-E386 VanDerWaalsContact C-N 3.28Å; T384-E386 PolarHBondContact O-N 3.3Å
387G23.2Very low34.7Very low65 Ų65129.4 Ų129.467%0.6770%0.695SS**  88.522.860.300000112K389G387-K389 PolarHBondContact O-N 2.57Å
388D27.7Very low37.6Very low150 Ų150122.2 Ų122.280%0.80266%0.662SS**  trans-69.272.3161.8-91.3-12.2000109.9S390D388-S390 PolarHBondContact O-N 3.28Å; D388-S390 VanDerWaalsContact O-N 3.07Å
389K27.9Very low40.6Very low210 Ų210116.1 Ų116.191%0.91363%0.634SS**  trans-76.242.2167.9-79.3-173.9173.4179.90111.5G387G387-K389 PolarHBondContact O-N 2.57Å
390S29Very low43.8Very low66 Ų66112.2 Ų112.246%0.46261%0.605SS.*  trans-137.754.6172.761.10000111.2D388 T392D388-S390 PolarHBondContact O-N 3.28Å; D388-S390 VanDerWaalsContact O-N 3.07Å; S390-T392 PolarHBondContact O-N 2.85Å
391L30.9Very low47Very low166 Ų166106.1 Ų106.187%0.86957%0.572SS**  trans-65.367.7151.4-78.9152.2000108.2N393L391-N393 PolarHBondContact O-N 2.83Å
392T35.7Very low50.2Low72 Ų7299.1 Ų99.144%0.44254%0.542SS..  trans-61.1130.816452.30000106.5S390 Y394S390-T392 PolarHBondContact O-N 2.85Å; T392-Y394 VanDerWaalsContact C-N 3.31Å; T392-Y394 WeakPolarHBondContact O-CD2 3.43Å; T392-Y394 WeakPolarHBondContact O-CE2 3.23Å; T392-Y394 PolarHBondContact O-N 3.33Å; T392-Y394 WeakPolarHBondContact OG1-CE2 3.28Å; T392-Y394 VanDerWaalsContact OG1-CZ 3.25Å; T392-Y394 PolarHBondContact OG1-OH 3.07Å
393N38.5Very low53.5Low156 Ų15694.2 Ų94.283%0.83451%0.506SS*.  trans-57.894174-83.7-25.6000108.8L391 N395L391-N393 PolarHBondContact O-N 2.83Å; N393-N395 PolarHBondContact O-N 3.49Å
394Y51.6Low56.7Low75 Ų7594.5 Ų94.529%0.29450%0.499SS..  trans-72.596.8174.5-67.8-78.2000108.4P364 G365 T392 F396 Y589P364-Y394 HydrophobicContact CB-CD2 4.3Å; P364-Y394 HydrophobicContact CB-CE1 3.81Å; P364-Y394 HydrophobicContact CB-CE2 3.56Å; P364-Y394 VanDerWaalsContact CB-OH 3.27Å; P364-Y394 WeakPolarHBondContact CB-OH 2.98Å; G365-Y394 VanDerWaalsContact CA-CD2 3.42Å; T392-Y394 VanDerWaalsContact C-N 3.31Å; T392-Y394 WeakPolarHBondContact O-CD2 3.43Å; T392-Y394 WeakPolarHBondContact O-CE2 3.23Å; T392-Y394 PolarHBondContact O-N 3.33Å; T392-Y394 WeakPolarHBondContact OG1-CE2 3.28Å; T392-Y394 VanDerWaalsContact OG1-CZ 3.25Å; T392-Y394 PolarHBondContact OG1-OH 3.07Å; Y394-F396 PolarHBondContact O-N 3.25Å; Y394-Y589 HydrophobicContact CD1-CE1 4.16Å; Y394-Y589 HydrophobicContact CE1-CE1 4.34Å
395N65.2Low59.7Low81 Ų8188 Ų8843%0.43346%0.458SS..  trans-67.379.8165.8-88.1-15.2000109.2N393 Y600N393-N395 PolarHBondContact O-N 3.49Å; N395-Y600 PolarHBondContact O-N 3.25Å
396F74.4Confident62.6Low37 Ų3782.8 Ų82.816%0.16245%0.447CS..EExtended strand (participates in β ladder)trans-130.7127.2-171.4178.1-107.8000111.4I363 Y394 L398 Y589 Y600 M602I363-F396 HydrophobicContact CD1-CE1 4.27Å; I363-F396 HydrophobicContact CD1-CZ 3.96Å; I363-F396 HydrophobicContact CG2-CE1 4.12Å; I363-F396 HydrophobicContact CG2-CZ 4.13Å; Y394-F396 PolarHBondContact O-N 3.25Å; F396-L398 HydrophobicContact CD1-CB 4.48Å; F396-L398 HydrophobicContact CE1-CB 3.74Å; F396-L398 HydrophobicContact CE1-CD1 4.33Å; F396-L398 HydrophobicContact CE1-CG 4.49Å; F396-L398 HydrophobicContact CZ-CB 4.27Å; F396-L398 HydrophobicContact CZ-CD1 4.19Å; F396-Y589 WeakPolarHBondContact CB-OH 3.47Å; F396-Y589 HydrophobicContact CD2-CD2 4.48Å; F396-Y589 AromaticContact CD2-CE2 3.44Å; F396-Y589 HydrophobicContact CD2-CE2 3.44Å; F396-Y589 VanDerWaalsContact CD2-CE2 3.44Å; F396-Y589 AromaticContact CD2-CZ 3.71Å; F396-Y589 WeakPolarHBondContact CD2-OH 3.24Å; F396-Y589 HydrophobicContact CE2-CD2 4.24Å; F396-Y589 AromaticContact CE2-CE2 3.61Å; F396-Y589 HydrophobicContact CE2-CE2 3.61Å; F396-Y589 HydrophobicContact CG-CE2 4.39Å; F396-Y600 CarbonylContact C-O 3.53Å; F396-Y600 WeakPolarHBondContact CA-O 3.08Å; F396-M602 HydrophobicContact CE2-CB 3.36Å; F396-M602 HydrophobicContact CE2-CE 3.82Å; F396-M602 HydrophobicContact CE2-CG 4.35Å; F396-M602 HydrophobicContact CE2-SD 4.19Å; F396-M602 HydrophobicContact CZ-CB 3.43Å; F396-M602 VanDerWaalsContact CZ-CB 3.43Å; F396-M602 HydrophobicContact CZ-CE 3.91Å; F396-M602 HydrophobicContact CZ-CG 4.14Å; F396-M602 HydrophobicContact CZ-SD 3.75Å
397K82.6Confident65.2Low99 Ų9977.4 Ų77.443%0.4344%0.439SS..EExtended strand (participates in β ladder)trans-114.7114.1175-164.5179.3-174.6-163.60110H399 Y600 M602K397-H399 VanDerWaalsContact CD-NE2 3.26Å; K397-H399 WeakPolarHBondContact CD-NE2 3.24Å; K397-H399 WeakPolarHBondContact CE-CE1 3.22Å; K397-H399 WeakPolarHBondContact CE-NE2 3.38Å; K397-H399 PolarHBondContact NZ-CE1 3.17Å; K397-H399 PolarHBondContact NZ-NE2 2.79Å; K397-Y600 PolarHBondContact N-O 3.43Å; K397-M602 PolarHBondContact O-N 2.85Å
398L85.9Confident67.9Low36 Ų3676 Ų7619%0.18842%0.415CS..EExtended strand (participates in β ladder)trans-91.1133.7174.9-176.262.6000110.2L366 F396 L400 M602 I604 T619L366-L398 HydrophobicContact CD2-CD2 4.3Å; F396-L398 HydrophobicContact CD1-CB 4.48Å; F396-L398 HydrophobicContact CE1-CB 3.74Å; F396-L398 HydrophobicContact CE1-CD1 4.33Å; F396-L398 HydrophobicContact CE1-CG 4.49Å; F396-L398 HydrophobicContact CZ-CB 4.27Å; F396-L398 HydrophobicContact CZ-CD1 4.19Å; L398-L400 HydrophobicContact CD1-CD2 4.02Å; L398-L400 HydrophobicContact CD2-CD2 4.17Å; L398-L400 HydrophobicContact CD2-CG 4.27Å; L398-L400 HydrophobicContact CG-CD2 4.04Å; L398-L400 HydrophobicContact CG-CG 4.21Å; L398-M602 CarbonylContact C-O 3.55Å; L398-M602 WeakPolarHBondContact CA-O 3.41Å; L398-M602 HydrophobicContact CD1-CB 4.32Å; L398-M602 HydrophobicContact CD1-CG 4.21Å; L398-M602 HydrophobicContact CD1-SD 4.29Å; L398-I604 HydrophobicContact CD1-CD1 4.31Å; L398-T619 HydrophobicContact CD1-CG2 4.4Å; L398-T619 HydrophobicContact CD2-CG2 3.61Å
399H89Confident69.8Low54 Ų5474.4 Ų74.425%0.2541%0.406CS..EExtended strand (participates in β ladder)trans-125.1111.4174.7-72.9-66.6000109.3K397 M602 T603 I604K397-H399 VanDerWaalsContact CD-NE2 3.26Å; K397-H399 WeakPolarHBondContact CD-NE2 3.24Å; K397-H399 WeakPolarHBondContact CE-CE1 3.22Å; K397-H399 WeakPolarHBondContact CE-NE2 3.38Å; K397-H399 PolarHBondContact NZ-CE1 3.17Å; K397-H399 PolarHBondContact NZ-NE2 2.79Å; H399-M602 PolarHBondContact N-O 3.28Å; H399-T603 HydrophobicContact CB-CG2 4.26Å; H399-T603 CarbonylContact O-C 3.58Å; H399-T603 VanDerWaalsContact O-CA 3.25Å; H399-T603 WeakPolarHBondContact O-CA 3.2Å; H399-I604 PolarHBondContact O-N 2.92Å
400L90.6Very high71.2Confident17 Ų1770 Ų709%0.08940%0.398CS..EExtended strand (participates in β ladder)trans-94.9121175.9-62.5-174.9000108.8L398 I604 Y606 V615 T619L398-L400 HydrophobicContact CD1-CD2 4.02Å; L398-L400 HydrophobicContact CD2-CD2 4.17Å; L398-L400 HydrophobicContact CD2-CG 4.27Å; L398-L400 HydrophobicContact CG-CD2 4.04Å; L398-L400 HydrophobicContact CG-CG 4.21Å; L400-I604 HydrophobicContact CD2-CB 4.03Å; L400-I604 HydrophobicContact CD2-CD1 4.29Å; L400-I604 HydrophobicContact CD2-CG1 4.43Å; L400-Y606 HydrophobicContact CB-CE1 3.99Å; L400-V615 HydrophobicContact CD1-CG1 3.99Å; L400-V615 HydrophobicContact CD2-CG1 3.8Å; L400-T619 HydrophobicContact CD2-CG2 4.24Å
401I91.4Very high72.3Confident17 Ų1770.8 Ų70.89%0.08740%0.4CS..EExtended strand (participates in β ladder)trans-113.699.1178.6-59.9-177.8000107.6R489 I490 T603 I604 L605 Y606I401-R489 HydrophobicContact CD1-CB 4.12Å; I401-R489 HydrophobicContact CG2-CB 4.31Å; I401-R489 HydrophobicContact CG2-CG 4.42Å; I401-I490 HydrophobicContact CD1-CD1 4.28Å; I401-I490 HydrophobicContact CD1-CG1 3.93Å; I401-T603 HydrophobicContact CD1-CG2 3.39Å; I401-T603 HydrophobicContact CG1-CG2 3.87Å; I401-I604 PolarHBondContact N-O 3.46Å; I401-L605 HydrophobicContact CB-CD1 3.99Å; I401-L605 HydrophobicContact CG2-CD1 3.52Å; I401-L605 WeakPolarHBondContact O-CA 3.39Å; I401-Y606 WeakPolarHBondContact O-CD1 3.43Å; I401-Y606 PolarHBondContact O-N 3.01Å
402S92Very high72.8Confident42 Ų4272.3 Ų72.329%0.29440%0.4SS..EExtended strand (participates in β ladder)trans-78.8148.7169.557.60000110.9R489 Y606S402-R489 PolarHBondContact O-NH1 2.72Å; S402-Y606 WeakPolarHBondContact CA-O 3.46Å
403F92.4Very high72.9Confident18 Ų1872.4 Ų72.48%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-139161.3163.667.2-86000109.9A481 R482 A485 L605 Y606 C607 H608F403-A481 HydrophobicContact CD2-CB 3.84Å; F403-A481 HydrophobicContact CE2-CB 3.9Å; F403-R482 HydrophobicContact CE1-CB 3.98Å; F403-R482 HydrophobicContact CE1-CG 3.87Å; F403-R482 HydrophobicContact CE2-CB 3.94Å; F403-R482 HydrophobicContact CZ-CB 3.45Å; F403-R482 VanDerWaalsContact CZ-CB 3.45Å; F403-R482 HydrophobicContact CZ-CG 3.8Å; F403-A485 HydrophobicContact CB-CB 3.74Å; F403-A485 HydrophobicContact CD1-CB 4.12Å; F403-A485 HydrophobicContact CG-CB 3.96Å; F403-L605 HydrophobicContact CD1-CD1 3.57Å; F403-L605 HydrophobicContact CD1-CG 3.98Å; F403-L605 HydrophobicContact CE1-CD1 4.02Å; F403-L605 HydrophobicContact CE1-CG 3.88Å; F403-Y606 WeakPolarHBondContact CD1-O 3.13Å; F403-Y606 WeakPolarHBondContact CE1-O 3.33Å; F403-Y606 PolarHBondContact N-O 2.88Å; F403-C607 HydrophobicContact CE1-CB 4.21Å; F403-C607 HydrophobicContact CE2-CB 3.81Å; F403-C607 HydrophobicContact CZ-CB 3.59Å; F403-H608 PolarHBondContact O-N 3.42Å
404V90Very high72.5Confident89 Ų8968.1 Ų68.154%0.53938%0.38SS..  trans-120.9153.2178.5-680000109.7
405V89.1Confident71.4Confident3 Ų367 Ų672%0.01838%0.382CS..  trans-90.2136.1177.6-178.80000109.1G407 Q408 Y472 L473 N477 V478 A481V405-G407 PolarHBondContact O-N 2.85Å; V405-Q408 WeakPolarHBondContact O-CB 3.32Å; V405-Q408 PolarHBondContact O-N 2.86Å; V405-Q408 VanDerWaalsContact O-N 3.09Å; V405-Y472 HydrophobicContact CB-CD2 3.85Å; V405-Y472 HydrophobicContact CB-CE2 4.17Å; V405-Y472 HydrophobicContact CG1-CD2 3.96Å; V405-Y472 WeakPolarHBondContact CG1-O 3.32Å; V405-L473 HydrophobicContact CB-CD2 4.37Å; V405-L473 HydrophobicContact CG2-CD2 4.05Å; V405-N477 HydrophobicContact CG1-CB 3.85Å; V405-V478 HydrophobicContact CG2-CG2 4.06Å; V405-A481 HydrophobicContact CG2-CB 4.15Å
406P83Confident69.6Low107 Ų10768.3 Ų68.370%0.69539%0.393SS*.THydrogen-bonded Turntrans-53.7134.5174.6-25.534.6000111.8
407G79.9Confident67.2Low65 Ų6572.7 Ų72.767%0.6742%0.418SS*.THydrogen-bonded Turntrans90.1-4.4-175.300000114.8V405 I409V405-G407 PolarHBondContact O-N 2.85Å; G407-I409 PolarHBondContact O-N 3.17Å
408Q78.3Confident64.6Low35 Ų3572.7 Ų72.716%0.16442%0.422CS..  trans-61.9120.4171.3-179.3172.3-20.400110.9V405 Y472 H608V405-Q408 WeakPolarHBondContact O-CB 3.32Å; V405-Q408 PolarHBondContact O-N 2.86Å; V405-Q408 VanDerWaalsContact O-N 3.09Å; Q408-Y472 HydrophobicContact CB-CD2 4Å; Q408-Y472 HydrophobicContact CB-CE2 3.62Å; Q408-Y472 HydrophobicContact CG-CE2 3.9Å; Q408-H608 PolarHBondContact NE2-O 3.08Å; Q408-H608 PolarHBondContact OE1-O 3Å; Q408-H608 VanDerWaalsContact OE1-O 3.08Å
409I67.9Low61.7Low118 Ų11877.5 Ų77.561%0.60545%0.453SS*.  trans-66133.1169.7-58.1170.9000107.3G407 V411G407-I409 PolarHBondContact O-N 3.17Å; I409-V411 PolarHBondContact O-N 2.92Å
410P57.2Low58.6Low116 Ų11679.3 Ų79.375%0.75347%0.471SS*.  trans-58.1102171.3-19.530.3000109K412P410-K412 VanDerWaalsContact C-N 3.31Å; P410-K412 PolarHBondContact O-N 2.86Å
411V53.2Low55.4Low83 Ų8387.6 Ų87.650%0.50351%0.507SS..  trans-70.798.8167.2-176.30000104.7I409 L413I409-V411 PolarHBondContact O-N 2.92Å; V411-L413 HydrophobicContact CB-CD1 4.34Å; V411-L413 HydrophobicContact CG1-CD1 3.88Å; V411-L413 HydrophobicContact CG1-CG 4.43Å; V411-L413 PolarHBondContact O-N 3.45Å
412K40.5Very low52.2Low199 Ų19994.3 Ų94.387%0.86554%0.543SS*.  trans-59.694.2156.5-80.6-172.2177.7-176.40105.3P410 S414P410-K412 VanDerWaalsContact C-N 3.31Å; P410-K412 PolarHBondContact O-N 2.86Å; K412-S414 VanDerWaalsContact C-N 3.33Å; K412-S414 PolarHBondContact O-N 3.31Å
413L38.7Very low49Very low73 Ų73100 Ų10038%0.38257%0.57SS.*  trans-61.3104.1167.1-102.694.7000105.8V411 C415 F624V411-L413 HydrophobicContact CB-CD1 4.34Å; V411-L413 HydrophobicContact CG1-CD1 3.88Å; V411-L413 HydrophobicContact CG1-CG 4.43Å; V411-L413 PolarHBondContact O-N 3.45Å; L413-C415 PolarHBondContact O-N 3.06Å; L413-F624 HydrophobicContact CD2-CE1 4.22Å
414S29.7Very low45.7Very low67 Ų67107.8 Ų107.847%0.46961%0.607SS.*THydrogen-bonded Turntrans-70.266.7164.467.90000108.5K412K412-S414 VanDerWaalsContact C-N 3.33Å; K412-S414 PolarHBondContact O-N 3.31Å
415C28.6Very low42.5Very low50 Ų50108.3 Ų108.334%0.33861%0.614SS.*THydrogen-bonded Turntrans-131.2-0.5169.1-92.50000111.8Y349 L413 D417Y349-C415 PolarHBondContact OH-SG 2.89Å; L413-C415 PolarHBondContact O-N 3.06Å; C415-D417 VanDerWaalsContact C-N 3.35Å
416T26.5Very low39.4Very low109 Ų109115.6 Ų115.667%0.66965%0.653SS**G310 helixtrans-78.3-14.6172.744.60000113.8L418T416-L418 VanDerWaalsContact C-N 3.26Å; T416-L418 PolarHBondContact O-N 2.92Å
417D25.6Very low36.6Very low130 Ų130116.3 Ų116.370%0.69566%0.661SS**G310 helixtrans-84.89.9-178.3-68.9-9.8000114.5C415C415-D417 VanDerWaalsContact C-N 3.35Å
418L26.3Very low33.8Very low99 Ų99120.5 Ų120.552%0.51867%0.668SS.*G310 helixtrans-98.1-1.5176-71175.2000114.6T416 L443T416-L418 VanDerWaalsContact C-N 3.26Å; T416-L418 PolarHBondContact O-N 2.92Å; L418-L443 HydrophobicContact CD1-CD1 3.75Å; L418-L443 HydrophobicContact CD2-CD1 4.16Å; L418-L443 HydrophobicContact CG-CD1 4.44Å
419V26.4Very low31.3Very low137 Ų137126.9 Ų126.983%0.8370%0.703SS**SBendtrans-118.7-6.1-177.2-176.90000114.2
420S24.3Very low29Very low91 Ų91130.4 Ų130.464%0.63672%0.717SS**SBendtrans-121.446.7-178.353.70000113.9
421K23.4Very low27.6Very low191 Ų191133.1 Ų133.183%0.8372%0.723SS**SBendtrans-138.263.2158.6-75.5-168178.8179.10110.4
422N23.9Very low26Very low158 Ų158137.9 Ų137.985%0.84574%0.74SS**  trans-166.968.9156.7-94.3-17.2000107.5
423N25.3Very low25Very low163 Ų163137.3 Ų137.387%0.87274%0.743SS**  trans-150.4138.4151.8-89.2-25.2000107.4
424Q23.1Very low24.1Very low180 Ų180138.5 Ų138.584%0.84176%0.757SS**  trans-80.2166.8-158.5-67.1162.8-47.200113.7
425S22.8Very low23.9Very low100 Ų100141 Ų14170%0.69977%0.772SS**  trans70.8115.8141.860.10000120.2
426D22.4Very low23.5Very low157 Ų157147.8 Ų147.884%0.8480%0.796SS**  54102.5129.9-56.7-18000119.3
427S24.3Very low23.3Very low121 Ų121149.2 Ų149.285%0.84680%0.804SS**  -175.7139120.526.40000110.4
428D21.7Very low23.1Very low153 Ų153149 Ų14982%0.81881%0.808SS**  trans-61.8140.4176.1-58.3-55.8000111.9
429D25.3Very low23.1Very low170 Ų170147.6 Ų147.691%0.90981%0.81SS**  trans-169.6126.6136.9-91.8-25.9000110.6
430E21Very low23Very low191 Ų191147.6 Ų147.689%0.89381%0.806SS**  trans-71.2134.5176.1-55.4177.114700110.9
431I26.1Very low23.2Very low173 Ų173148.2 Ų148.289%0.88780%0.802SS**  trans-159.2125.9135-63.1-161.8000109.6
432E19.8Very low23.3Very low183 Ų183142.6 Ų142.686%0.85579%0.787SS**  trans-57.8133.1167.9-86176.913400114.7
433M20.9Very low23.6Very low187 Ų187139.2 Ų139.292%0.92177%0.769SS**  -169.8121.3120.1-146.4-177.7-69.900111.5
434S18.8Very low23.7Very low98 Ų98138.4 Ų138.469%0.68576%0.759SS**  trans-82.1146.1174.253.10000113.1
435P24.6Very low23.8Very low121 Ų121135.1 Ų135.179%0.78676%0.755SS**  -128.8126.1116.427.7-14.1000111.9T437P435-T437 PolarHBondContact O-N 3.28Å
436K20.8Very low24.1Very low192 Ų192136.4 Ų136.484%0.83575%0.753SS**  trans-71.5107.9178.3-70.1172.9176.1173.70110.6
437T22.2Very low24.5Very low138 Ų138134.6 Ų134.685%0.84775%0.753SS**  trans-156.867.6148.3-7.50000108.8P435 A439P435-T437 PolarHBondContact O-N 3.28Å; T437-A439 VanDerWaalsContact C-N 3.33Å; T437-A439 PolarHBondContact O-N 2.93Å
438T22Very low25Very low126 Ų126135.3 Ų135.377%0.77375%0.747SS**  trans-6992.7166.9370000108.3D440T438-D440 PolarHBondContact O-N 3.41Å
439A26.6Very low25.8Very low69 Ų69132.4 Ų132.457%0.5774%0.739SS**  trans-72.3102.9155.500000106.2T437 N441T437-A439 VanDerWaalsContact C-N 3.33Å; T437-A439 PolarHBondContact O-N 2.93Å; A439-N441 VanDerWaalsContact C-N 3.33Å; A439-N441 PolarHBondContact O-N 2.76Å
440D23.4Very low26.9Very low138 Ų138127.2 Ų127.274%0.73872%0.716SS**  trans-57.492.6175.6-73-30.5000110.2T438T438-D440 PolarHBondContact O-N 3.41Å
441N28.2Very low28.3Very low103 Ų103124.8 Ų124.855%0.55170%0.703SS**  trans-102.931.2169.3-95.2-4.4000110.6A439 L443A439-N441 VanDerWaalsContact C-N 3.33Å; A439-N441 PolarHBondContact O-N 2.76Å; N441-L443 PolarHBondContact O-N 3.13Å; N441-L443 VanDerWaalsContact O-N 3.13Å
442S26.5Very low29.5Very low74 Ų74118.3 Ų118.352%0.51767%0.671SS.*  trans-64.5112.2166.554.20000108.5H444S442-H444 PolarHBondContact O-N 3.28Å
443L31.1Very low31Very low87 Ų87112 Ų11246%0.45564%0.643SS.*  trans-61.881.1160.3-82.2151.5000107.6L418 N441 C445L418-L443 HydrophobicContact CD1-CD1 3.75Å; L418-L443 HydrophobicContact CD2-CD1 4.16Å; L418-L443 HydrophobicContact CG-CD1 4.44Å; N441-L443 PolarHBondContact O-N 3.13Å; N441-L443 VanDerWaalsContact O-N 3.13Å; L443-C445 VanDerWaalsContact C-N 3.3Å; L443-C445 PolarHBondContact O-N 2.94Å
444H25.4Very low32.6Very low145 Ų145108.5 Ų108.567%0.67164%0.637SS**  trans-60.5104.3156.5-90.1-80.4000105.2S442 L446S442-H444 PolarHBondContact O-N 3.28Å; H444-L446 PolarHBondContact O-N 3.45Å
445C25.4Very low34.5Very low111 Ų111104.2 Ų104.275%0.7561%0.607SS**  trans-51.796150.6-71.80000104.9L443 S447L443-C445 VanDerWaalsContact C-N 3.3Å; L443-C445 PolarHBondContact O-N 2.94Å; C445-S447 VanDerWaalsContact C-N 3.25Å; C445-S447 PolarHBondContact O-N 3.38Å
446L29.6Very low36.7Very low127 Ų127103.8 Ų103.867%0.66560%0.598SS**  trans-57.8100.3173.1-74.4164.5000105H444 N448H444-L446 PolarHBondContact O-N 3.45Å; L446-N448 CarbonylContact O-C 3.56Å; L446-N448 PolarHBondContact O-N 3.05Å
447S31.3Very low39.3Very low120 Ų12094.7 Ų94.784%0.83956%0.559SS**SBendtrans-62.9-0.8174.749.60000112.1C445C445-S447 VanDerWaalsContact C-N 3.25Å; C445-S447 PolarHBondContact O-N 3.38Å
448N34.2Very low42Very low135 Ų13590.8 Ų90.872%0.72253%0.533SS*.SBendtrans-103.192.2161.4-69-12.1000108.5L446 S450L446-N448 CarbonylContact O-C 3.56Å; L446-N448 PolarHBondContact O-N 3.05Å; N448-S450 VanDerWaalsContact C-N 3.31Å; N448-S450 PolarHBondContact O-N 3.24Å
449S39.5Very low44.8Very low92 Ų9287 Ų8764%0.64351%0.507SS*.  trans-60.986.4175.859.80000110.9K451S449-K451 PolarHBondContact O-N 2.77Å
450S46.7Very low47.3Very low62 Ų6286.4 Ų86.443%0.43449%0.494SS..  trans-71.4100.4166.356.20000107.1N448 V452N448-S450 VanDerWaalsContact C-N 3.31Å; N448-S450 PolarHBondContact O-N 3.24Å; S450-V452 PolarHBondContact O-N 2.85Å
451K50.6Low50.1Low140 Ų14080.9 Ų80.961%0.60947%0.466SS*.BIsolated β-bridgetrans-50.5130.3161.9-71.1-175.9178.5-174.90106.7S449 D453S449-K451 PolarHBondContact O-N 2.77Å; K451-D453 PolarHBondContact O-N 2.76Å
452V52.4Low52.8Low36 Ų3679 Ų7922%0.21846%0.459CS..SBendtrans-57.3-39178.5-178.60000109.3A36 S450 S457 L459A36-V452 HydrophobicContact CB-CG2 4.28Å; S450-V452 PolarHBondContact O-N 2.85Å; V452-S457 PolarHBondContact N-O 2.83Å; V452-L459 HydrophobicContact CG2-CB 3.61Å; V452-L459 HydrophobicContact CG2-CD1 4.04Å; V452-L459 HydrophobicContact CG2-CG 4.32Å
453D50.5Low55.5Low51 Ų5181.5 Ų81.527%0.27346%0.457SS..SBendtrans-167-171.3-178.3-75.1-56000110.7R50 K451 S455R50-D453 WeakPolarHBondContact CD-OD2 3.2Å; R50-D453 IonicContact NH1-OD2 3.21Å; K451-D453 PolarHBondContact O-N 2.76Å; D453-S455 PolarHBondContact O-N 2.75Å
454S54.9Low58Low113 Ų11381.9 Ų81.979%0.7946%0.463SS*.THydrogen-bonded Turntrans-57.54.8171.357.60000115.7
455S58.4Low60.2Low9 Ų980.2 Ų80.26%0.06346%0.458CS..THydrogen-bonded Turntrans-98.814.9-169.2-45.90000115.7N38 D453 S457N38-S455 PolarHBondContact ND2-O 3.19Å; D453-S455 PolarHBondContact O-N 2.75Å; S455-S457 PolarHBondContact O-N 3.17Å
456N70.6Confident62.4Low111 Ų11184.9 Ų84.959%0.59446%0.46SS*.  trans53.419.7-176.8-71.7-16.4000115
457S76.5Confident64.5Low2 Ų288 Ų881%0.01447%0.468CS..PPolyproline II helixtrans-89.1132.8176.256.60000111.7V37 V452 S455V37-S457 CarbonylContact O-C 3.57Å; V37-S457 VanDerWaalsContact O-CA 3.24Å; V37-S457 WeakPolarHBondContact O-CA 3.43Å; V452-S457 PolarHBondContact N-O 2.83Å; S455-S457 PolarHBondContact O-N 3.17Å
458L77.7Confident66.5Low56 Ų5685.6 Ų85.629%0.29345%0.449SS..EExtended strand (participates in β ladder)trans-88.5124.5175-178.265.6000109.8A36 V37 L460A36-L458 CarbonylContact C-O 3.56Å; A36-L458 VanDerWaalsContact CA-O 3.23Å; A36-L458 WeakPolarHBondContact CA-O 3.41Å; V37-L458 PolarHBondContact N-O 3.2Å; V37-L458 PolarHBondContact O-N 2.89Å; L458-L460 HydrophobicContact CD2-CD2 4.06Å; L458-L460 HydrophobicContact CG-CD2 4.34Å
459L80.5Confident68.6Low46 Ų4683.4 Ų83.424%0.24144%0.437CS..EExtended strand (participates in β ladder)trans-74.2124.8170.3-171.660.3000109.2T34 V452T34-L459 HydrophobicContact CG2-CD1 4.17Å; V452-L459 HydrophobicContact CG2-CB 3.61Å; V452-L459 HydrophobicContact CG2-CD1 4.04Å; V452-L459 HydrophobicContact CG2-CG 4.32Å
460L79.4Confident70.5Confident56 Ų5685.7 Ų85.729%0.29343%0.433SS..EExtended strand (participates in β ladder)trans-96.6-45.3176.5-65.4-173.8000112.4V35 V37 L352 L458V35-L460 HydrophobicContact CG1-CB 4.47Å; V35-L460 HydrophobicContact CG1-CD1 4.38Å; V35-L460 WeakPolarHBondContact O-CB 3.48Å; V35-L460 PolarHBondContact O-N 2.94Å; V37-L460 HydrophobicContact CG2-CD1 3.36Å; V37-L460 HydrophobicContact CG2-CD2 4.28Å; V37-L460 HydrophobicContact CG2-CG 3.79Å; L352-L460 HydrophobicContact CD1-CD2 3.89Å; L458-L460 HydrophobicContact CD2-CD2 4.06Å; L458-L460 HydrophobicContact CG-CD2 4.34Å
461S83.6Confident72.2Confident23 Ų2385.1 Ų85.116%0.16143%0.432CS..EExtended strand (participates in β ladder)trans-159.1152.5179.269.10000110.8V35V35-S461 PolarHBondContact N-O 3.17Å; V35-S461 PolarHBondContact O-N 2.87Å
462T84.8Confident73.8Confident63 Ų6380 Ų8039%0.38741%0.409SS..EExtended strand (participates in β ladder)trans-116.6130165.5-57.50000107.1E32 T34E32-T462 HydrophobicContact CB-CG2 3.92Å; E32-T462 HydrophobicContact CG-CG2 4.22Å; E32-T462 WeakPolarHBondContact OE2-CG2 3.29Å; T34-T462 HydrophobicContact CG2-CG2 4.2Å
463R83.5Confident75.3Confident127 Ų12780 Ų8048%0.47941%0.408SS..EExtended strand (participates in β ladder)trans-133138.4-179.8-63-174.9-178.1-171.9-2.4109.9V33V33-R463 PolarHBondContact N-O 3.48Å; V33-R463 PolarHBondContact O-N 2.98Å
464T81.9Confident76.9Confident95 Ų9581 Ų8158%0.58342%0.418SS*.EExtended strand (participates in β ladder)trans-72.5128.4168.3-480000109.3P31 R466P31-T464 VanDerWaalsContact O-CA 3.27Å; P31-T464 WeakPolarHBondContact O-CA 3.42Å; P31-T464 WeakPolarHBondContact O-CG2 3.48Å; T464-R466 PolarHBondContact O-N 3.3Å
465L72.2Confident78.4Confident109 Ų10979.3 Ų79.357%0.57142%0.419SS*.PPolyproline II helixtrans-67.3123.3174.6-75.7175.2000109.6P31 V33P31-L465 PolarHBondContact O-N 3.06Å; P31-L465 VanDerWaalsContact O-N 3.11Å; V33-L465 HydrophobicContact CB-CD2 4.31Å; V33-L465 HydrophobicContact CB-CG 4.22Å; V33-L465 HydrophobicContact CG2-CD1 3.44Å; V33-L465 VanDerWaalsContact CG2-CD1 3.44Å; V33-L465 HydrophobicContact CG2-CD2 3.79Å; V33-L465 HydrophobicContact CG2-CG 3.48Å; V33-L465 VanDerWaalsContact CG2-CG 3.48Å
466R72.3Confident79.8Confident209 Ų20983.6 Ų83.679%0.78943%0.434SS*.PPolyproline II helixtrans-92.1140.8169.1-64-174.4-177.8178.30.9108.7T464 T468T464-R466 PolarHBondContact O-N 3.3Å; R466-T468 PolarHBondContact O-N 3.26Å
467F72.5Confident80.8Confident192 Ų19281.4 Ų81.484%0.84242%0.422SS*.PPolyproline II helixtrans-62.4122.8169.7179.5-96.1000108.7D469F467-D469 HydrophobicContact CE1-CB 4.14Å
468T73Confident81.6Confident70 Ų7082.6 Ų82.643%0.42943%0.429SS..  trans-119.1122.8173-55.40000107.2R466 Y470R466-T468 PolarHBondContact O-N 3.26Å; T468-Y470 HydrophobicContact CG2-CE1 3.99Å; T468-Y470 HydrophobicContact CG2-CE2 4.07Å; T468-Y470 WeakPolarHBondContact O-CD2 3.46Å; T468-Y470 PolarHBondContact O-N 3.27Å
469D78.3Confident82.3Confident90 Ų9080.7 Ų80.748%0.48142%0.42SS..  trans-76.2121.3176.2-1739.4000110.2F467 A471F467-D469 HydrophobicContact CE1-CB 4.14Å; D469-A471 WeakPolarHBondContact OD1-CB 3.28Å; D469-A471 PolarHBondContact OD1-N 3.2Å
470Y79.4Confident83Confident139 Ų13982.6 Ų82.655%0.54543%0.43SS..  trans-108.913.1175.6-67.3-67.5000112T468 Y472 L473T468-Y470 HydrophobicContact CG2-CE1 3.99Å; T468-Y470 HydrophobicContact CG2-CE2 4.07Å; T468-Y470 WeakPolarHBondContact O-CD2 3.46Å; T468-Y470 PolarHBondContact O-N 3.27Å; Y470-Y472 HydrophobicContact CD1-CE1 4.08Å; Y470-Y472 PolarHBondContact O-N 3.25Å; Y470-Y472 VanDerWaalsContact O-N 3.11Å; Y470-L473 HydrophobicContact CD1-CD1 3.65Å; Y470-L473 HydrophobicContact CG-CD1 4.27Å; Y470-L473 VanDerWaalsContact O-CB 3.3Å; Y470-L473 WeakPolarHBondContact O-CB 3.44Å; Y470-L473 PolarHBondContact O-N 2.98Å
471A83.3Confident83.7Confident51 Ų5180.4 Ų80.442%0.42142%0.42SS..G310 helixtrans-55.2-31179.500000112.9D469 L473 S474D469-A471 WeakPolarHBondContact OD1-CB 3.28Å; D469-A471 PolarHBondContact OD1-N 3.2Å; A471-L473 PolarHBondContact O-N 3.22Å; A471-S474 VanDerWaalsContact O-CB 3.24Å; A471-S474 WeakPolarHBondContact O-CB 3.41Å; A471-S474 PolarHBondContact O-N 3.32Å; A471-S474 PolarHBondContact O-OG 2.98Å
472Y84.3Confident84.3Confident32 Ų3280.1 Ų80.113%0.12542%0.416CS..G310 helixtrans-61.5-22175.274.7-84.8000113.2V405 Q408 Y470 N477V405-Y472 HydrophobicContact CB-CD2 3.85Å; V405-Y472 HydrophobicContact CB-CE2 4.17Å; V405-Y472 HydrophobicContact CG1-CD2 3.96Å; V405-Y472 WeakPolarHBondContact CG1-O 3.32Å; Q408-Y472 HydrophobicContact CB-CD2 4Å; Q408-Y472 HydrophobicContact CB-CE2 3.62Å; Q408-Y472 HydrophobicContact CG-CE2 3.9Å; Y470-Y472 HydrophobicContact CD1-CE1 4.08Å; Y470-Y472 PolarHBondContact O-N 3.25Å; Y470-Y472 VanDerWaalsContact O-N 3.11Å; Y472-N477 WeakPolarHBondContact O-CB 3.36Å; Y472-N477 PolarHBondContact O-ND2 2.87Å
473L84.9Confident84.8Confident37 Ų3778.1 Ų78.119%0.19440%0.402CS..G310 helixtrans-87.2-5176.7-58.2177.3000113.9V405 Y470 A471 V478 I610V405-L473 HydrophobicContact CB-CD2 4.37Å; V405-L473 HydrophobicContact CG2-CD2 4.05Å; Y470-L473 HydrophobicContact CD1-CD1 3.65Å; Y470-L473 HydrophobicContact CG-CD1 4.27Å; Y470-L473 VanDerWaalsContact O-CB 3.3Å; Y470-L473 WeakPolarHBondContact O-CB 3.44Å; Y470-L473 PolarHBondContact O-N 2.98Å; A471-L473 PolarHBondContact O-N 3.22Å; L473-V478 HydrophobicContact CD2-CG2 3.96Å; L473-I610 HydrophobicContact CD1-CD1 3.34Å; L473-I610 HydrophobicContact CD1-CG1 3.86Å; L473-I610 HydrophobicContact CD2-CD1 3.49Å; L473-I610 VanDerWaalsContact CD2-CD1 3.49Å; L473-I610 HydrophobicContact CG-CD1 3.93Å
474S83.6Confident85.5Confident70 Ų7075.6 Ų75.649%0.4940%0.398SS..SBendtrans-70.3162.4-176.768.40000113.1A471 R476 N477A471-S474 VanDerWaalsContact O-CB 3.24Å; A471-S474 WeakPolarHBondContact O-CB 3.41Å; A471-S474 PolarHBondContact O-N 3.32Å; A471-S474 PolarHBondContact O-OG 2.98Å; S474-R476 PolarHBondContact O-N 2.74Å; S474-N477 WeakPolarHBondContact O-CB 3.48Å; S474-N477 VanDerWaalsContact O-CG 3.3Å; S474-N477 PolarHBondContact O-N 3.38Å; S474-N477 PolarHBondContact O-ND2 2.67Å
475G84.8Confident86.1Confident78 Ų7871.5 Ų71.580%0.80437%0.374SS*.THydrogen-bonded Turntrans61-130174.800000112.8
476R89.6Confident87.3Confident100 Ų10066.3 Ų66.338%0.37735%0.347SS..THydrogen-bonded Turntrans-100.610.8-179.6-64.4-65.1-59.4-78.5-2.5113.3S474 V478 S479 I480 D511 E514S474-R476 PolarHBondContact O-N 2.74Å; R476-V478 VanDerWaalsContact C-N 3.32Å; R476-V478 PolarHBondContact O-N 3.09Å; R476-S479 PolarHBondContact NE-OG 2.98Å; R476-S479 PolarHBondContact O-N 3.34Å; R476-S479 VanDerWaalsContact O-N 3.12Å; R476-I480 HydrophobicContact CB-CD1 4.08Å; R476-I480 HydrophobicContact CB-CG1 4.32Å; R476-I480 VanDerWaalsContact O-CG1 3.29Å; R476-I480 WeakPolarHBondContact O-CG1 3.47Å; R476-I480 PolarHBondContact O-N 2.71Å; R476-D511 IonicContact NH2-OD1 3.56Å; R476-E514 IonicContact CZ-OE1 2.95Å; R476-E514 IonicContact NH1-OE1 2.64Å; R476-E514 VanDerWaalsContact NH2-CD 3.32Å; R476-E514 IonicContact NH2-OE1 3.03Å; R476-E514 PolarHBondContact NH2-OE1 3.15Å; R476-E514 IonicContact NH2-OE2 3.82Å
477N91.9Very high88.5Confident65 Ų6560.5 Ų60.535%0.34833%0.327SS..Hα-helixtrans-59.3-41.2-172.4-69.1-14.8000112.9V405 Y472 S474 A481V405-N477 HydrophobicContact CG1-CB 3.85Å; Y472-N477 WeakPolarHBondContact O-CB 3.36Å; Y472-N477 PolarHBondContact O-ND2 2.87Å; S474-N477 WeakPolarHBondContact O-CB 3.48Å; S474-N477 VanDerWaalsContact O-CG 3.3Å; S474-N477 PolarHBondContact O-N 3.38Å; S474-N477 PolarHBondContact O-ND2 2.67Å; N477-A481 WeakPolarHBondContact O-CB 3.49Å; N477-A481 PolarHBondContact O-N 3.33Å
478V91.7Very high89.6Confident27 Ų2758.4 Ų58.416%0.16432%0.32CS..Hα-helixtrans-65.1-46.2175.8-177.50000111.1V405 L473 R476 I480 A481 R482 C607V405-V478 HydrophobicContact CG2-CG2 4.06Å; L473-V478 HydrophobicContact CD2-CG2 3.96Å; R476-V478 VanDerWaalsContact C-N 3.32Å; R476-V478 PolarHBondContact O-N 3.09Å; V478-I480 PolarHBondContact O-N 3.46Å; V478-A481 PolarHBondContact O-N 2.93Å; V478-R482 VanDerWaalsContact O-CB 3.29Å; V478-R482 WeakPolarHBondContact O-CB 3.16Å; V478-R482 PolarHBondContact O-N 3.45Å; V478-C607 HydrophobicContact CG1-CB 4.23Å
479S93Very high90.6Very high15 Ų1561.3 Ų61.311%0.10532%0.323CS..Hα-helixtrans-59.7-44.8176.9-620000112R476 R482 L483 D511R476-S479 PolarHBondContact NE-OG 2.98Å; R476-S479 PolarHBondContact O-N 3.34Å; R476-S479 VanDerWaalsContact O-N 3.12Å; S479-R482 WeakPolarHBondContact O-CB 3.29Å; S479-R482 PolarHBondContact O-N 2.97Å; S479-L483 WeakPolarHBondContact O-CB 3.36Å; S479-L483 PolarHBondContact O-N 3.41Å; S479-D511 WeakPolarHBondContact CB-OD1 3.45Å; S479-D511 PolarHBondContact OG-OD1 3.34Å
480I94.6Very high91.4Very high87 Ų8757.1 Ų57.145%0.44630%0.301SS..Hα-helixtrans-63.9-46.7179.3-66.2163.4000110.6R476 V478 R482 L483 N484R476-I480 HydrophobicContact CB-CD1 4.08Å; R476-I480 HydrophobicContact CB-CG1 4.32Å; R476-I480 VanDerWaalsContact O-CG1 3.29Å; R476-I480 WeakPolarHBondContact O-CG1 3.47Å; R476-I480 PolarHBondContact O-N 2.71Å; V478-I480 PolarHBondContact O-N 3.46Å; I480-R482 VanDerWaalsContact C-N 3.31Å; I480-R482 PolarHBondContact O-N 3.31Å; I480-L483 PolarHBondContact O-N 3.3Å; I480-N484 VanDerWaalsContact O-CG 3.3Å; I480-N484 PolarHBondContact O-N 3.39Å; I480-N484 PolarHBondContact O-ND2 3.42Å
481A94.9Very high92.2Very high10 Ų1050.7 Ų50.78%0.08328%0.276CS..Hα-helixtrans-62-40.9177.500000111.5F403 V405 N477 V478 N484 A485F403-A481 HydrophobicContact CD2-CB 3.84Å; F403-A481 HydrophobicContact CE2-CB 3.9Å; V405-A481 HydrophobicContact CG2-CB 4.15Å; N477-A481 WeakPolarHBondContact O-CB 3.49Å; N477-A481 PolarHBondContact O-N 3.33Å; V478-A481 PolarHBondContact O-N 2.93Å; A481-N484 PolarHBondContact O-N 3.17Å; A481-A485 WeakPolarHBondContact O-CB 3.3Å; A481-A485 PolarHBondContact O-N 3.22Å
482R95.8Very high92.7Very high17 Ų1750.5 Ų50.56%0.06427%0.27CS..Hα-helixtrans-62.2-46.7175.6-171.5177.1-76.1139.82.6111.9F403 V478 S479 I480 N484 A485 F486 D511 Y576 L605 E611F403-R482 HydrophobicContact CE1-CB 3.98Å; F403-R482 HydrophobicContact CE1-CG 3.87Å; F403-R482 HydrophobicContact CE2-CB 3.94Å; F403-R482 HydrophobicContact CZ-CB 3.45Å; F403-R482 VanDerWaalsContact CZ-CB 3.45Å; F403-R482 HydrophobicContact CZ-CG 3.8Å; V478-R482 VanDerWaalsContact O-CB 3.29Å; V478-R482 WeakPolarHBondContact O-CB 3.16Å; V478-R482 PolarHBondContact O-N 3.45Å; S479-R482 WeakPolarHBondContact O-CB 3.29Å; S479-R482 PolarHBondContact O-N 2.97Å; I480-R482 VanDerWaalsContact C-N 3.31Å; I480-R482 PolarHBondContact O-N 3.31Å; R482-N484 VanDerWaalsContact C-N 3.31Å; R482-N484 PolarHBondContact O-N 3.02Å; R482-A485 PolarHBondContact O-N 3.02Å; R482-F486 PolarHBondContact O-N 3Å; R482-D511 IonicContact NH1-OD2 2.68Å; R482-D511 PolarHBondContact NH1-OD2 3.3Å; R482-Y576 VanDerWaalsContact CD-O 3.27Å; R482-Y576 WeakPolarHBondContact CD-O 3.39Å; R482-Y576 HydrophobicContact CG-CD1 4.26Å; R482-Y576 HydrophobicContact CG-CE1 3.67Å; R482-Y576 HydrophobicContact CG-CE2 4.02Å; R482-L605 HydrophobicContact CG-CD2 3.59Å; R482-L605 HydrophobicContact CG-CG 4.19Å; R482-E611 IonicContact CZ-OE1 2.8Å; R482-E611 IonicContact CZ-OE2 3.96Å; R482-E611 IonicContact NH2-OE1 3.72Å; R482-E611 PolarHBondContact NH2-OE1 3.12Å; R482-E611 IonicContact NH2-OE2 3.15Å; R482-E611 PolarHBondContact NH2-OE2 2.93Å
483L96.4Very high93.1Very high21 Ų2151.1 Ų51.111%0.1127%0.272CS..Hα-helixtrans-61-42.1178.5-168.667.1000111.4S479 I480 F486 K487 E514 L515 I518 Y576S479-L483 WeakPolarHBondContact O-CB 3.36Å; S479-L483 PolarHBondContact O-N 3.41Å; I480-L483 PolarHBondContact O-N 3.3Å; L483-F486 WeakPolarHBondContact O-CB 3.3Å; L483-F486 PolarHBondContact O-N 3.36Å; L483-K487 WeakPolarHBondContact O-CG 3.42Å; L483-K487 PolarHBondContact O-N 3.01Å; L483-E514 HydrophobicContact CD1-CB 4.37Å; L483-L515 HydrophobicContact CD1-CD2 4.37Å; L483-I518 HydrophobicContact CD1-CD1 3.36Å; L483-I518 HydrophobicContact CD2-CD1 4.15Å; L483-I518 HydrophobicContact CG-CD1 3.91Å; L483-Y576 WeakPolarHBondContact CA-OH 3.33Å; L483-Y576 PolarHBondContact N-OH 2.95Å
484N96.5Very high93.5Very high73 Ų7349.3 Ų49.339%0.3926%0.263SS..Hα-helixtrans-64-43.8175.9-71.8-24.6000111.7I480 A481 R482 F486 K487 Q488I480-N484 VanDerWaalsContact O-CG 3.3Å; I480-N484 PolarHBondContact O-N 3.39Å; I480-N484 PolarHBondContact O-ND2 3.42Å; A481-N484 PolarHBondContact O-N 3.17Å; R482-N484 VanDerWaalsContact C-N 3.31Å; R482-N484 PolarHBondContact O-N 3.02Å; N484-F486 VanDerWaalsContact C-N 3.33Å; N484-F486 PolarHBondContact O-N 2.76Å; N484-K487 PolarHBondContact O-N 2.9Å; N484-Q488 WeakPolarHBondContact O-CG 3.17Å; N484-Q488 PolarHBondContact O-N 2.88Å
485A95.9Very high94Very high9 Ų952 Ų527%0.07426%0.262CS..Hα-helixtrans-62.2-40.1175.200000111.9F403 A481 R482 Q488 R489 L605F403-A485 HydrophobicContact CB-CB 3.74Å; F403-A485 HydrophobicContact CD1-CB 4.12Å; F403-A485 HydrophobicContact CG-CB 3.96Å; A481-A485 WeakPolarHBondContact O-CB 3.3Å; A481-A485 PolarHBondContact O-N 3.22Å; R482-A485 PolarHBondContact O-N 3.02Å; A485-Q488 PolarHBondContact O-N 3.41Å; A485-R489 WeakPolarHBondContact O-CB 3.36Å; A485-R489 PolarHBondContact O-N 3.34Å; A485-L605 HydrophobicContact CB-CD1 3.87Å
486F97.2Very high94.3Very high0 Ų056.6 Ų56.60%026%0.256CS..Hα-helixtrans-61-49.1173.8177.9-89000111.8R482 L483 N484 Q488 R489 I490 L491 L494 L515 Y576 L605R482-F486 PolarHBondContact O-N 3Å; L483-F486 WeakPolarHBondContact O-CB 3.3Å; L483-F486 PolarHBondContact O-N 3.36Å; N484-F486 VanDerWaalsContact C-N 3.33Å; N484-F486 PolarHBondContact O-N 2.76Å; F486-Q488 VanDerWaalsContact C-N 3.27Å; F486-Q488 PolarHBondContact O-N 3.17Å; F486-R489 PolarHBondContact O-N 2.89Å; F486-I490 HydrophobicContact CD2-CB 3.77Å; F486-I490 HydrophobicContact CD2-CD1 3.8Å; F486-I490 HydrophobicContact CD2-CG1 4.35Å; F486-I490 HydrophobicContact CD2-CG2 3.86Å; F486-I490 HydrophobicContact CE2-CB 3.92Å; F486-I490 HydrophobicContact CE2-CD1 4.37Å; F486-I490 HydrophobicContact CE2-CG2 3.48Å; F486-I490 VanDerWaalsContact CE2-CG2 3.48Å; F486-I490 HydrophobicContact CG-CB 4.33Å; F486-I490 HydrophobicContact CZ-CG2 4.1Å; F486-I490 WeakPolarHBondContact O-CA 3.39Å; F486-I490 PolarHBondContact O-N 3.45Å; F486-L491 HydrophobicContact CD1-CB 4.41Å; F486-L491 HydrophobicContact CE1-CB 4.16Å; F486-L491 HydrophobicContact CE1-CD1 4.33Å; F486-L491 PolarHBondContact O-N 3.43Å; F486-L494 HydrophobicContact CE2-CD1 4.39Å; F486-L494 HydrophobicContact CZ-CD1 3.77Å; F486-L515 HydrophobicContact CD1-CD2 3.65Å; F486-L515 HydrophobicContact CD2-CD2 4.1Å; F486-L515 HydrophobicContact CE1-CD2 3.5Å; F486-L515 HydrophobicContact CE2-CD2 3.96Å; F486-L515 HydrophobicContact CG-CD2 3.96Å; F486-L515 HydrophobicContact CZ-CD2 3.67Å; F486-Y576 HydrophobicContact CB-CD2 4.33Å; F486-Y576 HydrophobicContact CB-CE2 3.76Å; F486-Y576 AromaticContact CD2-CD2 3.75Å; F486-Y576 HydrophobicContact CD2-CD2 3.75Å; F486-Y576 AromaticContact CD2-CE2 3.95Å; F486-Y576 HydrophobicContact CD2-CE2 3.95Å; F486-Y576 HydrophobicContact CE2-CD2 4.4Å; F486-Y576 HydrophobicContact CG-CD2 4.22Å; F486-Y576 AromaticContact CG-CE2 3.92Å; F486-Y576 HydrophobicContact CG-CE2 3.92Å; F486-L605 HydrophobicContact CB-CD2 4.11Å
487K96.6Very high94.2Very high88 Ų8853.9 Ų53.938%0.38326%0.258SS..Hα-helixtrans-58.2-37.6177.3-75.1175.4-179.4176.80112.7L483 N484 L491 P492 I518L483-K487 WeakPolarHBondContact O-CG 3.42Å; L483-K487 PolarHBondContact O-N 3.01Å; N484-K487 PolarHBondContact O-N 2.9Å; K487-L491 HydrophobicContact CG-CD2 4.36Å; K487-P492 WeakPolarHBondContact O-CD 3.43Å; K487-I518 HydrophobicContact CD-CD1 4.46Å; K487-I518 HydrophobicContact CG-CD1 4.32Å
488Q95.7Very high93.9Very high147 Ų14754.6 Ų54.669%0.68727%0.268SS*.Hα-helixtrans-81.2-41.6-177.5-71.1175.9-3.300113N484 A485 F486N484-Q488 WeakPolarHBondContact O-CG 3.17Å; N484-Q488 PolarHBondContact O-N 2.88Å; A485-Q488 PolarHBondContact O-N 3.41Å; F486-Q488 VanDerWaalsContact C-N 3.27Å; F486-Q488 PolarHBondContact O-N 3.17Å
489R94.4Very high93.7Very high132 Ų13253.8 Ų53.850%0.49826%0.263SS..Hα-helixtrans-107.1-28.1-166.8-64.1-172.4150.6-174.6-14.8114.7I401 S402 A485 F486I401-R489 HydrophobicContact CD1-CB 4.12Å; I401-R489 HydrophobicContact CG2-CB 4.31Å; I401-R489 HydrophobicContact CG2-CG 4.42Å; S402-R489 PolarHBondContact O-NH1 2.72Å; A485-R489 WeakPolarHBondContact O-CB 3.36Å; A485-R489 PolarHBondContact O-N 3.34Å; F486-R489 PolarHBondContact O-N 2.89Å
490I95Very high93.5Very high2 Ų255.9 Ų55.91%0.0128%0.276CS..THydrogen-bonded Turntrans-108.9-47.9-173.8-63171.6000111.1I401 F486 P492 R493 L494 I574 T603 L605I401-I490 HydrophobicContact CD1-CD1 4.28Å; I401-I490 HydrophobicContact CD1-CG1 3.93Å; F486-I490 HydrophobicContact CD2-CB 3.77Å; F486-I490 HydrophobicContact CD2-CD1 3.8Å; F486-I490 HydrophobicContact CD2-CG1 4.35Å; F486-I490 HydrophobicContact CD2-CG2 3.86Å; F486-I490 HydrophobicContact CE2-CB 3.92Å; F486-I490 HydrophobicContact CE2-CD1 4.37Å; F486-I490 HydrophobicContact CE2-CG2 3.48Å; F486-I490 VanDerWaalsContact CE2-CG2 3.48Å; F486-I490 HydrophobicContact CG-CB 4.33Å; F486-I490 HydrophobicContact CZ-CG2 4.1Å; F486-I490 WeakPolarHBondContact O-CA 3.39Å; F486-I490 PolarHBondContact O-N 3.45Å; I490-P492 VanDerWaalsContact C-CD 3.45Å; I490-R493 WeakPolarHBondContact O-CA 3.47Å; I490-R493 VanDerWaalsContact O-CB 3.31Å; I490-R493 WeakPolarHBondContact O-CB 3.41Å; I490-R493 PolarHBondContact O-N 3.43Å; I490-L494 HydrophobicContact CG2-CD1 4.09Å; I490-L494 HydrophobicContact CG2-CG 4.21Å; I490-L494 PolarHBondContact O-N 3.2Å; I490-I574 HydrophobicContact CD1-CG2 4.02Å; I490-I574 HydrophobicContact CG2-CD1 3.82Å; I490-I574 HydrophobicContact CG2-CG2 4.3Å; I490-T603 HydrophobicContact CD1-CG2 4.3Å; I490-L605 HydrophobicContact CD1-CB 4.25Å; I490-L605 HydrophobicContact CD1-CD2 4.28Å
491L95.3Very high93.3Very high3 Ų354.8 Ų54.82%0.01627%0.267CS..Hα-helixtrans-54.2-41.7-177.1-175.262000113.9F486 K487 R493 L494 R495 I518 L519 E522 L524F486-L491 HydrophobicContact CD1-CB 4.41Å; F486-L491 HydrophobicContact CE1-CB 4.16Å; F486-L491 HydrophobicContact CE1-CD1 4.33Å; F486-L491 PolarHBondContact O-N 3.43Å; K487-L491 HydrophobicContact CG-CD2 4.36Å; L491-R493 PolarHBondContact O-N 2.64Å; L491-L494 PolarHBondContact O-N 3.21Å; L491-L494 VanDerWaalsContact O-N 3.11Å; L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.48Å; L491-I518 HydrophobicContact CD1-CG2 4.24Å; L491-I518 HydrophobicContact CD2-CG2 3.82Å; L491-L519 HydrophobicContact CD1-CD2 4.29Å; L491-E522 HydrophobicContact CD1-CG 4.29Å; L491-E522 HydrophobicContact CD2-CG 4.38Å; L491-L524 HydrophobicContact CD1-CD1 4.29Å
492P94.6Very high93.4Very high47 Ų4754.3 Ų54.331%0.30526%0.263SS..Hα-helixtrans-63.6-28.4177.4-2335.8000113.4K487 I490 R496K487-P492 WeakPolarHBondContact O-CD 3.43Å; I490-P492 VanDerWaalsContact C-CD 3.45Å; P492-R496 WeakPolarHBondContact O-CG 3.29Å; P492-R496 PolarHBondContact O-N 2.9Å; P492-R496 PolarHBondContact O-NE 3.42Å
493R92.6Very high93.4Very high45 Ų4553.6 Ų53.617%0.1726%0.26CS..Hα-helixtrans-71.7-41.2174-60.7174.853176-2.9111.2I490 L491 R496 D499I490-R493 WeakPolarHBondContact O-CA 3.47Å; I490-R493 VanDerWaalsContact O-CB 3.31Å; I490-R493 WeakPolarHBondContact O-CB 3.41Å; I490-R493 PolarHBondContact O-N 3.43Å; L491-R493 PolarHBondContact O-N 2.64Å; R493-R496 PolarHBondContact O-N 3.12Å; R493-D499 IonicContact CZ-OD2 3.48Å; R493-D499 IonicContact NE-OD2 3.34Å; R493-D499 PolarHBondContact NE-OD2 3.04Å; R493-D499 IonicContact NH2-OD1 3.37Å; R493-D499 PolarHBondContact NH2-OD1 3.35Å; R493-D499 IonicContact NH2-OD2 3.58Å; R493-D499 PolarHBondContact NH2-OD2 2.9Å
494L93.9Very high93.4Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-62.8-45.1176.5-61.6179.7000111.3F486 I490 L491 R496 G497 V502 I504 L519 L524 R551 I552 I574F486-L494 HydrophobicContact CE2-CD1 4.39Å; F486-L494 HydrophobicContact CZ-CD1 3.77Å; I490-L494 HydrophobicContact CG2-CD1 4.09Å; I490-L494 HydrophobicContact CG2-CG 4.21Å; I490-L494 PolarHBondContact O-N 3.2Å; L491-L494 PolarHBondContact O-N 3.21Å; L491-L494 VanDerWaalsContact O-N 3.11Å; L494-R496 VanDerWaalsContact C-N 3.32Å; L494-R496 PolarHBondContact O-N 2.92Å; L494-G497 PolarHBondContact O-N 3.41Å; L494-V502 HydrophobicContact CD2-CG1 4.03Å; L494-V502 HydrophobicContact CD2-CG2 4.22Å; L494-I504 HydrophobicContact CD1-CD1 4.12Å; L494-L519 HydrophobicContact CD1-CD2 4.27Å; L494-L524 HydrophobicContact CB-CD1 4.31Å; L494-R551 PolarHBondContact O-NH1 3.42Å; L494-R551 PolarHBondContact O-NH2 2.79Å; L494-I552 HydrophobicContact CD2-CD1 4.45Å; L494-I574 HydrophobicContact CD2-CD1 3.96Å
495R93.1Very high93.5Very high126 Ų12649.2 Ų49.248%0.47524%0.237SC..Hα-helixtrans-56.1-41.5176-71.9-180-172.31582.9113.3L491 G497 E522L491-R495 WeakPolarHBondContact O-CG 3.34Å; L491-R495 PolarHBondContact O-N 3.48Å; R495-G497 PolarHBondContact O-N 3.43Å; R495-G497 VanDerWaalsContact O-N 3.14Å; R495-E522 IonicContact CZ-OE1 3.55Å; R495-E522 IonicContact CZ-OE2 2.65Å; R495-E522 IonicContact NE-OE1 3.73Å; R495-E522 IonicContact NE-OE2 3.75Å; R495-E522 PolarHBondContact NE-OE2 2.9Å; R495-E522 VanDerWaalsContact NH2-CD 3.31Å; R495-E522 IonicContact NH2-OE1 2.76Å; R495-E522 PolarHBondContact NH2-OE1 3.47Å; R495-E522 IonicContact NH2-OE2 2.68Å; R495-E522 PolarHBondContact NH2-OE2 3.16Å
496R92.1Very high93.6Very high175 Ų17548.8 Ų48.866%0.6623%0.233SC*.THydrogen-bonded Turntrans-66-12.7-177-80.3-173.4-67.8169.5-1115P492 R493 L494 S498P492-R496 WeakPolarHBondContact O-CG 3.29Å; P492-R496 PolarHBondContact O-N 2.9Å; P492-R496 PolarHBondContact O-NE 3.42Å; R493-R496 PolarHBondContact O-N 3.12Å; L494-R496 VanDerWaalsContact C-N 3.32Å; L494-R496 PolarHBondContact O-N 2.92Å; R496-S498 PolarHBondContact O-N 2.89Å
497G87.7Confident93.5Very high42 Ų4250.2 Ų50.243%0.43324%0.242SC..THydrogen-bonded Turntrans82.3-9.5-17700000115.1L494 R495 D499 R551L494-G497 PolarHBondContact O-N 3.41Å; R495-G497 PolarHBondContact O-N 3.43Å; R495-G497 VanDerWaalsContact O-N 3.14Å; G497-D499 PolarHBondContact O-N 3.08Å; G497-R551 VanDerWaalsContact CA-NH1 3.34Å; G497-R551 PolarHBondContact O-NH2 3.03Å
498S85.5Confident93.4Very high80 Ų8048.9 Ų48.956%0.55924%0.239SC*.  trans-70-34.9-164.4-48.30000114.8R496 P500R496-S498 PolarHBondContact O-N 2.89Å; S498-P500 VanDerWaalsContact O-CD 3.3Å; S498-P500 WeakPolarHBondContact O-CD 3.4Å
499D87.8Confident93.3Very high11 Ų1144.2 Ų44.26%0.05922%0.217CC..SBendtrans-85117-179-67.8-49.5000109.7R493 G497 V502 R551 T572R493-D499 IonicContact CZ-OD2 3.48Å; R493-D499 IonicContact NE-OD2 3.34Å; R493-D499 PolarHBondContact NE-OD2 3.04Å; R493-D499 IonicContact NH2-OD1 3.37Å; R493-D499 PolarHBondContact NH2-OD1 3.35Å; R493-D499 IonicContact NH2-OD2 3.58Å; R493-D499 PolarHBondContact NH2-OD2 2.9Å; G497-D499 PolarHBondContact O-N 3.08Å; D499-V502 HydrophobicContact CB-CG2 3.77Å; D499-V502 WeakPolarHBondContact O-CG2 3.4Å; D499-R551 PolarHBondContact O-NE 3.16Å; D499-R551 PolarHBondContact O-NH2 3.24Å; D499-T572 HydrophobicContact CB-CG2 4.07Å
500P88.2Confident93.3Very high59 Ų5945.2 Ų45.238%0.38322%0.222SC..  trans-82.7148.7176.334-35.9000111.3S498 V502 Q571 T572S498-P500 VanDerWaalsContact O-CD 3.3Å; S498-P500 WeakPolarHBondContact O-CD 3.4Å; P500-V502 PolarHBondContact O-N 2.72Å; P500-Q571 HydrophobicContact CG-CB 4.15Å; P500-T572 PolarHBondContact O-OG1 3.27Å
501R91.2Very high93.4Very high63 Ų6345.2 Ų45.224%0.23822%0.222CC..SBendtrans3773.3174.5-68-173.2-72.1-172.6-1.9112.9F545 R551 G569 Q571 T572R501-F545 HydrophobicContact CB-CE2 4.23Å; R501-F545 HydrophobicContact CB-CZ 4.13Å; R501-R551 CarbonylContact C-O 3.42Å; R501-R551 WeakPolarHBondContact CA-O 3.48Å; R501-G569 WeakPolarHBondContact CB-O 3.2Å; R501-G569 VanDerWaalsContact CD-O 3.27Å; R501-G569 WeakPolarHBondContact CD-O 3.4Å; R501-G569 PolarHBondContact NE-O 3.35Å; R501-G569 VanDerWaalsContact NE-O 3.1Å; R501-Q571 PolarHBondContact O-N 2.95Å; R501-Q571 VanDerWaalsContact O-N 3.07Å; R501-T572 PolarHBondContact O-N 2.98Å
502V95.4Very high93.5Very high0 Ų045.1 Ų45.10%022%0.221CC..EExtended strand (participates in β ladder)trans-88.5118.8-172.9-173.30000110.3L494 D499 P500 I504 R551 I552 L553 T572 I574L494-V502 HydrophobicContact CD2-CG1 4.03Å; L494-V502 HydrophobicContact CD2-CG2 4.22Å; D499-V502 HydrophobicContact CB-CG2 3.77Å; D499-V502 WeakPolarHBondContact O-CG2 3.4Å; P500-V502 PolarHBondContact O-N 2.72Å; V502-I504 HydrophobicContact CG1-CG1 3.95Å; V502-R551 PolarHBondContact N-O 3.26Å; V502-I552 HydrophobicContact CB-CG1 4.28Å; V502-I552 CarbonylContact O-C 3.53Å; V502-I552 WeakPolarHBondContact O-CA 3.19Å; V502-L553 PolarHBondContact O-N 3.48Å; V502-T572 CarbonylContact C-O 3.59Å; V502-T572 WeakPolarHBondContact CA-O 3.29Å; V502-T572 HydrophobicContact CG1-CG2 4.37Å; V502-T572 HydrophobicContact CG2-CG2 4.48Å; V502-I574 HydrophobicContact CG1-CD1 3.53Å; V502-I574 HydrophobicContact CG1-CG1 3.97Å
503L96.2Very high93.6Very high3 Ų345.8 Ų45.82%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-98116.2168.5179.463.5000109.4F545 L553 I555 I567 P570 T572 F573 I574 L588L503-F545 HydrophobicContact CB-CZ 4.36Å; L503-L553 WeakPolarHBondContact CA-O 3.27Å; L503-L553 HydrophobicContact CD1-CB 4.17Å; L503-L553 HydrophobicContact CD1-CD2 3.99Å; L503-L553 HydrophobicContact CD1-CG 4.06Å; L503-I555 HydrophobicContact CD1-CD1 3.86Å; L503-I555 HydrophobicContact CD1-CG1 3.94Å; L503-I555 HydrophobicContact CD1-CG2 4.01Å; L503-I555 HydrophobicContact CD2-CD1 4.27Å; L503-I555 HydrophobicContact CG-CD1 4.35Å; L503-I567 HydrophobicContact CD1-CD1 4.06Å; L503-I567 HydrophobicContact CD1-CG2 4.47Å; L503-I567 HydrophobicContact CD2-CD1 4.08Å; L503-I567 HydrophobicContact CD2-CG2 4.41Å; L503-P570 HydrophobicContact CB-CB 3.98Å; L503-P570 HydrophobicContact CD2-CB 4.36Å; L503-T572 PolarHBondContact N-O 3.01Å; L503-F573 HydrophobicContact CD2-CD1 4.12Å; L503-F573 HydrophobicContact CD2-CE1 4.13Å; L503-I574 PolarHBondContact O-N 3.46Å; L503-L588 HydrophobicContact CD2-CD2 4.3Å
504I97.4Very high93.8Very high0 Ų046.3 Ų46.30%023%0.225CC..EExtended strand (participates in β ladder)trans-100.8112.4174.1-52.3-178.1000108.5L494 V502 V506 L515 I552 L553 L554 I555 I574L494-I504 HydrophobicContact CD1-CD1 4.12Å; V502-I504 HydrophobicContact CG1-CG1 3.95Å; I504-V506 HydrophobicContact CG2-CG2 4Å; I504-L515 HydrophobicContact CG2-CD1 4.42Å; I504-I552 HydrophobicContact CD1-CG2 3.78Å; I504-I552 HydrophobicContact CG1-CG2 4.12Å; I504-L553 PolarHBondContact N-O 2.97Å; I504-L554 HydrophobicContact CB-CG 4.2Å; I504-L554 HydrophobicContact CD1-CG 4.46Å; I504-L554 WeakPolarHBondContact O-CA 3.17Å; I504-I555 PolarHBondContact O-N 3.44Å; I504-I574 CarbonylContact C-O 3.52Å; I504-I574 VanDerWaalsContact CA-O 3.29Å; I504-I574 WeakPolarHBondContact CA-O 3.2Å; I504-I574 HydrophobicContact CG1-CB 4.24Å; I504-I574 HydrophobicContact CG1-CD1 4.48Å; I504-I574 HydrophobicContact CG2-CG2 4.49Å
505Y97.8Very high93.9Very high2 Ų246.3 Ų46.31%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-93.3126.7174.8-176.3-84.1000110.1P507 I555 E557 Y560 I574 F575 Y576 P579 F584 L588Y505-P507 HydrophobicContact CE1-CG 4.32Å; Y505-I555 HydrophobicContact CD2-CD1 3.7Å; Y505-I555 HydrophobicContact CD2-CG1 3.89Å; Y505-I555 HydrophobicContact CE2-CD1 4.38Å; Y505-E557 HydrophobicContact CE1-CB 3.96Å; Y505-E557 HydrophobicContact CE2-CB 4.49Å; Y505-E557 VanDerWaalsContact OH-CA 3.27Å; Y505-E557 WeakPolarHBondContact OH-CA 3.48Å; Y505-E557 WeakPolarHBondContact OH-CB 3.47Å; Y505-E557 WeakPolarHBondContact OH-CG 3.43Å; Y505-E557 PolarHBondContact OH-OE1 3.29Å; Y505-Y560 HydrophobicContact CE2-CD1 4.16Å; Y505-Y560 HydrophobicContact CE2-CG 4.45Å; Y505-I574 PolarHBondContact N-O 3.33Å; Y505-F575 AromaticContact CD1-CD1 3.71Å; Y505-F575 HydrophobicContact CD1-CD1 3.71Å; Y505-F575 HydrophobicContact CD1-CE1 4.13Å; Y505-F575 HydrophobicContact CD2-CE1 4.44Å; Y505-F575 AromaticContact CG-CD1 3.8Å; Y505-F575 HydrophobicContact CG-CD1 3.8Å; Y505-F575 AromaticContact CG-CE1 3.9Å; Y505-F575 HydrophobicContact CG-CE1 3.9Å; Y505-Y576 WeakPolarHBondContact O-CB 3.48Å; Y505-Y576 PolarHBondContact O-N 2.68Å; Y505-P579 HydrophobicContact CD1-CG 4.05Å; Y505-P579 HydrophobicContact CE1-CB 3.79Å; Y505-P579 HydrophobicContact CE1-CG 3.65Å; Y505-F584 WeakPolarHBondContact OH-CD2 3.48Å; Y505-L588 HydrophobicContact CD2-CD1 3.58Å; Y505-L588 HydrophobicContact CE2-CD1 3.93Å; Y505-L588 HydrophobicContact CG-CD1 4.38Å
506V97.7Very high94.1Very high0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-123.5116.9-175.9-165.80000109.7I504 D508 D511 L512 L515 I555 T556 E557 Y576I504-V506 HydrophobicContact CG2-CG2 4Å; V506-D508 VanDerWaalsContact CG1-O 3.24Å; V506-D508 WeakPolarHBondContact CG1-O 3.21Å; V506-D511 HydrophobicContact CG1-CB 3.83Å; V506-L512 HydrophobicContact CB-CB 4.19Å; V506-L512 HydrophobicContact CG1-CB 4.08Å; V506-L512 HydrophobicContact CG2-CB 4.32Å; V506-L512 HydrophobicContact CG2-CD1 4.35Å; V506-L515 HydrophobicContact CG1-CD1 4.4Å; V506-L515 HydrophobicContact CG2-CD1 3.75Å; V506-I555 PolarHBondContact N-O 2.98Å; V506-T556 CarbonylContact O-C 3.51Å; V506-T556 VanDerWaalsContact O-CA 3.3Å; V506-T556 WeakPolarHBondContact O-CA 3.47Å; V506-E557 PolarHBondContact O-N 3.27Å; V506-Y576 HydrophobicContact CG1-CD1 3.89Å; V506-Y576 HydrophobicContact CG1-CG 4.4Å
507P95.4Very high94.3Very high29 Ų2940.3 Ų40.319%0.18821%0.206CC..SBendtrans-61.3-44.6178-26.535.8000113.7Y505 G577Y505-P507 HydrophobicContact CE1-CG 4.32Å; P507-G577 WeakPolarHBondContact CG-O 3.29Å
508D93.6Very high94.7Very high60 Ų6039.4 Ų39.432%0.32119%0.191SC..SBendtrans-103139.8-175.2-175.336.2000112.8V506 Y510 D511 L512V506-D508 VanDerWaalsContact CG1-O 3.24Å; V506-D508 WeakPolarHBondContact CG1-O 3.21Å; D508-Y510 WeakPolarHBondContact OD2-CB 3.42Å; D508-D511 HydrophobicContact CB-CB 4.22Å; D508-L512 PolarHBondContact O-N 3.48Å
509F94.7Very high95.2Very high50 Ų5035.6 Ų35.622%0.21917%0.165CC..Hα-helixtrans-67.6-39.1-179.1171.6-96.7000112L512 E513 N530 Y532 T556F509-L512 WeakPolarHBondContact O-CB 3.4Å; F509-L512 PolarHBondContact O-N 2.99Å; F509-L512 VanDerWaalsContact O-N 3.14Å; F509-E513 PolarHBondContact O-N 3.47Å; F509-E513 VanDerWaalsContact O-N 3.15Å; F509-N530 HydrophobicContact CD2-CB 4Å; F509-N530 HydrophobicContact CE2-CB 3.97Å; F509-Y532 HydrophobicContact CD2-CD2 4.27Å; F509-Y532 HydrophobicContact CD2-CE2 4.17Å; F509-Y532 HydrophobicContact CE1-CE2 4.42Å; F509-Y532 AromaticContact CE2-CD2 3.77Å; F509-Y532 HydrophobicContact CE2-CD2 3.77Å; F509-Y532 AromaticContact CE2-CE2 3.97Å; F509-Y532 HydrophobicContact CE2-CE2 3.97Å; F509-Y532 HydrophobicContact CG-CE2 4.49Å; F509-Y532 HydrophobicContact CZ-CD2 4.08Å; F509-Y532 HydrophobicContact CZ-CE2 4.11Å; F509-T556 HydrophobicContact CD2-CG2 4.25Å
510Y94.8Very high95.6Very high153 Ų15339.1 Ų39.160%0.618%0.183SC*.Hα-helixtrans-66.5-40-179.6-60-75.4000111.7D508 L512 E513 E514D508-Y510 WeakPolarHBondContact OD2-CB 3.42Å; Y510-L512 VanDerWaalsContact C-N 3.26Å; Y510-L512 PolarHBondContact O-N 3.29Å; Y510-E513 PolarHBondContact O-N 3.14Å; Y510-E514 PolarHBondContact O-N 2.83Å; Y510-E514 VanDerWaalsContact O-N 3.1Å
511D96.2Very high96Very high2 Ų240.2 Ų40.21%0.01120%0.197CC..Hα-helixtrans-60.6-35.5173-76-11.6000111.4R476 S479 R482 V506 D508 E514 L515 Y576R476-D511 IonicContact NH2-OD1 3.56Å; S479-D511 WeakPolarHBondContact CB-OD1 3.45Å; S479-D511 PolarHBondContact OG-OD1 3.34Å; R482-D511 IonicContact NH1-OD2 2.68Å; R482-D511 PolarHBondContact NH1-OD2 3.3Å; V506-D511 HydrophobicContact CG1-CB 3.83Å; D508-D511 HydrophobicContact CB-CB 4.22Å; D511-E514 PolarHBondContact O-N 3.26Å; D511-L515 VanDerWaalsContact O-CG 3.29Å; D511-L515 WeakPolarHBondContact O-CG 3.11Å; D511-L515 PolarHBondContact O-N 2.93Å; D511-Y576 HydrophobicContact CB-CD1 4.08Å; D511-Y576 HydrophobicContact CB-CE1 3.54Å; D511-Y576 WeakPolarHBondContact OD2-CE1 3.09Å
512L97.2Very high96.1Very high1 Ų140.5 Ų40.51%0.00520%0.201CC..Hα-helixtrans-65.6-40.8175.6-179.4145.5000111.7V506 D508 F509 Y510 L515 R516 C528 L554 T556V506-L512 HydrophobicContact CB-CB 4.19Å; V506-L512 HydrophobicContact CG1-CB 4.08Å; V506-L512 HydrophobicContact CG2-CB 4.32Å; V506-L512 HydrophobicContact CG2-CD1 4.35Å; D508-L512 PolarHBondContact O-N 3.48Å; F509-L512 WeakPolarHBondContact O-CB 3.4Å; F509-L512 PolarHBondContact O-N 2.99Å; F509-L512 VanDerWaalsContact O-N 3.14Å; Y510-L512 VanDerWaalsContact C-N 3.26Å; Y510-L512 PolarHBondContact O-N 3.29Å; L512-L515 PolarHBondContact O-N 3.07Å; L512-R516 WeakPolarHBondContact O-CB 3.4Å; L512-R516 PolarHBondContact O-N 2.99Å; L512-C528 HydrophobicContact CD2-CB 4.35Å; L512-L554 HydrophobicContact CD1-CB 3.96Å; L512-L554 HydrophobicContact CG-CB 4.46Å; L512-L554 HydrophobicContact CG-CD2 4.32Å; L512-T556 HydrophobicContact CB-CG2 4.22Å; L512-T556 HydrophobicContact CD1-CG2 3.56Å; L512-T556 HydrophobicContact CG-CG2 4.37Å
513E96.7Very high96Very high60 Ų6045.8 Ų45.828%0.2824%0.238SC..Hα-helixtrans-65.5-39.9178.2-177.452.4-14400111.4F509 Y510 R516 Q517F509-E513 PolarHBondContact O-N 3.47Å; F509-E513 VanDerWaalsContact O-N 3.15Å; Y510-E513 PolarHBondContact O-N 3.14Å; E513-R516 VanDerWaalsContact CD-NE 3.31Å; E513-R516 WeakPolarHBondContact O-CB 3.47Å; E513-R516 PolarHBondContact O-N 3.48Å; E513-R516 IonicContact OE1-CZ 3.67Å; E513-R516 IonicContact OE1-NE 3.52Å; E513-R516 PolarHBondContact OE1-NE 3.14Å; E513-R516 VanDerWaalsContact OE1-NE 3.07Å; E513-R516 IonicContact OE1-NH2 3.19Å; E513-R516 PolarHBondContact OE1-NH2 3.21Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NE 3.33Å; E513-R516 PolarHBondContact OE2-NE 3.23Å; E513-R516 IonicContact OE2-NH2 3.2Å; E513-R516 PolarHBondContact OE2-NH2 2.94Å; E513-Q517 WeakPolarHBondContact O-CG 3.42Å; E513-Q517 PolarHBondContact O-N 3.03Å; E513-Q517 VanDerWaalsContact O-N 3.11Å; E513-Q517 PolarHBondContact OE1-NE2 3.07Å
514E96.3Very high95.9Very high56 Ų5647 Ų4726%0.26224%0.244SC..Hα-helixtrans-63.7-41.7173.5-71.2-178.1-178.600112.4R476 L483 Y510 D511 R516 Q517 I518R476-E514 IonicContact CZ-OE1 2.95Å; R476-E514 IonicContact NH1-OE1 2.64Å; R476-E514 VanDerWaalsContact NH2-CD 3.32Å; R476-E514 IonicContact NH2-OE1 3.03Å; R476-E514 PolarHBondContact NH2-OE1 3.15Å; R476-E514 IonicContact NH2-OE2 3.82Å; L483-E514 HydrophobicContact CD1-CB 4.37Å; Y510-E514 PolarHBondContact O-N 2.83Å; Y510-E514 VanDerWaalsContact O-N 3.1Å; D511-E514 PolarHBondContact O-N 3.26Å; E514-R516 VanDerWaalsContact C-N 3.32Å; E514-R516 PolarHBondContact O-N 2.77Å; E514-Q517 PolarHBondContact O-N 3.24Å; E514-I518 WeakPolarHBondContact O-CG1 3.24Å; E514-I518 PolarHBondContact O-N 3.08Å; E514-I518 VanDerWaalsContact O-N 3.15Å
515L97Very high95.7Very high0 Ų051.6 Ų51.60%027%0.269CS..Hα-helixtrans-61.9-41.4173.6-73.1173.8000111.6L483 F486 I504 V506 D511 L512 Q517 I518 L519 L554 Y576L483-L515 HydrophobicContact CD1-CD2 4.37Å; F486-L515 HydrophobicContact CD1-CD2 3.65Å; F486-L515 HydrophobicContact CD2-CD2 4.1Å; F486-L515 HydrophobicContact CE1-CD2 3.5Å; F486-L515 HydrophobicContact CE2-CD2 3.96Å; F486-L515 HydrophobicContact CG-CD2 3.96Å; F486-L515 HydrophobicContact CZ-CD2 3.67Å; I504-L515 HydrophobicContact CG2-CD1 4.42Å; V506-L515 HydrophobicContact CG1-CD1 4.4Å; V506-L515 HydrophobicContact CG2-CD1 3.75Å; D511-L515 VanDerWaalsContact O-CG 3.29Å; D511-L515 WeakPolarHBondContact O-CG 3.11Å; D511-L515 PolarHBondContact O-N 2.93Å; L512-L515 PolarHBondContact O-N 3.07Å; L515-Q517 VanDerWaalsContact C-N 3.33Å; L515-Q517 PolarHBondContact O-N 2.96Å; L515-I518 PolarHBondContact O-N 2.94Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3Å; L515-L519 PolarHBondContact O-N 3.17Å; L515-L554 HydrophobicContact CB-CD2 3.92Å; L515-Y576 HydrophobicContact CD1-CD1 4.34Å; L515-Y576 HydrophobicContact CD1-CD2 3.69Å; L515-Y576 HydrophobicContact CD1-CE2 3.98Å; L515-Y576 HydrophobicContact CD1-CG 3.88Å; L515-Y576 HydrophobicContact CD2-CD2 4.05Å; L515-Y576 HydrophobicContact CD2-CE2 3.72Å; L515-Y576 HydrophobicContact CG-CD2 4.3Å; L515-Y576 HydrophobicContact CG-CE2 4.1Å
516R96.8Very high95.6Very high80 Ų8052.8 Ų52.830%0.30227%0.274SS..Hα-helixtrans-56.8-47.2176.7-171.8-179.674.286.6-8.7111.1L512 E513 E514 I518 L519 L520 F526L512-R516 WeakPolarHBondContact O-CB 3.4Å; L512-R516 PolarHBondContact O-N 2.99Å; E513-R516 VanDerWaalsContact CD-NE 3.31Å; E513-R516 WeakPolarHBondContact O-CB 3.47Å; E513-R516 PolarHBondContact O-N 3.48Å; E513-R516 IonicContact OE1-CZ 3.67Å; E513-R516 IonicContact OE1-NE 3.52Å; E513-R516 PolarHBondContact OE1-NE 3.14Å; E513-R516 VanDerWaalsContact OE1-NE 3.07Å; E513-R516 IonicContact OE1-NH2 3.19Å; E513-R516 PolarHBondContact OE1-NH2 3.21Å; E513-R516 IonicContact OE2-CZ 2.72Å; E513-R516 IonicContact OE2-NE 3.33Å; E513-R516 PolarHBondContact OE2-NE 3.23Å; E513-R516 IonicContact OE2-NH2 3.2Å; E513-R516 PolarHBondContact OE2-NH2 2.94Å; E514-R516 VanDerWaalsContact C-N 3.32Å; E514-R516 PolarHBondContact O-N 2.77Å; R516-I518 VanDerWaalsContact C-N 3.34Å; R516-I518 PolarHBondContact O-N 3.38Å; R516-L519 PolarHBondContact O-N 3.24Å; R516-L520 HydrophobicContact CG-CD1 4.21Å; R516-L520 WeakPolarHBondContact O-CB 3.46Å; R516-L520 VanDerWaalsContact O-CG 3.27Å; R516-L520 WeakPolarHBondContact O-CG 3.47Å; R516-L520 PolarHBondContact O-N 2.84Å; R516-F526 HydrophobicContact CG-CE2 3.84Å; R516-F526 HydrophobicContact CG-CZ 3.75Å
517Q96.3Very high95.5Very high96 Ų9653.6 Ų53.645%0.44928%0.28SS..Hα-helixtrans-61.5-42178.2-63.3-55.8-33.800112.3E513 E514 L515 A521E513-Q517 WeakPolarHBondContact O-CG 3.42Å; E513-Q517 PolarHBondContact O-N 3.03Å; E513-Q517 VanDerWaalsContact O-N 3.11Å; E513-Q517 PolarHBondContact OE1-NE2 3.07Å; E514-Q517 PolarHBondContact O-N 3.24Å; L515-Q517 VanDerWaalsContact C-N 3.33Å; L515-Q517 PolarHBondContact O-N 2.96Å; Q517-A521 WeakPolarHBondContact O-CB 3.35Å; Q517-A521 PolarHBondContact O-N 3.21Å
518I96.5Very high95.6Very high23 Ų2353.1 Ų53.112%0.11828%0.277CS..Hα-helixtrans-65.2-46.9178.1-68.5168000111.1L483 K487 L491 E514 L515 R516 L520 A521 E522L483-I518 HydrophobicContact CD1-CD1 3.36Å; L483-I518 HydrophobicContact CD2-CD1 4.15Å; L483-I518 HydrophobicContact CG-CD1 3.91Å; K487-I518 HydrophobicContact CD-CD1 4.46Å; K487-I518 HydrophobicContact CG-CD1 4.32Å; L491-I518 HydrophobicContact CD1-CG2 4.24Å; L491-I518 HydrophobicContact CD2-CG2 3.82Å; E514-I518 WeakPolarHBondContact O-CG1 3.24Å; E514-I518 PolarHBondContact O-N 3.08Å; E514-I518 VanDerWaalsContact O-N 3.15Å; L515-I518 PolarHBondContact O-N 2.94Å; R516-I518 VanDerWaalsContact C-N 3.34Å; R516-I518 PolarHBondContact O-N 3.38Å; I518-L520 VanDerWaalsContact C-N 3.3Å; I518-L520 PolarHBondContact O-N 3.18Å; I518-A521 PolarHBondContact O-N 3.42Å; I518-E522 HydrophobicContact CG2-CG 4.47Å; I518-E522 WeakPolarHBondContact O-CG 3.28Å; I518-E522 PolarHBondContact O-N 3.26Å; I518-E522 VanDerWaalsContact O-N 3.08Å
519L96Very high95.7Very high0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-66.7-33.8-178.2-63.9175.8000111.9L491 L494 L515 R516 E522 S523 L524 F526 L554L491-L519 HydrophobicContact CD1-CD2 4.29Å; L494-L519 HydrophobicContact CD1-CD2 4.27Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3Å; L515-L519 PolarHBondContact O-N 3.17Å; R516-L519 PolarHBondContact O-N 3.24Å; L519-E522 PolarHBondContact O-N 3.26Å; L519-S523 PolarHBondContact O-N 3.32Å; L519-L524 HydrophobicContact CD2-CD1 3.53Å; L519-L524 PolarHBondContact O-N 3.1Å; L519-L524 VanDerWaalsContact O-N 3.08Å; L519-F526 HydrophobicContact CB-CD1 3.55Å; L519-F526 HydrophobicContact CB-CE1 3.39Å; L519-F526 HydrophobicContact CB-CG 4.39Å; L519-F526 HydrophobicContact CB-CZ 4.13Å; L519-F526 HydrophobicContact CD1-CD1 4.1Å; L519-F526 HydrophobicContact CD1-CE1 4.48Å; L519-F526 HydrophobicContact CD1-CG 4.15Å; L519-F526 HydrophobicContact CG-CD1 4.47Å; L519-L554 HydrophobicContact CD1-CD1 3.57Å; L519-L554 HydrophobicContact CD1-CD2 3.9Å; L519-L554 HydrophobicContact CD1-CG 4.28Å
520L96.3Very high95.8Very high84 Ų8449.1 Ų49.144%0.4426%0.258SS..Hα-helixtrans-64.7-46.4171.4-73.5172.7000111.9R516 I518 E522 S523 F526R516-L520 HydrophobicContact CG-CD1 4.21Å; R516-L520 WeakPolarHBondContact O-CB 3.46Å; R516-L520 VanDerWaalsContact O-CG 3.27Å; R516-L520 WeakPolarHBondContact O-CG 3.47Å; R516-L520 PolarHBondContact O-N 2.84Å; I518-L520 VanDerWaalsContact C-N 3.3Å; I518-L520 PolarHBondContact O-N 3.18Å; L520-E522 PolarHBondContact O-N 3.03Å; L520-S523 PolarHBondContact O-N 3.45Å; L520-F526 HydrophobicContact CD2-CE1 3.91Å; L520-F526 HydrophobicContact CD2-CZ 3.88Å; L520-F526 HydrophobicContact CG-CE1 3.98Å; L520-F526 HydrophobicContact CG-CZ 3.79Å
521A96.1Very high95.7Very high82 Ų8243.5 Ų43.568%0.67824%0.237SC*.Hα-helixtrans-60-29.2177.900000112.4Q517 I518 S523Q517-A521 WeakPolarHBondContact O-CB 3.35Å; Q517-A521 PolarHBondContact O-N 3.21Å; I518-A521 PolarHBondContact O-N 3.42Å; A521-S523 VanDerWaalsContact C-N 3.35Å
522E93.7Very high95.7Very high69 Ų6951 Ų5132%0.32227%0.266SS..THydrogen-bonded Turntrans-89.93.3178.2-62.6-73.8166.100113.4L491 R495 I518 L519 L520 L524L491-E522 HydrophobicContact CD1-CG 4.29Å; L491-E522 HydrophobicContact CD2-CG 4.38Å; R495-E522 IonicContact CZ-OE1 3.55Å; R495-E522 IonicContact CZ-OE2 2.65Å; R495-E522 IonicContact NE-OE1 3.73Å; R495-E522 IonicContact NE-OE2 3.75Å; R495-E522 PolarHBondContact NE-OE2 2.9Å; R495-E522 VanDerWaalsContact NH2-CD 3.31Å; R495-E522 IonicContact NH2-OE1 2.76Å; R495-E522 PolarHBondContact NH2-OE1 3.47Å; R495-E522 IonicContact NH2-OE2 2.68Å; R495-E522 PolarHBondContact NH2-OE2 3.16Å; I518-E522 HydrophobicContact CG2-CG 4.47Å; I518-E522 WeakPolarHBondContact O-CG 3.28Å; I518-E522 PolarHBondContact O-N 3.26Å; I518-E522 VanDerWaalsContact O-N 3.08Å; L519-E522 PolarHBondContact O-N 3.26Å; L520-E522 PolarHBondContact O-N 3.03Å; E522-L524 HydrophobicContact CB-CD1 4.08Å; E522-L524 HydrophobicContact CB-CG 4.05Å; E522-L524 PolarHBondContact O-N 3.05Å
523S93.8Very high95.6Very high111 Ų11151.7 Ų51.778%0.77627%0.27SS*.THydrogen-bonded Turntrans53.635.5-178.8-560000113.8L519 L520 A521L519-S523 PolarHBondContact O-N 3.32Å; L520-S523 PolarHBondContact O-N 3.45Å; A521-S523 VanDerWaalsContact C-N 3.35Å
524L94Very high95.6Very high28 Ų2855.3 Ų55.315%0.14729%0.287CS..  trans-84139.3176.6-66.3171.8000110.2L491 L494 L519 E522 F526 I552L491-L524 HydrophobicContact CD1-CD1 4.29Å; L494-L524 HydrophobicContact CB-CD1 4.31Å; L519-L524 HydrophobicContact CD2-CD1 3.53Å; L519-L524 PolarHBondContact O-N 3.1Å; L519-L524 VanDerWaalsContact O-N 3.08Å; E522-L524 HydrophobicContact CB-CD1 4.08Å; E522-L524 HydrophobicContact CB-CG 4.05Å; E522-L524 PolarHBondContact O-N 3.05Å; L524-F526 WeakPolarHBondContact O-CD1 3.35Å; L524-F526 PolarHBondContact O-N 3.38Å; L524-I552 HydrophobicContact CB-CD1 4.45Å
525D91.8Very high95.4Very high97 Ų9756.3 Ų56.352%0.51929%0.294SS..  trans-79.8118.4173.7-179.942.4000110.7
526F95.9Very high95.4Very high28 Ų2860 Ų6012%0.12332%0.321CS..EExtended strand (participates in β ladder)trans-152.1159.2-179.371.5-91.7000112.2R516 L519 L520 L524 C528 I552 L554R516-F526 HydrophobicContact CG-CE2 3.84Å; R516-F526 HydrophobicContact CG-CZ 3.75Å; L519-F526 HydrophobicContact CB-CD1 3.55Å; L519-F526 HydrophobicContact CB-CE1 3.39Å; L519-F526 HydrophobicContact CB-CG 4.39Å; L519-F526 HydrophobicContact CB-CZ 4.13Å; L519-F526 HydrophobicContact CD1-CD1 4.1Å; L519-F526 HydrophobicContact CD1-CE1 4.48Å; L519-F526 HydrophobicContact CD1-CG 4.15Å; L519-F526 HydrophobicContact CG-CD1 4.47Å; L520-F526 HydrophobicContact CD2-CE1 3.91Å; L520-F526 HydrophobicContact CD2-CZ 3.88Å; L520-F526 HydrophobicContact CG-CE1 3.98Å; L520-F526 HydrophobicContact CG-CZ 3.79Å; L524-F526 WeakPolarHBondContact O-CD1 3.35Å; L524-F526 PolarHBondContact O-N 3.38Å; F526-C528 WeakPolarHBondContact CE2-SG 3.3Å; F526-I552 CarbonylContact C-O 3.57Å; F526-I552 WeakPolarHBondContact CA-O 3.38Å; F526-I552 HydrophobicContact CB-CB 3.74Å; F526-I552 HydrophobicContact CB-CG2 4.08Å; F526-I552 WeakPolarHBondContact CB-O 3.34Å; F526-L554 HydrophobicContact CB-CD1 3.99Å; F526-L554 HydrophobicContact CD2-CD1 3.72Å; F526-L554 HydrophobicContact CG-CD1 4.03Å
527C96.4Very high95.4Very high17 Ų1760.2 Ų60.212%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-118.5152.4162.8-85.80000111.2F541 I550 I552 L553 L554C527-F541 HydrophobicContact CB-CB 3.99Å; C527-F541 HydrophobicContact CB-CD1 4.16Å; C527-F541 HydrophobicContact CB-CD2 3.96Å; C527-F541 HydrophobicContact CB-CE2 4.49Å; C527-F541 HydrophobicContact CB-CG 3.79Å; C527-F541 WeakPolarHBondContact SG-CD1 3.45Å; C527-I550 HydrophobicContact CB-CD1 4.06Å; C527-I550 WeakPolarHBondContact SG-CD1 3.33Å; C527-I552 PolarHBondContact N-O 3.26Å; C527-L553 HydrophobicContact CB-CD1 4.1Å; C527-L553 WeakPolarHBondContact O-CA 3.44Å; C527-L554 PolarHBondContact O-N 2.81Å
528C96.8Very high95.4Very high19 Ų1955.6 Ų55.613%0.12830%0.303CS..EExtended strand (participates in β ladder)trans-117.3137.4175.3-69.50000109.9L512 F526 F541 L554L512-C528 HydrophobicContact CD2-CB 4.35Å; F526-C528 WeakPolarHBondContact CE2-SG 3.3Å; C528-F541 WeakPolarHBondContact O-CD2 3.37Å; C528-L554 CarbonylContact C-O 3.57Å; C528-L554 WeakPolarHBondContact CA-O 3.47Å; C528-L554 HydrophobicContact CB-CB 4.46Å
529I97.5Very high95.3Very high0 Ų058.3 Ų58.30%032%0.315CS..EExtended strand (participates in β ladder)trans-126.9122.7169.8-54.5174.1000107.8T533 A538 F541 R542 L553 L554 I555 T556 Y559I529-T533 HydrophobicContact CG2-CG2 4.35Å; I529-A538 HydrophobicContact CD1-CB 4.4Å; I529-A538 HydrophobicContact CG2-CB 3.76Å; I529-F541 HydrophobicContact CD1-CB 4.01Å; I529-F541 HydrophobicContact CG1-CB 4.11Å; I529-F541 HydrophobicContact CG1-CD2 4.06Å; I529-R542 HydrophobicContact CD1-CG 3.8Å; I529-L553 HydrophobicContact CD1-CD1 3.84Å; I529-L553 HydrophobicContact CD1-CD2 4.47Å; I529-L553 HydrophobicContact CG1-CD1 4Å; I529-L554 PolarHBondContact N-O 2.91Å; I529-I555 HydrophobicContact CB-CG2 4.3Å; I529-I555 VanDerWaalsContact O-CA 3.29Å; I529-I555 WeakPolarHBondContact O-CA 3.28Å; I529-T556 PolarHBondContact O-N 2.81Å; I529-T556 VanDerWaalsContact O-N 3.13Å; I529-Y559 HydrophobicContact CG2-CD1 3.72Å; I529-Y559 HydrophobicContact CG2-CD2 3.49Å; I529-Y559 VanDerWaalsContact CG2-CD2 3.49Å; I529-Y559 HydrophobicContact CG2-CE1 3.61Å; I529-Y559 HydrophobicContact CG2-CE2 3.35Å; I529-Y559 HydrophobicContact CG2-CG 3.67Å; I529-Y559 VanDerWaalsContact CG2-CZ 3.42Å
530N96.5Very high95.4Very high26 Ų2666.1 Ų66.114%0.13935%0.345CS..  trans-128.2179175.860.849.1000110F509 Y532 T533 T556 Y559F509-N530 HydrophobicContact CD2-CB 4Å; F509-N530 HydrophobicContact CE2-CB 3.97Å; N530-Y532 PolarHBondContact O-N 2.72Å; N530-Y532 WeakPolarHBondContact OD1-CA 3.28Å; N530-Y532 WeakPolarHBondContact OD1-CB 3.46Å; N530-Y532 PolarHBondContact OD1-N 3.28Å; N530-T533 PolarHBondContact N-OG1 3.24Å; N530-T533 WeakPolarHBondContact O-CB 3.41Å; N530-T533 PolarHBondContact O-N 3.1Å; N530-T533 VanDerWaalsContact O-N 3.16Å; N530-T533 PolarHBondContact O-OG1 3.35Å; N530-T533 PolarHBondContact OD1-N 2.85Å; N530-T533 PolarHBondContact OD1-OG1 3.31Å; N530-T556 HydrophobicContact CB-CG2 3.62Å; N530-Y559 WeakPolarHBondContact O-CD2 3.42Å
531E92.9Very high95.4Very high34 Ų3463.6 Ų63.616%0.15933%0.33CS..THydrogen-bonded Turntrans-64.1-17.7-177.859.9-95.3-137.500114T556 R558E531-T556 PolarHBondContact OE2-OG1 2.91Å; E531-R558 HydrophobicContact CB-CB 4.05Å; E531-R558 HydrophobicContact CG-CB 4.29Å; E531-R558 WeakPolarHBondContact OE1-CD 3.38Å; E531-R558 IonicContact OE1-CZ 3.95Å; E531-R558 IonicContact OE1-NE 3.98Å; E531-R558 IonicContact OE1-NH1 3.64Å; E531-R558 PolarHBondContact OE1-NH1 2.71Å
532Y94.7Very high95.3Very high160 Ų16061 Ų6163%0.62730%0.303SS*.THydrogen-bonded Turntrans-95.5-11.7178.2-53.9-73.5000112.8F509 N530 E534F509-Y532 HydrophobicContact CD2-CD2 4.27Å; F509-Y532 HydrophobicContact CD2-CE2 4.17Å; F509-Y532 HydrophobicContact CE1-CE2 4.42Å; F509-Y532 AromaticContact CE2-CD2 3.77Å; F509-Y532 HydrophobicContact CE2-CD2 3.77Å; F509-Y532 AromaticContact CE2-CE2 3.97Å; F509-Y532 HydrophobicContact CE2-CE2 3.97Å; F509-Y532 HydrophobicContact CG-CE2 4.49Å; F509-Y532 HydrophobicContact CZ-CD2 4.08Å; F509-Y532 HydrophobicContact CZ-CE2 4.11Å; N530-Y532 PolarHBondContact O-N 2.72Å; N530-Y532 WeakPolarHBondContact OD1-CA 3.28Å; N530-Y532 WeakPolarHBondContact OD1-CB 3.46Å; N530-Y532 PolarHBondContact OD1-N 3.28Å; Y532-E534 PolarHBondContact O-N 3.21Å
533T95.6Very high95.4Very high15 Ų1560.7 Ų60.79%0.09231%0.306CS..SBendtrans-64.9131.1176.7-53.80000110.4I529 N530 E537 A538I529-T533 HydrophobicContact CG2-CG2 4.35Å; N530-T533 PolarHBondContact N-OG1 3.24Å; N530-T533 WeakPolarHBondContact O-CB 3.41Å; N530-T533 PolarHBondContact O-N 3.1Å; N530-T533 VanDerWaalsContact O-N 3.16Å; N530-T533 PolarHBondContact O-OG1 3.35Å; N530-T533 PolarHBondContact OD1-N 2.85Å; N530-T533 PolarHBondContact OD1-OG1 3.31Å; T533-E537 HydrophobicContact CG2-CB 4.16Å; T533-E537 HydrophobicContact CG2-CG 4.13Å; T533-E537 WeakPolarHBondContact CG2-OE2 3.28Å; T533-A538 HydrophobicContact CG2-CB 3.97Å
534E96.2Very high95.5Very high136 Ų13657.2 Ų57.264%0.63628%0.279SS*.  trans-60.7145.8176.6-65.6-169.8172.300111.6Y532 S536 E537 A538Y532-E534 PolarHBondContact O-N 3.21Å; E534-S536 PolarHBondContact O-N 3.2Å; E534-E537 HydrophobicContact CB-CB 4.43Å; E534-E537 PolarHBondContact O-N 2.81Å; E534-A538 WeakPolarHBondContact O-CB 3.49Å; E534-A538 PolarHBondContact O-N 2.98Å
535D93.7Very high95.5Very high77 Ų7756 Ų5641%0.41227%0.272SS..Hα-helixtrans-61.1-33.1-176.3-82.75.1000112.6E539 R563D535-E539 WeakPolarHBondContact O-CB 3.13Å; D535-E539 PolarHBondContact O-N 2.93Å; D535-R563 IonicContact OD1-CZ 3.18Å; D535-R563 IonicContact OD1-NE 2.63Å; D535-R563 PolarHBondContact OD1-NE 3.01Å; D535-R563 IonicContact OD1-NH2 3.89Å; D535-R563 PolarHBondContact OD1-NH2 3.45Å; D535-R563 IonicContact OD2-NE 3.47Å; D535-R563 IonicContact OD2-NH2 3.46Å
536S95.9Very high95.5Very high79 Ų7952.1 Ų52.155%0.55226%0.255SS*.Hα-helixtrans-66.6-47.4176.752.30000111.9E534 E539 R540E534-S536 PolarHBondContact O-N 3.2Å; S536-E539 PolarHBondContact O-N 3.11Å; S536-R540 PolarHBondContact O-N 2.89Å
537E96.9Very high95.3Very high83 Ų8355.5 Ų55.539%0.38827%0.274SS..Hα-helixtrans-66.9-44.7177.2-177.3174.6-125.200111.1T533 E534 E539 R540 F541T533-E537 HydrophobicContact CG2-CB 4.16Å; T533-E537 HydrophobicContact CG2-CG 4.13Å; T533-E537 WeakPolarHBondContact CG2-OE2 3.28Å; E534-E537 HydrophobicContact CB-CB 4.43Å; E534-E537 PolarHBondContact O-N 2.81Å; E537-E539 VanDerWaalsContact C-N 3.3Å; E537-E539 PolarHBondContact O-N 3.05Å; E537-R540 WeakPolarHBondContact O-CA 3.44Å; E537-R540 WeakPolarHBondContact O-CB 3.49Å; E537-R540 PolarHBondContact O-N 3.06Å; E537-R540 VanDerWaalsContact O-N 3.08Å; E537-F541 HydrophobicContact CG-CD2 4.03Å; E537-F541 HydrophobicContact CG-CE1 4.05Å; E537-F541 HydrophobicContact CG-CE2 3.47Å; E537-F541 VanDerWaalsContact CG-CE2 3.47Å; E537-F541 HydrophobicContact CG-CZ 3.47Å; E537-F541 VanDerWaalsContact CG-CZ 3.47Å; E537-F541 WeakPolarHBondContact O-CG 3.23Å; E537-F541 PolarHBondContact O-N 3Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.37Å
538A96Very high95Very high0 Ų056.6 Ų56.60%029%0.289CS..Hα-helixtrans-61.2-36.617600000112.4I529 T533 E534 R542 Y559I529-A538 HydrophobicContact CD1-CB 4.4Å; I529-A538 HydrophobicContact CG2-CB 3.76Å; T533-A538 HydrophobicContact CG2-CB 3.97Å; E534-A538 WeakPolarHBondContact O-CB 3.49Å; E534-A538 PolarHBondContact O-N 2.98Å; A538-R542 WeakPolarHBondContact O-CB 3.42Å; A538-R542 WeakPolarHBondContact O-CG 3.22Å; A538-R542 PolarHBondContact O-N 3.05Å; A538-R542 VanDerWaalsContact O-N 3.08Å; A538-R542 PolarHBondContact O-NE 3.31Å; A538-Y559 HydrophobicContact CB-CE2 3.99Å
539E95.5Very high94.8Very high79 Ų7964.2 Ų64.237%0.36932%0.315SS..Hα-helixtrans-65.7-43.3171.8-17271.4-115.700111.6D535 S536 E537 R542 T543D535-E539 WeakPolarHBondContact O-CB 3.13Å; D535-E539 PolarHBondContact O-N 2.93Å; S536-E539 PolarHBondContact O-N 3.11Å; E537-E539 VanDerWaalsContact C-N 3.3Å; E537-E539 PolarHBondContact O-N 3.05Å; E539-R542 VanDerWaalsContact CD-NH1 3.32Å; E539-R542 PolarHBondContact O-N 3.29Å; E539-R542 IonicContact OE1-CZ 2.7Å; E539-R542 IonicContact OE1-NH1 3.57Å; E539-R542 PolarHBondContact OE1-NH1 3.19Å; E539-R542 IonicContact OE1-NH2 3.74Å; E539-R542 PolarHBondContact OE1-NH2 3.44Å; E539-R542 IonicContact OE2-CZ 2.81Å; E539-R542 IonicContact OE2-NH1 3.55Å; E539-R542 PolarHBondContact OE2-NH1 2.86Å; E539-R542 IonicContact OE2-NH2 3.07Å; E539-R542 PolarHBondContact OE2-NH2 2.78Å; E539-T543 WeakPolarHBondContact O-CB 3.41Å; E539-T543 PolarHBondContact O-N 3.34Å; E539-T543 PolarHBondContact O-OG1 2.92Å
540R96.8Very high94.6Very high165 Ų16564.8 Ų64.862%0.62332%0.318SS*.Hα-helixtrans-58.5-50176.2-179.8-175.4174.8-171.5-1.8111.2S536 E537 R542 T543 L544S536-R540 PolarHBondContact O-N 2.89Å; E537-R540 WeakPolarHBondContact O-CA 3.44Å; E537-R540 WeakPolarHBondContact O-CB 3.49Å; E537-R540 PolarHBondContact O-N 3.06Å; E537-R540 VanDerWaalsContact O-N 3.08Å; R540-R542 PolarHBondContact O-N 3.4Å; R540-T543 WeakPolarHBondContact O-CB 3.42Å; R540-T543 PolarHBondContact O-N 3.26Å; R540-T543 VanDerWaalsContact O-N 3.16Å; R540-L544 HydrophobicContact CG-CD1 4.12Å; R540-L544 HydrophobicContact CG-CG 4.47Å; R540-L544 WeakPolarHBondContact O-CG 3.29Å; R540-L544 PolarHBondContact O-N 3.17Å
541F96.8Very high94.5Very high31 Ų3166.4 Ų66.414%0.13632%0.322CS..Hα-helixtrans-63.9-39.9179.6-65.8-16.8000112.5C527 C528 I529 E537 T543 L544 F545C527-F541 HydrophobicContact CB-CB 3.99Å; C527-F541 HydrophobicContact CB-CD1 4.16Å; C527-F541 HydrophobicContact CB-CD2 3.96Å; C527-F541 HydrophobicContact CB-CE2 4.49Å; C527-F541 HydrophobicContact CB-CG 3.79Å; C527-F541 WeakPolarHBondContact SG-CD1 3.45Å; C528-F541 WeakPolarHBondContact O-CD2 3.37Å; I529-F541 HydrophobicContact CD1-CB 4.01Å; I529-F541 HydrophobicContact CG1-CB 4.11Å; I529-F541 HydrophobicContact CG1-CD2 4.06Å; E537-F541 HydrophobicContact CG-CD2 4.03Å; E537-F541 HydrophobicContact CG-CE1 4.05Å; E537-F541 HydrophobicContact CG-CE2 3.47Å; E537-F541 VanDerWaalsContact CG-CE2 3.47Å; E537-F541 HydrophobicContact CG-CZ 3.47Å; E537-F541 VanDerWaalsContact CG-CZ 3.47Å; E537-F541 WeakPolarHBondContact O-CG 3.23Å; E537-F541 PolarHBondContact O-N 3Å; E537-F541 WeakPolarHBondContact OE1-CZ 3.37Å; F541-T543 VanDerWaalsContact C-N 3.31Å; F541-T543 PolarHBondContact O-N 3.27Å; F541-L544 HydrophobicContact CD1-CD1 4.43Å; F541-L544 PolarHBondContact O-N 3.16Å; F541-F545 WeakPolarHBondContact O-CB 3.35Å; F541-F545 PolarHBondContact O-N 3.37Å
542R94.9Very high94.7Very high27 Ų2764.8 Ų64.810%0.10232%0.315CS..Hα-helixtrans-61.8-38.8172.6-78.1-173.1-70.4110.8-2.9112.6I529 A538 E539 R540 G546 Y559I529-R542 HydrophobicContact CD1-CG 3.8Å; A538-R542 WeakPolarHBondContact O-CB 3.42Å; A538-R542 WeakPolarHBondContact O-CG 3.22Å; A538-R542 PolarHBondContact O-N 3.05Å; A538-R542 VanDerWaalsContact O-N 3.08Å; A538-R542 PolarHBondContact O-NE 3.31Å; E539-R542 VanDerWaalsContact CD-NH1 3.32Å; E539-R542 PolarHBondContact O-N 3.29Å; E539-R542 IonicContact OE1-CZ 2.7Å; E539-R542 IonicContact OE1-NH1 3.57Å; E539-R542 PolarHBondContact OE1-NH1 3.19Å; E539-R542 IonicContact OE1-NH2 3.74Å; E539-R542 PolarHBondContact OE1-NH2 3.44Å; E539-R542 IonicContact OE2-CZ 2.81Å; E539-R542 IonicContact OE2-NH1 3.55Å; E539-R542 PolarHBondContact OE2-NH1 2.86Å; E539-R542 IonicContact OE2-NH2 3.07Å; E539-R542 PolarHBondContact OE2-NH2 2.78Å; R540-R542 PolarHBondContact O-N 3.4Å; R542-G546 PolarHBondContact O-N 3.17Å; R542-Y559 PolarHBondContact NE-OH 3.17Å
543T94.7Very high94.8Very high63 Ų6357.2 Ų57.239%0.38729%0.285SS..Hα-helixtrans-66.6-49.1177.6-55.10000110.5E539 R540 F541 F545 G546 D547E539-T543 WeakPolarHBondContact O-CB 3.41Å; E539-T543 PolarHBondContact O-N 3.34Å; E539-T543 PolarHBondContact O-OG1 2.92Å; R540-T543 WeakPolarHBondContact O-CB 3.42Å; R540-T543 PolarHBondContact O-N 3.26Å; R540-T543 VanDerWaalsContact O-N 3.16Å; F541-T543 VanDerWaalsContact C-N 3.31Å; F541-T543 PolarHBondContact O-N 3.27Å; T543-F545 VanDerWaalsContact C-N 3.31Å; T543-F545 PolarHBondContact O-N 3.45Å; T543-G546 PolarHBondContact O-N 3.42Å; T543-G546 VanDerWaalsContact O-N 3.17Å; T543-D547 WeakPolarHBondContact O-CB 2.98Å; T543-D547 VanDerWaalsContact O-CG 3.25Å; T543-D547 PolarHBondContact O-N 2.61Å
544L95.5Very high94.9Very high38 Ų3856.5 Ų56.520%0.19928%0.28CS..Hα-helixtrans-59.6-40.2177.8-67.7174.4000112.5R540 F541 G548 R549 I550R540-L544 HydrophobicContact CG-CD1 4.12Å; R540-L544 HydrophobicContact CG-CG 4.47Å; R540-L544 WeakPolarHBondContact O-CG 3.29Å; R540-L544 PolarHBondContact O-N 3.17Å; F541-L544 HydrophobicContact CD1-CD1 4.43Å; F541-L544 PolarHBondContact O-N 3.16Å; L544-G548 PolarHBondContact O-N 2.84Å; L544-R549 HydrophobicContact CD2-CB 4.41Å; L544-R549 WeakPolarHBondContact O-CB 3.18Å; L544-R549 PolarHBondContact O-N 3.24Å; L544-I550 HydrophobicContact CB-CD1 3.48Å; L544-I550 VanDerWaalsContact CB-CD1 3.48Å; L544-I550 HydrophobicContact CB-CG1 3.92Å; L544-I550 HydrophobicContact CD1-CD1 3.81Å; L544-I550 HydrophobicContact CG-CD1 4.28Å; L544-I550 PolarHBondContact O-N 2.94Å
545F95Very high95Very high1 Ų150 Ų500%0.00425%0.25CS..Hα-helixtrans-68.1-44.4174.3179.9-102.6000112.3R501 L503 F541 T543 D547 G548 L553 I567 P570R501-F545 HydrophobicContact CB-CE2 4.23Å; R501-F545 HydrophobicContact CB-CZ 4.13Å; L503-F545 HydrophobicContact CB-CZ 4.36Å; F541-F545 WeakPolarHBondContact O-CB 3.35Å; F541-F545 PolarHBondContact O-N 3.37Å; T543-F545 VanDerWaalsContact C-N 3.31Å; T543-F545 PolarHBondContact O-N 3.45Å; F545-D547 VanDerWaalsContact C-N 3.32Å; F545-D547 PolarHBondContact O-N 2.93Å; F545-G548 WeakPolarHBondContact O-CA 3.31Å; F545-G548 PolarHBondContact O-N 3.18Å; F545-L553 HydrophobicContact CB-CB 4.41Å; F545-L553 HydrophobicContact CB-CD2 4.1Å; F545-L553 HydrophobicContact CD1-CB 4.33Å; F545-L553 HydrophobicContact CD1-CD2 3.81Å; F545-L553 HydrophobicContact CD2-CB 3.52Å; F545-L553 HydrophobicContact CD2-CD2 4.42Å; F545-L553 HydrophobicContact CE1-CD2 4.33Å; F545-L553 HydrophobicContact CE2-CB 3.73Å; F545-L553 HydrophobicContact CG-CB 3.83Å; F545-L553 HydrophobicContact CG-CD2 3.85Å; F545-L553 HydrophobicContact CG-CG 4.42Å; F545-L553 HydrophobicContact CZ-CB 4.23Å; F545-I567 HydrophobicContact CD1-CG2 3.95Å; F545-I567 HydrophobicContact CE1-CG2 3.89Å; F545-P570 HydrophobicContact CE1-CB 4.05Å; F545-P570 HydrophobicContact CZ-CB 4.17Å
546G91.1Very high95.1Very high16 Ų1646.4 Ų46.417%0.16523%0.231CC..Hα-helixtrans-61.3-40.1178.500000112.9R542 T543 G548 R568R542-G546 PolarHBondContact O-N 3.17Å; T543-G546 PolarHBondContact O-N 3.42Å; T543-G546 VanDerWaalsContact O-N 3.17Å; G546-G548 PolarHBondContact O-N 3.09Å; G546-R568 WeakPolarHBondContact CA-O 3.5Å
547D91.8Very high95.2Very high99 Ų9942.8 Ų42.853%0.52921%0.205SC..THydrogen-bonded Turntrans-72.2-5.8174.9-66.7-9.2000112.8T543 F545 R549T543-D547 WeakPolarHBondContact O-CB 2.98Å; T543-D547 VanDerWaalsContact O-CG 3.25Å; T543-D547 PolarHBondContact O-N 2.61Å; F545-D547 VanDerWaalsContact C-N 3.32Å; F545-D547 PolarHBondContact O-N 2.93Å; D547-R549 VanDerWaalsContact C-N 3.26Å; D547-R549 HydrophobicContact CB-CG 4.12Å; D547-R549 PolarHBondContact O-N 3.44Å
548G90.2Very high95.2Very high41 Ų4141.7 Ų41.742%0.42320%0.198SC..THydrogen-bonded Turntrans73.412.4-178.200000114.5L544 F545 G546 I550L544-G548 PolarHBondContact O-N 2.84Å; F545-G548 WeakPolarHBondContact O-CA 3.31Å; F545-G548 PolarHBondContact O-N 3.18Å; G546-G548 PolarHBondContact O-N 3.09Å; G548-I550 VanDerWaalsContact C-N 3.29Å
549R93.2Very high95.2Very high179 Ų17942 Ų4268%0.67520%0.199SC*.SBendtrans-71.6-26.2176.4-61.3-172.4-173.5-167.12.1112.7L544 D547L544-R549 HydrophobicContact CD2-CB 4.41Å; L544-R549 WeakPolarHBondContact O-CB 3.18Å; L544-R549 PolarHBondContact O-N 3.24Å; D547-R549 VanDerWaalsContact C-N 3.26Å; D547-R549 HydrophobicContact CB-CG 4.12Å; D547-R549 PolarHBondContact O-N 3.44Å
550I93.2Very high95.2Very high12 Ų1238.2 Ų38.26%0.06218%0.181CC..  trans-116.6132.1176.8-62.9175.6000108.6C527 L544 G548 I552C527-I550 HydrophobicContact CB-CD1 4.06Å; C527-I550 WeakPolarHBondContact SG-CD1 3.33Å; L544-I550 HydrophobicContact CB-CD1 3.48Å; L544-I550 VanDerWaalsContact CB-CD1 3.48Å; L544-I550 HydrophobicContact CB-CG1 3.92Å; L544-I550 HydrophobicContact CD1-CD1 3.81Å; L544-I550 HydrophobicContact CG-CD1 4.28Å; L544-I550 PolarHBondContact O-N 2.94Å; G548-I550 VanDerWaalsContact C-N 3.29Å; I550-I552 VanDerWaalsContact CG2-O 3.24Å; I550-I552 WeakPolarHBondContact CG2-O 3.34Å
551R93.8Very high95.1Very high59 Ų5930.4 Ų30.422%0.22315%0.152CC..SBendtrans-78.8-40.1-178-175.9176.5168.8-135.6-8.3113.1L494 G497 D499 R501 V502L494-R551 PolarHBondContact O-NH1 3.42Å; L494-R551 PolarHBondContact O-NH2 2.79Å; G497-R551 VanDerWaalsContact CA-NH1 3.34Å; G497-R551 PolarHBondContact O-NH2 3.03Å; D499-R551 PolarHBondContact O-NE 3.16Å; D499-R551 PolarHBondContact O-NH2 3.24Å; R501-R551 CarbonylContact C-O 3.42Å; R501-R551 WeakPolarHBondContact CA-O 3.48Å; V502-R551 PolarHBondContact N-O 3.26Å
552I96.6Very high94.9Very high1 Ų131.3 Ų31.31%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-122130.3-172.2-52.1177.7000110.3L494 V502 I504 L524 F526 C527 I550 L554L494-I552 HydrophobicContact CD2-CD1 4.45Å; V502-I552 HydrophobicContact CB-CG1 4.28Å; V502-I552 CarbonylContact O-C 3.53Å; V502-I552 WeakPolarHBondContact O-CA 3.19Å; I504-I552 HydrophobicContact CD1-CG2 3.78Å; I504-I552 HydrophobicContact CG1-CG2 4.12Å; L524-I552 HydrophobicContact CB-CD1 4.45Å; F526-I552 CarbonylContact C-O 3.57Å; F526-I552 WeakPolarHBondContact CA-O 3.38Å; F526-I552 HydrophobicContact CB-CB 3.74Å; F526-I552 HydrophobicContact CB-CG2 4.08Å; F526-I552 WeakPolarHBondContact CB-O 3.34Å; C527-I552 PolarHBondContact N-O 3.26Å; I550-I552 VanDerWaalsContact CG2-O 3.24Å; I550-I552 WeakPolarHBondContact CG2-O 3.34Å; I552-L554 HydrophobicContact CG2-CD1 3.84Å
553L97.3Very high94.7Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-121.9122.7173.5-179.864.2000109.7V502 L503 I504 C527 I529 F545 I555 I567V502-L553 PolarHBondContact O-N 3.48Å; L503-L553 WeakPolarHBondContact CA-O 3.27Å; L503-L553 HydrophobicContact CD1-CB 4.17Å; L503-L553 HydrophobicContact CD1-CD2 3.99Å; L503-L553 HydrophobicContact CD1-CG 4.06Å; I504-L553 PolarHBondContact N-O 2.97Å; C527-L553 HydrophobicContact CB-CD1 4.1Å; C527-L553 WeakPolarHBondContact O-CA 3.44Å; I529-L553 HydrophobicContact CD1-CD1 3.84Å; I529-L553 HydrophobicContact CD1-CD2 4.47Å; I529-L553 HydrophobicContact CG1-CD1 4Å; F545-L553 HydrophobicContact CB-CB 4.41Å; F545-L553 HydrophobicContact CB-CD2 4.1Å; F545-L553 HydrophobicContact CD1-CB 4.33Å; F545-L553 HydrophobicContact CD1-CD2 3.81Å; F545-L553 HydrophobicContact CD2-CB 3.52Å; F545-L553 HydrophobicContact CD2-CD2 4.42Å; F545-L553 HydrophobicContact CE1-CD2 4.33Å; F545-L553 HydrophobicContact CE2-CB 3.73Å; F545-L553 HydrophobicContact CG-CB 3.83Å; F545-L553 HydrophobicContact CG-CD2 3.85Å; F545-L553 HydrophobicContact CG-CG 4.42Å; F545-L553 HydrophobicContact CZ-CB 4.23Å; L553-I555 HydrophobicContact CD2-CG2 4.25Å; L553-I555 HydrophobicContact CG-CG2 4.03Å; L553-I567 HydrophobicContact CD2-CG2 4Å
554L97.9Very high94.5Very high0 Ų031.7 Ų31.70%015%0.15CC..EExtended strand (participates in β ladder)trans-98.4132.5173.5-70.978.6000108.9I504 L512 L515 L519 F526 C527 C528 I529 I552I504-L554 HydrophobicContact CB-CG 4.2Å; I504-L554 HydrophobicContact CD1-CG 4.46Å; I504-L554 WeakPolarHBondContact O-CA 3.17Å; L512-L554 HydrophobicContact CD1-CB 3.96Å; L512-L554 HydrophobicContact CG-CB 4.46Å; L512-L554 HydrophobicContact CG-CD2 4.32Å; L515-L554 HydrophobicContact CB-CD2 3.92Å; L519-L554 HydrophobicContact CD1-CD1 3.57Å; L519-L554 HydrophobicContact CD1-CD2 3.9Å; L519-L554 HydrophobicContact CD1-CG 4.28Å; F526-L554 HydrophobicContact CB-CD1 3.99Å; F526-L554 HydrophobicContact CD2-CD1 3.72Å; F526-L554 HydrophobicContact CG-CD1 4.03Å; C527-L554 PolarHBondContact O-N 2.81Å; C528-L554 CarbonylContact C-O 3.57Å; C528-L554 WeakPolarHBondContact CA-O 3.47Å; C528-L554 HydrophobicContact CB-CB 4.46Å; I529-L554 PolarHBondContact N-O 2.91Å; I552-L554 HydrophobicContact CG2-CD1 3.84Å
555I97.4Very high94.3Very high0 Ų034.8 Ų34.80%016%0.159CC..EExtended strand (participates in β ladder)trans-131140.217663.4170.9000111.5L503 I504 Y505 V506 I529 L553 I567 L588L503-I555 HydrophobicContact CD1-CD1 3.86Å; L503-I555 HydrophobicContact CD1-CG1 3.94Å; L503-I555 HydrophobicContact CD1-CG2 4.01Å; L503-I555 HydrophobicContact CD2-CD1 4.27Å; L503-I555 HydrophobicContact CG-CD1 4.35Å; I504-I555 PolarHBondContact O-N 3.44Å; Y505-I555 HydrophobicContact CD2-CD1 3.7Å; Y505-I555 HydrophobicContact CD2-CG1 3.89Å; Y505-I555 HydrophobicContact CE2-CD1 4.38Å; V506-I555 PolarHBondContact N-O 2.98Å; I529-I555 HydrophobicContact CB-CG2 4.3Å; I529-I555 VanDerWaalsContact O-CA 3.29Å; I529-I555 WeakPolarHBondContact O-CA 3.28Å; L553-I555 HydrophobicContact CD2-CG2 4.25Å; L553-I555 HydrophobicContact CG-CG2 4.03Å; I555-I567 HydrophobicContact CD1-CD1 3.56Å; I555-I567 HydrophobicContact CG2-CD1 4.17Å; I555-L588 HydrophobicContact CD1-CD2 4.23Å
556T97.6Very high93.9Very high1 Ų141.2 Ų41.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-81.8151.6168.7660000112.2V506 F509 L512 I529 N530 E531 R558 Y559 Y560V506-T556 CarbonylContact O-C 3.51Å; V506-T556 VanDerWaalsContact O-CA 3.3Å; V506-T556 WeakPolarHBondContact O-CA 3.47Å; F509-T556 HydrophobicContact CD2-CG2 4.25Å; L512-T556 HydrophobicContact CB-CG2 4.22Å; L512-T556 HydrophobicContact CD1-CG2 3.56Å; L512-T556 HydrophobicContact CG-CG2 4.37Å; I529-T556 PolarHBondContact O-N 2.81Å; I529-T556 VanDerWaalsContact O-N 3.13Å; N530-T556 HydrophobicContact CB-CG2 3.62Å; E531-T556 PolarHBondContact OE2-OG1 2.91Å; T556-R558 VanDerWaalsContact C-N 3.3Å; T556-R558 PolarHBondContact O-N 3.28Å; T556-Y559 PolarHBondContact O-N 3.37Å; T556-Y559 WeakPolarHBondContact OG1-CB 3.5Å; T556-Y559 PolarHBondContact OG1-N 3.47Å; T556-Y559 VanDerWaalsContact OG1-N 3.09Å; T556-Y560 PolarHBondContact O-N 3.42Å
557E96.9Very high93.9Very high3 Ų340.6 Ų40.61%0.01418%0.18CC..Hα-helixtrans-57.1-44.6169.2171.6158.2-10700111.5M273 Y505 V506 Y559 Y560 F561 T580 F581M273-E557 HydrophobicContact CE-CG 4.21Å; M273-E557 HydrophobicContact SD-CG 4.06Å; Y505-E557 HydrophobicContact CE1-CB 3.96Å; Y505-E557 HydrophobicContact CE2-CB 4.49Å; Y505-E557 VanDerWaalsContact OH-CA 3.27Å; Y505-E557 WeakPolarHBondContact OH-CA 3.48Å; Y505-E557 WeakPolarHBondContact OH-CB 3.47Å; Y505-E557 WeakPolarHBondContact OH-CG 3.43Å; Y505-E557 PolarHBondContact OH-OE1 3.29Å; V506-E557 PolarHBondContact O-N 3.27Å; E557-Y559 PolarHBondContact O-N 2.91Å; E557-Y560 CarbonylContact O-C 3.6Å; E557-Y560 PolarHBondContact O-N 2.99Å; E557-Y560 VanDerWaalsContact O-N 3.11Å; E557-F561 WeakPolarHBondContact O-CB 3.46Å; E557-F561 PolarHBondContact O-N 2.75Å; E557-T580 WeakPolarHBondContact OE1-CB 3.43Å; E557-T580 PolarHBondContact OE1-N 3.1Å; E557-T580 WeakPolarHBondContact OE2-CB 3.32Å; E557-T580 PolarHBondContact OE2-N 3.15Å; E557-T580 PolarHBondContact OE2-OG1 2.79Å; E557-F581 HydrophobicContact CG-CD2 4.46Å
558R96.3Very high93.7Very high60 Ų6044.6 Ų44.623%0.22619%0.187CC..Hα-helixtrans-61.2-45.2-179.6-68.6-172.969.8-15312112.2M273 Q274 E531 T556 Y560 F561 F562M273-R558 VanDerWaalsContact O-CZ 3.29Å; M273-R558 PolarHBondContact O-NE 2.77Å; M273-R558 PolarHBondContact O-NH2 3.46Å; M273-R558 HydrophobicContact SD-CG 3.99Å; Q274-R558 PolarHBondContact O-NH2 3.49Å; E531-R558 HydrophobicContact CB-CB 4.05Å; E531-R558 HydrophobicContact CG-CB 4.29Å; E531-R558 WeakPolarHBondContact OE1-CD 3.38Å; E531-R558 IonicContact OE1-CZ 3.95Å; E531-R558 IonicContact OE1-NE 3.98Å; E531-R558 IonicContact OE1-NH1 3.64Å; E531-R558 PolarHBondContact OE1-NH1 2.71Å; T556-R558 VanDerWaalsContact C-N 3.3Å; T556-R558 PolarHBondContact O-N 3.28Å; R558-Y560 VanDerWaalsContact C-N 3.29Å; R558-Y560 PolarHBondContact O-N 3.45Å; R558-F561 PolarHBondContact O-N 3.16Å; R558-F562 HydrophobicContact CB-CD2 4.37Å; R558-F562 HydrophobicContact CB-CE2 4.3Å; R558-F562 WeakPolarHBondContact O-CD2 3.48Å; R558-F562 PolarHBondContact O-N 3.13Å
559Y96.4Very high93.5Very high6 Ų642.7 Ų42.72%0.02417%0.168CC..Hα-helixtrans-54.8-48.9172.7172-99.5000111.4I529 N530 A538 R542 T556 E557 F561 F562 R563I529-Y559 HydrophobicContact CG2-CD1 3.72Å; I529-Y559 HydrophobicContact CG2-CD2 3.49Å; I529-Y559 VanDerWaalsContact CG2-CD2 3.49Å; I529-Y559 HydrophobicContact CG2-CE1 3.61Å; I529-Y559 HydrophobicContact CG2-CE2 3.35Å; I529-Y559 HydrophobicContact CG2-CG 3.67Å; I529-Y559 VanDerWaalsContact CG2-CZ 3.42Å; N530-Y559 WeakPolarHBondContact O-CD2 3.42Å; A538-Y559 HydrophobicContact CB-CE2 3.99Å; R542-Y559 PolarHBondContact NE-OH 3.17Å; T556-Y559 PolarHBondContact O-N 3.37Å; T556-Y559 WeakPolarHBondContact OG1-CB 3.5Å; T556-Y559 PolarHBondContact OG1-N 3.47Å; T556-Y559 VanDerWaalsContact OG1-N 3.09Å; E557-Y559 PolarHBondContact O-N 2.91Å; Y559-F561 VanDerWaalsContact C-N 3.34Å; Y559-F561 PolarHBondContact O-N 3.49Å; Y559-F562 PolarHBondContact O-N 2.81Å; Y559-R563 HydrophobicContact CD2-CG 4.05Å; Y559-R563 HydrophobicContact CE2-CB 4.24Å; Y559-R563 HydrophobicContact CE2-CG 3.78Å; Y559-R563 WeakPolarHBondContact O-CB 3.44Å; Y559-R563 PolarHBondContact O-N 3.04Å
560Y95.6Very high93.3Very high0 Ų034.3 Ų34.30%014%0.137CC..Hα-helixtrans-67.8-34.8-177.5-170.7-116.3000112.6Y505 T556 E557 R558 R564 R565 F584 E587 L588Y505-Y560 HydrophobicContact CE2-CD1 4.16Å; Y505-Y560 HydrophobicContact CE2-CG 4.45Å; T556-Y560 PolarHBondContact O-N 3.42Å; E557-Y560 CarbonylContact O-C 3.6Å; E557-Y560 PolarHBondContact O-N 2.99Å; E557-Y560 VanDerWaalsContact O-N 3.11Å; R558-Y560 VanDerWaalsContact C-N 3.29Å; R558-Y560 PolarHBondContact O-N 3.45Å; Y560-R564 VanDerWaalsContact CD1-NH1 3.29Å; Y560-R564 WeakPolarHBondContact O-CA 3.36Å; Y560-R564 PolarHBondContact O-N 3.1Å; Y560-R565 WeakPolarHBondContact CE2-O 3.44Å; Y560-F584 HydrophobicContact CD1-CB 4.33Å; Y560-F584 AromaticContact CD1-CD2 3.49Å; Y560-F584 HydrophobicContact CD1-CD2 3.49Å; Y560-F584 VanDerWaalsContact CD1-CD2 3.49Å; Y560-F584 AromaticContact CD1-CE2 3.91Å; Y560-F584 HydrophobicContact CD1-CE2 3.91Å; Y560-F584 HydrophobicContact CD1-CG 4.05Å; Y560-F584 HydrophobicContact CE1-CB 3.99Å; Y560-F584 AromaticContact CE1-CD2 3.88Å; Y560-F584 HydrophobicContact CE1-CD2 3.88Å; Y560-F584 HydrophobicContact CE1-CE2 4.48Å; Y560-F584 AromaticContact CE1-CG 3.94Å; Y560-F584 HydrophobicContact CE1-CG 3.94Å; Y560-E587 WeakPolarHBondContact OH-CB 3.33Å; Y560-L588 HydrophobicContact CD1-CD1 4.49Å; Y560-L588 HydrophobicContact CD1-CD2 4.42Å; Y560-L588 HydrophobicContact CD1-CG 4.46Å; Y560-L588 HydrophobicContact CD2-CD2 3.98Å; Y560-L588 HydrophobicContact CE1-CD1 4.18Å; Y560-L588 HydrophobicContact CE1-CD2 3.9Å; Y560-L588 HydrophobicContact CE1-CG 3.76Å; Y560-L588 HydrophobicContact CE2-CD2 3.44Å; Y560-L588 VanDerWaalsContact CE2-CD2 3.44Å; Y560-L588 HydrophobicContact CE2-CG 4.2Å; Y560-L588 HydrophobicContact CG-CD2 4.45Å; Y560-L588 VanDerWaalsContact CZ-CD2 3.4Å
561F94.6Very high93.2Very high1 Ų135.3 Ų35.30%0.00414%0.141CC..Hα-helixtrans-61.2-54.1172.9177.8-95.7000111.2W200 F201 M270 M273 E557 R558 Y559 R563 F581 F584W200-F561 AromaticContact CD2-CE2 3.92Å; W200-F561 HydrophobicContact CD2-CE2 3.92Å; W200-F561 AromaticContact CD2-CZ 3.98Å; W200-F561 HydrophobicContact CD2-CZ 3.98Å; W200-F561 HydrophobicContact CE3-CD2 4.12Å; W200-F561 AromaticContact CE3-CE2 3.31Å; W200-F561 HydrophobicContact CE3-CE2 3.31Å; W200-F561 AromaticContact CE3-CZ 3.68Å; W200-F561 HydrophobicContact CE3-CZ 3.68Å; W200-F561 HydrophobicContact CG-CZ 4.5Å; W200-F561 HydrophobicContact CH2-CD2 4.38Å; W200-F561 AromaticContact CH2-CE2 3.72Å; W200-F561 HydrophobicContact CH2-CE2 3.72Å; W200-F561 HydrophobicContact CZ2-CE2 4.26Å; W200-F561 AromaticContact CZ3-CD2 3.75Å; W200-F561 HydrophobicContact CZ3-CD2 3.75Å; W200-F561 AromaticContact CZ3-CE2 3.21Å; W200-F561 HydrophobicContact CZ3-CE2 3.21Å; W200-F561 HydrophobicContact CZ3-CZ 4.07Å; F201-F561 HydrophobicContact CE1-CE1 4.38Å; F201-F561 HydrophobicContact CE2-CD1 4.43Å; F201-F561 HydrophobicContact CE2-CE1 4.19Å; F201-F561 HydrophobicContact CE2-CZ 4.49Å; F201-F561 WeakPolarHBondContact CE2-O 3.49Å; F201-F561 AromaticContact CZ-CD1 3.81Å; F201-F561 HydrophobicContact CZ-CD1 3.81Å; F201-F561 AromaticContact CZ-CE1 3.49Å; F201-F561 HydrophobicContact CZ-CE1 3.49Å; F201-F561 VanDerWaalsContact CZ-CE1 3.49Å; F201-F561 HydrophobicContact CZ-CZ 4.15Å; M270-F561 HydrophobicContact CG-CZ 4.25Å; M273-F561 HydrophobicContact CB-CD1 3.63Å; M273-F561 HydrophobicContact CB-CE1 3.54Å; M273-F561 HydrophobicContact CB-CE2 4.47Å; M273-F561 HydrophobicContact CB-CG 4.17Å; M273-F561 HydrophobicContact CB-CZ 4.01Å; M273-F561 HydrophobicContact CG-CB 4.37Å; M273-F561 HydrophobicContact CG-CD1 3.65Å; M273-F561 HydrophobicContact CG-CD2 3.69Å; M273-F561 HydrophobicContact CG-CE1 3.73Å; M273-F561 HydrophobicContact CG-CE2 3.78Å; M273-F561 HydrophobicContact CG-CG 3.64Å; M273-F561 HydrophobicContact CG-CZ 3.82Å; M273-F561 HydrophobicContact SD-CB 4.12Å; M273-F561 HydrophobicContact SD-CD1 4.4Å; M273-F561 HydrophobicContact SD-CD2 4.28Å; M273-F561 HydrophobicContact SD-CG 4.03Å; E557-F561 WeakPolarHBondContact O-CB 3.46Å; E557-F561 PolarHBondContact O-N 2.75Å; R558-F561 PolarHBondContact O-N 3.16Å; Y559-F561 VanDerWaalsContact C-N 3.34Å; Y559-F561 PolarHBondContact O-N 3.49Å; F561-R563 PolarHBondContact O-N 3.37Å; F561-F581 HydrophobicContact CD2-CD2 4.28Å; F561-F581 HydrophobicContact CD2-CE1 4.29Å; F561-F581 AromaticContact CD2-CE2 3.47Å; F561-F581 HydrophobicContact CD2-CE2 3.47Å; F561-F581 VanDerWaalsContact CD2-CE2 3.47Å; F561-F581 AromaticContact CD2-CZ 3.49Å; F561-F581 HydrophobicContact CD2-CZ 3.49Å; F561-F581 VanDerWaalsContact CD2-CZ 3.49Å; F561-F581 AromaticContact CE2-CE1 3.98Å; F561-F581 HydrophobicContact CE2-CE1 3.98Å; F561-F581 AromaticContact CE2-CE2 3.87Å; F561-F581 HydrophobicContact CE2-CE2 3.87Å; F561-F581 AromaticContact CE2-CZ 3.35Å; F561-F581 HydrophobicContact CE2-CZ 3.35Å; F561-F581 HydrophobicContact CG-CE2 4.39Å; F561-F581 HydrophobicContact CZ-CZ 4.42Å; F561-F584 HydrophobicContact CB-CE2 4.29Å; F561-F584 HydrophobicContact CB-CZ 4.48Å; F561-F584 HydrophobicContact CD2-CZ 4.02Å
562F93.2Very high93.1Very high50 Ų5032.5 Ų32.522%0.21913%0.131CC..Hα-helixtrans-74.1-24.5-174.7-71.9-65.4000114.9Y197 F201 M273 R558 Y559Y197-F562 PolarHBondContact OH-O 2.99Å; F201-F562 AromaticContact CE1-CD1 3.51Å; F201-F562 HydrophobicContact CE1-CD1 3.51Å; F201-F562 AromaticContact CE1-CE1 3.94Å; F201-F562 HydrophobicContact CE1-CE1 3.94Å; F201-F562 AromaticContact CZ-CD1 3.52Å; F201-F562 HydrophobicContact CZ-CD1 3.52Å; F201-F562 HydrophobicContact CZ-CE1 4.07Å; F201-F562 HydrophobicContact CZ-CG 4.37Å; M273-F562 HydrophobicContact CB-CE2 4.49Å; M273-F562 HydrophobicContact CB-CZ 4.21Å; M273-F562 WeakPolarHBondContact O-CZ 3.31Å; R558-F562 HydrophobicContact CB-CD2 4.37Å; R558-F562 HydrophobicContact CB-CE2 4.3Å; R558-F562 WeakPolarHBondContact O-CD2 3.48Å; R558-F562 PolarHBondContact O-N 3.13Å; Y559-F562 PolarHBondContact O-N 2.81Å
563R91.4Very high93Very high91 Ų9132.6 Ų32.634%0.34313%0.131SC..Hα-helixtrans-113.3-30.6-174.4-60.4-60.2-164.6-115.50.2113.7K193 D535 Y559 F561 R565K193-R563 PolarHBondContact NZ-O 3.41Å; D535-R563 IonicContact OD1-CZ 3.18Å; D535-R563 IonicContact OD1-NE 2.63Å; D535-R563 PolarHBondContact OD1-NE 3.01Å; D535-R563 IonicContact OD1-NH2 3.89Å; D535-R563 PolarHBondContact OD1-NH2 3.45Å; D535-R563 IonicContact OD2-NE 3.47Å; D535-R563 IonicContact OD2-NH2 3.46Å; Y559-R563 HydrophobicContact CD2-CG 4.05Å; Y559-R563 HydrophobicContact CE2-CB 4.24Å; Y559-R563 HydrophobicContact CE2-CG 3.78Å; Y559-R563 WeakPolarHBondContact O-CB 3.44Å; Y559-R563 PolarHBondContact O-N 3.04Å; F561-R563 PolarHBondContact O-N 3.37Å; R563-R565 HydrophobicContact CB-CG 3.93Å; R563-R565 PolarHBondContact O-N 3.3Å; R563-R565 VanDerWaalsContact O-N 3.09Å
564R90.5Very high92.9Very high7 Ų732.7 Ų32.73%0.02613%0.132CC..  trans46.140.1-179.3-15863.4164.3-170.3-9.3113.7K193 Y197 Y560 F584 E587K193-R564 HydrophobicContact CD-CB 4.46Å; K193-R564 VanDerWaalsContact NZ-C 3.35Å; K193-R564 PolarHBondContact NZ-O 2.96Å; Y197-R564 HydrophobicContact CD2-CB 3.44Å; Y197-R564 VanDerWaalsContact CD2-CB 3.44Å; Y197-R564 HydrophobicContact CD2-CG 3.97Å; Y197-R564 HydrophobicContact CE2-CB 3.5Å; Y197-R564 HydrophobicContact CE2-CG 4.5Å; Y197-R564 HydrophobicContact CG-CB 4.26Å; Y197-R564 HydrophobicContact CG-CG 4.47Å; Y560-R564 VanDerWaalsContact CD1-NH1 3.29Å; Y560-R564 WeakPolarHBondContact O-CA 3.36Å; Y560-R564 PolarHBondContact O-N 3.1Å; R564-F584 VanDerWaalsContact CZ-CD1 3.41Å; R564-F584 VanDerWaalsContact NH1-CD2 3.3Å; R564-E587 VanDerWaalsContact CZ-CD 3.45Å; R564-E587 IonicContact CZ-OE1 3.67Å; R564-E587 IonicContact CZ-OE2 3.81Å; R564-E587 IonicContact NE-OE1 2.86Å; R564-E587 IonicContact NE-OE2 3Å; R564-E587 PolarHBondContact NE-OE2 3.3Å; R564-E587 IonicContact NH2-OE1 2.84Å; R564-E587 PolarHBondContact NH2-OE1 3.34Å; R564-E587 IonicContact NH2-OE2 2.86Å; R564-E587 PolarHBondContact NH2-OE2 3.49Å
565R89.5Confident92.8Very high104 Ų10432.8 Ų32.839%0.39213%0.132SC..  trans-80.5143-174.5-65.1-70.5-178.2149.85110Y560 R563Y560-R565 WeakPolarHBondContact CE2-O 3.44Å; R563-R565 HydrophobicContact CB-CG 3.93Å; R563-R565 PolarHBondContact O-N 3.3Å; R563-R565 VanDerWaalsContact O-N 3.09Å
566K88Confident92.8Very high135 Ų13532.8 Ų32.859%0.58713%0.132SC*.  trans-70.5134.7174.2-54-167176.1-167.50109.1F591K566-F591 HydrophobicContact CB-CB 4.45Å; K566-F591 HydrophobicContact CB-CD1 4.06Å; K566-F591 HydrophobicContact CB-CD2 4.04Å; K566-F591 HydrophobicContact CB-CE1 4.39Å; K566-F591 HydrophobicContact CB-CE2 4.34Å; K566-F591 HydrophobicContact CB-CG 3.91Å; K566-F591 HydrophobicContact CD-CD1 3.46Å; K566-F591 VanDerWaalsContact CD-CD1 3.46Å; K566-F591 HydrophobicContact CD-CE1 3.44Å; K566-F591 VanDerWaalsContact CD-CE1 3.44Å; K566-F591 HydrophobicContact CD-CG 4.2Å; K566-F591 HydrophobicContact CD-CZ 4.13Å; K566-F591 HydrophobicContact CG-CD1 3.63Å; K566-F591 HydrophobicContact CG-CD2 4.09Å; K566-F591 HydrophobicContact CG-CE1 3.52Å; K566-F591 HydrophobicContact CG-CE2 3.95Å; K566-F591 HydrophobicContact CG-CG 3.95Å; K566-F591 HydrophobicContact CG-CZ 3.68Å
567I90.6Very high92.7Very high3 Ų332.7 Ų32.72%0.01513%0.132CC..  trans-108.8115.2176.8-58.1176.8000107.1L503 F545 L553 I555 P570 L588L503-I567 HydrophobicContact CD1-CD1 4.06Å; L503-I567 HydrophobicContact CD1-CG2 4.47Å; L503-I567 HydrophobicContact CD2-CD1 4.08Å; L503-I567 HydrophobicContact CD2-CG2 4.41Å; F545-I567 HydrophobicContact CD1-CG2 3.95Å; F545-I567 HydrophobicContact CE1-CG2 3.89Å; L553-I567 HydrophobicContact CD2-CG2 4Å; I555-I567 HydrophobicContact CD1-CD1 3.56Å; I555-I567 HydrophobicContact CG2-CD1 4.17Å; I567-P570 WeakPolarHBondContact O-CD 3.5Å; I567-L588 HydrophobicContact CD1-CD2 4.12Å
568R88.1Confident92.5Very high183 Ų18332.9 Ų32.969%0.69113%0.133SC*.  trans-88.7147.3-177-63178.4-178.5161.3-0.9110.2G546 P570G546-R568 WeakPolarHBondContact CA-O 3.5Å; R568-P570 WeakPolarHBondContact O-CD 3.31Å
569G85.3Confident92.3Very high2 Ų230 Ų302%0.02112%0.122CC..  trans83-2.717300000119.9R501 Q571R501-G569 WeakPolarHBondContact CB-O 3.2Å; R501-G569 VanDerWaalsContact CD-O 3.27Å; R501-G569 WeakPolarHBondContact CD-O 3.4Å; R501-G569 PolarHBondContact NE-O 3.35Å; R501-G569 VanDerWaalsContact NE-O 3.1Å; G569-Q571 PolarHBondContact O-N 3.14Å
570P90.1Very high92.1Very high2 Ų230.4 Ų30.41%0.01313%0.125CC..  trans-66.7128.4-179.528.3-33.7000110.9L503 F545 I567 R568 F573 Y600L503-P570 HydrophobicContact CB-CB 3.98Å; L503-P570 HydrophobicContact CD2-CB 4.36Å; F545-P570 HydrophobicContact CE1-CB 4.05Å; F545-P570 HydrophobicContact CZ-CB 4.17Å; I567-P570 WeakPolarHBondContact O-CD 3.5Å; R568-P570 WeakPolarHBondContact O-CD 3.31Å; P570-F573 HydrophobicContact CB-CE1 3.86Å; P570-F573 HydrophobicContact CB-CE2 4.31Å; P570-F573 HydrophobicContact CB-CZ 3.74Å; P570-F573 HydrophobicContact CG-CE1 3.77Å; P570-F573 HydrophobicContact CG-CE2 4.49Å; P570-F573 HydrophobicContact CG-CZ 3.57Å; P570-Y600 WeakPolarHBondContact O-CE1 3.4Å
571Q89.3Confident91.9Very high33 Ų3330.4 Ų30.415%0.15413%0.125CC..  trans-106.8-33174.3-70.7-178.8-22.200111.4P500 R501 G569 I598 Y600 N601P500-Q571 HydrophobicContact CG-CB 4.15Å; R501-Q571 PolarHBondContact O-N 2.95Å; R501-Q571 VanDerWaalsContact O-N 3.07Å; G569-Q571 PolarHBondContact O-N 3.14Å; Q571-I598 HydrophobicContact CG-CG2 4.08Å; Q571-Y600 WeakPolarHBondContact O-CD1 3.28Å; Q571-N601 PolarHBondContact O-N 2.91Å
572T92.4Very high91.5Very high1 Ų130.7 Ų30.71%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-116127.1175.4-54.40000110D499 P500 R501 V502 L503 I574 N601D499-T572 HydrophobicContact CB-CG2 4.07Å; P500-T572 PolarHBondContact O-OG1 3.27Å; R501-T572 PolarHBondContact O-N 2.98Å; V502-T572 CarbonylContact C-O 3.59Å; V502-T572 WeakPolarHBondContact CA-O 3.29Å; V502-T572 HydrophobicContact CG1-CG2 4.37Å; V502-T572 HydrophobicContact CG2-CG2 4.48Å; L503-T572 PolarHBondContact N-O 3.01Å; T572-I574 HydrophobicContact CG2-CG1 4.23Å; T572-N601 CarbonylContact C-O 3.56Å; T572-N601 WeakPolarHBondContact CA-O 3.3Å; T572-N601 HydrophobicContact CG2-CB 4.19Å
573F94.1Very high91.2Very high2 Ų229 Ų291%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-108.5128.8176.5-62-96.2000109.4L503 P570 F575 L588 Y589 R592 Y600 N601 M602 T603L503-F573 HydrophobicContact CD2-CD1 4.12Å; L503-F573 HydrophobicContact CD2-CE1 4.13Å; P570-F573 HydrophobicContact CB-CE1 3.86Å; P570-F573 HydrophobicContact CB-CE2 4.31Å; P570-F573 HydrophobicContact CB-CZ 3.74Å; P570-F573 HydrophobicContact CG-CE1 3.77Å; P570-F573 HydrophobicContact CG-CE2 4.49Å; P570-F573 HydrophobicContact CG-CZ 3.57Å; F573-F575 HydrophobicContact CB-CE2 4.05Å; F573-L588 HydrophobicContact CE1-CB 4.4Å; F573-Y589 HydrophobicContact CE2-CD2 4.19Å; F573-Y589 HydrophobicContact CZ-CD2 4.49Å; F573-R592 HydrophobicContact CE2-CG 3.99Å; F573-R592 HydrophobicContact CZ-CG 3.69Å; F573-Y600 HydrophobicContact CE2-CD1 4.21Å; F573-N601 PolarHBondContact N-O 3.17Å; F573-M602 HydrophobicContact CB-CB 4.26Å; F573-M602 HydrophobicContact CB-CE 4.37Å; F573-M602 HydrophobicContact CB-CG 4.1Å; F573-M602 HydrophobicContact CG-CE 4.44Å; F573-M602 CarbonylContact O-C 3.53Å; F573-M602 VanDerWaalsContact O-CA 3.3Å; F573-M602 WeakPolarHBondContact O-CA 3.37Å; F573-T603 PolarHBondContact O-N 3.03Å
574I95.9Very high91.2Very high2 Ų224.7 Ų24.71%0.0110%0.103CC..EExtended strand (participates in β ladder)trans-126.2111.5174.6-58.1-179.4000107.7I490 L494 V502 L503 I504 Y505 T572 T603I490-I574 HydrophobicContact CD1-CG2 4.02Å; I490-I574 HydrophobicContact CG2-CD1 3.82Å; I490-I574 HydrophobicContact CG2-CG2 4.3Å; L494-I574 HydrophobicContact CD2-CD1 3.96Å; V502-I574 HydrophobicContact CG1-CD1 3.53Å; V502-I574 HydrophobicContact CG1-CG1 3.97Å; L503-I574 PolarHBondContact O-N 3.46Å; I504-I574 CarbonylContact C-O 3.52Å; I504-I574 VanDerWaalsContact CA-O 3.29Å; I504-I574 WeakPolarHBondContact CA-O 3.2Å; I504-I574 HydrophobicContact CG1-CB 4.24Å; I504-I574 HydrophobicContact CG1-CD1 4.48Å; I504-I574 HydrophobicContact CG2-CG2 4.49Å; Y505-I574 PolarHBondContact N-O 3.33Å; T572-I574 HydrophobicContact CG2-CG1 4.23Å; I574-T603 CarbonylContact C-O 3.54Å; I574-T603 WeakPolarHBondContact CA-O 3.24Å
575F96.5Very high91.2Very high2 Ų224.4 Ų24.41%0.00910%0.102CC..EExtended strand (participates in β ladder)trans-90.6106170.4-65.9-87.7000107.6Y505 F573 G577 P579 V585 L588 M602 T603 I604 L605Y505-F575 AromaticContact CD1-CD1 3.71Å; Y505-F575 HydrophobicContact CD1-CD1 3.71Å; Y505-F575 HydrophobicContact CD1-CE1 4.13Å; Y505-F575 HydrophobicContact CD2-CE1 4.44Å; Y505-F575 AromaticContact CG-CD1 3.8Å; Y505-F575 HydrophobicContact CG-CD1 3.8Å; Y505-F575 AromaticContact CG-CE1 3.9Å; Y505-F575 HydrophobicContact CG-CE1 3.9Å; F573-F575 HydrophobicContact CB-CE2 4.05Å; F575-G577 PolarHBondContact O-N 2.81Å; F575-P579 HydrophobicContact CD1-CG 3.62Å; F575-P579 HydrophobicContact CE1-CG 3.74Å; F575-V585 HydrophobicContact CD1-CG2 4.4Å; F575-V585 HydrophobicContact CE1-CG2 3.86Å; F575-V585 HydrophobicContact CE2-CG1 3.99Å; F575-V585 HydrophobicContact CE2-CG2 4.4Å; F575-V585 HydrophobicContact CZ-CB 4.12Å; F575-V585 HydrophobicContact CZ-CG1 3.87Å; F575-V585 HydrophobicContact CZ-CG2 3.87Å; F575-L588 HydrophobicContact CE1-CD1 4.02Å; F575-L588 HydrophobicContact CZ-CD1 4.25Å; F575-M602 HydrophobicContact CD2-CG 3.96Å; F575-M602 HydrophobicContact CD2-SD 4.19Å; F575-M602 HydrophobicContact CE2-CE 3.88Å; F575-M602 HydrophobicContact CE2-CG 3.82Å; F575-M602 HydrophobicContact CE2-SD 3.69Å; F575-T603 PolarHBondContact N-O 3.21Å; F575-I604 HydrophobicContact CB-CB 4.42Å; F575-I604 HydrophobicContact CB-CG1 4.16Å; F575-I604 HydrophobicContact CB-CG2 4.27Å; F575-I604 HydrophobicContact CD2-CG1 3.96Å; F575-I604 HydrophobicContact CG-CG1 4.35Å; F575-L605 PolarHBondContact O-N 3.25Å
576Y97.3Very high90.9Very high0 Ų021.7 Ų21.70%09%0.093CC..SBendtrans-63.1-33.5179.4-179.6-101.8000111.8R482 L483 F486 Y505 V506 D511 L515 L605R482-Y576 VanDerWaalsContact CD-O 3.27Å; R482-Y576 WeakPolarHBondContact CD-O 3.39Å; R482-Y576 HydrophobicContact CG-CD1 4.26Å; R482-Y576 HydrophobicContact CG-CE1 3.67Å; R482-Y576 HydrophobicContact CG-CE2 4.02Å; L483-Y576 WeakPolarHBondContact CA-OH 3.33Å; L483-Y576 PolarHBondContact N-OH 2.95Å; F486-Y576 HydrophobicContact CB-CD2 4.33Å; F486-Y576 HydrophobicContact CB-CE2 3.76Å; F486-Y576 AromaticContact CD2-CD2 3.75Å; F486-Y576 HydrophobicContact CD2-CD2 3.75Å; F486-Y576 AromaticContact CD2-CE2 3.95Å; F486-Y576 HydrophobicContact CD2-CE2 3.95Å; F486-Y576 HydrophobicContact CE2-CD2 4.4Å; F486-Y576 HydrophobicContact CG-CD2 4.22Å; F486-Y576 AromaticContact CG-CE2 3.92Å; F486-Y576 HydrophobicContact CG-CE2 3.92Å; Y505-Y576 WeakPolarHBondContact O-CB 3.48Å; Y505-Y576 PolarHBondContact O-N 2.68Å; V506-Y576 HydrophobicContact CG1-CD1 3.89Å; V506-Y576 HydrophobicContact CG1-CG 4.4Å; D511-Y576 HydrophobicContact CB-CD1 4.08Å; D511-Y576 HydrophobicContact CB-CE1 3.54Å; D511-Y576 WeakPolarHBondContact OD2-CE1 3.09Å; L515-Y576 HydrophobicContact CD1-CD1 4.34Å; L515-Y576 HydrophobicContact CD1-CD2 3.69Å; L515-Y576 HydrophobicContact CD1-CE2 3.98Å; L515-Y576 HydrophobicContact CD1-CG 3.88Å; L515-Y576 HydrophobicContact CD2-CD2 4.05Å; L515-Y576 HydrophobicContact CD2-CE2 3.72Å; L515-Y576 HydrophobicContact CG-CD2 4.3Å; L515-Y576 HydrophobicContact CG-CE2 4.1Å; Y576-L605 HydrophobicContact CD2-CD2 4.18Å; Y576-L605 HydrophobicContact CE2-CD2 4.27Å; Y576-L605 WeakPolarHBondContact O-CB 3.47Å
577G94.7Very high90.8Very high0 Ų016.7 Ų16.70%07%0.072CC..SBendtrans-136.9159161.500000108.6P507 F575 L605P507-G577 WeakPolarHBondContact CG-O 3.29Å; F575-G577 PolarHBondContact O-N 2.81Å; G577-L605 WeakPolarHBondContact CA-O 3.4Å
578P92.1Very high90.8Very high6 Ų616.7 Ų16.74%0.0397%0.072CC..  trans-61.1138172.223.6-26.8000109.7I604 L605 E611 I614 V615 I618P578-I604 HydrophobicContact CB-CG2 4.39Å; P578-L605 WeakPolarHBondContact CD-O 3.34Å; P578-E611 HydrophobicContact CG-CB 3.78Å; P578-E611 HydrophobicContact CG-CG 4.17Å; P578-I614 HydrophobicContact CB-CB 4.29Å; P578-I614 HydrophobicContact CB-CG2 3.85Å; P578-V615 HydrophobicContact CB-CG2 4.27Å; P578-V615 HydrophobicContact CG-CG2 4.39Å; P578-I618 HydrophobicContact CB-CD1 4.41Å
579P93.2Very high90.5Very high0 Ų08 Ų80%04%0.039CC..  trans-58.9143.7176.6-24.534.8000111.9Y505 F575 F581 F584 V585Y505-P579 HydrophobicContact CD1-CG 4.05Å; Y505-P579 HydrophobicContact CE1-CB 3.79Å; Y505-P579 HydrophobicContact CE1-CG 3.65Å; F575-P579 HydrophobicContact CD1-CG 3.62Å; F575-P579 HydrophobicContact CE1-CG 3.74Å; P579-F581 PolarHBondContact O-N 2.84Å; P579-F584 HydrophobicContact CB-CB 4.32Å; P579-V585 HydrophobicContact CG-CG2 3.72Å
580T91.5Very high90.2Very high14 Ų1411.4 Ų11.49%0.0866%0.057CC..SBendtrans-57.3-32.8169.1-61.50000110.7L272 M273 V322 N324 E557 P582L272-T580 HydrophobicContact CD1-CG2 3.92Å; M273-T580 HydrophobicContact CE-CG2 4.27Å; V322-T580 HydrophobicContact CB-CG2 4.48Å; V322-T580 WeakPolarHBondContact CG1-O 3.4Å; V322-T580 HydrophobicContact CG2-CG2 3.86Å; N324-T580 HydrophobicContact CB-CG2 4.19Å; N324-T580 PolarHBondContact ND2-OG1 3.03Å; E557-T580 WeakPolarHBondContact OE1-CB 3.43Å; E557-T580 PolarHBondContact OE1-N 3.1Å; E557-T580 WeakPolarHBondContact OE2-CB 3.32Å; E557-T580 PolarHBondContact OE2-N 3.15Å; E557-T580 PolarHBondContact OE2-OG1 2.79Å; T580-P582 WeakPolarHBondContact O-CD 3.28Å
581F90.8Very high89Confident0 Ų013.4 Ų13.40%07%0.065CC..SBendtrans-105.999.2176.2-57-87.2000110.8W200 E269 M273 V322 E557 F561 P579 W583 F584W200-F581 AromaticContact CH2-CD1 3.85Å; W200-F581 HydrophobicContact CH2-CD1 3.85Å; W200-F581 AromaticContact CH2-CE1 3.5Å; W200-F581 HydrophobicContact CH2-CE1 3.5Å; W200-F581 VanDerWaalsContact CH2-CE1 3.5Å; W200-F581 HydrophobicContact CH2-CZ 4.24Å; W200-F581 HydrophobicContact CZ2-CD1 4.48Å; W200-F581 AromaticContact CZ2-CE1 3.87Å; W200-F581 HydrophobicContact CZ2-CE1 3.87Å; W200-F581 HydrophobicContact CZ3-CE1 4.36Å; E269-F581 HydrophobicContact CB-CE1 3.73Å; E269-F581 HydrophobicContact CB-CZ 4.11Å; E269-F581 HydrophobicContact CG-CE1 4Å; M273-F581 HydrophobicContact CE-CE2 3.63Å; M273-F581 HydrophobicContact CE-CZ 4.28Å; M273-F581 HydrophobicContact CG-CE2 3.78Å; M273-F581 HydrophobicContact CG-CZ 3.85Å; M273-F581 HydrophobicContact SD-CE2 3.72Å; M273-F581 HydrophobicContact SD-CZ 4.39Å; V322-F581 HydrophobicContact CG1-CD1 3.83Å; V322-F581 HydrophobicContact CG1-CE1 4.2Å; E557-F581 HydrophobicContact CG-CD2 4.46Å; F561-F581 HydrophobicContact CD2-CD2 4.28Å; F561-F581 HydrophobicContact CD2-CE1 4.29Å; F561-F581 AromaticContact CD2-CE2 3.47Å; F561-F581 HydrophobicContact CD2-CE2 3.47Å; F561-F581 VanDerWaalsContact CD2-CE2 3.47Å; F561-F581 AromaticContact CD2-CZ 3.49Å; F561-F581 HydrophobicContact CD2-CZ 3.49Å; F561-F581 VanDerWaalsContact CD2-CZ 3.49Å; F561-F581 AromaticContact CE2-CE1 3.98Å; F561-F581 HydrophobicContact CE2-CE1 3.98Å; F561-F581 AromaticContact CE2-CE2 3.87Å; F561-F581 HydrophobicContact CE2-CE2 3.87Å; F561-F581 AromaticContact CE2-CZ 3.35Å; F561-F581 HydrophobicContact CE2-CZ 3.35Å; F561-F581 HydrophobicContact CG-CE2 4.39Å; F561-F581 HydrophobicContact CZ-CZ 4.42Å; P579-F581 PolarHBondContact O-N 2.84Å; F581-W583 VanDerWaalsContact C-N 3.27Å; F581-W583 HydrophobicContact CB-CD2 4.39Å; F581-W583 HydrophobicContact CB-CZ2 4.25Å; F581-W583 HydrophobicContact CD1-CH2 4.03Å; F581-W583 AromaticContact CD1-CZ2 3.63Å; F581-W583 HydrophobicContact CD1-CZ2 3.63Å; F581-W583 HydrophobicContact CG-CZ2 4.41Å; F581-W583 PolarHBondContact O-N 3.39Å; F581-W583 VanDerWaalsContact O-N 3.11Å; F581-F584 HydrophobicContact CB-CD1 3.21Å; F581-F584 HydrophobicContact CB-CD2 3.89Å; F581-F584 HydrophobicContact CB-CE1 3.21Å; F581-F584 HydrophobicContact CB-CE2 3.9Å; F581-F584 HydrophobicContact CB-CG 3.62Å; F581-F584 HydrophobicContact CB-CZ 3.59Å; F581-F584 HydrophobicContact CD1-CE1 4.12Å; F581-F584 HydrophobicContact CD1-CZ 4.2Å; F581-F584 HydrophobicContact CD2-CD2 4.12Å; F581-F584 AromaticContact CD2-CE1 3.96Å; F581-F584 HydrophobicContact CD2-CE1 3.96Å; F581-F584 AromaticContact CD2-CE2 3.47Å; F581-F584 HydrophobicContact CD2-CE2 3.47Å; F581-F584 VanDerWaalsContact CD2-CE2 3.47Å; F581-F584 AromaticContact CD2-CZ 3.39Å; F581-F584 HydrophobicContact CD2-CZ 3.39Å; F581-F584 HydrophobicContact CE2-CE2 4.23Å; F581-F584 HydrophobicContact CE2-CZ 4.06Å; F581-F584 HydrophobicContact CG-CD1 4.06Å; F581-F584 HydrophobicContact CG-CD2 4.39Å; F581-F584 AromaticContact CG-CE1 3.52Å; F581-F584 HydrophobicContact CG-CE1 3.52Å; F581-F584 AromaticContact CG-CE2 3.91Å; F581-F584 HydrophobicContact CG-CE2 3.91Å; F581-F584 AromaticContact CG-CZ 3.47Å; F581-F584 HydrophobicContact CG-CZ 3.47Å; F581-F584 VanDerWaalsContact CG-CZ 3.47Å; F581-F584 WeakPolarHBondContact O-CB 3.24Å; F581-F584 WeakPolarHBondContact O-CG 3.29Å; F581-F584 PolarHBondContact O-N 3.24Å
582P87.7Confident87.9Confident7 Ų713.9 Ų13.95%0.0457%0.066CC..THydrogen-bonded Turntrans-55.2-36.5-171.8-31.939.5000114.8V361 T580 F584 V585 I614 M617 I618V361-P582 HydrophobicContact CG1-CB 3.56Å; T580-P582 WeakPolarHBondContact O-CD 3.28Å; P582-F584 PolarHBondContact O-N 2.78Å; P582-V585 PolarHBondContact O-N 3.31Å; P582-I614 HydrophobicContact CG-CG2 4.18Å; P582-M617 HydrophobicContact CB-CE 4.33Å; P582-M617 HydrophobicContact CB-CG 4.45Å; P582-M617 HydrophobicContact CB-SD 4.11Å; P582-M617 HydrophobicContact CG-CE 4.11Å; P582-M617 HydrophobicContact CG-CG 4.49Å; P582-M617 HydrophobicContact CG-SD 3.62Å; P582-I618 HydrophobicContact CB-CD1 4.48Å; P582-I618 HydrophobicContact CB-CG1 3.81Å
583W86.8Confident86.1Confident16 Ų1618 Ų186%0.0618%0.084CC..Hα-helixtrans-69.1-11.9179.954.3100.1000114D196 W200 A321 V322 W360 V361 F581 V585 K586 E587D196-W583 PolarHBondContact OD2-NE1 2.89Å; W200-W583 HydrophobicContact CH2-CZ2 4.26Å; A321-W583 HydrophobicContact CB-CH2 4.2Å; V322-W583 HydrophobicContact CG1-CH2 3.95Å; V322-W583 HydrophobicContact CG1-CZ3 4.35Å; W360-W583 HydrophobicContact CE3-CB 3.85Å; W360-W583 HydrophobicContact CE3-CG 4.25Å; W360-W583 HydrophobicContact CH2-CD2 4.13Å; W360-W583 AromaticContact CH2-CE3 3.67Å; W360-W583 HydrophobicContact CH2-CE3 3.67Å; W360-W583 AromaticContact CH2-CZ3 3.96Å; W360-W583 HydrophobicContact CH2-CZ3 3.96Å; W360-W583 HydrophobicContact CZ3-CB 3.63Å; W360-W583 AromaticContact CZ3-CD2 3.51Å; W360-W583 HydrophobicContact CZ3-CD2 3.51Å; W360-W583 AromaticContact CZ3-CE3 3.46Å; W360-W583 HydrophobicContact CZ3-CE3 3.46Å; W360-W583 VanDerWaalsContact CZ3-CE3 3.46Å; W360-W583 AromaticContact CZ3-CG 3.61Å; W360-W583 HydrophobicContact CZ3-CG 3.61Å; W360-W583 HydrophobicContact CZ3-CZ3 4.19Å; V361-W583 HydrophobicContact CG2-CB 4.5Å; F581-W583 VanDerWaalsContact C-N 3.27Å; F581-W583 HydrophobicContact CB-CD2 4.39Å; F581-W583 HydrophobicContact CB-CZ2 4.25Å; F581-W583 HydrophobicContact CD1-CH2 4.03Å; F581-W583 AromaticContact CD1-CZ2 3.63Å; F581-W583 HydrophobicContact CD1-CZ2 3.63Å; F581-W583 HydrophobicContact CG-CZ2 4.41Å; F581-W583 PolarHBondContact O-N 3.39Å; F581-W583 VanDerWaalsContact O-N 3.11Å; W583-V585 PolarHBondContact O-N 2.86Å; W583-K586 PolarHBondContact O-N 3.4Å; W583-E587 PolarHBondContact O-N 2.83Å
584F91.1Very high84.2Confident0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-64.5-29.8175-73.422.2000111Y505 Y560 F561 R564 P579 F581 P582 E587 L588Y505-F584 WeakPolarHBondContact OH-CD2 3.48Å; Y560-F584 HydrophobicContact CD1-CB 4.33Å; Y560-F584 AromaticContact CD1-CD2 3.49Å; Y560-F584 HydrophobicContact CD1-CD2 3.49Å; Y560-F584 VanDerWaalsContact CD1-CD2 3.49Å; Y560-F584 AromaticContact CD1-CE2 3.91Å; Y560-F584 HydrophobicContact CD1-CE2 3.91Å; Y560-F584 HydrophobicContact CD1-CG 4.05Å; Y560-F584 HydrophobicContact CE1-CB 3.99Å; Y560-F584 AromaticContact CE1-CD2 3.88Å; Y560-F584 HydrophobicContact CE1-CD2 3.88Å; Y560-F584 HydrophobicContact CE1-CE2 4.48Å; Y560-F584 AromaticContact CE1-CG 3.94Å; Y560-F584 HydrophobicContact CE1-CG 3.94Å; F561-F584 HydrophobicContact CB-CE2 4.29Å; F561-F584 HydrophobicContact CB-CZ 4.48Å; F561-F584 HydrophobicContact CD2-CZ 4.02Å; R564-F584 VanDerWaalsContact CZ-CD1 3.41Å; R564-F584 VanDerWaalsContact NH1-CD2 3.3Å; P579-F584 HydrophobicContact CB-CB 4.32Å; F581-F584 HydrophobicContact CB-CD1 3.21Å; F581-F584 HydrophobicContact CB-CD2 3.89Å; F581-F584 HydrophobicContact CB-CE1 3.21Å; F581-F584 HydrophobicContact CB-CE2 3.9Å; F581-F584 HydrophobicContact CB-CG 3.62Å; F581-F584 HydrophobicContact CB-CZ 3.59Å; F581-F584 HydrophobicContact CD1-CE1 4.12Å; F581-F584 HydrophobicContact CD1-CZ 4.2Å; F581-F584 HydrophobicContact CD2-CD2 4.12Å; F581-F584 AromaticContact CD2-CE1 3.96Å; F581-F584 HydrophobicContact CD2-CE1 3.96Å; F581-F584 AromaticContact CD2-CE2 3.47Å; F581-F584 HydrophobicContact CD2-CE2 3.47Å; F581-F584 VanDerWaalsContact CD2-CE2 3.47Å; F581-F584 AromaticContact CD2-CZ 3.39Å; F581-F584 HydrophobicContact CD2-CZ 3.39Å; F581-F584 HydrophobicContact CE2-CE2 4.23Å; F581-F584 HydrophobicContact CE2-CZ 4.06Å; F581-F584 HydrophobicContact CG-CD1 4.06Å; F581-F584 HydrophobicContact CG-CD2 4.39Å; F581-F584 AromaticContact CG-CE1 3.52Å; F581-F584 HydrophobicContact CG-CE1 3.52Å; F581-F584 AromaticContact CG-CE2 3.91Å; F581-F584 HydrophobicContact CG-CE2 3.91Å; F581-F584 AromaticContact CG-CZ 3.47Å; F581-F584 HydrophobicContact CG-CZ 3.47Å; F581-F584 VanDerWaalsContact CG-CZ 3.47Å; F581-F584 WeakPolarHBondContact O-CB 3.24Å; F581-F584 WeakPolarHBondContact O-CG 3.29Å; F581-F584 PolarHBondContact O-N 3.24Å; P582-F584 PolarHBondContact O-N 2.78Å; F584-E587 PolarHBondContact O-N 2.91Å; F584-L588 WeakPolarHBondContact O-CB 3.35Å; F584-L588 VanDerWaalsContact O-CG 3.27Å; F584-L588 WeakPolarHBondContact O-CG 3.44Å; F584-L588 PolarHBondContact O-N 2.93Å
585V89.5Confident82.3Confident0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-60.1-49.6174-178.90000110.4I363 F575 P579 P582 W583 Y589 M602 I618I363-V585 HydrophobicContact CD1-CG1 3.83Å; I363-V585 HydrophobicContact CG1-CG1 3.88Å; F575-V585 HydrophobicContact CD1-CG2 4.4Å; F575-V585 HydrophobicContact CE1-CG2 3.86Å; F575-V585 HydrophobicContact CE2-CG1 3.99Å; F575-V585 HydrophobicContact CE2-CG2 4.4Å; F575-V585 HydrophobicContact CZ-CB 4.12Å; F575-V585 HydrophobicContact CZ-CG1 3.87Å; F575-V585 HydrophobicContact CZ-CG2 3.87Å; P579-V585 HydrophobicContact CG-CG2 3.72Å; P582-V585 PolarHBondContact O-N 3.31Å; W583-V585 PolarHBondContact O-N 2.86Å; V585-Y589 WeakPolarHBondContact O-CB 3.22Å; V585-Y589 PolarHBondContact O-N 2.92Å; V585-M602 HydrophobicContact CG1-CE 3.66Å; V585-M602 HydrophobicContact CG1-SD 3.63Å; V585-I618 HydrophobicContact CB-CG2 4.08Å; V585-I618 HydrophobicContact CG1-CG2 3.95Å; V585-I618 HydrophobicContact CG2-CD1 3.92Å; V585-I618 HydrophobicContact CG2-CG1 4.3Å; V585-I618 HydrophobicContact CG2-CG2 3.99Å
586K84.2Confident80.4Confident47 Ų4736 Ų3620%0.20419%0.186CC..Hα-helixtrans-62.1-44.8178-177.1179-177.4-74.60111.2W360 W583 Y589 D590W360-K586 WeakPolarHBondContact O-CD 3.41Å; W583-K586 PolarHBondContact O-N 3.4Å; K586-Y589 CarbonylContact O-C 3.51Å; K586-Y589 PolarHBondContact O-N 3.15Å; K586-D590 WeakPolarHBondContact CG-OD2 3.24Å; K586-D590 IonicContact NZ-OD2 2.64Å; K586-D590 PolarHBondContact NZ-OD2 2.91Å; K586-D590 WeakPolarHBondContact O-CB 3.48Å; K586-D590 VanDerWaalsContact O-CG 3.23Å; K586-D590 PolarHBondContact O-N 2.63Å
587E86.4Confident78.7Confident31 Ų3144.8 Ų44.815%0.14523%0.227CC..Hα-helixtrans-66.2-42.5-178.9-72.4-168.2-143.500113.7P194 Y560 R564 W583 F584 Y589 D590 F591P194-E587 WeakPolarHBondContact CG-OE2 3.3Å; Y560-E587 WeakPolarHBondContact OH-CB 3.33Å; R564-E587 VanDerWaalsContact CZ-CD 3.45Å; R564-E587 IonicContact CZ-OE1 3.67Å; R564-E587 IonicContact CZ-OE2 3.81Å; R564-E587 IonicContact NE-OE1 2.86Å; R564-E587 IonicContact NE-OE2 3Å; R564-E587 PolarHBondContact NE-OE2 3.3Å; R564-E587 IonicContact NH2-OE1 2.84Å; R564-E587 PolarHBondContact NH2-OE1 3.34Å; R564-E587 IonicContact NH2-OE2 2.86Å; R564-E587 PolarHBondContact NH2-OE2 3.49Å; W583-E587 PolarHBondContact O-N 2.83Å; F584-E587 PolarHBondContact O-N 2.91Å; E587-Y589 PolarHBondContact O-N 2.78Å; E587-D590 PolarHBondContact O-N 3.22Å; E587-F591 HydrophobicContact CB-CE2 4.44Å; E587-F591 WeakPolarHBondContact O-CD2 3.43Å; E587-F591 VanDerWaalsContact O-CE2 3.25Å; E587-F591 WeakPolarHBondContact O-CE2 3.32Å; E587-F591 WeakPolarHBondContact O-CG 3.48Å; E587-F591 PolarHBondContact O-N 3.41Å
588L88.9Confident77.4Confident3 Ų346.1 Ų46.12%0.01623%0.234CC..Hα-helixtrans-61.8-35.7174-72.7168.8000111.5L503 Y505 I555 Y560 I567 F573 F575 F584L503-L588 HydrophobicContact CD2-CD2 4.3Å; Y505-L588 HydrophobicContact CD2-CD1 3.58Å; Y505-L588 HydrophobicContact CE2-CD1 3.93Å; Y505-L588 HydrophobicContact CG-CD1 4.38Å; I555-L588 HydrophobicContact CD1-CD2 4.23Å; Y560-L588 HydrophobicContact CD1-CD1 4.49Å; Y560-L588 HydrophobicContact CD1-CD2 4.42Å; Y560-L588 HydrophobicContact CD1-CG 4.46Å; Y560-L588 HydrophobicContact CD2-CD2 3.98Å; Y560-L588 HydrophobicContact CE1-CD1 4.18Å; Y560-L588 HydrophobicContact CE1-CD2 3.9Å; Y560-L588 HydrophobicContact CE1-CG 3.76Å; Y560-L588 HydrophobicContact CE2-CD2 3.44Å; Y560-L588 VanDerWaalsContact CE2-CD2 3.44Å; Y560-L588 HydrophobicContact CE2-CG 4.2Å; Y560-L588 HydrophobicContact CG-CD2 4.45Å; Y560-L588 VanDerWaalsContact CZ-CD2 3.4Å; I567-L588 HydrophobicContact CD1-CD2 4.12Å; F573-L588 HydrophobicContact CE1-CB 4.4Å; F575-L588 HydrophobicContact CE1-CD1 4.02Å; F575-L588 HydrophobicContact CZ-CD1 4.25Å; F584-L588 WeakPolarHBondContact O-CB 3.35Å; F584-L588 VanDerWaalsContact O-CG 3.27Å; F584-L588 WeakPolarHBondContact O-CG 3.44Å; F584-L588 PolarHBondContact O-N 2.93Å
589Y83.2Confident76.7Confident0 Ų051.6 Ų51.60%026%0.259CS..Hα-helixtrans-76.1-35.4178.1-175.2-105.1000113.3I363 Y394 F396 F573 V585 K586 E587 F591 R592 M602I363-Y589 HydrophobicContact CG2-CD1 4.1Å; I363-Y589 HydrophobicContact CG2-CE1 3.86Å; Y394-Y589 HydrophobicContact CD1-CE1 4.16Å; Y394-Y589 HydrophobicContact CE1-CE1 4.34Å; F396-Y589 WeakPolarHBondContact CB-OH 3.47Å; F396-Y589 HydrophobicContact CD2-CD2 4.48Å; F396-Y589 AromaticContact CD2-CE2 3.44Å; F396-Y589 HydrophobicContact CD2-CE2 3.44Å; F396-Y589 VanDerWaalsContact CD2-CE2 3.44Å; F396-Y589 AromaticContact CD2-CZ 3.71Å; F396-Y589 WeakPolarHBondContact CD2-OH 3.24Å; F396-Y589 HydrophobicContact CE2-CD2 4.24Å; F396-Y589 AromaticContact CE2-CE2 3.61Å; F396-Y589 HydrophobicContact CE2-CE2 3.61Å; F396-Y589 HydrophobicContact CG-CE2 4.39Å; F573-Y589 HydrophobicContact CE2-CD2 4.19Å; F573-Y589 HydrophobicContact CZ-CD2 4.49Å; V585-Y589 WeakPolarHBondContact O-CB 3.22Å; V585-Y589 PolarHBondContact O-N 2.92Å; K586-Y589 CarbonylContact O-C 3.51Å; K586-Y589 PolarHBondContact O-N 3.15Å; E587-Y589 PolarHBondContact O-N 2.78Å; Y589-F591 PolarHBondContact O-N 2.94Å; Y589-R592 VanDerWaalsContact CD2-NE 3.27Å; Y589-R592 VanDerWaalsContact O-CD 3.29Å; Y589-R592 WeakPolarHBondContact O-CD 3.36Å; Y589-R592 WeakPolarHBondContact O-CG 3.24Å; Y589-R592 PolarHBondContact O-N 2.99Å; Y589-R592 PolarHBondContact O-NE 3.49Å; Y589-R592 VanDerWaalsContact OH-CZ 3.24Å; Y589-R592 PolarHBondContact OH-NH1 3.49Å; Y589-R592 PolarHBondContact OH-NH2 3.26Å; Y589-M602 HydrophobicContact CD2-CE 3.94Å; Y589-M602 HydrophobicContact CG-CE 4.42Å
590D77.8Confident76.2Confident73 Ų7352 Ų5239%0.3926%0.261SS..Hα-helixtrans-68.9-18.2179.5-75.4-11.3000111.9K586 E587 R592K586-D590 WeakPolarHBondContact CG-OD2 3.24Å; K586-D590 IonicContact NZ-OD2 2.64Å; K586-D590 PolarHBondContact NZ-OD2 2.91Å; K586-D590 WeakPolarHBondContact O-CB 3.48Å; K586-D590 VanDerWaalsContact O-CG 3.23Å; K586-D590 PolarHBondContact O-N 2.63Å; E587-D590 PolarHBondContact O-N 3.22Å; D590-R592 VanDerWaalsContact C-N 3.3Å; D590-R592 PolarHBondContact O-N 2.9Å
591F65.6Low76.1Confident44 Ų4452.7 Ų52.719%0.19326%0.264CS..THydrogen-bonded Turntrans-83.48.7175.9-60.3-41000115.6K566 E587 Y589K566-F591 HydrophobicContact CB-CB 4.45Å; K566-F591 HydrophobicContact CB-CD1 4.06Å; K566-F591 HydrophobicContact CB-CD2 4.04Å; K566-F591 HydrophobicContact CB-CE1 4.39Å; K566-F591 HydrophobicContact CB-CE2 4.34Å; K566-F591 HydrophobicContact CB-CG 3.91Å; K566-F591 HydrophobicContact CD-CD1 3.46Å; K566-F591 VanDerWaalsContact CD-CD1 3.46Å; K566-F591 HydrophobicContact CD-CE1 3.44Å; K566-F591 VanDerWaalsContact CD-CE1 3.44Å; K566-F591 HydrophobicContact CD-CG 4.2Å; K566-F591 HydrophobicContact CD-CZ 4.13Å; K566-F591 HydrophobicContact CG-CD1 3.63Å; K566-F591 HydrophobicContact CG-CD2 4.09Å; K566-F591 HydrophobicContact CG-CE1 3.52Å; K566-F591 HydrophobicContact CG-CE2 3.95Å; K566-F591 HydrophobicContact CG-CG 3.95Å; K566-F591 HydrophobicContact CG-CZ 3.68Å; E587-F591 HydrophobicContact CB-CE2 4.44Å; E587-F591 WeakPolarHBondContact O-CD2 3.43Å; E587-F591 VanDerWaalsContact O-CE2 3.25Å; E587-F591 WeakPolarHBondContact O-CE2 3.32Å; E587-F591 WeakPolarHBondContact O-CG 3.48Å; E587-F591 PolarHBondContact O-N 3.41Å; Y589-F591 PolarHBondContact O-N 2.94Å
592R66Low76.1Confident44 Ų4452.7 Ų52.717%0.16626%0.264CS..SBendtrans-65.5160.1177.4-70.5172.2-51.2141.86.8112.5F573 Y589 D590 S594 Y600F573-R592 HydrophobicContact CE2-CG 3.99Å; F573-R592 HydrophobicContact CZ-CG 3.69Å; Y589-R592 VanDerWaalsContact CD2-NE 3.27Å; Y589-R592 VanDerWaalsContact O-CD 3.29Å; Y589-R592 WeakPolarHBondContact O-CD 3.36Å; Y589-R592 WeakPolarHBondContact O-CG 3.24Å; Y589-R592 PolarHBondContact O-N 2.99Å; Y589-R592 PolarHBondContact O-NE 3.49Å; Y589-R592 VanDerWaalsContact OH-CZ 3.24Å; Y589-R592 PolarHBondContact OH-NH1 3.49Å; Y589-R592 PolarHBondContact OH-NH2 3.26Å; D590-R592 VanDerWaalsContact C-N 3.3Å; D590-R592 PolarHBondContact O-N 2.9Å; R592-S594 PolarHBondContact O-N 3.21Å; R592-Y600 HydrophobicContact CB-CE1 4.03Å; R592-Y600 VanDerWaalsContact CD-CD1 3.43Å; R592-Y600 VanDerWaalsContact CD-CE1 3.42Å; R592-Y600 HydrophobicContact CG-CD1 4.18Å; R592-Y600 HydrophobicContact CG-CE1 3.75Å
593H55.4Low76.4Confident86 Ų8652.4 Ų52.440%0.39826%0.262SS..  trans-68.2129.7166.9-83.2-84.6000109.8E595 Y600H593-E595 PolarHBondContact O-N 3.35Å; H593-Y600 PolarHBondContact O-OH 3.41Å
594S54.1Low76.7Confident117 Ų11751.7 Ų51.782%0.81826%0.259SS*.  trans-79.248.9178.460.70000112.2R592R592-S594 PolarHBondContact O-N 3.21Å
595E55.1Low76.8Confident124 Ų12451.7 Ų51.758%0.57926%0.259SS*.  trans-91.6118.2169.5-72.9179.6-173.400108.4H593 E597 I598H593-E595 PolarHBondContact O-N 3.35Å; E595-E597 PolarHBondContact O-N 2.93Å; E595-E597 VanDerWaalsContact O-N 3.08Å; E595-I598 HydrophobicContact CB-CD1 3.92Å; E595-I598 HydrophobicContact CB-CG1 4.2Å; E595-I598 PolarHBondContact O-N 3.32Å; E595-I598 WeakPolarHBondContact OE2-CD1 3.31Å
596N56.2Low77Confident145 Ų14551.8 Ų51.878%0.77526%0.26SS*.THydrogen-bonded Turntrans-65.6-11.5-170.3-69.7-25.5000114.3
597E61.5Low77.3Confident184 Ų18449.6 Ų49.686%0.8625%0.25SS*.THydrogen-bonded Turntrans-99.9-9-173.8-65.4-171.6164.500114.6E595E595-E597 PolarHBondContact O-N 2.93Å; E595-E597 VanDerWaalsContact O-N 3.08Å
598I69.1Low77.2Confident28 Ų2849.5 Ų49.514%0.14425%0.25CC..PPolyproline II helixtrans-83.5124.2-174.4-58.9176.3000110.7Q571 E595 Y600Q571-I598 HydrophobicContact CG-CG2 4.08Å; E595-I598 HydrophobicContact CB-CD1 3.92Å; E595-I598 HydrophobicContact CB-CG1 4.2Å; E595-I598 PolarHBondContact O-N 3.32Å; E595-I598 WeakPolarHBondContact OE2-CD1 3.31Å; I598-Y600 HydrophobicContact CB-CE2 3.94Å; I598-Y600 HydrophobicContact CG2-CD1 4.45Å; I598-Y600 HydrophobicContact CG2-CD2 4.35Å; I598-Y600 HydrophobicContact CG2-CE1 4.04Å; I598-Y600 HydrophobicContact CG2-CE2 3.99Å; I598-Y600 WeakPolarHBondContact O-CD2 3.43Å; I598-Y600 VanDerWaalsContact O-CE2 3.32Å; I598-Y600 WeakPolarHBondContact O-CE2 3.34Å
599Q76Confident76.6Confident120 Ų12051.2 Ų51.256%0.56126%0.261SS*.PPolyproline II helixtrans-78.8123.5167.8-174.3175.810.200110.6
600Y83.5Confident76.5Confident10 Ų1053.2 Ų53.24%0.03927%0.271CS..EExtended strand (participates in β ladder)trans-100.5131.6178.4-66.6-84.8000111N395 F396 K397 P570 Q571 F573 R592 H593 I598N395-Y600 PolarHBondContact O-N 3.25Å; F396-Y600 CarbonylContact C-O 3.53Å; F396-Y600 WeakPolarHBondContact CA-O 3.08Å; K397-Y600 PolarHBondContact N-O 3.43Å; P570-Y600 WeakPolarHBondContact O-CE1 3.4Å; Q571-Y600 WeakPolarHBondContact O-CD1 3.28Å; F573-Y600 HydrophobicContact CE2-CD1 4.21Å; R592-Y600 HydrophobicContact CB-CE1 4.03Å; R592-Y600 VanDerWaalsContact CD-CD1 3.43Å; R592-Y600 VanDerWaalsContact CD-CE1 3.42Å; R592-Y600 HydrophobicContact CG-CD1 4.18Å; R592-Y600 HydrophobicContact CG-CE1 3.75Å; H593-Y600 PolarHBondContact O-OH 3.41Å; I598-Y600 HydrophobicContact CB-CE2 3.94Å; I598-Y600 HydrophobicContact CG2-CD1 4.45Å; I598-Y600 HydrophobicContact CG2-CD2 4.35Å; I598-Y600 HydrophobicContact CG2-CE1 4.04Å; I598-Y600 HydrophobicContact CG2-CE2 3.99Å; I598-Y600 WeakPolarHBondContact O-CD2 3.43Å; I598-Y600 VanDerWaalsContact O-CE2 3.32Å; I598-Y600 WeakPolarHBondContact O-CE2 3.34Å
601N88.7Confident77Confident28 Ų2850.8 Ų50.815%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-107.6128.4177-66.2-35.3000109.2Q571 T572 F573Q571-N601 PolarHBondContact O-N 2.91Å; T572-N601 CarbonylContact C-O 3.56Å; T572-N601 WeakPolarHBondContact CA-O 3.3Å; T572-N601 HydrophobicContact CG2-CB 4.19Å; F573-N601 PolarHBondContact N-O 3.17Å
602M91.1Very high77.7Confident0 Ų049.1 Ų49.10%025%0.251CS..EExtended strand (participates in β ladder)trans-122.4126.7171.7-178.6178.5-64.100109.8I363 F396 K397 L398 H399 F573 F575 V585 Y589 I604I363-M602 HydrophobicContact CD1-CE 4.08Å; I363-M602 HydrophobicContact CD1-SD 3.52Å; I363-M602 VanDerWaalsContact CD1-SD 3.52Å; F396-M602 HydrophobicContact CE2-CB 3.36Å; F396-M602 HydrophobicContact CE2-CE 3.82Å; F396-M602 HydrophobicContact CE2-CG 4.35Å; F396-M602 HydrophobicContact CE2-SD 4.19Å; F396-M602 HydrophobicContact CZ-CB 3.43Å; F396-M602 VanDerWaalsContact CZ-CB 3.43Å; F396-M602 HydrophobicContact CZ-CE 3.91Å; F396-M602 HydrophobicContact CZ-CG 4.14Å; F396-M602 HydrophobicContact CZ-SD 3.75Å; K397-M602 PolarHBondContact O-N 2.85Å; L398-M602 CarbonylContact C-O 3.55Å; L398-M602 WeakPolarHBondContact CA-O 3.41Å; L398-M602 HydrophobicContact CD1-CB 4.32Å; L398-M602 HydrophobicContact CD1-CG 4.21Å; L398-M602 HydrophobicContact CD1-SD 4.29Å; H399-M602 PolarHBondContact N-O 3.28Å; F573-M602 HydrophobicContact CB-CB 4.26Å; F573-M602 HydrophobicContact CB-CE 4.37Å; F573-M602 HydrophobicContact CB-CG 4.1Å; F573-M602 HydrophobicContact CG-CE 4.44Å; F573-M602 CarbonylContact O-C 3.53Å; F573-M602 VanDerWaalsContact O-CA 3.3Å; F573-M602 WeakPolarHBondContact O-CA 3.37Å; F575-M602 HydrophobicContact CD2-CG 3.96Å; F575-M602 HydrophobicContact CD2-SD 4.19Å; F575-M602 HydrophobicContact CE2-CE 3.88Å; F575-M602 HydrophobicContact CE2-CG 3.82Å; F575-M602 HydrophobicContact CE2-SD 3.69Å; V585-M602 HydrophobicContact CG1-CE 3.66Å; V585-M602 HydrophobicContact CG1-SD 3.63Å; Y589-M602 HydrophobicContact CD2-CE 3.94Å; Y589-M602 HydrophobicContact CG-CE 4.42Å; M602-I604 HydrophobicContact CG-CG1 4.35Å; M602-I604 HydrophobicContact SD-CD1 4.39Å
603T93.2Very high78.3Confident1 Ų150.2 Ų50.21%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-115.7129.4175.7-54.50000108.8H399 I401 I490 F573 I574 F575H399-T603 HydrophobicContact CB-CG2 4.26Å; H399-T603 CarbonylContact O-C 3.58Å; H399-T603 VanDerWaalsContact O-CA 3.25Å; H399-T603 WeakPolarHBondContact O-CA 3.2Å; I401-T603 HydrophobicContact CD1-CG2 3.39Å; I401-T603 HydrophobicContact CG1-CG2 3.87Å; I490-T603 HydrophobicContact CD1-CG2 4.3Å; F573-T603 PolarHBondContact O-N 3.03Å; I574-T603 CarbonylContact C-O 3.54Å; I574-T603 WeakPolarHBondContact CA-O 3.24Å; F575-T603 PolarHBondContact N-O 3.21Å
604I93.6Very high79.4Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-117.9116.4173.1-55.2177.2000107.9L398 H399 L400 I401 F575 P578 M602 V615 I618 T619L398-I604 HydrophobicContact CD1-CD1 4.31Å; H399-I604 PolarHBondContact O-N 2.92Å; L400-I604 HydrophobicContact CD2-CB 4.03Å; L400-I604 HydrophobicContact CD2-CD1 4.29Å; L400-I604 HydrophobicContact CD2-CG1 4.43Å; I401-I604 PolarHBondContact N-O 3.46Å; F575-I604 HydrophobicContact CB-CB 4.42Å; F575-I604 HydrophobicContact CB-CG1 4.16Å; F575-I604 HydrophobicContact CB-CG2 4.27Å; F575-I604 HydrophobicContact CD2-CG1 3.96Å; F575-I604 HydrophobicContact CG-CG1 4.35Å; P578-I604 HydrophobicContact CB-CG2 4.39Å; M602-I604 HydrophobicContact CG-CG1 4.35Å; M602-I604 HydrophobicContact SD-CD1 4.39Å; I604-V615 HydrophobicContact CG2-CG2 4.1Å; I604-I618 HydrophobicContact CD1-CG2 4.31Å; I604-T619 HydrophobicContact CD1-CG2 4.2Å
605L94.7Very high80.8Confident0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans-90.2126.6172.1179.166.5000108.5I401 F403 R482 A485 F486 I490 F575 Y576 G577 P578I401-L605 HydrophobicContact CB-CD1 3.99Å; I401-L605 HydrophobicContact CG2-CD1 3.52Å; I401-L605 WeakPolarHBondContact O-CA 3.39Å; F403-L605 HydrophobicContact CD1-CD1 3.57Å; F403-L605 HydrophobicContact CD1-CG 3.98Å; F403-L605 HydrophobicContact CE1-CD1 4.02Å; F403-L605 HydrophobicContact CE1-CG 3.88Å; R482-L605 HydrophobicContact CG-CD2 3.59Å; R482-L605 HydrophobicContact CG-CG 4.19Å; A485-L605 HydrophobicContact CB-CD1 3.87Å; F486-L605 HydrophobicContact CB-CD2 4.11Å; I490-L605 HydrophobicContact CD1-CB 4.25Å; I490-L605 HydrophobicContact CD1-CD2 4.28Å; F575-L605 PolarHBondContact O-N 3.25Å; Y576-L605 HydrophobicContact CD2-CD2 4.18Å; Y576-L605 HydrophobicContact CE2-CD2 4.27Å; Y576-L605 WeakPolarHBondContact O-CB 3.47Å; G577-L605 WeakPolarHBondContact CA-O 3.4Å; P578-L605 WeakPolarHBondContact CD-O 3.34Å
606Y92.8Very high81.8Confident2 Ų236 Ų361%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-148.4148.5-17572.2-78.3000113.2L400 I401 S402 F403 E611 V615 E623L400-Y606 HydrophobicContact CB-CE1 3.99Å; I401-Y606 WeakPolarHBondContact O-CD1 3.43Å; I401-Y606 PolarHBondContact O-N 3.01Å; S402-Y606 WeakPolarHBondContact CA-O 3.46Å; F403-Y606 WeakPolarHBondContact CD1-O 3.13Å; F403-Y606 WeakPolarHBondContact CE1-O 3.33Å; F403-Y606 PolarHBondContact N-O 2.88Å; Y606-E611 WeakPolarHBondContact CA-OE2 3.32Å; Y606-V615 HydrophobicContact CD1-CG2 4Å; Y606-V615 HydrophobicContact CD2-CG2 3.89Å; Y606-V615 HydrophobicContact CE1-CG1 4.5Å; Y606-V615 HydrophobicContact CG-CG2 3.58Å; Y606-E623 PolarHBondContact OH-O 3Å; Y606-E623 VanDerWaalsContact OH-O 3.07Å
607C90.2Very high82.7Confident1 Ų130.1 Ų30.11%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-86.1117.7177.9-171.90000110.5F403 V478 I610 E611F403-C607 HydrophobicContact CE1-CB 4.21Å; F403-C607 HydrophobicContact CE2-CB 3.81Å; F403-C607 HydrophobicContact CZ-CB 3.59Å; V478-C607 HydrophobicContact CG1-CB 4.23Å; C607-I610 PolarHBondContact O-N 3.36Å; C607-E611 HydrophobicContact CB-CG 4.21Å; C607-E611 WeakPolarHBondContact CB-OE2 3.37Å; C607-E611 PolarHBondContact N-OE2 3.43Å; C607-E611 WeakPolarHBondContact O-CB 3.42Å; C607-E611 PolarHBondContact O-N 3.41Å
608H84.6Confident83.4Confident29 Ų2921.4 Ų21.413%0.13411%0.108CC..THydrogen-bonded Turntrans-86.1131.6170.3-175.273.8000110.1F403 Q408 T612F403-H608 PolarHBondContact O-N 3.42Å; Q408-H608 PolarHBondContact NE2-O 3.08Å; Q408-H608 PolarHBondContact OE1-O 3Å; Q408-H608 VanDerWaalsContact OE1-O 3.08Å; H608-T612 PolarHBondContact ND1-OG1 2.83Å
609P76.8Confident83.7Confident40 Ų4020.2 Ų20.226%0.2610%0.102SC..THydrogen-bonded Turncis-96.9-9.67.437.3-35.2000115.2E611 T612P609-E611 PolarHBondContact O-N 3.18Å; P609-T612 WeakPolarHBondContact O-CB 3.16Å; P609-T612 PolarHBondContact O-N 3.28Å; P609-T612 PolarHBondContact O-OG1 2.85Å
610I81.2Confident83.3Confident41 Ų4115.7 Ų15.721%0.219%0.088CC..THydrogen-bonded Turntrans-59.5-45.3-166.5-54.4165.3000112F325 L473 C607 H613F325-I610 HydrophobicContact CB-CG2 4.08Å; L473-I610 HydrophobicContact CD1-CD1 3.34Å; L473-I610 HydrophobicContact CD1-CG1 3.86Å; L473-I610 HydrophobicContact CD2-CD1 3.49Å; L473-I610 VanDerWaalsContact CD2-CD1 3.49Å; L473-I610 HydrophobicContact CG-CD1 3.93Å; C607-I610 PolarHBondContact O-N 3.36Å; I610-H613 PolarHBondContact O-CE1 3.34Å; I610-H613 PolarHBondContact O-ND1 2.89Å
611E86.9Confident82.3Confident23 Ų2317.9 Ų17.911%0.10711%0.105CC..THydrogen-bonded Turntrans-95.9-1.7-171.8-62-177.614500112.5R482 P578 Y606 C607 P609 H613 I614 V615R482-E611 IonicContact CZ-OE1 2.8Å; R482-E611 IonicContact CZ-OE2 3.96Å; R482-E611 IonicContact NH2-OE1 3.72Å; R482-E611 PolarHBondContact NH2-OE1 3.12Å; R482-E611 IonicContact NH2-OE2 3.15Å; R482-E611 PolarHBondContact NH2-OE2 2.93Å; P578-E611 HydrophobicContact CG-CB 3.78Å; P578-E611 HydrophobicContact CG-CG 4.17Å; Y606-E611 WeakPolarHBondContact CA-OE2 3.32Å; C607-E611 HydrophobicContact CB-CG 4.21Å; C607-E611 WeakPolarHBondContact CB-OE2 3.37Å; C607-E611 PolarHBondContact N-OE2 3.43Å; C607-E611 WeakPolarHBondContact O-CB 3.42Å; C607-E611 PolarHBondContact O-N 3.41Å; P609-E611 PolarHBondContact O-N 3.18Å; E611-H613 VanDerWaalsContact C-N 3.27Å; E611-H613 PolarHBondContact O-N 3.49Å; E611-I614 PolarHBondContact O-N 2.86Å; E611-I614 VanDerWaalsContact O-N 3.17Å; E611-V615 PolarHBondContact O-N 3.48Å
612T81.9Confident80.6Confident8 Ų818 Ų185%0.04911%0.107CC..Hα-helixtrans-60.5-37.1-175.9-61.70000112.3H608 P609 I614 V615 A616 V622H608-T612 PolarHBondContact ND1-OG1 2.83Å; P609-T612 WeakPolarHBondContact O-CB 3.16Å; P609-T612 PolarHBondContact O-N 3.28Å; P609-T612 PolarHBondContact O-OG1 2.85Å; T612-I614 PolarHBondContact O-N 2.84Å; T612-V615 PolarHBondContact O-N 3.02Å; T612-A616 WeakPolarHBondContact O-CB 3.47Å; T612-A616 PolarHBondContact O-N 3.43Å; T612-V622 HydrophobicContact CG2-CB 4.33Å; T612-V622 HydrophobicContact CG2-CG1 3.43Å; T612-V622 VanDerWaalsContact CG2-CG1 3.43Å; T612-V622 HydrophobicContact CG2-CG2 3.93Å
613H76.8Confident78.6Confident67 Ų6723.9 Ų23.931%0.3113%0.134SC..Hα-helixtrans-65.7-37.9178.870.5-78.5000112.6I610 E611 A616 M617I610-H613 PolarHBondContact O-CE1 3.34Å; I610-H613 PolarHBondContact O-ND1 2.89Å; E611-H613 VanDerWaalsContact C-N 3.27Å; E611-H613 PolarHBondContact O-N 3.49Å; H613-A616 PolarHBondContact O-N 3.1Å; H613-M617 WeakPolarHBondContact O-CB 3.19Å; H613-M617 PolarHBondContact O-N 3.34Å
614I80Confident76.1Confident19 Ų1932.5 Ų32.510%0.09717%0.172CC..Hα-helixtrans-67.7-43.4176.9-54.9-177.8000109.8P578 P582 E611 T612 A616 M617 I618P578-I614 HydrophobicContact CB-CB 4.29Å; P578-I614 HydrophobicContact CB-CG2 3.85Å; P582-I614 HydrophobicContact CG-CG2 4.18Å; E611-I614 PolarHBondContact O-N 2.86Å; E611-I614 VanDerWaalsContact O-N 3.17Å; T612-I614 PolarHBondContact O-N 2.84Å; I614-A616 VanDerWaalsContact C-N 3.34Å; I614-A616 PolarHBondContact O-N 3.3Å; I614-M617 WeakPolarHBondContact O-CB 3.36Å; I614-M617 PolarHBondContact O-N 2.66Å; I614-M617 VanDerWaalsContact O-N 3.13Å; I614-I618 HydrophobicContact CG2-CD1 3.86Å; I614-I618 VanDerWaalsContact O-CG1 3.32Å; I614-I618 WeakPolarHBondContact O-CG1 3.33Å; I614-I618 PolarHBondContact O-N 2.78Å
615V82.3Confident75.3Confident0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-62.3-42.6175.9176.60000111.3L400 P578 I604 Y606 E611 T612 M617 I618 T619L400-V615 HydrophobicContact CD1-CG1 3.99Å; L400-V615 HydrophobicContact CD2-CG1 3.8Å; P578-V615 HydrophobicContact CB-CG2 4.27Å; P578-V615 HydrophobicContact CG-CG2 4.39Å; I604-V615 HydrophobicContact CG2-CG2 4.1Å; Y606-V615 HydrophobicContact CD1-CG2 4Å; Y606-V615 HydrophobicContact CD2-CG2 3.89Å; Y606-V615 HydrophobicContact CE1-CG1 4.5Å; Y606-V615 HydrophobicContact CG-CG2 3.58Å; E611-V615 PolarHBondContact O-N 3.48Å; T612-V615 PolarHBondContact O-N 3.02Å; V615-M617 VanDerWaalsContact C-N 3.28Å; V615-M617 PolarHBondContact O-N 3.07Å; V615-I618 PolarHBondContact O-N 3.32Å; V615-T619 HydrophobicContact CG1-CG2 4.33Å; V615-T619 WeakPolarHBondContact O-CB 3.17Å; V615-T619 WeakPolarHBondContact O-CG2 3.23Å; V615-T619 PolarHBondContact O-N 2.86Å; V615-T619 PolarHBondContact O-OG1 3.22Å
616A77.5Confident74.2Confident11 Ų1135.9 Ų35.99%0.09119%0.19CC..Hα-helixtrans-60-39.2173.600000111.8T612 H613 I614 G620 V622T612-A616 WeakPolarHBondContact O-CB 3.47Å; T612-A616 PolarHBondContact O-N 3.43Å; H613-A616 PolarHBondContact O-N 3.1Å; I614-A616 VanDerWaalsContact C-N 3.34Å; I614-A616 PolarHBondContact O-N 3.3Å; A616-G620 WeakPolarHBondContact O-CA 3.47Å; A616-G620 PolarHBondContact O-N 3.41Å; A616-V622 HydrophobicContact CB-CG2 3.44Å; A616-V622 VanDerWaalsContact CB-CG2 3.44Å
617M74.3Confident73.2Confident21 Ų2137.8 Ų37.810%0.10320%0.2CC..Hα-helixtrans-66.1-39.1178-170.9-179.6174.200112.4P345 L357 V361 P582 H613 I614 V615P345-M617 HydrophobicContact CB-CE 4.35Å; P345-M617 HydrophobicContact CB-SD 4.36Å; L357-M617 VanDerWaalsContact CD1-O 3.29Å; L357-M617 WeakPolarHBondContact CD1-O 3.39Å; L357-M617 HydrophobicContact CD2-CB 4.15Å; L357-M617 HydrophobicContact CD2-CG 3.56Å; V361-M617 HydrophobicContact CG1-CE 4.18Å; V361-M617 HydrophobicContact CG1-CG 4.34Å; V361-M617 HydrophobicContact CG2-CE 4.27Å; P582-M617 HydrophobicContact CB-CE 4.33Å; P582-M617 HydrophobicContact CB-CG 4.45Å; P582-M617 HydrophobicContact CB-SD 4.11Å; P582-M617 HydrophobicContact CG-CE 4.11Å; P582-M617 HydrophobicContact CG-CG 4.49Å; P582-M617 HydrophobicContact CG-SD 3.62Å; H613-M617 WeakPolarHBondContact O-CB 3.19Å; H613-M617 PolarHBondContact O-N 3.34Å; I614-M617 WeakPolarHBondContact O-CB 3.36Å; I614-M617 PolarHBondContact O-N 2.66Å; I614-M617 VanDerWaalsContact O-N 3.13Å; V615-M617 VanDerWaalsContact C-N 3.28Å; V615-M617 PolarHBondContact O-N 3.07Å
618I77.1Confident72.2Confident0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-74.1-44.2-180-66161.1000111.1I363 P578 P582 V585 I604 I614 V615I363-I618 HydrophobicContact CD1-CG2 3.99Å; I363-I618 HydrophobicContact CG1-CG2 4.18Å; P578-I618 HydrophobicContact CB-CD1 4.41Å; P582-I618 HydrophobicContact CB-CD1 4.48Å; P582-I618 HydrophobicContact CB-CG1 3.81Å; V585-I618 HydrophobicContact CB-CG2 4.08Å; V585-I618 HydrophobicContact CG1-CG2 3.95Å; V585-I618 HydrophobicContact CG2-CD1 3.92Å; V585-I618 HydrophobicContact CG2-CG1 4.3Å; V585-I618 HydrophobicContact CG2-CG2 3.99Å; I604-I618 HydrophobicContact CD1-CG2 4.31Å; I614-I618 HydrophobicContact CG2-CD1 3.86Å; I614-I618 VanDerWaalsContact O-CG1 3.32Å; I614-I618 WeakPolarHBondContact O-CG1 3.33Å; I614-I618 PolarHBondContact O-N 2.78Å; V615-I618 PolarHBondContact O-N 3.32Å
619T75Confident71.4Confident3 Ų340.6 Ų40.62%0.01822%0.216CC..Hα-helixtrans-105.1-19.9-16566.60000113.4L398 L400 I604 V615 S621L398-T619 HydrophobicContact CD1-CG2 4.4Å; L398-T619 HydrophobicContact CD2-CG2 3.61Å; L400-T619 HydrophobicContact CD2-CG2 4.24Å; I604-T619 HydrophobicContact CD1-CG2 4.2Å; V615-T619 HydrophobicContact CG1-CG2 4.33Å; V615-T619 WeakPolarHBondContact O-CB 3.17Å; V615-T619 WeakPolarHBondContact O-CG2 3.23Å; V615-T619 PolarHBondContact O-N 2.86Å; V615-T619 PolarHBondContact O-OG1 3.22Å; T619-S621 PolarHBondContact O-N 2.68Å; T619-S621 PolarHBondContact OG1-N 3.04Å; T619-S621 PolarHBondContact OG1-O 3.32Å
620G67.9Low71.1Confident25 Ų2540.7 Ų40.726%0.25821%0.213SC..SBendtrans71.71.3-17300000114.6A616A616-G620 WeakPolarHBondContact O-CA 3.47Å; A616-G620 PolarHBondContact O-N 3.41Å
621S61.3Low70.4Confident57 Ų5740.6 Ų40.640%0.39921%0.213SC..  trans-133.9150.6178.9570000110.2T619T619-S621 PolarHBondContact O-N 2.68Å; T619-S621 PolarHBondContact OG1-N 3.04Å; T619-S621 PolarHBondContact OG1-O 3.32Å
622V53Low69.1Low30 Ų3042 Ų4218%0.18222%0.222CC..  trans-125.4126.3166.9-178.30000106.3T612 A616 F624T612-V622 HydrophobicContact CG2-CB 4.33Å; T612-V622 HydrophobicContact CG2-CG1 3.43Å; T612-V622 VanDerWaalsContact CG2-CG1 3.43Å; T612-V622 HydrophobicContact CG2-CG2 3.93Å; A616-V622 HydrophobicContact CB-CG2 3.44Å; A616-V622 VanDerWaalsContact CB-CG2 3.44Å; V622-F624 HydrophobicContact CB-CD2 4.38Å; V622-F624 HydrophobicContact CB-CE2 4.04Å; V622-F624 HydrophobicContact CB-CZ 4.18Å; V622-F624 HydrophobicContact CG1-CD1 4.13Å; V622-F624 HydrophobicContact CG1-CD2 4.29Å; V622-F624 HydrophobicContact CG1-CE1 4.03Å; V622-F624 HydrophobicContact CG1-CE2 4.2Å; V622-F624 HydrophobicContact CG1-CG 4.26Å; V622-F624 HydrophobicContact CG1-CZ 4.07Å; V622-F624 PolarHBondContact O-N 2.86Å
623E50Low68Low123 Ų12344.8 Ų44.858%0.57524%0.236SC*.  trans-79.6110.2160.6-71.1-179175.600106.1Y606Y606-E623 PolarHBondContact OH-O 3Å; Y606-E623 VanDerWaalsContact OH-O 3.07Å
624F41.1Very low67.2Low182 Ų18242.8 Ų42.880%0.79823%0.229SC*.  trans-80.80174.4-74.5-75.2000110.8L413 V622L413-F624 HydrophobicContact CD2-CE1 4.22Å; V622-F624 HydrophobicContact CB-CD2 4.38Å; V622-F624 HydrophobicContact CB-CE2 4.04Å; V622-F624 HydrophobicContact CB-CZ 4.18Å; V622-F624 HydrophobicContact CG1-CD1 4.13Å; V622-F624 HydrophobicContact CG1-CD2 4.29Å; V622-F624 HydrophobicContact CG1-CE1 4.03Å; V622-F624 HydrophobicContact CG1-CE2 4.2Å; V622-F624 HydrophobicContact CG1-CG 4.26Å; V622-F624 HydrophobicContact CG1-CZ 4.07Å; V622-F624 PolarHBondContact O-N 2.86Å

Retrieved 624 of 624 residues in 738.3 ms (Link to these results)

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