A0A3Q0KQ90_SCHMA Loading...

Nucleoside diphosphate kinase

AlphaFold DB (A0A5K4ETS2), UniProt , Accession A0A3Q0KQ90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 369 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
1M38.8Very low77.1Confident243 Ų24376.1 Ų76.1100%1.19741%0.41SS*.  0125.60-75.6169167.800107.5K3M1-K3 PolarHBondContact O-N 3.05Å
2S40.6Very low78.8Confident93 Ų9369.8 Ų69.865%0.6538%0.376SS*.  trans-61.2134.8179.254.70000109.8T4S2-T4 PolarHBondContact O-N 3.43Å; S2-T4 PolarHBondContact OG-OG1 3.32Å
3K54.8Low80.1Confident212 Ų21267.8 Ų67.892%0.92236%0.363SS*.THydrogen-bonded Turntrans-63.51-179.7-83.3-175173.5-177.30114.8M1M1-K3 PolarHBondContact O-N 3.05Å
4T66.6Low81Confident101 Ų10165.8 Ų65.862%0.6235%0.348SS*.THydrogen-bonded Turntrans-80.1-29.5-169.753.60000113.6S2S2-T4 PolarHBondContact O-N 3.43Å; S2-T4 PolarHBondContact OG-OG1 3.32Å
5D78.1Confident81.4Confident68 Ų6869.5 Ų69.536%0.36436%0.36SS..SBendtrans-143.978.2-173.7-57.5-69.3000112.6T31 K32D5-T31 WeakPolarHBondContact CA-OG1 3.36Å; D5-K32 HydrophobicContact CB-CB 3.67Å; D5-K32 HydrophobicContact CB-CD 4.43Å; D5-K32 HydrophobicContact CB-CG 4.18Å
6P88.1Confident81.5Confident33 Ų3366.8 Ų66.821%0.21435%0.346CS..  trans-66.6148.3176.828.3-34000111.7Y8 T31 F83P6-Y8 HydrophobicContact CB-CE1 4.24Å; P6-Y8 HydrophobicContact CG-CE1 4.14Å; P6-Y8 HydrophobicContact CG-CE2 3.95Å; P6-Y8 VanDerWaalsContact CG-OH 3.25Å; P6-Y8 WeakPolarHBondContact CG-OH 3.28Å; P6-T31 WeakPolarHBondContact O-CG2 3.41Å; P6-T31 PolarHBondContact O-OG1 3.46Å; P6-F83 HydrophobicContact CB-CE1 3.73Å; P6-F83 HydrophobicContact CB-CZ 3.73Å
7S93.4Very high81.4Confident49 Ų4967.2 Ų67.234%0.34336%0.362SS..EExtended strand (participates in β ladder)trans-94.4144.7161.9-54.90000108.6Y29 H30S7-Y29 CarbonylContact C-O 3.53Å; S7-Y29 VanDerWaalsContact CA-O 3.28Å; S7-Y29 WeakPolarHBondContact CA-O 3.45Å; S7-H30 PolarHBondContact OG-ND1 2.89Å
8Y95.8Very high81.3Confident10 Ų1072.6 Ų72.64%0.03939%0.389CS..EExtended strand (participates in β ladder)trans-117.6131.8-179.3-62.2-68.2000109.9P6 I28 Y29 T31 L58 F83 T84 E87 F88P6-Y8 HydrophobicContact CB-CE1 4.24Å; P6-Y8 HydrophobicContact CG-CE1 4.14Å; P6-Y8 HydrophobicContact CG-CE2 3.95Å; P6-Y8 VanDerWaalsContact CG-OH 3.25Å; P6-Y8 WeakPolarHBondContact CG-OH 3.28Å; Y8-I28 CarbonylContact O-C 3.59Å; Y8-I28 VanDerWaalsContact O-CA 3.31Å; Y8-I28 WeakPolarHBondContact O-CA 3.46Å; Y8-Y29 PolarHBondContact N-O 3.42Å; Y8-Y29 PolarHBondContact O-N 2.88Å; Y8-T31 HydrophobicContact CD2-CG2 3.91Å; Y8-T31 HydrophobicContact CE2-CG2 3.61Å; Y8-L58 HydrophobicContact CD2-CD1 3.47Å; Y8-L58 VanDerWaalsContact CD2-CD1 3.47Å; Y8-L58 HydrophobicContact CD2-CD2 4.42Å; Y8-L58 HydrophobicContact CE2-CD1 3.66Å; Y8-L58 HydrophobicContact CE2-CD2 3.73Å; Y8-L58 HydrophobicContact CE2-CG 4.38Å; Y8-L58 HydrophobicContact CG-CD1 4.42Å; Y8-F83 HydrophobicContact CD1-CE1 4.19Å; Y8-F83 HydrophobicContact CE1-CE1 4.08Å; Y8-T84 WeakPolarHBondContact CA-OG1 3.45Å; Y8-T84 HydrophobicContact CD1-CG2 3.94Å; Y8-T84 HydrophobicContact CG-CG2 4.3Å; Y8-E87 HydrophobicContact CE1-CB 4.01Å; Y8-E87 HydrophobicContact CE1-CG 4.17Å; Y8-F88 HydrophobicContact CD1-CD2 4.35Å; Y8-F88 AromaticContact CD1-CE2 3.74Å; Y8-F88 HydrophobicContact CD1-CE2 3.74Å; Y8-F88 HydrophobicContact CD2-CE2 4.37Å; Y8-F88 HydrophobicContact CE1-CE2 4.04Å; Y8-F88 AromaticContact CG-CE2 3.9Å; Y8-F88 HydrophobicContact CG-CE2 3.9Å
9C96.8Very high81.5Confident10 Ų1071.4 Ų71.47%0.06839%0.387CS..EExtended strand (participates in β ladder)trans-105.3128.6-178.6-168.30000110.1I28 G80 D81 T84C9-I28 HydrophobicContact CB-CG1 4.38Å; C9-G80 PolarHBondContact O-N 3.01Å; C9-D81 HydrophobicContact CB-CB 4.35Å; C9-D81 VanDerWaalsContact CB-OD2 3.24Å; C9-D81 WeakPolarHBondContact CB-OD2 3.05Å; C9-T84 PolarHBondContact N-OG1 3.19Å; C9-T84 WeakPolarHBondContact O-CG2 3.44Å
10F97.3Very high81.6Confident0 Ų072.1 Ų72.10%040%0.397CS..EExtended strand (participates in β ladder)trans-125.3140-180-59.4-84.5000110.2V12 L26 L27 F61 I76 Y79 T84 F88F10-V12 HydrophobicContact CB-CG1 4.32Å; F10-L26 CarbonylContact O-C 3.54Å; F10-L26 WeakPolarHBondContact O-CA 3.43Å; F10-L27 PolarHBondContact N-O 3.43Å; F10-L27 PolarHBondContact O-N 3.25Å; F10-F61 AromaticContact CD2-CD1 3.59Å; F10-F61 HydrophobicContact CD2-CD1 3.59Å; F10-F61 HydrophobicContact CD2-CE1 4.23Å; F10-F61 HydrophobicContact CD2-CG 4.38Å; F10-F61 HydrophobicContact CE1-CB 4.09Å; F10-F61 HydrophobicContact CE2-CB 3.81Å; F10-F61 AromaticContact CE2-CD1 3.5Å; F10-F61 HydrophobicContact CE2-CD1 3.5Å; F10-F61 HydrophobicContact CE2-CE1 4.31Å; F10-F61 AromaticContact CE2-CG 3.86Å; F10-F61 HydrophobicContact CE2-CG 3.86Å; F10-F61 HydrophobicContact CG-CD1 4.29Å; F10-F61 HydrophobicContact CZ-CB 3.57Å; F10-F61 HydrophobicContact CZ-CD1 4.16Å; F10-F61 HydrophobicContact CZ-CG 4.16Å; F10-I76 HydrophobicContact CB-CG2 4.16Å; F10-I76 HydrophobicContact CD1-CG2 3.93Å; F10-I76 HydrophobicContact CG-CG2 4.36Å; F10-Y79 HydrophobicContact CD1-CD1 4.16Å; F10-Y79 HydrophobicContact CE1-CD1 4.11Å; F10-Y79 HydrophobicContact CE1-CE1 4.24Å; F10-T84 HydrophobicContact CD1-CG2 4.43Å; F10-T84 HydrophobicContact CE1-CG2 3.92Å; F10-T84 HydrophobicContact CZ-CG2 3.98Å; F10-F88 HydrophobicContact CE1-CD2 4.48Å; F10-F88 HydrophobicContact CE1-CE1 4.31Å; F10-F88 HydrophobicContact CE1-CE2 4.06Å; F10-F88 AromaticContact CE1-CZ 3.97Å; F10-F88 HydrophobicContact CE1-CZ 3.97Å; F10-F88 HydrophobicContact CZ-CD2 4.48Å; F10-F88 HydrophobicContact CZ-CE1 4.27Å; F10-F88 AromaticContact CZ-CE2 3.66Å; F10-F88 HydrophobicContact CZ-CE2 3.66Å; F10-F88 AromaticContact CZ-CZ 3.54Å; F10-F88 HydrophobicContact CZ-CZ 3.54Å
11L97.6Very high82Confident18 Ų1873.7 Ų73.79%0.09440%0.404CS..EExtended strand (participates in β ladder)trans-81.4123.7166.6-178.162.6000108.4R24 L26 E41 V77 D78L11-R24 HydrophobicContact CD1-CB 4.29Å; L11-L26 HydrophobicContact CD1-CD2 4.38Å; L11-E41 HydrophobicContact CD1-CB 4.27Å; L11-E41 HydrophobicContact CD1-CG 3.84Å; L11-E41 WeakPolarHBondContact CD1-OE1 3.24Å; L11-V77 HydrophobicContact CB-CG2 4.26Å; L11-V77 HydrophobicContact CD2-CG2 4.01Å; L11-V77 HydrophobicContact CG-CG2 3.78Å; L11-V77 WeakPolarHBondContact O-CG2 3.12Å; L11-V77 PolarHBondContact O-N 3.24Å; L11-D78 HydrophobicContact CB-CB 3.91Å; L11-D78 HydrophobicContact CD2-CB 4Å; L11-D78 PolarHBondContact N-O 3.08Å; L11-D78 PolarHBondContact O-N 3.1Å
12V97.4Very high84.5Confident0 Ų067.2 Ų67.20%037%0.373CS..EExtended strand (participates in β ladder)trans-123.7145.6-179.7-56.50000112.6F10 R24 F25 L27 L74 K75 I76F10-V12 HydrophobicContact CB-CG1 4.32Å; V12-R24 VanDerWaalsContact O-CA 3.31Å; V12-R24 WeakPolarHBondContact O-CA 3.28Å; V12-F25 HydrophobicContact CG2-CB 3.84Å; V12-F25 WeakPolarHBondContact CG2-O 3.47Å; V12-F25 PolarHBondContact N-O 2.98Å; V12-F25 PolarHBondContact O-N 3.2Å; V12-L27 HydrophobicContact CB-CB 4.48Å; V12-L27 HydrophobicContact CG1-CB 3.69Å; V12-L27 HydrophobicContact CG1-CD2 3.82Å; V12-L27 HydrophobicContact CG1-CG 4.42Å; V12-L27 HydrophobicContact CG2-CB 3.9Å; V12-L74 HydrophobicContact CB-CB 4.15Å; V12-L74 HydrophobicContact CG2-CB 4.22Å; V12-L74 HydrophobicContact CG2-CD1 4.29Å; V12-L74 HydrophobicContact CG2-CD2 4.48Å; V12-K75 CarbonylContact C-O 3.59Å; V12-K75 WeakPolarHBondContact CA-O 3.34Å; V12-K75 WeakPolarHBondContact CB-O 3.2Å; V12-I76 HydrophobicContact CG1-CG1 4Å
13E95.9Very high87Confident44 Ų4466.4 Ų66.421%0.20636%0.356CS..EExtended strand (participates in β ladder)trans-106.3132.8172.7-77.2-177.9168.700110.5I22 R23 R24 K75 V77E13-I22 HydrophobicContact CB-CG2 3.81Å; E13-I22 HydrophobicContact CG-CG2 3.8Å; E13-R23 WeakPolarHBondContact CA-O 3.27Å; E13-R24 HydrophobicContact CG-CG 3.77Å; E13-R24 IonicContact OE1-CZ 2.86Å; E13-R24 VanDerWaalsContact OE1-CZ 3.25Å; E13-R24 IonicContact OE1-NE 3.46Å; E13-R24 PolarHBondContact OE1-NE 3.5Å; E13-R24 IonicContact OE1-NH2 2.94Å; E13-R24 PolarHBondContact OE1-NH2 3.04Å; E13-K75 PolarHBondContact N-O 3.41Å; E13-K75 PolarHBondContact O-N 3.04Å; E13-V77 HydrophobicContact CB-CG1 4.15Å; E13-V77 HydrophobicContact CG-CG1 3.97Å; E13-V77 HydrophobicContact CG-CG2 3.99Å
14W92.7Very high89Confident40 Ų4061.8 Ų61.815%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-123.8124.217517939.1000109.4D16 I22 R23 F25 F47 R72 L74W14-D16 HydrophobicContact CH2-CB 4.2Å; W14-D16 HydrophobicContact CZ2-CB 4.4Å; W14-D16 HydrophobicContact CZ3-CB 4.28Å; W14-D16 PolarHBondContact O-N 2.93Å; W14-I22 WeakPolarHBondContact O-CA 3.38Å; W14-R23 PolarHBondContact N-O 2.93Å; W14-R23 PolarHBondContact O-N 3.02Å; W14-F25 HydrophobicContact CB-CD2 4.38Å; W14-F25 HydrophobicContact CB-CE2 4.08Å; W14-F25 AromaticContact CE3-CE2 3.79Å; W14-F25 HydrophobicContact CE3-CE2 3.79Å; W14-F25 HydrophobicContact CE3-CZ 4.03Å; W14-F47 HydrophobicContact CZ3-CZ 4.14Å; W14-R72 HydrophobicContact CD2-CG 4.5Å; W14-R72 HydrophobicContact CZ2-CG 3.93Å; W14-L74 HydrophobicContact CB-CD2 3.53Å; W14-L74 HydrophobicContact CG-CD2 3.8Å
15F87.9Confident90.5Very high122 Ų12257 Ų5754%0.53530%0.303SS..EExtended strand (participates in β ladder)trans-82.2112.3170.3-176.9-105.2000109.9A17 I22F15-A17 HydrophobicContact CE1-CB 4.44Å; F15-I22 HydrophobicContact CD2-CG1 4.04Å
16D83.1Confident91.4Very high25 Ų2555.5 Ų55.513%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-86.6108.1173.2174.69.1000109.4W14 I18 S19 S20 L21W14-D16 HydrophobicContact CH2-CB 4.2Å; W14-D16 HydrophobicContact CZ2-CB 4.4Å; W14-D16 HydrophobicContact CZ3-CB 4.28Å; W14-D16 PolarHBondContact O-N 2.93Å; D16-I18 PolarHBondContact O-N 2.78Å; D16-I18 PolarHBondContact OD1-N 3.15Å; D16-S19 WeakPolarHBondContact CB-OG 3.36Å; D16-S19 PolarHBondContact O-N 2.86Å; D16-S19 PolarHBondContact OD2-OG 3.49Å; D16-S20 VanDerWaalsContact O-CA 3.29Å; D16-S20 WeakPolarHBondContact O-CA 3.25Å; D16-S20 PolarHBondContact O-N 3.15Å; D16-L21 PolarHBondContact N-O 2.96Å; D16-L21 PolarHBondContact O-N 3.38Å
17A78.6Confident91.9Very high74 Ų7454 Ų5461%0.61229%0.285SS*.THydrogen-bonded Turntrans-63.7-26.8-177.200000113.5F15F15-A17 HydrophobicContact CE1-CB 4.44Å
18I81Confident92Very high165 Ų16553.2 Ų53.285%0.84628%0.277SS*.THydrogen-bonded Turntrans-74.6-46.1-178.3-60.9172.5000109.9D16D16-I18 PolarHBondContact O-N 2.78Å; D16-I18 PolarHBondContact OD1-N 3.15Å
19S83.8Confident92.1Very high50 Ų5053.2 Ų53.235%0.3528%0.277SS..THydrogen-bonded Turntrans-84.9-12.9178.259.40000113.3D16 L21D16-S19 WeakPolarHBondContact CB-OG 3.36Å; D16-S19 PolarHBondContact O-N 2.86Å; D16-S19 PolarHBondContact OD2-OG 3.49Å; S19-L21 PolarHBondContact O-N 2.94Å
20S84.3Confident92Very high84 Ų8454.5 Ų54.559%0.58728%0.282SS*.THydrogen-bonded Turntrans54.630.2-169.3-61.90000112.8D16D16-S20 VanDerWaalsContact O-CA 3.29Å; D16-S20 WeakPolarHBondContact O-CA 3.25Å; D16-S20 PolarHBondContact O-N 3.15Å
21L89.8Confident91.6Very high107 Ų10756.1 Ų56.156%0.5629%0.292SS*.EExtended strand (participates in β ladder)trans-115.5145.3-178.4-65.9175.8000111.4D16 S19D16-L21 PolarHBondContact N-O 2.96Å; D16-L21 PolarHBondContact O-N 3.38Å; S19-L21 PolarHBondContact O-N 2.94Å
22I91.1Very high91Very high106 Ų10662.7 Ų62.754%0.54432%0.32SS..EExtended strand (participates in β ladder)trans-83.2118.2166.4-59.6173.3000107.8E13 W14 F15E13-I22 HydrophobicContact CB-CG2 3.81Å; E13-I22 HydrophobicContact CG-CG2 3.8Å; W14-I22 WeakPolarHBondContact O-CA 3.38Å; F15-I22 HydrophobicContact CD2-CG1 4.04Å
23R93.9Very high90.5Very high76 Ų7667.9 Ų67.929%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-101.5144.3174.3-65.3-17665.9-179.50.6109.7E13 W14 F25 E40E13-R23 WeakPolarHBondContact CA-O 3.27Å; W14-R23 PolarHBondContact N-O 2.93Å; W14-R23 PolarHBondContact O-N 3.02Å; R23-F25 HydrophobicContact CB-CD2 4.46Å; R23-F25 HydrophobicContact CB-CE2 3.52Å; R23-F25 HydrophobicContact CB-CZ 3.96Å; R23-E40 IonicContact NH2-OE1 2.95Å; R23-E40 PolarHBondContact NH2-OE1 3.28Å
24R96.5Very high90.1Very high116 Ų11667.7 Ų67.744%0.43835%0.35SS..EExtended strand (participates in β ladder)trans-112.2138.5179.1-75.3-178.8178.8-173.8-0.5112L11 V12 E13 E41L11-R24 HydrophobicContact CD1-CB 4.29Å; V12-R24 VanDerWaalsContact O-CA 3.31Å; V12-R24 WeakPolarHBondContact O-CA 3.28Å; E13-R24 HydrophobicContact CG-CG 3.77Å; E13-R24 IonicContact OE1-CZ 2.86Å; E13-R24 VanDerWaalsContact OE1-CZ 3.25Å; E13-R24 IonicContact OE1-NE 3.46Å; E13-R24 PolarHBondContact OE1-NE 3.5Å; E13-R24 IonicContact OE1-NH2 2.94Å; E13-R24 PolarHBondContact OE1-NH2 3.04Å; R24-E41 HydrophobicContact CB-CB 3.96Å; R24-E41 HydrophobicContact CB-CG 4.5Å; R24-E41 WeakPolarHBondContact CB-OE2 3.15Å; R24-E41 WeakPolarHBondContact CD-OE2 3.47Å; R24-E41 PolarHBondContact O-N 3.02Å
25F97.5Very high90.1Very high0 Ų066.1 Ų66.10%035%0.345CS..EExtended strand (participates in β ladder)trans-136.5151.2-179.9-58.3-91.8000110.9V12 W14 R23 M38 H39 E40 F47V12-F25 HydrophobicContact CG2-CB 3.84Å; V12-F25 WeakPolarHBondContact CG2-O 3.47Å; V12-F25 PolarHBondContact N-O 2.98Å; V12-F25 PolarHBondContact O-N 3.2Å; W14-F25 HydrophobicContact CB-CD2 4.38Å; W14-F25 HydrophobicContact CB-CE2 4.08Å; W14-F25 AromaticContact CE3-CE2 3.79Å; W14-F25 HydrophobicContact CE3-CE2 3.79Å; W14-F25 HydrophobicContact CE3-CZ 4.03Å; R23-F25 HydrophobicContact CB-CD2 4.46Å; R23-F25 HydrophobicContact CB-CE2 3.52Å; R23-F25 HydrophobicContact CB-CZ 3.96Å; F25-M38 HydrophobicContact CB-CE 3.67Å; F25-M38 HydrophobicContact CD1-CE 3.9Å; F25-M38 HydrophobicContact CD2-CE 3.78Å; F25-M38 HydrophobicContact CE1-CE 4.49Å; F25-M38 HydrophobicContact CE2-CE 4.4Å; F25-M38 HydrophobicContact CG-CE 3.5Å; F25-M38 VanDerWaalsContact CG-CE 3.5Å; F25-H39 CarbonylContact C-O 3.6Å; F25-H39 WeakPolarHBondContact CA-O 3.45Å; F25-H39 VanDerWaalsContact CB-O 3.31Å; F25-H39 WeakPolarHBondContact CB-O 3.24Å; F25-E40 HydrophobicContact CD1-CG 4.26Å; F25-E40 HydrophobicContact CE1-CG 3.92Å; F25-F47 HydrophobicContact CD1-CB 4.07Å; F25-F47 HydrophobicContact CD1-CD1 4.23Å; F25-F47 HydrophobicContact CD1-CD2 4.49Å; F25-F47 HydrophobicContact CD1-CG 4.01Å; F25-F47 HydrophobicContact CE1-CB 3.94Å; F25-F47 AromaticContact CE1-CD1 3.85Å; F25-F47 HydrophobicContact CE1-CD1 3.85Å; F25-F47 AromaticContact CE1-CD2 3.56Å; F25-F47 HydrophobicContact CE1-CD2 3.56Å; F25-F47 HydrophobicContact CE1-CE1 4.22Å; F25-F47 AromaticContact CE1-CE2 3.96Å; F25-F47 HydrophobicContact CE1-CE2 3.96Å; F25-F47 AromaticContact CE1-CG 3.49Å; F25-F47 HydrophobicContact CE1-CG 3.49Å; F25-F47 VanDerWaalsContact CE1-CG 3.49Å; F25-F47 HydrophobicContact CE1-CZ 4.27Å; F25-F47 HydrophobicContact CZ-CD1 4.43Å; F25-F47 HydrophobicContact CZ-CD2 4.17Å; F25-F47 HydrophobicContact CZ-CE1 4.36Å; F25-F47 HydrophobicContact CZ-CE2 4.1Å; F25-F47 HydrophobicContact CZ-CG 4.33Å; F25-F47 HydrophobicContact CZ-CZ 4.19Å
26L97.8Very high90.5Very high37 Ų3760.3 Ų60.319%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-86.5112.3160.8-62.9174.4000107.4F10 L11 M38 H39F10-L26 CarbonylContact O-C 3.54Å; F10-L26 WeakPolarHBondContact O-CA 3.43Å; L11-L26 HydrophobicContact CD1-CD2 4.38Å; L26-M38 VanDerWaalsContact O-CA 3.3Å; L26-M38 WeakPolarHBondContact O-CA 3.47Å; L26-H39 HydrophobicContact CB-CB 4.43Å; L26-H39 PolarHBondContact N-O 3.38Å; L26-H39 PolarHBondContact O-N 3.02Å
27L97.7Very high91.1Very high0 Ų060.9 Ų60.90%032%0.321CS..EExtended strand (participates in β ladder)trans-96.8114.6174.6178.967000108.8F10 V12 V36 E37 M38 F61 V67 L74F10-L27 PolarHBondContact N-O 3.43Å; F10-L27 PolarHBondContact O-N 3.25Å; V12-L27 HydrophobicContact CB-CB 4.48Å; V12-L27 HydrophobicContact CG1-CB 3.69Å; V12-L27 HydrophobicContact CG1-CD2 3.82Å; V12-L27 HydrophobicContact CG1-CG 4.42Å; V12-L27 HydrophobicContact CG2-CB 3.9Å; L27-V36 HydrophobicContact CD1-CB 3.86Å; L27-V36 HydrophobicContact CD1-CG1 4.19Å; L27-E37 CarbonylContact C-O 3.58Å; L27-E37 WeakPolarHBondContact CA-O 3.06Å; L27-M38 HydrophobicContact CD1-CG 3.46Å; L27-M38 VanDerWaalsContact CD1-CG 3.46Å; L27-M38 HydrophobicContact CD1-SD 4.17Å; L27-F61 HydrophobicContact CD2-CE1 3.74Å; L27-F61 HydrophobicContact CG-CE1 4.33Å; L27-V67 HydrophobicContact CD2-CG2 3.72Å; L27-L74 HydrophobicContact CD1-CD1 4.42Å; L27-L74 HydrophobicContact CD2-CD1 4.3Å
28I96.6Very high92Very high34 Ų3457.4 Ų57.417%0.17429%0.293CS..EExtended strand (participates in β ladder)trans-101121178.1-55.8169.7000108.1Y8 C9 V36 E37Y8-I28 CarbonylContact O-C 3.59Å; Y8-I28 VanDerWaalsContact O-CA 3.31Å; Y8-I28 WeakPolarHBondContact O-CA 3.46Å; C9-I28 HydrophobicContact CB-CG1 4.38Å; I28-V36 CarbonylContact O-C 3.58Å; I28-V36 VanDerWaalsContact O-CA 3.24Å; I28-V36 WeakPolarHBondContact O-CA 3.43Å; I28-E37 HydrophobicContact CB-CB 4.26Å; I28-E37 PolarHBondContact N-O 3.16Å; I28-E37 PolarHBondContact O-N 3.03Å
29Y96.3Very high92.8Very high10 Ų1050.9 Ų50.94%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-100.8118.2172.4178.4-106.9000110.1S7 Y8 T31 S34 V36 L56 L58 F61S7-Y29 CarbonylContact C-O 3.53Å; S7-Y29 VanDerWaalsContact CA-O 3.28Å; S7-Y29 WeakPolarHBondContact CA-O 3.45Å; Y8-Y29 PolarHBondContact N-O 3.42Å; Y8-Y29 PolarHBondContact O-N 2.88Å; Y29-T31 HydrophobicContact CD1-CG2 4.14Å; Y29-T31 HydrophobicContact CE1-CG2 3.91Å; Y29-S34 PolarHBondContact OH-OG 2.89Å; Y29-V36 HydrophobicContact CD2-CG1 3.97Å; Y29-L56 HydrophobicContact CD2-CD2 4.42Å; Y29-L56 HydrophobicContact CE2-CD2 4.45Å; Y29-L58 HydrophobicContact CD1-CD1 3.88Å; Y29-L58 HydrophobicContact CE1-CB 4.02Å; Y29-L58 HydrophobicContact CE1-CD1 4.05Å; Y29-F61 HydrophobicContact CD1-CD2 4.49Å; Y29-F61 HydrophobicContact CD1-CE2 4.15Å; Y29-F61 HydrophobicContact CD2-CE1 4.48Å; Y29-F61 AromaticContact CD2-CE2 3.52Å; Y29-F61 HydrophobicContact CD2-CE2 3.52Å; Y29-F61 AromaticContact CD2-CZ 3.47Å; Y29-F61 HydrophobicContact CD2-CZ 3.47Å; Y29-F61 VanDerWaalsContact CD2-CZ 3.47Å; Y29-F61 HydrophobicContact CE1-CE2 4.49Å; Y29-F61 AromaticContact CE2-CE2 3.91Å; Y29-F61 HydrophobicContact CE2-CE2 3.91Å; Y29-F61 HydrophobicContact CE2-CZ 4.25Å; Y29-F61 HydrophobicContact CG-CD2 4.32Å; Y29-F61 HydrophobicContact CG-CE1 4.31Å; Y29-F61 AromaticContact CG-CE2 3.65Å; Y29-F61 HydrophobicContact CG-CE2 3.65Å; Y29-F61 AromaticContact CG-CZ 3.64Å; Y29-F61 HydrophobicContact CG-CZ 3.64Å
30H94.4Very high93.4Very high37 Ų3751 Ų5117%0.17125%0.253CS..EExtended strand (participates in β ladder)trans-93.3108.7177.3-55-75.6000110S7 K32 I33 S34 S35 E37S7-H30 PolarHBondContact OG-ND1 2.89Å; H30-K32 VanDerWaalsContact C-N 3.28Å; H30-K32 PolarHBondContact O-N 3.24Å; H30-I33 PolarHBondContact O-N 3.47Å; H30-S34 WeakPolarHBondContact O-CA 3.47Å; H30-S34 PolarHBondContact O-N 3.27Å; H30-S35 PolarHBondContact CD2-OG 3.29Å; H30-S35 PolarHBondContact N-O 2.89Å; H30-S35 PolarHBondContact O-N 3.44Å; H30-E37 IonicContact CE1-OE2 3.99Å; H30-E37 IonicContact NE2-OE2 3.39Å; H30-E37 PolarHBondContact NE2-OE2 2.93Å
31T89.4Confident93.9Very high34 Ų3450 Ų5021%0.20924%0.24CC..THydrogen-bonded Turntrans-63-34.9-176.561.60000112.9D5 P6 Y8 Y29 I33D5-T31 WeakPolarHBondContact CA-OG1 3.36Å; P6-T31 WeakPolarHBondContact O-CG2 3.41Å; P6-T31 PolarHBondContact O-OG1 3.46Å; Y8-T31 HydrophobicContact CD2-CG2 3.91Å; Y8-T31 HydrophobicContact CE2-CG2 3.61Å; Y29-T31 HydrophobicContact CD1-CG2 4.14Å; Y29-T31 HydrophobicContact CE1-CG2 3.91Å; T31-I33 VanDerWaalsContact C-N 3.28Å; T31-I33 PolarHBondContact O-N 3.01Å
32K86.5Confident94Very high155 Ų15554.2 Ų54.267%0.67425%0.253SS*.THydrogen-bonded Turntrans-59.3-36.2-175.4-167.6173.4-179.8178.80113.7D5 H30D5-K32 HydrophobicContact CB-CB 3.67Å; D5-K32 HydrophobicContact CB-CD 4.43Å; D5-K32 HydrophobicContact CB-CG 4.18Å; H30-K32 VanDerWaalsContact C-N 3.28Å; H30-K32 PolarHBondContact O-N 3.24Å
33I86.2Confident94.2Very high109 Ų10952.6 Ų52.656%0.55925%0.248SC*.THydrogen-bonded Turntrans-120.7-1.2-171.7-44.6178.1000111H30 T31 S35H30-I33 PolarHBondContact O-N 3.47Å; T31-I33 VanDerWaalsContact C-N 3.28Å; T31-I33 PolarHBondContact O-N 3.01Å; I33-S35 PolarHBondContact O-N 2.65Å
34S87.2Confident94.1Very high41 Ų4153.9 Ų53.929%0.28726%0.261SS..THydrogen-bonded Turntrans4943.7-170.9-61.10000111.7Y29 H30Y29-S34 PolarHBondContact OH-OG 2.89Å; H30-S34 WeakPolarHBondContact O-CA 3.47Å; H30-S34 PolarHBondContact O-N 3.27Å
35S93.3Very high94Very high7 Ų756.9 Ų56.95%0.04927%0.272CS..EExtended strand (participates in β ladder)trans-108.7155.6177.460.70000111.1H30 I33 T51H30-S35 PolarHBondContact CD2-OG 3.29Å; H30-S35 PolarHBondContact N-O 2.89Å; H30-S35 PolarHBondContact O-N 3.44Å; I33-S35 PolarHBondContact O-N 2.65Å; S35-T51 CarbonylContact C-O 3.56Å; S35-T51 VanDerWaalsContact CA-O 3.26Å; S35-T51 WeakPolarHBondContact CA-O 3.12Å; S35-T51 WeakPolarHBondContact CB-O 3.38Å
36V96Very high93.9Very high0 Ų060.9 Ų60.90%029%0.293CS..EExtended strand (participates in β ladder)trans-118.1144.9173.8-63.60000111.1L27 I28 Y29 L48 P50 T51 I53 L56 F61 I69L27-V36 HydrophobicContact CD1-CB 3.86Å; L27-V36 HydrophobicContact CD1-CG1 4.19Å; I28-V36 CarbonylContact O-C 3.58Å; I28-V36 VanDerWaalsContact O-CA 3.24Å; I28-V36 WeakPolarHBondContact O-CA 3.43Å; Y29-V36 HydrophobicContact CD2-CG1 3.97Å; V36-L48 HydrophobicContact CG2-CD2 4.07Å; V36-P50 CarbonylContact O-C 3.56Å; V36-P50 VanDerWaalsContact O-CA 3.31Å; V36-P50 WeakPolarHBondContact O-CA 3.4Å; V36-T51 PolarHBondContact N-O 3.29Å; V36-T51 PolarHBondContact O-N 3.46Å; V36-I53 HydrophobicContact CG2-CD1 4.3Å; V36-I53 HydrophobicContact CG2-CG1 3.59Å; V36-L56 HydrophobicContact CG1-CD2 3.48Å; V36-L56 VanDerWaalsContact CG1-CD2 3.48Å; V36-F61 HydrophobicContact CG1-CZ 4.28Å; V36-I69 HydrophobicContact CG1-CD1 4.25Å; V36-I69 HydrophobicContact CG2-CD1 4.19Å; V36-I69 HydrophobicContact CG2-CG2 3.78Å
37E95.8Very high93.7Very high36 Ų3662.3 Ų62.317%0.16830%0.298CS..EExtended strand (participates in β ladder)trans-125.9143.8172.3171.1170.7-144.600108.3L27 I28 H30 H39 L46 L48 P50L27-E37 CarbonylContact C-O 3.58Å; L27-E37 WeakPolarHBondContact CA-O 3.06Å; I28-E37 HydrophobicContact CB-CB 4.26Å; I28-E37 PolarHBondContact N-O 3.16Å; I28-E37 PolarHBondContact O-N 3.03Å; H30-E37 IonicContact CE1-OE2 3.99Å; H30-E37 IonicContact NE2-OE2 3.39Å; H30-E37 PolarHBondContact NE2-OE2 2.93Å; E37-H39 VanDerWaalsContact CD-NE2 3.29Å; E37-H39 WeakPolarHBondContact CG-NE2 3.45Å; E37-H39 IonicContact OE1-CE1 2.93Å; E37-H39 IonicContact OE1-NE2 3.2Å; E37-H39 PolarHBondContact OE1-NE2 3.24Å; E37-H39 VanDerWaalsContact OE1-NE2 3.09Å; E37-L46 HydrophobicContact CG-CD1 4Å; E37-L46 WeakPolarHBondContact OE1-CD1 3.26Å; E37-L48 WeakPolarHBondContact CA-O 3.26Å; E37-P50 HydrophobicContact CB-CG 4.11Å; E37-P50 HydrophobicContact CG-CG 4.34Å
38M97.2Very high93.6Very high2 Ų263.6 Ų63.61%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-129.5133.9178-63.8175.659.900111.8F25 L26 L27 F47 L48 L74F25-M38 HydrophobicContact CB-CE 3.67Å; F25-M38 HydrophobicContact CD1-CE 3.9Å; F25-M38 HydrophobicContact CD2-CE 3.78Å; F25-M38 HydrophobicContact CE1-CE 4.49Å; F25-M38 HydrophobicContact CE2-CE 4.4Å; F25-M38 HydrophobicContact CG-CE 3.5Å; F25-M38 VanDerWaalsContact CG-CE 3.5Å; L26-M38 VanDerWaalsContact O-CA 3.3Å; L26-M38 WeakPolarHBondContact O-CA 3.47Å; L27-M38 HydrophobicContact CD1-CG 3.46Å; L27-M38 VanDerWaalsContact CD1-CG 3.46Å; L27-M38 HydrophobicContact CD1-SD 4.17Å; M38-F47 HydrophobicContact CB-CB 4.3Å; M38-F47 HydrophobicContact CB-CD1 4.25Å; M38-F47 HydrophobicContact CE-CD1 4Å; M38-F47 HydrophobicContact CE-CE1 4.27Å; M38-F47 WeakPolarHBondContact O-CA 3.43Å; M38-F47 WeakPolarHBondContact O-CB 3.41Å; M38-F47 PolarHBondContact O-N 2.83Å; M38-F47 HydrophobicContact SD-CD1 4.33Å; M38-L48 HydrophobicContact CB-CB 3.8Å; M38-L48 HydrophobicContact CG-CB 4.11Å; M38-L48 HydrophobicContact CG-CD2 4.32Å; M38-L48 PolarHBondContact N-O 2.98Å; M38-L48 PolarHBondContact O-N 3.31Å; M38-L48 HydrophobicContact SD-CB 4.32Å; M38-L48 HydrophobicContact SD-CD2 4.11Å; M38-L74 HydrophobicContact CE-CD1 3.76Å; M38-L74 HydrophobicContact CE-CD2 4.09Å; M38-L74 HydrophobicContact SD-CD1 3.63Å
39H97.4Very high93.6Very high28 Ų2869 Ų6913%0.1333%0.327CS..EExtended strand (participates in β ladder)trans-120.2145.1171.4-65.8-108.4000110.1F25 L26 E37 E41 N44 R45F25-H39 CarbonylContact C-O 3.6Å; F25-H39 WeakPolarHBondContact CA-O 3.45Å; F25-H39 VanDerWaalsContact CB-O 3.31Å; F25-H39 WeakPolarHBondContact CB-O 3.24Å; L26-H39 HydrophobicContact CB-CB 4.43Å; L26-H39 PolarHBondContact N-O 3.38Å; L26-H39 PolarHBondContact O-N 3.02Å; E37-H39 VanDerWaalsContact CD-NE2 3.29Å; E37-H39 WeakPolarHBondContact CG-NE2 3.45Å; E37-H39 IonicContact OE1-CE1 2.93Å; E37-H39 IonicContact OE1-NE2 3.2Å; E37-H39 PolarHBondContact OE1-NE2 3.24Å; E37-H39 VanDerWaalsContact OE1-NE2 3.09Å; H39-E41 PolarHBondContact O-N 3.41Å; H39-N44 PolarHBondContact ND1-O 3.34Å; H39-N44 VanDerWaalsContact ND1-O 3.07Å; H39-N44 PolarHBondContact ND1-OD1 3.49Å; H39-R45 CarbonylContact C-O 3.59Å; H39-R45 WeakPolarHBondContact CA-O 3.41Å
40E95.8Very high93.5Very high51 Ų5172.1 Ų72.124%0.23835%0.349CS..EExtended strand (participates in β ladder)trans-62.5129.2167.9-68.4-170.8159.800110.2R23 F25 K42 T43 N44 R45R23-E40 IonicContact NH2-OE1 2.95Å; R23-E40 PolarHBondContact NH2-OE1 3.28Å; F25-E40 HydrophobicContact CD1-CG 4.26Å; F25-E40 HydrophobicContact CE1-CG 3.92Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.16Å; E40-T43 WeakPolarHBondContact CB-OG1 3.12Å; E40-T43 PolarHBondContact OE2-OG1 3.18Å; E40-N44 WeakPolarHBondContact O-CA 3.3Å; E40-N44 PolarHBondContact O-N 2.75Å; E40-R45 PolarHBondContact N-O 2.65Å
41E94.8Very high93.5Very high65 Ų6572.5 Ų72.530%0.30435%0.353SS..THydrogen-bonded Turntrans-56.4-46.5-175.1179.7-163.7-156.300112.4L11 R24 H39L11-E41 HydrophobicContact CD1-CB 4.27Å; L11-E41 HydrophobicContact CD1-CG 3.84Å; L11-E41 WeakPolarHBondContact CD1-OE1 3.24Å; R24-E41 HydrophobicContact CB-CB 3.96Å; R24-E41 HydrophobicContact CB-CG 4.5Å; R24-E41 WeakPolarHBondContact CB-OE2 3.15Å; R24-E41 WeakPolarHBondContact CD-OE2 3.47Å; R24-E41 PolarHBondContact O-N 3.02Å; H39-E41 PolarHBondContact O-N 3.41Å
42K93Very high93.7Very high194 Ų19479.7 Ų79.784%0.84338%0.377SS*.THydrogen-bonded Turntrans-79-35.7-171.9-65.9-177.4179178.90114E40E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 3.16Å
43T94.1Very high93.8Very high72 Ų7273.4 Ų73.444%0.44235%0.35SS..THydrogen-bonded Turntrans-105.8-11.7-171.967.70000112.3E40 R45E40-T43 WeakPolarHBondContact CB-OG1 3.12Å; E40-T43 PolarHBondContact OE2-OG1 3.18Å; T43-R45 PolarHBondContact O-N 3.16Å; T43-R45 WeakPolarHBondContact OG1-CB 3.06Å; T43-R45 WeakPolarHBondContact OG1-CG 3.22Å; T43-R45 PolarHBondContact OG1-N 2.78Å
44N92.2Very high93.8Very high103 Ų10376.8 Ų76.855%0.55136%0.364SS*.  trans53.117-169.3-158.729.6000114.3H39 E40H39-N44 PolarHBondContact ND1-O 3.34Å; H39-N44 VanDerWaalsContact ND1-O 3.07Å; H39-N44 PolarHBondContact ND1-OD1 3.49Å; E40-N44 WeakPolarHBondContact O-CA 3.3Å; E40-N44 PolarHBondContact O-N 2.75Å
45R94.7Very high93.6Very high179 Ų17977.2 Ų77.268%0.67538%0.375SS*.  trans-68.6135178-72.8178178.9-172.20.2109.5H39 E40 T43 F47H39-R45 CarbonylContact C-O 3.59Å; H39-R45 WeakPolarHBondContact CA-O 3.41Å; E40-R45 PolarHBondContact N-O 2.65Å; T43-R45 PolarHBondContact O-N 3.16Å; T43-R45 WeakPolarHBondContact OG1-CB 3.06Å; T43-R45 WeakPolarHBondContact OG1-CG 3.22Å; T43-R45 PolarHBondContact OG1-N 2.78Å; R45-F47 PolarHBondContact O-N 3.03Å
46L95.7Very high93.3Very high84 Ų8477.6 Ų77.644%0.4438%0.376SS..EExtended strand (participates in β ladder)trans-61.9121.3176.3-174.166.5000110E37 L48 K49E37-L46 HydrophobicContact CG-CD1 4Å; E37-L46 WeakPolarHBondContact OE1-CD1 3.26Å; L46-L48 WeakPolarHBondContact CD1-O 3.39Å; L46-K49 HydrophobicContact CD2-CG 3.63Å; L46-K49 HydrophobicContact CG-CG 4.44Å
47F94.6Very high92.9Very high68 Ų6881.8 Ų81.830%0.29840%0.395SS..EExtended strand (participates in β ladder)trans-103.2-43.4177.8-177.9-96.7000111.4W14 F25 M38 R45W14-F47 HydrophobicContact CZ3-CZ 4.14Å; F25-F47 HydrophobicContact CD1-CB 4.07Å; F25-F47 HydrophobicContact CD1-CD1 4.23Å; F25-F47 HydrophobicContact CD1-CD2 4.49Å; F25-F47 HydrophobicContact CD1-CG 4.01Å; F25-F47 HydrophobicContact CE1-CB 3.94Å; F25-F47 AromaticContact CE1-CD1 3.85Å; F25-F47 HydrophobicContact CE1-CD1 3.85Å; F25-F47 AromaticContact CE1-CD2 3.56Å; F25-F47 HydrophobicContact CE1-CD2 3.56Å; F25-F47 HydrophobicContact CE1-CE1 4.22Å; F25-F47 AromaticContact CE1-CE2 3.96Å; F25-F47 HydrophobicContact CE1-CE2 3.96Å; F25-F47 AromaticContact CE1-CG 3.49Å; F25-F47 HydrophobicContact CE1-CG 3.49Å; F25-F47 VanDerWaalsContact CE1-CG 3.49Å; F25-F47 HydrophobicContact CE1-CZ 4.27Å; F25-F47 HydrophobicContact CZ-CD1 4.43Å; F25-F47 HydrophobicContact CZ-CD2 4.17Å; F25-F47 HydrophobicContact CZ-CE1 4.36Å; F25-F47 HydrophobicContact CZ-CE2 4.1Å; F25-F47 HydrophobicContact CZ-CG 4.33Å; F25-F47 HydrophobicContact CZ-CZ 4.19Å; M38-F47 HydrophobicContact CB-CB 4.3Å; M38-F47 HydrophobicContact CB-CD1 4.25Å; M38-F47 HydrophobicContact CE-CD1 4Å; M38-F47 HydrophobicContact CE-CE1 4.27Å; M38-F47 WeakPolarHBondContact O-CA 3.43Å; M38-F47 WeakPolarHBondContact O-CB 3.41Å; M38-F47 PolarHBondContact O-N 2.83Å; M38-F47 HydrophobicContact SD-CD1 4.33Å; R45-F47 PolarHBondContact O-N 3.03Å
48L95.3Very high92.5Very high26 Ų2682.5 Ų82.514%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-131.8119.1176-178.961.8000109.1V36 E37 M38 L46 I69 L70V36-L48 HydrophobicContact CG2-CD2 4.07Å; E37-L48 WeakPolarHBondContact CA-O 3.26Å; M38-L48 HydrophobicContact CB-CB 3.8Å; M38-L48 HydrophobicContact CG-CB 4.11Å; M38-L48 HydrophobicContact CG-CD2 4.32Å; M38-L48 PolarHBondContact N-O 2.98Å; M38-L48 PolarHBondContact O-N 3.31Å; M38-L48 HydrophobicContact SD-CB 4.32Å; M38-L48 HydrophobicContact SD-CD2 4.11Å; L46-L48 WeakPolarHBondContact CD1-O 3.39Å; L48-I69 HydrophobicContact CD2-CG2 3.65Å; L48-L70 HydrophobicContact CD1-CD1 3.78Å; L48-L70 HydrophobicContact CD2-CD1 4.37Å
49K95.2Very high91.9Very high149 Ų14984.1 Ų84.165%0.64841%0.411SS*.EExtended strand (participates in β ladder)trans-60.9154.6170.9-73.9177-179.2-174.10110.3L46 T51L46-K49 HydrophobicContact CD2-CG 3.63Å; L46-K49 HydrophobicContact CG-CG 4.44Å; K49-T51 WeakPolarHBondContact O-CB 3.41Å; K49-T51 PolarHBondContact O-N 3.21Å; K49-T51 PolarHBondContact O-OG1 3.22Å
50P94.1Very high91.4Very high75 Ų7584 Ų8449%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-45.2108.4172.8-29.434.2000112V36 E37V36-P50 CarbonylContact O-C 3.56Å; V36-P50 VanDerWaalsContact O-CA 3.31Å; V36-P50 WeakPolarHBondContact O-CA 3.4Å; E37-P50 HydrophobicContact CB-CG 4.11Å; E37-P50 HydrophobicContact CG-CG 4.34Å
51T95.1Very high91.1Very high45 Ų4581.6 Ų81.628%0.27640%0.4SS..EExtended strand (participates in β ladder)trans-128.8128.5-173.2-60.40000108.7S35 V36 K49 I53S35-T51 CarbonylContact C-O 3.56Å; S35-T51 VanDerWaalsContact CA-O 3.26Å; S35-T51 WeakPolarHBondContact CA-O 3.12Å; S35-T51 WeakPolarHBondContact CB-O 3.38Å; V36-T51 PolarHBondContact N-O 3.29Å; V36-T51 PolarHBondContact O-N 3.46Å; K49-T51 WeakPolarHBondContact O-CB 3.41Å; K49-T51 PolarHBondContact O-N 3.21Å; K49-T51 PolarHBondContact O-OG1 3.22Å; T51-I53 HydrophobicContact CG2-CD1 4.18Å
52R92.6Very high90.8Very high184 Ų18480.7 Ų80.769%0.69439%0.394SS*.EExtended strand (participates in β ladder)trans-72.5130.4176.1-170.9176.6-177.4-169.1-0.6109.6
53I90.2Very high90.6Very high23 Ų2375.2 Ų75.212%0.11837%0.373CS..  trans-115.2117.9176.4-55-63.7000107.7V36 T51 G55 L56 I69 L70V36-I53 HydrophobicContact CG2-CD1 4.3Å; V36-I53 HydrophobicContact CG2-CG1 3.59Å; T51-I53 HydrophobicContact CG2-CD1 4.18Å; I53-G55 PolarHBondContact O-N 2.79Å; I53-L56 HydrophobicContact CB-CB 4.06Å; I53-L56 HydrophobicContact CB-CD2 3.98Å; I53-L56 HydrophobicContact CG1-CD2 4.39Å; I53-L56 HydrophobicContact CG2-CB 4Å; I53-L56 HydrophobicContact CG2-CD2 4.25Å; I53-L56 PolarHBondContact O-N 2.8Å; I53-I69 HydrophobicContact CD1-CG2 4.02Å; I53-I69 HydrophobicContact CG1-CD1 4.15Å; I53-I69 HydrophobicContact CG1-CG2 4.25Å; I53-I69 HydrophobicContact CG2-CD1 4.41Å; I53-L70 HydrophobicContact CD1-CD2 4.13Å; I53-L70 HydrophobicContact CD1-CG 4.23Å
54E85.3Confident90.1Very high180 Ų18074 Ų7484%0.84138%0.375SS*.THydrogen-bonded Turntrans-64.9135-177.5-67.5-173.5170.500111.7L56E54-L56 PolarHBondContact O-N 3.01Å
55G82.9Confident90Very high51 Ų5169.1 Ų69.153%0.52635%0.349SS..THydrogen-bonded Turntrans72.14.3177.300000115.8I53I53-G55 PolarHBondContact O-N 2.79Å
56L87.6Confident89.8Confident15 Ų1562 Ų628%0.07933%0.325CS..  trans-81.4127.3173.7-171.268.2000110.2Y29 V36 I53 E54 D60 F61 V67 I69Y29-L56 HydrophobicContact CD2-CD2 4.42Å; Y29-L56 HydrophobicContact CE2-CD2 4.45Å; V36-L56 HydrophobicContact CG1-CD2 3.48Å; V36-L56 VanDerWaalsContact CG1-CD2 3.48Å; I53-L56 HydrophobicContact CB-CB 4.06Å; I53-L56 HydrophobicContact CB-CD2 3.98Å; I53-L56 HydrophobicContact CG1-CD2 4.39Å; I53-L56 HydrophobicContact CG2-CB 4Å; I53-L56 HydrophobicContact CG2-CD2 4.25Å; I53-L56 PolarHBondContact O-N 2.8Å; E54-L56 PolarHBondContact O-N 3.01Å; L56-D60 HydrophobicContact CD1-CB 4.32Å; L56-F61 HydrophobicContact CD1-CE2 4.13Å; L56-F61 HydrophobicContact CD1-CZ 4.27Å; L56-F61 HydrophobicContact CD2-CE2 4.14Å; L56-F61 HydrophobicContact CD2-CZ 3.78Å; L56-F61 HydrophobicContact CG-CE2 3.89Å; L56-F61 HydrophobicContact CG-CZ 4.04Å; L56-V67 HydrophobicContact CD1-CB 4.22Å; L56-V67 HydrophobicContact CD1-CG1 4.11Å; L56-I69 HydrophobicContact CD1-CD1 4.42Å; L56-I69 HydrophobicContact CD2-CD1 3.55Å
57K87.9Confident89.6Confident88 Ų8858.2 Ų58.238%0.38331%0.306SS..  trans-124.1160.2-174.8-62.9170.6-177.9173.70111S59 D60 F61 D240K57-S59 WeakPolarHBondContact CB-OG 3.37Å; K57-S59 PolarHBondContact O-N 2.87Å; K57-D60 PolarHBondContact N-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CB 3.5Å; K57-D60 PolarHBondContact O-N 2.73Å; K57-D60 VanDerWaalsContact O-N 3.1Å; K57-F61 WeakPolarHBondContact O-CD2 3.19Å; K57-F61 WeakPolarHBondContact O-CE2 3.32Å; K57-D240 WeakPolarHBondContact CD-OD1 3.46Å; K57-D240 IonicContact NZ-OD1 3.72Å; K57-D240 PolarHBondContact NZ-OD1 3.33Å; K57-D240 IonicContact NZ-OD2 3.81Å; K57-D240 PolarHBondContact NZ-OD2 2.86Å
58L87.8Confident89.4Confident50 Ų5057.8 Ų57.826%0.26231%0.309SS..G310 helixtrans-60.8-30.7175.5-174.162.3000112.5Y8 Y29 D60 F61 F88Y8-L58 HydrophobicContact CD2-CD1 3.47Å; Y8-L58 VanDerWaalsContact CD2-CD1 3.47Å; Y8-L58 HydrophobicContact CD2-CD2 4.42Å; Y8-L58 HydrophobicContact CE2-CD1 3.66Å; Y8-L58 HydrophobicContact CE2-CD2 3.73Å; Y8-L58 HydrophobicContact CE2-CG 4.38Å; Y8-L58 HydrophobicContact CG-CD1 4.42Å; Y29-L58 HydrophobicContact CD1-CD1 3.88Å; Y29-L58 HydrophobicContact CE1-CB 4.02Å; Y29-L58 HydrophobicContact CE1-CD1 4.05Å; L58-D60 PolarHBondContact O-N 2.83Å; L58-F61 PolarHBondContact O-N 3.5Å; L58-F61 VanDerWaalsContact O-N 3.08Å; L58-F88 HydrophobicContact CD1-CZ 3.95Å
59S83.2Confident89.2Confident37 Ų3756.7 Ų56.726%0.25930%0.303SS..G310 helixtrans-61-25.9176.446.40000113.3K57 F61 Y62 S239K57-S59 WeakPolarHBondContact CB-OG 3.37Å; K57-S59 PolarHBondContact O-N 2.87Å; S59-F61 PolarHBondContact O-N 3.24Å; S59-Y62 VanDerWaalsContact O-CD1 3.31Å; S59-Y62 WeakPolarHBondContact O-CD1 3.18Å; S59-S239 PolarHBondContact O-OG 2.86Å
60D86.5Confident89Confident25 Ų2553.8 Ų53.813%0.13429%0.294CS..G310 helixtrans-73.6-15.4177.8-56.7-38.5000112.5L56 K57 L58 S65 V67 S239L56-D60 HydrophobicContact CD1-CB 4.32Å; K57-D60 PolarHBondContact N-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CB 3.5Å; K57-D60 PolarHBondContact O-N 2.73Å; K57-D60 VanDerWaalsContact O-N 3.1Å; L58-D60 PolarHBondContact O-N 2.83Å; D60-S65 WeakPolarHBondContact O-CB 3.44Å; D60-S65 PolarHBondContact O-OG 3.5Å; D60-V67 HydrophobicContact CB-CG1 4.08Å; D60-S239 PolarHBondContact OD1-OG 3.37Å
61F89.9Confident88.5Confident0 Ų055.7 Ų55.70%031%0.31CS..  trans-95.9102.2-178.1-62.9-99.3000111.4F10 L27 Y29 V36 L56 K57 L58 S59 I76 F88F10-F61 AromaticContact CD2-CD1 3.59Å; F10-F61 HydrophobicContact CD2-CD1 3.59Å; F10-F61 HydrophobicContact CD2-CE1 4.23Å; F10-F61 HydrophobicContact CD2-CG 4.38Å; F10-F61 HydrophobicContact CE1-CB 4.09Å; F10-F61 HydrophobicContact CE2-CB 3.81Å; F10-F61 AromaticContact CE2-CD1 3.5Å; F10-F61 HydrophobicContact CE2-CD1 3.5Å; F10-F61 HydrophobicContact CE2-CE1 4.31Å; F10-F61 AromaticContact CE2-CG 3.86Å; F10-F61 HydrophobicContact CE2-CG 3.86Å; F10-F61 HydrophobicContact CG-CD1 4.29Å; F10-F61 HydrophobicContact CZ-CB 3.57Å; F10-F61 HydrophobicContact CZ-CD1 4.16Å; F10-F61 HydrophobicContact CZ-CG 4.16Å; L27-F61 HydrophobicContact CD2-CE1 3.74Å; L27-F61 HydrophobicContact CG-CE1 4.33Å; Y29-F61 HydrophobicContact CD1-CD2 4.49Å; Y29-F61 HydrophobicContact CD1-CE2 4.15Å; Y29-F61 HydrophobicContact CD2-CE1 4.48Å; Y29-F61 AromaticContact CD2-CE2 3.52Å; Y29-F61 HydrophobicContact CD2-CE2 3.52Å; Y29-F61 AromaticContact CD2-CZ 3.47Å; Y29-F61 HydrophobicContact CD2-CZ 3.47Å; Y29-F61 VanDerWaalsContact CD2-CZ 3.47Å; Y29-F61 HydrophobicContact CE1-CE2 4.49Å; Y29-F61 AromaticContact CE2-CE2 3.91Å; Y29-F61 HydrophobicContact CE2-CE2 3.91Å; Y29-F61 HydrophobicContact CE2-CZ 4.25Å; Y29-F61 HydrophobicContact CG-CD2 4.32Å; Y29-F61 HydrophobicContact CG-CE1 4.31Å; Y29-F61 AromaticContact CG-CE2 3.65Å; Y29-F61 HydrophobicContact CG-CE2 3.65Å; Y29-F61 AromaticContact CG-CZ 3.64Å; Y29-F61 HydrophobicContact CG-CZ 3.64Å; V36-F61 HydrophobicContact CG1-CZ 4.28Å; L56-F61 HydrophobicContact CD1-CE2 4.13Å; L56-F61 HydrophobicContact CD1-CZ 4.27Å; L56-F61 HydrophobicContact CD2-CE2 4.14Å; L56-F61 HydrophobicContact CD2-CZ 3.78Å; L56-F61 HydrophobicContact CG-CE2 3.89Å; L56-F61 HydrophobicContact CG-CZ 4.04Å; K57-F61 WeakPolarHBondContact O-CD2 3.19Å; K57-F61 WeakPolarHBondContact O-CE2 3.32Å; L58-F61 PolarHBondContact O-N 3.5Å; L58-F61 VanDerWaalsContact O-N 3.08Å; S59-F61 PolarHBondContact O-N 3.24Å; F61-I76 HydrophobicContact CB-CD1 3.93Å; F61-I76 HydrophobicContact CD1-CD1 3.65Å; F61-I76 HydrophobicContact CG-CD1 4.11Å; F61-F88 VanDerWaalsContact O-CE1 3.25Å; F61-F88 WeakPolarHBondContact O-CE1 3.47Å
62Y88.1Confident88.3Confident47 Ų4757.3 Ų57.318%0.18431%0.311CS..SBendtrans-153.6157.1169.853.5-85.4000109.4S59 G64 S65 I76 G294 P295S59-Y62 VanDerWaalsContact O-CD1 3.31Å; S59-Y62 WeakPolarHBondContact O-CD1 3.18Å; Y62-G64 PolarHBondContact O-N 2.96Å; Y62-S65 VanDerWaalsContact CE2-CB 3.41Å; Y62-S65 WeakPolarHBondContact O-CB 3.22Å; Y62-S65 PolarHBondContact O-N 3.39Å; Y62-S65 PolarHBondContact O-OG 3.3Å; Y62-S65 VanDerWaalsContact O-OG 3.07Å; Y62-I76 WeakPolarHBondContact O-CB 3.08Å; Y62-G294 WeakPolarHBondContact OH-CA 3.36Å; Y62-P295 WeakPolarHBondContact OH-CD 3.25Å
63L89.1Confident88.2Confident78 Ų7850 Ų5041%0.40829%0.287SS..THydrogen-bonded Turntrans-57.3129.7-179.4-60.3-176.4000111S65 I76 Y79L63-S65 VanDerWaalsContact C-N 3.35Å; L63-I76 HydrophobicContact CD2-CG2 4.07Å; L63-Y79 HydrophobicContact CD1-CE2 3.76Å; L63-Y79 HydrophobicContact CD2-CD1 4.45Å; L63-Y79 HydrophobicContact CD2-CD2 4.49Å; L63-Y79 HydrophobicContact CD2-CE1 4.19Å; L63-Y79 HydrophobicContact CD2-CE2 4.25Å; L63-Y79 HydrophobicContact CG-CE1 4.34Å; L63-Y79 HydrophobicContact CG-CE2 4.16Å
64G85Confident88.4Confident46 Ų4648.9 Ų48.947%0.47428%0.282SS..THydrogen-bonded Turntrans87.7-12.2-177.400000115.3Y62 I76Y62-G64 PolarHBondContact O-N 2.96Å; G64-I76 WeakPolarHBondContact CA-O 3.45Å; G64-I76 PolarHBondContact N-O 3.38Å
65S89.3Confident88.8Confident1 Ų145.3 Ų45.31%0.00726%0.264CS..  trans-69.9159174.583.70000111.5D60 Y62 L63 K75 I76D60-S65 WeakPolarHBondContact O-CB 3.44Å; D60-S65 PolarHBondContact O-OG 3.5Å; Y62-S65 VanDerWaalsContact CE2-CB 3.41Å; Y62-S65 WeakPolarHBondContact O-CB 3.22Å; Y62-S65 PolarHBondContact O-N 3.39Å; Y62-S65 PolarHBondContact O-OG 3.3Å; Y62-S65 VanDerWaalsContact O-OG 3.07Å; L63-S65 VanDerWaalsContact C-N 3.35Å; S65-K75 CarbonylContact O-C 3.52Å; S65-K75 WeakPolarHBondContact O-CA 3.37Å; S65-I76 PolarHBondContact O-N 3.22Å; S65-I76 WeakPolarHBondContact OG-CD1 3.27Å
66T91.2Very high89.4Confident29 Ų2942.9 Ų42.918%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-118.2127.2170.2-560000109.4L74 S293T66-L74 CarbonylContact C-O 3.52Å; T66-L74 VanDerWaalsContact CA-O 3.28Å; T66-L74 WeakPolarHBondContact CA-O 3.29Å; T66-S293 PolarHBondContact N-O 3.48Å; T66-S293 WeakPolarHBondContact O-CB 3.5Å
67V91.8Very high89.8Confident5 Ų544.4 Ų44.43%0.0325%0.248CC..EExtended strand (participates in β ladder)trans-109.5133.8175.5-67.80000109.7L27 L56 D60 I69 L74 I76L27-V67 HydrophobicContact CD2-CG2 3.72Å; L56-V67 HydrophobicContact CD1-CB 4.22Å; L56-V67 HydrophobicContact CD1-CG1 4.11Å; D60-V67 HydrophobicContact CB-CG1 4.08Å; V67-I69 HydrophobicContact CG2-CD1 4.49Å; V67-I69 HydrophobicContact CG2-CG1 4.36Å; V67-L74 HydrophobicContact CG2-CB 4.09Å; V67-L74 PolarHBondContact N-O 3.34Å; V67-L74 PolarHBondContact O-N 3.45Å; V67-I76 HydrophobicContact CG1-CD1 4.42Å
68T89.3Confident90.1Very high60 Ų6043.8 Ų43.837%0.36825%0.249SC..EExtended strand (participates in β ladder)trans-94.4114.6179-53.80000110.3R72T68-R72 CarbonylContact C-O 3.55Å; T68-R72 VanDerWaalsContact CA-O 3.3Å; T68-R72 WeakPolarHBondContact CA-O 3.36Å
69I92Very high90.5Very high2 Ų243 Ų431%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-120.4113.1-179.7-50.9-58.8000109.1V36 L48 I53 L56 V67 S71 R72 L74V36-I69 HydrophobicContact CG1-CD1 4.25Å; V36-I69 HydrophobicContact CG2-CD1 4.19Å; V36-I69 HydrophobicContact CG2-CG2 3.78Å; L48-I69 HydrophobicContact CD2-CG2 3.65Å; I53-I69 HydrophobicContact CD1-CG2 4.02Å; I53-I69 HydrophobicContact CG1-CD1 4.15Å; I53-I69 HydrophobicContact CG1-CG2 4.25Å; I53-I69 HydrophobicContact CG2-CD1 4.41Å; L56-I69 HydrophobicContact CD1-CD1 4.42Å; L56-I69 HydrophobicContact CD2-CD1 3.55Å; V67-I69 HydrophobicContact CG2-CD1 4.49Å; V67-I69 HydrophobicContact CG2-CG1 4.36Å; I69-S71 PolarHBondContact O-N 3.22Å; I69-R72 PolarHBondContact N-O 3.42Å; I69-R72 VanDerWaalsContact O-CB 3.32Å; I69-R72 WeakPolarHBondContact O-CB 3.35Å; I69-R72 PolarHBondContact O-N 3.03Å; I69-L74 HydrophobicContact CB-CD1 3.96Å; I69-L74 HydrophobicContact CG1-CD1 3.63Å; I69-L74 HydrophobicContact CG1-CG 4.48Å
70L89.5Confident91.1Very high88 Ų8842.5 Ų42.546%0.46124%0.244SC..THydrogen-bonded Turntrans46.955.4-179.1-56.7178.7000112.4L48 I53 R72L48-L70 HydrophobicContact CD1-CD1 3.78Å; L48-L70 HydrophobicContact CD2-CD1 4.37Å; I53-L70 HydrophobicContact CD1-CD2 4.13Å; I53-L70 HydrophobicContact CD1-CG 4.23Å; L70-R72 PolarHBondContact O-N 3.21Å; L70-R72 PolarHBondContact O-NH1 2.96Å
71S84.5Confident91.5Very high116 Ų11644.3 Ų44.381%0.81125%0.253SS*.THydrogen-bonded Turntrans62.520.3-177.9-490000115.5I69I69-S71 PolarHBondContact O-N 3.22Å
72R89.8Confident91.7Very high78 Ų7849.9 Ų49.929%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-112.6120.5172-60.3174.3-177.675.1-1.1110W14 T68 I69 L70 L74W14-R72 HydrophobicContact CD2-CG 4.5Å; W14-R72 HydrophobicContact CZ2-CG 3.93Å; T68-R72 CarbonylContact C-O 3.55Å; T68-R72 VanDerWaalsContact CA-O 3.3Å; T68-R72 WeakPolarHBondContact CA-O 3.36Å; I69-R72 PolarHBondContact N-O 3.42Å; I69-R72 VanDerWaalsContact O-CB 3.32Å; I69-R72 WeakPolarHBondContact O-CB 3.35Å; I69-R72 PolarHBondContact O-N 3.03Å; L70-R72 PolarHBondContact O-N 3.21Å; L70-R72 PolarHBondContact O-NH1 2.96Å; R72-L74 HydrophobicContact CB-CD2 4.16Å; R72-L74 HydrophobicContact CB-CG 4.46Å; R72-L74 PolarHBondContact O-N 2.88Å
73S90.9Very high92Very high30 Ų3052 Ų5221%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-81.8107.7173.1-55.80000109D289S73-D289 PolarHBondContact OG-OD1 3.35Å; S73-D289 PolarHBondContact OG-OD2 3.46Å
74L94.3Very high92.2Very high0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-106115.1-176.4-55.6177.6000109.6V12 W14 L27 M38 T66 V67 I69 R72V12-L74 HydrophobicContact CB-CB 4.15Å; V12-L74 HydrophobicContact CG2-CB 4.22Å; V12-L74 HydrophobicContact CG2-CD1 4.29Å; V12-L74 HydrophobicContact CG2-CD2 4.48Å; W14-L74 HydrophobicContact CB-CD2 3.53Å; W14-L74 HydrophobicContact CG-CD2 3.8Å; L27-L74 HydrophobicContact CD1-CD1 4.42Å; L27-L74 HydrophobicContact CD2-CD1 4.3Å; M38-L74 HydrophobicContact CE-CD1 3.76Å; M38-L74 HydrophobicContact CE-CD2 4.09Å; M38-L74 HydrophobicContact SD-CD1 3.63Å; T66-L74 CarbonylContact C-O 3.52Å; T66-L74 VanDerWaalsContact CA-O 3.28Å; T66-L74 WeakPolarHBondContact CA-O 3.29Å; V67-L74 HydrophobicContact CG2-CB 4.09Å; V67-L74 PolarHBondContact N-O 3.34Å; V67-L74 PolarHBondContact O-N 3.45Å; I69-L74 HydrophobicContact CB-CD1 3.96Å; I69-L74 HydrophobicContact CG1-CD1 3.63Å; I69-L74 HydrophobicContact CG1-CG 4.48Å; R72-L74 HydrophobicContact CB-CD2 4.16Å; R72-L74 HydrophobicContact CB-CG 4.46Å; R72-L74 PolarHBondContact O-N 2.88Å
75K93.8Very high92.6Very high105 Ų10549.7 Ų49.746%0.45726%0.263SS..EExtended strand (participates in β ladder)trans-84.4125.6177.4-174.4177.8-178.4179.50110V12 E13 S65 V77V12-K75 CarbonylContact C-O 3.59Å; V12-K75 WeakPolarHBondContact CA-O 3.34Å; V12-K75 WeakPolarHBondContact CB-O 3.2Å; E13-K75 PolarHBondContact N-O 3.41Å; E13-K75 PolarHBondContact O-N 3.04Å; S65-K75 CarbonylContact O-C 3.52Å; S65-K75 WeakPolarHBondContact O-CA 3.37Å; K75-V77 HydrophobicContact CD-CG1 4.33Å; K75-V77 HydrophobicContact CG-CG1 4.15Å; K75-V77 PolarHBondContact O-N 2.91Å
76I95.6Very high92.6Very high0 Ų057.7 Ų57.70%029%0.294CS..EExtended strand (participates in β ladder)trans-76.9117.2174.2-57.7-177.3000108.7F10 V12 F61 Y62 L63 G64 S65 V67F10-I76 HydrophobicContact CB-CG2 4.16Å; F10-I76 HydrophobicContact CD1-CG2 3.93Å; F10-I76 HydrophobicContact CG-CG2 4.36Å; V12-I76 HydrophobicContact CG1-CG1 4Å; F61-I76 HydrophobicContact CB-CD1 3.93Å; F61-I76 HydrophobicContact CD1-CD1 3.65Å; F61-I76 HydrophobicContact CG-CD1 4.11Å; Y62-I76 WeakPolarHBondContact O-CB 3.08Å; L63-I76 HydrophobicContact CD2-CG2 4.07Å; G64-I76 WeakPolarHBondContact CA-O 3.45Å; G64-I76 PolarHBondContact N-O 3.38Å; S65-I76 PolarHBondContact O-N 3.22Å; S65-I76 WeakPolarHBondContact OG-CD1 3.27Å; V67-I76 HydrophobicContact CG1-CD1 4.42Å
77V95.5Very high92.5Very high47 Ų4759 Ų5929%0.28530%0.298SS..EExtended strand (participates in β ladder)trans-113.2-26.5-174.9-63.30000113.4L11 E13 K75L11-V77 HydrophobicContact CB-CG2 4.26Å; L11-V77 HydrophobicContact CD2-CG2 4.01Å; L11-V77 HydrophobicContact CG-CG2 3.78Å; L11-V77 WeakPolarHBondContact O-CG2 3.12Å; L11-V77 PolarHBondContact O-N 3.24Å; E13-V77 HydrophobicContact CB-CG1 4.15Å; E13-V77 HydrophobicContact CG-CG1 3.97Å; E13-V77 HydrophobicContact CG-CG2 3.99Å; K75-V77 HydrophobicContact CD-CG1 4.33Å; K75-V77 HydrophobicContact CG-CG1 4.15Å; K75-V77 PolarHBondContact O-N 2.91Å
78D95.4Very high92.3Very high75 Ų7559.7 Ų59.740%0.40130%0.3SS..EExtended strand (participates in β ladder)trans-156.3176.7175.5-150.5-18.2000111.1L11L11-D78 HydrophobicContact CB-CB 3.91Å; L11-D78 HydrophobicContact CD2-CB 4Å; L11-D78 PolarHBondContact N-O 3.08Å; L11-D78 PolarHBondContact O-N 3.1Å
79Y96.1Very high92.1Very high34 Ų3461 Ų6113%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-84137.1167.7-54.1-68.8000110.2F10 L63 T84 K85 F88F10-Y79 HydrophobicContact CD1-CD1 4.16Å; F10-Y79 HydrophobicContact CE1-CD1 4.11Å; F10-Y79 HydrophobicContact CE1-CE1 4.24Å; L63-Y79 HydrophobicContact CD1-CE2 3.76Å; L63-Y79 HydrophobicContact CD2-CD1 4.45Å; L63-Y79 HydrophobicContact CD2-CD2 4.49Å; L63-Y79 HydrophobicContact CD2-CE1 4.19Å; L63-Y79 HydrophobicContact CD2-CE2 4.25Å; L63-Y79 HydrophobicContact CG-CE1 4.34Å; L63-Y79 HydrophobicContact CG-CE2 4.16Å; Y79-T84 HydrophobicContact CD1-CG2 3.9Å; Y79-K85 HydrophobicContact CD2-CB 3.82Å; Y79-K85 HydrophobicContact CD2-CD 4.41Å; Y79-K85 HydrophobicContact CD2-CG 3.71Å; Y79-K85 HydrophobicContact CE2-CG 4.31Å; Y79-K85 HydrophobicContact CG-CB 3.91Å; Y79-K85 HydrophobicContact CG-CG 4.32Å; Y79-F88 HydrophobicContact CD1-CB 4.36Å; Y79-F88 HydrophobicContact CE1-CB 3.43Å; Y79-F88 VanDerWaalsContact CE1-CB 3.43Å; Y79-F88 HydrophobicContact CE1-CD1 4.16Å; Y79-F88 HydrophobicContact CE1-CD2 4.26Å; Y79-F88 AromaticContact CE1-CG 3.69Å; Y79-F88 HydrophobicContact CE1-CG 3.69Å; Y79-F88 WeakPolarHBondContact OH-CB 3.5Å
80G95.1Very high91.4Very high27 Ų2764.2 Ų64.228%0.27833%0.327SS..SBendtrans-85.1-11.4-178.300000114.4C9C9-G80 PolarHBondContact O-N 3.01Å
81D95Very high91Very high62 Ų6264.9 Ų64.933%0.33232%0.324SS..SBendtrans-151.5164.3172.764.235.1000113C9 F83 T84 K85C9-D81 HydrophobicContact CB-CB 4.35Å; C9-D81 VanDerWaalsContact CB-OD2 3.24Å; C9-D81 WeakPolarHBondContact CB-OD2 3.05Å; D81-F83 VanDerWaalsContact C-N 3.29Å; D81-F83 PolarHBondContact O-N 3.17Å; D81-F83 PolarHBondContact OD1-N 3.46Å; D81-T84 WeakPolarHBondContact OD1-CA 3.45Å; D81-T84 WeakPolarHBondContact OD1-CB 3.29Å; D81-T84 PolarHBondContact OD1-N 3.4Å; D81-T84 PolarHBondContact OD1-OG1 2.78Å; D81-K85 WeakPolarHBondContact O-CB 3.46Å; D81-K85 PolarHBondContact O-N 3.45Å
82E94Very high90.9Very high117 Ų11761 Ų6155%0.54730%0.297SS..Hα-helixtrans-69.1-25.3-179.1-76.3-62.8137.400113.3K85 R86E82-K85 IonicContact OE1-NZ 3.73Å; E82-K85 PolarHBondContact OE1-NZ 2.83Å; E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 3.14Å
83F94.6Very high90.9Very high92 Ų9259.1 Ų59.140%0.40429%0.291SS..Hα-helixtrans-68.1-52.4176.9168.7-100.2000110.7P6 Y8 D81 K85 R86 E87P6-F83 HydrophobicContact CB-CE1 3.73Å; P6-F83 HydrophobicContact CB-CZ 3.73Å; Y8-F83 HydrophobicContact CD1-CE1 4.19Å; Y8-F83 HydrophobicContact CE1-CE1 4.08Å; D81-F83 VanDerWaalsContact C-N 3.29Å; D81-F83 PolarHBondContact O-N 3.17Å; D81-F83 PolarHBondContact OD1-N 3.46Å; F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.21Å; F83-R86 PolarHBondContact O-N 2.89Å; F83-E87 HydrophobicContact CE1-CG 4.27Å; F83-E87 HydrophobicContact CE2-CG 3.95Å; F83-E87 HydrophobicContact CZ-CG 3.82Å; F83-E87 PolarHBondContact O-N 2.98Å
84T94Very high90.9Very high0 Ų062.6 Ų62.60%030%0.3CS..Hα-helixtrans-60.7-46.5177.2-54.30000110Y8 C9 F10 Y79 D81 R86 E87 F88Y8-T84 WeakPolarHBondContact CA-OG1 3.45Å; Y8-T84 HydrophobicContact CD1-CG2 3.94Å; Y8-T84 HydrophobicContact CG-CG2 4.3Å; C9-T84 PolarHBondContact N-OG1 3.19Å; C9-T84 WeakPolarHBondContact O-CG2 3.44Å; F10-T84 HydrophobicContact CD1-CG2 4.43Å; F10-T84 HydrophobicContact CE1-CG2 3.92Å; F10-T84 HydrophobicContact CZ-CG2 3.98Å; Y79-T84 HydrophobicContact CD1-CG2 3.9Å; D81-T84 WeakPolarHBondContact OD1-CA 3.45Å; D81-T84 WeakPolarHBondContact OD1-CB 3.29Å; D81-T84 PolarHBondContact OD1-N 3.4Å; D81-T84 PolarHBondContact OD1-OG1 2.78Å; T84-R86 VanDerWaalsContact C-N 3.34Å; T84-R86 PolarHBondContact O-N 3.28Å; T84-E87 PolarHBondContact O-N 3.19Å; T84-F88 HydrophobicContact CG2-CD2 3.72Å; T84-F88 HydrophobicContact CG2-CE2 3.89Å; T84-F88 WeakPolarHBondContact O-CB 3.23Å; T84-F88 WeakPolarHBondContact O-CD2 3.39Å; T84-F88 PolarHBondContact O-N 2.76Å
85K92.7Very high90.9Very high75 Ų7562.6 Ų62.633%0.32630%0.3SS..Hα-helixtrans-54.6-48.9175.3-176.7172.4177.9-177.40111.8Y79 D81 E82 F83 F88 L89Y79-K85 HydrophobicContact CD2-CB 3.82Å; Y79-K85 HydrophobicContact CD2-CD 4.41Å; Y79-K85 HydrophobicContact CD2-CG 3.71Å; Y79-K85 HydrophobicContact CE2-CG 4.31Å; Y79-K85 HydrophobicContact CG-CB 3.91Å; Y79-K85 HydrophobicContact CG-CG 4.32Å; D81-K85 WeakPolarHBondContact O-CB 3.46Å; D81-K85 PolarHBondContact O-N 3.45Å; E82-K85 IonicContact OE1-NZ 3.73Å; E82-K85 PolarHBondContact OE1-NZ 2.83Å; F83-K85 VanDerWaalsContact C-N 3.34Å; F83-K85 PolarHBondContact O-N 3.21Å; K85-F88 PolarHBondContact O-N 3.5Å; K85-L89 HydrophobicContact CD-CD1 4.5Å; K85-L89 HydrophobicContact CG-CD1 3.64Å; K85-L89 HydrophobicContact CG-CG 4.19Å; K85-L89 WeakPolarHBondContact O-CB 3.44Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.46Å
86R89.8Confident90.9Very high170 Ų17057.7 Ų57.764%0.64228%0.278SS*.Hα-helixtrans-62.5-47179.2-172.5-177.1-55.9162.65.7112.4E82 F83 T84 F88 S90E82-R86 VanDerWaalsContact O-CB 3.27Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 3.14Å; F83-R86 PolarHBondContact O-N 2.89Å; T84-R86 VanDerWaalsContact C-N 3.34Å; T84-R86 PolarHBondContact O-N 3.28Å; R86-F88 PolarHBondContact O-N 2.91Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.77Å; R86-S90 PolarHBondContact O-OG 3.1Å
87E89.1Confident90.9Very high57 Ų5757.7 Ų57.727%0.26628%0.278SS..Hα-helixtrans-60.1-45.9178.9-79.5-64.2131.100111.5Y8 F83 T84 S90 R91Y8-E87 HydrophobicContact CE1-CB 4.01Å; Y8-E87 HydrophobicContact CE1-CG 4.17Å; F83-E87 HydrophobicContact CE1-CG 4.27Å; F83-E87 HydrophobicContact CE2-CG 3.95Å; F83-E87 HydrophobicContact CZ-CG 3.82Å; F83-E87 PolarHBondContact O-N 2.98Å; T84-E87 PolarHBondContact O-N 3.19Å; E87-S90 PolarHBondContact O-OG 2.86Å; E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 IonicContact OE2-CZ 2.71Å; E87-R91 IonicContact OE2-NH2 3.55Å; E87-R91 PolarHBondContact OE2-NH2 2.78Å
88F88Confident90.9Very high19 Ų1955.4 Ų55.48%0.08327%0.265CS..Hα-helixtrans-74.8-38.1-179.4-83.5-100.3000113.1Y8 F10 L58 F61 Y79 T84 K85 R86 S90 R91 S92Y8-F88 HydrophobicContact CD1-CD2 4.35Å; Y8-F88 AromaticContact CD1-CE2 3.74Å; Y8-F88 HydrophobicContact CD1-CE2 3.74Å; Y8-F88 HydrophobicContact CD2-CE2 4.37Å; Y8-F88 HydrophobicContact CE1-CE2 4.04Å; Y8-F88 AromaticContact CG-CE2 3.9Å; Y8-F88 HydrophobicContact CG-CE2 3.9Å; F10-F88 HydrophobicContact CE1-CD2 4.48Å; F10-F88 HydrophobicContact CE1-CE1 4.31Å; F10-F88 HydrophobicContact CE1-CE2 4.06Å; F10-F88 AromaticContact CE1-CZ 3.97Å; F10-F88 HydrophobicContact CE1-CZ 3.97Å; F10-F88 HydrophobicContact CZ-CD2 4.48Å; F10-F88 HydrophobicContact CZ-CE1 4.27Å; F10-F88 AromaticContact CZ-CE2 3.66Å; F10-F88 HydrophobicContact CZ-CE2 3.66Å; F10-F88 AromaticContact CZ-CZ 3.54Å; F10-F88 HydrophobicContact CZ-CZ 3.54Å; L58-F88 HydrophobicContact CD1-CZ 3.95Å; F61-F88 VanDerWaalsContact O-CE1 3.25Å; F61-F88 WeakPolarHBondContact O-CE1 3.47Å; Y79-F88 HydrophobicContact CD1-CB 4.36Å; Y79-F88 HydrophobicContact CE1-CB 3.43Å; Y79-F88 VanDerWaalsContact CE1-CB 3.43Å; Y79-F88 HydrophobicContact CE1-CD1 4.16Å; Y79-F88 HydrophobicContact CE1-CD2 4.26Å; Y79-F88 AromaticContact CE1-CG 3.69Å; Y79-F88 HydrophobicContact CE1-CG 3.69Å; Y79-F88 WeakPolarHBondContact OH-CB 3.5Å; T84-F88 HydrophobicContact CG2-CD2 3.72Å; T84-F88 HydrophobicContact CG2-CE2 3.89Å; T84-F88 WeakPolarHBondContact O-CB 3.23Å; T84-F88 WeakPolarHBondContact O-CD2 3.39Å; T84-F88 PolarHBondContact O-N 2.76Å; K85-F88 PolarHBondContact O-N 3.5Å; R86-F88 PolarHBondContact O-N 2.91Å; F88-S90 VanDerWaalsContact C-N 3.32Å; F88-S90 PolarHBondContact O-N 2.81Å; F88-R91 CarbonylContact O-C 3.55Å; F88-R91 PolarHBondContact O-N 2.73Å; F88-R91 VanDerWaalsContact O-N 3.11Å; F88-S92 WeakPolarHBondContact O-CB 3.38Å; F88-S92 PolarHBondContact O-N 2.97Å
89L84.1Confident91Very high88 Ų8851.9 Ų51.946%0.46125%0.245SC..Hα-helixtrans-64-37.5177.3-74.2178.8000111.9K85 R91 S92K85-L89 HydrophobicContact CD-CD1 4.5Å; K85-L89 HydrophobicContact CG-CD1 3.64Å; K85-L89 HydrophobicContact CG-CG 4.19Å; K85-L89 WeakPolarHBondContact O-CB 3.44Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.46Å; L89-R91 PolarHBondContact O-N 2.81Å; L89-R91 VanDerWaalsContact O-N 3.14Å; L89-S92 WeakPolarHBondContact CA-OG 3.22Å; L89-S92 WeakPolarHBondContact O-CB 3.22Å; L89-S92 PolarHBondContact O-N 2.89Å; L89-S92 VanDerWaalsContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.15Å
90S78.3Confident91Very high69 Ų6950.7 Ų50.748%0.48324%0.242SC..THydrogen-bonded Turntrans-61.6-20.317573.40000114.1R86 E87 F88R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.77Å; R86-S90 PolarHBondContact O-OG 3.1Å; E87-S90 PolarHBondContact O-OG 2.86Å; F88-S90 VanDerWaalsContact C-N 3.32Å; F88-S90 PolarHBondContact O-N 2.81Å
91R80.3Confident91Very high102 Ų10251.1 Ų51.139%0.38524%0.24SC..THydrogen-bonded Turntrans-107.911.3179.4-54.7177.8-163.5-165.26.4112.7E87 F88 L89E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 IonicContact OE2-CZ 2.71Å; E87-R91 IonicContact OE2-NH2 3.55Å; E87-R91 PolarHBondContact OE2-NH2 2.78Å; F88-R91 CarbonylContact O-C 3.55Å; F88-R91 PolarHBondContact O-N 2.73Å; F88-R91 VanDerWaalsContact O-N 3.11Å; L89-R91 PolarHBondContact O-N 2.81Å; L89-R91 VanDerWaalsContact O-N 3.14Å
92S82.4Confident91Very high35 Ų3551.7 Ų51.725%0.24525%0.254CS..  trans-103.83.6-170.174.20000114.4F88 L89 R94F88-S92 WeakPolarHBondContact O-CB 3.38Å; F88-S92 PolarHBondContact O-N 2.97Å; L89-S92 WeakPolarHBondContact CA-OG 3.22Å; L89-S92 WeakPolarHBondContact O-CB 3.22Å; L89-S92 PolarHBondContact O-N 2.89Å; L89-S92 VanDerWaalsContact O-N 3.09Å; L89-S92 PolarHBondContact O-OG 3.15Å; S92-R94 WeakPolarHBondContact O-CG 3.08Å; S92-R94 PolarHBondContact O-N 3.35Å
93E89.4Confident91.1Very high37 Ų3746.5 Ų46.517%0.17323%0.23CC..  trans-56.7138.4175-170.3-171.8147.800109.5M165 G166 N168 V169 C170 V200E93-M165 VanDerWaalsContact O-CA 3.24Å; E93-M165 WeakPolarHBondContact O-CA 3.05Å; E93-M165 WeakPolarHBondContact O-CG 3.27Å; E93-G166 WeakPolarHBondContact CB-O 3.27Å; E93-G166 PolarHBondContact O-N 3.03Å; E93-N168 WeakPolarHBondContact OE2-CA 3.47Å; E93-N168 PolarHBondContact OE2-N 2.9Å; E93-V169 HydrophobicContact CB-CG1 4Å; E93-V169 HydrophobicContact CG-CG1 3.86Å; E93-V169 WeakPolarHBondContact O-CG1 3.32Å; E93-V169 PolarHBondContact OE2-N 3.25Å; E93-C170 WeakPolarHBondContact OE1-CB 3.33Å; E93-C170 PolarHBondContact OE1-N 3.17Å; E93-C170 PolarHBondContact OE1-SG 2.94Å; E93-V200 HydrophobicContact CG-CB 4.39Å; E93-V200 HydrophobicContact CG-CG1 4.05Å; E93-V200 HydrophobicContact CG-CG2 3.44Å; E93-V200 VanDerWaalsContact CG-CG2 3.44Å; E93-V200 WeakPolarHBondContact OE1-CG2 3.34Å
94R91.2Very high91.2Very high104 Ų10443.1 Ų43.139%0.39222%0.217SC..EExtended strand (participates in β ladder)trans-124.9143-177.8-47.2-169.5-167177.3-2.5110.3S92 E163 V164 M165S92-R94 WeakPolarHBondContact O-CG 3.08Å; S92-R94 PolarHBondContact O-N 3.35Å; R94-E163 HydrophobicContact CB-CG 4.3Å; R94-E163 WeakPolarHBondContact CD-OE1 3.47Å; R94-E163 IonicContact CZ-OE1 2.69Å; R94-E163 IonicContact NE-OE1 3.48Å; R94-E163 IonicContact NH1-OE1 3.35Å; R94-E163 PolarHBondContact NH1-OE1 2.99Å; R94-V164 CarbonylContact C-O 3.01Å; R94-V164 WeakPolarHBondContact CA-O 3.12Å; R94-M165 HydrophobicContact CG-CB 4.33Å; R94-M165 HydrophobicContact CG-CE 3.92Å; R94-M165 HydrophobicContact CG-CG 4.43Å
95C93.8Very high91.2Very high0 Ų050.1 Ų50.10%025%0.247CC..EExtended strand (participates in β ladder)trans-136.5139.9179.7-175.40000109.6E163 V164 V169 C170 L173 M195C95-E163 WeakPolarHBondContact O-CA 3.36Å; C95-V164 HydrophobicContact CB-CG2 4.14Å; C95-V164 PolarHBondContact N-O 2.97Å; C95-V164 WeakPolarHBondContact O-CG2 3.44Å; C95-V164 PolarHBondContact O-N 3.08Å; C95-V169 HydrophobicContact CB-CG1 3.82Å; C95-V169 HydrophobicContact CB-CG2 4.2Å; C95-C170 HydrophobicContact CB-CB 4.49Å; C95-C170 VanDerWaalsContact CB-SG 3.59Å; C95-L173 HydrophobicContact CB-CD1 3.98Å; C95-M195 WeakPolarHBondContact SG-CE 3.33Å
96V93.8Very high91.4Very high1 Ų150.2 Ų50.21%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-93.1127.1169.41790000109.3F98 L162 S203 Q206 A207 I210 F211V96-F98 HydrophobicContact CG1-CD2 4.5Å; V96-F98 HydrophobicContact CG1-CE1 4.35Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CZ 3.66Å; V96-L162 CarbonylContact C-O 3.52Å; V96-L162 VanDerWaalsContact CA-O 3.32Å; V96-L162 WeakPolarHBondContact CA-O 3.21Å; V96-S203 WeakPolarHBondContact CG2-O 3.32Å; V96-S203 PolarHBondContact N-OG 3.04Å; V96-Q206 HydrophobicContact CB-CG 4.18Å; V96-Q206 HydrophobicContact CG1-CG 4.02Å; V96-Q206 HydrophobicContact CG2-CB 4.39Å; V96-Q206 HydrophobicContact CG2-CG 4.27Å; V96-A207 HydrophobicContact CG2-CB 3.66Å; V96-I210 HydrophobicContact CG1-CD1 4.02Å; V96-F211 HydrophobicContact CG2-CE2 4.4Å
97V96Very high91.8Very high0 Ų042.1 Ų42.10%022%0.215CC..EExtended strand (participates in β ladder)trans-132.5153.4176.269.50000109.5L162 V164 L173 I177 L193 F194 M195V97-L162 HydrophobicContact CG1-CB 3.86Å; V97-L162 HydrophobicContact CG1-CD1 4.31Å; V97-L162 PolarHBondContact N-O 3.48Å; V97-L162 PolarHBondContact O-N 3.02Å; V97-V164 HydrophobicContact CG1-CG1 4.27Å; V97-V164 HydrophobicContact CG1-CG2 4.45Å; V97-L173 HydrophobicContact CB-CD1 3.99Å; V97-L173 HydrophobicContact CG1-CD1 4.17Å; V97-L173 HydrophobicContact CG2-CD1 4.39Å; V97-I177 HydrophobicContact CG2-CD1 3.89Å; V97-L193 HydrophobicContact CG1-CD2 4.36Å; V97-L193 HydrophobicContact CG2-CB 3.96Å; V97-L193 HydrophobicContact CG2-CD1 4.37Å; V97-L193 HydrophobicContact CG2-CD2 3.81Å; V97-L193 HydrophobicContact CG2-CG 4.27Å; V97-F194 WeakPolarHBondContact CG2-O 3.34Å; V97-M195 HydrophobicContact CB-CG 4.26Å; V97-M195 HydrophobicContact CG2-CG 3.88Å
98F96.1Very high92.2Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-123.5139.4-177-59-91.4000110.9V96 F129 L137 L159 I160 A161 L193 F194 I196 Q206 I210V96-F98 HydrophobicContact CG1-CD2 4.5Å; V96-F98 HydrophobicContact CG1-CE1 4.35Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CZ 3.66Å; F98-F129 HydrophobicContact CE1-CE2 4.49Å; F98-F129 HydrophobicContact CE1-CZ 4.1Å; F98-L137 HydrophobicContact CE1-CD2 4.43Å; F98-L137 HydrophobicContact CZ-CD2 4.04Å; F98-L159 HydrophobicContact CD1-CD1 3.88Å; F98-I160 CarbonylContact C-O 3.52Å; F98-I160 VanDerWaalsContact CA-O 3.27Å; F98-I160 WeakPolarHBondContact CA-O 3.44Å; F98-A161 HydrophobicContact CD1-CB 3.74Å; F98-A161 HydrophobicContact CE1-CB 3.65Å; F98-L193 CarbonylContact O-C 3.54Å; F98-L193 VanDerWaalsContact O-CA 3.3Å; F98-L193 WeakPolarHBondContact O-CA 3.49Å; F98-F194 HydrophobicContact CB-CD1 3.7Å; F98-F194 HydrophobicContact CB-CD2 4.17Å; F98-F194 HydrophobicContact CB-CE1 3.23Å; F98-F194 HydrophobicContact CB-CE2 3.74Å; F98-F194 HydrophobicContact CB-CG 4.15Å; F98-F194 HydrophobicContact CB-CZ 3.26Å; F98-F194 HydrophobicContact CD1-CZ 4.36Å; F98-F194 HydrophobicContact CD2-CD2 4.15Å; F98-F194 AromaticContact CD2-CE2 3.73Å; F98-F194 HydrophobicContact CD2-CE2 3.73Å; F98-F194 HydrophobicContact CD2-CZ 4.07Å; F98-F194 HydrophobicContact CG-CD2 4.48Å; F98-F194 HydrophobicContact CG-CE1 4.16Å; F98-F194 AromaticContact CG-CE2 3.84Å; F98-F194 HydrophobicContact CG-CE2 3.84Å; F98-F194 AromaticContact CG-CZ 3.66Å; F98-F194 HydrophobicContact CG-CZ 3.66Å; F98-F194 PolarHBondContact N-O 3.1Å; F98-F194 PolarHBondContact O-N 3.38Å; F98-I196 HydrophobicContact CD2-CD1 4.35Å; F98-I196 HydrophobicContact CD2-CG1 4.4Å; F98-I196 HydrophobicContact CE2-CB 4.36Å; F98-I196 HydrophobicContact CE2-CD1 3.71Å; F98-I196 HydrophobicContact CE2-CG1 3.97Å; F98-I196 HydrophobicContact CZ-CD1 3.97Å; F98-Q206 HydrophobicContact CZ-CG 4.49Å; F98-I210 HydrophobicContact CE1-CD1 3.72Å; F98-I210 HydrophobicContact CZ-CD1 3.54Å
99I97.2Very high92.7Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-90.1116.6164.2-57.5176.7000106.8A107 I110 I111 L159 I160 L162 L193I99-A107 HydrophobicContact CD1-CB 4.06Å; I99-I110 HydrophobicContact CD1-CB 4.11Å; I99-I110 HydrophobicContact CD1-CD1 4.39Å; I99-I110 HydrophobicContact CD1-CG2 3.92Å; I99-I110 HydrophobicContact CG1-CD1 4.44Å; I99-I110 HydrophobicContact CG1-CG2 4.03Å; I99-I110 HydrophobicContact CG2-CD1 3.76Å; I99-I111 HydrophobicContact CD1-CG1 4.34Å; I99-L159 VanDerWaalsContact O-CB 3.27Å; I99-L159 WeakPolarHBondContact O-CB 3.46Å; I99-I160 HydrophobicContact CB-CB 4.12Å; I99-I160 HydrophobicContact CD1-CB 4.28Å; I99-I160 HydrophobicContact CD1-CD1 4.16Å; I99-I160 HydrophobicContact CG1-CB 4.42Å; I99-I160 PolarHBondContact N-O 3.39Å; I99-I160 PolarHBondContact O-N 3.26Å; I99-I160 VanDerWaalsContact O-N 3.14Å; I99-L162 HydrophobicContact CD1-CD1 4.08Å; I99-L162 HydrophobicContact CG1-CD1 4.25Å; I99-L193 HydrophobicContact CG1-CD2 3.8Å
100P95.9Very high93.4Very high10 Ų1039.1 Ų39.17%0.06520%0.199CC..  trans-69.9162.6-175.830.8-34.2000111.8A102 S103 V104 P191 D192 F194P100-A102 PolarHBondContact O-N 3.45Å; P100-A102 VanDerWaalsContact O-N 3.1Å; P100-S103 PolarHBondContact O-N 3.39Å; P100-V104 PolarHBondContact O-N 3.36Å; P100-P191 WeakPolarHBondContact CG-O 3.41Å; P100-D192 WeakPolarHBondContact CD-O 3.3Å; P100-F194 HydrophobicContact CB-CD1 3.85Å; P100-F194 HydrophobicContact CB-CE1 3.83Å; P100-F194 HydrophobicContact CG-CD1 4.3Å
101P95.2Very high94.3Very high35 Ų3535.8 Ų35.823%0.22718%0.176CC..G310 helixtrans-53.9-35.1-178.5-27.234.6000114.9S103 L154 K157 Q158 L159P101-S103 PolarHBondContact O-N 3.39Å; P101-L154 HydrophobicContact CG-CD2 4.19Å; P101-K157 HydrophobicContact CB-CB 3.84Å; P101-K157 HydrophobicContact CB-CD 4.48Å; P101-K157 HydrophobicContact CG-CB 3.54Å; P101-K157 HydrophobicContact CG-CD 4.35Å; P101-Q158 WeakPolarHBondContact CA-O 3.48Å; P101-Q158 VanDerWaalsContact CB-O 3.26Å; P101-Q158 WeakPolarHBondContact CB-O 3.4Å; P101-Q158 WeakPolarHBondContact CG-O 3.03Å; P101-L159 HydrophobicContact CG-CB 4.27Å
102A94.9Very high95.2Very high75 Ų7531.3 Ų31.362%0.6216%0.161SC*.G310 helixtrans-63.9-18.8178.400000113.7P100 F105P100-A102 PolarHBondContact O-N 3.45Å; P100-A102 VanDerWaalsContact O-N 3.1Å; A102-F105 WeakPolarHBondContact O-CD1 3.39Å; A102-F105 WeakPolarHBondContact O-CE1 3.45Å
103S96.7Very high95.9Very high7 Ų732 Ų325%0.04916%0.161CC..G310 helixtrans-126.48-172.4-61.60000113.9P100 P101 F105 R106 P191P100-S103 PolarHBondContact O-N 3.39Å; P101-S103 PolarHBondContact O-N 3.39Å; S103-F105 PolarHBondContact O-N 2.61Å; S103-R106 WeakPolarHBondContact O-CA 3.47Å; S103-R106 PolarHBondContact O-N 2.87Å; S103-P191 VanDerWaalsContact CB-O 3.31Å; S103-P191 WeakPolarHBondContact CB-O 3.44Å; S103-P191 PolarHBondContact OG-O 3.01Å
104V95.7Very high96.2Very high22 Ų2230.4 Ų30.413%0.13315%0.154CC..G310 helixtrans-56.2-33.9174.7170.30000112P100 R106 A107 M126 Q158 I160P100-V104 PolarHBondContact O-N 3.36Å; V104-R106 PolarHBondContact O-N 2.74Å; V104-A107 WeakPolarHBondContact O-CB 3.34Å; V104-A107 PolarHBondContact O-N 3.26Å; V104-A107 VanDerWaalsContact O-N 3.12Å; V104-M126 HydrophobicContact CG1-CE 3.84Å; V104-Q158 WeakPolarHBondContact CG2-O 3.2Å; V104-I160 HydrophobicContact CG1-CD1 4.19Å; V104-I160 HydrophobicContact CG1-CG1 4.47Å; V104-I160 HydrophobicContact CG2-CG1 4.41Å
105F94.5Very high96.4Very high146 Ų14626.5 Ų26.564%0.6414%0.14SC*.G310 helixtrans-67.3-16.817775.4-92.6000113.6A102 S103A102-F105 WeakPolarHBondContact O-CD1 3.39Å; A102-F105 WeakPolarHBondContact O-CE1 3.45Å; S103-F105 PolarHBondContact O-N 2.61Å
106R96.7Very high96.5Very high77 Ų7731.8 Ų31.829%0.29117%0.168SC..G310 helixtrans-101.512175.6-55.7-175.766.6-1520.6112.6S103 V104 G108 E109 I110 D192S103-R106 WeakPolarHBondContact O-CA 3.47Å; S103-R106 PolarHBondContact O-N 2.87Å; V104-R106 PolarHBondContact O-N 2.74Å; R106-G108 PolarHBondContact O-N 2.69Å; R106-G108 VanDerWaalsContact O-N 3.1Å; R106-E109 IonicContact CZ-OE2 3.95Å; R106-E109 IonicContact NE-OE1 3.35Å; R106-E109 IonicContact NE-OE2 3.82Å; R106-E109 PolarHBondContact NE-OE2 2.76Å; R106-E109 IonicContact NH2-OE2 3.92Å; R106-E109 PolarHBondContact NH2-OE2 2.87Å; R106-E109 PolarHBondContact O-N 3.35Å; R106-I110 HydrophobicContact CB-CD1 4.06Å; R106-I110 HydrophobicContact CB-CG1 4.38Å; R106-I110 WeakPolarHBondContact O-CG1 3.48Å; R106-I110 PolarHBondContact O-N 3.31Å; R106-D192 IonicContact CZ-OD1 3.25Å; R106-D192 IonicContact NH1-OD1 2.79Å; R106-D192 PolarHBondContact NH1-OD1 3.38Å; R106-D192 IonicContact NH1-OD2 3.42Å; R106-D192 PolarHBondContact NH1-OD2 3.02Å
107A97.9Very high96.4Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-53.7-37.1-173.500000113.4I99 V104 I110 I111 I160 W247I99-A107 HydrophobicContact CD1-CB 4.06Å; V104-A107 WeakPolarHBondContact O-CB 3.34Å; V104-A107 PolarHBondContact O-N 3.26Å; V104-A107 VanDerWaalsContact O-N 3.12Å; A107-I110 PolarHBondContact O-N 3.47Å; A107-I111 VanDerWaalsContact O-CB 3.32Å; A107-I111 WeakPolarHBondContact O-CB 3.37Å; A107-I111 WeakPolarHBondContact O-CD1 3.45Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.38Å; A107-I160 HydrophobicContact CB-CD1 3.37Å; A107-W247 HydrophobicContact CB-CD2 4.3Å; A107-W247 HydrophobicContact CB-CH2 4.14Å; A107-W247 HydrophobicContact CB-CZ2 3.63Å
108G98.1Very high96.1Very high0 Ų041.2 Ų41.20%022%0.222CC..Hα-helixtrans-60.2-47.1174.900000113.6R106 I110 G112 G244 S248R106-G108 PolarHBondContact O-N 2.69Å; R106-G108 VanDerWaalsContact O-N 3.1Å; G108-I110 VanDerWaalsContact C-N 3.35Å; G108-I110 PolarHBondContact O-N 2.98Å; G108-G112 PolarHBondContact O-N 3.29Å; G108-G244 CarbonylContact C-O 3.56Å; G108-G244 WeakPolarHBondContact CA-O 3.37Å; G108-G244 CarbonylContact O-C 2.93Å; G108-G244 WeakPolarHBondContact O-CA 3.47Å; G108-S248 WeakPolarHBondContact CA-OG 3.25Å
109E98.2Very high96Very high100 Ų10041.5 Ų41.547%0.46722%0.224SC..Hα-helixtrans-62.9-43.7177.7-65169.2-129.300111.1R106 G112 M113 S248R106-E109 IonicContact CZ-OE2 3.95Å; R106-E109 IonicContact NE-OE1 3.35Å; R106-E109 IonicContact NE-OE2 3.82Å; R106-E109 PolarHBondContact NE-OE2 2.76Å; R106-E109 IonicContact NH2-OE2 3.92Å; R106-E109 PolarHBondContact NH2-OE2 2.87Å; R106-E109 PolarHBondContact O-N 3.35Å; E109-G112 PolarHBondContact O-N 3.17Å; E109-M113 WeakPolarHBondContact O-CB 3.44Å; E109-M113 PolarHBondContact O-N 3.25Å; E109-S248 PolarHBondContact N-OG 3.35Å; E109-S248 VanDerWaalsContact N-OG 3.09Å
110I98.2Very high95.7Very high1 Ų145.4 Ų45.41%0.00524%0.239CC..Hα-helixtrans-67.6-46.4-177.1-62.3166.7000110.7I99 R106 A107 G108 G112 M113 L114 D192 L193I99-I110 HydrophobicContact CD1-CB 4.11Å; I99-I110 HydrophobicContact CD1-CD1 4.39Å; I99-I110 HydrophobicContact CD1-CG2 3.92Å; I99-I110 HydrophobicContact CG1-CD1 4.44Å; I99-I110 HydrophobicContact CG1-CG2 4.03Å; I99-I110 HydrophobicContact CG2-CD1 3.76Å; R106-I110 HydrophobicContact CB-CD1 4.06Å; R106-I110 HydrophobicContact CB-CG1 4.38Å; R106-I110 WeakPolarHBondContact O-CG1 3.48Å; R106-I110 PolarHBondContact O-N 3.31Å; A107-I110 PolarHBondContact O-N 3.47Å; G108-I110 VanDerWaalsContact C-N 3.35Å; G108-I110 PolarHBondContact O-N 2.98Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-M113 HydrophobicContact CG2-CE 4.3Å; I110-M113 PolarHBondContact O-N 2.97Å; I110-L114 WeakPolarHBondContact O-CG 3.27Å; I110-L114 PolarHBondContact O-N 3.15Å; I110-L114 VanDerWaalsContact O-N 3.16Å; I110-D192 HydrophobicContact CD1-CB 3.76Å; I110-D192 HydrophobicContact CG1-CB 3.95Å; I110-L193 HydrophobicContact CG2-CD1 4.09Å; I110-L193 HydrophobicContact CG2-CD2 3.57Å; I110-L193 HydrophobicContact CG2-CG 3.77Å
111I98.4Very high95.6Very high0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-63.6-41.6175.7-67.8165.5000110.2I99 A107 M113 L114 E115 I121 L124 L162 T243 W247I99-I111 HydrophobicContact CD1-CG1 4.34Å; A107-I111 VanDerWaalsContact O-CB 3.32Å; A107-I111 WeakPolarHBondContact O-CB 3.37Å; A107-I111 WeakPolarHBondContact O-CD1 3.45Å; A107-I111 WeakPolarHBondContact O-CG1 3.41Å; A107-I111 PolarHBondContact O-N 3.38Å; I111-M113 VanDerWaalsContact C-N 3.32Å; I111-M113 PolarHBondContact O-N 3.42Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 2.95Å; I111-L114 VanDerWaalsContact O-N 3.08Å; I111-E115 HydrophobicContact CG2-CG 4.29Å; I111-E115 WeakPolarHBondContact O-CG 3.3Å; I111-E115 PolarHBondContact O-N 3.1Å; I111-I121 HydrophobicContact CG2-CD1 4.34Å; I111-I121 HydrophobicContact CG2-CG1 4.11Å; I111-L124 HydrophobicContact CD1-CD1 3.67Å; I111-L162 HydrophobicContact CG1-CD1 4.18Å; I111-T243 HydrophobicContact CG2-CG2 3.97Å; I111-W247 HydrophobicContact CD1-CE3 3.8Å; I111-W247 HydrophobicContact CD1-CZ3 3.84Å
112G97.9Very high95.5Very high7 Ų744.8 Ų44.87%0.07223%0.233CC..Hα-helixtrans-60.4-41.7177.600000112.2G108 E109 I110 L114 E115 D116G108-G112 PolarHBondContact O-N 3.29Å; E109-G112 PolarHBondContact O-N 3.17Å; I110-G112 VanDerWaalsContact C-N 3.32Å; G112-L114 VanDerWaalsContact C-N 3.32Å; G112-L114 PolarHBondContact O-N 2.98Å; G112-E115 PolarHBondContact O-N 2.82Å; G112-D116 WeakPolarHBondContact O-CB 3.26Å; G112-D116 VanDerWaalsContact O-CG 3.26Å; G112-D116 PolarHBondContact O-N 3.43Å
113M97.1Very high95.4Very high50 Ų5042.5 Ų42.525%0.24621%0.21CC..Hα-helixtrans-61.9-36.8173.6171.1-179.150.200112.9E109 I110 I111 K117 F176E109-M113 WeakPolarHBondContact O-CB 3.44Å; E109-M113 PolarHBondContact O-N 3.25Å; I110-M113 HydrophobicContact CG2-CE 4.3Å; I110-M113 PolarHBondContact O-N 2.97Å; I111-M113 VanDerWaalsContact C-N 3.32Å; I111-M113 PolarHBondContact O-N 3.42Å; M113-K117 WeakPolarHBondContact O-CG 3.46Å; M113-K117 PolarHBondContact O-N 3.29Å; M113-F176 HydrophobicContact CE-CE1 3.93Å; M113-F176 HydrophobicContact CE-CZ 3.6Å; M113-F176 HydrophobicContact SD-CE1 4.2Å; M113-F176 HydrophobicContact SD-CE2 3.76Å; M113-F176 HydrophobicContact SD-CZ 3.32Å; M113-F176 WeakPolarHBondContact SD-CZ 3.41Å
114L96.7Very high95.3Very high3 Ų342.3 Ų42.32%0.01621%0.208CC..Hα-helixtrans-68.4-44.7175-63.8171000110.8I110 I111 G112 K117 L119 I121 L162 V164 L173 L193I110-L114 WeakPolarHBondContact O-CG 3.27Å; I110-L114 PolarHBondContact O-N 3.15Å; I110-L114 VanDerWaalsContact O-N 3.16Å; I111-L114 WeakPolarHBondContact O-CB 3.32Å; I111-L114 PolarHBondContact O-N 2.95Å; I111-L114 VanDerWaalsContact O-N 3.08Å; G112-L114 VanDerWaalsContact C-N 3.32Å; G112-L114 PolarHBondContact O-N 2.98Å; L114-K117 PolarHBondContact O-N 3.28Å; L114-K117 VanDerWaalsContact O-N 3.16Å; L114-L119 HydrophobicContact CB-CB 4.41Å; L114-L119 HydrophobicContact CB-CD1 4.41Å; L114-L119 HydrophobicContact CD2-CD1 3.78Å; L114-L119 VanDerWaalsContact O-CB 3.28Å; L114-L119 WeakPolarHBondContact O-CB 3.38Å; L114-L119 PolarHBondContact O-N 3.33Å; L114-I121 HydrophobicContact CD1-CD1 4.4Å; L114-L162 HydrophobicContact CD1-CD1 3.78Å; L114-V164 HydrophobicContact CD1-CG1 4.27Å; L114-L173 HydrophobicContact CD2-CD2 3.7Å; L114-L193 HydrophobicContact CD2-CD1 4.07Å
115E95.7Very high95.2Very high22 Ų2241.5 Ų41.510%0.10320%0.203CC..Hα-helixtrans-62.3-41.4177.2-70.8175.5139.200111.7I111 G112 K117 S118 G241 T243 G244I111-E115 HydrophobicContact CG2-CG 4.29Å; I111-E115 WeakPolarHBondContact O-CG 3.3Å; I111-E115 PolarHBondContact O-N 3.1Å; G112-E115 PolarHBondContact O-N 2.82Å; E115-K117 PolarHBondContact O-N 3.08Å; E115-S118 WeakPolarHBondContact O-CA 3.31Å; E115-S118 PolarHBondContact O-N 3.47Å; E115-G241 VanDerWaalsContact OE1-C 3.23Å; E115-G241 VanDerWaalsContact OE1-CA 3.28Å; E115-G241 WeakPolarHBondContact OE1-CA 3.49Å; E115-T243 WeakPolarHBondContact OE1-CB 3.29Å; E115-T243 PolarHBondContact OE1-N 3.37Å; E115-T243 PolarHBondContact OE1-OG1 3.44Å; E115-T243 PolarHBondContact OE2-N 3.44Å; E115-G244 PolarHBondContact OE2-N 2.94Å
116D95Very high95.2Very high111 Ų11134.8 Ų34.859%0.59417%0.174SC*.Hα-helixtrans-64.2-26.1176.4-73.5-21.6000112.3G112 S118 K245G112-D116 WeakPolarHBondContact O-CB 3.26Å; G112-D116 VanDerWaalsContact O-CG 3.26Å; G112-D116 PolarHBondContact O-N 3.43Å; D116-S118 PolarHBondContact O-N 3.35Å; D116-K245 IonicContact OD1-NZ 2.8Å
117K92.4Very high95Very high95 Ų9531.2 Ų31.241%0.41316%0.16SC..THydrogen-bonded Turntrans-82.713.6170.2-69.7179.2-177.9-121.60113.3M113 L114 E115 L119 L172M113-K117 WeakPolarHBondContact O-CG 3.46Å; M113-K117 PolarHBondContact O-N 3.29Å; L114-K117 PolarHBondContact O-N 3.28Å; L114-K117 VanDerWaalsContact O-N 3.16Å; E115-K117 PolarHBondContact O-N 3.08Å; K117-L119 HydrophobicContact CB-CG 4.2Å; K117-L119 PolarHBondContact O-N 2.95Å; K117-L172 HydrophobicContact CD-CD2 4.37Å
118S89.7Confident94.6Very high104 Ų10435.9 Ų35.973%0.72718%0.178SC*.THydrogen-bonded Turntrans59.124.6-176.7-55.50000113.9E115 D116E115-S118 WeakPolarHBondContact O-CA 3.31Å; E115-S118 PolarHBondContact O-N 3.47Å; D116-S118 PolarHBondContact O-N 3.35Å
119L92.9Very high94.1Very high7 Ų736 Ų364%0.03718%0.178CC..  trans-86.4130.5172.2-54.4179.4000109.1L114 K117 V169 L172 L173L114-L119 HydrophobicContact CB-CB 4.41Å; L114-L119 HydrophobicContact CB-CD1 4.41Å; L114-L119 HydrophobicContact CD2-CD1 3.78Å; L114-L119 VanDerWaalsContact O-CB 3.28Å; L114-L119 WeakPolarHBondContact O-CB 3.38Å; L114-L119 PolarHBondContact O-N 3.33Å; K117-L119 HydrophobicContact CB-CG 4.2Å; K117-L119 PolarHBondContact O-N 2.95Å; L119-V169 HydrophobicContact CD1-CG2 4.17Å; L119-V169 HydrophobicContact CD2-CB 4.31Å; L119-V169 HydrophobicContact CD2-CG2 3.76Å; L119-L172 HydrophobicContact CD1-CD2 3.94Å; L119-L173 HydrophobicContact CD1-CD2 4.23Å
120R91.7Very high93.6Very high81 Ų8134.1 Ų34.131%0.30617%0.174SC..EExtended strand (participates in β ladder)trans-93.8131.5-179.9-67.3-173.8-71.4-175.5-3.7110.4I122 V164 M165R120-I122 HydrophobicContact CB-CD1 4.35Å; R120-I122 PolarHBondContact O-N 3.19Å; R120-V164 CarbonylContact O-C 3.46Å; R120-V164 VanDerWaalsContact O-CA 3.31Å; R120-V164 WeakPolarHBondContact O-CA 3.31Å; R120-M165 PolarHBondContact N-O 3.37Å; R120-M165 PolarHBondContact NH2-SD 3.37Å; R120-M165 VanDerWaalsContact NH2-SD 3.37Å; R120-M165 PolarHBondContact O-N 2.9Å
121I94.8Very high93.1Very high11 Ų1136.2 Ų36.26%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-75.6112.5170.5-51.3-52.5000108.6I111 L114 L124 L162 V164 L262I111-I121 HydrophobicContact CG2-CD1 4.34Å; I111-I121 HydrophobicContact CG2-CG1 4.11Å; L114-I121 HydrophobicContact CD1-CD1 4.4Å; I121-L124 HydrophobicContact CG2-CB 3.97Å; I121-L124 HydrophobicContact CG2-CD1 4.45Å; I121-L162 HydrophobicContact CG2-CD2 4.35Å; I121-V164 HydrophobicContact CD1-CG1 3.72Å; I121-L262 HydrophobicContact CG2-CD1 4.17Å
122I91.5Very high92.6Very high22 Ų2241.8 Ų41.811%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-91.5-43.7178.5-59.6-55.7000110.6R120 E163 M165 L262 R264R120-I122 HydrophobicContact CB-CD1 4.35Å; R120-I122 PolarHBondContact O-N 3.19Å; I122-E163 WeakPolarHBondContact CA-O 3.39Å; I122-E163 HydrophobicContact CB-CB 4.39Å; I122-E163 HydrophobicContact CB-CG 4.27Å; I122-E163 WeakPolarHBondContact CB-O 2.91Å; I122-E163 PolarHBondContact N-O 2.94Å; I122-M165 HydrophobicContact CD1-CB 3.71Å; I122-M165 HydrophobicContact CD1-CE 3.84Å; I122-M165 HydrophobicContact CD1-CG 4.48Å; I122-M165 HydrophobicContact CD1-SD 4Å; I122-M165 HydrophobicContact CG1-CB 3.41Å; I122-M165 VanDerWaalsContact CG1-CB 3.41Å; I122-M165 HydrophobicContact CG1-CE 4.06Å; I122-L262 WeakPolarHBondContact O-CD1 3.45Å; I122-L262 WeakPolarHBondContact O-CD2 3.47Å; I122-R264 PolarHBondContact O-NH1 3.39Å; I122-R264 PolarHBondContact O-NH2 3.49Å
123N93.7Very high92.1Very high27 Ų2743.2 Ų43.214%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-136.2146.9172.1-69.1-52.7000109.1L162 E163 F211 R264N123-L162 CarbonylContact O-C 3.53Å; N123-L162 WeakPolarHBondContact O-CA 3.21Å; N123-E163 HydrophobicContact CB-CB 3.88Å; N123-E163 PolarHBondContact N-O 3.31Å; N123-E163 PolarHBondContact ND2-OE2 3.29Å; N123-E163 PolarHBondContact O-N 2.91Å; N123-F211 HydrophobicContact CB-CB 4.12Å; N123-F211 HydrophobicContact CB-CD1 3.57Å; N123-F211 HydrophobicContact CB-CD2 3.85Å; N123-F211 HydrophobicContact CB-CE1 3.81Å; N123-F211 HydrophobicContact CB-CE2 4.11Å; N123-F211 HydrophobicContact CB-CG 3.58Å; N123-F211 HydrophobicContact CB-CZ 4.07Å; N123-R264 PolarHBondContact OD1-NH1 3.36Å
124L94.9Very high91.7Very high2 Ų240.9 Ų40.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-140.1131.7175.9-178.8153.7000107.1I111 I121 I160 A161 L162 W247 A260 R261 L262 I297I111-L124 HydrophobicContact CD1-CD1 3.67Å; I121-L124 HydrophobicContact CG2-CB 3.97Å; I121-L124 HydrophobicContact CG2-CD1 4.45Å; L124-I160 HydrophobicContact CD2-CG2 4.34Å; L124-I160 HydrophobicContact CG-CG2 4.03Å; L124-A161 WeakPolarHBondContact CA-O 3.21Å; L124-L162 HydrophobicContact CB-CD2 3.87Å; L124-L162 HydrophobicContact CD1-CD2 3.56Å; L124-L162 HydrophobicContact CG-CD2 3.54Å; L124-W247 HydrophobicContact CD1-CZ3 3.92Å; L124-W247 HydrophobicContact CD2-CZ3 4.25Å; L124-A260 HydrophobicContact CD2-CB 3.66Å; L124-R261 CarbonylContact O-C 3.38Å; L124-R261 VanDerWaalsContact O-CA 3.32Å; L124-R261 WeakPolarHBondContact O-CA 3.31Å; L124-L262 HydrophobicContact CB-CB 4Å; L124-L262 PolarHBondContact O-N 3.49Å; L124-I297 HydrophobicContact CD1-CD1 4.45Å; L124-I297 HydrophobicContact CD2-CG2 4.44Å
125K93.5Very high91.2Very high5 Ų544.8 Ų44.82%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-148.6120.3175.9-170.8176.5-176.51770110.6M127 I160 A161 I210 F211 G215 G216 F219K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 HydrophobicContact CG-CB 4.41Å; K125-I160 WeakPolarHBondContact O-CA 3.29Å; K125-A161 PolarHBondContact N-O 2.89Å; K125-A161 PolarHBondContact O-N 2.94Å; K125-I210 PolarHBondContact NZ-O 2.97Å; K125-F211 HydrophobicContact CB-CD1 3.97Å; K125-F211 HydrophobicContact CB-CE1 3.62Å; K125-G215 PolarHBondContact NZ-O 2.92Å; K125-G216 PolarHBondContact NZ-O 3.14Å; K125-F219 WeakPolarHBondContact CE-O 3.24Å
126M94.2Very high90.7Very high6 Ų646.6 Ų46.63%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-84.3127.1168-174.1176.2-8500109V104 Q158 L159 I160 W247 V257 A259 A260V104-M126 HydrophobicContact CG1-CE 3.84Å; M126-Q158 HydrophobicContact CG-CG 3.86Å; M126-Q158 VanDerWaalsContact CG-NE2 3.26Å; M126-Q158 HydrophobicContact SD-CG 4.44Å; M126-Q158 PolarHBondContact SD-NE2 3.34Å; M126-L159 WeakPolarHBondContact CA-O 3.11Å; M126-I160 HydrophobicContact CB-CG1 4.18Å; M126-I160 HydrophobicContact CE-CD1 3.67Å; M126-I160 HydrophobicContact CE-CG1 3.8Å; M126-I160 HydrophobicContact CG-CG1 4.16Å; M126-W247 HydrophobicContact CE-CH2 3.86Å; M126-W247 HydrophobicContact CE-CZ2 3.69Å; M126-V257 HydrophobicContact CE-CG1 4.03Å; M126-V257 HydrophobicContact SD-CG1 4.49Å; M126-A259 VanDerWaalsContact SD-CA 3.57Å; M126-A260 HydrophobicContact CB-CB 3.97Å; M126-A260 WeakPolarHBondContact CB-O 3.32Å; M126-A260 HydrophobicContact CE-CB 4.23Å; M126-A260 PolarHBondContact N-O 3.49Å; M126-A260 HydrophobicContact SD-CB 4.37Å
127M91.9Very high90.2Very high1 Ų141.4 Ų41.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-156168.5-166.453.9178.3-79.800112.2K125 F129 Q158 L159 A161 I210 F219K125-M127 HydrophobicContact CD-SD 4.48Å; K125-M127 HydrophobicContact CG-CB 4.41Å; M127-F129 HydrophobicContact CE-CD1 3.51Å; M127-F129 HydrophobicContact CE-CD2 4.29Å; M127-F129 HydrophobicContact CE-CE1 3.06Å; M127-F129 HydrophobicContact CE-CE2 3.91Å; M127-F129 HydrophobicContact CE-CG 4.11Å; M127-F129 HydrophobicContact CE-CZ 3.27Å; M127-F129 HydrophobicContact SD-CZ 4.42Å; M127-Q158 WeakPolarHBondContact O-CA 3.19Å; M127-L159 HydrophobicContact CG-CD1 3.84Å; M127-L159 PolarHBondContact N-O 3.23Å; M127-L159 PolarHBondContact O-N 3.19Å; M127-L159 HydrophobicContact SD-CD1 4.48Å; M127-A161 HydrophobicContact SD-CB 3.95Å; M127-I210 HydrophobicContact SD-CG2 3.87Å; M127-F219 HydrophobicContact CB-CB 4.1Å; M127-F219 HydrophobicContact CE-CB 3.61Å; M127-F219 HydrophobicContact CE-CD1 3.18Å; M127-F219 HydrophobicContact CE-CD2 4.41Å; M127-F219 HydrophobicContact CE-CE1 3.93Å; M127-F219 HydrophobicContact CE-CG 3.45Å; M127-F219 VanDerWaalsContact CE-CG 3.45Å; M127-F219 HydrophobicContact SD-CB 4.01Å; M127-F219 HydrophobicContact SD-CD1 4.44Å; M127-F219 HydrophobicContact SD-CG 4.16Å
128R90.6Very high89.9Confident99 Ų9936.9 Ų36.937%0.37420%0.196SC..EExtended strand (participates in β ladder)trans-125.6141.2169.4-62.8176.1-175.5170.53.8108Q158 H220R128-Q158 HydrophobicContact CG-CB 4.13Å; R128-H220 PolarHBondContact N-O 3.12Å
129F87.5Confident89.2Confident2 Ų236 Ų361%0.00918%0.183CC..BIsolated β-bridgetrans-91.2136.1172.3-69.5-68.9000110.9F98 M127 E133 L134 L137 G156 L159 F219F98-F129 HydrophobicContact CE1-CE2 4.49Å; F98-F129 HydrophobicContact CE1-CZ 4.1Å; M127-F129 HydrophobicContact CE-CD1 3.51Å; M127-F129 HydrophobicContact CE-CD2 4.29Å; M127-F129 HydrophobicContact CE-CE1 3.06Å; M127-F129 HydrophobicContact CE-CE2 3.91Å; M127-F129 HydrophobicContact CE-CG 4.11Å; M127-F129 HydrophobicContact CE-CZ 3.27Å; M127-F129 HydrophobicContact SD-CZ 4.42Å; F129-E133 HydrophobicContact CD1-CB 4.12Å; F129-L134 HydrophobicContact CB-CB 3.89Å; F129-L134 HydrophobicContact CD2-CD1 3.96Å; F129-L134 HydrophobicContact CE2-CD1 4.25Å; F129-L134 HydrophobicContact CG-CB 4.19Å; F129-L134 HydrophobicContact CG-CD1 4.25Å; F129-L137 HydrophobicContact CE1-CD2 3.49Å; F129-L137 VanDerWaalsContact CE1-CD2 3.49Å; F129-L137 HydrophobicContact CE2-CD2 4.22Å; F129-L137 HydrophobicContact CZ-CD2 3.26Å; F129-G156 PolarHBondContact O-N 2.93Å; F129-L159 HydrophobicContact CD2-CD2 3.65Å; F129-L159 HydrophobicContact CD2-CG 4.48Å; F129-L159 HydrophobicContact CE2-CD1 3.97Å; F129-L159 HydrophobicContact CE2-CD2 3.57Å; F129-L159 HydrophobicContact CE2-CG 4.27Å; F129-F219 AromaticContact CD1-CD1 3.81Å; F129-F219 HydrophobicContact CD1-CD1 3.81Å; F129-F219 AromaticContact CD1-CE1 3.69Å; F129-F219 HydrophobicContact CD1-CE1 3.69Å; F129-F219 AromaticContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CD1 3.79Å; F129-F219 AromaticContact CE1-CE1 3.5Å; F129-F219 HydrophobicContact CE1-CE1 3.5Å; F129-F219 HydrophobicContact CE1-CZ 4.46Å
130T88Confident88.1Confident61 Ų6143 Ų4337%0.37422%0.221SC..  trans-70.8162.615467.20000110.2D132 E133 L134T130-D132 PolarHBondContact O-N 3.28Å; T130-E133 VanDerWaalsContact CG2-OE1 3.27Å; T130-E133 WeakPolarHBondContact CG2-OE1 3.22Å; T130-E133 PolarHBondContact N-OE2 2.89Å; T130-E133 PolarHBondContact O-N 2.67Å; T130-E133 WeakPolarHBondContact OG1-CB 3.41Å; T130-E133 VanDerWaalsContact OG1-CG 3.25Å; T130-E133 WeakPolarHBondContact OG1-CG 3.43Å; T130-E133 PolarHBondContact OG1-N 2.87Å; T130-E133 PolarHBondContact OG1-OE1 2.89Å; T130-E133 PolarHBondContact OG1-OE2 3.44Å; T130-L134 WeakPolarHBondContact O-CB 3.32Å; T130-L134 PolarHBondContact O-N 2.8Å
131S87.3Confident87.1Confident44 Ų4441.6 Ų41.631%0.30822%0.216SC..Hα-helixtrans-60.2-38179.1-169.90000111.7K135S131-K135 VanDerWaalsContact O-CG 3.28Å; S131-K135 WeakPolarHBondContact O-CG 3.2Å; S131-K135 PolarHBondContact O-N 2.8Å; S131-K135 WeakPolarHBondContact OG-CE 3.36Å
132D87.5Confident85.8Confident117 Ų11742.1 Ų42.163%0.62622%0.219SC*.Hα-helixtrans-75.3-39.1-177.6-64.1-27000112.2T130 K135 S136T130-D132 PolarHBondContact O-N 3.28Å; D132-K135 PolarHBondContact O-N 2.9Å; D132-K135 IonicContact OD1-NZ 3.9Å; D132-S136 WeakPolarHBondContact O-CB 3.35Å; D132-S136 PolarHBondContact O-N 2.84Å
133E87.5Confident84.7Confident38 Ų3846.2 Ų46.218%0.17824%0.241CC..Hα-helixtrans-59.3-45.8170.8-80.9155.2-138.700112F129 T130 S136 L137 F219F129-E133 HydrophobicContact CD1-CB 4.12Å; T130-E133 VanDerWaalsContact CG2-OE1 3.27Å; T130-E133 WeakPolarHBondContact CG2-OE1 3.22Å; T130-E133 PolarHBondContact N-OE2 2.89Å; T130-E133 PolarHBondContact O-N 2.67Å; T130-E133 WeakPolarHBondContact OG1-CB 3.41Å; T130-E133 VanDerWaalsContact OG1-CG 3.25Å; T130-E133 WeakPolarHBondContact OG1-CG 3.43Å; T130-E133 PolarHBondContact OG1-N 2.87Å; T130-E133 PolarHBondContact OG1-OE1 2.89Å; T130-E133 PolarHBondContact OG1-OE2 3.44Å; E133-S136 PolarHBondContact O-N 3.44Å; E133-L137 WeakPolarHBondContact O-CB 3.3Å; E133-L137 PolarHBondContact O-N 2.9Å; E133-F219 HydrophobicContact CB-CD1 4.5Å; E133-F219 HydrophobicContact CB-CE1 3.98Å; E133-F219 HydrophobicContact CG-CD1 4.33Å; E133-F219 HydrophobicContact CG-CE1 4Å
134L88.7Confident83.3Confident0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-63.7-45.1179.7-176.754.5000111F129 T130 S136 L137 L138 L151 L154F129-L134 HydrophobicContact CB-CB 3.89Å; F129-L134 HydrophobicContact CD2-CD1 3.96Å; F129-L134 HydrophobicContact CE2-CD1 4.25Å; F129-L134 HydrophobicContact CG-CB 4.19Å; F129-L134 HydrophobicContact CG-CD1 4.25Å; T130-L134 WeakPolarHBondContact O-CB 3.32Å; T130-L134 PolarHBondContact O-N 2.8Å; L134-S136 PolarHBondContact O-N 2.59Å; L134-L137 WeakPolarHBondContact O-CB 3.34Å; L134-L137 PolarHBondContact O-N 2.82Å; L134-L137 VanDerWaalsContact O-N 3.15Å; L134-L138 HydrophobicContact CD1-CD1 3.99Å; L134-L138 HydrophobicContact CD1-CD2 4.41Å; L134-L138 HydrophobicContact CD1-CG 4.01Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.33Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 2.91Å; L134-L151 HydrophobicContact CB-CD2 4.17Å; L134-L151 HydrophobicContact CD2-CD2 3.7Å; L134-L151 HydrophobicContact CD2-CG 4.47Å; L134-L151 HydrophobicContact CG-CD2 3.98Å; L134-L154 HydrophobicContact CD1-CD1 4.17Å; L134-L154 HydrophobicContact CD2-CB 3.76Å
135K87.3Confident82.2Confident86 Ų8656.2 Ų56.237%0.37430%0.3SS..Hα-helixtrans-57.6-50.6174.9-71.6167.7-168.5163.40111.4S131 D132 L137 L138 D139 L151S131-K135 VanDerWaalsContact O-CG 3.28Å; S131-K135 WeakPolarHBondContact O-CG 3.2Å; S131-K135 PolarHBondContact O-N 2.8Å; S131-K135 WeakPolarHBondContact OG-CE 3.36Å; D132-K135 PolarHBondContact O-N 2.9Å; D132-K135 IonicContact OD1-NZ 3.9Å; K135-L137 PolarHBondContact O-N 2.86Å; K135-L137 VanDerWaalsContact O-N 3.15Å; K135-L138 PolarHBondContact O-N 3.18Å; K135-D139 PolarHBondContact O-N 3.19Å; K135-L151 HydrophobicContact CG-CD1 4.46Å; K135-L151 HydrophobicContact CG-CD2 4.04Å
136S85.2Confident81.6Confident59 Ų5956.8 Ų56.841%0.41331%0.305SS..Hα-helixtrans-58.5-29.4177.3177.70000113.3D132 E133 L134 K209D132-S136 WeakPolarHBondContact O-CB 3.35Å; D132-S136 PolarHBondContact O-N 2.84Å; E133-S136 PolarHBondContact O-N 3.44Å; L134-S136 PolarHBondContact O-N 2.59Å; S136-K209 PolarHBondContact O-NZ 2.93Å
137L84.5Confident81Confident2 Ų258 Ų581%0.0131%0.311CS..Hα-helixtrans-77.7-37.5175.2-165.567.7000112.9F98 F129 E133 L134 K135 Y141 I196 Q206 K209 I210F98-L137 HydrophobicContact CE1-CD2 4.43Å; F98-L137 HydrophobicContact CZ-CD2 4.04Å; F129-L137 HydrophobicContact CE1-CD2 3.49Å; F129-L137 VanDerWaalsContact CE1-CD2 3.49Å; F129-L137 HydrophobicContact CE2-CD2 4.22Å; F129-L137 HydrophobicContact CZ-CD2 3.26Å; E133-L137 WeakPolarHBondContact O-CB 3.3Å; E133-L137 PolarHBondContact O-N 2.9Å; L134-L137 WeakPolarHBondContact O-CB 3.34Å; L134-L137 PolarHBondContact O-N 2.82Å; L134-L137 VanDerWaalsContact O-N 3.15Å; K135-L137 PolarHBondContact O-N 2.86Å; K135-L137 VanDerWaalsContact O-N 3.15Å; L137-Y141 WeakPolarHBondContact O-CD2 3.36Å; L137-I196 HydrophobicContact CD2-CD1 3.69Å; L137-I196 HydrophobicContact CG-CD1 4.15Å; L137-Q206 HydrophobicContact CD1-CG 3.89Å; L137-K209 HydrophobicContact CD1-CB 4.44Å; L137-K209 HydrophobicContact CD1-CD 4.27Å; L137-I210 HydrophobicContact CD1-CD1 4.18Å; L137-I210 HydrophobicContact CD1-CG1 4.11Å; L137-I210 HydrophobicContact CD2-CD1 4.25Å
138L84.6Confident80.8Confident1 Ų162 Ų621%0.00534%0.337CS..Hα-helixtrans-79.1-25.8-179.5-65174.6000113L134 K135 N140 Y141 T142 I147 L150 I196L134-L138 HydrophobicContact CD1-CD1 3.99Å; L134-L138 HydrophobicContact CD1-CD2 4.41Å; L134-L138 HydrophobicContact CD1-CG 4.01Å; L134-L138 HydrophobicContact CG-CD1 3.88Å; L134-L138 HydrophobicContact CG-CG 4.33Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 2.91Å; K135-L138 PolarHBondContact O-N 3.18Å; L138-N140 PolarHBondContact O-N 2.82Å; L138-Y141 PolarHBondContact O-N 2.89Å; L138-T142 WeakPolarHBondContact CD2-OG1 3.42Å; L138-T142 PolarHBondContact O-N 2.9Å; L138-I147 HydrophobicContact CD1-CG2 4.3Å; L138-L150 HydrophobicContact CD1-CB 4.11Å; L138-L150 HydrophobicContact CD1-CD1 4.04Å; L138-L150 HydrophobicContact CD2-CD1 3.63Å; L138-I196 HydrophobicContact CD2-CD1 3.86Å; L138-I196 HydrophobicContact CD2-CG1 4.02Å; L138-I196 HydrophobicContact CD2-CG2 3.95Å
139D75.5Confident80.6Confident84 Ų8460.8 Ų60.845%0.44934%0.341SS..THydrogen-bonded Turntrans-51.2122-179.1-76.4-18.1000111.2K135 Y141K135-D139 PolarHBondContact O-N 3.19Å; D139-Y141 WeakPolarHBondContact O-CD2 3.14Å
140N70.1Confident80.6Confident156 Ų15660.8 Ų60.883%0.83434%0.341SS*.THydrogen-bonded Turntrans80.1-4.7-178.4-45.7-69.3000117.6L138L138-N140 PolarHBondContact O-N 2.82Å
141Y70.9Confident80.7Confident50 Ų5059.7 Ų59.720%0.19633%0.332CS..THydrogen-bonded Turntrans-116.2-23.6-174-54.4-59.1000114.6L137 L138 D139 I196 T197 D202 K205L137-Y141 WeakPolarHBondContact O-CD2 3.36Å; L138-Y141 PolarHBondContact O-N 2.89Å; D139-Y141 WeakPolarHBondContact O-CD2 3.14Å; Y141-I196 HydrophobicContact CD2-CG2 4.45Å; Y141-T197 HydrophobicContact CD1-CG2 3.76Å; Y141-T197 HydrophobicContact CD2-CG2 3.92Å; Y141-T197 HydrophobicContact CE1-CG2 4.18Å; Y141-T197 HydrophobicContact CE2-CG2 4.28Å; Y141-T197 HydrophobicContact CG-CG2 3.62Å; Y141-D202 HydrophobicContact CD1-CB 3.95Å; Y141-D202 HydrophobicContact CE1-CB 3.44Å; Y141-D202 VanDerWaalsContact CE1-CB 3.44Å; Y141-K205 WeakPolarHBondContact OH-CD 3.38Å
142T66.4Low81Confident22 Ų2262.7 Ų62.714%0.13535%0.345CS..SBendtrans-111.4144.1-173-60.10000111.8L138 L144 I147 L150 I187L138-T142 WeakPolarHBondContact CD2-OG1 3.42Å; L138-T142 PolarHBondContact O-N 2.9Å; T142-L144 PolarHBondContact O-N 3.12Å; T142-I147 HydrophobicContact CG2-CG1 4.1Å; T142-L150 HydrophobicContact CG2-CD1 3.89Å; T142-I187 HydrophobicContact CG2-CD1 3.38Å
143I68.4Low81.2Confident109 Ų10960.7 Ų60.756%0.55933%0.332SS*.  trans-62131.6171.5-56164.5000108.2S145 S146I143-S145 VanDerWaalsContact CG2-OG 3.28Å; I143-S145 WeakPolarHBondContact CG2-OG 3.41Å; I143-S145 PolarHBondContact O-N 3.23Å; I143-S146 PolarHBondContact O-N 2.63Å
144L65.3Low81.4Confident149 Ų14958.9 Ų58.978%0.7832%0.324SS*.THydrogen-bonded Turntrans-52.3-30.4-175.3-163.675.1000113.2T142 S146 I147T142-L144 PolarHBondContact O-N 3.12Å; L144-S146 PolarHBondContact O-N 2.92Å; L144-I147 HydrophobicContact CD1-CD1 4.05Å
145S71.8Confident81.6Confident89 Ų8961.1 Ų61.162%0.62234%0.337SS*.THydrogen-bonded Turntrans-68.8-27.2178.657.10000114.4I143I143-S145 VanDerWaalsContact CG2-OG 3.28Å; I143-S145 WeakPolarHBondContact CG2-OG 3.41Å; I143-S145 PolarHBondContact O-N 3.23Å
146S79.5Confident81.7Confident17 Ų1759.4 Ų59.412%0.11934%0.344CS..THydrogen-bonded Turntrans-85.5-19.2-178.7-50.10000112.9I143 L144 T149 L150I143-S146 PolarHBondContact O-N 2.63Å; L144-S146 PolarHBondContact O-N 2.92Å; S146-T149 PolarHBondContact O-N 2.83Å; S146-L150 WeakPolarHBondContact O-CG 3.44Å; S146-L150 PolarHBondContact O-N 2.97Å
147I82.6Confident82Confident33 Ų3360.4 Ų60.417%0.16934%0.341CS..Hα-helixtrans-57.5-46.3-175.1-61.4-178.5000112.5L138 T142 L144 T149 L150 L151L138-I147 HydrophobicContact CD1-CG2 4.3Å; T142-I147 HydrophobicContact CG2-CG1 4.1Å; L144-I147 HydrophobicContact CD1-CD1 4.05Å; I147-T149 VanDerWaalsContact C-N 3.33Å; I147-T149 PolarHBondContact O-N 3.16Å; I147-L150 PolarHBondContact O-N 2.91Å; I147-L151 HydrophobicContact CG2-CD1 3.82Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.43Å; I147-L151 PolarHBondContact O-N 2.87Å
148P86.6Confident82.4Confident85 Ų8562.5 Ų62.555%0.55235%0.351SS*.Hα-helixtrans-59.6-41.9179.1-24.735.5000113.1L151 N152P148-L151 PolarHBondContact O-N 2.75Å; P148-N152 PolarHBondContact O-N 2.91Å
149T87.1Confident82.9Confident73 Ų7362.5 Ų62.545%0.44835%0.351SS..Hα-helixtrans-64-46.1177.6-53.20000111S146 I147 L151 N152 E153S146-T149 PolarHBondContact O-N 2.83Å; I147-T149 VanDerWaalsContact C-N 3.33Å; I147-T149 PolarHBondContact O-N 3.16Å; T149-L151 PolarHBondContact O-N 2.89Å; T149-N152 PolarHBondContact O-N 2.89Å; T149-E153 HydrophobicContact CG2-CG 4.39Å; T149-E153 WeakPolarHBondContact O-CB 3.47Å; T149-E153 WeakPolarHBondContact O-CG 3.47Å; T149-E153 PolarHBondContact O-N 2.84Å
150L88.7Confident83.8Confident2 Ų258.5 Ų58.51%0.0133%0.329CS..Hα-helixtrans-63.7-40.6177.9-67.4176.1000112.1L138 T142 S146 I147 N152 E153 L154 I187 L188L138-L150 HydrophobicContact CD1-CB 4.11Å; L138-L150 HydrophobicContact CD1-CD1 4.04Å; L138-L150 HydrophobicContact CD2-CD1 3.63Å; T142-L150 HydrophobicContact CG2-CD1 3.89Å; S146-L150 WeakPolarHBondContact O-CG 3.44Å; S146-L150 PolarHBondContact O-N 2.97Å; I147-L150 PolarHBondContact O-N 2.91Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 3.32Å; L150-E153 PolarHBondContact O-N 2.69Å; L150-L154 HydrophobicContact CB-CD1 4.33Å; L150-L154 HydrophobicContact CD2-CD1 4.06Å; L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.23Å; L150-L154 WeakPolarHBondContact O-CG 3.19Å; L150-L154 PolarHBondContact O-N 2.82Å; L150-I187 HydrophobicContact CD1-CD1 3.83Å; L150-I187 HydrophobicContact CD1-CG2 4.47Å; L150-I187 HydrophobicContact CD2-CB 4.27Å; L150-I187 HydrophobicContact CD2-CG2 3.97Å; L150-L188 HydrophobicContact CD2-CD1 4Å; L150-L188 HydrophobicContact CD2-CD2 4.2Å; L150-L188 HydrophobicContact CD2-CG 3.84Å
151L89.9Confident85Confident37 Ų3751 Ų5119%0.19429%0.289CS..Hα-helixtrans-59.9-44.1174.9-75173000111.2L134 K135 I147 P148 T149 T155L134-L151 HydrophobicContact CB-CD2 4.17Å; L134-L151 HydrophobicContact CD2-CD2 3.7Å; L134-L151 HydrophobicContact CD2-CG 4.47Å; L134-L151 HydrophobicContact CG-CD2 3.98Å; K135-L151 HydrophobicContact CG-CD1 4.46Å; K135-L151 HydrophobicContact CG-CD2 4.04Å; I147-L151 HydrophobicContact CG2-CD1 3.82Å; I147-L151 HydrophobicContact CG2-CG 4.16Å; I147-L151 WeakPolarHBondContact O-CB 3.44Å; I147-L151 WeakPolarHBondContact O-CG 3.43Å; I147-L151 PolarHBondContact O-N 2.87Å; P148-L151 PolarHBondContact O-N 2.75Å; T149-L151 PolarHBondContact O-N 2.89Å; L151-T155 WeakPolarHBondContact O-CB 3.36Å; L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 VanDerWaalsContact O-N 3.16Å; L151-T155 PolarHBondContact O-OG1 2.95Å
152N92.2Very high86.3Confident108 Ų10848.7 Ų48.758%0.57828%0.28SS*.Hα-helixtrans-66-39.4176.7-171.966.7000112.9P148 T149 L150 K157P148-N152 PolarHBondContact O-N 2.91Å; T149-N152 PolarHBondContact O-N 2.89Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 3.32Å; N152-K157 PolarHBondContact O-NZ 2.94Å
153E92Very high87.6Confident75 Ų7548 Ų4835%0.3528%0.275SS..Hα-helixtrans-85.2-20.5-174-67.9-46.3138.300115.2T149 L150 K157 L188T149-E153 HydrophobicContact CG2-CG 4.39Å; T149-E153 WeakPolarHBondContact O-CB 3.47Å; T149-E153 WeakPolarHBondContact O-CG 3.47Å; T149-E153 PolarHBondContact O-N 2.84Å; L150-E153 PolarHBondContact O-N 2.69Å; E153-K157 WeakPolarHBondContact O-CD 3.11Å; E153-K157 IonicContact OE2-NZ 3.3Å; E153-K157 PolarHBondContact OE2-NZ 2.85Å; E153-K157 VanDerWaalsContact OE2-NZ 3.16Å; E153-L188 HydrophobicContact CB-CD1 3.67Å; E153-L188 HydrophobicContact CG-CD1 3.93Å
154L92.4Very high88.9Confident0 Ų042.8 Ų42.80%025%0.249CC..Hα-helixtrans-119.1-27.5-172.5-55.3178.4000114.1P101 L134 L150 G156 K157 L159 F194P101-L154 HydrophobicContact CG-CD2 4.19Å; L134-L154 HydrophobicContact CD1-CD1 4.17Å; L134-L154 HydrophobicContact CD2-CB 3.76Å; L150-L154 HydrophobicContact CB-CD1 4.33Å; L150-L154 HydrophobicContact CD2-CD1 4.06Å; L150-L154 VanDerWaalsContact O-CB 3.26Å; L150-L154 WeakPolarHBondContact O-CB 3.23Å; L150-L154 WeakPolarHBondContact O-CG 3.19Å; L150-L154 PolarHBondContact O-N 2.82Å; L154-G156 PolarHBondContact O-N 3.36Å; L154-K157 PolarHBondContact O-N 3Å; L154-L159 HydrophobicContact CB-CD2 4.36Å; L154-L159 HydrophobicContact CD2-CD2 4.02Å; L154-F194 HydrophobicContact CD1-CE2 3.94Å; L154-F194 HydrophobicContact CD1-CZ 3.7Å; L154-F194 HydrophobicContact CD2-CE1 4.09Å; L154-F194 HydrophobicContact CD2-CZ 3.9Å; L154-F194 HydrophobicContact CG-CZ 4.49Å
155T91.8Very high90.2Very high47 Ų4736.5 Ų36.529%0.28822%0.216SC..BIsolated β-bridgetrans-62.8128.8-176.1-55.70000111.2L151 K157L151-T155 WeakPolarHBondContact O-CB 3.36Å; L151-T155 PolarHBondContact O-N 3.41Å; L151-T155 VanDerWaalsContact O-N 3.16Å; L151-T155 PolarHBondContact O-OG1 2.95Å; T155-K157 PolarHBondContact O-N 2.77Å
156G89.9Confident91.1Very high50 Ų5032.6 Ų32.652%0.51519%0.189SC..THydrogen-bonded Turntrans68.6-5178.600000115.1F129 L154F129-G156 PolarHBondContact O-N 2.93Å; L154-G156 PolarHBondContact O-N 3.36Å
157K92.3Very high91.4Very high80 Ų8035.2 Ų35.235%0.34821%0.205SC..SBendtrans-95.4146.3-179.9-66.1167.4175.9170.30110P101 N152 E153 L154 T155P101-K157 HydrophobicContact CB-CB 3.84Å; P101-K157 HydrophobicContact CB-CD 4.48Å; P101-K157 HydrophobicContact CG-CB 3.54Å; P101-K157 HydrophobicContact CG-CD 4.35Å; N152-K157 PolarHBondContact O-NZ 2.94Å; E153-K157 WeakPolarHBondContact O-CD 3.11Å; E153-K157 IonicContact OE2-NZ 3.3Å; E153-K157 PolarHBondContact OE2-NZ 2.85Å; E153-K157 VanDerWaalsContact OE2-NZ 3.16Å; L154-K157 PolarHBondContact O-N 3Å; T155-K157 PolarHBondContact O-N 2.77Å
158Q92.4Very high91.7Very high46 Ų4638.6 Ų38.622%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-80.2132.9-176.7-171.1159.1-9.600110.6P101 V104 M126 M127 R128 T258P101-Q158 WeakPolarHBondContact CA-O 3.48Å; P101-Q158 VanDerWaalsContact CB-O 3.26Å; P101-Q158 WeakPolarHBondContact CB-O 3.4Å; P101-Q158 WeakPolarHBondContact CG-O 3.03Å; V104-Q158 WeakPolarHBondContact CG2-O 3.2Å; M126-Q158 HydrophobicContact CG-CG 3.86Å; M126-Q158 VanDerWaalsContact CG-NE2 3.26Å; M126-Q158 HydrophobicContact SD-CG 4.44Å; M126-Q158 PolarHBondContact SD-NE2 3.34Å; M127-Q158 WeakPolarHBondContact O-CA 3.19Å; R128-Q158 HydrophobicContact CG-CB 4.13Å; Q158-T258 PolarHBondContact NE2-O 2.99Å
159L94.7Very high91.9Very high0 Ų034.6 Ų34.60%020%0.197CC..EExtended strand (participates in β ladder)trans-142.7171.3177.961.483.6000109.7F98 I99 P101 M126 M127 F129 L154F98-L159 HydrophobicContact CD1-CD1 3.88Å; I99-L159 VanDerWaalsContact O-CB 3.27Å; I99-L159 WeakPolarHBondContact O-CB 3.46Å; P101-L159 HydrophobicContact CG-CB 4.27Å; M126-L159 WeakPolarHBondContact CA-O 3.11Å; M127-L159 HydrophobicContact CG-CD1 3.84Å; M127-L159 PolarHBondContact N-O 3.23Å; M127-L159 PolarHBondContact O-N 3.19Å; M127-L159 HydrophobicContact SD-CD1 4.48Å; F129-L159 HydrophobicContact CD2-CD2 3.65Å; F129-L159 HydrophobicContact CD2-CG 4.48Å; F129-L159 HydrophobicContact CE2-CD1 3.97Å; F129-L159 HydrophobicContact CE2-CD2 3.57Å; F129-L159 HydrophobicContact CE2-CG 4.27Å; L154-L159 HydrophobicContact CB-CD2 4.36Å; L154-L159 HydrophobicContact CD2-CD2 4.02Å
160I95.7Very high92.1Very high0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-119121176-57.7165.5000108.5F98 I99 V104 A107 L124 K125 M126 L162 W247F98-I160 CarbonylContact C-O 3.52Å; F98-I160 VanDerWaalsContact CA-O 3.27Å; F98-I160 WeakPolarHBondContact CA-O 3.44Å; I99-I160 HydrophobicContact CB-CB 4.12Å; I99-I160 HydrophobicContact CD1-CB 4.28Å; I99-I160 HydrophobicContact CD1-CD1 4.16Å; I99-I160 HydrophobicContact CG1-CB 4.42Å; I99-I160 PolarHBondContact N-O 3.39Å; I99-I160 PolarHBondContact O-N 3.26Å; I99-I160 VanDerWaalsContact O-N 3.14Å; V104-I160 HydrophobicContact CG1-CD1 4.19Å; V104-I160 HydrophobicContact CG1-CG1 4.47Å; V104-I160 HydrophobicContact CG2-CG1 4.41Å; A107-I160 HydrophobicContact CB-CD1 3.37Å; L124-I160 HydrophobicContact CD2-CG2 4.34Å; L124-I160 HydrophobicContact CG-CG2 4.03Å; K125-I160 WeakPolarHBondContact O-CA 3.29Å; M126-I160 HydrophobicContact CB-CG1 4.18Å; M126-I160 HydrophobicContact CE-CD1 3.67Å; M126-I160 HydrophobicContact CE-CG1 3.8Å; M126-I160 HydrophobicContact CG-CG1 4.16Å; I160-L162 HydrophobicContact CG2-CD2 3.79Å; I160-L162 HydrophobicContact CG2-CG 4.15Å; I160-W247 HydrophobicContact CD1-CH2 3.7Å; I160-W247 HydrophobicContact CD1-CZ2 3.94Å
161A95Very high92.2Very high0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-88.2133.9167.200000109.4F98 L124 K125 M127 I210 F211F98-A161 HydrophobicContact CD1-CB 3.74Å; F98-A161 HydrophobicContact CE1-CB 3.65Å; L124-A161 WeakPolarHBondContact CA-O 3.21Å; K125-A161 PolarHBondContact N-O 2.89Å; K125-A161 PolarHBondContact O-N 2.94Å; M127-A161 HydrophobicContact SD-CB 3.95Å; A161-I210 HydrophobicContact CB-CD1 4.49Å; A161-I210 HydrophobicContact CB-CG2 3.87Å; A161-F211 HydrophobicContact CB-CE1 4.07Å; A161-F211 HydrophobicContact CB-CZ 3.68Å
162L96.7Very high92.3Very high0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-123.6131.1176.5-59.4175.4000109.1V96 V97 I99 I111 L114 I121 N123 L124 I160 V164V96-L162 CarbonylContact C-O 3.52Å; V96-L162 VanDerWaalsContact CA-O 3.32Å; V96-L162 WeakPolarHBondContact CA-O 3.21Å; V97-L162 HydrophobicContact CG1-CB 3.86Å; V97-L162 HydrophobicContact CG1-CD1 4.31Å; V97-L162 PolarHBondContact N-O 3.48Å; V97-L162 PolarHBondContact O-N 3.02Å; I99-L162 HydrophobicContact CD1-CD1 4.08Å; I99-L162 HydrophobicContact CG1-CD1 4.25Å; I111-L162 HydrophobicContact CG1-CD1 4.18Å; L114-L162 HydrophobicContact CD1-CD1 3.78Å; I121-L162 HydrophobicContact CG2-CD2 4.35Å; N123-L162 CarbonylContact O-C 3.53Å; N123-L162 WeakPolarHBondContact O-CA 3.21Å; L124-L162 HydrophobicContact CB-CD2 3.87Å; L124-L162 HydrophobicContact CD1-CD2 3.56Å; L124-L162 HydrophobicContact CG-CD2 3.54Å; I160-L162 HydrophobicContact CG2-CD2 3.79Å; I160-L162 HydrophobicContact CG2-CG 4.15Å; L162-V164 HydrophobicContact CB-CG1 4.19Å
163E94.9Very high92.3Very high7 Ų730.9 Ų30.93%0.03318%0.181CC..EExtended strand (participates in β ladder)trans-97.9116.9158.2-173-177.2165.400107.2R94 C95 I122 N123 A207 F211R94-E163 HydrophobicContact CB-CG 4.3Å; R94-E163 WeakPolarHBondContact CD-OE1 3.47Å; R94-E163 IonicContact CZ-OE1 2.69Å; R94-E163 IonicContact NE-OE1 3.48Å; R94-E163 IonicContact NH1-OE1 3.35Å; R94-E163 PolarHBondContact NH1-OE1 2.99Å; C95-E163 WeakPolarHBondContact O-CA 3.36Å; I122-E163 WeakPolarHBondContact CA-O 3.39Å; I122-E163 HydrophobicContact CB-CB 4.39Å; I122-E163 HydrophobicContact CB-CG 4.27Å; I122-E163 WeakPolarHBondContact CB-O 2.91Å; I122-E163 PolarHBondContact N-O 2.94Å; N123-E163 HydrophobicContact CB-CB 3.88Å; N123-E163 PolarHBondContact N-O 3.31Å; N123-E163 PolarHBondContact ND2-OE2 3.29Å; N123-E163 PolarHBondContact O-N 2.91Å; E163-A207 HydrophobicContact CG-CB 4.37Å; E163-F211 HydrophobicContact CB-CD2 4.2Å; E163-F211 HydrophobicContact CB-CE2 3.78Å; E163-F211 HydrophobicContact CB-CZ 4.42Å
164V95.1Very high92.3Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-109.6147.3179.2-61.50000110.7R94 C95 V97 L114 R120 I121 L162 V169 L173R94-V164 CarbonylContact C-O 3.01Å; R94-V164 WeakPolarHBondContact CA-O 3.12Å; C95-V164 HydrophobicContact CB-CG2 4.14Å; C95-V164 PolarHBondContact N-O 2.97Å; C95-V164 WeakPolarHBondContact O-CG2 3.44Å; C95-V164 PolarHBondContact O-N 3.08Å; V97-V164 HydrophobicContact CG1-CG1 4.27Å; V97-V164 HydrophobicContact CG1-CG2 4.45Å; L114-V164 HydrophobicContact CD1-CG1 4.27Å; R120-V164 CarbonylContact O-C 3.46Å; R120-V164 VanDerWaalsContact O-CA 3.31Å; R120-V164 WeakPolarHBondContact O-CA 3.31Å; I121-V164 HydrophobicContact CD1-CG1 3.72Å; L162-V164 HydrophobicContact CB-CG1 4.19Å; V164-V169 HydrophobicContact CB-CG2 4.42Å; V164-V169 HydrophobicContact CG2-CG2 3.51Å; V164-L173 HydrophobicContact CG2-CD1 3.54Å
165M92.2Very high92.2Very high17 Ų1736.7 Ų36.78%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-122.9136.4176.6176.4-171.8-70.900111E93 R94 R120 I122E93-M165 VanDerWaalsContact O-CA 3.24Å; E93-M165 WeakPolarHBondContact O-CA 3.05Å; E93-M165 WeakPolarHBondContact O-CG 3.27Å; R94-M165 HydrophobicContact CG-CB 4.33Å; R94-M165 HydrophobicContact CG-CE 3.92Å; R94-M165 HydrophobicContact CG-CG 4.43Å; R120-M165 PolarHBondContact N-O 3.37Å; R120-M165 PolarHBondContact NH2-SD 3.37Å; R120-M165 VanDerWaalsContact NH2-SD 3.37Å; R120-M165 PolarHBondContact O-N 2.9Å; I122-M165 HydrophobicContact CD1-CB 3.71Å; I122-M165 HydrophobicContact CD1-CE 3.84Å; I122-M165 HydrophobicContact CD1-CG 4.48Å; I122-M165 HydrophobicContact CD1-SD 4Å; I122-M165 HydrophobicContact CG1-CB 3.41Å; I122-M165 VanDerWaalsContact CG1-CB 3.41Å; I122-M165 HydrophobicContact CG1-CE 4.06Å
166G90.5Very high92.2Very high7 Ų737.5 Ų37.57%0.07221%0.205CC..  trans-177.1-178.7174.600000111.5E93E93-G166 WeakPolarHBondContact CB-O 3.27Å; E93-G166 PolarHBondContact O-N 3.03Å
167T87.4Confident92.3Very high73 Ų7335.6 Ų35.645%0.44818%0.183SC..THydrogen-bonded Turntrans-73129.6173.7-520000110V169T167-V169 PolarHBondContact O-N 3.08Å; T167-V169 VanDerWaalsContact O-N 3.12Å
168N87.5Confident92.1Very high104 Ų10432.4 Ų32.456%0.55617%0.169SC*.THydrogen-bonded Turntrans52.633.7177.2-59.6-28.8000112.9E93 C170 S171 L172E93-N168 WeakPolarHBondContact OE2-CA 3.47Å; E93-N168 PolarHBondContact OE2-N 2.9Å; N168-C170 PolarHBondContact O-N 3.48Å; N168-S171 PolarHBondContact O-N 3.43Å; N168-L172 WeakPolarHBondContact O-CB 3.39Å; N168-L172 PolarHBondContact O-N 2.96Å
169V91.8Very high91.9Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-65.9-35.5-165.764.30000112.8E93 C95 L119 V164 T167 L173E93-V169 HydrophobicContact CB-CG1 4Å; E93-V169 HydrophobicContact CG-CG1 3.86Å; E93-V169 WeakPolarHBondContact O-CG1 3.32Å; E93-V169 PolarHBondContact OE2-N 3.25Å; C95-V169 HydrophobicContact CB-CG1 3.82Å; C95-V169 HydrophobicContact CB-CG2 4.2Å; L119-V169 HydrophobicContact CD1-CG2 4.17Å; L119-V169 HydrophobicContact CD2-CB 4.31Å; L119-V169 HydrophobicContact CD2-CG2 3.76Å; V164-V169 HydrophobicContact CB-CG2 4.42Å; V164-V169 HydrophobicContact CG2-CG2 3.51Å; T167-V169 PolarHBondContact O-N 3.08Å; T167-V169 VanDerWaalsContact O-N 3.12Å; V169-L173 HydrophobicContact CG2-CD1 4.05Å; V169-L173 HydrophobicContact CG2-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.43Å; V169-L173 PolarHBondContact O-N 3.43Å
170C91Very high91.3Very high3 Ų335.5 Ų35.52%0.0220%0.196CC..Hα-helixtrans-63.8-46.9176.5-62.70000110.7E93 C95 N168 Y174E93-C170 WeakPolarHBondContact OE1-CB 3.33Å; E93-C170 PolarHBondContact OE1-N 3.17Å; E93-C170 PolarHBondContact OE1-SG 2.94Å; C95-C170 HydrophobicContact CB-CB 4.49Å; C95-C170 VanDerWaalsContact CB-SG 3.59Å; N168-C170 PolarHBondContact O-N 3.48Å; C170-Y174 WeakPolarHBondContact O-CB 3.26Å; C170-Y174 PolarHBondContact O-N 2.91Å
171S90.5Very high90.1Very high79 Ų7945.9 Ų45.955%0.55224%0.241SC*.Hα-helixtrans-65.7-42.6179.4-57.30000112N168 Y174 E175N168-S171 PolarHBondContact O-N 3.43Å; S171-Y174 PolarHBondContact O-N 2.98Å; S171-E175 WeakPolarHBondContact O-CB 3.44Å; S171-E175 PolarHBondContact O-N 3.42Å
172L91.7Very high88.9Confident60 Ų6046.8 Ų46.831%0.31425%0.25SS..Hα-helixtrans-63.1-42.8179179148.9000112K117 L119 N168 F176K117-L172 HydrophobicContact CD-CD2 4.37Å; L119-L172 HydrophobicContact CD1-CD2 3.94Å; N168-L172 WeakPolarHBondContact O-CB 3.39Å; N168-L172 PolarHBondContact O-N 2.96Å; L172-F176 WeakPolarHBondContact O-CB 3.2Å; L172-F176 PolarHBondContact O-N 2.77Å; L172-F176 VanDerWaalsContact O-N 3.08Å
173L93.4Very high87.2Confident1 Ų151.4 Ų51.41%0.00528%0.283CS..Hα-helixtrans-70.6-41.2175.9-73.2177.9000112.1C95 V97 L114 L119 V164 V169 E175 F176 I177 M195C95-L173 HydrophobicContact CB-CD1 3.98Å; V97-L173 HydrophobicContact CB-CD1 3.99Å; V97-L173 HydrophobicContact CG1-CD1 4.17Å; V97-L173 HydrophobicContact CG2-CD1 4.39Å; L114-L173 HydrophobicContact CD2-CD2 3.7Å; L119-L173 HydrophobicContact CD1-CD2 4.23Å; V164-L173 HydrophobicContact CG2-CD1 3.54Å; V169-L173 HydrophobicContact CG2-CD1 4.05Å; V169-L173 HydrophobicContact CG2-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CB 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.43Å; V169-L173 PolarHBondContact O-N 3.43Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 3.2Å; L173-F176 PolarHBondContact O-N 3.3Å; L173-F176 VanDerWaalsContact O-N 3.17Å; L173-I177 WeakPolarHBondContact O-CB 3.44Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.39Å; L173-I177 PolarHBondContact O-N 2.71Å; L173-M195 HydrophobicContact CB-CE 4.47Å; L173-M195 HydrophobicContact CB-SD 3.48Å; L173-M195 WeakPolarHBondContact CB-SD 3.35Å; L173-M195 HydrophobicContact CD1-SD 4.38Å
174Y90.9Very high85.8Confident79 Ų7953 Ų5331%0.3129%0.294SS..Hα-helixtrans-58.7-46.3177.9-176-89.8000111.3C170 S171 I177 Y178 G182C170-Y174 WeakPolarHBondContact O-CB 3.26Å; C170-Y174 PolarHBondContact O-N 2.91Å; S171-Y174 PolarHBondContact O-N 2.98Å; Y174-I177 PolarHBondContact O-N 2.91Å; Y174-Y178 AromaticContact CD2-CD2 3.53Å; Y174-Y178 HydrophobicContact CD2-CD2 3.53Å; Y174-Y178 HydrophobicContact CD2-CE2 4.01Å; Y174-Y178 AromaticContact CE2-CD2 3.59Å; Y174-Y178 HydrophobicContact CE2-CD2 3.59Å; Y174-Y178 HydrophobicContact CE2-CE2 4.17Å; Y174-Y178 HydrophobicContact CE2-CG 4.38Å; Y174-Y178 HydrophobicContact CG-CD2 4.07Å; Y174-Y178 WeakPolarHBondContact O-CB 3.33Å; Y174-Y178 PolarHBondContact O-N 3.25Å; Y174-G182 VanDerWaalsContact OH-CA 3.3Å; Y174-G182 WeakPolarHBondContact OH-CA 3.45Å
175E91.2Very high84.6Confident117 Ų11761.1 Ų61.155%0.54733%0.333SS..Hα-helixtrans-65-39.2175.5-175.3176.217700112.1S171 L173 I177 G179S171-E175 WeakPolarHBondContact O-CB 3.44Å; S171-E175 PolarHBondContact O-N 3.42Å; L173-E175 VanDerWaalsContact C-N 3.33Å; L173-E175 PolarHBondContact O-N 3.2Å; E175-I177 PolarHBondContact O-N 2.86Å; E175-G179 CarbonylContact O-C 3.55Å; E175-G179 WeakPolarHBondContact O-CA 3.44Å; E175-G179 PolarHBondContact O-N 3.18Å
176F91Very high84Confident65 Ų6564.1 Ų64.129%0.28535%0.349SS..Hα-helixtrans-63.2-39.6177.1178.6-98.6000112.9M113 L172 L173 L193M113-F176 HydrophobicContact CE-CE1 3.93Å; M113-F176 HydrophobicContact CE-CZ 3.6Å; M113-F176 HydrophobicContact SD-CE1 4.2Å; M113-F176 HydrophobicContact SD-CE2 3.76Å; M113-F176 HydrophobicContact SD-CZ 3.32Å; M113-F176 WeakPolarHBondContact SD-CZ 3.41Å; L172-F176 WeakPolarHBondContact O-CB 3.2Å; L172-F176 PolarHBondContact O-N 2.77Å; L172-F176 VanDerWaalsContact O-N 3.08Å; L173-F176 PolarHBondContact O-N 3.3Å; L173-F176 VanDerWaalsContact O-N 3.17Å; F176-L193 HydrophobicContact CD1-CD1 4.2Å; F176-L193 HydrophobicContact CE1-CD1 3.97Å
177I91.5Very high83.7Confident9 Ų964.8 Ų64.85%0.04635%0.351CS..Hα-helixtrans-85-46.4-174.5-65169.9000111.4V97 L173 Y174 E175 S189 N190 L193 M195V97-I177 HydrophobicContact CG2-CD1 3.89Å; L173-I177 WeakPolarHBondContact O-CB 3.44Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.39Å; L173-I177 PolarHBondContact O-N 2.71Å; Y174-I177 PolarHBondContact O-N 2.91Å; E175-I177 PolarHBondContact O-N 2.86Å; I177-S189 PolarHBondContact O-OG 3.35Å; I177-N190 HydrophobicContact CB-CB 4.44Å; I177-N190 HydrophobicContact CG2-CB 3.84Å; I177-L193 HydrophobicContact CD1-CB 3.77Å; I177-L193 HydrophobicContact CG1-CB 3.89Å; I177-L193 WeakPolarHBondContact CG2-O 3.46Å; I177-M195 HydrophobicContact CD1-CG 3.61Å; I177-M195 HydrophobicContact CD1-SD 3.76Å
178Y89.8Confident83.7Confident14 Ų1463.2 Ų63.26%0.05534%0.339CS..Hα-helixtrans-108.5-0.2-169.8-55.3-63.9000114Y174 S183 N186 I187 S189 M195Y174-Y178 AromaticContact CD2-CD2 3.53Å; Y174-Y178 HydrophobicContact CD2-CD2 3.53Å; Y174-Y178 HydrophobicContact CD2-CE2 4.01Å; Y174-Y178 AromaticContact CE2-CD2 3.59Å; Y174-Y178 HydrophobicContact CE2-CD2 3.59Å; Y174-Y178 HydrophobicContact CE2-CE2 4.17Å; Y174-Y178 HydrophobicContact CE2-CG 4.38Å; Y174-Y178 HydrophobicContact CG-CD2 4.07Å; Y174-Y178 WeakPolarHBondContact O-CB 3.33Å; Y174-Y178 PolarHBondContact O-N 3.25Å; Y178-S183 PolarHBondContact O-N 3.41Å; Y178-S183 VanDerWaalsContact O-N 3.08Å; Y178-S183 PolarHBondContact O-OG 3.06Å; Y178-N186 WeakPolarHBondContact CE1-O 3.44Å; Y178-I187 WeakPolarHBondContact CE1-O 3.34Å; Y178-I187 PolarHBondContact OH-O 3.1Å; Y178-S189 WeakPolarHBondContact CD1-OG 3.33Å; Y178-M195 HydrophobicContact CE2-CB 4.31Å; Y178-M195 PolarHBondContact OH-N 2.8Å; Y178-M195 VanDerWaalsContact OH-N 3.08Å; Y178-M195 PolarHBondContact OH-O 3.28Å; Y178-M195 VanDerWaalsContact OH-O 3.1Å
179G86.9Confident83.6Confident18 Ų1860.4 Ų60.419%0.18633%0.328CS..THydrogen-bonded Turntrans75.5179.6-177.400000113.8E175 K181 G182E175-G179 CarbonylContact O-C 3.55Å; E175-G179 WeakPolarHBondContact O-CA 3.44Å; E175-G179 PolarHBondContact O-N 3.18Å; G179-K181 PolarHBondContact O-N 2.88Å; G179-G182 PolarHBondContact O-N 3.36Å
180P82.4Confident83.6Confident93 Ų9361.6 Ų61.660%0.60433%0.334SS*.THydrogen-bonded Turntrans-58.9127.5179.8-21.132.2000111.2G182P180-G182 VanDerWaalsContact C-N 3.29Å; P180-G182 PolarHBondContact O-N 3.48Å
181K70.9Confident83.6Confident217 Ų21765.4 Ų65.494%0.94336%0.359SS*.THydrogen-bonded Turntrans63.418.2179.3-55.8179.8176.61780116.4G179G179-K181 PolarHBondContact O-N 2.88Å
182G69.1Low83.9Confident19 Ų1962.9 Ų62.920%0.19634%0.339CS..THydrogen-bonded Turntrans73.146.5177.300000112.6Y174 G179 P180 S184Y174-G182 VanDerWaalsContact OH-CA 3.3Å; Y174-G182 WeakPolarHBondContact OH-CA 3.45Å; G179-G182 PolarHBondContact O-N 3.36Å; P180-G182 VanDerWaalsContact C-N 3.29Å; P180-G182 PolarHBondContact O-N 3.48Å; G182-S184 PolarHBondContact O-N 2.75Å; G182-S184 VanDerWaalsContact O-N 3.1Å
183S62.6Low84.1Confident98 Ų9860 Ų6069%0.68532%0.324SS*.  trans-61.5-15.6-176.761.60000114.8Y178Y178-S183 PolarHBondContact O-N 3.41Å; Y178-S183 VanDerWaalsContact O-N 3.08Å; Y178-S183 PolarHBondContact O-OG 3.06Å
184S64Low84.1Confident39 Ų3960 Ų6027%0.27332%0.324SS..  trans-115.2126.2175.6-161.10000111.5G182 N186 S189G182-S184 PolarHBondContact O-N 2.75Å; G182-S184 VanDerWaalsContact O-N 3.1Å; S184-N186 VanDerWaalsContact C-N 3.3Å; S184-S189 WeakPolarHBondContact OG-CB 3.38Å
185E70.7Confident84.1Confident172 Ų17256.5 Ų56.580%0.80431%0.31SS*.  trans-80-13.9171.4-63.9-174.3169.200112.5I187E185-I187 PolarHBondContact O-N 3.1Å
186N79.8Confident83.9Confident79 Ų7951.3 Ų51.342%0.42229%0.287SS..  trans-81.4117.8-179.7-177.113.4000110.4Y178 S184 L188 S189Y178-N186 WeakPolarHBondContact CE1-O 3.44Å; S184-N186 VanDerWaalsContact C-N 3.3Å; N186-L188 PolarHBondContact O-N 3.21Å; N186-L188 PolarHBondContact OD1-N 3.09Å; N186-L188 VanDerWaalsContact OD1-N 3.16Å; N186-S189 WeakPolarHBondContact O-CB 3.27Å; N186-S189 PolarHBondContact O-N 2.86Å; N186-S189 PolarHBondContact O-OG 3Å
187I84.2Confident83.7Confident22 Ų2248.4 Ų48.411%0.11327%0.274CS..THydrogen-bonded Turntrans-58.3-33.7178.5-70.7169000112.1T142 L150 Y178 E185 F194T142-I187 HydrophobicContact CG2-CD1 3.38Å; L150-I187 HydrophobicContact CD1-CD1 3.83Å; L150-I187 HydrophobicContact CD1-CG2 4.47Å; L150-I187 HydrophobicContact CD2-CB 4.27Å; L150-I187 HydrophobicContact CD2-CG2 3.97Å; Y178-I187 WeakPolarHBondContact CE1-O 3.34Å; Y178-I187 PolarHBondContact OH-O 3.1Å; E185-I187 PolarHBondContact O-N 3.1Å; I187-F194 HydrophobicContact CG2-CB 4.25Å; I187-F194 HydrophobicContact CG2-CD2 3.93Å; I187-F194 HydrophobicContact CG2-CG 4.49Å; I187-F194 VanDerWaalsContact O-CB 3.29Å; I187-F194 WeakPolarHBondContact O-CB 3.4Å
188L86.4Confident83.1Confident40 Ų4051.2 Ų51.221%0.20930%0.295CS..THydrogen-bonded Turntrans-97.129.5177.9-59.8178.3000112.6L150 E153 N186 N190 F194L150-L188 HydrophobicContact CD2-CD1 4Å; L150-L188 HydrophobicContact CD2-CD2 4.2Å; L150-L188 HydrophobicContact CD2-CG 3.84Å; E153-L188 HydrophobicContact CB-CD1 3.67Å; E153-L188 HydrophobicContact CG-CD1 3.93Å; N186-L188 PolarHBondContact O-N 3.21Å; N186-L188 PolarHBondContact OD1-N 3.09Å; N186-L188 VanDerWaalsContact OD1-N 3.16Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 3.49Å; L188-F194 HydrophobicContact CD2-CB 3.93Å; L188-F194 HydrophobicContact CD2-CD1 3.69Å; L188-F194 HydrophobicContact CD2-CD2 4.14Å; L188-F194 HydrophobicContact CD2-CE1 4.18Å; L188-F194 HydrophobicContact CD2-CG 3.66Å
189S86.1Confident82.8Confident44 Ų4453.9 Ų53.931%0.30831%0.31SS..  trans-64.6-33.7179.859.90000113.4I177 Y178 S184 N186I177-S189 PolarHBondContact O-OG 3.35Å; Y178-S189 WeakPolarHBondContact CD1-OG 3.33Å; S184-S189 WeakPolarHBondContact OG-CB 3.38Å; N186-S189 WeakPolarHBondContact O-CB 3.27Å; N186-S189 PolarHBondContact O-N 2.86Å; N186-S189 PolarHBondContact O-OG 3Å
190N91.1Very high82.7Confident25 Ų2556.1 Ų56.113%0.13432%0.32CS..SBendtrans-95.1131.4176.5-174.6-61.5000109.1I177 L188 D192 L193I177-N190 HydrophobicContact CB-CB 4.44Å; I177-N190 HydrophobicContact CG2-CB 3.84Å; L188-N190 VanDerWaalsContact C-N 3.29Å; L188-N190 PolarHBondContact O-N 3.49Å; N190-D192 VanDerWaalsContact C-N 3.31Å; N190-D192 PolarHBondContact O-N 2.8Å; N190-D192 WeakPolarHBondContact OD1-CB 3.45Å; N190-D192 PolarHBondContact OD1-N 3.36Å; N190-L193 WeakPolarHBondContact CB-O 3.44Å; N190-L193 PolarHBondContact OD1-N 3.09Å
191P92.2Very high82.8Confident84 Ų8453.6 Ų53.655%0.54531%0.31SS..SBendtrans-71.1-25.4-177.829.2-35.5000113.1P100 S103P100-P191 WeakPolarHBondContact CG-O 3.41Å; S103-P191 VanDerWaalsContact CB-O 3.31Å; S103-P191 WeakPolarHBondContact CB-O 3.44Å; S103-P191 PolarHBondContact OG-O 3.01Å
192D95.4Very high83.6Confident25 Ų2544.8 Ų44.813%0.13427%0.274CS..SBendtrans-95.7-34.7-169.2-69.9-26.1000112.7P100 R106 I110 N190P100-D192 WeakPolarHBondContact CD-O 3.3Å; R106-D192 IonicContact CZ-OD1 3.25Å; R106-D192 IonicContact NH1-OD1 2.79Å; R106-D192 PolarHBondContact NH1-OD1 3.38Å; R106-D192 IonicContact NH1-OD2 3.42Å; R106-D192 PolarHBondContact NH1-OD2 3.02Å; I110-D192 HydrophobicContact CD1-CB 3.76Å; I110-D192 HydrophobicContact CG1-CB 3.95Å; N190-D192 VanDerWaalsContact C-N 3.31Å; N190-D192 PolarHBondContact O-N 2.8Å; N190-D192 WeakPolarHBondContact OD1-CB 3.45Å; N190-D192 PolarHBondContact OD1-N 3.36Å
193L95.9Very high84.5Confident0 Ų044 Ų440%027%0.265CS..  trans-141.5147.1-176.4-69172.8000111.9V97 F98 I99 I110 L114 F176 I177 N190V97-L193 HydrophobicContact CG1-CD2 4.36Å; V97-L193 HydrophobicContact CG2-CB 3.96Å; V97-L193 HydrophobicContact CG2-CD1 4.37Å; V97-L193 HydrophobicContact CG2-CD2 3.81Å; V97-L193 HydrophobicContact CG2-CG 4.27Å; F98-L193 CarbonylContact O-C 3.54Å; F98-L193 VanDerWaalsContact O-CA 3.3Å; F98-L193 WeakPolarHBondContact O-CA 3.49Å; I99-L193 HydrophobicContact CG1-CD2 3.8Å; I110-L193 HydrophobicContact CG2-CD1 4.09Å; I110-L193 HydrophobicContact CG2-CD2 3.57Å; I110-L193 HydrophobicContact CG2-CG 3.77Å; L114-L193 HydrophobicContact CD2-CD1 4.07Å; F176-L193 HydrophobicContact CD1-CD1 4.2Å; F176-L193 HydrophobicContact CE1-CD1 3.97Å; I177-L193 HydrophobicContact CD1-CB 3.77Å; I177-L193 HydrophobicContact CG1-CB 3.89Å; I177-L193 WeakPolarHBondContact CG2-O 3.46Å; N190-L193 WeakPolarHBondContact CB-O 3.44Å; N190-L193 PolarHBondContact OD1-N 3.09Å
194F94Very high85.7Confident0 Ų043.4 Ų43.40%025%0.254CS..BIsolated β-bridgetrans-140.6157.9166.572.2-85000111.7V97 F98 P100 L154 I187 L188 I196V97-F194 WeakPolarHBondContact CG2-O 3.34Å; F98-F194 HydrophobicContact CB-CD1 3.7Å; F98-F194 HydrophobicContact CB-CD2 4.17Å; F98-F194 HydrophobicContact CB-CE1 3.23Å; F98-F194 HydrophobicContact CB-CE2 3.74Å; F98-F194 HydrophobicContact CB-CG 4.15Å; F98-F194 HydrophobicContact CB-CZ 3.26Å; F98-F194 HydrophobicContact CD1-CZ 4.36Å; F98-F194 HydrophobicContact CD2-CD2 4.15Å; F98-F194 AromaticContact CD2-CE2 3.73Å; F98-F194 HydrophobicContact CD2-CE2 3.73Å; F98-F194 HydrophobicContact CD2-CZ 4.07Å; F98-F194 HydrophobicContact CG-CD2 4.48Å; F98-F194 HydrophobicContact CG-CE1 4.16Å; F98-F194 AromaticContact CG-CE2 3.84Å; F98-F194 HydrophobicContact CG-CE2 3.84Å; F98-F194 AromaticContact CG-CZ 3.66Å; F98-F194 HydrophobicContact CG-CZ 3.66Å; F98-F194 PolarHBondContact N-O 3.1Å; F98-F194 PolarHBondContact O-N 3.38Å; P100-F194 HydrophobicContact CB-CD1 3.85Å; P100-F194 HydrophobicContact CB-CE1 3.83Å; P100-F194 HydrophobicContact CG-CD1 4.3Å; L154-F194 HydrophobicContact CD1-CE2 3.94Å; L154-F194 HydrophobicContact CD1-CZ 3.7Å; L154-F194 HydrophobicContact CD2-CE1 4.09Å; L154-F194 HydrophobicContact CD2-CZ 3.9Å; L154-F194 HydrophobicContact CG-CZ 4.49Å; I187-F194 HydrophobicContact CG2-CB 4.25Å; I187-F194 HydrophobicContact CG2-CD2 3.93Å; I187-F194 HydrophobicContact CG2-CG 4.49Å; I187-F194 VanDerWaalsContact O-CB 3.29Å; I187-F194 WeakPolarHBondContact O-CB 3.4Å; L188-F194 HydrophobicContact CD2-CB 3.93Å; L188-F194 HydrophobicContact CD2-CD1 3.69Å; L188-F194 HydrophobicContact CD2-CD2 4.14Å; L188-F194 HydrophobicContact CD2-CE1 4.18Å; L188-F194 HydrophobicContact CD2-CG 3.66Å; F194-I196 HydrophobicContact CD2-CG1 4.39Å; F194-I196 HydrophobicContact CE2-CD1 4.26Å; F194-I196 HydrophobicContact CE2-CG1 4.05Å
195M91.2Very high86.8Confident6 Ų646.8 Ų46.83%0.0326%0.263CS..  trans-124.5139.7176.4-68.1170.858.400109.8C95 V97 L173 I177 Y178 T197C95-M195 WeakPolarHBondContact SG-CE 3.33Å; V97-M195 HydrophobicContact CB-CG 4.26Å; V97-M195 HydrophobicContact CG2-CG 3.88Å; L173-M195 HydrophobicContact CB-CE 4.47Å; L173-M195 HydrophobicContact CB-SD 3.48Å; L173-M195 WeakPolarHBondContact CB-SD 3.35Å; L173-M195 HydrophobicContact CD1-SD 4.38Å; I177-M195 HydrophobicContact CD1-CG 3.61Å; I177-M195 HydrophobicContact CD1-SD 3.76Å; Y178-M195 HydrophobicContact CE2-CB 4.31Å; Y178-M195 PolarHBondContact OH-N 2.8Å; Y178-M195 VanDerWaalsContact OH-N 3.08Å; Y178-M195 PolarHBondContact OH-O 3.28Å; Y178-M195 VanDerWaalsContact OH-O 3.1Å; M195-T197 WeakPolarHBondContact CE-O 3.4Å
196I87.7Confident87.6Confident9 Ų938.6 Ų38.65%0.04623%0.225CC..SBendtrans-92.5-31.6171.6-65.9170.7000110.2F98 L137 L138 Y141 F194F98-I196 HydrophobicContact CD2-CD1 4.35Å; F98-I196 HydrophobicContact CD2-CG1 4.4Å; F98-I196 HydrophobicContact CE2-CB 4.36Å; F98-I196 HydrophobicContact CE2-CD1 3.71Å; F98-I196 HydrophobicContact CE2-CG1 3.97Å; F98-I196 HydrophobicContact CZ-CD1 3.97Å; L137-I196 HydrophobicContact CD2-CD1 3.69Å; L137-I196 HydrophobicContact CG-CD1 4.15Å; L138-I196 HydrophobicContact CD2-CD1 3.86Å; L138-I196 HydrophobicContact CD2-CG1 4.02Å; L138-I196 HydrophobicContact CD2-CG2 3.95Å; Y141-I196 HydrophobicContact CD2-CG2 4.45Å; F194-I196 HydrophobicContact CD2-CG1 4.39Å; F194-I196 HydrophobicContact CE2-CD1 4.26Å; F194-I196 HydrophobicContact CE2-CG1 4.05Å
197T84.8Confident88Confident4 Ų435 Ų353%0.02521%0.206CC..  trans-120.3143.9179.365.40000109.5Y141 M195 D202 S203 Q206Y141-T197 HydrophobicContact CD1-CG2 3.76Å; Y141-T197 HydrophobicContact CD2-CG2 3.92Å; Y141-T197 HydrophobicContact CE1-CG2 4.18Å; Y141-T197 HydrophobicContact CE2-CG2 4.28Å; Y141-T197 HydrophobicContact CG-CG2 3.62Å; M195-T197 WeakPolarHBondContact CE-O 3.4Å; T197-D202 HydrophobicContact CG2-CB 3.86Å; T197-S203 WeakPolarHBondContact OG1-CA 3.21Å; T197-S203 PolarHBondContact OG1-N 2.94Å; T197-S203 PolarHBondContact OG1-OG 3.36Å; T197-Q206 HydrophobicContact CG2-CB 4.46Å; T197-Q206 PolarHBondContact OG1-OE1 2.95Å
198S79.5Confident88.1Confident68 Ų6838.7 Ų38.748%0.47623%0.226SC..  trans-113-0.9-177.957.60000114.1
199N84.2Confident88.1Confident69 Ų6940.5 Ų40.537%0.36923%0.233SC..SBendtrans-125.4154.6179.573.979000111.8G201 D202 S203N199-G201 PolarHBondContact O-N 2.92Å; N199-G201 PolarHBondContact OD1-N 3.38Å; N199-D202 PolarHBondContact ND2-OD2 3.05Å; N199-D202 PolarHBondContact O-N 2.93Å; N199-D202 PolarHBondContact OD1-N 2.89Å; N199-D202 PolarHBondContact OD1-OD2 3.38Å; N199-S203 WeakPolarHBondContact O-CB 3.16Å; N199-S203 PolarHBondContact O-N 3.27Å; N199-S203 PolarHBondContact O-OG 3.11Å
200V84.3Confident88.1Confident66 Ų6638.4 Ų38.440%0.422%0.218SC..Hα-helixtrans-59.1-42.8-174.1-170.10000112.7E93 D202 S203 L204E93-V200 HydrophobicContact CG-CB 4.39Å; E93-V200 HydrophobicContact CG-CG1 4.05Å; E93-V200 HydrophobicContact CG-CG2 3.44Å; E93-V200 VanDerWaalsContact CG-CG2 3.44Å; E93-V200 WeakPolarHBondContact OE1-CG2 3.34Å; V200-D202 PolarHBondContact O-N 3.16Å; V200-S203 PolarHBondContact O-N 3.15Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 PolarHBondContact O-N 3.44Å
201G85.6Confident87.9Confident39 Ų3938.6 Ų38.640%0.40222%0.218SC..Hα-helixtrans-65.7-41.5-175.400000112.2N199 L204 K205N199-G201 PolarHBondContact O-N 2.92Å; N199-G201 PolarHBondContact OD1-N 3.38Å; G201-L204 PolarHBondContact O-N 2.92Å; G201-K205 PolarHBondContact O-N 3.26Å
202D87.4Confident87.1Confident33 Ų3335.6 Ų35.618%0.17620%0.202CC..Hα-helixtrans-78-35.8178.7-66.7-26.3000112.2Y141 T197 N199 V200 L204 K205 Q206Y141-D202 HydrophobicContact CD1-CB 3.95Å; Y141-D202 HydrophobicContact CE1-CB 3.44Å; Y141-D202 VanDerWaalsContact CE1-CB 3.44Å; T197-D202 HydrophobicContact CG2-CB 3.86Å; N199-D202 PolarHBondContact ND2-OD2 3.05Å; N199-D202 PolarHBondContact O-N 2.93Å; N199-D202 PolarHBondContact OD1-N 2.89Å; N199-D202 PolarHBondContact OD1-OD2 3.38Å; V200-D202 PolarHBondContact O-N 3.16Å; D202-L204 VanDerWaalsContact C-N 3.27Å; D202-L204 PolarHBondContact O-N 3.4Å; D202-K205 PolarHBondContact O-N 2.83Å; D202-K205 IonicContact OD1-NZ 3.75Å; D202-K205 PolarHBondContact OD1-NZ 3.48Å; D202-Q206 WeakPolarHBondContact O-CB 3.44Å; D202-Q206 PolarHBondContact O-N 2.96Å
203S88.1Confident85.3Confident1 Ų141.8 Ų41.81%0.00724%0.235CC..Hα-helixtrans-57.3-39.7168.5-87.20000112.1V96 T197 N199 V200 Q206 A207V96-S203 WeakPolarHBondContact CG2-O 3.32Å; V96-S203 PolarHBondContact N-OG 3.04Å; T197-S203 WeakPolarHBondContact OG1-CA 3.21Å; T197-S203 PolarHBondContact OG1-N 2.94Å; T197-S203 PolarHBondContact OG1-OG 3.36Å; N199-S203 WeakPolarHBondContact O-CB 3.16Å; N199-S203 PolarHBondContact O-N 3.27Å; N199-S203 PolarHBondContact O-OG 3.11Å; V200-S203 PolarHBondContact O-N 3.15Å; S203-Q206 PolarHBondContact O-N 3.08Å; S203-A207 WeakPolarHBondContact O-CB 3.38Å; S203-A207 PolarHBondContact O-N 3.1Å
204L86.7Confident82.9Confident87 Ų8746.2 Ų46.246%0.45526%0.264SS..Hα-helixtrans-65-43.9176-179.662.5000112.3V200 G201 D202 Q206 A207 N208V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 PolarHBondContact O-N 3.44Å; G201-L204 PolarHBondContact O-N 2.92Å; D202-L204 VanDerWaalsContact C-N 3.27Å; D202-L204 PolarHBondContact O-N 3.4Å; L204-Q206 VanDerWaalsContact C-N 3.29Å; L204-Q206 PolarHBondContact O-N 3.44Å; L204-A207 PolarHBondContact O-N 3.39Å; L204-N208 PolarHBondContact O-N 3.34Å; L204-N208 PolarHBondContact O-ND2 2.9Å
205K86.5Confident80.6Confident109 Ų10946.6 Ų46.647%0.47427%0.268SS..Hα-helixtrans-61.7-41.8175.1-65.4170.3-166.1155.90110.9Y141 G201 D202 N208 K209Y141-K205 WeakPolarHBondContact OH-CD 3.38Å; G201-K205 PolarHBondContact O-N 3.26Å; D202-K205 PolarHBondContact O-N 2.83Å; D202-K205 IonicContact OD1-NZ 3.75Å; D202-K205 PolarHBondContact OD1-NZ 3.48Å; K205-N208 PolarHBondContact O-N 2.82Å; K205-K209 PolarHBondContact O-N 3.23Å
206Q87.9Confident78.8Confident1 Ų146.4 Ų46.41%0.00527%0.267CS..Hα-helixtrans-63.8-44.6177.1179.9165.952.400111.6V96 F98 L137 T197 D202 S203 L204 N208 K209 I210V96-Q206 HydrophobicContact CB-CG 4.18Å; V96-Q206 HydrophobicContact CG1-CG 4.02Å; V96-Q206 HydrophobicContact CG2-CB 4.39Å; V96-Q206 HydrophobicContact CG2-CG 4.27Å; F98-Q206 HydrophobicContact CZ-CG 4.49Å; L137-Q206 HydrophobicContact CD1-CG 3.89Å; T197-Q206 HydrophobicContact CG2-CB 4.46Å; T197-Q206 PolarHBondContact OG1-OE1 2.95Å; D202-Q206 WeakPolarHBondContact O-CB 3.44Å; D202-Q206 PolarHBondContact O-N 2.96Å; S203-Q206 PolarHBondContact O-N 3.08Å; L204-Q206 VanDerWaalsContact C-N 3.29Å; L204-Q206 PolarHBondContact O-N 3.44Å; Q206-N208 VanDerWaalsContact C-N 3.34Å; Q206-N208 PolarHBondContact O-N 3.24Å; Q206-K209 WeakPolarHBondContact O-CB 3.08Å; Q206-K209 PolarHBondContact O-N 3.42Å; Q206-I210 HydrophobicContact CG-CD1 3.6Å; Q206-I210 HydrophobicContact CG-CG1 4.47Å; Q206-I210 WeakPolarHBondContact O-CG1 3.44Å; Q206-I210 PolarHBondContact O-N 3.41Å
207A88.7Confident77.1Confident3 Ų349 Ų493%0.02528%0.284CS..Hα-helixtrans-59.9-44.6175.700000111.3V96 E163 S203 L204 K209 I210 F211 G212V96-A207 HydrophobicContact CG2-CB 3.66Å; E163-A207 HydrophobicContact CG-CB 4.37Å; S203-A207 WeakPolarHBondContact O-CB 3.38Å; S203-A207 PolarHBondContact O-N 3.1Å; L204-A207 PolarHBondContact O-N 3.39Å; A207-K209 VanDerWaalsContact C-N 3.31Å; A207-K209 PolarHBondContact O-N 3.31Å; A207-I210 PolarHBondContact O-N 3.43Å; A207-F211 HydrophobicContact CB-CD2 4.12Å; A207-F211 PolarHBondContact O-N 3.13Å; A207-G212 PolarHBondContact O-N 3.29Å
208N86.1Confident75.5Confident99 Ų9953.2 Ų53.253%0.52931%0.307SS..Hα-helixtrans-61.1-39.5176.2-74.1-23.8000112.4L204 K205 Q206 G212L204-N208 PolarHBondContact O-N 3.34Å; L204-N208 PolarHBondContact O-ND2 2.9Å; K205-N208 PolarHBondContact O-N 2.82Å; Q206-N208 VanDerWaalsContact C-N 3.34Å; Q206-N208 PolarHBondContact O-N 3.24Å; N208-G212 WeakPolarHBondContact O-CA 3.37Å; N208-G212 PolarHBondContact O-N 3.21Å; N208-G212 VanDerWaalsContact O-N 3.17Å
209K85.8Confident74.5Confident79 Ų7950.8 Ų50.834%0.34329%0.288SS..Hα-helixtrans-61-50.5173.6-74.2-178.1176.2-174.30110.5S136 L137 K205 Q206 A207 G215 F219S136-K209 PolarHBondContact O-NZ 2.93Å; L137-K209 HydrophobicContact CD1-CB 4.44Å; L137-K209 HydrophobicContact CD1-CD 4.27Å; K205-K209 PolarHBondContact O-N 3.23Å; Q206-K209 WeakPolarHBondContact O-CB 3.08Å; Q206-K209 PolarHBondContact O-N 3.42Å; A207-K209 VanDerWaalsContact C-N 3.31Å; A207-K209 PolarHBondContact O-N 3.31Å; K209-G215 WeakPolarHBondContact O-CA 3.34Å; K209-F219 VanDerWaalsContact O-CE2 3.24Å; K209-F219 WeakPolarHBondContact O-CE2 3.16Å
210I87.8Confident73.3Confident0 Ų053.3 Ų53.30%030%0.297CS..Hα-helixtrans-78.9-44.7-169.9-62.6165.7000113.9V96 F98 K125 M127 L137 A161 Q206 A207 F219V96-I210 HydrophobicContact CG1-CD1 4.02Å; F98-I210 HydrophobicContact CE1-CD1 3.72Å; F98-I210 HydrophobicContact CZ-CD1 3.54Å; K125-I210 PolarHBondContact NZ-O 2.97Å; M127-I210 HydrophobicContact SD-CG2 3.87Å; L137-I210 HydrophobicContact CD1-CD1 4.18Å; L137-I210 HydrophobicContact CD1-CG1 4.11Å; L137-I210 HydrophobicContact CD2-CD1 4.25Å; A161-I210 HydrophobicContact CB-CD1 4.49Å; A161-I210 HydrophobicContact CB-CG2 3.87Å; Q206-I210 HydrophobicContact CG-CD1 3.6Å; Q206-I210 HydrophobicContact CG-CG1 4.47Å; Q206-I210 WeakPolarHBondContact O-CG1 3.44Å; Q206-I210 PolarHBondContact O-N 3.41Å; A207-I210 PolarHBondContact O-N 3.43Å; I210-F219 HydrophobicContact CG1-CE2 4.48Å
211F86.9Confident72.2Confident29 Ų2952 Ų5213%0.12730%0.297CS..Hα-helixtrans-113.3-14.9-168.8-51.2-71.4000113.9V96 N123 K125 A161 E163 A207V96-F211 HydrophobicContact CG2-CE2 4.4Å; N123-F211 HydrophobicContact CB-CB 4.12Å; N123-F211 HydrophobicContact CB-CD1 3.57Å; N123-F211 HydrophobicContact CB-CD2 3.85Å; N123-F211 HydrophobicContact CB-CE1 3.81Å; N123-F211 HydrophobicContact CB-CE2 4.11Å; N123-F211 HydrophobicContact CB-CG 3.58Å; N123-F211 HydrophobicContact CB-CZ 4.07Å; K125-F211 HydrophobicContact CB-CD1 3.97Å; K125-F211 HydrophobicContact CB-CE1 3.62Å; A161-F211 HydrophobicContact CB-CE1 4.07Å; A161-F211 HydrophobicContact CB-CZ 3.68Å; E163-F211 HydrophobicContact CB-CD2 4.2Å; E163-F211 HydrophobicContact CB-CE2 3.78Å; E163-F211 HydrophobicContact CB-CZ 4.42Å; A207-F211 HydrophobicContact CB-CD2 4.12Å; A207-F211 PolarHBondContact O-N 3.13Å
212G75.3Confident71.4Confident21 Ų2153 Ų5322%0.21630%0.301CS..SBendtrans-66.4176-178.800000113A207 N208 P214 G215 G216A207-G212 PolarHBondContact O-N 3.29Å; N208-G212 WeakPolarHBondContact O-CA 3.37Å; N208-G212 PolarHBondContact O-N 3.21Å; N208-G212 VanDerWaalsContact O-N 3.17Å; G212-P214 CarbonylContact O-C 3.57Å; G212-G215 CarbonylContact O-C 3.55Å; G212-G215 VanDerWaalsContact O-C 3.28Å; G212-G215 WeakPolarHBondContact O-CA 3.49Å; G212-G215 PolarHBondContact O-N 3.46Å; G212-G216 PolarHBondContact O-N 2.59Å
213N57.5Low71Confident154 Ų15452.1 Ų52.182%0.82430%0.299SS*.THydrogen-bonded Turntrans-102.4116167.7-81.8-12.9000108.7
214P45.4Very low70.7Confident94 Ų9456.6 Ų56.661%0.6132%0.322SS*.THydrogen-bonded Turncis-102.126.516.140.5-34.3000114.2G212 G216 P217G212-P214 CarbonylContact O-C 3.57Å; P214-G216 PolarHBondContact O-N 2.69Å; P214-P217 HydrophobicContact CB-CG 4.16Å; P214-P217 WeakPolarHBondContact O-CD 3.43Å; P214-P217 WeakPolarHBondContact O-CG 3.4Å
215G44.6Very low70.4Confident8 Ų854.5 Ų54.58%0.08231%0.311CS..Hα-helixtrans-56.8-23.3170.100000114.6K125 K209 G212 F219K125-G215 PolarHBondContact NZ-O 2.92Å; K209-G215 WeakPolarHBondContact O-CA 3.34Å; G212-G215 CarbonylContact O-C 3.55Å; G212-G215 VanDerWaalsContact O-C 3.28Å; G212-G215 WeakPolarHBondContact O-CA 3.49Å; G212-G215 PolarHBondContact O-N 3.46Å; G215-F219 VanDerWaalsContact O-CD2 3.3Å; G215-F219 WeakPolarHBondContact O-CD2 3.28Å
216G54.9Low70.3Confident2 Ų256.8 Ų56.82%0.02132%0.321CS..Hα-helixtrans-55.2-57.2173.900000115K125 G212 P214 N218K125-G216 PolarHBondContact NZ-O 3.14Å; G212-G216 PolarHBondContact O-N 2.59Å; P214-G216 PolarHBondContact O-N 2.69Å; G216-N218 PolarHBondContact O-N 3.09Å
217P50.6Low70.4Confident62 Ų6263.7 Ų63.740%0.40336%0.358SS..Hα-helixtrans-70.8-26-177.218.8-32.9000116P214P214-P217 HydrophobicContact CB-CG 4.16Å; P214-P217 WeakPolarHBondContact O-CD 3.43Å; P214-P217 WeakPolarHBondContact O-CG 3.4Å
218N51.3Low70.7Confident94 Ų9464 Ų6450%0.50336%0.36SS..Hα-helixtrans-80.4-18.5-169-68.6-22000115.1G216G216-N218 PolarHBondContact O-N 3.09Å
219F58.9Low71.1Confident17 Ų1759.3 Ų59.38%0.07534%0.335CS..SBendtrans-101.695.2176.4-60.2-75.8000109.3K125 M127 F129 E133 K209 I210 G215 G221K125-F219 WeakPolarHBondContact CE-O 3.24Å; M127-F219 HydrophobicContact CB-CB 4.1Å; M127-F219 HydrophobicContact CE-CB 3.61Å; M127-F219 HydrophobicContact CE-CD1 3.18Å; M127-F219 HydrophobicContact CE-CD2 4.41Å; M127-F219 HydrophobicContact CE-CE1 3.93Å; M127-F219 HydrophobicContact CE-CG 3.45Å; M127-F219 VanDerWaalsContact CE-CG 3.45Å; M127-F219 HydrophobicContact SD-CB 4.01Å; M127-F219 HydrophobicContact SD-CD1 4.44Å; M127-F219 HydrophobicContact SD-CG 4.16Å; F129-F219 AromaticContact CD1-CD1 3.81Å; F129-F219 HydrophobicContact CD1-CD1 3.81Å; F129-F219 AromaticContact CD1-CE1 3.69Å; F129-F219 HydrophobicContact CD1-CE1 3.69Å; F129-F219 AromaticContact CE1-CD1 3.79Å; F129-F219 HydrophobicContact CE1-CD1 3.79Å; F129-F219 AromaticContact CE1-CE1 3.5Å; F129-F219 HydrophobicContact CE1-CE1 3.5Å; F129-F219 HydrophobicContact CE1-CZ 4.46Å; E133-F219 HydrophobicContact CB-CD1 4.5Å; E133-F219 HydrophobicContact CB-CE1 3.98Å; E133-F219 HydrophobicContact CG-CD1 4.33Å; E133-F219 HydrophobicContact CG-CE1 4Å; K209-F219 VanDerWaalsContact O-CE2 3.24Å; K209-F219 WeakPolarHBondContact O-CE2 3.16Å; I210-F219 HydrophobicContact CG1-CE2 4.48Å; G215-F219 VanDerWaalsContact O-CD2 3.3Å; G215-F219 WeakPolarHBondContact O-CD2 3.28Å; F219-G221 PolarHBondContact O-N 3.45Å
220H58.1Low71.7Confident122 Ų12255.6 Ų55.657%0.56532%0.318SS*.  trans-60.8106-178.6-60.6-66.5000110.9R128R128-H220 PolarHBondContact N-O 3.12Å
221G62.7Low72.1Confident38 Ų3855.6 Ų55.639%0.39232%0.318SS..  trans-90.4109.214900000106.8F219 A223F219-G221 PolarHBondContact O-N 3.45Å; G221-A223 PolarHBondContact O-N 2.91Å
222A67.3Low72.7Confident60 Ų6054.2 Ų54.250%0.49631%0.312SS..  trans-8593.2173.200000107.9
223A79.1Confident73.8Confident15 Ų1553.2 Ų53.212%0.12430%0.302CS..  trans-52.2142.3161.200000108.7G221 L225 A259 E300 V360 F364G221-A223 PolarHBondContact O-N 2.91Å; A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 HydrophobicContact CB-CD2 3.75Å; A223-L225 HydrophobicContact CB-CG 4.3Å; A223-A259 HydrophobicContact CB-CB 3.97Å; A223-E300 WeakPolarHBondContact CA-OE2 3.43Å; A223-E300 WeakPolarHBondContact CB-OE2 3.45Å; A223-V360 HydrophobicContact CB-CG1 4.47Å; A223-F364 HydrophobicContact CB-CB 3.98Å; A223-F364 HydrophobicContact CB-CD2 4.19Å; A223-F364 HydrophobicContact CB-CG 4.06Å
224L81.6Confident75.7Confident94 Ų9446.3 Ų46.349%0.49227%0.265SS..  trans-71.1-29.1-178.9-61.5-177.7000111.8K226 T228 T258 E300L224-K226 PolarHBondContact O-N 3.26Å; L224-T228 HydrophobicContact CB-CG2 3.87Å; L224-T228 HydrophobicContact CD1-CG2 4.15Å; L224-T258 HydrophobicContact CD1-CG2 3.71Å; L224-T258 HydrophobicContact CG-CG2 4.36Å; L224-E300 VanDerWaalsContact N-CD 3.28Å; L224-E300 PolarHBondContact N-OE1 3.32Å; L224-E300 PolarHBondContact N-OE2 3.06Å
225L81.8Confident78.1Confident44 Ų4442 Ų4223%0.2324%0.236CC..  trans60.9-11.8179.9-51.8176.6000115.6A223 E300 V360A223-L225 VanDerWaalsContact C-N 3.29Å; A223-L225 HydrophobicContact CB-CD2 3.75Å; A223-L225 HydrophobicContact CB-CG 4.3Å; L225-E300 WeakPolarHBondContact CA-OE1 3.35Å; L225-E300 PolarHBondContact N-OE1 3.43Å; L225-V360 HydrophobicContact CD2-CG1 3.63Å
226K83.9Confident80.5Confident157 Ų15742 Ų4268%0.68323%0.234SC*.SBendtrans-127.5141.5-177-65.2-172.3178.4-175.90110.7L224 T228L224-K226 PolarHBondContact O-N 3.26Å; K226-T228 PolarHBondContact O-N 3.37Å
227N89.9Confident82.5Confident145 Ų14542 Ų4278%0.77523%0.233SC*.SBendtrans5333.9-175.5-56.5-35000112.3V310N227-V310 WeakPolarHBondContact O-CG2 3.38Å
228T94.5Very high84.6Confident10 Ų1039.6 Ų39.66%0.06122%0.218CC..  trans-126.1172.6177.256.80000109.8L224 K226 E300 I301 D302 T356L224-T228 HydrophobicContact CB-CG2 3.87Å; L224-T228 HydrophobicContact CD1-CG2 4.15Å; K226-T228 PolarHBondContact O-N 3.37Å; T228-E300 HydrophobicContact CG2-CG 3.82Å; T228-E300 PolarHBondContact OG1-OE1 3.28Å; T228-I301 CarbonylContact C-O 3.56Å; T228-I301 WeakPolarHBondContact CA-O 3.41Å; T228-I301 VanDerWaalsContact CB-O 3.27Å; T228-I301 WeakPolarHBondContact CB-O 3.45Å; T228-D302 HydrophobicContact CG2-CB 3.93Å; T228-T356 WeakPolarHBondContact O-CG2 3.46Å
229T96.3Very high86.6Confident1 Ų136.4 Ų36.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-138.2158.2168.6-170.30000112.3I301 V310 F314 T356T229-I301 HydrophobicContact CG2-CB 3.96Å; T229-I301 PolarHBondContact N-O 2.9Å; T229-I301 PolarHBondContact O-N 3.27Å; T229-V310 HydrophobicContact CG2-CG1 4.05Å; T229-F314 HydrophobicContact CG2-CB 3.69Å; T229-F314 HydrophobicContact CG2-CD1 3.78Å; T229-F314 HydrophobicContact CG2-CG 3.82Å; T229-T356 VanDerWaalsContact CA-CG2 3.41Å
230L96.5Very high88.2Confident0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-86.4133.7175.4-176.471.6000110.6V232 F273 A298 E359 V360 F363 F364L230-V232 HydrophobicContact CD1-CG2 4.22Å; L230-V232 HydrophobicContact CD2-CG2 3.71Å; L230-V232 HydrophobicContact CG-CG2 3.92Å; L230-F273 HydrophobicContact CD2-CE2 3.76Å; L230-F273 HydrophobicContact CD2-CZ 3.8Å; L230-A298 HydrophobicContact CD1-CB 4.19Å; L230-E359 HydrophobicContact CB-CB 4.17Å; L230-E359 HydrophobicContact CD2-CB 3.68Å; L230-V360 HydrophobicContact CB-CG2 3.83Å; L230-F363 HydrophobicContact CD1-CD2 4.02Å; L230-F363 HydrophobicContact CD1-CG 4.5Å; L230-F363 HydrophobicContact CD2-CD2 3.51Å; L230-F363 HydrophobicContact CD2-CE2 3.65Å; L230-F363 HydrophobicContact CG-CD2 4.43Å; L230-F364 HydrophobicContact CD1-CE2 4.14Å
231C97.5Very high90Very high0 Ų033 Ų330%019%0.194CC..EExtended strand (participates in β ladder)trans-120.2131.4162.5173.60000108.7A298 L299 I301 F314 I347 H348C231-A298 CarbonylContact O-C 3.49Å; C231-L299 HydrophobicContact CB-CB 4.16Å; C231-L299 PolarHBondContact N-O 2.81Å; C231-L299 PolarHBondContact O-N 2.7Å; C231-I301 HydrophobicContact CB-CD1 4.13Å; C231-I301 HydrophobicContact CB-CG1 3.63Å; C231-F314 HydrophobicContact CB-CE1 3.57Å; C231-F314 HydrophobicContact CB-CZ 3.62Å; C231-I347 VanDerWaalsContact SG-CG2 3.58Å; C231-H348 WeakPolarHBondContact CA-O 3.41Å
232V98.3Very high91.6Very high0 Ų032.7 Ų32.70%018%0.183CC..EExtended strand (participates in β ladder)trans-118115.5169.6-173.60000109.5L230 R234 F273 L291 C296 I297 A298 I347 H348 F363L230-V232 HydrophobicContact CD1-CG2 4.22Å; L230-V232 HydrophobicContact CD2-CG2 3.71Å; L230-V232 HydrophobicContact CG-CG2 3.92Å; V232-R234 PolarHBondContact O-N 2.83Å; V232-F273 HydrophobicContact CG2-CZ 4.44Å; V232-L291 HydrophobicContact CG1-CD1 4.38Å; V232-C296 HydrophobicContact CG1-CB 3.81Å; V232-I297 CarbonylContact C-O 3.59Å; V232-I297 WeakPolarHBondContact CA-O 3.23Å; V232-A298 HydrophobicContact CG2-CB 4.44Å; V232-I347 WeakPolarHBondContact O-CA 3.24Å; V232-H348 HydrophobicContact CB-CB 4.05Å; V232-H348 PolarHBondContact N-O 2.86Å; V232-H348 PolarHBondContact O-N 3.05Å; V232-F363 HydrophobicContact CG1-CZ 4.41Å; V232-F363 HydrophobicContact CG2-CD2 4.35Å; V232-F363 HydrophobicContact CG2-CE2 3.65Å; V232-F363 HydrophobicContact CG2-CZ 3.77Å
233I98.6Very high93.1Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-70.6114.5166.9-50.2-178.2000107.3A237 V238 T243 I246 C296 I297 L299 I347I233-A237 HydrophobicContact CG2-CB 3.83Å; I233-V238 HydrophobicContact CB-CG2 4.21Å; I233-V238 HydrophobicContact CG2-CG2 3.74Å; I233-T243 HydrophobicContact CD1-CG2 3.95Å; I233-I246 HydrophobicContact CD1-CB 4.37Å; I233-I246 HydrophobicContact CD1-CG2 3.97Å; I233-I246 HydrophobicContact CG1-CG2 4.14Å; I233-I246 HydrophobicContact CG2-CD1 3.92Å; I233-C296 WeakPolarHBondContact O-CA 3.31Å; I233-C296 WeakPolarHBondContact O-CB 3.37Å; I233-I297 HydrophobicContact CB-CB 4.17Å; I233-I297 HydrophobicContact CD1-CB 4.39Å; I233-I297 HydrophobicContact CG1-CB 4.44Å; I233-I297 PolarHBondContact N-O 2.92Å; I233-I297 PolarHBondContact O-N 3.28Å; I233-L299 HydrophobicContact CD1-CD1 3.94Å; I233-L299 HydrophobicContact CG1-CD1 4.15Å; I233-I347 HydrophobicContact CB-CD1 4.17Å; I233-I347 HydrophobicContact CG1-CD1 3.74Å; I233-I347 HydrophobicContact CG2-CD1 4.41Å
234R97.8Very high94Very high10 Ų1029.1 Ų29.14%0.03815%0.154CC..  trans-71.2153.7-173.2-72.5-176.2177.1-143.8-0111.7V232 H236 A237 V238 V343 N345 A346V232-R234 PolarHBondContact O-N 2.83Å; R234-H236 VanDerWaalsContact C-N 3.3Å; R234-H236 PolarHBondContact O-N 3.16Å; R234-H236 VanDerWaalsContact O-N 3.09Å; R234-A237 PolarHBondContact O-N 3.07Å; R234-V238 PolarHBondContact O-N 3.26Å; R234-V343 PolarHBondContact NH1-O 3.25Å; R234-N345 VanDerWaalsContact CD-OD1 3.29Å; R234-N345 WeakPolarHBondContact CD-OD1 3.34Å; R234-N345 PolarHBondContact NE-OD1 3.41Å; R234-N345 PolarHBondContact NH1-OD1 3.16Å; R234-A346 WeakPolarHBondContact CB-O 2.92Å; R234-A346 PolarHBondContact N-O 3.31Å
235P96Very high94.8Very high2 Ų229.1 Ų29.11%0.01315%0.15CC..Hα-helixtrans-53.6-35.2-175.4-33.936.9000117.7A237 V238 S239 Q290 S293 P295 C296P235-A237 VanDerWaalsContact C-N 3.35Å; P235-A237 PolarHBondContact O-N 3.08Å; P235-V238 PolarHBondContact O-N 2.91Å; P235-S239 VanDerWaalsContact O-CB 3.26Å; P235-S239 WeakPolarHBondContact O-CB 3.42Å; P235-S239 PolarHBondContact O-N 2.92Å; P235-Q290 VanDerWaalsContact CD-NE2 3.28Å; P235-Q290 VanDerWaalsContact CG-O 3.28Å; P235-Q290 WeakPolarHBondContact CG-O 3.28Å; P235-S293 WeakPolarHBondContact CB-OG 3.21Å; P235-P295 WeakPolarHBondContact CA-O 3.37Å; P235-C296 HydrophobicContact CG-CB 3.97Å
236H94.6Very high95.6Very high10 Ų1027 Ų275%0.04614%0.139CC..Hα-helixtrans-65.4-38.2176.570.4-75.2000112.1R234 S239 D240 Q290 K344 A346R234-H236 VanDerWaalsContact C-N 3.3Å; R234-H236 PolarHBondContact O-N 3.16Å; R234-H236 VanDerWaalsContact O-N 3.09Å; H236-S239 PolarHBondContact O-N 2.84Å; H236-D240 VanDerWaalsContact O-CB 3.25Å; H236-D240 WeakPolarHBondContact O-CB 3.08Å; H236-D240 VanDerWaalsContact O-CG 3.31Å; H236-D240 PolarHBondContact O-N 3.32Å; H236-Q290 VanDerWaalsContact N-NE2 3.18Å; H236-Q290 PolarHBondContact ND1-NE2 3.44Å; H236-K344 HydrophobicContact CB-CD 4.17Å; H236-K344 HydrophobicContact CB-CG 4.24Å; H236-K344 VanDerWaalsContact CE1-CA 3.43Å; H236-K344 WeakPolarHBondContact CE1-CA 3.44Å; H236-K344 VanDerWaalsContact NE2-C 3.26Å; H236-K344 PolarHBondContact NE2-O 2.89Å; H236-A346 WeakPolarHBondContact CE1-CA 3.31Å; H236-A346 PolarHBondContact CE1-N 2.79Å; H236-A346 VanDerWaalsContact NE2-CA 3.31Å; H236-A346 WeakPolarHBondContact NE2-CA 3.04Å; H236-A346 PolarHBondContact NE2-N 2.78Å
237A96.8Very high96.3Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-72.1-36.3179.200000111.5I233 R234 P235 D240 G241 L242 I246 A346I233-A237 HydrophobicContact CG2-CB 3.83Å; R234-A237 PolarHBondContact O-N 3.07Å; P235-A237 VanDerWaalsContact C-N 3.35Å; P235-A237 PolarHBondContact O-N 3.08Å; A237-D240 PolarHBondContact O-N 2.88Å; A237-G241 PolarHBondContact O-N 2.92Å; A237-L242 HydrophobicContact CB-CB 4.31Å; A237-L242 HydrophobicContact CB-CD1 4.31Å; A237-L242 WeakPolarHBondContact O-CB 3.28Å; A237-L242 PolarHBondContact O-N 3.01Å; A237-I246 HydrophobicContact CB-CD1 3.91Å; A237-A346 HydrophobicContact CB-CB 4.14Å
238V96Very high96.7Very high13 Ų1313.6 Ų13.68%0.0798%0.076CC..Hα-helixtrans-64.4-46.9171.7-1770000110.7I233 R234 P235 D240 G241 P295 I297I233-V238 HydrophobicContact CB-CG2 4.21Å; I233-V238 HydrophobicContact CG2-CG2 3.74Å; R234-V238 PolarHBondContact O-N 3.26Å; P235-V238 PolarHBondContact O-N 2.91Å; V238-D240 VanDerWaalsContact C-N 3.28Å; V238-D240 PolarHBondContact O-N 3.27Å; V238-G241 PolarHBondContact O-N 3.41Å; V238-G241 VanDerWaalsContact O-N 3.17Å; V238-P295 HydrophobicContact CG1-CB 4.42Å; V238-P295 HydrophobicContact CG1-CG 4.02Å; V238-I297 HydrophobicContact CG1-CD1 4.22Å; V238-I297 HydrophobicContact CG2-CD1 3.99Å; V238-I297 HydrophobicContact CG2-CG1 4.01Å
239S92.5Very high96.9Very high26 Ų2613.2 Ų13.218%0.1827%0.074CC..Hα-helixtrans-61-35.6177.5-173.30000112.7S59 D60 P235 H236 G241S59-S239 PolarHBondContact O-OG 2.86Å; D60-S239 PolarHBondContact OD1-OG 3.37Å; P235-S239 VanDerWaalsContact O-CB 3.26Å; P235-S239 WeakPolarHBondContact O-CB 3.42Å; P235-S239 PolarHBondContact O-N 2.92Å; H236-S239 PolarHBondContact O-N 2.84Å; S239-G241 VanDerWaalsContact C-N 3.25Å; S239-G241 PolarHBondContact O-N 3.17Å
240D93.3Very high97Very high48 Ų4813.1 Ų13.126%0.2577%0.073SC..THydrogen-bonded Turntrans-81.12.8179.2-79.3-18000114K57 H236 A237 V238 L242K57-D240 WeakPolarHBondContact CD-OD1 3.46Å; K57-D240 IonicContact NZ-OD1 3.72Å; K57-D240 PolarHBondContact NZ-OD1 3.33Å; K57-D240 IonicContact NZ-OD2 3.81Å; K57-D240 PolarHBondContact NZ-OD2 2.86Å; H236-D240 VanDerWaalsContact O-CB 3.25Å; H236-D240 WeakPolarHBondContact O-CB 3.08Å; H236-D240 VanDerWaalsContact O-CG 3.31Å; H236-D240 PolarHBondContact O-N 3.32Å; A237-D240 PolarHBondContact O-N 2.88Å; V238-D240 VanDerWaalsContact C-N 3.28Å; V238-D240 PolarHBondContact O-N 3.27Å; D240-L242 HydrophobicContact CB-CD1 4.15Å; D240-L242 HydrophobicContact CB-CG 4.01Å
241G94.7Very high97Very high19 Ų1915.1 Ų15.120%0.1968%0.084CC..THydrogen-bonded Turntrans66.339.1179.700000112.7E115 A237 V238 S239E115-G241 VanDerWaalsContact OE1-C 3.23Å; E115-G241 VanDerWaalsContact OE1-CA 3.28Å; E115-G241 WeakPolarHBondContact OE1-CA 3.49Å; A237-G241 PolarHBondContact O-N 2.92Å; V238-G241 PolarHBondContact O-N 3.41Å; V238-G241 VanDerWaalsContact O-N 3.17Å; S239-G241 VanDerWaalsContact C-N 3.25Å; S239-G241 PolarHBondContact O-N 3.17Å
242L97.6Very high97Very high32 Ų3222 Ų2217%0.16812%0.116CC..  trans-101.41.6179.5-58.3178.4000112.8A237 D240 G244 K245 I246 F338A237-L242 HydrophobicContact CB-CB 4.31Å; A237-L242 HydrophobicContact CB-CD1 4.31Å; A237-L242 WeakPolarHBondContact O-CB 3.28Å; A237-L242 PolarHBondContact O-N 3.01Å; D240-L242 HydrophobicContact CB-CD1 4.15Å; D240-L242 HydrophobicContact CB-CG 4.01Å; L242-G244 PolarHBondContact O-N 3.44Å; L242-K245 HydrophobicContact CD2-CD 4.24Å; L242-K245 PolarHBondContact O-N 3.35Å; L242-I246 HydrophobicContact CB-CD1 3.9Å; L242-I246 HydrophobicContact CB-CG1 4.41Å; L242-I246 WeakPolarHBondContact O-CB 3.43Å; L242-I246 WeakPolarHBondContact O-CD1 3.37Å; L242-I246 VanDerWaalsContact O-CG1 3.25Å; L242-I246 WeakPolarHBondContact O-CG1 3.25Å; L242-I246 PolarHBondContact O-N 2.81Å; L242-F338 HydrophobicContact CD1-CB 4.33Å; L242-F338 HydrophobicContact CD1-CD1 4.45Å; L242-F338 HydrophobicContact CD2-CD1 4.48Å
243T98.5Very high96.9Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-58.7-51.1-174.2-51.10000110.9I111 E115 I233 I246 W247 I297I111-T243 HydrophobicContact CG2-CG2 3.97Å; E115-T243 WeakPolarHBondContact OE1-CB 3.29Å; E115-T243 PolarHBondContact OE1-N 3.37Å; E115-T243 PolarHBondContact OE1-OG1 3.44Å; E115-T243 PolarHBondContact OE2-N 3.44Å; I233-T243 HydrophobicContact CD1-CG2 3.95Å; T243-I246 PolarHBondContact O-N 3.19Å; T243-W247 VanDerWaalsContact O-CB 3.31Å; T243-W247 WeakPolarHBondContact O-CB 3.43Å; T243-W247 PolarHBondContact O-N 2.78Å; T243-I297 HydrophobicContact CG2-CD1 3.35Å
244G98.4Very high96.8Very high1 Ų130 Ų301%0.0116%0.161CC..Hα-helixtrans-63.8-43.9-178.900000112G108 E115 L242 I246 W247 S248G108-G244 CarbonylContact C-O 3.56Å; G108-G244 WeakPolarHBondContact CA-O 3.37Å; G108-G244 CarbonylContact O-C 2.93Å; G108-G244 WeakPolarHBondContact O-CA 3.47Å; E115-G244 PolarHBondContact OE2-N 2.94Å; L242-G244 PolarHBondContact O-N 3.44Å; G244-I246 PolarHBondContact O-N 3.24Å; G244-W247 PolarHBondContact O-N 3Å; G244-S248 WeakPolarHBondContact O-CB 3.28Å; G244-S248 PolarHBondContact O-N 3.12Å; G244-S248 PolarHBondContact O-OG 3.06Å; G244-S248 VanDerWaalsContact O-OG 3.12Å
245K98.4Very high96.7Very high93 Ų9329.9 Ų29.940%0.40416%0.161SC..Hα-helixtrans-63.4-41.7178.9-68.1173.8-177.5159.20112.5D116 L242 A249 F338D116-K245 IonicContact OD1-NZ 2.8Å; L242-K245 HydrophobicContact CD2-CD 4.24Å; L242-K245 PolarHBondContact O-N 3.35Å; K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 3.03Å; K245-F338 HydrophobicContact CB-CE1 3.8Å; K245-F338 HydrophobicContact CB-CZ 4.08Å
246I98.6Very high96.7Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-66.1-47.5176.4-72.3164.9000110.1I233 A237 L242 T243 G244 A249 I250 F338 A346 I347I233-I246 HydrophobicContact CD1-CB 4.37Å; I233-I246 HydrophobicContact CD1-CG2 3.97Å; I233-I246 HydrophobicContact CG1-CG2 4.14Å; I233-I246 HydrophobicContact CG2-CD1 3.92Å; A237-I246 HydrophobicContact CB-CD1 3.91Å; L242-I246 HydrophobicContact CB-CD1 3.9Å; L242-I246 HydrophobicContact CB-CG1 4.41Å; L242-I246 WeakPolarHBondContact O-CB 3.43Å; L242-I246 WeakPolarHBondContact O-CD1 3.37Å; L242-I246 VanDerWaalsContact O-CG1 3.25Å; L242-I246 WeakPolarHBondContact O-CG1 3.25Å; L242-I246 PolarHBondContact O-N 2.81Å; T243-I246 PolarHBondContact O-N 3.19Å; G244-I246 PolarHBondContact O-N 3.24Å; I246-A249 WeakPolarHBondContact O-CB 3.33Å; I246-A249 PolarHBondContact O-N 3.05Å; I246-I250 HydrophobicContact CG2-CD1 4.11Å; I246-I250 WeakPolarHBondContact O-CG1 3.45Å; I246-I250 PolarHBondContact O-N 3.32Å; I246-F338 HydrophobicContact CD1-CB 4.23Å; I246-F338 HydrophobicContact CD1-CD2 4.42Å; I246-F338 HydrophobicContact CD1-CG 4.25Å; I246-F338 HydrophobicContact CG1-CB 4.21Å; I246-F338 HydrophobicContact CG1-CD1 4.18Å; I246-F338 HydrophobicContact CG1-CD2 3.53Å; I246-F338 HydrophobicContact CG1-CE1 4.46Å; I246-F338 HydrophobicContact CG1-CE2 3.85Å; I246-F338 HydrophobicContact CG1-CG 3.7Å; I246-F338 HydrophobicContact CG1-CZ 4.3Å; I246-A346 HydrophobicContact CD1-CB 4.24Å; I246-I347 HydrophobicContact CD1-CD1 4.2Å; I246-I347 HydrophobicContact CG2-CD1 3.55Å; I246-I347 HydrophobicContact CG2-CG1 4.24Å
247W98.5Very high96.8Very high3 Ų335.6 Ų35.61%0.01118%0.184CC..Hα-helixtrans-63.2-45179.9-166.9-34.5000111.1A107 I111 L124 M126 I160 T243 G244 A249 I250 N251 V257 A260 L299A107-W247 HydrophobicContact CB-CD2 4.3Å; A107-W247 HydrophobicContact CB-CH2 4.14Å; A107-W247 HydrophobicContact CB-CZ2 3.63Å; I111-W247 HydrophobicContact CD1-CE3 3.8Å; I111-W247 HydrophobicContact CD1-CZ3 3.84Å; L124-W247 HydrophobicContact CD1-CZ3 3.92Å; L124-W247 HydrophobicContact CD2-CZ3 4.25Å; M126-W247 HydrophobicContact CE-CH2 3.86Å; M126-W247 HydrophobicContact CE-CZ2 3.69Å; I160-W247 HydrophobicContact CD1-CH2 3.7Å; I160-W247 HydrophobicContact CD1-CZ2 3.94Å; T243-W247 VanDerWaalsContact O-CB 3.31Å; T243-W247 WeakPolarHBondContact O-CB 3.43Å; T243-W247 PolarHBondContact O-N 2.78Å; G244-W247 PolarHBondContact O-N 3Å; W247-A249 VanDerWaalsContact C-N 3.32Å; W247-A249 PolarHBondContact O-N 3.46Å; W247-I250 WeakPolarHBondContact O-CB 3.48Å; W247-I250 PolarHBondContact O-N 2.7Å; W247-I250 VanDerWaalsContact O-N 3.1Å; W247-N251 PolarHBondContact NE1-OD1 3.05Å; W247-N251 PolarHBondContact O-N 2.86Å; W247-N251 PolarHBondContact O-OD1 3.25Å; W247-V257 HydrophobicContact CD2-CG2 4.24Å; W247-V257 HydrophobicContact CG-CG2 4.39Å; W247-V257 HydrophobicContact CH2-CG1 4.02Å; W247-V257 HydrophobicContact CZ2-CB 3.7Å; W247-V257 HydrophobicContact CZ2-CG1 3.57Å; W247-V257 HydrophobicContact CZ2-CG2 4.02Å; W247-V257 VanDerWaalsContact NE1-CG2 3.35Å; W247-A260 HydrophobicContact CH2-CB 3.5Å; W247-A260 VanDerWaalsContact CH2-CB 3.5Å; W247-A260 HydrophobicContact CZ2-CB 4.41Å; W247-A260 HydrophobicContact CZ3-CB 3.92Å; W247-L299 HydrophobicContact CE3-CD2 4.1Å; W247-L299 HydrophobicContact CH2-CD2 4.31Å; W247-L299 HydrophobicContact CZ3-CD2 3.89Å
248S98.3Very high96.6Very high18 Ų1836.5 Ų36.513%0.12619%0.189CC..Hα-helixtrans-58-44.3173.7-66.70000111.8G108 E109 G244 I250 N251 E252G108-S248 WeakPolarHBondContact CA-OG 3.25Å; E109-S248 PolarHBondContact N-OG 3.35Å; E109-S248 VanDerWaalsContact N-OG 3.09Å; G244-S248 WeakPolarHBondContact O-CB 3.28Å; G244-S248 PolarHBondContact O-N 3.12Å; G244-S248 PolarHBondContact O-OG 3.06Å; G244-S248 VanDerWaalsContact O-OG 3.12Å; S248-I250 VanDerWaalsContact C-N 3.27Å; S248-I250 PolarHBondContact O-N 3.35Å; S248-N251 PolarHBondContact O-N 3.28Å; S248-N251 VanDerWaalsContact O-N 3.09Å; S248-E252 WeakPolarHBondContact O-CB 3.42Å; S248-E252 VanDerWaalsContact O-CG 3.25Å; S248-E252 WeakPolarHBondContact O-CG 3.46Å; S248-E252 PolarHBondContact O-N 3.01Å
249A98.3Very high96.6Very high1 Ų136.1 Ų36.11%0.00819%0.187CC..Hα-helixtrans-60.9-36.1176.700000112.7K245 I246 W247 K253 F317 L334 F338K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 3.03Å; I246-A249 WeakPolarHBondContact O-CB 3.33Å; I246-A249 PolarHBondContact O-N 3.05Å; W247-A249 VanDerWaalsContact C-N 3.32Å; W247-A249 PolarHBondContact O-N 3.46Å; A249-K253 WeakPolarHBondContact O-CB 3.25Å; A249-K253 PolarHBondContact O-N 3.32Å; A249-K253 VanDerWaalsContact O-N 3.15Å; A249-F317 HydrophobicContact CB-CZ 4.32Å; A249-F317 VanDerWaalsContact O-CZ 3.31Å; A249-F317 WeakPolarHBondContact O-CZ 3.41Å; A249-L334 HydrophobicContact CB-CD2 3.86Å; A249-F338 HydrophobicContact CB-CE2 4.16Å; A249-F338 HydrophobicContact CB-CZ 4.4Å
250I98.1Very high96.7Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-62.1-47.7173-68.8170000110.2I246 W247 S248 K253 F255 V257 L299 I301 F314 F317 L334I246-I250 HydrophobicContact CG2-CD1 4.11Å; I246-I250 WeakPolarHBondContact O-CG1 3.45Å; I246-I250 PolarHBondContact O-N 3.32Å; W247-I250 WeakPolarHBondContact O-CB 3.48Å; W247-I250 PolarHBondContact O-N 2.7Å; W247-I250 VanDerWaalsContact O-N 3.1Å; S248-I250 VanDerWaalsContact C-N 3.27Å; S248-I250 PolarHBondContact O-N 3.35Å; I250-K253 PolarHBondContact O-N 3.09Å; I250-F255 HydrophobicContact CG2-CB 3.62Å; I250-F255 WeakPolarHBondContact O-CB 3.29Å; I250-F255 PolarHBondContact O-N 2.93Å; I250-F255 VanDerWaalsContact O-N 3.16Å; I250-V257 HydrophobicContact CG2-CG2 4.33Å; I250-L299 HydrophobicContact CD1-CD1 4.01Å; I250-I301 HydrophobicContact CD1-CD1 4.27Å; I250-I301 HydrophobicContact CG2-CD1 4.04Å; I250-F314 HydrophobicContact CD1-CE2 4.27Å; I250-F314 HydrophobicContact CD1-CZ 4.2Å; I250-F314 HydrophobicContact CG1-CE2 4.09Å; I250-F314 HydrophobicContact CG1-CZ 4.43Å; I250-F314 HydrophobicContact CG2-CE2 4.41Å; I250-F317 HydrophobicContact CG1-CE1 4.2Å; I250-L334 HydrophobicContact CG1-CD1 4.15Å
251N97.2Very high96.7Very high42 Ų4234.2 Ų34.223%0.22517%0.173CC..Hα-helixtrans-66.8-43.7178.7-66.4136.7000113.2W247 S248 K253 G254 F255W247-N251 PolarHBondContact NE1-OD1 3.05Å; W247-N251 PolarHBondContact O-N 2.86Å; W247-N251 PolarHBondContact O-OD1 3.25Å; S248-N251 PolarHBondContact O-N 3.28Å; S248-N251 VanDerWaalsContact O-N 3.09Å; N251-K253 PolarHBondContact O-N 3.44Å; N251-G254 WeakPolarHBondContact O-CA 3.31Å; N251-G254 PolarHBondContact O-N 3.41Å; N251-F255 WeakPolarHBondContact CA-O 3.41Å; N251-F255 PolarHBondContact ND2-O 2.93Å; N251-F255 VanDerWaalsContact ND2-O 3.16Å
252E96.7Very high96.7Very high144 Ų14433.8 Ų33.867%0.67317%0.166SC*.Hα-helixtrans-58.1-34.5176.6-74.3165.8-171.200112.2S248 G254S248-E252 WeakPolarHBondContact O-CB 3.42Å; S248-E252 VanDerWaalsContact O-CG 3.25Å; S248-E252 WeakPolarHBondContact O-CG 3.46Å; S248-E252 PolarHBondContact O-N 3.01Å; E252-G254 PolarHBondContact O-N 2.93Å
253K96.4Very high96.5Very high132 Ų13233 Ų3357%0.57416%0.161SC*.THydrogen-bonded Turntrans-75.4-9.6177.3-169.758.1177.3177.50113.4A249 I250 N251 F255 F317A249-K253 WeakPolarHBondContact O-CB 3.25Å; A249-K253 PolarHBondContact O-N 3.32Å; A249-K253 VanDerWaalsContact O-N 3.15Å; I250-K253 PolarHBondContact O-N 3.09Å; N251-K253 PolarHBondContact O-N 3.44Å; K253-F255 HydrophobicContact CB-CD2 3.93Å; K253-F255 HydrophobicContact CB-CE2 4.09Å; K253-F255 HydrophobicContact CG-CD2 3.93Å; K253-F255 HydrophobicContact CG-CE2 3.56Å; K253-F317 HydrophobicContact CB-CD1 4.29Å; K253-F317 HydrophobicContact CB-CD2 4.28Å; K253-F317 HydrophobicContact CB-CE1 3.92Å; K253-F317 HydrophobicContact CB-CE2 3.92Å; K253-F317 HydrophobicContact CB-CG 4.45Å; K253-F317 HydrophobicContact CB-CZ 3.72Å; K253-F317 HydrophobicContact CD-CD2 4.05Å; K253-F317 HydrophobicContact CD-CE2 4.15Å; K253-F317 HydrophobicContact CG-CB 4.48Å; K253-F317 HydrophobicContact CG-CD1 4.09Å; K253-F317 HydrophobicContact CG-CD2 3.67Å; K253-F317 HydrophobicContact CG-CE1 4.19Å; K253-F317 HydrophobicContact CG-CE2 3.79Å; K253-F317 HydrophobicContact CG-CG 3.82Å; K253-F317 HydrophobicContact CG-CZ 4.05Å
254G95.7Very high96.2Very high37 Ų3739 Ų3938%0.38118%0.183SC..THydrogen-bonded Turntrans99.55.4178.500000114.8N251 E252 P304N251-G254 WeakPolarHBondContact O-CA 3.31Å; N251-G254 PolarHBondContact O-N 3.41Å; E252-G254 PolarHBondContact O-N 2.93Å; G254-P304 WeakPolarHBondContact O-CD 2.96Å
255F97.2Very high95.9Very high7 Ų739.4 Ų39.43%0.03119%0.185CC..  trans-83.4156.6172.9-61.4-78.7000111I250 N251 K253 I301 D302 I303 A313 F314 F317I250-F255 HydrophobicContact CG2-CB 3.62Å; I250-F255 WeakPolarHBondContact O-CB 3.29Å; I250-F255 PolarHBondContact O-N 2.93Å; I250-F255 VanDerWaalsContact O-N 3.16Å; N251-F255 WeakPolarHBondContact CA-O 3.41Å; N251-F255 PolarHBondContact ND2-O 2.93Å; N251-F255 VanDerWaalsContact ND2-O 3.16Å; K253-F255 HydrophobicContact CB-CD2 3.93Å; K253-F255 HydrophobicContact CB-CE2 4.09Å; K253-F255 HydrophobicContact CG-CD2 3.93Å; K253-F255 HydrophobicContact CG-CE2 3.56Å; F255-I301 HydrophobicContact CB-CG2 3.76Å; F255-I301 HydrophobicContact CD1-CG2 3.87Å; F255-I301 HydrophobicContact CG-CG2 4.03Å; F255-D302 WeakPolarHBondContact CA-O 3.48Å; F255-I303 HydrophobicContact CD1-CB 4.14Å; F255-I303 HydrophobicContact CD1-CD1 4.26Å; F255-I303 HydrophobicContact CD1-CG1 4.33Å; F255-I303 HydrophobicContact CE1-CB 4.41Å; F255-I303 HydrophobicContact CE1-CD1 3.99Å; F255-A313 HydrophobicContact CE1-CB 4.04Å; F255-A313 HydrophobicContact CZ-CB 4.01Å; F255-F314 HydrophobicContact CD1-CD2 4.08Å; F255-F314 HydrophobicContact CD2-CD2 4.07Å; F255-F314 HydrophobicContact CD2-CE2 4.49Å; F255-F314 HydrophobicContact CE1-CB 4.02Å; F255-F314 HydrophobicContact CE1-CD2 4.05Å; F255-F314 HydrophobicContact CE2-CD2 4.04Å; F255-F314 HydrophobicContact CG-CD2 4.1Å; F255-F314 HydrophobicContact CZ-CB 4.18Å; F255-F314 HydrophobicContact CZ-CD2 4.05Å; F255-F317 AromaticContact CD2-CD1 3.98Å; F255-F317 HydrophobicContact CD2-CD1 3.98Å; F255-F317 HydrophobicContact CD2-CE1 4.42Å; F255-F317 HydrophobicContact CE2-CB 3.86Å; F255-F317 AromaticContact CE2-CD1 3.63Å; F255-F317 HydrophobicContact CE2-CD1 3.63Å; F255-F317 HydrophobicContact CE2-CE1 4.44Å; F255-F317 AromaticContact CE2-CG 3.92Å; F255-F317 HydrophobicContact CE2-CG 3.92Å; F255-F317 HydrophobicContact CZ-CB 4.27Å
256R95.3Very high95.6Very high116 Ų11637.5 Ų37.544%0.43818%0.184SC..EExtended strand (participates in β ladder)trans-119.8148.9171.3-45.2174.7-72.2-155.5-1.9110.4I301 D302 P304R256-I301 WeakPolarHBondContact O-CA 3.46Å; R256-D302 WeakPolarHBondContact CB-OD1 3.31Å; R256-D302 IonicContact CZ-OD1 3.81Å; R256-D302 IonicContact CZ-OD2 3.41Å; R256-D302 PolarHBondContact N-O 3.22Å; R256-D302 IonicContact NE-OD1 3.84Å; R256-D302 PolarHBondContact NE-OD1 2.96Å; R256-D302 IonicContact NE-OD2 3.21Å; R256-D302 PolarHBondContact NE-OD2 2.71Å; R256-D302 IonicContact NH2-OD1 3.39Å; R256-D302 PolarHBondContact NH2-OD1 3.04Å; R256-D302 IonicContact NH2-OD2 2.75Å; R256-D302 PolarHBondContact NH2-OD2 3.07Å; R256-D302 PolarHBondContact O-N 3.07Å; R256-P304 HydrophobicContact CG-CG 3.99Å
257V96.2Very high95.2Very high16 Ų1642.7 Ų42.710%0.09721%0.206CC..EExtended strand (participates in β ladder)trans-94.6116.5171.21780000107.9M126 W247 I250 A259 A260 L299 E300 I301M126-V257 HydrophobicContact CE-CG1 4.03Å; M126-V257 HydrophobicContact SD-CG1 4.49Å; W247-V257 HydrophobicContact CD2-CG2 4.24Å; W247-V257 HydrophobicContact CG-CG2 4.39Å; W247-V257 HydrophobicContact CH2-CG1 4.02Å; W247-V257 HydrophobicContact CZ2-CB 3.7Å; W247-V257 HydrophobicContact CZ2-CG1 3.57Å; W247-V257 HydrophobicContact CZ2-CG2 4.02Å; W247-V257 VanDerWaalsContact NE1-CG2 3.35Å; I250-V257 HydrophobicContact CG2-CG2 4.33Å; V257-A259 VanDerWaalsContact CG1-O 3.32Å; V257-A259 WeakPolarHBondContact CG1-O 3.46Å; V257-A260 HydrophobicContact CG1-CB 3.94Å; V257-L299 HydrophobicContact CG1-CB 4.22Å; V257-L299 HydrophobicContact CG1-CD2 3.99Å; V257-L299 HydrophobicContact CG2-CD1 4.28Å; V257-E300 CarbonylContact C-O 3.56Å; V257-E300 WeakPolarHBondContact CA-O 3.37Å; V257-I301 HydrophobicContact CG2-CD1 3.75Å
258T93.9Very high94.9Very high19 Ų1945.9 Ų45.912%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-100-24.7-17552.40000112.9Q158 L224 E300 D302Q158-T258 PolarHBondContact NE2-O 2.99Å; L224-T258 HydrophobicContact CD1-CG2 3.71Å; L224-T258 HydrophobicContact CG-CG2 4.36Å; T258-E300 WeakPolarHBondContact CB-OE2 3.41Å; T258-E300 PolarHBondContact N-O 3.42Å; T258-E300 WeakPolarHBondContact OG1-CB 3.37Å; T258-E300 VanDerWaalsContact OG1-CG 3.23Å; T258-E300 WeakPolarHBondContact OG1-CG 3.35Å; T258-E300 PolarHBondContact OG1-O 2.94Å; T258-E300 PolarHBondContact OG1-OE2 3.41Å; T258-D302 HydrophobicContact CG2-CB 3.91Å; T258-D302 WeakPolarHBondContact CG2-OD2 3.45Å
259A94.2Very high94.7Very high4 Ų447.6 Ų47.63%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-143.5147.9168.300000109.4M126 A223 V257 L299 E300 F364M126-A259 VanDerWaalsContact SD-CA 3.57Å; A223-A259 HydrophobicContact CB-CB 3.97Å; V257-A259 VanDerWaalsContact CG1-O 3.32Å; V257-A259 WeakPolarHBondContact CG1-O 3.46Å; A259-L299 CarbonylContact O-C 3.41Å; A259-L299 WeakPolarHBondContact O-CA 3.38Å; A259-E300 HydrophobicContact CB-CB 3.8Å; A259-E300 PolarHBondContact O-N 2.8Å; A259-F364 HydrophobicContact CB-CD1 4.05Å; A259-F364 HydrophobicContact CB-CE1 3.7Å; A259-F364 HydrophobicContact CB-CE2 4.36Å; A259-F364 HydrophobicContact CB-CZ 3.86Å
260A95.1Very high94.6Very high2 Ų247.6 Ų47.62%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-150.1133.6178.300000110.9L124 M126 W247 V257 A298 L299L124-A260 HydrophobicContact CD2-CB 3.66Å; M126-A260 HydrophobicContact CB-CB 3.97Å; M126-A260 WeakPolarHBondContact CB-O 3.32Å; M126-A260 HydrophobicContact CE-CB 4.23Å; M126-A260 PolarHBondContact N-O 3.49Å; M126-A260 HydrophobicContact SD-CB 4.37Å; W247-A260 HydrophobicContact CH2-CB 3.5Å; W247-A260 VanDerWaalsContact CH2-CB 3.5Å; W247-A260 HydrophobicContact CZ2-CB 4.41Å; W247-A260 HydrophobicContact CZ3-CB 3.92Å; V257-A260 HydrophobicContact CG1-CB 3.94Å; A260-A298 CarbonylContact C-O 3.56Å; A260-A298 VanDerWaalsContact CA-O 3.3Å; A260-A298 WeakPolarHBondContact CA-O 3.43Å; A260-L299 HydrophobicContact CB-CD2 3.51Å
261R93.9Very high94.5Very high33 Ų3349 Ų4913%0.12525%0.253CS..EExtended strand (participates in β ladder)trans-153142.1174.5179.8160.1170.9-175.2-9.8112.5L124 Y263 I297 A298 F364 D368L124-R261 CarbonylContact O-C 3.38Å; L124-R261 VanDerWaalsContact O-CA 3.32Å; L124-R261 WeakPolarHBondContact O-CA 3.31Å; R261-Y263 HydrophobicContact CB-CD2 4.3Å; R261-Y263 HydrophobicContact CB-CE2 3.55Å; R261-Y263 VanDerWaalsContact CD-OH 3.29Å; R261-Y263 WeakPolarHBondContact CD-OH 3.44Å; R261-Y263 HydrophobicContact CG-CD2 4.11Å; R261-Y263 HydrophobicContact CG-CE1 4.25Å; R261-Y263 HydrophobicContact CG-CE2 3.55Å; R261-Y263 WeakPolarHBondContact O-CD2 3.25Å; R261-I297 CarbonylContact O-C 3.28Å; R261-I297 WeakPolarHBondContact O-CA 3.43Å; R261-A298 PolarHBondContact N-O 3.38Å; R261-A298 PolarHBondContact O-N 3.31Å; R261-F364 HydrophobicContact CB-CE1 4.29Å; R261-D368 IonicContact CZ-OD1 2.78Å; R261-D368 IonicContact CZ-OD2 2.83Å; R261-D368 IonicContact NE-OD1 2.76Å; R261-D368 IonicContact NH1-OD1 2.85Å; R261-D368 PolarHBondContact NH1-OD1 3.04Å; R261-D368 IonicContact NH1-OD2 3.62Å; R261-D368 PolarHBondContact NH1-OD2 3.39Å; R261-D368 IonicContact NH2-OD1 3.16Å; R261-D368 PolarHBondContact NH2-OD1 3.12Å
262L94.5Very high94.4Very high9 Ų951.1 Ų51.15%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-86.1130.1171.7-174.1155.4000110.1I121 I122 L124 R264 P295 C296 I297I121-L262 HydrophobicContact CG2-CD1 4.17Å; I122-L262 WeakPolarHBondContact O-CD1 3.45Å; I122-L262 WeakPolarHBondContact O-CD2 3.47Å; L124-L262 HydrophobicContact CB-CB 4Å; L124-L262 PolarHBondContact O-N 3.49Å; L262-R264 VanDerWaalsContact CD2-NH1 3.32Å; L262-P295 HydrophobicContact CD1-CB 3.96Å; L262-P295 HydrophobicContact CD2-CB 3.67Å; L262-P295 HydrophobicContact CG-CB 3.89Å; L262-C296 CarbonylContact C-O 3.52Å; L262-C296 VanDerWaalsContact CA-O 3.29Å; L262-C296 WeakPolarHBondContact CA-O 3.29Å; L262-I297 HydrophobicContact CB-CG1 4.07Å; L262-I297 HydrophobicContact CD1-CD1 4.46Å; L262-I297 HydrophobicContact CD1-CG1 4.18Å; L262-I297 HydrophobicContact CG-CG1 4.13Å
263Y93.4Very high94.4Very high16 Ų1644.2 Ų44.26%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-122.5155.2177.2-66-89.7000111R261 P295 C296 A298 F363 L367R261-Y263 HydrophobicContact CB-CD2 4.3Å; R261-Y263 HydrophobicContact CB-CE2 3.55Å; R261-Y263 VanDerWaalsContact CD-OH 3.29Å; R261-Y263 WeakPolarHBondContact CD-OH 3.44Å; R261-Y263 HydrophobicContact CG-CD2 4.11Å; R261-Y263 HydrophobicContact CG-CE1 4.25Å; R261-Y263 HydrophobicContact CG-CE2 3.55Å; R261-Y263 WeakPolarHBondContact O-CD2 3.25Å; Y263-P295 CarbonylContact O-C 3.59Å; Y263-P295 VanDerWaalsContact O-CA 3.26Å; Y263-P295 WeakPolarHBondContact O-CA 3.26Å; Y263-C296 PolarHBondContact N-O 3.18Å; Y263-C296 PolarHBondContact O-N 3.18Å; Y263-A298 HydrophobicContact CD2-CB 4.03Å; Y263-A298 HydrophobicContact CE2-CB 3.9Å; Y263-F363 AromaticContact CD2-CD1 3.58Å; Y263-F363 HydrophobicContact CD2-CD1 3.58Å; Y263-F363 HydrophobicContact CD2-CE1 4.07Å; Y263-F363 HydrophobicContact CE2-CB 4.25Å; Y263-F363 AromaticContact CE2-CD1 3.7Å; Y263-F363 HydrophobicContact CE2-CD1 3.7Å; Y263-F363 HydrophobicContact CE2-CG 4.45Å; Y263-F363 HydrophobicContact CG-CD1 4.07Å; Y263-F363 HydrophobicContact CG-CE1 4.34Å; Y263-F363 PolarHBondContact OH-O 3.27Å; Y263-L367 HydrophobicContact CD1-CB 4.34Å; Y263-L367 HydrophobicContact CD1-CD1 3.96Å; Y263-L367 HydrophobicContact CE1-CB 3.97Å; Y263-L367 HydrophobicContact CE1-CD1 4.16Å; Y263-L367 HydrophobicContact CG-CD1 4.44Å
264R91.9Very high94.3Very high125 Ų12538.1 Ų38.147%0.47221%0.205SC..EExtended strand (participates in β ladder)trans-122.393.3168.7-69.3173.4178.775.75.5106.9I122 N123 L262 P295I122-R264 PolarHBondContact O-NH1 3.39Å; I122-R264 PolarHBondContact O-NH2 3.49Å; N123-R264 PolarHBondContact OD1-NH1 3.36Å; L262-R264 VanDerWaalsContact CD2-NH1 3.32Å; R264-P295 HydrophobicContact CG-CB 4.4Å
265L93Very high94.3Very high10 Ų1041.9 Ų41.95%0.05221%0.213CC..  trans-74.8134.2-173.7-60.6-176.2000110.4D269 L291 F363 L367L265-D269 HydrophobicContact CB-CB 4.16Å; L265-D269 HydrophobicContact CD2-CB 4.08Å; L265-L291 HydrophobicContact CD1-CD1 4.21Å; L265-L291 HydrophobicContact CD1-CD2 3.95Å; L265-L291 HydrophobicContact CD1-CG 3.86Å; L265-F363 HydrophobicContact CD1-CE1 3.98Å; L265-F363 HydrophobicContact CD1-CZ 3.93Å; L265-F363 HydrophobicContact CD2-CE1 4.18Å; L265-L367 HydrophobicContact CD2-CD1 3.45Å; L265-L367 VanDerWaalsContact CD2-CD1 3.45Å; L265-L367 HydrophobicContact CD2-CD2 4.42Å
266S90.6Very high94Very high53 Ų5344.4 Ų44.437%0.37123%0.229SC..  trans-67.8165.7163.775.80000109.7A268 D269 A270S266-A268 PolarHBondContact O-N 3.05Å; S266-A268 PolarHBondContact OG-N 3.35Å; S266-D269 VanDerWaalsContact CB-OD2 3.22Å; S266-D269 WeakPolarHBondContact CB-OD2 3.5Å; S266-D269 PolarHBondContact N-OD2 2.86Å; S266-D269 PolarHBondContact O-N 3.42Å; S266-D269 PolarHBondContact OG-N 3.44Å; S266-D269 VanDerWaalsContact OG-N 3.1Å; S266-D269 PolarHBondContact OG-OD1 3.14Å; S266-D269 PolarHBondContact OG-OD2 3.39Å; S266-A270 WeakPolarHBondContact O-CB 3.42Å; S266-A270 PolarHBondContact O-N 3.46Å
267K90.4Very high93.8Very high109 Ų10939.8 Ų39.847%0.47421%0.212SC..Hα-helixtrans-62.6-28.5174-161.3170.7-167.6160.50112A271 D289K267-A271 VanDerWaalsContact O-CB 3.27Å; K267-A271 WeakPolarHBondContact O-CB 3.21Å; K267-A271 PolarHBondContact O-N 3.38Å; K267-D289 WeakPolarHBondContact CE-OD1 3.47Å; K267-D289 IonicContact NZ-OD1 3.38Å; K267-D289 PolarHBondContact NZ-OD1 3.22Å
268A92.8Very high93.7Very high71 Ų7145.9 Ų45.959%0.58724%0.237SC*.Hα-helixtrans-70.2-47.3174.900000111S266 A270 A271 D272S266-A268 PolarHBondContact O-N 3.05Å; S266-A268 PolarHBondContact OG-N 3.35Å; A268-A270 VanDerWaalsContact C-N 3.34Å; A268-A270 PolarHBondContact O-N 3.24Å; A268-A271 PolarHBondContact O-N 3.06Å; A268-A271 VanDerWaalsContact O-N 3.11Å; A268-D272 PolarHBondContact O-N 3.2Å
269D94.5Very high93.7Very high54 Ų5448.9 Ų48.929%0.28927%0.271SS..Hα-helixtrans-61.9-43.5177.1-50.8-41.1000111L265 S266 A271 D272 F273 Y362 L367L265-D269 HydrophobicContact CB-CB 4.16Å; L265-D269 HydrophobicContact CD2-CB 4.08Å; S266-D269 VanDerWaalsContact CB-OD2 3.22Å; S266-D269 WeakPolarHBondContact CB-OD2 3.5Å; S266-D269 PolarHBondContact N-OD2 2.86Å; S266-D269 PolarHBondContact O-N 3.42Å; S266-D269 PolarHBondContact OG-N 3.44Å; S266-D269 VanDerWaalsContact OG-N 3.1Å; S266-D269 PolarHBondContact OG-OD1 3.14Å; S266-D269 PolarHBondContact OG-OD2 3.39Å; D269-A271 VanDerWaalsContact C-N 3.28Å; D269-A271 PolarHBondContact O-N 3.45Å; D269-D272 PolarHBondContact O-N 2.88Å; D269-F273 WeakPolarHBondContact O-CB 3.32Å; D269-F273 PolarHBondContact O-N 2.71Å; D269-Y362 VanDerWaalsContact CA-OH 3.27Å; D269-Y362 WeakPolarHBondContact CA-OH 3.31Å; D269-Y362 PolarHBondContact O-OH 3.39Å; D269-L367 HydrophobicContact CB-CD2 4.15Å
270A95.5Very high93.5Very high0 Ų054 Ų540%030%0.302CS..Hα-helixtrans-61.9-36.1175.500000112.4S266 A268 L274 L288 L291S266-A270 WeakPolarHBondContact O-CB 3.42Å; S266-A270 PolarHBondContact O-N 3.46Å; A268-A270 VanDerWaalsContact C-N 3.34Å; A268-A270 PolarHBondContact O-N 3.24Å; A270-L274 WeakPolarHBondContact O-CB 3.48Å; A270-L274 WeakPolarHBondContact O-CG 3.06Å; A270-L274 PolarHBondContact O-N 3Å; A270-L288 HydrophobicContact CB-CD2 4.29Å; A270-L288 WeakPolarHBondContact O-CD2 3.03Å; A270-L291 HydrophobicContact CB-CB 4.27Å; A270-L291 HydrophobicContact CB-CD2 4.12Å; A270-L291 HydrophobicContact CB-CG 4.25Å
271A95.9Very high93.3Very high30 Ų3055.9 Ų55.925%0.24831%0.313CS..Hα-helixtrans-72-39.1178.800000113.1K267 A268 D269 E275 L288K267-A271 VanDerWaalsContact O-CB 3.27Å; K267-A271 WeakPolarHBondContact O-CB 3.21Å; K267-A271 PolarHBondContact O-N 3.38Å; A268-A271 PolarHBondContact O-N 3.06Å; A268-A271 VanDerWaalsContact O-N 3.11Å; D269-A271 VanDerWaalsContact C-N 3.28Å; D269-A271 PolarHBondContact O-N 3.45Å; A271-E275 WeakPolarHBondContact O-CA 3.44Å; A271-E275 PolarHBondContact O-N 3.49Å; A271-E275 VanDerWaalsContact O-N 3.1Å; A271-L288 HydrophobicContact CB-CD1 4.43Å; A271-L288 HydrophobicContact CB-CD2 3.88Å
272D95.5Very high93.3Very high86 Ų8662.7 Ų62.746%0.4635%0.346SS..Hα-helixtrans-65.7-46.4174.4-169.736.3000110.8A268 D269 L274 E275 Y362A268-D272 PolarHBondContact O-N 3.2Å; D269-D272 PolarHBondContact O-N 2.88Å; D272-L274 PolarHBondContact O-N 3.49Å; D272-E275 WeakPolarHBondContact O-CB 3.25Å; D272-E275 PolarHBondContact O-N 2.76Å; D272-Y362 HydrophobicContact CB-CE2 4.39Å; D272-Y362 WeakPolarHBondContact OD2-CE2 3.44Å
273F96.3Very high93.3Very high0 Ų064.8 Ų64.80%036%0.356CS..Hα-helixtrans-58.8-46.4175.2178.2-116.1000112.9L230 V232 D269 E275 L291 H348 E359 Y362 F363L230-F273 HydrophobicContact CD2-CE2 3.76Å; L230-F273 HydrophobicContact CD2-CZ 3.8Å; V232-F273 HydrophobicContact CG2-CZ 4.44Å; D269-F273 WeakPolarHBondContact O-CB 3.32Å; D269-F273 PolarHBondContact O-N 2.71Å; F273-E275 VanDerWaalsContact C-N 3.31Å; F273-E275 PolarHBondContact O-N 2.85Å; F273-L291 HydrophobicContact CD1-CD2 3.56Å; F273-L291 HydrophobicContact CE1-CD2 4.11Å; F273-H348 AromaticContact CE1-CD2 3.93Å; F273-H348 AromaticContact CE1-NE2 3.87Å; F273-H348 AromaticContact CZ-CD2 3.53Å; F273-H348 AromaticContact CZ-CE1 3.96Å; F273-H348 AromaticContact CZ-NE2 3.35Å; F273-H348 WeakPolarHBondContact CZ-NE2 3.25Å; F273-E359 HydrophobicContact CE2-CB 4.03Å; F273-E359 HydrophobicContact CE2-CG 3.73Å; F273-E359 HydrophobicContact CZ-CG 4.41Å; F273-Y362 HydrophobicContact CB-CD1 4.09Å; F273-Y362 HydrophobicContact CB-CE1 3.66Å; F273-Y362 AromaticContact CD2-CD1 3.72Å; F273-Y362 HydrophobicContact CD2-CD1 3.72Å; F273-Y362 HydrophobicContact CD2-CE1 4.18Å; F273-Y362 HydrophobicContact CD2-CG 4.29Å; F273-Y362 HydrophobicContact CG-CD1 4.25Å; F273-Y362 HydrophobicContact CG-CE1 4.25Å; F273-F363 HydrophobicContact CD1-CE2 4.36Å; F273-F363 HydrophobicContact CD2-CD2 4.41Å; F273-F363 AromaticContact CD2-CE2 3.7Å; F273-F363 HydrophobicContact CD2-CE2 3.7Å; F273-F363 HydrophobicContact CD2-CZ 4.46Å; F273-F363 HydrophobicContact CE1-CE2 4.16Å; F273-F363 HydrophobicContact CE1-CZ 4.5Å; F273-F363 HydrophobicContact CE2-CD2 4.14Å; F273-F363 AromaticContact CE2-CE2 3.46Å; F273-F363 HydrophobicContact CE2-CE2 3.46Å; F273-F363 VanDerWaalsContact CE2-CE2 3.46Å; F273-F363 HydrophobicContact CE2-CZ 4.45Å; F273-F363 HydrophobicContact CG-CE2 4.15Å; F273-F363 HydrophobicContact CG-CZ 4.5Å; F273-F363 AromaticContact CZ-CE2 3.7Å; F273-F363 HydrophobicContact CZ-CE2 3.7Å; F273-F363 HydrophobicContact CZ-CZ 4.46Å
274L95.2Very high93.3Very high3 Ų365.2 Ų65.22%0.01636%0.358CS..THydrogen-bonded Turntrans-89.112.5-176.5-63.7177000113.7A270 D272 V276 Y277 Y284 M287 L288 L291A270-L274 WeakPolarHBondContact O-CB 3.48Å; A270-L274 WeakPolarHBondContact O-CG 3.06Å; A270-L274 PolarHBondContact O-N 3Å; D272-L274 PolarHBondContact O-N 3.49Å; L274-V276 VanDerWaalsContact C-N 3.25Å; L274-V276 PolarHBondContact O-N 2.92Å; L274-V276 VanDerWaalsContact O-N 3.13Å; L274-Y277 HydrophobicContact CB-CD2 4.08Å; L274-Y277 HydrophobicContact CD2-CD2 3.7Å; L274-Y277 HydrophobicContact CD2-CE2 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.37Å; L274-Y277 PolarHBondContact O-N 2.82Å; L274-Y284 HydrophobicContact CB-CE2 3.95Å; L274-Y284 WeakPolarHBondContact O-CE2 3.31Å; L274-M287 HydrophobicContact CD1-CB 3.96Å; L274-M287 HydrophobicContact CD1-CE 4.22Å; L274-M287 HydrophobicContact CD2-CE 4.07Å; L274-L288 HydrophobicContact CB-CD2 4.3Å; L274-L288 HydrophobicContact CD1-CD2 4.07Å; L274-L291 HydrophobicContact CD1-CD2 3.89Å; L274-L291 HydrophobicContact CD2-CD2 4.47Å; L274-L291 HydrophobicContact CG-CD2 4.05Å
275E94.1Very high93.4Very high117 Ų11762.6 Ų62.655%0.54736%0.357SS..G310 helixtrans-51.2-42.6-172.3-175.2-178-163.200113.1A271 D272 F273 Y277 K278A271-E275 WeakPolarHBondContact O-CA 3.44Å; A271-E275 PolarHBondContact O-N 3.49Å; A271-E275 VanDerWaalsContact O-N 3.1Å; D272-E275 WeakPolarHBondContact O-CB 3.25Å; D272-E275 PolarHBondContact O-N 2.76Å; F273-E275 VanDerWaalsContact C-N 3.31Å; F273-E275 PolarHBondContact O-N 2.85Å; E275-Y277 PolarHBondContact O-N 3.47Å; E275-Y277 VanDerWaalsContact O-N 3.08Å; E275-K278 WeakPolarHBondContact O-CB 3.39Å; E275-K278 PolarHBondContact O-N 3.11Å
276V91.8Very high93.4Very high59 Ų5966.7 Ų66.736%0.35838%0.375SS..G310 helixtrans-61.1-19.8-179-620000114L274L274-V276 VanDerWaalsContact C-N 3.25Å; L274-V276 PolarHBondContact O-N 2.92Å; L274-V276 VanDerWaalsContact O-N 3.13Å
277Y92Very high93.6Very high20 Ų2064.7 Ų64.78%0.07836%0.36CS..G310 helixtrans-92.1-10.8178.3-55.2-68.5000112.9L274 E275 G279 V280 V281 M287 D351L274-Y277 HydrophobicContact CB-CD2 4.08Å; L274-Y277 HydrophobicContact CD2-CD2 3.7Å; L274-Y277 HydrophobicContact CD2-CE2 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.37Å; L274-Y277 PolarHBondContact O-N 2.82Å; E275-Y277 PolarHBondContact O-N 3.47Å; E275-Y277 VanDerWaalsContact O-N 3.08Å; Y277-G279 PolarHBondContact O-N 3.33Å; Y277-V280 PolarHBondContact O-N 3.24Å; Y277-V281 HydrophobicContact CD1-CG1 4.47Å; Y277-V281 PolarHBondContact O-N 3.36Å; Y277-M287 HydrophobicContact CD2-CE 4.27Å; Y277-M287 HydrophobicContact CG-CE 4.32Å; Y277-D351 VanDerWaalsContact CE1-OD2 3.25Å; Y277-D351 WeakPolarHBondContact CE1-OD2 3.15Å; Y277-D351 PolarHBondContact OH-OD2 2.87Å
278K93.4Very high93.7Very high144 Ų14460.2 Ų60.263%0.62634%0.342SS*.THydrogen-bonded Turntrans-65.5117.1-175.9-173.2177.4179.7-178.40110.9E275 V280 Y284E275-K278 WeakPolarHBondContact O-CB 3.39Å; E275-K278 PolarHBondContact O-N 3.11Å; K278-V280 PolarHBondContact O-N 3.27Å; K278-Y284 HydrophobicContact CB-CD1 4.49Å; K278-Y284 HydrophobicContact CB-CD2 4.31Å; K278-Y284 HydrophobicContact CB-CE1 4.02Å; K278-Y284 HydrophobicContact CB-CE2 3.82Å; K278-Y284 HydrophobicContact CD-CE1 4.25Å; K278-Y284 HydrophobicContact CG-CD1 4.28Å; K278-Y284 HydrophobicContact CG-CE1 3.71Å; K278-Y284 HydrophobicContact CG-CE2 4.43Å
279G93Very high93.7Very high81 Ų8158 Ų5884%0.83532%0.32SS*.THydrogen-bonded Turntrans79.2-2.3-177.500000114.5Y277Y277-G279 PolarHBondContact O-N 3.33Å
280V91.7Very high93.7Very high113 Ų11356 Ų5669%0.68531%0.309SS*.THydrogen-bonded Turntrans-96.3-42.5176.7-1790000111Y277 K278Y277-V280 PolarHBondContact O-N 3.24Å; K278-V280 PolarHBondContact O-N 3.27Å
281V90.9Very high93.8Very high40 Ų4056.2 Ų56.224%0.24231%0.31CS..  trans-110.5139.3-179.6-55.80000111Y277 E283 Y284 M287Y277-V281 HydrophobicContact CD1-CG1 4.47Å; Y277-V281 PolarHBondContact O-N 3.36Å; V281-E283 VanDerWaalsContact C-N 3.3Å; V281-E283 PolarHBondContact O-N 2.95Å; V281-Y284 WeakPolarHBondContact O-CB 3.5Å; V281-Y284 PolarHBondContact O-N 3.42Å; V281-M287 HydrophobicContact CG2-SD 3.83Å
282Q93Very high93.7Very high176 Ų17655.7 Ų55.782%0.82231%0.305SS*.THydrogen-bonded Turntrans-67-34.7-177.7-175.7177.1-8.700111.6Y284 P285Q282-Y284 PolarHBondContact O-N 2.9Å; Q282-P285 WeakPolarHBondContact O-CD 3.49Å
283E93.6Very high93.6Very high53 Ų5352.8 Ų52.825%0.24829%0.291CS..THydrogen-bonded Turntrans-81.48.7-177.3-5887.816200113.9V281 P285 E286 M287 K342 V343V281-E283 VanDerWaalsContact C-N 3.3Å; V281-E283 PolarHBondContact O-N 2.95Å; E283-P285 VanDerWaalsContact C-CD 3.47Å; E283-E286 WeakPolarHBondContact CA-OE2 3.35Å; E283-E286 PolarHBondContact O-N 2.84Å; E283-E286 VanDerWaalsContact O-N 3.16Å; E283-M287 VanDerWaalsContact O-CG 3.31Å; E283-M287 WeakPolarHBondContact O-CG 3.31Å; E283-M287 PolarHBondContact O-N 3.07Å; E283-K342 VanDerWaalsContact OE1-CD 3.29Å; E283-K342 WeakPolarHBondContact OE1-CD 3.16Å; E283-K342 IonicContact OE1-NZ 3.09Å; E283-V343 HydrophobicContact CB-CG2 3.94Å; E283-V343 HydrophobicContact CG-CG2 4.28Å
284Y94.3Very high93.3Very high26 Ų2653.2 Ų53.210%0.10230%0.295CS..Hα-helixtrans-52.7-46.3-177.8174.8-100.1000113.2L274 K278 V281 Q282 E286 M287 L288L274-Y284 HydrophobicContact CB-CE2 3.95Å; L274-Y284 WeakPolarHBondContact O-CE2 3.31Å; K278-Y284 HydrophobicContact CB-CD1 4.49Å; K278-Y284 HydrophobicContact CB-CD2 4.31Å; K278-Y284 HydrophobicContact CB-CE1 4.02Å; K278-Y284 HydrophobicContact CB-CE2 3.82Å; K278-Y284 HydrophobicContact CD-CE1 4.25Å; K278-Y284 HydrophobicContact CG-CD1 4.28Å; K278-Y284 HydrophobicContact CG-CE1 3.71Å; K278-Y284 HydrophobicContact CG-CE2 4.43Å; V281-Y284 WeakPolarHBondContact O-CB 3.5Å; V281-Y284 PolarHBondContact O-N 3.42Å; Q282-Y284 PolarHBondContact O-N 2.9Å; Y284-E286 VanDerWaalsContact C-N 3.35Å; Y284-E286 PolarHBondContact O-N 2.85Å; Y284-M287 WeakPolarHBondContact O-CB 3.38Å; Y284-M287 PolarHBondContact O-N 2.81Å; Y284-L288 HydrophobicContact CD1-CD1 4.11Å; Y284-L288 HydrophobicContact CD1-CG 4.49Å; Y284-L288 HydrophobicContact CE1-CD1 3.47Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.47Å; Y284-L288 HydrophobicContact CE1-CG 4.08Å; Y284-L288 HydrophobicContact CE2-CD1 4.44Å; Y284-L288 HydrophobicContact CE2-CD2 4.12Å; Y284-L288 HydrophobicContact CE2-CG 4.24Å; Y284-L288 WeakPolarHBondContact O-CG 3.48Å; Y284-L288 PolarHBondContact O-N 3.41Å
285P93.2Very high93.3Very high69 Ų6953.5 Ų53.545%0.44830%0.297SS..Hα-helixtrans-58.3-44.4177.5-23.335.1000113Q282 E283 L288 D289Q282-P285 WeakPolarHBondContact O-CD 3.49Å; E283-P285 VanDerWaalsContact C-CD 3.47Å; P285-L288 WeakPolarHBondContact O-CB 3.43Å; P285-L288 PolarHBondContact O-N 3.37Å; P285-D289 PolarHBondContact O-N 3.45Å
286E93Very high93.4Very high96 Ų9648 Ų4845%0.44927%0.271SS..Hα-helixtrans-70.5-32.2179.7-64.182.9174.300111.9E283 Y284 D289 Q290 V343E283-E286 WeakPolarHBondContact CA-OE2 3.35Å; E283-E286 PolarHBondContact O-N 2.84Å; E283-E286 VanDerWaalsContact O-N 3.16Å; Y284-E286 VanDerWaalsContact C-N 3.35Å; Y284-E286 PolarHBondContact O-N 2.85Å; E286-D289 PolarHBondContact O-N 2.89Å; E286-Q290 VanDerWaalsContact O-CB 3.23Å; E286-Q290 WeakPolarHBondContact O-CB 3.41Å; E286-Q290 PolarHBondContact O-N 2.88Å; E286-V343 HydrophobicContact CB-CB 4.43Å; E286-V343 HydrophobicContact CB-CG1 3.97Å; E286-V343 HydrophobicContact CB-CG2 3.65Å; E286-V343 WeakPolarHBondContact O-CG1 3.18Å
287M94.6Very high93.7Very high11 Ų1145.1 Ų45.15%0.05425%0.254CS..Hα-helixtrans-63-42.7172-71.9171.655.600111.5L274 Y277 V281 E283 Y284 Q290 L291L274-M287 HydrophobicContact CD1-CB 3.96Å; L274-M287 HydrophobicContact CD1-CE 4.22Å; L274-M287 HydrophobicContact CD2-CE 4.07Å; Y277-M287 HydrophobicContact CD2-CE 4.27Å; Y277-M287 HydrophobicContact CG-CE 4.32Å; V281-M287 HydrophobicContact CG2-SD 3.83Å; E283-M287 VanDerWaalsContact O-CG 3.31Å; E283-M287 WeakPolarHBondContact O-CG 3.31Å; E283-M287 PolarHBondContact O-N 3.07Å; Y284-M287 WeakPolarHBondContact O-CB 3.38Å; Y284-M287 PolarHBondContact O-N 2.81Å; M287-Q290 PolarHBondContact O-N 2.69Å; M287-L291 VanDerWaalsContact O-CB 3.31Å; M287-L291 WeakPolarHBondContact O-CB 3.26Å; M287-L291 PolarHBondContact O-N 2.88Å
288L94.5Very high93.9Very high16 Ų1644.2 Ų44.28%0.08425%0.251CS..Hα-helixtrans-61.9-48.4174.6-66.3179.1000111.7A270 A271 L274 Y284 P285 Q290 L291 S292A270-L288 HydrophobicContact CB-CD2 4.29Å; A270-L288 WeakPolarHBondContact O-CD2 3.03Å; A271-L288 HydrophobicContact CB-CD1 4.43Å; A271-L288 HydrophobicContact CB-CD2 3.88Å; L274-L288 HydrophobicContact CB-CD2 4.3Å; L274-L288 HydrophobicContact CD1-CD2 4.07Å; Y284-L288 HydrophobicContact CD1-CD1 4.11Å; Y284-L288 HydrophobicContact CD1-CG 4.49Å; Y284-L288 HydrophobicContact CE1-CD1 3.47Å; Y284-L288 VanDerWaalsContact CE1-CD1 3.47Å; Y284-L288 HydrophobicContact CE1-CG 4.08Å; Y284-L288 HydrophobicContact CE2-CD1 4.44Å; Y284-L288 HydrophobicContact CE2-CD2 4.12Å; Y284-L288 HydrophobicContact CE2-CG 4.24Å; Y284-L288 WeakPolarHBondContact O-CG 3.48Å; Y284-L288 PolarHBondContact O-N 3.41Å; P285-L288 WeakPolarHBondContact O-CB 3.43Å; P285-L288 PolarHBondContact O-N 3.37Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.8Å; L288-L291 PolarHBondContact O-N 2.83Å; L288-S292 WeakPolarHBondContact O-CB 3.25Å; L288-S292 PolarHBondContact O-N 2.92Å; L288-S292 PolarHBondContact O-OG 3.49Å
289D92.7Very high94Very high24 Ų2437.3 Ų37.313%0.12822%0.221CC..Hα-helixtrans-61.8-41.4179.3-75.1-30.3000110.8S73 K267 P285 E286 S293S73-D289 PolarHBondContact OG-OD1 3.35Å; S73-D289 PolarHBondContact OG-OD2 3.46Å; K267-D289 WeakPolarHBondContact CE-OD1 3.47Å; K267-D289 IonicContact NZ-OD1 3.38Å; K267-D289 PolarHBondContact NZ-OD1 3.22Å; P285-D289 PolarHBondContact O-N 3.45Å; E286-D289 PolarHBondContact O-N 2.89Å; D289-S293 VanDerWaalsContact O-CB 3.25Å; D289-S293 WeakPolarHBondContact O-CB 3.46Å; D289-S293 PolarHBondContact O-N 3.39Å
290Q94.4Very high94.2Very high11 Ų1133.5 Ų33.55%0.05118%0.181CC..Hα-helixtrans-67.9-42.4179.1-166-72.6-46.900112.4P235 H236 E286 M287 L288 S292 S293 V343 K344P235-Q290 VanDerWaalsContact CD-NE2 3.28Å; P235-Q290 VanDerWaalsContact CG-O 3.28Å; P235-Q290 WeakPolarHBondContact CG-O 3.28Å; H236-Q290 VanDerWaalsContact N-NE2 3.18Å; H236-Q290 PolarHBondContact ND1-NE2 3.44Å; E286-Q290 VanDerWaalsContact O-CB 3.23Å; E286-Q290 WeakPolarHBondContact O-CB 3.41Å; E286-Q290 PolarHBondContact O-N 2.88Å; M287-Q290 PolarHBondContact O-N 2.69Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.8Å; Q290-S292 VanDerWaalsContact C-N 3.35Å; Q290-S293 WeakPolarHBondContact O-CB 3.47Å; Q290-S293 PolarHBondContact O-N 3.4Å; Q290-S293 PolarHBondContact O-OG 3.22Å; Q290-S293 VanDerWaalsContact O-OG 3.05Å; Q290-V343 HydrophobicContact CB-CG1 3.62Å; Q290-V343 HydrophobicContact CG-CG1 3.94Å; Q290-K344 HydrophobicContact CG-CG 4.21Å
291L96Very high94.4Very high6 Ų628.1 Ų28.13%0.03115%0.148CC..Hα-helixtrans-73.5-29.4-177.1-173.361.2000112.3V232 L265 A270 F273 L274 M287 L288 C296V232-L291 HydrophobicContact CG1-CD1 4.38Å; L265-L291 HydrophobicContact CD1-CD1 4.21Å; L265-L291 HydrophobicContact CD1-CD2 3.95Å; L265-L291 HydrophobicContact CD1-CG 3.86Å; A270-L291 HydrophobicContact CB-CB 4.27Å; A270-L291 HydrophobicContact CB-CD2 4.12Å; A270-L291 HydrophobicContact CB-CG 4.25Å; F273-L291 HydrophobicContact CD1-CD2 3.56Å; F273-L291 HydrophobicContact CE1-CD2 4.11Å; L274-L291 HydrophobicContact CD1-CD2 3.89Å; L274-L291 HydrophobicContact CD2-CD2 4.47Å; L274-L291 HydrophobicContact CG-CD2 4.05Å; M287-L291 VanDerWaalsContact O-CB 3.31Å; M287-L291 WeakPolarHBondContact O-CB 3.26Å; M287-L291 PolarHBondContact O-N 2.88Å; L288-L291 PolarHBondContact O-N 2.83Å; L291-C296 HydrophobicContact CD1-CB 4.25Å
292S94.3Very high94.6Very high19 Ų1926.8 Ų26.813%0.13314%0.14CC..THydrogen-bonded Turntrans-91.84.7173.962.40000113.9L288 Q290 G294L288-S292 WeakPolarHBondContact O-CB 3.25Å; L288-S292 PolarHBondContact O-N 2.92Å; L288-S292 PolarHBondContact O-OG 3.49Å; Q290-S292 VanDerWaalsContact C-N 3.35Å; S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 2.96Å
293S93.1Very high94.7Very high25 Ų2519.8 Ų19.818%0.17511%0.108CC..SBendtrans-74.2-16.5-174.282.20000114.3T66 P235 D289 Q290T66-S293 PolarHBondContact N-O 3.48Å; T66-S293 WeakPolarHBondContact O-CB 3.5Å; P235-S293 WeakPolarHBondContact CB-OG 3.21Å; D289-S293 VanDerWaalsContact O-CB 3.25Å; D289-S293 WeakPolarHBondContact O-CB 3.46Å; D289-S293 PolarHBondContact O-N 3.39Å; Q290-S293 WeakPolarHBondContact O-CB 3.47Å; Q290-S293 PolarHBondContact O-N 3.4Å; Q290-S293 PolarHBondContact O-OG 3.22Å; Q290-S293 VanDerWaalsContact O-OG 3.05Å
294G91.6Very high94.6Very high8 Ų820.5 Ų20.58%0.08212%0.117CC..SBendtrans174-161.3-169.500000112.6Y62 S292Y62-G294 WeakPolarHBondContact OH-CA 3.36Å; S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 2.96Å
295P94.3Very high94.5Very high10 Ų1022.3 Ų22.37%0.06513%0.129CC..EExtended strand (participates in β ladder)trans-71.8130.7-179.930.8-33.1000110.9Y62 P235 V238 L262 Y263 R264Y62-P295 WeakPolarHBondContact OH-CD 3.25Å; P235-P295 WeakPolarHBondContact CA-O 3.37Å; V238-P295 HydrophobicContact CG1-CB 4.42Å; V238-P295 HydrophobicContact CG1-CG 4.02Å; L262-P295 HydrophobicContact CD1-CB 3.96Å; L262-P295 HydrophobicContact CD2-CB 3.67Å; L262-P295 HydrophobicContact CG-CB 3.89Å; Y263-P295 CarbonylContact O-C 3.59Å; Y263-P295 VanDerWaalsContact O-CA 3.26Å; Y263-P295 WeakPolarHBondContact O-CA 3.26Å; R264-P295 HydrophobicContact CG-CB 4.4Å
296C96.8Very high94.2Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-112.415916666.90000109.4V232 I233 P235 L262 Y263 L291V232-C296 HydrophobicContact CG1-CB 3.81Å; I233-C296 WeakPolarHBondContact O-CA 3.31Å; I233-C296 WeakPolarHBondContact O-CB 3.37Å; P235-C296 HydrophobicContact CG-CB 3.97Å; L262-C296 CarbonylContact C-O 3.52Å; L262-C296 VanDerWaalsContact CA-O 3.29Å; L262-C296 WeakPolarHBondContact CA-O 3.29Å; Y263-C296 PolarHBondContact N-O 3.18Å; Y263-C296 PolarHBondContact O-N 3.18Å; L291-C296 HydrophobicContact CD1-CB 4.25Å
297I97.2Very high94.2Very high0 Ų027 Ų270%016%0.159CC..EExtended strand (participates in β ladder)trans-119.9114.7176.9-61.1168.7000108.5L124 V232 I233 V238 T243 R261 L262 L299L124-I297 HydrophobicContact CD1-CD1 4.45Å; L124-I297 HydrophobicContact CD2-CG2 4.44Å; V232-I297 CarbonylContact C-O 3.59Å; V232-I297 WeakPolarHBondContact CA-O 3.23Å; I233-I297 HydrophobicContact CB-CB 4.17Å; I233-I297 HydrophobicContact CD1-CB 4.39Å; I233-I297 HydrophobicContact CG1-CB 4.44Å; I233-I297 PolarHBondContact N-O 2.92Å; I233-I297 PolarHBondContact O-N 3.28Å; V238-I297 HydrophobicContact CG1-CD1 4.22Å; V238-I297 HydrophobicContact CG2-CD1 3.99Å; V238-I297 HydrophobicContact CG2-CG1 4.01Å; T243-I297 HydrophobicContact CG2-CD1 3.35Å; R261-I297 CarbonylContact O-C 3.28Å; R261-I297 WeakPolarHBondContact O-CA 3.43Å; L262-I297 HydrophobicContact CB-CG1 4.07Å; L262-I297 HydrophobicContact CD1-CD1 4.46Å; L262-I297 HydrophobicContact CD1-CG1 4.18Å; L262-I297 HydrophobicContact CG-CG1 4.13Å; I297-L299 HydrophobicContact CG2-CD2 3.59Å; I297-L299 HydrophobicContact CG2-CG 4.23Å
298A96.2Very high94Very high0 Ų030.5 Ų30.50%018%0.178CC..EExtended strand (participates in β ladder)trans-84.1132.4170.700000109.3L230 C231 V232 A260 R261 Y263 F363 F364L230-A298 HydrophobicContact CD1-CB 4.19Å; C231-A298 CarbonylContact O-C 3.49Å; V232-A298 HydrophobicContact CG2-CB 4.44Å; A260-A298 CarbonylContact C-O 3.56Å; A260-A298 VanDerWaalsContact CA-O 3.3Å; A260-A298 WeakPolarHBondContact CA-O 3.43Å; R261-A298 PolarHBondContact N-O 3.38Å; R261-A298 PolarHBondContact O-N 3.31Å; Y263-A298 HydrophobicContact CD2-CB 4.03Å; Y263-A298 HydrophobicContact CE2-CB 3.9Å; A298-F363 HydrophobicContact CB-CB 3.91Å; A298-F363 HydrophobicContact CB-CD1 3.51Å; A298-F363 HydrophobicContact CB-CD2 4.29Å; A298-F363 HydrophobicContact CB-CE1 4.05Å; A298-F363 HydrophobicContact CB-CG 3.63Å; A298-F364 HydrophobicContact CB-CZ 4.09Å
299L96.7Very high94Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-124.8129.7177-52.5178.8000108.1C231 I233 W247 I250 V257 A259 A260 I297 I301C231-L299 HydrophobicContact CB-CB 4.16Å; C231-L299 PolarHBondContact N-O 2.81Å; C231-L299 PolarHBondContact O-N 2.7Å; I233-L299 HydrophobicContact CD1-CD1 3.94Å; I233-L299 HydrophobicContact CG1-CD1 4.15Å; W247-L299 HydrophobicContact CE3-CD2 4.1Å; W247-L299 HydrophobicContact CH2-CD2 4.31Å; W247-L299 HydrophobicContact CZ3-CD2 3.89Å; I250-L299 HydrophobicContact CD1-CD1 4.01Å; V257-L299 HydrophobicContact CG1-CB 4.22Å; V257-L299 HydrophobicContact CG1-CD2 3.99Å; V257-L299 HydrophobicContact CG2-CD1 4.28Å; A259-L299 CarbonylContact O-C 3.41Å; A259-L299 WeakPolarHBondContact O-CA 3.38Å; A260-L299 HydrophobicContact CB-CD2 3.51Å; I297-L299 HydrophobicContact CG2-CD2 3.59Å; I297-L299 HydrophobicContact CG2-CG 4.23Å; L299-I301 HydrophobicContact CB-CD1 3.73Å; L299-I301 HydrophobicContact CB-CG1 4.45Å; L299-I301 HydrophobicContact CD1-CD1 4.33Å
300E95.8Very high94.2Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans-86.2125.5162.5-173.5-172.8-138.800108.3A223 L224 L225 T228 V257 T258 A259 V360 F364A223-E300 WeakPolarHBondContact CA-OE2 3.43Å; A223-E300 WeakPolarHBondContact CB-OE2 3.45Å; L224-E300 VanDerWaalsContact N-CD 3.28Å; L224-E300 PolarHBondContact N-OE1 3.32Å; L224-E300 PolarHBondContact N-OE2 3.06Å; L225-E300 WeakPolarHBondContact CA-OE1 3.35Å; L225-E300 PolarHBondContact N-OE1 3.43Å; T228-E300 HydrophobicContact CG2-CG 3.82Å; T228-E300 PolarHBondContact OG1-OE1 3.28Å; V257-E300 CarbonylContact C-O 3.56Å; V257-E300 WeakPolarHBondContact CA-O 3.37Å; T258-E300 WeakPolarHBondContact CB-OE2 3.41Å; T258-E300 PolarHBondContact N-O 3.42Å; T258-E300 WeakPolarHBondContact OG1-CB 3.37Å; T258-E300 VanDerWaalsContact OG1-CG 3.23Å; T258-E300 WeakPolarHBondContact OG1-CG 3.35Å; T258-E300 PolarHBondContact OG1-O 2.94Å; T258-E300 PolarHBondContact OG1-OE2 3.41Å; A259-E300 HydrophobicContact CB-CB 3.8Å; A259-E300 PolarHBondContact O-N 2.8Å; E300-V360 HydrophobicContact CG-CG1 4.19Å; E300-F364 HydrophobicContact CB-CE2 3.82Å; E300-F364 HydrophobicContact CB-CZ 4.22Å
301I97Very high94.2Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-112132.9-175.2-52.6-57.6000109.9T228 T229 C231 I250 F255 R256 V257 L299 V310 F314T228-I301 CarbonylContact C-O 3.56Å; T228-I301 WeakPolarHBondContact CA-O 3.41Å; T228-I301 VanDerWaalsContact CB-O 3.27Å; T228-I301 WeakPolarHBondContact CB-O 3.45Å; T229-I301 HydrophobicContact CG2-CB 3.96Å; T229-I301 PolarHBondContact N-O 2.9Å; T229-I301 PolarHBondContact O-N 3.27Å; C231-I301 HydrophobicContact CB-CD1 4.13Å; C231-I301 HydrophobicContact CB-CG1 3.63Å; I250-I301 HydrophobicContact CD1-CD1 4.27Å; I250-I301 HydrophobicContact CG2-CD1 4.04Å; F255-I301 HydrophobicContact CB-CG2 3.76Å; F255-I301 HydrophobicContact CD1-CG2 3.87Å; F255-I301 HydrophobicContact CG-CG2 4.03Å; R256-I301 WeakPolarHBondContact O-CA 3.46Å; V257-I301 HydrophobicContact CG2-CD1 3.75Å; L299-I301 HydrophobicContact CB-CD1 3.73Å; L299-I301 HydrophobicContact CB-CG1 4.45Å; L299-I301 HydrophobicContact CD1-CD1 4.33Å; I301-V310 WeakPolarHBondContact O-CG1 3.5Å; I301-F314 HydrophobicContact CB-CD2 4.44Å; I301-F314 HydrophobicContact CB-CE2 4.46Å; I301-F314 HydrophobicContact CG1-CD2 4.46Å; I301-F314 HydrophobicContact CG1-CE1 4.38Å; I301-F314 HydrophobicContact CG1-CE2 4.01Å; I301-F314 HydrophobicContact CG1-CZ 3.98Å; I301-F314 HydrophobicContact CG2-CD2 3.73Å; I301-F314 HydrophobicContact CG2-CE2 3.91Å; I301-F314 HydrophobicContact CG2-CG 4.34Å
302D95.4Very high94.3Very high13 Ų1339.3 Ų39.37%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-121.3173.3167.490-1.4000111.5T228 F255 R256 T258T228-D302 HydrophobicContact CG2-CB 3.93Å; F255-D302 WeakPolarHBondContact CA-O 3.48Å; R256-D302 WeakPolarHBondContact CB-OD1 3.31Å; R256-D302 IonicContact CZ-OD1 3.81Å; R256-D302 IonicContact CZ-OD2 3.41Å; R256-D302 PolarHBondContact N-O 3.22Å; R256-D302 IonicContact NE-OD1 3.84Å; R256-D302 PolarHBondContact NE-OD1 2.96Å; R256-D302 IonicContact NE-OD2 3.21Å; R256-D302 PolarHBondContact NE-OD2 2.71Å; R256-D302 IonicContact NH2-OD1 3.39Å; R256-D302 PolarHBondContact NH2-OD1 3.04Å; R256-D302 IonicContact NH2-OD2 2.75Å; R256-D302 PolarHBondContact NH2-OD2 3.07Å; R256-D302 PolarHBondContact O-N 3.07Å; T258-D302 HydrophobicContact CG2-CB 3.91Å; T258-D302 WeakPolarHBondContact CG2-OD2 3.45Å
303I94.7Very high94.4Very high28 Ų2839.5 Ų39.514%0.14422%0.224CC..  trans-125.5135.4165.1-161.3165.3000108.8F255 D305 L308 V310F255-I303 HydrophobicContact CD1-CB 4.14Å; F255-I303 HydrophobicContact CD1-CD1 4.26Å; F255-I303 HydrophobicContact CD1-CG1 4.33Å; F255-I303 HydrophobicContact CE1-CB 4.41Å; F255-I303 HydrophobicContact CE1-CD1 3.99Å; I303-D305 PolarHBondContact O-N 3.46Å; I303-L308 HydrophobicContact CD1-CB 4.26Å; I303-L308 HydrophobicContact CD1-CD1 3.51Å; I303-L308 HydrophobicContact CG1-CD1 4.48Å; I303-L308 HydrophobicContact CG2-CB 4Å; I303-V310 HydrophobicContact CB-CG2 4.41Å; I303-V310 HydrophobicContact CG2-CB 4.46Å; I303-V310 HydrophobicContact CG2-CG2 3.64Å
304P91Very high94.6Very high69 Ų6938.3 Ų38.345%0.44822%0.216SC..SBendtrans-63.4-25.9179.4-20.228.4000114.6G254 R256 P306G254-P304 WeakPolarHBondContact O-CD 2.96Å; R256-P304 HydrophobicContact CG-CG 3.99Å; P304-P306 WeakPolarHBondContact O-CD 3.35Å
305D91.5Very high94.8Very high64 Ų6443 Ų4334%0.34223%0.231SC..  trans-76.9112.3-178.8-174.2-13.3000110.6I303 N307 L308I303-D305 PolarHBondContact O-N 3.46Å; D305-N307 PolarHBondContact O-N 2.87Å; D305-N307 VanDerWaalsContact O-N 3.15Å; D305-N307 WeakPolarHBondContact OD1-CB 3.4Å; D305-N307 PolarHBondContact OD1-N 3.36Å; D305-N307 PolarHBondContact OD1-ND2 3.07Å; D305-L308 HydrophobicContact CB-CD1 3.91Å; D305-L308 HydrophobicContact CB-CG 4.11Å; D305-L308 PolarHBondContact O-N 2.75Å
306P87.9Confident94.9Very high120 Ų12048 Ų4878%0.77925%0.253SS*.THydrogen-bonded Turntrans-69.1-11.3-176.730.7-36.7000113.8P304P304-P306 WeakPolarHBondContact O-CD 3.35Å
307N91.9Very high95Very high142 Ų14248.7 Ų48.776%0.75926%0.257SS*.THydrogen-bonded Turntrans-89.1-7.3-179.5-53.5-68.3000113.1D305D305-N307 PolarHBondContact O-N 2.87Å; D305-N307 VanDerWaalsContact O-N 3.15Å; D305-N307 WeakPolarHBondContact OD1-CB 3.4Å; D305-N307 PolarHBondContact OD1-N 3.36Å; D305-N307 PolarHBondContact OD1-ND2 3.07Å
308L92.2Very high95Very high85 Ų8548.7 Ų48.745%0.44526%0.257SS..SBendtrans-100.7136.9-176.9-65.6178.7000111.4I303 D305 V310I303-L308 HydrophobicContact CD1-CB 4.26Å; I303-L308 HydrophobicContact CD1-CD1 3.51Å; I303-L308 HydrophobicContact CG1-CD1 4.48Å; I303-L308 HydrophobicContact CG2-CB 4Å; D305-L308 HydrophobicContact CB-CD1 3.91Å; D305-L308 HydrophobicContact CB-CG 4.11Å; D305-L308 PolarHBondContact O-N 2.75Å; L308-V310 PolarHBondContact O-N 3.06Å
309N94.4Very high95.1Very high88 Ų8849 Ų4947%0.47126%0.26SS..  trans-76.5108.4170.2-175.9-64.6000109.3H311 Q312 A313N309-H311 PolarHBondContact O-N 3.35Å; N309-H311 PolarHBondContact OD1-N 3.4Å; N309-Q312 HydrophobicContact CB-CB 4.1Å; N309-Q312 PolarHBondContact O-N 2.93Å; N309-Q312 PolarHBondContact OD1-N 3.46Å; N309-A313 WeakPolarHBondContact O-CB 3.27Å; N309-A313 PolarHBondContact O-N 3.32Å
310V95.7Very high95Very high11 Ų1150.7 Ų50.77%0.06727%0.271CS..Hα-helixtrans-57.5-47-174.5-1710000111.9N227 T229 I301 I303 L308 A313 F314N227-V310 WeakPolarHBondContact O-CG2 3.38Å; T229-V310 HydrophobicContact CG2-CG1 4.05Å; I301-V310 WeakPolarHBondContact O-CG1 3.5Å; I303-V310 HydrophobicContact CB-CG2 4.41Å; I303-V310 HydrophobicContact CG2-CB 4.46Å; I303-V310 HydrophobicContact CG2-CG2 3.64Å; L308-V310 PolarHBondContact O-N 3.06Å; V310-A313 PolarHBondContact O-N 2.99Å; V310-F314 WeakPolarHBondContact O-CB 3.35Å; V310-F314 PolarHBondContact O-N 3.14Å
311H95.7Very high95Very high19 Ų1954.8 Ų54.89%0.08829%0.292CS..Hα-helixtrans-58.2-52179.4166.4-86.9000111.4N309 F314 R315 T350 D351 T356N309-H311 PolarHBondContact O-N 3.35Å; N309-H311 PolarHBondContact OD1-N 3.4Å; H311-F314 PolarHBondContact O-N 3.16Å; H311-R315 VanDerWaalsContact O-CB 3.32Å; H311-R315 WeakPolarHBondContact O-CB 3.46Å; H311-R315 PolarHBondContact O-N 3.09Å; H311-T350 PolarHBondContact NE2-O 2.95Å; H311-D351 PolarHBondContact CE1-O 3.24Å; H311-D351 VanDerWaalsContact CE1-O 3.31Å; H311-D351 PolarHBondContact NE2-O 2.88Å; H311-T356 PolarHBondContact CD2-OG1 2.8Å
312Q96.2Very high94.9Very high124 Ų12455.9 Ų55.958%0.57930%0.298SS*.Hα-helixtrans-63.3-47.3-179.1-177.4178.9-9.500111.7N309 F314 R315 E316N309-Q312 HydrophobicContact CB-CB 4.1Å; N309-Q312 PolarHBondContact O-N 2.93Å; N309-Q312 PolarHBondContact OD1-N 3.46Å; Q312-F314 VanDerWaalsContact C-N 3.32Å; Q312-F314 PolarHBondContact O-N 3.49Å; Q312-R315 PolarHBondContact O-N 3.29Å; Q312-E316 WeakPolarHBondContact O-CB 3.29Å; Q312-E316 PolarHBondContact O-N 3.19Å
313A96.6Very high95Very high23 Ų2355.3 Ų55.319%0.1929%0.294CS..Hα-helixtrans-61.7-41.6179.800000111.6F255 N309 V310 E316 F317F255-A313 HydrophobicContact CE1-CB 4.04Å; F255-A313 HydrophobicContact CZ-CB 4.01Å; N309-A313 WeakPolarHBondContact O-CB 3.27Å; N309-A313 PolarHBondContact O-N 3.32Å; V310-A313 PolarHBondContact O-N 2.99Å; A313-E316 PolarHBondContact O-N 3.44Å; A313-F317 PolarHBondContact O-N 3.1Å
314F97.5Very high95.1Very high1 Ų161.1 Ų61.10%0.00432%0.321CS..Hα-helixtrans-73.3-38.4-179.9-166.7-103.6000112.6T229 C231 I250 F255 I301 V310 H311 Q312 E316 F317 T318 L334 C349T229-F314 HydrophobicContact CG2-CB 3.69Å; T229-F314 HydrophobicContact CG2-CD1 3.78Å; T229-F314 HydrophobicContact CG2-CG 3.82Å; C231-F314 HydrophobicContact CB-CE1 3.57Å; C231-F314 HydrophobicContact CB-CZ 3.62Å; I250-F314 HydrophobicContact CD1-CE2 4.27Å; I250-F314 HydrophobicContact CD1-CZ 4.2Å; I250-F314 HydrophobicContact CG1-CE2 4.09Å; I250-F314 HydrophobicContact CG1-CZ 4.43Å; I250-F314 HydrophobicContact CG2-CE2 4.41Å; F255-F314 HydrophobicContact CD1-CD2 4.08Å; F255-F314 HydrophobicContact CD2-CD2 4.07Å; F255-F314 HydrophobicContact CD2-CE2 4.49Å; F255-F314 HydrophobicContact CE1-CB 4.02Å; F255-F314 HydrophobicContact CE1-CD2 4.05Å; F255-F314 HydrophobicContact CE2-CD2 4.04Å; F255-F314 HydrophobicContact CG-CD2 4.1Å; F255-F314 HydrophobicContact CZ-CB 4.18Å; F255-F314 HydrophobicContact CZ-CD2 4.05Å; I301-F314 HydrophobicContact CB-CD2 4.44Å; I301-F314 HydrophobicContact CB-CE2 4.46Å; I301-F314 HydrophobicContact CG1-CD2 4.46Å; I301-F314 HydrophobicContact CG1-CE1 4.38Å; I301-F314 HydrophobicContact CG1-CE2 4.01Å; I301-F314 HydrophobicContact CG1-CZ 3.98Å; I301-F314 HydrophobicContact CG2-CD2 3.73Å; I301-F314 HydrophobicContact CG2-CE2 3.91Å; I301-F314 HydrophobicContact CG2-CG 4.34Å; V310-F314 WeakPolarHBondContact O-CB 3.35Å; V310-F314 PolarHBondContact O-N 3.14Å; H311-F314 PolarHBondContact O-N 3.16Å; Q312-F314 VanDerWaalsContact C-N 3.32Å; Q312-F314 PolarHBondContact O-N 3.49Å; F314-E316 VanDerWaalsContact C-N 3.3Å; F314-E316 PolarHBondContact O-N 3.01Å; F314-F317 HydrophobicContact CD2-CD1 4.4Å; F314-F317 HydrophobicContact CE2-CD1 4.24Å; F314-F317 PolarHBondContact O-N 3.45Å; F314-T318 WeakPolarHBondContact O-CB 3.43Å; F314-T318 PolarHBondContact O-N 2.76Å; F314-T318 PolarHBondContact O-OG1 3.42Å; F314-L334 HydrophobicContact CE2-CD1 4.48Å; F314-L334 HydrophobicContact CZ-CD1 4.18Å; F314-C349 HydrophobicContact CD1-CB 4.16Å; F314-C349 HydrophobicContact CE1-CB 4.14Å
315R96.7Very high95.3Very high106 Ų10661.9 Ų61.940%0.432%0.32SS..Hα-helixtrans-61.3-42.3172.3-177173.9178.2163.110.4110.8H311 Q312 T318 G319 D351H311-R315 VanDerWaalsContact O-CB 3.32Å; H311-R315 WeakPolarHBondContact O-CB 3.46Å; H311-R315 PolarHBondContact O-N 3.09Å; Q312-R315 PolarHBondContact O-N 3.29Å; R315-T318 PolarHBondContact O-N 3.49Å; R315-G319 PolarHBondContact O-N 3.42Å; R315-D351 IonicContact CZ-OD1 3.73Å; R315-D351 IonicContact NE-OD1 3.92Å; R315-D351 PolarHBondContact NH1-O 3.26Å; R315-D351 IonicContact NH1-OD1 3Å; R315-D351 IonicContact NH2-OD1 2.71Å; R315-D351 PolarHBondContact NH2-OD1 2.74Å
316E96.7Very high95.6Very high114 Ų11458.8 Ų58.853%0.53330%0.304SS..Hα-helixtrans-59.1-48.9173.6-177.1174.5-178.800110.7Q312 A313 F314 T318 G319 R330Q312-E316 WeakPolarHBondContact O-CB 3.29Å; Q312-E316 PolarHBondContact O-N 3.19Å; A313-E316 PolarHBondContact O-N 3.44Å; F314-E316 VanDerWaalsContact C-N 3.3Å; F314-E316 PolarHBondContact O-N 3.01Å; E316-T318 VanDerWaalsContact C-N 3.34Å; E316-T318 PolarHBondContact O-N 2.97Å; E316-G319 PolarHBondContact O-N 3.3Å; E316-R330 PolarHBondContact O-NH1 3.42Å; E316-R330 PolarHBondContact O-NH2 3.45Å; E316-R330 IonicContact OE1-NH2 2.79Å
317F97.8Very high96.1Very high16 Ų1658.1 Ų58.17%0.0729%0.289CS..Hα-helixtrans-65-34.1178.7178-130.1000113.8A249 I250 K253 F255 A313 F314 G319 T333 L334A249-F317 HydrophobicContact CB-CZ 4.32Å; A249-F317 VanDerWaalsContact O-CZ 3.31Å; A249-F317 WeakPolarHBondContact O-CZ 3.41Å; I250-F317 HydrophobicContact CG1-CE1 4.2Å; K253-F317 HydrophobicContact CB-CD1 4.29Å; K253-F317 HydrophobicContact CB-CD2 4.28Å; K253-F317 HydrophobicContact CB-CE1 3.92Å; K253-F317 HydrophobicContact CB-CE2 3.92Å; K253-F317 HydrophobicContact CB-CG 4.45Å; K253-F317 HydrophobicContact CB-CZ 3.72Å; K253-F317 HydrophobicContact CD-CD2 4.05Å; K253-F317 HydrophobicContact CD-CE2 4.15Å; K253-F317 HydrophobicContact CG-CB 4.48Å; K253-F317 HydrophobicContact CG-CD1 4.09Å; K253-F317 HydrophobicContact CG-CD2 3.67Å; K253-F317 HydrophobicContact CG-CE1 4.19Å; K253-F317 HydrophobicContact CG-CE2 3.79Å; K253-F317 HydrophobicContact CG-CG 3.82Å; K253-F317 HydrophobicContact CG-CZ 4.05Å; F255-F317 AromaticContact CD2-CD1 3.98Å; F255-F317 HydrophobicContact CD2-CD1 3.98Å; F255-F317 HydrophobicContact CD2-CE1 4.42Å; F255-F317 HydrophobicContact CE2-CB 3.86Å; F255-F317 AromaticContact CE2-CD1 3.63Å; F255-F317 HydrophobicContact CE2-CD1 3.63Å; F255-F317 HydrophobicContact CE2-CE1 4.44Å; F255-F317 AromaticContact CE2-CG 3.92Å; F255-F317 HydrophobicContact CE2-CG 3.92Å; F255-F317 HydrophobicContact CZ-CB 4.27Å; A313-F317 PolarHBondContact O-N 3.1Å; F314-F317 HydrophobicContact CD2-CD1 4.4Å; F314-F317 HydrophobicContact CE2-CD1 4.24Å; F314-F317 PolarHBondContact O-N 3.45Å; F317-G319 VanDerWaalsContact C-N 3.35Å; F317-G319 PolarHBondContact O-N 3.04Å; F317-T333 VanDerWaalsContact O-CA 3.26Å; F317-T333 WeakPolarHBondContact O-CA 3.27Å; F317-T333 VanDerWaalsContact O-CB 3.29Å; F317-T333 WeakPolarHBondContact O-CB 3.42Å; F317-L334 HydrophobicContact CD1-CD1 3.91Å; F317-L334 HydrophobicContact CD1-CG 4.01Å; F317-L334 HydrophobicContact CE1-CD1 3.7Å; F317-L334 HydrophobicContact CE1-CD2 3.67Å; F317-L334 HydrophobicContact CE1-CG 3.6Å; F317-L334 HydrophobicContact CE2-CD2 4.47Å; F317-L334 HydrophobicContact CE2-CG 4.42Å; F317-L334 HydrophobicContact CZ-CD1 4.44Å; F317-L334 HydrophobicContact CZ-CD2 3.62Å; F317-L334 HydrophobicContact CZ-CG 3.84Å; F317-L334 PolarHBondContact O-N 3.21Å; F317-L334 VanDerWaalsContact O-N 3.14Å
318T97.9Very high96.3Very high0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-65.5-39.7178.7-60.70000111.5F314 R315 E316 L334 R335 I347 C349F314-T318 WeakPolarHBondContact O-CB 3.43Å; F314-T318 PolarHBondContact O-N 2.76Å; F314-T318 PolarHBondContact O-OG1 3.42Å; R315-T318 PolarHBondContact O-N 3.49Å; E316-T318 VanDerWaalsContact C-N 3.34Å; E316-T318 PolarHBondContact O-N 2.97Å; T318-L334 PolarHBondContact O-N 3.31Å; T318-R335 HydrophobicContact CG2-CG 3.85Å; T318-R335 WeakPolarHBondContact O-CB 3.3Å; T318-R335 VanDerWaalsContact O-CG 3.27Å; T318-R335 WeakPolarHBondContact O-CG 3.5Å; T318-R335 PolarHBondContact O-N 3.04Å; T318-I347 HydrophobicContact CG2-CB 4.26Å; T318-I347 HydrophobicContact CG2-CG2 3.95Å; T318-C349 HydrophobicContact CG2-CB 4.05Å
319G97.1Very high96.5Very high7 Ų762.1 Ų62.17%0.07230%0.296CS..  trans87.3-178.3174.800000115.3R315 E316 F317 R335R315-G319 PolarHBondContact O-N 3.42Å; E316-G319 PolarHBondContact O-N 3.3Å; F317-G319 VanDerWaalsContact C-N 3.35Å; F317-G319 PolarHBondContact O-N 3.04Å; G319-R335 PolarHBondContact O-NH1 3.19Å
320P95.7Very high96.6Very high35 Ų3562.1 Ų62.123%0.22729%0.29CS..  trans-54.8145.9-179.3-25.234.2000113.2D322 I325 A326 R335P320-D322 PolarHBondContact O-N 2.64Å; P320-I325 HydrophobicContact CB-CG2 4.21Å; P320-I325 HydrophobicContact CG-CG2 4.39Å; P320-A326 HydrophobicContact CB-CB 4.19Å; P320-A326 HydrophobicContact CG-CB 4.12Å; P320-R335 WeakPolarHBondContact O-CD 3.19Å
321I94.7Very high96.6Very high85 Ų8565.1 Ų65.144%0.43631%0.31SS..SBendtrans-58.1-33.2-178.3-168.5170.7000113P323 N345I321-P323 WeakPolarHBondContact O-CD 3.32Å; I321-N345 WeakPolarHBondContact O-CB 3.29Å; I321-N345 PolarHBondContact O-ND2 3.41Å; I321-N345 VanDerWaalsContact O-ND2 3.1Å
322D96Very high96.7Very high24 Ų2470.5 Ų70.513%0.12834%0.339CS..SBendtrans-89.4114.7177-168-34.2000110.4P320 E324 I325 A326 K342P320-D322 PolarHBondContact O-N 2.64Å; D322-E324 PolarHBondContact O-N 3.3Å; D322-E324 WeakPolarHBondContact OD1-CB 3.46Å; D322-E324 PolarHBondContact OD1-N 2.78Å; D322-I325 HydrophobicContact CB-CB 4.12Å; D322-I325 HydrophobicContact CB-CD1 3.92Å; D322-I325 HydrophobicContact CB-CG1 3.98Å; D322-I325 PolarHBondContact O-N 2.9Å; D322-A326 WeakPolarHBondContact O-CB 3.08Å; D322-A326 PolarHBondContact O-N 2.71Å; D322-K342 HydrophobicContact CB-CG 3.87Å; D322-K342 WeakPolarHBondContact OD2-CE 3.43Å; D322-K342 WeakPolarHBondContact OD2-CG 3.39Å
323P97.1Very high96.8Very high0 Ų064.8 Ų64.80%031%0.313CS..Hα-helixtrans-57.3-30.8177.4-29.539.7000114.8I321 A326 K327 R335 T341 N345I321-P323 WeakPolarHBondContact O-CD 3.32Å; P323-A326 PolarHBondContact O-N 3Å; P323-K327 WeakPolarHBondContact O-CB 3.42Å; P323-K327 WeakPolarHBondContact O-CD 3.31Å; P323-K327 WeakPolarHBondContact O-CG 3.47Å; P323-K327 PolarHBondContact O-N 3.27Å; P323-R335 WeakPolarHBondContact CB-O 3.32Å; P323-T341 VanDerWaalsContact CD-C 3.48Å; P323-T341 WeakPolarHBondContact CD-O 3.39Å; P323-T341 WeakPolarHBondContact CG-O 3.38Å; P323-N345 HydrophobicContact CG-CB 3.74Å
324E96.4Very high96.9Very high150 Ų15063.7 Ų63.770%0.70130%0.304SS*.Hα-helixtrans-69.3-47179.4-171.4177.6176.800110.7D322 A326 K327 Y328D322-E324 PolarHBondContact O-N 3.3Å; D322-E324 WeakPolarHBondContact OD1-CB 3.46Å; D322-E324 PolarHBondContact OD1-N 2.78Å; E324-A326 VanDerWaalsContact C-N 3.3Å; E324-A326 PolarHBondContact O-N 2.83Å; E324-K327 PolarHBondContact O-N 3.1Å; E324-Y328 PolarHBondContact O-N 3.21Å; E324-Y328 VanDerWaalsContact O-N 3.12Å
325I96.4Very high96.9Very high85 Ų8564.3 Ų64.344%0.43631%0.306SS..Hα-helixtrans-62.1-41.5173-61179.2000110.2P320 D322 Y328 L329P320-I325 HydrophobicContact CB-CG2 4.21Å; P320-I325 HydrophobicContact CG-CG2 4.39Å; D322-I325 HydrophobicContact CB-CB 4.12Å; D322-I325 HydrophobicContact CB-CD1 3.92Å; D322-I325 HydrophobicContact CB-CG1 3.98Å; D322-I325 PolarHBondContact O-N 2.9Å; I325-Y328 PolarHBondContact O-N 3.39Å; I325-L329 HydrophobicContact CG2-CD1 3.57Å; I325-L329 HydrophobicContact CG2-CG 4.2Å; I325-L329 WeakPolarHBondContact O-CB 3.14Å; I325-L329 PolarHBondContact O-N 2.81Å
326A97.1Very high97Very high0 Ų059.5 Ų59.50%029%0.289CS..Hα-helixtrans-60.6-45.1177.300000111.6P320 D322 P323 E324 Y328 R330 R335 A336P320-A326 HydrophobicContact CB-CB 4.19Å; P320-A326 HydrophobicContact CG-CB 4.12Å; D322-A326 WeakPolarHBondContact O-CB 3.08Å; D322-A326 PolarHBondContact O-N 2.71Å; P323-A326 PolarHBondContact O-N 3Å; E324-A326 VanDerWaalsContact C-N 3.3Å; E324-A326 PolarHBondContact O-N 2.83Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 2.78Å; A326-R330 CarbonylContact O-C 3.56Å; A326-R330 VanDerWaalsContact O-CA 3.31Å; A326-R330 WeakPolarHBondContact O-CA 3.33Å; A326-R330 PolarHBondContact O-N 3.08Å; A326-R335 HydrophobicContact CB-CB 4.39Å; A326-A336 HydrophobicContact CB-CB 3.76Å
327K97.5Very high97Very high106 Ų10659.7 Ų59.746%0.46129%0.285SS..Hα-helixtrans-60.7-39.2176.5-75.1163.2-169.5167.40112.4P323 E324 A336 G339P323-K327 WeakPolarHBondContact O-CB 3.42Å; P323-K327 WeakPolarHBondContact O-CD 3.31Å; P323-K327 WeakPolarHBondContact O-CG 3.47Å; P323-K327 PolarHBondContact O-N 3.27Å; E324-K327 PolarHBondContact O-N 3.1Å; K327-A336 WeakPolarHBondContact CE-O 3.37Å; K327-A336 HydrophobicContact CG-CB 4.04Å; K327-A336 VanDerWaalsContact CG-O 3.32Å; K327-A336 WeakPolarHBondContact CG-O 3.32Å; K327-G339 PolarHBondContact NZ-O 3.09Å; K327-G339 VanDerWaalsContact NZ-O 3.09Å
328Y96.9Very high97Very high200 Ų20060.1 Ų60.178%0.78429%0.286SS*.Hα-helixtrans-74.8-45.8-179.2-175.2-101.5000112.9E324 I325 A326E324-Y328 PolarHBondContact O-N 3.21Å; E324-Y328 VanDerWaalsContact O-N 3.12Å; I325-Y328 PolarHBondContact O-N 3.39Å; A326-Y328 VanDerWaalsContact C-N 3.31Å; A326-Y328 PolarHBondContact O-N 2.78Å
329L96.7Very high97Very high110 Ų11060.3 Ų60.358%0.57629%0.288SS*.Hα-helixtrans-90.9-36.2-173.1-63.5178.9000113.7I325I325-L329 HydrophobicContact CG2-CD1 3.57Å; I325-L329 HydrophobicContact CG2-CG 4.2Å; I325-L329 WeakPolarHBondContact O-CB 3.14Å; I325-L329 PolarHBondContact O-N 2.81Å
330R96.1Very high96.9Very high89 Ų8964.2 Ų64.234%0.33631%0.311SS..  trans-146.965.4-167.4-56.2-177.468.5-142.2-12.1110.7E316 A326 D332 T333E316-R330 PolarHBondContact O-NH1 3.42Å; E316-R330 PolarHBondContact O-NH2 3.45Å; E316-R330 IonicContact OE1-NH2 2.79Å; A326-R330 CarbonylContact O-C 3.56Å; A326-R330 VanDerWaalsContact O-CA 3.31Å; A326-R330 WeakPolarHBondContact O-CA 3.33Å; A326-R330 PolarHBondContact O-N 3.08Å; R330-D332 PolarHBondContact O-N 3.26Å; R330-D332 VanDerWaalsContact O-N 3.08Å; R330-T333 HydrophobicContact CB-CG2 3.64Å; R330-T333 WeakPolarHBondContact O-CB 3.16Å; R330-T333 WeakPolarHBondContact O-CG2 3.46Å; R330-T333 PolarHBondContact O-N 2.79Å; R330-T333 VanDerWaalsContact O-N 3.09Å; R330-T333 PolarHBondContact O-OG1 2.86Å
331P96.7Very high96.8Very high74 Ų7465.7 Ų65.748%0.48132%0.319SS..THydrogen-bonded Turntrans-60.8-22.6-168.723.1-34.6000114.8T333 A336P331-T333 VanDerWaalsContact C-N 3.28Å; P331-T333 PolarHBondContact O-N 2.86Å; P331-A336 WeakPolarHBondContact O-CB 2.92Å
332D96.3Very high96.8Very high131 Ų13166 Ų6670%0.70132%0.317SS*.THydrogen-bonded Turntrans-80.6-5.3-179.5-58.3-43.4000113.9R330R330-D332 PolarHBondContact O-N 3.26Å; R330-D332 VanDerWaalsContact O-N 3.08Å
333T98.3Very high96.7Very high5 Ų565.9 Ų65.93%0.03132%0.317CS..SBendtrans-74.5154.7-178.559.20000112.7F317 R330 P331 R335 A336 R337F317-T333 VanDerWaalsContact O-CA 3.26Å; F317-T333 WeakPolarHBondContact O-CA 3.27Å; F317-T333 VanDerWaalsContact O-CB 3.29Å; F317-T333 WeakPolarHBondContact O-CB 3.42Å; R330-T333 HydrophobicContact CB-CG2 3.64Å; R330-T333 WeakPolarHBondContact O-CB 3.16Å; R330-T333 WeakPolarHBondContact O-CG2 3.46Å; R330-T333 PolarHBondContact O-N 2.79Å; R330-T333 VanDerWaalsContact O-N 3.09Å; R330-T333 PolarHBondContact O-OG1 2.86Å; P331-T333 VanDerWaalsContact C-N 3.28Å; P331-T333 PolarHBondContact O-N 2.86Å; T333-R335 VanDerWaalsContact C-N 3.33Å; T333-R335 PolarHBondContact O-N 2.92Å; T333-A336 WeakPolarHBondContact O-CB 3.37Å; T333-A336 PolarHBondContact O-N 2.8Å; T333-A336 VanDerWaalsContact O-N 3.14Å; T333-A336 VanDerWaalsContact OG1-CB 3.29Å; T333-A336 WeakPolarHBondContact OG1-CB 3.41Å; T333-A336 PolarHBondContact OG1-N 3.43Å; T333-R337 WeakPolarHBondContact O-CG 3.4Å; T333-R337 PolarHBondContact O-N 2.71Å
334L98.4Very high96.6Very high0 Ų069.1 Ų69.10%033%0.332CS..Hα-helixtrans-58-44.4-179-66.2175.9000112.2A249 I250 F314 F317 T318 A336 R337 F338 I347A249-L334 HydrophobicContact CB-CD2 3.86Å; I250-L334 HydrophobicContact CG1-CD1 4.15Å; F314-L334 HydrophobicContact CE2-CD1 4.48Å; F314-L334 HydrophobicContact CZ-CD1 4.18Å; F317-L334 HydrophobicContact CD1-CD1 3.91Å; F317-L334 HydrophobicContact CD1-CG 4.01Å; F317-L334 HydrophobicContact CE1-CD1 3.7Å; F317-L334 HydrophobicContact CE1-CD2 3.67Å; F317-L334 HydrophobicContact CE1-CG 3.6Å; F317-L334 HydrophobicContact CE2-CD2 4.47Å; F317-L334 HydrophobicContact CE2-CG 4.42Å; F317-L334 HydrophobicContact CZ-CD1 4.44Å; F317-L334 HydrophobicContact CZ-CD2 3.62Å; F317-L334 HydrophobicContact CZ-CG 3.84Å; F317-L334 PolarHBondContact O-N 3.21Å; F317-L334 VanDerWaalsContact O-N 3.14Å; T318-L334 PolarHBondContact O-N 3.31Å; L334-A336 VanDerWaalsContact C-N 3.32Å; L334-A336 PolarHBondContact O-N 2.98Å; L334-R337 PolarHBondContact O-N 3.25Å; L334-F338 HydrophobicContact CD2-CD2 4.13Å; L334-F338 HydrophobicContact CD2-CE2 3.86Å; L334-F338 WeakPolarHBondContact O-CD2 3.45Å; L334-F338 PolarHBondContact O-N 3.14Å; L334-I347 HydrophobicContact CB-CG1 4.32Å; L334-I347 HydrophobicContact CD1-CG1 4.3Å
335R98.3Very high96.6Very high13 Ų1362 Ų625%0.04930%0.298CS..Hα-helixtrans-67.3-32.6178.9-66.5-178.7174.3147.6-2.4112.2T318 G319 P320 P323 A326 T333 G339 N345 I347 C349T318-R335 HydrophobicContact CG2-CG 3.85Å; T318-R335 WeakPolarHBondContact O-CB 3.3Å; T318-R335 VanDerWaalsContact O-CG 3.27Å; T318-R335 WeakPolarHBondContact O-CG 3.5Å; T318-R335 PolarHBondContact O-N 3.04Å; G319-R335 PolarHBondContact O-NH1 3.19Å; P320-R335 WeakPolarHBondContact O-CD 3.19Å; P323-R335 WeakPolarHBondContact CB-O 3.32Å; A326-R335 HydrophobicContact CB-CB 4.39Å; T333-R335 VanDerWaalsContact C-N 3.33Å; T333-R335 PolarHBondContact O-N 2.92Å; R335-G339 WeakPolarHBondContact O-CA 3.38Å; R335-G339 PolarHBondContact O-N 2.76Å; R335-N345 HydrophobicContact CG-CB 4.38Å; R335-N345 WeakPolarHBondContact CG-O 3.47Å; R335-I347 PolarHBondContact NE-O 3.3Å; R335-I347 PolarHBondContact NH2-O 2.92Å; R335-I347 VanDerWaalsContact NH2-O 3.12Å; R335-C349 PolarHBondContact NH2-SG 2.81Å; R335-C349 VanDerWaalsContact NH2-SG 3.39Å
336A98.1Very high96.7Very high5 Ų558 Ų584%0.04128%0.278CS..Hα-helixtrans-67-44.8173.500000112.1A326 K327 P331 T333 L334A326-A336 HydrophobicContact CB-CB 3.76Å; K327-A336 WeakPolarHBondContact CE-O 3.37Å; K327-A336 HydrophobicContact CG-CB 4.04Å; K327-A336 VanDerWaalsContact CG-O 3.32Å; K327-A336 WeakPolarHBondContact CG-O 3.32Å; P331-A336 WeakPolarHBondContact O-CB 2.92Å; T333-A336 WeakPolarHBondContact O-CB 3.37Å; T333-A336 PolarHBondContact O-N 2.8Å; T333-A336 VanDerWaalsContact O-N 3.14Å; T333-A336 VanDerWaalsContact OG1-CB 3.29Å; T333-A336 WeakPolarHBondContact OG1-CB 3.41Å; T333-A336 PolarHBondContact OG1-N 3.43Å; L334-A336 VanDerWaalsContact C-N 3.32Å; L334-A336 PolarHBondContact O-N 2.98Å
337R98Very high96.7Very high119 Ų11958 Ų5845%0.44928%0.278SS..Hα-helixtrans-73.9-39.6-175.4-69.2171.762.1-178.81.2113.3T333 L334T333-R337 WeakPolarHBondContact O-CG 3.4Å; T333-R337 PolarHBondContact O-N 2.71Å; L334-R337 PolarHBondContact O-N 3.25Å
338F98.1Very high96.7Very high24 Ų2453.2 Ų53.211%0.10526%0.257CS..Hα-helixtrans-118.7-11.8-168.2-53.8-65.3000113.7L242 K245 I246 A249 L334 A346L242-F338 HydrophobicContact CD1-CB 4.33Å; L242-F338 HydrophobicContact CD1-CD1 4.45Å; L242-F338 HydrophobicContact CD2-CD1 4.48Å; K245-F338 HydrophobicContact CB-CE1 3.8Å; K245-F338 HydrophobicContact CB-CZ 4.08Å; I246-F338 HydrophobicContact CD1-CB 4.23Å; I246-F338 HydrophobicContact CD1-CD2 4.42Å; I246-F338 HydrophobicContact CD1-CG 4.25Å; I246-F338 HydrophobicContact CG1-CB 4.21Å; I246-F338 HydrophobicContact CG1-CD1 4.18Å; I246-F338 HydrophobicContact CG1-CD2 3.53Å; I246-F338 HydrophobicContact CG1-CE1 4.46Å; I246-F338 HydrophobicContact CG1-CE2 3.85Å; I246-F338 HydrophobicContact CG1-CG 3.7Å; I246-F338 HydrophobicContact CG1-CZ 4.3Å; A249-F338 HydrophobicContact CB-CE2 4.16Å; A249-F338 HydrophobicContact CB-CZ 4.4Å; L334-F338 HydrophobicContact CD2-CD2 4.13Å; L334-F338 HydrophobicContact CD2-CE2 3.86Å; L334-F338 WeakPolarHBondContact O-CD2 3.45Å; L334-F338 PolarHBondContact O-N 3.14Å; F338-A346 HydrophobicContact CB-CB 3.54Å
339G97.2Very high96.6Very high4 Ų443.8 Ų43.84%0.04122%0.22CC..  trans-80.6146.3-179.600000114.1K327 R335K327-G339 PolarHBondContact NZ-O 3.09Å; K327-G339 VanDerWaalsContact NZ-O 3.09Å; R335-G339 WeakPolarHBondContact O-CA 3.38Å; R335-G339 PolarHBondContact O-N 2.76Å
340V94.8Very high96.4Very high90 Ų9038.6 Ų38.655%0.54519%0.193SC..  trans-108.7-52.8179.7-172.90000111.2K344V340-K344 WeakPolarHBondContact CA-O 3.36Å; V340-K344 HydrophobicContact CB-CB 4.14Å; V340-K344 PolarHBondContact N-O 2.88Å
341T94.3Very high96.1Very high66 Ų6636.2 Ų36.241%0.40519%0.187SC..SBendtrans-138.6172.9178.571.20000110.2P323 V343 K344 N345P323-T341 VanDerWaalsContact CD-C 3.48Å; P323-T341 WeakPolarHBondContact CD-O 3.39Å; P323-T341 WeakPolarHBondContact CG-O 3.38Å; T341-V343 PolarHBondContact O-N 2.89Å; T341-V343 PolarHBondContact OG1-N 2.96Å; T341-K344 PolarHBondContact N-O 3.3Å; T341-K344 VanDerWaalsContact N-O 3.14Å; T341-K344 CarbonylContact O-C 3.58Å; T341-K344 PolarHBondContact O-N 3.29Å; T341-K344 PolarHBondContact OG1-N 2.89Å; T341-N345 WeakPolarHBondContact O-CA 3.31Å; T341-N345 WeakPolarHBondContact O-CB 2.95Å; T341-N345 PolarHBondContact O-N 3.45Å; T341-N345 VanDerWaalsContact O-N 3.07Å
342K94.2Very high95.8Very high90 Ų9036.5 Ų36.539%0.39118%0.184SC..SBendtrans-51-39.7173.7-68.9-177.7179.8179.90113.5E283 D322 N345E283-K342 VanDerWaalsContact OE1-CD 3.29Å; E283-K342 WeakPolarHBondContact OE1-CD 3.16Å; E283-K342 IonicContact OE1-NZ 3.09Å; D322-K342 HydrophobicContact CB-CG 3.87Å; D322-K342 WeakPolarHBondContact OD2-CE 3.43Å; D322-K342 WeakPolarHBondContact OD2-CG 3.39Å; K342-N345 PolarHBondContact O-ND2 3.2Å
343V94.4Very high95.5Very high22 Ų2233.6 Ų33.613%0.13317%0.173CC..SBendtrans-81.3-42.7178.2176.70000111.2R234 E283 E286 Q290 T341 N345R234-V343 PolarHBondContact NH1-O 3.25Å; E283-V343 HydrophobicContact CB-CG2 3.94Å; E283-V343 HydrophobicContact CG-CG2 4.28Å; E286-V343 HydrophobicContact CB-CB 4.43Å; E286-V343 HydrophobicContact CB-CG1 3.97Å; E286-V343 HydrophobicContact CB-CG2 3.65Å; E286-V343 WeakPolarHBondContact O-CG1 3.18Å; Q290-V343 HydrophobicContact CB-CG1 3.62Å; Q290-V343 HydrophobicContact CG-CG1 3.94Å; T341-V343 PolarHBondContact O-N 2.89Å; T341-V343 PolarHBondContact OG1-N 2.96Å; V343-N345 PolarHBondContact O-N 3.08Å
344K94.8Very high95.2Very high69 Ų6939.8 Ų39.830%0.320%0.201SC..SBendtrans-95.660.1176-67-175.1179.7-175.90110.2H236 Q290 V340 T341H236-K344 HydrophobicContact CB-CD 4.17Å; H236-K344 HydrophobicContact CB-CG 4.24Å; H236-K344 VanDerWaalsContact CE1-CA 3.43Å; H236-K344 WeakPolarHBondContact CE1-CA 3.44Å; H236-K344 VanDerWaalsContact NE2-C 3.26Å; H236-K344 PolarHBondContact NE2-O 2.89Å; Q290-K344 HydrophobicContact CG-CG 4.21Å; V340-K344 WeakPolarHBondContact CA-O 3.36Å; V340-K344 HydrophobicContact CB-CB 4.14Å; V340-K344 PolarHBondContact N-O 2.88Å; T341-K344 PolarHBondContact N-O 3.3Å; T341-K344 VanDerWaalsContact N-O 3.14Å; T341-K344 CarbonylContact O-C 3.58Å; T341-K344 PolarHBondContact O-N 3.29Å; T341-K344 PolarHBondContact OG1-N 2.89Å
345N96.8Very high94.9Very high0 Ų040.9 Ų40.90%021%0.207CC..  trans-96.925.2-174.464.21.6000113.8R234 I321 P323 R335 T341 K342 V343 I347R234-N345 VanDerWaalsContact CD-OD1 3.29Å; R234-N345 WeakPolarHBondContact CD-OD1 3.34Å; R234-N345 PolarHBondContact NE-OD1 3.41Å; R234-N345 PolarHBondContact NH1-OD1 3.16Å; I321-N345 WeakPolarHBondContact O-CB 3.29Å; I321-N345 PolarHBondContact O-ND2 3.41Å; I321-N345 VanDerWaalsContact O-ND2 3.1Å; P323-N345 HydrophobicContact CG-CB 3.74Å; R335-N345 HydrophobicContact CG-CB 4.38Å; R335-N345 WeakPolarHBondContact CG-O 3.47Å; T341-N345 WeakPolarHBondContact O-CA 3.31Å; T341-N345 WeakPolarHBondContact O-CB 2.95Å; T341-N345 PolarHBondContact O-N 3.45Å; T341-N345 VanDerWaalsContact O-N 3.07Å; K342-N345 PolarHBondContact O-ND2 3.2Å; V343-N345 PolarHBondContact O-N 3.08Å; N345-I347 PolarHBondContact O-N 2.81Å; N345-I347 PolarHBondContact OD1-O 2.84Å
346A97.7Very high94.6Very high0 Ų040.8 Ų40.80%021%0.208CC..SBendtrans61.2-47.6-173.900000117.4R234 H236 A237 I246 F338R234-A346 WeakPolarHBondContact CB-O 2.92Å; R234-A346 PolarHBondContact N-O 3.31Å; H236-A346 WeakPolarHBondContact CE1-CA 3.31Å; H236-A346 PolarHBondContact CE1-N 2.79Å; H236-A346 VanDerWaalsContact NE2-CA 3.31Å; H236-A346 WeakPolarHBondContact NE2-CA 3.04Å; H236-A346 PolarHBondContact NE2-N 2.78Å; A237-A346 HydrophobicContact CB-CB 4.14Å; I246-A346 HydrophobicContact CD1-CB 4.24Å; F338-A346 HydrophobicContact CB-CB 3.54Å
347I97.4Very high94.2Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-131.7125.1-165.9-61.1-66.8000111.6C231 V232 I233 I246 T318 L334 R335 N345C231-I347 VanDerWaalsContact SG-CG2 3.58Å; V232-I347 WeakPolarHBondContact O-CA 3.24Å; I233-I347 HydrophobicContact CB-CD1 4.17Å; I233-I347 HydrophobicContact CG1-CD1 3.74Å; I233-I347 HydrophobicContact CG2-CD1 4.41Å; I246-I347 HydrophobicContact CD1-CD1 4.2Å; I246-I347 HydrophobicContact CG2-CD1 3.55Å; I246-I347 HydrophobicContact CG2-CG1 4.24Å; T318-I347 HydrophobicContact CG2-CB 4.26Å; T318-I347 HydrophobicContact CG2-CG2 3.95Å; L334-I347 HydrophobicContact CB-CG1 4.32Å; L334-I347 HydrophobicContact CD1-CG1 4.3Å; R335-I347 PolarHBondContact NE-O 3.3Å; R335-I347 PolarHBondContact NH2-O 2.92Å; R335-I347 VanDerWaalsContact NH2-O 3.12Å; N345-I347 PolarHBondContact O-N 2.81Å; N345-I347 PolarHBondContact OD1-O 2.84Å
348H97.2Very high94Very high7 Ų744.3 Ų44.33%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-81.8131.5154.5177.583.5000109C231 V232 F273 E359C231-H348 WeakPolarHBondContact CA-O 3.41Å; V232-H348 HydrophobicContact CB-CB 4.05Å; V232-H348 PolarHBondContact N-O 2.86Å; V232-H348 PolarHBondContact O-N 3.05Å; F273-H348 AromaticContact CE1-CD2 3.93Å; F273-H348 AromaticContact CE1-NE2 3.87Å; F273-H348 AromaticContact CZ-CD2 3.53Å; F273-H348 AromaticContact CZ-CE1 3.96Å; F273-H348 AromaticContact CZ-NE2 3.35Å; F273-H348 WeakPolarHBondContact CZ-NE2 3.25Å; H348-E359 IonicContact CD2-OE2 3.54Å; H348-E359 IonicContact CE1-OE1 3.82Å; H348-E359 IonicContact NE2-OE1 2.76Å; H348-E359 PolarHBondContact NE2-OE1 3.49Å; H348-E359 IonicContact NE2-OE2 2.89Å; H348-E359 PolarHBondContact NE2-OE2 3.33Å
349C94.6Very high93.8Very high1 Ų143.2 Ų43.21%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-124.2147.2165.663.40000106.7F314 T318 R335 D351F314-C349 HydrophobicContact CD1-CB 4.16Å; F314-C349 HydrophobicContact CE1-CB 4.14Å; T318-C349 HydrophobicContact CG2-CB 4.05Å; R335-C349 PolarHBondContact NH2-SG 2.81Å; R335-C349 VanDerWaalsContact NH2-SG 3.39Å; C349-D351 PolarHBondContact O-N 2.93Å
350T92.5Very high93.6Very high1 Ų143 Ų431%0.00622%0.218CC..  trans-55.4132.2173.2-50.70000110H311 L352 D355 E359H311-T350 PolarHBondContact NE2-O 2.95Å; T350-L352 WeakPolarHBondContact CG2-O 3.28Å; T350-D355 HydrophobicContact CG2-CB 3.69Å; T350-E359 WeakPolarHBondContact CA-OE2 3.33Å; T350-E359 WeakPolarHBondContact CB-OE2 3.46Å; T350-E359 HydrophobicContact CG2-CG 4.49Å; T350-E359 PolarHBondContact OG1-OE2 3.45Å
351D89.9Confident93.5Very high39 Ų3940.4 Ų40.421%0.20920%0.201CC..SBendtrans-82.9-49.2179.7-85.3-31.9000111.3Y277 H311 R315 C349Y277-D351 VanDerWaalsContact CE1-OD2 3.25Å; Y277-D351 WeakPolarHBondContact CE1-OD2 3.15Å; Y277-D351 PolarHBondContact OH-OD2 2.87Å; H311-D351 PolarHBondContact CE1-O 3.24Å; H311-D351 VanDerWaalsContact CE1-O 3.31Å; H311-D351 PolarHBondContact NE2-O 2.88Å; R315-D351 IonicContact CZ-OD1 3.73Å; R315-D351 IonicContact NE-OD1 3.92Å; R315-D351 PolarHBondContact NH1-O 3.26Å; R315-D351 IonicContact NH1-OD1 3Å; R315-D351 IonicContact NH2-OD1 2.71Å; R315-D351 PolarHBondContact NH2-OD1 2.74Å; C349-D351 PolarHBondContact O-N 2.93Å
352L91.3Very high93.4Very high80 Ų8038.1 Ų38.142%0.41919%0.185SC..SBendtrans-103.1137.5-176.8-61.1178.2000111.4T350 E354 D355T350-L352 WeakPolarHBondContact CG2-O 3.28Å; L352-E354 HydrophobicContact CB-CG 4.09Å; L352-E354 PolarHBondContact O-N 2.9Å; L352-D355 HydrophobicContact CB-CB 4.45Å; L352-D355 WeakPolarHBondContact O-CB 3.31Å; L352-D355 PolarHBondContact O-N 3.24Å
353P90Very high93.2Very high71 Ų7133.8 Ų33.846%0.46117%0.166SC..G310 helixtrans-58.8-36.3-178.421.9-30.2000112.3D355 T356P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 2.94Å; P353-T356 VanDerWaalsContact O-CB 3.23Å; P353-T356 WeakPolarHBondContact O-CB 3.2Å; P353-T356 PolarHBondContact O-N 3.03Å; P353-T356 PolarHBondContact O-OG1 2.89Å
354E91.1Very high93Very high135 Ų13533.5 Ų33.563%0.63116%0.163SC*.G310 helixtrans-64-25.2175.958.5-93.1-144.300114.4L352 T356L352-E354 HydrophobicContact CB-CG 4.09Å; L352-E354 PolarHBondContact O-N 2.9Å; E354-T356 VanDerWaalsContact C-N 3.3Å
355D92Very high92.6Very high22 Ų2233.4 Ų33.412%0.11817%0.166CC..G310 helixtrans-80.6-13.8177.3-84.4-52.1000112.7T350 L352 P353 E357 R358 E359T350-D355 HydrophobicContact CG2-CB 3.69Å; L352-D355 HydrophobicContact CB-CB 4.45Å; L352-D355 WeakPolarHBondContact O-CB 3.31Å; L352-D355 PolarHBondContact O-N 3.24Å; P353-D355 VanDerWaalsContact C-N 3.27Å; P353-D355 PolarHBondContact O-N 2.94Å; D355-E357 PolarHBondContact O-N 3.44Å; D355-R358 WeakPolarHBondContact O-CB 3.35Å; D355-R358 PolarHBondContact O-N 3.46Å; D355-R358 IonicContact OD1-CZ 2.73Å; D355-R358 IonicContact OD1-NE 3.39Å; D355-R358 PolarHBondContact OD1-NE 3.23Å; D355-R358 IonicContact OD1-NH2 3.74Å; D355-R358 PolarHBondContact OD1-NH2 3.49Å; D355-E359 HydrophobicContact CB-CG 4.5Å; D355-E359 WeakPolarHBondContact O-CB 3.38Å; D355-E359 WeakPolarHBondContact O-CG 3.33Å; D355-E359 PolarHBondContact O-N 3.07Å
356T92Very high92.1Very high12 Ų1237 Ų377%0.07419%0.186CC..Hα-helixtrans-60.6-51-169.6-52.90000112.3T228 T229 H311 P353 E354 R358 E359 V360T228-T356 WeakPolarHBondContact O-CG2 3.46Å; T229-T356 VanDerWaalsContact CA-CG2 3.41Å; H311-T356 PolarHBondContact CD2-OG1 2.8Å; P353-T356 VanDerWaalsContact O-CB 3.23Å; P353-T356 WeakPolarHBondContact O-CB 3.2Å; P353-T356 PolarHBondContact O-N 3.03Å; P353-T356 PolarHBondContact O-OG1 2.89Å; E354-T356 VanDerWaalsContact C-N 3.3Å; T356-R358 VanDerWaalsContact C-N 3.31Å; T356-R358 PolarHBondContact O-N 2.79Å; T356-E359 PolarHBondContact O-N 2.94Å; T356-V360 VanDerWaalsContact O-CG2 3.27Å; T356-V360 WeakPolarHBondContact O-CG2 3.3Å; T356-V360 PolarHBondContact O-N 3.12Å
357E90.9Very high91.5Very high112 Ų11239 Ų3952%0.52320%0.196SC..Hα-helixtrans-65-37179.2-179.4172.5-174.100111.4D355 N361D355-E357 PolarHBondContact O-N 3.44Å; E357-N361 VanDerWaalsContact CG-ND2 3.32Å; E357-N361 WeakPolarHBondContact CG-ND2 3.24Å; E357-N361 VanDerWaalsContact O-CB 3.22Å; E357-N361 WeakPolarHBondContact O-CB 3.47Å; E357-N361 PolarHBondContact O-N 3.5Å; E357-N361 PolarHBondContact O-ND2 2.85Å
358R92.2Very high90.1Very high86 Ų8640.7 Ų40.733%0.32521%0.205SC..Hα-helixtrans-62.6-49.3176.7-176.8-178.670.589.45.4110.9D355 T356 N361 Y362D355-R358 WeakPolarHBondContact O-CB 3.35Å; D355-R358 PolarHBondContact O-N 3.46Å; D355-R358 IonicContact OD1-CZ 2.73Å; D355-R358 IonicContact OD1-NE 3.39Å; D355-R358 PolarHBondContact OD1-NE 3.23Å; D355-R358 IonicContact OD1-NH2 3.74Å; D355-R358 PolarHBondContact OD1-NH2 3.49Å; T356-R358 VanDerWaalsContact C-N 3.31Å; T356-R358 PolarHBondContact O-N 2.79Å; R358-N361 PolarHBondContact O-N 3.07Å; R358-Y362 WeakPolarHBondContact O-CB 3.38Å; R358-Y362 PolarHBondContact O-N 3.29Å
359E94.7Very high88.5Confident0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-66.9-42.6-178.5-74.7-165.2-178.800112.2L230 F273 H348 T350 D355 T356 Y362 F363L230-E359 HydrophobicContact CB-CB 4.17Å; L230-E359 HydrophobicContact CD2-CB 3.68Å; F273-E359 HydrophobicContact CE2-CB 4.03Å; F273-E359 HydrophobicContact CE2-CG 3.73Å; F273-E359 HydrophobicContact CZ-CG 4.41Å; H348-E359 IonicContact CD2-OE2 3.54Å; H348-E359 IonicContact CE1-OE1 3.82Å; H348-E359 IonicContact NE2-OE1 2.76Å; H348-E359 PolarHBondContact NE2-OE1 3.49Å; H348-E359 IonicContact NE2-OE2 2.89Å; H348-E359 PolarHBondContact NE2-OE2 3.33Å; T350-E359 WeakPolarHBondContact CA-OE2 3.33Å; T350-E359 WeakPolarHBondContact CB-OE2 3.46Å; T350-E359 HydrophobicContact CG2-CG 4.49Å; T350-E359 PolarHBondContact OG1-OE2 3.45Å; D355-E359 HydrophobicContact CB-CG 4.5Å; D355-E359 WeakPolarHBondContact O-CB 3.38Å; D355-E359 WeakPolarHBondContact O-CG 3.33Å; D355-E359 PolarHBondContact O-N 3.07Å; T356-E359 PolarHBondContact O-N 2.94Å; E359-Y362 WeakPolarHBondContact O-CB 3.47Å; E359-Y362 PolarHBondContact O-N 3.09Å; E359-F363 PolarHBondContact O-N 3.43Å
360V92.9Very high88.2Confident0 Ų053.3 Ų53.30%026%0.261CS..Hα-helixtrans-63.7-46.1175.3177.80000110.6A223 L225 L230 E300 T356 Y362 F363 F364A223-V360 HydrophobicContact CB-CG1 4.47Å; L225-V360 HydrophobicContact CD2-CG1 3.63Å; L230-V360 HydrophobicContact CB-CG2 3.83Å; E300-V360 HydrophobicContact CG-CG1 4.19Å; T356-V360 VanDerWaalsContact O-CG2 3.27Å; T356-V360 WeakPolarHBondContact O-CG2 3.3Å; T356-V360 PolarHBondContact O-N 3.12Å; V360-Y362 VanDerWaalsContact C-N 3.28Å; V360-Y362 PolarHBondContact O-N 2.96Å; V360-F363 PolarHBondContact O-N 2.86Å; V360-F364 HydrophobicContact CG1-CD2 3.79Å; V360-F364 HydrophobicContact CG1-CE2 4.33Å; V360-F364 WeakPolarHBondContact O-CD2 3.46Å; V360-F364 PolarHBondContact O-N 2.99Å
361N91.6Very high88Confident36 Ų3656.1 Ų56.119%0.19327%0.274CS..Hα-helixtrans-62.3-35.9176.2-83.4-54.3000112.6E357 R358 F363 N365 N366E357-N361 VanDerWaalsContact CG-ND2 3.32Å; E357-N361 WeakPolarHBondContact CG-ND2 3.24Å; E357-N361 VanDerWaalsContact O-CB 3.22Å; E357-N361 WeakPolarHBondContact O-CB 3.47Å; E357-N361 PolarHBondContact O-N 3.5Å; E357-N361 PolarHBondContact O-ND2 2.85Å; R358-N361 PolarHBondContact O-N 3.07Å; N361-F363 PolarHBondContact O-N 3.42Å; N361-N365 WeakPolarHBondContact O-CA 3.46Å; N361-N365 WeakPolarHBondContact O-CB 3.42Å; N361-N365 PolarHBondContact O-N 3.46Å; N361-N365 PolarHBondContact OD1-ND2 3.27Å; N361-N366 PolarHBondContact O-N 2.69Å
362Y92.4Very high87.9Confident17 Ų1757 Ų577%0.06728%0.278CS..Iπ-helixtrans-55.1-52.5177.8-175.6-98.7000111.1D269 D272 F273 R358 E359 V360 N366 L367D269-Y362 VanDerWaalsContact CA-OH 3.27Å; D269-Y362 WeakPolarHBondContact CA-OH 3.31Å; D269-Y362 PolarHBondContact O-OH 3.39Å; D272-Y362 HydrophobicContact CB-CE2 4.39Å; D272-Y362 WeakPolarHBondContact OD2-CE2 3.44Å; F273-Y362 HydrophobicContact CB-CD1 4.09Å; F273-Y362 HydrophobicContact CB-CE1 3.66Å; F273-Y362 AromaticContact CD2-CD1 3.72Å; F273-Y362 HydrophobicContact CD2-CD1 3.72Å; F273-Y362 HydrophobicContact CD2-CE1 4.18Å; F273-Y362 HydrophobicContact CD2-CG 4.29Å; F273-Y362 HydrophobicContact CG-CD1 4.25Å; F273-Y362 HydrophobicContact CG-CE1 4.25Å; R358-Y362 WeakPolarHBondContact O-CB 3.38Å; R358-Y362 PolarHBondContact O-N 3.29Å; E359-Y362 WeakPolarHBondContact O-CB 3.47Å; E359-Y362 PolarHBondContact O-N 3.09Å; V360-Y362 VanDerWaalsContact C-N 3.28Å; V360-Y362 PolarHBondContact O-N 2.96Å; Y362-N366 WeakPolarHBondContact O-CB 3.26Å; Y362-N366 PolarHBondContact O-N 2.89Å; Y362-L367 HydrophobicContact CD1-CD1 4.15Å; Y362-L367 HydrophobicContact CD1-CG 4.26Å; Y362-L367 HydrophobicContact CE1-CD1 3.78Å; Y362-L367 HydrophobicContact CE1-CD2 3.98Å; Y362-L367 HydrophobicContact CE1-CG 3.87Å; Y362-L367 WeakPolarHBondContact O-CG 3.45Å; Y362-L367 PolarHBondContact O-N 2.85Å
363F91.5Very high87.6Confident0 Ų055.6 Ų55.60%027%0.27CS..Iπ-helixtrans-71.8-55.1-179.9-82.1-81.8000112.9L230 V232 Y263 L265 F273 A298 E359 V360 N361 L367L230-F363 HydrophobicContact CD1-CD2 4.02Å; L230-F363 HydrophobicContact CD1-CG 4.5Å; L230-F363 HydrophobicContact CD2-CD2 3.51Å; L230-F363 HydrophobicContact CD2-CE2 3.65Å; L230-F363 HydrophobicContact CG-CD2 4.43Å; V232-F363 HydrophobicContact CG1-CZ 4.41Å; V232-F363 HydrophobicContact CG2-CD2 4.35Å; V232-F363 HydrophobicContact CG2-CE2 3.65Å; V232-F363 HydrophobicContact CG2-CZ 3.77Å; Y263-F363 AromaticContact CD2-CD1 3.58Å; Y263-F363 HydrophobicContact CD2-CD1 3.58Å; Y263-F363 HydrophobicContact CD2-CE1 4.07Å; Y263-F363 HydrophobicContact CE2-CB 4.25Å; Y263-F363 AromaticContact CE2-CD1 3.7Å; Y263-F363 HydrophobicContact CE2-CD1 3.7Å; Y263-F363 HydrophobicContact CE2-CG 4.45Å; Y263-F363 HydrophobicContact CG-CD1 4.07Å; Y263-F363 HydrophobicContact CG-CE1 4.34Å; Y263-F363 PolarHBondContact OH-O 3.27Å; L265-F363 HydrophobicContact CD1-CE1 3.98Å; L265-F363 HydrophobicContact CD1-CZ 3.93Å; L265-F363 HydrophobicContact CD2-CE1 4.18Å; F273-F363 HydrophobicContact CD1-CE2 4.36Å; F273-F363 HydrophobicContact CD2-CD2 4.41Å; F273-F363 AromaticContact CD2-CE2 3.7Å; F273-F363 HydrophobicContact CD2-CE2 3.7Å; F273-F363 HydrophobicContact CD2-CZ 4.46Å; F273-F363 HydrophobicContact CE1-CE2 4.16Å; F273-F363 HydrophobicContact CE1-CZ 4.5Å; F273-F363 HydrophobicContact CE2-CD2 4.14Å; F273-F363 AromaticContact CE2-CE2 3.46Å; F273-F363 HydrophobicContact CE2-CE2 3.46Å; F273-F363 VanDerWaalsContact CE2-CE2 3.46Å; F273-F363 HydrophobicContact CE2-CZ 4.45Å; F273-F363 HydrophobicContact CG-CE2 4.15Å; F273-F363 HydrophobicContact CG-CZ 4.5Å; F273-F363 AromaticContact CZ-CE2 3.7Å; F273-F363 HydrophobicContact CZ-CE2 3.7Å; F273-F363 HydrophobicContact CZ-CZ 4.46Å; A298-F363 HydrophobicContact CB-CB 3.91Å; A298-F363 HydrophobicContact CB-CD1 3.51Å; A298-F363 HydrophobicContact CB-CD2 4.29Å; A298-F363 HydrophobicContact CB-CE1 4.05Å; A298-F363 HydrophobicContact CB-CG 3.63Å; E359-F363 PolarHBondContact O-N 3.43Å; V360-F363 PolarHBondContact O-N 2.86Å; N361-F363 PolarHBondContact O-N 3.42Å; F363-L367 HydrophobicContact CD1-CD1 3.75Å; F363-L367 HydrophobicContact CE1-CD1 4.05Å; F363-L367 HydrophobicContact CG-CD1 4.38Å
364F89.7Confident87.5Confident16 Ų1654.7 Ų54.77%0.0726%0.258CS..Iπ-helixtrans-86.1-9.9-167-63.6-70.6000115.1A223 L230 A259 R261 A298 E300 V360A223-F364 HydrophobicContact CB-CB 3.98Å; A223-F364 HydrophobicContact CB-CD2 4.19Å; A223-F364 HydrophobicContact CB-CG 4.06Å; L230-F364 HydrophobicContact CD1-CE2 4.14Å; A259-F364 HydrophobicContact CB-CD1 4.05Å; A259-F364 HydrophobicContact CB-CE1 3.7Å; A259-F364 HydrophobicContact CB-CE2 4.36Å; A259-F364 HydrophobicContact CB-CZ 3.86Å; R261-F364 HydrophobicContact CB-CE1 4.29Å; A298-F364 HydrophobicContact CB-CZ 4.09Å; E300-F364 HydrophobicContact CB-CE2 3.82Å; E300-F364 HydrophobicContact CB-CZ 4.22Å; V360-F364 HydrophobicContact CG1-CD2 3.79Å; V360-F364 HydrophobicContact CG1-CE2 4.33Å; V360-F364 WeakPolarHBondContact O-CD2 3.46Å; V360-F364 PolarHBondContact O-N 2.99Å
365N86.7Confident87.3Confident66 Ų6649.3 Ų49.335%0.35323%0.233SC..Iπ-helixtrans-129-36.9179.9-71.4-36.1000114.1N361 K369N361-N365 WeakPolarHBondContact O-CA 3.46Å; N361-N365 WeakPolarHBondContact O-CB 3.42Å; N361-N365 PolarHBondContact O-N 3.46Å; N361-N365 PolarHBondContact OD1-ND2 3.27Å; N365-K369 WeakPolarHBondContact O-CE 3.47Å; N365-K369 WeakPolarHBondContact O-CG 3.41Å
366N86.8Confident86.9Confident77 Ų7751.3 Ų51.341%0.41224%0.241SC..Iπ-helixtrans-87.7-45.5-173.3-67-17.9000113N361 Y362 D368 K369N361-N366 PolarHBondContact O-N 2.69Å; Y362-N366 WeakPolarHBondContact O-CB 3.26Å; Y362-N366 PolarHBondContact O-N 2.89Å; N366-D368 PolarHBondContact O-N 2.86Å; N366-D368 VanDerWaalsContact O-N 3.15Å; N366-K369 PolarHBondContact O-N 3.4Å
367L84.6Confident86.5Confident42 Ų4254.3 Ų54.322%0.2225%0.254CS..THydrogen-bonded Turntrans-66.4-11.9176.1-70.2179.7000113.6Y263 L265 D269 Y362 F363Y263-L367 HydrophobicContact CD1-CB 4.34Å; Y263-L367 HydrophobicContact CD1-CD1 3.96Å; Y263-L367 HydrophobicContact CE1-CB 3.97Å; Y263-L367 HydrophobicContact CE1-CD1 4.16Å; Y263-L367 HydrophobicContact CG-CD1 4.44Å; L265-L367 HydrophobicContact CD2-CD1 3.45Å; L265-L367 VanDerWaalsContact CD2-CD1 3.45Å; L265-L367 HydrophobicContact CD2-CD2 4.42Å; D269-L367 HydrophobicContact CB-CD2 4.15Å; Y362-L367 HydrophobicContact CD1-CD1 4.15Å; Y362-L367 HydrophobicContact CD1-CG 4.26Å; Y362-L367 HydrophobicContact CE1-CD1 3.78Å; Y362-L367 HydrophobicContact CE1-CD2 3.98Å; Y362-L367 HydrophobicContact CE1-CG 3.87Å; Y362-L367 WeakPolarHBondContact O-CG 3.45Å; Y362-L367 PolarHBondContact O-N 2.85Å; F363-L367 HydrophobicContact CD1-CD1 3.75Å; F363-L367 HydrophobicContact CE1-CD1 4.05Å; F363-L367 HydrophobicContact CG-CD1 4.38Å
368D68.5Low86.2Confident35 Ų3549.5 Ų49.519%0.18723%0.231CC..THydrogen-bonded Turntrans-94.8-1-178.9-76.2-16.9000114.2R261 N366R261-D368 IonicContact CZ-OD1 2.78Å; R261-D368 IonicContact CZ-OD2 2.83Å; R261-D368 IonicContact NE-OD1 2.76Å; R261-D368 IonicContact NH1-OD1 2.85Å; R261-D368 PolarHBondContact NH1-OD1 3.04Å; R261-D368 IonicContact NH1-OD2 3.62Å; R261-D368 PolarHBondContact NH1-OD2 3.39Å; R261-D368 IonicContact NH2-OD1 3.16Å; R261-D368 PolarHBondContact NH2-OD1 3.12Å; N366-D368 PolarHBondContact O-N 2.86Å; N366-D368 VanDerWaalsContact O-N 3.15Å
369K62.5Low85.6Confident219 Ų21946.2 Ų46.295%0.95222%0.223SC*.  trans-920173-66.3172.6-174.1167.60110.4N365 N366N365-K369 WeakPolarHBondContact O-CE 3.47Å; N365-K369 WeakPolarHBondContact O-CG 3.41Å; N366-K369 PolarHBondContact O-N 3.4Å

Retrieved 369 of 369 residues in 396 ms (Link to these results)

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