C4QFX9_SCHMA Loading...

Heat shock protein 70 (Hsp70)-4, putative

AlphaFold DB , UniProt , Accession C4QFX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 847 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
1M43.5Very low81.6Confident237 Ų23741.5 Ų41.5100%1.16725%0.252SS*.  0133.40-60.3-179.7-138.400107V3M1-V3 PolarHBondContact O-N 2.85Å
2A50.9Low82.8Confident79 Ų7939.3 Ų39.365%0.65324%0.24SC*.  trans-70.6125172.500000108.4S4A2-S4 PolarHBondContact O-N 3.1Å
3V60.1Low83.8Confident63 Ų6340.2 Ų40.238%0.38224%0.241SC..  trans-80.199.8176.9179.20000107.4M1 V5 A388 F389M1-V3 PolarHBondContact O-N 2.85Å; V3-V5 PolarHBondContact O-N 3.37Å; V3-A388 HydrophobicContact CB-CB 4.13Å; V3-A388 HydrophobicContact CG2-CB 4.21Å; V3-F389 WeakPolarHBondContact O-CE2 3.38Å
4S69.7Low84.7Confident22 Ų2240.2 Ų40.215%0.15424%0.242CC..  trans-63.9122.9-175.9-640000111.3A2 I135 S137A2-S4 PolarHBondContact O-N 3.1Å; S4-I135 WeakPolarHBondContact OG-CD1 3.32Å; S4-S137 PolarHBondContact OG-OG 2.91Å; S4-S137 VanDerWaalsContact OG-OG 3.05Å
5V87.4Confident85.7Confident5 Ų537.5 Ų37.53%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-89.3114.2179.6165.50000108.7V3 V19 A20 A379 A382 A383 F389V3-V5 PolarHBondContact O-N 3.37Å; V5-V19 WeakPolarHBondContact O-CA 3.17Å; V5-A20 HydrophobicContact CB-CB 3.9Å; V5-A20 HydrophobicContact CG1-CB 3.74Å; V5-A20 PolarHBondContact O-N 2.82Å; V5-A379 WeakPolarHBondContact CG1-O 3.32Å; V5-A382 HydrophobicContact CG1-CB 3.59Å; V5-A383 HydrophobicContact CG1-CB 3.8Å; V5-A383 VanDerWaalsContact CG1-N 3.25Å; V5-F389 HydrophobicContact CG2-CB 4.05Å; V5-F389 HydrophobicContact CG2-CD1 4.38Å; V5-F389 HydrophobicContact CG2-CD2 3.56Å; V5-F389 HydrophobicContact CG2-CE2 4.05Å; V5-F389 HydrophobicContact CG2-CG 3.74Å
6V96.1Very high86.5Confident0 Ų036.8 Ų36.80%022%0.218CC..EExtended strand (participates in β ladder)trans-127134.1-169.6-1770000111.3F8 I17 G18 T131 V139 V142 V143 A382V6-F8 HydrophobicContact CG1-CD1 3.91Å; V6-F8 HydrophobicContact CG1-CE1 3.48Å; V6-F8 VanDerWaalsContact CG1-CE1 3.48Å; V6-F8 HydrophobicContact CG1-CZ 4.14Å; V6-I17 HydrophobicContact CG1-CG2 4.19Å; V6-G18 WeakPolarHBondContact CA-O 3.42Å; V6-T131 HydrophobicContact CG1-CG2 4.03Å; V6-T131 HydrophobicContact CG2-CG2 3.84Å; V6-V139 HydrophobicContact CB-CG1 4.35Å; V6-V139 HydrophobicContact CG2-CG1 4.03Å; V6-V139 HydrophobicContact CG2-CG2 4.08Å; V6-V142 HydrophobicContact CB-CG1 4.23Å; V6-V142 HydrophobicContact CG1-CG1 4.22Å; V6-V142 WeakPolarHBondContact O-CA 3.36Å; V6-V143 PolarHBondContact O-N 3.34Å; V6-A382 WeakPolarHBondContact O-CB 3.48Å
7G98Very high87.2Confident0 Ų034.8 Ų34.80%021%0.206CC..EExtended strand (participates in β ladder)trans-122.8127.2173.500000111.5G18 V143G7-G18 PolarHBondContact N-O 3.33Å; G7-G18 PolarHBondContact O-N 3Å; G7-V143 CarbonylContact C-O 3.59Å; G7-V143 WeakPolarHBondContact CA-O 3.44Å
8F98.6Very high87.8Confident0 Ų032.8 Ų32.80%020%0.195CC..EExtended strand (participates in β ladder)trans-101.9129.9172.7-63.5-24.6000110.8V6 I10 I17 L127 V142 V143 V144 N145 L167 C378V6-F8 HydrophobicContact CG1-CD1 3.91Å; V6-F8 HydrophobicContact CG1-CE1 3.48Å; V6-F8 VanDerWaalsContact CG1-CE1 3.48Å; V6-F8 HydrophobicContact CG1-CZ 4.14Å; F8-I10 HydrophobicContact CB-CD1 4.21Å; F8-I10 HydrophobicContact CB-CG1 3.99Å; F8-I10 HydrophobicContact CD2-CD1 4.48Å; F8-I17 HydrophobicContact CD1-CB 4.37Å; F8-I17 HydrophobicContact CD1-CG1 4.01Å; F8-I17 HydrophobicContact CD1-CG2 4.04Å; F8-I17 HydrophobicContact CE1-CB 4.46Å; F8-I17 HydrophobicContact CE1-CG1 4.01Å; F8-I17 HydrophobicContact CE1-CG2 3.84Å; F8-L127 HydrophobicContact CB-CD1 4.4Å; F8-L127 HydrophobicContact CD1-CB 4.26Å; F8-L127 HydrophobicContact CD1-CD1 4.34Å; F8-L127 HydrophobicContact CD2-CB 4.42Å; F8-L127 HydrophobicContact CD2-CD1 4.19Å; F8-L127 HydrophobicContact CE1-CB 3.81Å; F8-L127 HydrophobicContact CE2-CB 3.97Å; F8-L127 HydrophobicContact CG-CD1 4.09Å; F8-L127 HydrophobicContact CZ-CB 3.66Å; F8-V142 HydrophobicContact CD2-CG1 4.45Å; F8-V142 HydrophobicContact CE2-CG1 4.01Å; F8-V142 HydrophobicContact CZ-CG1 4.18Å; F8-V143 PolarHBondContact N-O 3.07Å; F8-V144 HydrophobicContact CD2-CG2 4.48Å; F8-N145 PolarHBondContact O-N 2.97Å; F8-N145 PolarHBondContact O-OD1 3.41Å; F8-L167 HydrophobicContact CE2-CD1 3.81Å; F8-C378 PolarHBondContact O-SG 3.08Å
9D98.6Very high88.2Confident15 Ų1531.2 Ų31.28%0.0819%0.185CC..EExtended strand (participates in β ladder)trans-96.1124154.5176.211.7000108G11 S15 Y16 N145 V374 A375D9-G11 PolarHBondContact OD1-N 3.18Å; D9-S15 CarbonylContact O-C 3.58Å; D9-S15 WeakPolarHBondContact O-CA 3.34Å; D9-S15 VanDerWaalsContact O-CB 3.27Å; D9-S15 WeakPolarHBondContact O-CB 3.48Å; D9-Y16 PolarHBondContact N-O 3.2Å; D9-Y16 PolarHBondContact O-N 3.08Å; D9-N145 VanDerWaalsContact CA-OD1 3.24Å; D9-N145 WeakPolarHBondContact CA-OD1 3.24Å; D9-N145 PolarHBondContact OD1-ND2 3.15Å; D9-V374 HydrophobicContact CB-CB 4.11Å; D9-V374 HydrophobicContact CB-CG1 3.86Å; D9-A375 HydrophobicContact CB-CB 3.87Å
10I98.5Very high88.2Confident13 Ų1330.2 Ų30.27%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-124.768.8179.3-46.8-177.6000109.5F8 T39 T70 L120 Q123 M124 L127 V144 N145F8-I10 HydrophobicContact CB-CD1 4.21Å; F8-I10 HydrophobicContact CB-CG1 3.99Å; F8-I10 HydrophobicContact CD2-CD1 4.48Å; I10-T39 HydrophobicContact CG2-CG2 4.15Å; I10-T70 HydrophobicContact CG2-CG2 4.07Å; I10-L120 HydrophobicContact CD1-CD1 4.11Å; I10-L120 HydrophobicContact CG2-CD1 3.9Å; I10-Q123 HydrophobicContact CG2-CG 4.44Å; I10-M124 HydrophobicContact CD1-CE 3.59Å; I10-M124 HydrophobicContact CD1-CG 3.7Å; I10-L127 HydrophobicContact CD1-CD1 4Å; I10-L127 HydrophobicContact CG1-CD1 3.94Å; I10-V144 HydrophobicContact CD1-CG1 3.94Å; I10-V144 HydrophobicContact CG1-CG1 4.31Å; I10-N145 PolarHBondContact N-OD1 3.45Å
11G96.8Very high88Confident23 Ų2334.2 Ų34.224%0.23719%0.192CC..  trans-64.7163.9173.900000113.6D9 L13 T14 T39D9-G11 PolarHBondContact OD1-N 3.18Å; G11-L13 PolarHBondContact O-N 3.22Å; G11-L13 VanDerWaalsContact O-N 3.08Å; G11-T14 VanDerWaalsContact CA-O 3.32Å; G11-T14 WeakPolarHBondContact CA-O 3.38Å; G11-T14 PolarHBondContact N-O 3.42Å; G11-T14 VanDerWaalsContact N-O 3.07Å; G11-T39 VanDerWaalsContact O-CB 3.22Å; G11-T39 WeakPolarHBondContact O-CB 3.42Å; G11-T39 WeakPolarHBondContact O-CG2 3.43Å; G11-T39 PolarHBondContact O-OG1 2.57Å
12S94.9Very high89.7Confident15 Ų1527.4 Ų27.411%0.10518%0.182CC..SBendtrans-65.5-10.3-177.3-50.70000116S208S12-S208 WeakPolarHBondContact CB-OG 3.39Å; S12-S208 PolarHBondContact OG-OG 3.11Å
13L96.1Very high91.2Very high50 Ų5028 Ų2826%0.26220%0.196SC..SBendtrans-125.9-40.9-178.5-177.868.9000112.3G11 T39 Y207G11-L13 PolarHBondContact O-N 3.22Å; G11-L13 VanDerWaalsContact O-N 3.08Å; L13-T39 PolarHBondContact O-N 2.86Å; L13-Y207 HydrophobicContact CB-CD1 3.91Å; L13-Y207 HydrophobicContact CB-CD2 4.35Å; L13-Y207 HydrophobicContact CB-CG 3.73Å; L13-Y207 HydrophobicContact CD1-CD2 4.45Å; L13-Y207 HydrophobicContact CD1-CE2 4.45Å; L13-Y207 HydrophobicContact CD2-CD2 3.8Å; L13-Y207 HydrophobicContact CD2-CE2 4.42Å; L13-Y207 HydrophobicContact CD2-CG 4.01Å; L13-Y207 HydrophobicContact CG-CD2 4.43Å; L13-Y207 HydrophobicContact CG-CG 4.3Å
14T97.4Very high92.5Very high41 Ų4126.8 Ų26.825%0.25220%0.196SC..EExtended strand (participates in β ladder)trans-137.7149.5-179.4530000110.4G11 A36 T37 T39G11-T14 VanDerWaalsContact CA-O 3.32Å; G11-T14 WeakPolarHBondContact CA-O 3.38Å; G11-T14 PolarHBondContact N-O 3.42Å; G11-T14 VanDerWaalsContact N-O 3.07Å; T14-A36 HydrophobicContact CG2-CB 4.16Å; T14-T37 CarbonylContact C-O 3.59Å; T14-T37 WeakPolarHBondContact CA-O 3.48Å; T14-T39 WeakPolarHBondContact CA-OG1 3.31Å; T14-T39 PolarHBondContact N-OG1 3.34Å; T14-T39 PolarHBondContact O-OG1 3.08Å
15S98.6Very high93.6Very high0 Ų026.4 Ų26.40%019%0.193CC..EExtended strand (participates in β ladder)trans-113.3149.7171.7-53.10000109.9D9 T37 T39 Q123D9-S15 CarbonylContact O-C 3.58Å; D9-S15 WeakPolarHBondContact O-CA 3.34Å; D9-S15 VanDerWaalsContact O-CB 3.27Å; D9-S15 WeakPolarHBondContact O-CB 3.48Å; S15-T37 PolarHBondContact N-O 3.05Å; S15-T37 PolarHBondContact O-N 3.2Å; S15-T39 PolarHBondContact N-OG1 3.46Å; S15-T39 PolarHBondContact OG-OG1 3.42Å; S15-Q123 PolarHBondContact OG-NE2 2.86Å
16Y98.7Very high93.9Very high25 Ų2528.8 Ų28.810%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-132.8146.4175.6-61.8-89.3000110D9 V27 R35 A36 D371D9-Y16 PolarHBondContact N-O 3.2Å; D9-Y16 PolarHBondContact O-N 3.08Å; Y16-V27 HydrophobicContact CD1-CG1 4.32Å; Y16-R35 WeakPolarHBondContact CD1-O 3.5Å; Y16-A36 HydrophobicContact CD1-CB 4.28Å; Y16-A36 HydrophobicContact CE1-CB 3.47Å; Y16-A36 VanDerWaalsContact CE1-CB 3.47Å; Y16-D371 WeakPolarHBondContact CD2-O 3.15Å; Y16-D371 HydrophobicContact CE1-CB 4.29Å; Y16-D371 HydrophobicContact CE2-CB 4.35Å; Y16-D371 WeakPolarHBondContact CE2-O 3.26Å
17I98.6Very high94Very high3 Ų328.9 Ų28.92%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-115.8111.2-178-56.6162.6000109.3V6 F8 V19 V27 I28 L127 I130 T131V6-I17 HydrophobicContact CG1-CG2 4.19Å; F8-I17 HydrophobicContact CD1-CB 4.37Å; F8-I17 HydrophobicContact CD1-CG1 4.01Å; F8-I17 HydrophobicContact CD1-CG2 4.04Å; F8-I17 HydrophobicContact CE1-CB 4.46Å; F8-I17 HydrophobicContact CE1-CG1 4.01Å; F8-I17 HydrophobicContact CE1-CG2 3.84Å; I17-V19 HydrophobicContact CG2-CG2 4.1Å; I17-V27 CarbonylContact O-C 3.58Å; I17-V27 WeakPolarHBondContact O-CA 3.49Å; I17-V27 WeakPolarHBondContact O-CG1 3.13Å; I17-I28 HydrophobicContact CB-CD1 4.1Å; I17-I28 HydrophobicContact CB-CG1 3.67Å; I17-I28 HydrophobicContact CD1-CD1 4.17Å; I17-I28 HydrophobicContact CD1-CG1 4.29Å; I17-I28 HydrophobicContact CG2-CD1 3.7Å; I17-I28 HydrophobicContact CG2-CG1 3.7Å; I17-I28 PolarHBondContact O-N 3.32Å; I17-L127 HydrophobicContact CD1-CB 4.03Å; I17-L127 HydrophobicContact CD1-CD2 3.91Å; I17-L127 WeakPolarHBondContact CD1-O 3.32Å; I17-L127 HydrophobicContact CG1-CB 4.17Å; I17-L127 HydrophobicContact CG1-CD2 3.97Å; I17-L127 HydrophobicContact CG1-CG 4.49Å; I17-I130 HydrophobicContact CD1-CB 3.93Å; I17-I130 HydrophobicContact CD1-CD1 4.45Å; I17-I130 HydrophobicContact CD1-CG2 3.69Å; I17-T131 HydrophobicContact CG2-CG2 4.12Å; I17-T131 WeakPolarHBondContact CG2-OG1 3.42Å
18G97.7Very high94Very high0 Ų029.1 Ų29.10%021%0.206CC..EExtended strand (participates in β ladder)trans-89.8136.5169.500000111.4V6 G7 E26V6-G18 WeakPolarHBondContact CA-O 3.42Å; G7-G18 PolarHBondContact N-O 3.33Å; G7-G18 PolarHBondContact O-N 3Å; G18-E26 CarbonylContact C-O 3.38Å; G18-E26 VanDerWaalsContact CA-O 3.32Å; G18-E26 WeakPolarHBondContact CA-O 3.38Å
19V95.5Very high93.9Very high2 Ų231.7 Ų31.71%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-130.3135.6175.2-175.30000109.2V5 I17 V25 E26 I28 T131 I135V5-V19 WeakPolarHBondContact O-CA 3.17Å; I17-V19 HydrophobicContact CG2-CG2 4.1Å; V19-V25 WeakPolarHBondContact O-CA 3.42Å; V19-E26 PolarHBondContact N-O 2.98Å; V19-E26 PolarHBondContact O-N 3.29Å; V19-I28 HydrophobicContact CB-CG2 4.46Å; V19-I28 HydrophobicContact CG2-CD1 4.18Å; V19-I28 HydrophobicContact CG2-CG1 4.39Å; V19-I28 HydrophobicContact CG2-CG2 3.96Å; V19-T131 HydrophobicContact CG2-CG2 3.88Å; V19-I135 HydrophobicContact CG1-CG2 4.15Å
20A89.3Confident93.9Very high10 Ų1031.5 Ų31.58%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-89114.5168.600000110.3V5 G24 V25V5-A20 HydrophobicContact CB-CB 3.9Å; V5-A20 HydrophobicContact CG1-CB 3.74Å; V5-A20 PolarHBondContact O-N 2.82Å; A20-G24 CarbonylContact C-O 3.53Å; A20-G24 VanDerWaalsContact CA-O 3.28Å; A20-G24 WeakPolarHBondContact CA-O 3.49Å; A20-V25 HydrophobicContact CB-CG2 3.97Å
21R83.6Confident93.7Very high116 Ų11635.6 Ų35.644%0.43824%0.239SC..EExtended strand (participates in β ladder)trans-148.9158.2175.470.4176.1-170.8-173.6-8111.2G23 G24 E26R21-G23 PolarHBondContact O-N 2.88Å; R21-G23 VanDerWaalsContact O-N 3.13Å; R21-G24 PolarHBondContact N-O 2.73Å; R21-G24 CarbonylContact O-C 3.55Å; R21-G24 PolarHBondContact O-N 2.67Å; R21-G24 VanDerWaalsContact O-O 3.06Å; R21-E26 HydrophobicContact CG-CG 4.17Å; R21-E26 VanDerWaalsContact CZ-CD 3.48Å; R21-E26 IonicContact CZ-OE1 3.69Å; R21-E26 IonicContact CZ-OE2 2.66Å; R21-E26 VanDerWaalsContact CZ-OE2 3.27Å; R21-E26 IonicContact NE-OE1 2.72Å; R21-E26 PolarHBondContact NE-OE1 2.89Å; R21-E26 IonicContact NE-OE2 3.21Å; R21-E26 PolarHBondContact NE-OE2 2.82Å; R21-E26 IonicContact NH2-OE1 3.08Å; R21-E26 PolarHBondContact NH2-OE1 2.83Å; R21-E26 IonicContact NH2-OE2 3.48Å; R21-E26 PolarHBondContact NH2-OE2 3.38Å
22G79.4Confident93.7Very high93 Ų9339.5 Ų39.596%0.95925%0.248SC*.THydrogen-bonded Turntrans61.522.2175.700000115.6G24G22-G24 VanDerWaalsContact C-N 3.35Å
23G81.3Confident93.8Very high92 Ų9243.5 Ų43.595%0.94828%0.276SS*.THydrogen-bonded Turntrans82.75.2-175.800000115.1R21R21-G23 PolarHBondContact O-N 2.88Å; R21-G23 VanDerWaalsContact O-N 3.13Å
24G87.7Confident93.9Very high37 Ų3745.2 Ų45.238%0.38128%0.283SS..EExtended strand (participates in β ladder)trans-137.2-168.7176.600000113A20 R21 G22A20-G24 CarbonylContact C-O 3.53Å; A20-G24 VanDerWaalsContact CA-O 3.28Å; A20-G24 WeakPolarHBondContact CA-O 3.49Å; R21-G24 PolarHBondContact N-O 2.73Å; R21-G24 CarbonylContact O-C 3.55Å; R21-G24 PolarHBondContact O-N 2.67Å; R21-G24 VanDerWaalsContact O-O 3.06Å; G22-G24 VanDerWaalsContact C-N 3.35Å
25V92.9Very high93.9Very high15 Ų1547.7 Ų47.79%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-122.1135.8173.6171.30000109.1V19 A20 R376 A379 F380V19-V25 WeakPolarHBondContact O-CA 3.42Å; A20-V25 HydrophobicContact CB-CG2 3.97Å; V25-R376 HydrophobicContact CG1-CB 4.12Å; V25-R376 HydrophobicContact CG1-CG 4.08Å; V25-R376 PolarHBondContact O-NH1 3.24Å; V25-A379 HydrophobicContact CG1-CB 3.65Å; V25-A379 HydrophobicContact CG2-CB 4.22Å; V25-F380 HydrophobicContact CB-CE1 4.21Å; V25-F380 HydrophobicContact CB-CE2 4.24Å; V25-F380 HydrophobicContact CB-CZ 3.96Å; V25-F380 HydrophobicContact CG2-CD1 3.68Å; V25-F380 HydrophobicContact CG2-CD2 4.32Å; V25-F380 HydrophobicContact CG2-CE1 3.49Å; V25-F380 VanDerWaalsContact CG2-CE1 3.49Å; V25-F380 HydrophobicContact CG2-CE2 4.18Å; V25-F380 HydrophobicContact CG2-CG 4.09Å; V25-F380 HydrophobicContact CG2-CZ 3.76Å
26E94.2Very high93.9Very high54 Ų5448.9 Ų48.925%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-131157.917450.7162.6-108.800110.2G18 V19 R21 I28G18-E26 CarbonylContact C-O 3.38Å; G18-E26 VanDerWaalsContact CA-O 3.32Å; G18-E26 WeakPolarHBondContact CA-O 3.38Å; V19-E26 PolarHBondContact N-O 2.98Å; V19-E26 PolarHBondContact O-N 3.29Å; R21-E26 HydrophobicContact CG-CG 4.17Å; R21-E26 VanDerWaalsContact CZ-CD 3.48Å; R21-E26 IonicContact CZ-OE1 3.69Å; R21-E26 IonicContact CZ-OE2 2.66Å; R21-E26 VanDerWaalsContact CZ-OE2 3.27Å; R21-E26 IonicContact NE-OE1 2.72Å; R21-E26 PolarHBondContact NE-OE1 2.89Å; R21-E26 IonicContact NE-OE2 3.21Å; R21-E26 PolarHBondContact NE-OE2 2.82Å; R21-E26 IonicContact NH2-OE1 3.08Å; R21-E26 PolarHBondContact NH2-OE1 2.83Å; R21-E26 IonicContact NH2-OE2 3.48Å; R21-E26 PolarHBondContact NH2-OE2 3.38Å; E26-I28 VanDerWaalsContact OE1-CG2 3.31Å; E26-I28 WeakPolarHBondContact OE1-CG2 3.26Å
27V97.3Very high93.9Very high2 Ų247.9 Ų47.91%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-97.4135163.2170.80000108.2Y16 I17 R35 E372 A375 R376Y16-V27 HydrophobicContact CD1-CG1 4.32Å; I17-V27 CarbonylContact O-C 3.58Å; I17-V27 WeakPolarHBondContact O-CA 3.49Å; I17-V27 WeakPolarHBondContact O-CG1 3.13Å; V27-R35 HydrophobicContact CG1-CB 4.45Å; V27-R35 PolarHBondContact O-NH1 3.11Å; V27-R35 PolarHBondContact O-NH2 2.84Å; V27-R35 VanDerWaalsContact O-NH2 3.11Å; V27-E372 HydrophobicContact CB-CG 4.19Å; V27-E372 HydrophobicContact CG1-CG 4.43Å; V27-E372 HydrophobicContact CG2-CB 3.91Å; V27-E372 HydrophobicContact CG2-CG 3.97Å; V27-A375 HydrophobicContact CG2-CB 3.97Å; V27-R376 HydrophobicContact CG2-CG 3.97Å
28I97.6Very high93.9Very high6 Ų648.7 Ų48.73%0.03130%0.299CS..PPolyproline II helixtrans-93.7166.2-178.861.4168.8000112I17 V19 E26 I130 T131 T134I17-I28 HydrophobicContact CB-CD1 4.1Å; I17-I28 HydrophobicContact CB-CG1 3.67Å; I17-I28 HydrophobicContact CD1-CD1 4.17Å; I17-I28 HydrophobicContact CD1-CG1 4.29Å; I17-I28 HydrophobicContact CG2-CD1 3.7Å; I17-I28 HydrophobicContact CG2-CG1 3.7Å; I17-I28 PolarHBondContact O-N 3.32Å; V19-I28 HydrophobicContact CB-CG2 4.46Å; V19-I28 HydrophobicContact CG2-CD1 4.18Å; V19-I28 HydrophobicContact CG2-CG1 4.39Å; V19-I28 HydrophobicContact CG2-CG2 3.96Å; E26-I28 VanDerWaalsContact OE1-CG2 3.31Å; E26-I28 WeakPolarHBondContact OE1-CG2 3.26Å; I28-I130 HydrophobicContact CD1-CG2 4.07Å; I28-T131 HydrophobicContact CD1-CG2 4.04Å; I28-T134 HydrophobicContact CB-CG2 4.11Å; I28-T134 HydrophobicContact CD1-CG2 4.31Å; I28-T134 HydrophobicContact CG2-CG2 3.82Å
29T98.3Very high93.9Very high54 Ų5448.8 Ų48.833%0.33130%0.299SS..PPolyproline II helixtrans-97.3154.7176.9510000112.2S33 E34 R35 I130T29-S33 WeakPolarHBondContact CG2-O 3.28Å; T29-E34 CarbonylContact C-O 3.5Å; T29-E34 VanDerWaalsContact CA-O 3.25Å; T29-E34 WeakPolarHBondContact CA-O 3.47Å; T29-R35 HydrophobicContact CG2-CG 3.83Å; T29-I130 VanDerWaalsContact O-CG2 3.27Å; T29-I130 WeakPolarHBondContact O-CG2 3.37Å
30N97.5Very high94Very high10 Ų1048.8 Ų48.85%0.05330%0.3CS..  trans-78.4-177.3167.669.612.3000112Y32 S33 E34 A36 T52 I130N30-Y32 PolarHBondContact O-N 3.33Å; N30-Y32 WeakPolarHBondContact OD1-CA 3.49Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.39Å; N30-Y32 PolarHBondContact OD1-N 2.98Å; N30-S33 PolarHBondContact O-N 3.44Å; N30-S33 PolarHBondContact OD1-N 3.13Å; N30-E34 PolarHBondContact N-O 2.83Å; N30-E34 PolarHBondContact ND2-OE2 2.88Å; N30-E34 PolarHBondContact OD1-N 3.04Å; N30-E34 PolarHBondContact OD1-O 2.79Å; N30-A36 PolarHBondContact ND2-O 2.87Å; N30-T52 PolarHBondContact ND2-OG1 2.79Å; N30-I130 HydrophobicContact CB-CD1 3.8Å; N30-I130 HydrophobicContact CB-CG1 4.43Å
31E95.1Very high94.5Very high100 Ų10048.3 Ų48.347%0.46730%0.296SS..THydrogen-bonded Turntrans-65.3-12.2177.768.6-88.8-150.300114.9K126E31-K126 WeakPolarHBondContact OE1-CE 3.23Å; E31-K126 IonicContact OE1-NZ 3.69Å; E31-K126 PolarHBondContact OE1-NZ 2.66Å; E31-K126 WeakPolarHBondContact OE2-CE 3.4Å; E31-K126 IonicContact OE2-NZ 2.64Å; E31-K126 PolarHBondContact OE2-NZ 2.75Å; E31-K126 VanDerWaalsContact OE2-NZ 3.08Å
32Y96.2Very high95.1Very high104 Ų10442.8 Ų42.841%0.40828%0.275SS..THydrogen-bonded Turntrans-95.310.6173.5-65.2-91.6000112.3N30 E34 T52 L56N30-Y32 PolarHBondContact O-N 3.33Å; N30-Y32 WeakPolarHBondContact OD1-CA 3.49Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.39Å; N30-Y32 PolarHBondContact OD1-N 2.98Å; Y32-E34 PolarHBondContact O-N 2.81Å; Y32-T52 HydrophobicContact CD1-CG2 4.08Å; Y32-T52 HydrophobicContact CD2-CG2 3.93Å; Y32-T52 HydrophobicContact CE1-CG2 4.28Å; Y32-T52 HydrophobicContact CE2-CG2 4.14Å; Y32-T52 HydrophobicContact CG-CG2 3.9Å; Y32-L56 HydrophobicContact CE1-CD1 4.49Å
33S97.6Very high95.8Very high100 Ų10038.4 Ų38.470%0.69923%0.229SC*.SBendtrans61.815.6-172.4-54.50000114.9T29 N30T29-S33 WeakPolarHBondContact CG2-O 3.28Å; N30-S33 PolarHBondContact O-N 3.44Å; N30-S33 PolarHBondContact OD1-N 3.13Å
34E97.9Very high96.3Very high86 Ų8635.9 Ų35.940%0.40220%0.197SC..  trans-91.1138177.5-53.5177.7114.800110.7T29 N30 Y32 A36 T52T29-E34 CarbonylContact C-O 3.5Å; T29-E34 VanDerWaalsContact CA-O 3.25Å; T29-E34 WeakPolarHBondContact CA-O 3.47Å; N30-E34 PolarHBondContact N-O 2.83Å; N30-E34 PolarHBondContact ND2-OE2 2.88Å; N30-E34 PolarHBondContact OD1-N 3.04Å; N30-E34 PolarHBondContact OD1-O 2.79Å; Y32-E34 PolarHBondContact O-N 2.81Å; E34-A36 VanDerWaalsContact C-N 3.31Å; E34-T52 WeakPolarHBondContact OE2-CG2 3.42Å; E34-T52 PolarHBondContact OE2-OG1 2.83Å
35R97.9Very high96.2Very high92 Ų9236.5 Ų36.535%0.34720%0.204SC..SBendtrans-73.8-25.7175.5-59.9173.87369.1-4.5112.4Y16 V27 T29 E372Y16-R35 WeakPolarHBondContact CD1-O 3.5Å; V27-R35 HydrophobicContact CG1-CB 4.45Å; V27-R35 PolarHBondContact O-NH1 3.11Å; V27-R35 PolarHBondContact O-NH2 2.84Å; V27-R35 VanDerWaalsContact O-NH2 3.11Å; T29-R35 HydrophobicContact CG2-CG 3.83Å; R35-E372 IonicContact CZ-OE1 2.76Å; R35-E372 VanDerWaalsContact CZ-OE1 3.31Å; R35-E372 IonicContact CZ-OE2 2.85Å; R35-E372 IonicContact NE-OE1 3.51Å; R35-E372 PolarHBondContact NE-OE1 2.9Å; R35-E372 IonicContact NH2-OE1 2.86Å; R35-E372 PolarHBondContact NH2-OE1 2.85Å; R35-E372 IonicContact NH2-OE2 2.78Å; R35-E372 PolarHBondContact NH2-OE2 2.78Å
36A97.9Very high95.6Very high25 Ų2539.2 Ų39.221%0.20722%0.218CC..PPolyproline II helixtrans-96.3126.517600000109.9T14 Y16 N30 E34T14-A36 HydrophobicContact CG2-CB 4.16Å; Y16-A36 HydrophobicContact CD1-CB 4.28Å; Y16-A36 HydrophobicContact CE1-CB 3.47Å; Y16-A36 VanDerWaalsContact CE1-CB 3.47Å; N30-A36 PolarHBondContact ND2-O 2.87Å; E34-A36 VanDerWaalsContact C-N 3.31Å
37T98.6Very high95.4Very high4 Ų439.1 Ų39.13%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-102.4120.7168.3-600000108.7T14 S15 T39 L127 I130T14-T37 CarbonylContact C-O 3.59Å; T14-T37 WeakPolarHBondContact CA-O 3.48Å; S15-T37 PolarHBondContact N-O 3.05Å; S15-T37 PolarHBondContact O-N 3.2Å; T37-T39 PolarHBondContact O-N 3.42Å; T37-L127 HydrophobicContact CG2-CD2 4.14Å; T37-I130 HydrophobicContact CG2-CD1 4.32Å
38P98.5Very high95.3Very high20 Ų2039.7 Ų39.713%0.1322%0.222CC..EExtended strand (participates in β ladder)trans-52.5138.9176.9-29.636000113.2C40 G51 T52 K55 Q123P38-C40 HydrophobicContact CB-CB 4.06Å; P38-C40 PolarHBondContact O-N 2.97Å; P38-G51 WeakPolarHBondContact O-CA 3.34Å; P38-T52 VanDerWaalsContact CD-OG1 3.28Å; P38-T52 WeakPolarHBondContact CD-OG1 3.44Å; P38-K55 HydrophobicContact CB-CB 4.07Å; P38-K55 HydrophobicContact CB-CG 4.48Å; P38-K55 HydrophobicContact CG-CB 4.07Å; P38-K55 HydrophobicContact CG-CG 4.37Å; P38-Q123 PolarHBondContact O-NE2 3.37Å; P38-Q123 PolarHBondContact O-OE1 3.26Å
39T98.3Very high95.2Very high2 Ų241.4 Ų41.41%0.01223%0.231CC..SBendtrans-84.175.2173.7-53.10000108.3I10 G11 L13 T14 S15 T37 F69 T70 Q123I10-T39 HydrophobicContact CG2-CG2 4.15Å; G11-T39 VanDerWaalsContact O-CB 3.22Å; G11-T39 WeakPolarHBondContact O-CB 3.42Å; G11-T39 WeakPolarHBondContact O-CG2 3.43Å; G11-T39 PolarHBondContact O-OG1 2.57Å; L13-T39 PolarHBondContact O-N 2.86Å; T14-T39 WeakPolarHBondContact CA-OG1 3.31Å; T14-T39 PolarHBondContact N-OG1 3.34Å; T14-T39 PolarHBondContact O-OG1 3.08Å; S15-T39 PolarHBondContact N-OG1 3.46Å; S15-T39 PolarHBondContact OG-OG1 3.42Å; T37-T39 PolarHBondContact O-N 3.42Å; T39-F69 HydrophobicContact CG2-CE1 4.15Å; T39-F69 HydrophobicContact CG2-CE2 3.92Å; T39-F69 HydrophobicContact CG2-CZ 3.51Å; T39-T70 HydrophobicContact CG2-CG2 4.21Å; T39-Q123 HydrophobicContact CG2-CG 4.49Å
40C98Very high95.2Very high2 Ų239.5 Ų39.51%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-149.9126.1-165-168.60000109.2P38 V50 G51 A54 T65 T67 Q123P38-C40 HydrophobicContact CB-CB 4.06Å; P38-C40 PolarHBondContact O-N 2.97Å; C40-V50 CarbonylContact O-C 3.5Å; C40-V50 WeakPolarHBondContact O-CA 3.43Å; C40-G51 PolarHBondContact O-N 3.3Å; C40-A54 HydrophobicContact CB-CB 4.15Å; C40-A54 WeakPolarHBondContact O-CB 3.39Å; C40-T65 VanDerWaalsContact SG-CG2 3.51Å; C40-T67 HydrophobicContact CB-CG2 4.42Å; C40-Q123 PolarHBondContact O-OE1 3.08Å
41V97.8Very high95.2Very high0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-126.1133.1177.6175.10000107.9F43 V48 L49 V50 T65 F66 F69 I119 I122 Q123V41-F43 HydrophobicContact CG1-CE2 4.06Å; V41-V48 HydrophobicContact CG1-CG1 3.94Å; V41-L49 CarbonylContact C-O 3.56Å; V41-L49 WeakPolarHBondContact CA-O 3.29Å; V41-V50 HydrophobicContact CG2-CG1 4.2Å; V41-V50 HydrophobicContact CG2-CG2 4.42Å; V41-T65 CarbonylContact O-C 3.56Å; V41-F66 PolarHBondContact N-O 3.31Å; V41-F66 PolarHBondContact O-N 3.44Å; V41-F69 HydrophobicContact CG2-CE1 4.12Å; V41-F69 HydrophobicContact CG2-CZ 4.12Å; V41-I119 HydrophobicContact CB-CG2 3.8Å; V41-I119 HydrophobicContact CG1-CG2 4.23Å; V41-I119 HydrophobicContact CG2-CG2 3.81Å; V41-I122 HydrophobicContact CG1-CB 4.48Å; V41-I122 HydrophobicContact CG1-CG2 3.75Å; V41-I122 HydrophobicContact CG2-CB 4.5Å; V41-I122 HydrophobicContact CG2-CG2 4Å; V41-Q123 HydrophobicContact CG2-CB 4.32Å
42A96.7Very high95.4Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-137.5129.5-179.400000112.4L49 A54 N64 T65A42-L49 PolarHBondContact N-O 3.28Å; A42-L49 PolarHBondContact O-N 2.88Å; A42-A54 HydrophobicContact CB-CB 3.78Å; A42-N64 VanDerWaalsContact CA-O 3.28Å; A42-N64 WeakPolarHBondContact CA-O 3.29Å; A42-T65 HydrophobicContact CB-CG2 3.91Å; A42-T65 WeakPolarHBondContact CB-OG1 2.98Å
43F94.9Very high95.4Very high1 Ų131 Ų310%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-89.9117.3174.7-66.8-100.6000109V41 V48 N61 N64 F66 A105 L107 F114 I119 I122 L613V41-F43 HydrophobicContact CG1-CE2 4.06Å; F43-V48 HydrophobicContact CD1-CG2 3.9Å; F43-V48 HydrophobicContact CE1-CG1 4.36Å; F43-V48 HydrophobicContact CE1-CG2 3.73Å; F43-V48 HydrophobicContact CZ-CG1 4.41Å; F43-N61 PolarHBondContact O-ND2 3Å; F43-N64 HydrophobicContact CB-CB 4.28Å; F43-N64 PolarHBondContact N-O 3.24Å; F43-N64 VanDerWaalsContact O-CB 3.27Å; F43-N64 WeakPolarHBondContact O-CB 3.06Å; F43-F66 HydrophobicContact CD2-CD2 4Å; F43-F66 AromaticContact CD2-CE2 3.52Å; F43-F66 HydrophobicContact CD2-CE2 3.52Å; F43-F66 AromaticContact CE2-CD2 3.86Å; F43-F66 HydrophobicContact CE2-CD2 3.86Å; F43-F66 AromaticContact CE2-CE2 3.55Å; F43-F66 HydrophobicContact CE2-CE2 3.55Å; F43-A105 HydrophobicContact CB-CB 4.3Å; F43-A105 HydrophobicContact CD1-CB 4.21Å; F43-A105 HydrophobicContact CD2-CB 3.75Å; F43-A105 HydrophobicContact CE1-CB 4.49Å; F43-A105 HydrophobicContact CE2-CB 4.08Å; F43-A105 HydrophobicContact CG-CB 3.82Å; F43-A105 HydrophobicContact CZ-CB 4.42Å; F43-L107 HydrophobicContact CD1-CD1 4.12Å; F43-L107 HydrophobicContact CD1-CD2 3.76Å; F43-L107 HydrophobicContact CD1-CG 3.86Å; F43-L107 HydrophobicContact CE1-CD1 4.05Å; F43-L107 HydrophobicContact CE1-CD2 4.32Å; F43-L107 HydrophobicContact CE1-CG 4.31Å; F43-F114 AromaticContact CE1-CE2 3.91Å; F43-F114 HydrophobicContact CE1-CE2 3.91Å; F43-F114 AromaticContact CE1-CZ 3.86Å; F43-F114 HydrophobicContact CE1-CZ 3.86Å; F43-F114 HydrophobicContact CZ-CD2 4.17Å; F43-F114 HydrophobicContact CZ-CE1 4.28Å; F43-F114 AromaticContact CZ-CE2 3.83Å; F43-F114 HydrophobicContact CZ-CE2 3.83Å; F43-F114 AromaticContact CZ-CZ 3.9Å; F43-F114 HydrophobicContact CZ-CZ 3.9Å; F43-I119 HydrophobicContact CE2-CD1 3.9Å; F43-I119 HydrophobicContact CZ-CD1 4.2Å; F43-I122 HydrophobicContact CZ-CD1 3.88Å; F43-L613 HydrophobicContact CE1-CD1 4.24Å; F43-L613 HydrophobicContact CE1-CD2 4.43Å
44S91.6Very high95.3Very high39 Ų3926.2 Ų26.227%0.27315%0.154SC..EExtended strand (participates in β ladder)trans-124.290.3-175.4-1340000110.3D46 L47 Q57 N61S44-D46 PolarHBondContact O-N 2.7Å; S44-L47 PolarHBondContact N-O 3.02Å; S44-L47 PolarHBondContact O-N 2.98Å; S44-Q57 PolarHBondContact OG-NE2 3.03Å; S44-Q57 PolarHBondContact OG-OE1 2.87Å; S44-N61 PolarHBondContact OG-ND2 3.06Å
45G85Confident95.3Very high50 Ų5025.2 Ų25.252%0.51515%0.149SC..THydrogen-bonded Turntrans65.5-103-175.800000111.7
46D81Confident95.2Very high72 Ų7227.2 Ų27.239%0.38517%0.165SC..THydrogen-bonded Turntrans-104.1-1177.5-87.5-48.8000113.9S44 K108 Q616S44-D46 PolarHBondContact O-N 2.7Å; D46-K108 WeakPolarHBondContact OD1-CE 3.43Å; D46-K108 WeakPolarHBondContact OD1-CG 3.41Å; D46-Q616 PolarHBondContact O-NE2 3.31Å; D46-Q616 PolarHBondContact OD1-NE2 3.18Å
47L90Very high95.1Very high52 Ų5227.8 Ų27.827%0.27216%0.164SC..EExtended strand (participates in β ladder)trans-107.1142.6-179.9-72.9173.6000112.8S44 L49 D617 E620S44-L47 PolarHBondContact N-O 3.02Å; S44-L47 PolarHBondContact O-N 2.98Å; L47-L49 HydrophobicContact CB-CD2 4.12Å; L47-L49 HydrophobicContact CD1-CD2 4.46Å; L47-D617 WeakPolarHBondContact CA-OD1 3.29Å; L47-D617 HydrophobicContact CD2-CB 4.43Å; L47-E620 HydrophobicContact CD1-CG 4.13Å; L47-E620 HydrophobicContact CD2-CB 3.72Å; L47-E620 HydrophobicContact CD2-CG 3.63Å; L47-E620 HydrophobicContact CG-CB 4.44Å; L47-E620 HydrophobicContact CG-CG 3.84Å
48V94.9Very high94.9Very high15 Ų1528 Ų289%0.09116%0.164CC..EExtended strand (participates in β ladder)trans-97.3106163.3-168.20000108.9V41 F43 V50 I122 L613 D617V41-V48 HydrophobicContact CG1-CG1 3.94Å; F43-V48 HydrophobicContact CD1-CG2 3.9Å; F43-V48 HydrophobicContact CE1-CG1 4.36Å; F43-V48 HydrophobicContact CE1-CG2 3.73Å; F43-V48 HydrophobicContact CZ-CG1 4.41Å; V48-V50 HydrophobicContact CG1-CG2 4.26Å; V48-I122 HydrophobicContact CG1-CD1 4.43Å; V48-I122 HydrophobicContact CG1-CG2 3.72Å; V48-L613 HydrophobicContact CG2-CB 4.24Å; V48-L613 HydrophobicContact CG2-CD1 4.34Å; V48-L613 HydrophobicContact CG2-CD2 3.94Å; V48-L613 HydrophobicContact CG2-CG 4.39Å; V48-D617 WeakPolarHBondContact CB-OD2 3.29Å; V48-D617 PolarHBondContact N-OD1 2.99Å
49L95.8Very high94.7Very high41 Ų4128.2 Ų28.222%0.21517%0.165CC..EExtended strand (participates in β ladder)trans-86143.2171.7-52.9-168.7000109.5V41 A42 L47 A53 A54 Q57V41-L49 CarbonylContact C-O 3.56Å; V41-L49 WeakPolarHBondContact CA-O 3.29Å; A42-L49 PolarHBondContact N-O 3.28Å; A42-L49 PolarHBondContact O-N 2.88Å; L47-L49 HydrophobicContact CB-CD2 4.12Å; L47-L49 HydrophobicContact CD1-CD2 4.46Å; L49-A53 HydrophobicContact CB-CB 4.19Å; L49-A53 HydrophobicContact CD1-CB 4.38Å; L49-A54 HydrophobicContact CB-CB 4.18Å; L49-Q57 HydrophobicContact CD1-CG 4.29Å
50V97.8Very high94.5Very high14 Ų1435.5 Ų35.59%0.08520%0.201CC..EExtended strand (participates in β ladder)trans-137.1151.5179.8-172.20000109.2C40 V41 V48 I122 K126C40-V50 CarbonylContact O-C 3.5Å; C40-V50 WeakPolarHBondContact O-CA 3.43Å; V41-V50 HydrophobicContact CG2-CG1 4.2Å; V41-V50 HydrophobicContact CG2-CG2 4.42Å; V48-V50 HydrophobicContact CG1-CG2 4.26Å; V50-I122 HydrophobicContact CG2-CG2 3.57Å; V50-K126 HydrophobicContact CB-CB 3.87Å; V50-K126 HydrophobicContact CB-CG 3.87Å; V50-K126 HydrophobicContact CG1-CB 3.5Å; V50-K126 VanDerWaalsContact CG1-CB 3.5Å; V50-K126 HydrophobicContact CG1-CG 3.74Å; V50-K126 HydrophobicContact CG2-CB 4.35Å
51G98.1Very high94.3Very high1 Ų136.7 Ų36.71%0.0121%0.207CC..THydrogen-bonded Turntrans69.6-134.3175.500000113.2P38 C40 A53 A54 K55P38-G51 WeakPolarHBondContact O-CA 3.34Å; C40-G51 PolarHBondContact O-N 3.3Å; G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.19Å; G51-A54 PolarHBondContact O-N 3.13Å; G51-K55 PolarHBondContact O-N 3.01Å
52T97.9Very high94.1Very high15 Ų1537.1 Ų37.19%0.09221%0.21CC..Hα-helixtrans-63.1-39.6-175-55.50000111.3N30 Y32 E34 P38 A54 K55 L56N30-T52 PolarHBondContact ND2-OG1 2.79Å; Y32-T52 HydrophobicContact CD1-CG2 4.08Å; Y32-T52 HydrophobicContact CD2-CG2 3.93Å; Y32-T52 HydrophobicContact CE1-CG2 4.28Å; Y32-T52 HydrophobicContact CE2-CG2 4.14Å; Y32-T52 HydrophobicContact CG-CG2 3.9Å; E34-T52 WeakPolarHBondContact OE2-CG2 3.42Å; E34-T52 PolarHBondContact OE2-OG1 2.83Å; P38-T52 VanDerWaalsContact CD-OG1 3.28Å; P38-T52 WeakPolarHBondContact CD-OG1 3.44Å; T52-A54 PolarHBondContact O-N 3.31Å; T52-K55 PolarHBondContact O-N 2.87Å; T52-K55 VanDerWaalsContact O-N 3.17Å; T52-L56 HydrophobicContact CG2-CD1 4.25Å; T52-L56 HydrophobicContact CG2-CG 4.42Å; T52-L56 VanDerWaalsContact O-CG 3.31Å; T52-L56 WeakPolarHBondContact O-CG 3.45Å; T52-L56 PolarHBondContact O-N 2.9Å
53A96.4Very high93.9Very high20 Ų2040.9 Ų40.917%0.16523%0.227CC..Hα-helixtrans-57.5-45.3173.400000112.9L49 G51L49-A53 HydrophobicContact CB-CB 4.19Å; L49-A53 HydrophobicContact CD1-CB 4.38Å; G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.19Å
54A97.3Very high93.9Very high0 Ų042.4 Ų42.40%024%0.235CC..Hα-helixtrans-66.2-40.3175.900000112.1C40 A42 L49 G51 T52 Q58C40-A54 HydrophobicContact CB-CB 4.15Å; C40-A54 WeakPolarHBondContact O-CB 3.39Å; A42-A54 HydrophobicContact CB-CB 3.78Å; L49-A54 HydrophobicContact CB-CB 4.18Å; G51-A54 PolarHBondContact O-N 3.13Å; T52-A54 PolarHBondContact O-N 3.31Å; A54-Q58 PolarHBondContact O-N 2.87Å
55K96.7Very high94.1Very high65 Ų6540.5 Ų40.528%0.28322%0.222SC..Hα-helixtrans-65.3-40.8-179.2-177.360.7179.4-177.70112.4P38 G51 T52 Q57 Q58P38-K55 HydrophobicContact CB-CB 4.07Å; P38-K55 HydrophobicContact CB-CG 4.48Å; P38-K55 HydrophobicContact CG-CB 4.07Å; P38-K55 HydrophobicContact CG-CG 4.37Å; G51-K55 PolarHBondContact O-N 3.01Å; T52-K55 PolarHBondContact O-N 2.87Å; T52-K55 VanDerWaalsContact O-N 3.17Å; K55-Q57 VanDerWaalsContact C-N 3.33Å; K55-Q57 PolarHBondContact O-N 2.92Å; K55-Q58 VanDerWaalsContact O-CB 3.27Å; K55-Q58 WeakPolarHBondContact O-CB 3.47Å; K55-Q58 PolarHBondContact O-N 2.89Å
56L96.1Very high94.6Very high133 Ų13338.2 Ų38.270%0.69620%0.198SC*.Hα-helixtrans-59.2-40.9179.8-74.1167.9000112.4Y32 T52Y32-L56 HydrophobicContact CE1-CD1 4.49Å; T52-L56 HydrophobicContact CG2-CD1 4.25Å; T52-L56 HydrophobicContact CG2-CG 4.42Å; T52-L56 VanDerWaalsContact O-CG 3.31Å; T52-L56 WeakPolarHBondContact O-CG 3.45Å; T52-L56 PolarHBondContact O-N 2.9Å
57Q94.8Very high95.3Very high38 Ų3835.8 Ų35.818%0.17819%0.186CC..THydrogen-bonded Turntrans-86.90.8179.169.8167.711.300115.1S44 L49 K55 V59 M60 N61S44-Q57 PolarHBondContact OG-NE2 3.03Å; S44-Q57 PolarHBondContact OG-OE1 2.87Å; L49-Q57 HydrophobicContact CD1-CG 4.29Å; K55-Q57 VanDerWaalsContact C-N 3.33Å; K55-Q57 PolarHBondContact O-N 2.92Å; Q57-V59 VanDerWaalsContact C-N 3.29Å; Q57-V59 PolarHBondContact O-N 3Å; Q57-V59 VanDerWaalsContact O-N 3.11Å; Q57-M60 PolarHBondContact O-N 2.79Å; Q57-N61 HydrophobicContact CG-CB 4.32Å; Q57-N61 PolarHBondContact NE2-ND2 2.78Å; Q57-N61 VanDerWaalsContact NE2-ND2 3.18Å; Q57-N61 PolarHBondContact O-N 3.49Å
58Q95.6Very high95.5Very high7 Ų733.4 Ų33.43%0.03317%0.174CC..THydrogen-bonded Turntrans-54.5-38.7-167.9-170.2-171.17.400113.7A54 K55 I62 T65 L266A54-Q58 PolarHBondContact O-N 2.87Å; K55-Q58 VanDerWaalsContact O-CB 3.27Å; K55-Q58 WeakPolarHBondContact O-CB 3.47Å; K55-Q58 PolarHBondContact O-N 2.89Å; Q58-I62 WeakPolarHBondContact O-CA 3.14Å; Q58-I62 WeakPolarHBondContact O-CB 3.29Å; Q58-I62 PolarHBondContact O-N 3.44Å; Q58-T65 HydrophobicContact CB-CG2 4.16Å; Q58-T65 HydrophobicContact CG-CG2 3.73Å; Q58-L266 HydrophobicContact CB-CD2 4.34Å; Q58-L266 HydrophobicContact CG-CD2 3.68Å
59V94Very high95.5Very high25 Ų2532.7 Ų32.715%0.15217%0.17CC..THydrogen-bonded Turntrans-72.4-34-180-178.60000112Q57 K263 L266 R267Q57-V59 VanDerWaalsContact C-N 3.29Å; Q57-V59 PolarHBondContact O-N 3Å; Q57-V59 VanDerWaalsContact O-N 3.11Å; V59-K263 HydrophobicContact CG1-CB 4.42Å; V59-K263 WeakPolarHBondContact O-CD 3.38Å; V59-K263 WeakPolarHBondContact O-CE 3.48Å; V59-K263 WeakPolarHBondContact O-CG 3.48Å; V59-L266 HydrophobicContact CB-CD2 4.45Å; V59-L266 HydrophobicContact CG2-CD2 3.82Å; V59-L266 HydrophobicContact CG2-CG 4.1Å; V59-R267 HydrophobicContact CG1-CG 3.98Å
60M93.8Very high95.5Very high156 Ų15631 Ų3177%0.76816%0.161SC*.THydrogen-bonded Turntrans-76.4-49-179.9-68.3-96.5-8400110.6Q57 K263Q57-M60 PolarHBondContact O-N 2.79Å; M60-K263 PolarHBondContact O-NZ 2.89Å
61N94.3Very high95.4Very high26 Ų2630.6 Ų30.614%0.13916%0.158CC..SBendtrans-103.642.2-173.8-167.214.7000113.2F43 S44 Q57 Q63 N64 T65F43-N61 PolarHBondContact O-ND2 3Å; S44-N61 PolarHBondContact OG-ND2 3.06Å; Q57-N61 HydrophobicContact CG-CB 4.32Å; Q57-N61 PolarHBondContact NE2-ND2 2.78Å; Q57-N61 VanDerWaalsContact NE2-ND2 3.18Å; Q57-N61 PolarHBondContact O-N 3.49Å; N61-Q63 VanDerWaalsContact C-N 3.29Å; N61-Q63 PolarHBondContact O-N 2.86Å; N61-Q63 VanDerWaalsContact O-N 3.16Å; N61-N64 PolarHBondContact O-N 3.4Å; N61-N64 WeakPolarHBondContact OD1-CB 3.19Å; N61-N64 PolarHBondContact OD1-ND2 2.91Å; N61-T65 WeakPolarHBondContact O-CB 3.47Å; N61-T65 PolarHBondContact O-N 3.38Å; N61-T65 PolarHBondContact O-OG1 2.84Å
62I93.5Very high95.3Very high10 Ų1030.6 Ų30.65%0.05116%0.158CC..THydrogen-bonded Turntrans-62.5-26.4-165.2-163.4168.2000115.6Q58 T90 S262 K263 L266Q58-I62 WeakPolarHBondContact O-CA 3.14Å; Q58-I62 WeakPolarHBondContact O-CB 3.29Å; Q58-I62 PolarHBondContact O-N 3.44Å; I62-T90 HydrophobicContact CD1-CG2 3.98Å; I62-T90 HydrophobicContact CG1-CG2 4.24Å; I62-T90 WeakPolarHBondContact CG1-OG1 3.34Å; I62-S262 WeakPolarHBondContact CD1-O 3.37Å; I62-K263 HydrophobicContact CD1-CG 4.47Å; I62-K263 HydrophobicContact CG2-CG 4.32Å; I62-L266 HydrophobicContact CD1-CB 4.08Å; I62-L266 HydrophobicContact CD1-CD2 3.85Å; I62-L266 HydrophobicContact CG1-CD2 4.21Å
63Q91.6Very high95.2Very high78 Ų7829.9 Ų29.936%0.36415%0.153SC..THydrogen-bonded Turntrans-84.2-27.8-179.5-67.1-56.4-51.500113.3N61 T90N61-Q63 VanDerWaalsContact C-N 3.29Å; N61-Q63 PolarHBondContact O-N 2.86Å; N61-Q63 VanDerWaalsContact O-N 3.16Å; Q63-T90 PolarHBondContact NE2-O 2.94Å
64N94.8Very high95.1Very high33 Ų3329.3 Ų29.318%0.17615%0.149CC..SBendtrans-10210.5177.6-50.2-73.5000112.7A42 F43 N61 S106A42-N64 VanDerWaalsContact CA-O 3.28Å; A42-N64 WeakPolarHBondContact CA-O 3.29Å; F43-N64 HydrophobicContact CB-CB 4.28Å; F43-N64 PolarHBondContact N-O 3.24Å; F43-N64 VanDerWaalsContact O-CB 3.27Å; F43-N64 WeakPolarHBondContact O-CB 3.06Å; N61-N64 PolarHBondContact O-N 3.4Å; N61-N64 WeakPolarHBondContact OD1-CB 3.19Å; N61-N64 PolarHBondContact OD1-ND2 2.91Å; N64-S106 WeakPolarHBondContact OD1-CB 3.48Å; N64-S106 PolarHBondContact OD1-N 3.4Å
65T96.2Very high94.9Very high0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans-106.5111.2177.3-54.30000110.5C40 V41 A42 Q58 N61 H91C40-T65 VanDerWaalsContact SG-CG2 3.51Å; V41-T65 CarbonylContact O-C 3.56Å; A42-T65 HydrophobicContact CB-CG2 3.91Å; A42-T65 WeakPolarHBondContact CB-OG1 2.98Å; Q58-T65 HydrophobicContact CB-CG2 4.16Å; Q58-T65 HydrophobicContact CG-CG2 3.73Å; N61-T65 WeakPolarHBondContact O-CB 3.47Å; N61-T65 PolarHBondContact O-N 3.38Å; N61-T65 PolarHBondContact O-OG1 2.84Å; T65-H91 PolarHBondContact O-ND1 2.98Å; T65-H91 VanDerWaalsContact O-ND1 3.07Å
66F96.4Very high94.7Very high1 Ų127.7 Ų27.70%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-96.8126.7-177.1-51.8-50.2000110.9V41 F43 F69 H91 F103 A105 I119V41-F66 PolarHBondContact N-O 3.31Å; V41-F66 PolarHBondContact O-N 3.44Å; F43-F66 HydrophobicContact CD2-CD2 4Å; F43-F66 AromaticContact CD2-CE2 3.52Å; F43-F66 HydrophobicContact CD2-CE2 3.52Å; F43-F66 AromaticContact CE2-CD2 3.86Å; F43-F66 HydrophobicContact CE2-CD2 3.86Å; F43-F66 AromaticContact CE2-CE2 3.55Å; F43-F66 HydrophobicContact CE2-CE2 3.55Å; F66-F69 HydrophobicContact CB-CD1 4.32Å; F66-H91 HydrophobicContact CD1-CB 4.05Å; F66-H91 AromaticContact CD1-CD2 3.59Å; F66-H91 AromaticContact CD1-CG 3.69Å; F66-H91 HydrophobicContact CE1-CB 4.14Å; F66-F103 HydrophobicContact CD1-CB 4.02Å; F66-F103 HydrophobicContact CD1-CD1 4.48Å; F66-F103 HydrophobicContact CD1-CG 4.17Å; F66-F103 HydrophobicContact CE1-CB 3.7Å; F66-F103 HydrophobicContact CE1-CG 4.33Å; F66-F103 HydrophobicContact CE2-CB 4.28Å; F66-F103 HydrophobicContact CG-CB 4.49Å; F66-F103 HydrophobicContact CG-CG 4.49Å; F66-F103 HydrophobicContact CZ-CB 3.84Å; F66-A105 HydrophobicContact CE2-CB 3.89Å; F66-A105 HydrophobicContact CZ-CB 3.94Å; F66-I119 HydrophobicContact CB-CG2 4.14Å; F66-I119 HydrophobicContact CD2-CD1 3.91Å; F66-I119 HydrophobicContact CD2-CG1 4.29Å; F66-I119 HydrophobicContact CE2-CD1 4.28Å
67T95.5Very high94.4Very high21 Ų2123.5 Ų23.513%0.12912%0.123CC..EExtended strand (participates in β ladder)trans-135.1162.7178.457.60000108.5C40 F69 H91C40-T67 HydrophobicContact CB-CG2 4.42Å; T67-F69 PolarHBondContact O-N 2.85Å; T67-H91 PolarHBondContact N-CE1 2.77Å; T67-H91 PolarHBondContact O-CE1 3.01Å
68S93.5Very high94.1Very high3 Ų326.4 Ų26.42%0.02115%0.148CC..SBendtrans57.213.2-177.9-53.90000115.1T70 R71 E85S68-T70 PolarHBondContact O-N 2.91Å; S68-T70 VanDerWaalsContact O-N 3.14Å; S68-R71 WeakPolarHBondContact O-CA 3.3Å; S68-R71 WeakPolarHBondContact O-CB 3.2Å; S68-R71 WeakPolarHBondContact O-CG 3.5Å; S68-R71 PolarHBondContact O-N 2.86Å; S68-E85 WeakPolarHBondContact CB-OE1 3.41Å
69F95.6Very high93.9Very high0 Ų027.1 Ų27.10%015%0.152CC..G310 helixtrans-60.2-28.3-178.747.7-95.6000112.8T39 V41 F66 T67 R71 L72 L73 F103 I119 L120 Q123T39-F69 HydrophobicContact CG2-CE1 4.15Å; T39-F69 HydrophobicContact CG2-CE2 3.92Å; T39-F69 HydrophobicContact CG2-CZ 3.51Å; V41-F69 HydrophobicContact CG2-CE1 4.12Å; V41-F69 HydrophobicContact CG2-CZ 4.12Å; F66-F69 HydrophobicContact CB-CD1 4.32Å; T67-F69 PolarHBondContact O-N 2.85Å; F69-R71 PolarHBondContact O-N 2.79Å; F69-R71 VanDerWaalsContact O-N 3.12Å; F69-L72 PolarHBondContact O-N 3.28Å; F69-L73 PolarHBondContact O-N 2.76Å; F69-F103 HydrophobicContact CB-CE2 3.71Å; F69-F103 HydrophobicContact CB-CZ 3.86Å; F69-I119 HydrophobicContact CB-CB 4.38Å; F69-I119 HydrophobicContact CB-CG2 4.15Å; F69-I119 HydrophobicContact CD1-CG2 3.46Å; F69-I119 VanDerWaalsContact CD1-CG2 3.46Å; F69-I119 HydrophobicContact CD2-CB 4.34Å; F69-I119 HydrophobicContact CD2-CG2 3.94Å; F69-I119 HydrophobicContact CE1-CG2 3.73Å; F69-I119 HydrophobicContact CE2-CG2 4.19Å; F69-I119 HydrophobicContact CG-CB 4.16Å; F69-I119 HydrophobicContact CG-CG2 3.57Å; F69-I119 HydrophobicContact CZ-CG2 4.08Å; F69-L120 HydrophobicContact CD2-CB 4.24Å; F69-L120 HydrophobicContact CE2-CB 4.29Å; F69-L120 HydrophobicContact CE2-CD1 4.17Å; F69-Q123 HydrophobicContact CE2-CB 4.12Å; F69-Q123 HydrophobicContact CZ-CB 3.96Å; F69-Q123 HydrophobicContact CZ-CG 4.21Å
70T96.1Very high93.5Very high6 Ų631.3 Ų31.34%0.03717%0.168CC..G310 helixtrans-59.4-19.5170.358.30000113.9I10 T39 S68 L72 L120 Y150I10-T70 HydrophobicContact CG2-CG2 4.07Å; T39-T70 HydrophobicContact CG2-CG2 4.21Å; S68-T70 PolarHBondContact O-N 2.91Å; S68-T70 VanDerWaalsContact O-N 3.14Å; T70-L72 VanDerWaalsContact C-N 3.32Å; T70-L120 HydrophobicContact CG2-CD1 4.13Å; T70-Y150 PolarHBondContact O-OH 2.99Å
71R95.4Very high93.3Very high4 Ų424 Ų242%0.01513%0.132CC..G310 helixtrans-81-14.3176.5-62.1-72.8-57.5174.94.6113.3S68 F69 K75 E85 Y149 T209 A231S68-R71 WeakPolarHBondContact O-CA 3.3Å; S68-R71 WeakPolarHBondContact O-CB 3.2Å; S68-R71 WeakPolarHBondContact O-CG 3.5Å; S68-R71 PolarHBondContact O-N 2.86Å; F69-R71 PolarHBondContact O-N 2.79Å; F69-R71 VanDerWaalsContact O-N 3.12Å; R71-K75 PolarHBondContact O-NZ 3.46Å; R71-E85 VanDerWaalsContact CB-CD 3.44Å; R71-E85 HydrophobicContact CB-CG 3.76Å; R71-E85 HydrophobicContact CG-CG 4.45Å; R71-E85 IonicContact CZ-OE2 2.9Å; R71-E85 IonicContact NE-OE2 3.05Å; R71-E85 PolarHBondContact NE-OE2 2.83Å; R71-E85 IonicContact NH2-OE2 2.79Å; R71-E85 PolarHBondContact NH2-OE2 2.81Å; R71-Y149 PolarHBondContact NH1-OH 2.78Å; R71-T209 PolarHBondContact NH1-OG1 3.02Å; R71-A231 PolarHBondContact NH1-O 2.77Å; R71-A231 PolarHBondContact NH2-O 3.1Å
72L95.5Very high93.1Very high1 Ų122.7 Ų22.71%0.00513%0.125CC..THydrogen-bonded Turntrans-115.5-2.5-169-59.5-175.9000114.1F69 T70 V82 E85 M89 I101 F103 P116F69-L72 PolarHBondContact O-N 3.28Å; T70-L72 VanDerWaalsContact C-N 3.32Å; L72-V82 HydrophobicContact CD2-CB 4.31Å; L72-V82 HydrophobicContact CD2-CG1 4Å; L72-V82 HydrophobicContact CD2-CG2 4Å; L72-E85 HydrophobicContact CD2-CB 4.06Å; L72-E85 HydrophobicContact CD2-CG 3.87Å; L72-E85 HydrophobicContact CG-CG 4.42Å; L72-M89 HydrophobicContact CD1-CE 3.42Å; L72-M89 VanDerWaalsContact CD1-CE 3.42Å; L72-M89 HydrophobicContact CD1-SD 3.81Å; L72-I101 HydrophobicContact CB-CD1 3.93Å; L72-I101 HydrophobicContact CD1-CG2 4.46Å; L72-I101 HydrophobicContact CD2-CD1 4.02Å; L72-I101 HydrophobicContact CG-CD1 4.4Å; L72-F103 HydrophobicContact CB-CZ 4.49Å; L72-F103 HydrophobicContact CD1-CE1 3.69Å; L72-F103 HydrophobicContact CD1-CZ 3.74Å; L72-P116 HydrophobicContact CB-CB 4.34Å; L72-P116 HydrophobicContact CB-CG 3.97Å
73L95.8Very high92.8Very high1 Ų126.2 Ų26.21%0.00515%0.147CC..THydrogen-bonded Turntrans-52.4139.9170-60.8171.3000111F69 K75 P116 E117 L120 Y150 E154 V158F69-L73 PolarHBondContact O-N 2.76Å; L73-K75 VanDerWaalsContact C-N 3.28Å; L73-K75 WeakPolarHBondContact O-CG 3.39Å; L73-K75 PolarHBondContact O-N 3.16Å; L73-P116 HydrophobicContact CD2-CB 4.04Å; L73-E117 HydrophobicContact CD2-CG 4.01Å; L73-L120 HydrophobicContact CD1-CD2 3.69Å; L73-L120 HydrophobicContact CD2-CB 4.24Å; L73-L120 HydrophobicContact CD2-CD2 3.83Å; L73-L120 HydrophobicContact CG-CD2 4.41Å; L73-Y150 HydrophobicContact CD1-CE2 4.2Å; L73-Y150 WeakPolarHBondContact CD1-OH 3.46Å; L73-E154 VanDerWaalsContact O-CG 3.25Å; L73-E154 WeakPolarHBondContact O-CG 3.43Å; L73-V158 HydrophobicContact CD1-CG2 3.69Å
74G93.9Very high92.6Very high7 Ų723.9 Ų23.97%0.07214%0.137CC..THydrogen-bonded Turntrans65.423.6168.200000115.6E117 S157G74-E117 PolarHBondContact N-OE1 3.29Å; G74-S157 WeakPolarHBondContact CA-OG 3.48Å; G74-S157 PolarHBondContact N-OG 2.8Å
75K93.4Very high92.5Very high7 Ų722.3 Ų22.33%0.0313%0.129CC..  trans-129.1155.9-170.6-72.3167.1-174-168.10114R71 L73 D79 S81 V82 I101 E154R71-K75 PolarHBondContact O-NZ 3.46Å; L73-K75 VanDerWaalsContact C-N 3.28Å; L73-K75 WeakPolarHBondContact O-CG 3.39Å; L73-K75 PolarHBondContact O-N 3.16Å; K75-D79 WeakPolarHBondContact CA-OD2 3.29Å; K75-D79 WeakPolarHBondContact CB-OD2 3.47Å; K75-S81 WeakPolarHBondContact CD-OG 3.32Å; K75-S81 WeakPolarHBondContact CE-OG 3.39Å; K75-S81 PolarHBondContact NZ-OG 3.43Å; K75-V82 HydrophobicContact CB-CG2 3.9Å; K75-V82 HydrophobicContact CD-CG2 3.93Å; K75-V82 HydrophobicContact CG-CG2 4.43Å; K75-I101 HydrophobicContact CB-CD1 3.97Å; K75-I101 PolarHBondContact O-N 2.82Å; K75-E154 WeakPolarHBondContact CE-OE1 3.5Å; K75-E154 IonicContact NZ-OE1 3.34Å
76C92.4Very high92.2Very high25 Ų2528.5 Ų28.517%0.16915%0.152CC..BIsolated β-bridgetrans-100153.6173.5-68.30000111.2S78 D79 G99C76-S78 PolarHBondContact O-N 3.1Å; C76-S78 VanDerWaalsContact O-N 3.08Å; C76-D79 PolarHBondContact N-OD2 2.75Å; C76-D79 WeakPolarHBondContact O-CB 3.45Å; C76-D79 VanDerWaalsContact O-CG 3.27Å; C76-D79 PolarHBondContact O-N 3.25Å; C76-G99 CarbonylContact C-O 3.58Å; C76-G99 WeakPolarHBondContact CA-O 3.26Å; C76-G99 WeakPolarHBondContact CB-O 3.32Å
77L90.9Very high91.7Very high45 Ų4535 Ų3524%0.23618%0.18CC..THydrogen-bonded Turntrans-60.5-23.7-179.4-172.465.9000112.9D79 V82 V93 A95 G99L77-D79 VanDerWaalsContact C-N 3.31Å; L77-V82 HydrophobicContact CD1-CG1 4.29Å; L77-V93 HydrophobicContact CD1-CB 4.45Å; L77-V93 HydrophobicContact CD1-CG1 3.92Å; L77-A95 HydrophobicContact CB-CB 3.96Å; L77-A95 HydrophobicContact CD2-CB 3.68Å; L77-A95 HydrophobicContact CG-CB 4.45Å; L77-G99 PolarHBondContact N-O 3.19Å
78S88.7Confident91.4Very high99 Ų9935.7 Ų35.769%0.69218%0.182SC*.THydrogen-bonded Turntrans-71-17.1175.947.60000115C76C76-S78 PolarHBondContact O-N 3.1Å; C76-S78 VanDerWaalsContact O-N 3.08Å
79D89.6Confident91.1Very high22 Ų2236.7 Ų36.712%0.11819%0.186CC..  trans-73.2136.3-166.9-60.5-10.9000111.4K75 C76 L77 S81 V82 V83K75-D79 WeakPolarHBondContact CA-OD2 3.29Å; K75-D79 WeakPolarHBondContact CB-OD2 3.47Å; C76-D79 PolarHBondContact N-OD2 2.75Å; C76-D79 WeakPolarHBondContact O-CB 3.45Å; C76-D79 VanDerWaalsContact O-CG 3.27Å; C76-D79 PolarHBondContact O-N 3.25Å; L77-D79 VanDerWaalsContact C-N 3.31Å; D79-S81 PolarHBondContact O-N 3.03Å; D79-S81 VanDerWaalsContact O-N 3.12Å; D79-V82 HydrophobicContact CB-CG2 3.95Å; D79-V82 WeakPolarHBondContact O-CA 3.37Å; D79-V82 WeakPolarHBondContact O-CB 3.5Å; D79-V82 PolarHBondContact O-N 2.95Å; D79-V83 PolarHBondContact O-N 2.98Å
80F85.8Confident90.6Very high113 Ų11337.9 Ų37.950%0.49619%0.193SC..Hα-helixtrans-53.5-39.5-178.4176-99.8000112.7V82 V83 N84F80-V82 PolarHBondContact O-N 2.97Å; F80-V83 PolarHBondContact O-N 3.28Å; F80-N84 PolarHBondContact O-N 3.06Å; F80-N84 VanDerWaalsContact O-N 3.12Å
81S89.6Confident90.2Very high1 Ų138.1 Ų38.11%0.00719%0.194CC..Hα-helixtrans-61.5-29.4178.275.60000113.5K75 D79 E85 P472K75-S81 WeakPolarHBondContact CD-OG 3.32Å; K75-S81 WeakPolarHBondContact CE-OG 3.39Å; K75-S81 PolarHBondContact NZ-OG 3.43Å; D79-S81 PolarHBondContact O-N 3.03Å; D79-S81 VanDerWaalsContact O-N 3.12Å; S81-E85 VanDerWaalsContact O-CB 3.32Å; S81-E85 WeakPolarHBondContact O-CB 3.48Å; S81-E85 PolarHBondContact O-N 2.84Å; S81-P472 WeakPolarHBondContact CB-O 2.95Å
82V91.7Very high89.7Confident0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-80.4-41.1-179.4179.30000110.2L72 K75 L77 D79 F80 N84 E85 R86 I101L72-V82 HydrophobicContact CD2-CB 4.31Å; L72-V82 HydrophobicContact CD2-CG1 4Å; L72-V82 HydrophobicContact CD2-CG2 4Å; K75-V82 HydrophobicContact CB-CG2 3.9Å; K75-V82 HydrophobicContact CD-CG2 3.93Å; K75-V82 HydrophobicContact CG-CG2 4.43Å; L77-V82 HydrophobicContact CD1-CG1 4.29Å; D79-V82 HydrophobicContact CB-CG2 3.95Å; D79-V82 WeakPolarHBondContact O-CA 3.37Å; D79-V82 WeakPolarHBondContact O-CB 3.5Å; D79-V82 PolarHBondContact O-N 2.95Å; F80-V82 PolarHBondContact O-N 2.97Å; V82-N84 VanDerWaalsContact C-N 3.26Å; V82-N84 PolarHBondContact O-N 3.39Å; V82-E85 PolarHBondContact O-N 2.79Å; V82-E85 VanDerWaalsContact O-N 3.17Å; V82-R86 WeakPolarHBondContact O-CG 3.31Å; V82-R86 PolarHBondContact O-N 3.46Å; V82-I101 HydrophobicContact CB-CD1 4.34Å; V82-I101 HydrophobicContact CG1-CD1 3.74Å; V82-I101 HydrophobicContact CG1-CG1 4.46Å; V82-I101 HydrophobicContact CG2-CD1 3.62Å
83V87Confident89.5Confident84 Ų8443.7 Ų43.751%0.50922%0.221SC..Hα-helixtrans-56.6-42.1172.4179.10000111D79 F80D79-V83 PolarHBondContact O-N 2.98Å; F80-V83 PolarHBondContact O-N 3.28Å
84N87.2Confident89.4Confident29 Ų2947 Ų4716%0.15524%0.237CC..Hα-helixtrans-72.9-37.1176.2-165.452.7000113F80 V82 K87 F232F80-N84 PolarHBondContact O-N 3.06Å; F80-N84 VanDerWaalsContact O-N 3.12Å; V82-N84 VanDerWaalsContact C-N 3.26Å; V82-N84 PolarHBondContact O-N 3.39Å; N84-K87 PolarHBondContact O-N 2.81Å; N84-K87 WeakPolarHBondContact OD1-CE 3.21Å; N84-K87 PolarHBondContact OD1-NZ 2.88Å; N84-F232 HydrophobicContact CB-CD1 4.44Å; N84-F232 HydrophobicContact CB-CE1 4.34Å; N84-F232 WeakPolarHBondContact ND2-CD1 3.45Å
85E92.7Very high89.2Confident0 Ų049.3 Ų49.30%026%0.255CS..Hα-helixtrans-64.5-38.7178.9-166.962.7-142.400112.4S68 R71 L72 S81 V82 K87 F88 M89 R236S68-E85 WeakPolarHBondContact CB-OE1 3.41Å; R71-E85 VanDerWaalsContact CB-CD 3.44Å; R71-E85 HydrophobicContact CB-CG 3.76Å; R71-E85 HydrophobicContact CG-CG 4.45Å; R71-E85 IonicContact CZ-OE2 2.9Å; R71-E85 IonicContact NE-OE2 3.05Å; R71-E85 PolarHBondContact NE-OE2 2.83Å; R71-E85 IonicContact NH2-OE2 2.79Å; R71-E85 PolarHBondContact NH2-OE2 2.81Å; L72-E85 HydrophobicContact CD2-CB 4.06Å; L72-E85 HydrophobicContact CD2-CG 3.87Å; L72-E85 HydrophobicContact CG-CG 4.42Å; S81-E85 VanDerWaalsContact O-CB 3.32Å; S81-E85 WeakPolarHBondContact O-CB 3.48Å; S81-E85 PolarHBondContact O-N 2.84Å; V82-E85 PolarHBondContact O-N 2.79Å; V82-E85 VanDerWaalsContact O-N 3.17Å; E85-K87 PolarHBondContact O-N 2.85Å; E85-F88 PolarHBondContact O-N 2.9Å; E85-M89 HydrophobicContact CG-SD 4.03Å; E85-M89 WeakPolarHBondContact O-CG 3.18Å; E85-R236 VanDerWaalsContact CD-NH1 3.32Å; E85-R236 IonicContact OE1-CZ 3.65Å; E85-R236 IonicContact OE1-NH1 3.2Å; E85-R236 PolarHBondContact OE1-NH1 3.17Å; E85-R236 IonicContact OE1-NH2 3.08Å; E85-R236 IonicContact OE2-CZ 2.79Å; E85-R236 IonicContact OE2-NH1 3.46Å; E85-R236 PolarHBondContact OE2-NH1 3.16Å; E85-R236 IonicContact OE2-NH2 3.27Å; E85-R236 PolarHBondContact OE2-NH2 2.86Å
86R89.4Confident89.1Confident129 Ų12950.5 Ų50.549%0.48727%0.266SS..G310 helixtrans-56.1-21.1-180-78.3176.367.71793114.8V82 F88 M89 V93V82-R86 WeakPolarHBondContact O-CG 3.31Å; V82-R86 PolarHBondContact O-N 3.46Å; R86-F88 PolarHBondContact O-N 2.87Å; R86-M89 HydrophobicContact CG-SD 4.3Å; R86-M89 PolarHBondContact O-N 3.18Å; R86-V93 HydrophobicContact CG-CG2 4.31Å
87K86.3Confident88.7Confident138 Ų13862 Ų6260%0.631%0.306SS*.G310 helixtrans-64.1-29173.8-61.1173.6-176.8168.60112.9N84 E85N84-K87 PolarHBondContact O-N 2.81Å; N84-K87 WeakPolarHBondContact OD1-CE 3.21Å; N84-K87 PolarHBondContact OD1-NZ 2.88Å; E85-K87 PolarHBondContact O-N 2.85Å
88F88.2Confident88.5Confident36 Ų3664 Ų6416%0.15832%0.317CS..G310 helixtrans-100.210.8-175.8-54.7-79.8000112.6E85 R86 R236 E240E85-F88 PolarHBondContact O-N 2.9Å; R86-F88 PolarHBondContact O-N 2.87Å; F88-R236 HydrophobicContact CD1-CG 4.22Å; F88-R236 HydrophobicContact CE1-CG 4.08Å; F88-E240 HydrophobicContact CE1-CB 4.2Å; F88-E240 HydrophobicContact CE1-CG 4.42Å; F88-E240 WeakPolarHBondContact CZ-OE2 3.09Å
89M88.4Confident88.5Confident24 Ų2460.6 Ų60.612%0.11830%0.297CS..  trans-116138-171.5-62.2175.971.900111.4L72 E85 R86 H91 V93 F103L72-M89 HydrophobicContact CD1-CE 3.42Å; L72-M89 VanDerWaalsContact CD1-CE 3.42Å; L72-M89 HydrophobicContact CD1-SD 3.81Å; E85-M89 HydrophobicContact CG-SD 4.03Å; E85-M89 WeakPolarHBondContact O-CG 3.18Å; R86-M89 HydrophobicContact CG-SD 4.3Å; R86-M89 PolarHBondContact O-N 3.18Å; M89-H91 WeakPolarHBondContact CE-NE2 3.46Å; M89-V93 HydrophobicContact CE-CG2 3.34Å; M89-V93 HydrophobicContact SD-CG2 3.98Å; M89-F103 HydrophobicContact CE-CE1 4.01Å
90T84.2Confident88.6Confident25 Ų2560.9 Ų60.915%0.15330%0.296CS..SBendtrans-103.2-14.6-178.260.10000113.9I62 Q63I62-T90 HydrophobicContact CD1-CG2 3.98Å; I62-T90 HydrophobicContact CG1-CG2 4.24Å; I62-T90 WeakPolarHBondContact CG1-OG1 3.34Å; Q63-T90 PolarHBondContact NE2-O 2.94Å
91H87.2Confident89Confident10 Ų1055.6 Ų55.65%0.04627%0.273CS..SBendtrans-102.4160.117852.6-90.5000111T65 F66 T67 M89 F103T65-H91 PolarHBondContact O-ND1 2.98Å; T65-H91 VanDerWaalsContact O-ND1 3.07Å; F66-H91 HydrophobicContact CD1-CB 4.05Å; F66-H91 AromaticContact CD1-CD2 3.59Å; F66-H91 AromaticContact CD1-CG 3.69Å; F66-H91 HydrophobicContact CE1-CB 4.14Å; T67-H91 PolarHBondContact N-CE1 2.77Å; T67-H91 PolarHBondContact O-CE1 3.01Å; M89-H91 WeakPolarHBondContact CE-NE2 3.46Å; H91-F103 AromaticContact CD2-CD1 3.9Å; H91-F103 AromaticContact NE2-CE1 3.83Å
92Q86.8Confident89.2Confident108 Ų10856.1 Ų56.151%0.50528%0.277SS..  trans-77.1148.4-178.6-65.8-175.6-1400112.2
93V91.1Very high89.4Confident15 Ų1556.1 Ų56.19%0.09128%0.277CS..  trans-128.6118.6179.3-169.10000107.2L77 R86 M89 I101 F103L77-V93 HydrophobicContact CD1-CB 4.45Å; L77-V93 HydrophobicContact CD1-CG1 3.92Å; R86-V93 HydrophobicContact CG-CG2 4.31Å; M89-V93 HydrophobicContact CE-CG2 3.34Å; M89-V93 HydrophobicContact SD-CG2 3.98Å; V93-I101 HydrophobicContact CG1-CG1 4.41Å; V93-I101 HydrophobicContact CG1-CG2 3.48Å; V93-I101 VanDerWaalsContact CG1-CG2 3.48Å; V93-F103 HydrophobicContact CG2-CE1 4.33Å
94E92.2Very high89.7Confident71 Ų7153 Ų5333%0.33226%0.258SS..EExtended strand (participates in β ladder)trans-113.9166.6-174.4-65.1175.3179.200110.1T102E94-T102 PolarHBondContact N-O 3.37Å; E94-T102 PolarHBondContact O-N 2.98Å
95A91.4Very high89.9Confident54 Ų5451.7 Ų51.745%0.44625%0.251SS..EExtended strand (participates in β ladder)trans-105.2131173.400000110.6L77 R100L77-A95 HydrophobicContact CB-CB 3.96Å; L77-A95 HydrophobicContact CD2-CB 3.68Å; L77-A95 HydrophobicContact CG-CB 4.45Å; A95-R100 WeakPolarHBondContact CA-O 3.47Å
96A89.4Confident89.8Confident33 Ų3353.9 Ų53.927%0.27327%0.267SS..  trans-69.4170.4162.900000111.2D98 G99 R100 T102A96-D98 WeakPolarHBondContact CB-OD1 3.46Å; A96-D98 PolarHBondContact O-N 2.86Å; A96-G99 PolarHBondContact O-N 3.24Å; A96-R100 HydrophobicContact CB-CB 4.46Å; A96-R100 PolarHBondContact N-O 2.86Å; A96-T102 HydrophobicContact CB-CG2 4.02Å
97R85.1Confident89.6Confident266 Ų26648.8 Ų48.8100%1.00425%0.249SC*.THydrogen-bonded Turntrans-62.8-24.1-178.5-66.1-177-179.5177.90.9114
98D86.5Confident89.3Confident88 Ų8848.6 Ų48.647%0.47125%0.248SC..THydrogen-bonded Turntrans-92.35.4175.966.6-15.8000113A96 R100A96-D98 WeakPolarHBondContact CB-OD1 3.46Å; A96-D98 PolarHBondContact O-N 2.86Å; D98-R100 VanDerWaalsContact C-N 3.31Å; D98-R100 PolarHBondContact O-N 3.34Å; D98-R100 WeakPolarHBondContact OD1-CB 3.37Å; D98-R100 PolarHBondContact OD1-N 3.02Å; D98-R100 WeakPolarHBondContact OD2-CD 3.44Å; D98-R100 WeakPolarHBondContact OD2-CG 3.44Å; D98-R100 IonicContact OD2-CZ 2.66Å; D98-R100 IonicContact OD2-NE 3.32Å; D98-R100 PolarHBondContact OD2-NE 3.2Å
99G89.4Confident89Confident26 Ų2650.3 Ų50.327%0.26828%0.276SS..SBendtrans86.6-10.6-179.800000114.9C76 L77 A96C76-G99 CarbonylContact C-O 3.58Å; C76-G99 WeakPolarHBondContact CA-O 3.26Å; C76-G99 WeakPolarHBondContact CB-O 3.32Å; L77-G99 PolarHBondContact N-O 3.19Å; A96-G99 PolarHBondContact O-N 3.24Å
100R91.6Very high89Confident28 Ų2856 Ų5611%0.10630%0.303CS..BIsolated β-bridgetrans-61.7157176.1-66.9-176.6-162.1-127.1-6.7111.6A95 A96 D98 M596A95-R100 WeakPolarHBondContact CA-O 3.47Å; A96-R100 HydrophobicContact CB-CB 4.46Å; A96-R100 PolarHBondContact N-O 2.86Å; D98-R100 VanDerWaalsContact C-N 3.31Å; D98-R100 PolarHBondContact O-N 3.34Å; D98-R100 WeakPolarHBondContact OD1-CB 3.37Å; D98-R100 PolarHBondContact OD1-N 3.02Å; D98-R100 WeakPolarHBondContact OD2-CD 3.44Å; D98-R100 WeakPolarHBondContact OD2-CG 3.44Å; D98-R100 IonicContact OD2-CZ 2.66Å; D98-R100 IonicContact OD2-NE 3.32Å; D98-R100 PolarHBondContact OD2-NE 3.2Å; R100-M596 PolarHBondContact NH1-O 3.3Å; R100-M596 PolarHBondContact NH2-O 3.28Å; R100-M596 VanDerWaalsContact NH2-O 3.14Å
101I93.2Very high89.3Confident2 Ų261.6 Ų61.61%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-75139.9177.8-68.3166.2000111.7L72 K75 V82 V93 F103 P116L72-I101 HydrophobicContact CB-CD1 3.93Å; L72-I101 HydrophobicContact CD1-CG2 4.46Å; L72-I101 HydrophobicContact CD2-CD1 4.02Å; L72-I101 HydrophobicContact CG-CD1 4.4Å; K75-I101 HydrophobicContact CB-CD1 3.97Å; K75-I101 PolarHBondContact O-N 2.82Å; V82-I101 HydrophobicContact CB-CD1 4.34Å; V82-I101 HydrophobicContact CG1-CD1 3.74Å; V82-I101 HydrophobicContact CG1-CG1 4.46Å; V82-I101 HydrophobicContact CG2-CD1 3.62Å; V93-I101 HydrophobicContact CG1-CG1 4.41Å; V93-I101 HydrophobicContact CG1-CG2 3.48Å; V93-I101 VanDerWaalsContact CG1-CG2 3.48Å; I101-F103 HydrophobicContact CG2-CE1 4.31Å; I101-P116 HydrophobicContact CB-CG 4.15Å; I101-P116 HydrophobicContact CG2-CG 3.82Å; I101-P116 VanDerWaalsContact O-CD 3.3Å; I101-P116 WeakPolarHBondContact O-CD 3.36Å
102T95.2Very high89.5Confident13 Ų1363.2 Ų63.28%0.0834%0.335CS..EExtended strand (participates in β ladder)trans-131.8146.3165.5520000112.1E94 A96 P113 F114 V115E94-T102 PolarHBondContact N-O 3.37Å; E94-T102 PolarHBondContact O-N 2.98Å; A96-T102 HydrophobicContact CB-CG2 4.02Å; T102-P113 HydrophobicContact CG2-CB 4.38Å; T102-F114 CarbonylContact C-O 3.53Å; T102-F114 WeakPolarHBondContact CA-O 3.48Å; T102-V115 HydrophobicContact CG2-CG1 4.07Å
103F94.9Very high89.9Confident0 Ų062 Ų620%034%0.337CS..EExtended strand (participates in β ladder)trans-100.1145.1166.2-51.3-58000110F66 F69 L72 M89 H91 V93 I101 P113 F114 P116 I119F66-F103 HydrophobicContact CD1-CB 4.02Å; F66-F103 HydrophobicContact CD1-CD1 4.48Å; F66-F103 HydrophobicContact CD1-CG 4.17Å; F66-F103 HydrophobicContact CE1-CB 3.7Å; F66-F103 HydrophobicContact CE1-CG 4.33Å; F66-F103 HydrophobicContact CE2-CB 4.28Å; F66-F103 HydrophobicContact CG-CB 4.49Å; F66-F103 HydrophobicContact CG-CG 4.49Å; F66-F103 HydrophobicContact CZ-CB 3.84Å; F69-F103 HydrophobicContact CB-CE2 3.71Å; F69-F103 HydrophobicContact CB-CZ 3.86Å; L72-F103 HydrophobicContact CB-CZ 4.49Å; L72-F103 HydrophobicContact CD1-CE1 3.69Å; L72-F103 HydrophobicContact CD1-CZ 3.74Å; M89-F103 HydrophobicContact CE-CE1 4.01Å; H91-F103 AromaticContact CD2-CD1 3.9Å; H91-F103 AromaticContact NE2-CE1 3.83Å; V93-F103 HydrophobicContact CG2-CE1 4.33Å; I101-F103 HydrophobicContact CG2-CE1 4.31Å; F103-P113 CarbonylContact O-C 3.58Å; F103-P113 WeakPolarHBondContact O-CA 3.14Å; F103-F114 PolarHBondContact N-O 3.07Å; F103-F114 PolarHBondContact O-N 3.01Å; F103-P116 HydrophobicContact CE2-CB 4.01Å; F103-P116 HydrophobicContact CE2-CG 3.83Å; F103-P116 HydrophobicContact CZ-CB 4.36Å; F103-P116 HydrophobicContact CZ-CG 3.96Å; F103-I119 HydrophobicContact CD2-CG1 3.64Å; F103-I119 HydrophobicContact CE2-CG1 4.01Å
104S93Very high90.1Very high18 Ų1861.4 Ų61.413%0.12633%0.333CS..EExtended strand (participates in β ladder)trans-104.8108.3179.6-1570000109.8K111S104-K111 WeakPolarHBondContact OG-CD 3.41Å
105A92.6Very high90.3Very high1 Ų158.6 Ų58.61%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-99.8140.8178.700000111.2F43 F66 L107 K111 T112 F114F43-A105 HydrophobicContact CB-CB 4.3Å; F43-A105 HydrophobicContact CD1-CB 4.21Å; F43-A105 HydrophobicContact CD2-CB 3.75Å; F43-A105 HydrophobicContact CE1-CB 4.49Å; F43-A105 HydrophobicContact CE2-CB 4.08Å; F43-A105 HydrophobicContact CG-CB 3.82Å; F43-A105 HydrophobicContact CZ-CB 4.42Å; F66-A105 HydrophobicContact CE2-CB 3.89Å; F66-A105 HydrophobicContact CZ-CB 3.94Å; A105-L107 PolarHBondContact O-N 2.87Å; A105-K111 CarbonylContact O-C 3.55Å; A105-K111 WeakPolarHBondContact O-CA 3.49Å; A105-T112 PolarHBondContact N-O 3.44Å; A105-T112 PolarHBondContact O-N 3.11Å; A105-F114 HydrophobicContact CB-CD2 3.82Å; A105-F114 HydrophobicContact CB-CE2 3.83Å
106S90.4Very high90.6Very high46 Ų4656.1 Ų56.132%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-87.699.9172.2-177.90000111.2N64 Q110N64-S106 WeakPolarHBondContact OD1-CB 3.48Å; N64-S106 PolarHBondContact OD1-N 3.4Å; S106-Q110 CarbonylContact C-O 3.37Å; S106-Q110 WeakPolarHBondContact CA-O 3.41Å
107L84.6Confident91Very high22 Ų2255 Ų5512%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-108.2123.8173.9-83.8167.5000109.4F43 A105 G109 Q110 T112 F114 L613F43-L107 HydrophobicContact CD1-CD1 4.12Å; F43-L107 HydrophobicContact CD1-CD2 3.76Å; F43-L107 HydrophobicContact CD1-CG 3.86Å; F43-L107 HydrophobicContact CE1-CD1 4.05Å; F43-L107 HydrophobicContact CE1-CD2 4.32Å; F43-L107 HydrophobicContact CE1-CG 4.31Å; A105-L107 PolarHBondContact O-N 2.87Å; L107-G109 PolarHBondContact O-N 3.02Å; L107-G109 VanDerWaalsContact O-N 3.11Å; L107-Q110 PolarHBondContact N-O 3.35Å; L107-Q110 PolarHBondContact O-N 2.96Å; L107-T112 HydrophobicContact CD1-CG2 4.39Å; L107-F114 HydrophobicContact CD1-CE2 3.79Å; L107-F114 HydrophobicContact CD1-CZ 3.75Å; L107-L613 HydrophobicContact CD1-CD2 4.1Å; L107-L613 HydrophobicContact CD2-CD2 4.15Å
108K80.9Confident91.6Very high135 Ų13542.8 Ų42.859%0.58724%0.244SC*.THydrogen-bonded Turntrans51.335.2-179.7-63.2174.2-175.8171.40113.8D46 Q110D46-K108 WeakPolarHBondContact OD1-CE 3.43Å; D46-K108 WeakPolarHBondContact OD1-CG 3.41Å; K108-Q110 PolarHBondContact O-N 3.23Å
109G81.5Confident92.2Very high72 Ų7238.6 Ų38.674%0.74222%0.221SC*.THydrogen-bonded Turntrans73.92.1-176.200000115.5L107L107-G109 PolarHBondContact O-N 3.02Å; L107-G109 VanDerWaalsContact O-N 3.11Å
110Q88.3Confident92.6Very high144 Ų14437.5 Ų37.567%0.67321%0.209SC*.EExtended strand (participates in β ladder)trans-102.6144.6174.9-58.8-171.613.500110.8S106 L107 K108 T112S106-Q110 CarbonylContact C-O 3.37Å; S106-Q110 WeakPolarHBondContact CA-O 3.41Å; L107-Q110 PolarHBondContact N-O 3.35Å; L107-Q110 PolarHBondContact O-N 2.96Å; K108-Q110 PolarHBondContact O-N 3.23Å; Q110-T112 PolarHBondContact O-N 3.34Å
111K90.5Very high92.9Very high142 Ų14236.4 Ų36.462%0.61721%0.206SC*.EExtended strand (participates in β ladder)trans-80.2115.8171.5-79.7-171.9161.5-152.80110S104 A105S104-K111 WeakPolarHBondContact OG-CD 3.41Å; A105-K111 CarbonylContact O-C 3.55Å; A105-K111 WeakPolarHBondContact O-CA 3.49Å
112T91.8Very high93.2Very high44 Ų4437.4 Ų37.427%0.2721%0.211SC..EExtended strand (participates in β ladder)trans-109.7126175.8-54.80000109.8A105 L107 Q110 F114A105-T112 PolarHBondContact N-O 3.44Å; A105-T112 PolarHBondContact O-N 3.11Å; L107-T112 HydrophobicContact CD1-CG2 4.39Å; Q110-T112 PolarHBondContact O-N 3.34Å; T112-F114 HydrophobicContact CG2-CD2 4.26Å; T112-F114 HydrophobicContact CG2-CE2 3.62Å; T112-F114 HydrophobicContact CG2-CZ 3.95Å
113P93.8Very high93.3Very high83 Ų8336.8 Ų36.854%0.53921%0.207SC..EExtended strand (participates in β ladder)trans-78137.2175.331.7-33.1000111.2T102 F103T102-P113 HydrophobicContact CG2-CB 4.38Å; F103-P113 CarbonylContact O-C 3.58Å; F103-P113 WeakPolarHBondContact O-CA 3.14Å
114F95.7Very high93.5Very high2 Ų236.8 Ų36.81%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-127.4136172.4-72.9-88.5000110.4F43 T102 F103 A105 L107 T112 Q118 I119 I609 L613F43-F114 AromaticContact CE1-CE2 3.91Å; F43-F114 HydrophobicContact CE1-CE2 3.91Å; F43-F114 AromaticContact CE1-CZ 3.86Å; F43-F114 HydrophobicContact CE1-CZ 3.86Å; F43-F114 HydrophobicContact CZ-CD2 4.17Å; F43-F114 HydrophobicContact CZ-CE1 4.28Å; F43-F114 AromaticContact CZ-CE2 3.83Å; F43-F114 HydrophobicContact CZ-CE2 3.83Å; F43-F114 AromaticContact CZ-CZ 3.9Å; F43-F114 HydrophobicContact CZ-CZ 3.9Å; T102-F114 CarbonylContact C-O 3.53Å; T102-F114 WeakPolarHBondContact CA-O 3.48Å; F103-F114 PolarHBondContact N-O 3.07Å; F103-F114 PolarHBondContact O-N 3.01Å; A105-F114 HydrophobicContact CB-CD2 3.82Å; A105-F114 HydrophobicContact CB-CE2 3.83Å; L107-F114 HydrophobicContact CD1-CE2 3.79Å; L107-F114 HydrophobicContact CD1-CZ 3.75Å; T112-F114 HydrophobicContact CG2-CD2 4.26Å; T112-F114 HydrophobicContact CG2-CE2 3.62Å; T112-F114 HydrophobicContact CG2-CZ 3.95Å; F114-Q118 HydrophobicContact CD1-CB 4.01Å; F114-I119 HydrophobicContact CB-CD1 3.72Å; F114-I119 HydrophobicContact CB-CG1 4.24Å; F114-I119 HydrophobicContact CD1-CD1 4.36Å; F114-I119 HydrophobicContact CG-CD1 4.04Å; F114-I609 HydrophobicContact CE1-CG2 3.84Å; F114-I609 HydrophobicContact CZ-CG2 4.37Å; F114-L613 HydrophobicContact CE1-CD1 4.03Å; F114-L613 HydrophobicContact CZ-CD1 4.12Å
115V96.6Very high93.7Very high12 Ų1238 Ų387%0.07321%0.212CC..  trans-79154.3169.9-62.60000110.8T102 E117 Q118 I119 F598 F606T102-V115 HydrophobicContact CG2-CG1 4.07Å; V115-E117 HydrophobicContact CG2-CB 4.2Å; V115-E117 PolarHBondContact O-N 3.47Å; V115-E117 VanDerWaalsContact O-N 3.1Å; V115-Q118 HydrophobicContact CG2-CB 4.35Å; V115-Q118 HydrophobicContact CG2-CG 3.79Å; V115-Q118 WeakPolarHBondContact O-CB 3.37Å; V115-Q118 PolarHBondContact O-N 2.87Å; V115-I119 PolarHBondContact O-N 3.37Å; V115-F598 HydrophobicContact CB-CZ 4.21Å; V115-F598 HydrophobicContact CG1-CZ 4.12Å; V115-F598 HydrophobicContact CG2-CE2 4.32Å; V115-F598 HydrophobicContact CG2-CZ 3.9Å; V115-F606 HydrophobicContact CG2-CD2 4.49Å; V115-F606 HydrophobicContact CG2-CE2 3.79Å; V115-F606 HydrophobicContact CG2-CZ 3.86Å
116P97.2Very high93.9Very high2 Ų239.2 Ų39.21%0.01322%0.217CC..Hα-helixtrans-53.1-31.6178.8-28.736.2000114.9L72 L73 I101 F103 I119 L120L72-P116 HydrophobicContact CB-CB 4.34Å; L72-P116 HydrophobicContact CB-CG 3.97Å; L73-P116 HydrophobicContact CD2-CB 4.04Å; I101-P116 HydrophobicContact CB-CG 4.15Å; I101-P116 HydrophobicContact CG2-CG 3.82Å; I101-P116 VanDerWaalsContact O-CD 3.3Å; I101-P116 WeakPolarHBondContact O-CD 3.36Å; F103-P116 HydrophobicContact CE2-CB 4.01Å; F103-P116 HydrophobicContact CE2-CG 3.83Å; F103-P116 HydrophobicContact CZ-CB 4.36Å; F103-P116 HydrophobicContact CZ-CG 3.96Å; P116-I119 PolarHBondContact O-N 2.97Å; P116-L120 WeakPolarHBondContact O-CB 3.36Å; P116-L120 PolarHBondContact O-N 3.21Å
117E98Very high94.3Very high8 Ų837 Ų374%0.03720%0.202CC..Hα-helixtrans-65.8-34.9176.6-64.675.8-170.700112.4L73 G74 V115 A121 S157 A161 F598L73-E117 HydrophobicContact CD2-CG 4.01Å; G74-E117 PolarHBondContact N-OE1 3.29Å; V115-E117 HydrophobicContact CG2-CB 4.2Å; V115-E117 PolarHBondContact O-N 3.47Å; V115-E117 VanDerWaalsContact O-N 3.1Å; E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 3.41Å; E117-S157 WeakPolarHBondContact CG-O 3.43Å; E117-S157 WeakPolarHBondContact OE1-CB 3.35Å; E117-S157 PolarHBondContact OE1-OG 2.79Å; E117-A161 HydrophobicContact CB-CB 4.33Å; E117-A161 VanDerWaalsContact O-CB 3.31Å; E117-A161 WeakPolarHBondContact O-CB 3.41Å; E117-F598 HydrophobicContact CB-CE2 4.29Å; E117-F598 HydrophobicContact CG-CE2 3.91Å
118Q97.9Very high94.9Very high11 Ų1137.6 Ų37.65%0.05120%0.204CC..Hα-helixtrans-70.5-39.9174.3-70.2173.9-7100111.4F114 V115 L120 A121 I122 F606F114-Q118 HydrophobicContact CD1-CB 4.01Å; V115-Q118 HydrophobicContact CG2-CB 4.35Å; V115-Q118 HydrophobicContact CG2-CG 3.79Å; V115-Q118 WeakPolarHBondContact O-CB 3.37Å; V115-Q118 PolarHBondContact O-N 2.87Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-A121 WeakPolarHBondContact O-CB 3.35Å; Q118-A121 PolarHBondContact O-N 3.01Å; Q118-I122 WeakPolarHBondContact O-CG1 3.39Å; Q118-I122 PolarHBondContact O-N 3.36Å; Q118-F606 HydrophobicContact CG-CB 4.03Å; Q118-F606 HydrophobicContact CG-CD1 4.09Å; Q118-F606 HydrophobicContact CG-CD2 4.02Å; Q118-F606 HydrophobicContact CG-CG 3.79Å
119I98.1Very high95.6Very high0 Ų033.7 Ų33.70%019%0.188CC..Hα-helixtrans-66.5-38.9176.1-55.6-50.3000110.9V41 F43 F66 F69 F103 F114 V115 P116 I122 Q123V41-I119 HydrophobicContact CB-CG2 3.8Å; V41-I119 HydrophobicContact CG1-CG2 4.23Å; V41-I119 HydrophobicContact CG2-CG2 3.81Å; F43-I119 HydrophobicContact CE2-CD1 3.9Å; F43-I119 HydrophobicContact CZ-CD1 4.2Å; F66-I119 HydrophobicContact CB-CG2 4.14Å; F66-I119 HydrophobicContact CD2-CD1 3.91Å; F66-I119 HydrophobicContact CD2-CG1 4.29Å; F66-I119 HydrophobicContact CE2-CD1 4.28Å; F69-I119 HydrophobicContact CB-CB 4.38Å; F69-I119 HydrophobicContact CB-CG2 4.15Å; F69-I119 HydrophobicContact CD1-CG2 3.46Å; F69-I119 VanDerWaalsContact CD1-CG2 3.46Å; F69-I119 HydrophobicContact CD2-CB 4.34Å; F69-I119 HydrophobicContact CD2-CG2 3.94Å; F69-I119 HydrophobicContact CE1-CG2 3.73Å; F69-I119 HydrophobicContact CE2-CG2 4.19Å; F69-I119 HydrophobicContact CG-CB 4.16Å; F69-I119 HydrophobicContact CG-CG2 3.57Å; F69-I119 HydrophobicContact CZ-CG2 4.08Å; F103-I119 HydrophobicContact CD2-CG1 3.64Å; F103-I119 HydrophobicContact CE2-CG1 4.01Å; F114-I119 HydrophobicContact CB-CD1 3.72Å; F114-I119 HydrophobicContact CB-CG1 4.24Å; F114-I119 HydrophobicContact CD1-CD1 4.36Å; F114-I119 HydrophobicContact CG-CD1 4.04Å; V115-I119 PolarHBondContact O-N 3.37Å; P116-I119 PolarHBondContact O-N 2.97Å; I119-I122 HydrophobicContact CD1-CD1 4.3Å; I119-I122 PolarHBondContact O-N 2.84Å; I119-Q123 PolarHBondContact O-N 2.79Å
120L98.6Very high96.4Very high3 Ų330.7 Ų30.72%0.01615%0.154CC..Hα-helixtrans-64.1-39.4171.5179.858.4000112.1I10 F69 T70 L73 P116 Q118 I122 Q123 M124 V158 A161I10-L120 HydrophobicContact CD1-CD1 4.11Å; I10-L120 HydrophobicContact CG2-CD1 3.9Å; F69-L120 HydrophobicContact CD2-CB 4.24Å; F69-L120 HydrophobicContact CE2-CB 4.29Å; F69-L120 HydrophobicContact CE2-CD1 4.17Å; T70-L120 HydrophobicContact CG2-CD1 4.13Å; L73-L120 HydrophobicContact CD1-CD2 3.69Å; L73-L120 HydrophobicContact CD2-CB 4.24Å; L73-L120 HydrophobicContact CD2-CD2 3.83Å; L73-L120 HydrophobicContact CG-CD2 4.41Å; P116-L120 WeakPolarHBondContact O-CB 3.36Å; P116-L120 PolarHBondContact O-N 3.21Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 PolarHBondContact O-N 3.35Å; L120-Q123 WeakPolarHBondContact O-CB 3.24Å; L120-Q123 PolarHBondContact O-N 3.08Å; L120-M124 HydrophobicContact CD1-CE 3.99Å; L120-M124 HydrophobicContact CD1-CG 4.29Å; L120-M124 HydrophobicContact CD2-CE 3.94Å; L120-M124 HydrophobicContact CG-CE 3.84Å; L120-M124 HydrophobicContact CG-CG 4.44Å; L120-M124 HydrophobicContact CG-SD 4.14Å; L120-M124 WeakPolarHBondContact O-CB 3.44Å; L120-M124 WeakPolarHBondContact O-CG 3.5Å; L120-M124 PolarHBondContact O-N 2.68Å; L120-V158 HydrophobicContact CD2-CG2 4.24Å; L120-A161 HydrophobicContact CB-CB 3.92Å; L120-A161 HydrophobicContact CD2-CB 3.67Å; L120-A161 HydrophobicContact CG-CB 3.74Å
121A98.6Very high96.8Very high4 Ų423.8 Ų23.83%0.03312%0.122CC..Hα-helixtrans-63.3-38.617600000112.4E117 Q118 M124 N125 A161 V164 A165E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 3.41Å; Q118-A121 WeakPolarHBondContact O-CB 3.35Å; Q118-A121 PolarHBondContact O-N 3.01Å; A121-M124 PolarHBondContact O-N 3.49Å; A121-N125 WeakPolarHBondContact O-CB 3.41Å; A121-N125 PolarHBondContact O-N 3.41Å; A121-A161 WeakPolarHBondContact CB-O 3.4Å; A121-V164 HydrophobicContact CB-CB 3.69Å; A121-V164 HydrophobicContact CB-CG1 3.52Å; A121-A165 HydrophobicContact CB-CB 4.24Å
122I98.4Very high97.1Very high23 Ų2318.4 Ų18.412%0.11810%0.099CC..Hα-helixtrans-61.4-47.6172-70165.7000110.6V41 F43 V48 V50 Q118 I119 L120 M124 N125 K126 L613V41-I122 HydrophobicContact CG1-CB 4.48Å; V41-I122 HydrophobicContact CG1-CG2 3.75Å; V41-I122 HydrophobicContact CG2-CB 4.5Å; V41-I122 HydrophobicContact CG2-CG2 4Å; F43-I122 HydrophobicContact CZ-CD1 3.88Å; V48-I122 HydrophobicContact CG1-CD1 4.43Å; V48-I122 HydrophobicContact CG1-CG2 3.72Å; V50-I122 HydrophobicContact CG2-CG2 3.57Å; Q118-I122 WeakPolarHBondContact O-CG1 3.39Å; Q118-I122 PolarHBondContact O-N 3.36Å; I119-I122 HydrophobicContact CD1-CD1 4.3Å; I119-I122 PolarHBondContact O-N 2.84Å; L120-I122 VanDerWaalsContact C-N 3.33Å; L120-I122 PolarHBondContact O-N 3.35Å; I122-M124 PolarHBondContact O-N 2.82Å; I122-N125 PolarHBondContact O-N 2.91Å; I122-K126 PolarHBondContact O-N 3.17Å; I122-K126 VanDerWaalsContact O-N 3.11Å; I122-L613 HydrophobicContact CD1-CD1 4.17Å
123Q98.5Very high97.2Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-57.5-48.1174.7-177.675.827.500111.3I10 S15 P38 T39 C40 V41 F69 I119 L120 N125 K126 L127I10-Q123 HydrophobicContact CG2-CG 4.44Å; S15-Q123 PolarHBondContact OG-NE2 2.86Å; P38-Q123 PolarHBondContact O-NE2 3.37Å; P38-Q123 PolarHBondContact O-OE1 3.26Å; T39-Q123 HydrophobicContact CG2-CG 4.49Å; C40-Q123 PolarHBondContact O-OE1 3.08Å; V41-Q123 HydrophobicContact CG2-CB 4.32Å; F69-Q123 HydrophobicContact CE2-CB 4.12Å; F69-Q123 HydrophobicContact CZ-CB 3.96Å; F69-Q123 HydrophobicContact CZ-CG 4.21Å; I119-Q123 PolarHBondContact O-N 2.79Å; L120-Q123 WeakPolarHBondContact O-CB 3.24Å; L120-Q123 PolarHBondContact O-N 3.08Å; Q123-N125 VanDerWaalsContact C-N 3.32Å; Q123-N125 PolarHBondContact O-N 2.9Å; Q123-K126 WeakPolarHBondContact O-CB 3.26Å; Q123-K126 PolarHBondContact O-N 2.81Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.21Å
124M98.5Very high97.3Very high0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-62.8-36178.3-74.6174.8170.100112.8I10 L120 A121 I122 K126 L127 K128 V144 V158 A161 T162 A165 L167I10-M124 HydrophobicContact CD1-CE 3.59Å; I10-M124 HydrophobicContact CD1-CG 3.7Å; L120-M124 HydrophobicContact CD1-CE 3.99Å; L120-M124 HydrophobicContact CD1-CG 4.29Å; L120-M124 HydrophobicContact CD2-CE 3.94Å; L120-M124 HydrophobicContact CG-CE 3.84Å; L120-M124 HydrophobicContact CG-CG 4.44Å; L120-M124 HydrophobicContact CG-SD 4.14Å; L120-M124 WeakPolarHBondContact O-CB 3.44Å; L120-M124 WeakPolarHBondContact O-CG 3.5Å; L120-M124 PolarHBondContact O-N 2.68Å; A121-M124 PolarHBondContact O-N 3.49Å; I122-M124 PolarHBondContact O-N 2.82Å; M124-K126 VanDerWaalsContact C-N 3.33Å; M124-L127 PolarHBondContact O-N 2.9Å; M124-K128 WeakPolarHBondContact O-CB 3.34Å; M124-K128 PolarHBondContact O-N 3.27Å; M124-V144 HydrophobicContact CE-CG1 3.95Å; M124-V144 HydrophobicContact CE-CG2 4.31Å; M124-V158 HydrophobicContact CE-CG1 3.95Å; M124-A161 HydrophobicContact SD-CB 4.25Å; M124-T162 HydrophobicContact CE-CG2 3.56Å; M124-T162 HydrophobicContact SD-CG2 3.54Å; M124-T162 VanDerWaalsContact SD-CG2 3.54Å; M124-A165 HydrophobicContact CB-CB 3.68Å; M124-A165 HydrophobicContact SD-CB 4.46Å; M124-L167 HydrophobicContact CB-CD1 4.16Å
125N97.1Very high97.1Very high44 Ų4422 Ų2224%0.23512%0.118CC..Hα-helixtrans-66-36.4175.8-165.9-91.9000111.6A121 I122 Q123 K128 E129 I614A121-N125 WeakPolarHBondContact O-CB 3.41Å; A121-N125 PolarHBondContact O-N 3.41Å; I122-N125 PolarHBondContact O-N 2.91Å; Q123-N125 VanDerWaalsContact C-N 3.32Å; Q123-N125 PolarHBondContact O-N 2.9Å; N125-K128 WeakPolarHBondContact O-CB 3.37Å; N125-K128 PolarHBondContact O-N 3.24Å; N125-E129 PolarHBondContact O-N 3.42Å; N125-I614 WeakPolarHBondContact ND2-CD1 3.41Å; N125-I614 WeakPolarHBondContact OD1-CD1 3.25Å
126K97.4Very high96.9Very high26 Ų2625 Ų2511%0.11315%0.151CC..Hα-helixtrans-66.1-44171.3-178.554.2168.6166.20112.6E31 V50 I122 Q123 M124 K128 E129 I130E31-K126 WeakPolarHBondContact OE1-CE 3.23Å; E31-K126 IonicContact OE1-NZ 3.69Å; E31-K126 PolarHBondContact OE1-NZ 2.66Å; E31-K126 WeakPolarHBondContact OE2-CE 3.4Å; E31-K126 IonicContact OE2-NZ 2.64Å; E31-K126 PolarHBondContact OE2-NZ 2.75Å; E31-K126 VanDerWaalsContact OE2-NZ 3.08Å; V50-K126 HydrophobicContact CB-CB 3.87Å; V50-K126 HydrophobicContact CB-CG 3.87Å; V50-K126 HydrophobicContact CG1-CB 3.5Å; V50-K126 VanDerWaalsContact CG1-CB 3.5Å; V50-K126 HydrophobicContact CG1-CG 3.74Å; V50-K126 HydrophobicContact CG2-CB 4.35Å; I122-K126 PolarHBondContact O-N 3.17Å; I122-K126 VanDerWaalsContact O-N 3.11Å; Q123-K126 WeakPolarHBondContact O-CB 3.26Å; Q123-K126 PolarHBondContact O-N 2.81Å; M124-K126 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.48Å; K126-E129 WeakPolarHBondContact CD-OE2 3.12Å; K126-E129 IonicContact NZ-OE2 3.67Å; K126-E129 PolarHBondContact NZ-OE2 3.21Å; K126-E129 PolarHBondContact O-N 2.72Å; K126-I130 HydrophobicContact CD-CD1 4.26Å; K126-I130 HydrophobicContact CD-CG1 4.34Å; K126-I130 HydrophobicContact CG-CD1 4.1Å; K126-I130 WeakPolarHBondContact O-CG1 3.45Å; K126-I130 PolarHBondContact O-N 3.39Å
127L98.4Very high96.6Very high0 Ų026.9 Ų26.90%016%0.164CC..Hα-helixtrans-60.1-39.1174.8-59.7-179.8000110.9F8 I10 I17 T37 Q123 M124 T131F8-L127 HydrophobicContact CB-CD1 4.4Å; F8-L127 HydrophobicContact CD1-CB 4.26Å; F8-L127 HydrophobicContact CD1-CD1 4.34Å; F8-L127 HydrophobicContact CD2-CB 4.42Å; F8-L127 HydrophobicContact CD2-CD1 4.19Å; F8-L127 HydrophobicContact CE1-CB 3.81Å; F8-L127 HydrophobicContact CE2-CB 3.97Å; F8-L127 HydrophobicContact CG-CD1 4.09Å; F8-L127 HydrophobicContact CZ-CB 3.66Å; I10-L127 HydrophobicContact CD1-CD1 4Å; I10-L127 HydrophobicContact CG1-CD1 3.94Å; I17-L127 HydrophobicContact CD1-CB 4.03Å; I17-L127 HydrophobicContact CD1-CD2 3.91Å; I17-L127 WeakPolarHBondContact CD1-O 3.32Å; I17-L127 HydrophobicContact CG1-CB 4.17Å; I17-L127 HydrophobicContact CG1-CD2 3.97Å; I17-L127 HydrophobicContact CG1-CG 4.49Å; T37-L127 HydrophobicContact CG2-CD2 4.14Å; Q123-L127 WeakPolarHBondContact O-CG 3.5Å; Q123-L127 PolarHBondContact O-N 3.21Å; M124-L127 PolarHBondContact O-N 2.9Å; L127-T131 WeakPolarHBondContact O-CB 3.2Å; L127-T131 PolarHBondContact O-N 3.16Å; L127-T131 PolarHBondContact O-OG1 2.9Å
128K97.1Very high96.3Very high34 Ų3433.9 Ų33.915%0.14820%0.195CC..Hα-helixtrans-60.3-50.5171-178.7-175.2-174.7163.50112.2M124 N125 K126 I130 T131 E132 V139 G166 L167M124-K128 WeakPolarHBondContact O-CB 3.34Å; M124-K128 PolarHBondContact O-N 3.27Å; N125-K128 WeakPolarHBondContact O-CB 3.37Å; N125-K128 PolarHBondContact O-N 3.24Å; K126-K128 PolarHBondContact O-N 3.48Å; K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 PolarHBondContact O-N 2.91Å; K128-T131 PolarHBondContact O-N 2.88Å; K128-T131 VanDerWaalsContact O-N 3.14Å; K128-E132 WeakPolarHBondContact CE-OE1 3.35Å; K128-E132 HydrophobicContact CG-CG 4.17Å; K128-E132 WeakPolarHBondContact O-CB 3.12Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 2.89Å; K128-V139 WeakPolarHBondContact CE-O 3.36Å; K128-V139 HydrophobicContact CG-CB 4.3Å; K128-V139 PolarHBondContact NZ-O 2.79Å; K128-G166 PolarHBondContact NZ-O 3.35Å; K128-L167 HydrophobicContact CB-CD2 4.48Å; K128-L167 HydrophobicContact CD-CD2 3.78Å; K128-L167 HydrophobicContact CD-CG 4.31Å; K128-L167 HydrophobicContact CG-CD2 4.18Å
129E96.1Very high96.1Very high54 Ų5433.4 Ų33.425%0.25219%0.193SC..Hα-helixtrans-54.4-47.7177.4-175.1-170.9-140.500111.7N125 K126 T133 R621N125-E129 PolarHBondContact O-N 3.42Å; K126-E129 WeakPolarHBondContact CD-OE2 3.12Å; K126-E129 IonicContact NZ-OE2 3.67Å; K126-E129 PolarHBondContact NZ-OE2 3.21Å; K126-E129 PolarHBondContact O-N 2.72Å; E129-T133 WeakPolarHBondContact O-CB 3.47Å; E129-T133 PolarHBondContact O-N 2.77Å; E129-T133 PolarHBondContact O-OG1 3.29Å; E129-R621 IonicContact OE1-CZ 3.58Å; E129-R621 IonicContact OE1-NH1 2.97Å; E129-R621 PolarHBondContact OE1-NH1 3.31Å; E129-R621 IonicContact OE1-NH2 2.71Å; E129-R621 PolarHBondContact OE1-NH2 2.93Å
130I97.7Very high95.8Very high8 Ų837.6 Ų37.64%0.04122%0.218CC..Hα-helixtrans-58.2-50.7175.7-67.2162.7000110.1I17 I28 T29 N30 T37 K126 K128 T133 T134I17-I130 HydrophobicContact CD1-CB 3.93Å; I17-I130 HydrophobicContact CD1-CD1 4.45Å; I17-I130 HydrophobicContact CD1-CG2 3.69Å; I28-I130 HydrophobicContact CD1-CG2 4.07Å; T29-I130 VanDerWaalsContact O-CG2 3.27Å; T29-I130 WeakPolarHBondContact O-CG2 3.37Å; N30-I130 HydrophobicContact CB-CD1 3.8Å; N30-I130 HydrophobicContact CB-CG1 4.43Å; T37-I130 HydrophobicContact CG2-CD1 4.32Å; K126-I130 HydrophobicContact CD-CD1 4.26Å; K126-I130 HydrophobicContact CD-CG1 4.34Å; K126-I130 HydrophobicContact CG-CD1 4.1Å; K126-I130 WeakPolarHBondContact O-CG1 3.45Å; K126-I130 PolarHBondContact O-N 3.39Å; K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 PolarHBondContact O-N 2.91Å; I130-T133 PolarHBondContact O-N 3.43Å; I130-T134 PolarHBondContact O-N 3.39Å; I130-T134 PolarHBondContact O-OG1 2.94Å
131T97.1Very high95.6Very high0 Ų040 Ų400%023%0.231CC..Hα-helixtrans-63-47.1-177.8-41.10000112V6 I17 V19 I28 L127 K128 T133 T134 I135 V139V6-T131 HydrophobicContact CG1-CG2 4.03Å; V6-T131 HydrophobicContact CG2-CG2 3.84Å; I17-T131 HydrophobicContact CG2-CG2 4.12Å; I17-T131 WeakPolarHBondContact CG2-OG1 3.42Å; V19-T131 HydrophobicContact CG2-CG2 3.88Å; I28-T131 HydrophobicContact CD1-CG2 4.04Å; L127-T131 WeakPolarHBondContact O-CB 3.2Å; L127-T131 PolarHBondContact O-N 3.16Å; L127-T131 PolarHBondContact O-OG1 2.9Å; K128-T131 PolarHBondContact O-N 2.88Å; K128-T131 VanDerWaalsContact O-N 3.14Å; T131-T133 VanDerWaalsContact C-N 3.28Å; T131-T133 PolarHBondContact O-N 2.87Å; T131-T134 PolarHBondContact O-N 3.48Å; T131-I135 HydrophobicContact CG2-CD1 4.13Å; T131-I135 HydrophobicContact CG2-CG2 4.32Å; T131-I135 VanDerWaalsContact O-CG1 3.25Å; T131-I135 WeakPolarHBondContact O-CG1 3.48Å; T131-I135 WeakPolarHBondContact O-CG2 3.47Å; T131-I135 PolarHBondContact O-N 3.39Å; T131-V139 HydrophobicContact CG2-CG2 3.86Å
132E95.8Very high95.5Very high29 Ų2939.9 Ų39.914%0.13623%0.229CC..Hα-helixtrans-61-38.3179.1-68.9-170.1165.600111.8K128 G136 S137 K138 V139K128-E132 WeakPolarHBondContact CE-OE1 3.35Å; K128-E132 HydrophobicContact CG-CG 4.17Å; K128-E132 WeakPolarHBondContact O-CB 3.12Å; K128-E132 WeakPolarHBondContact O-CG 3.37Å; K128-E132 PolarHBondContact O-N 2.89Å; E132-G136 WeakPolarHBondContact O-CA 3.37Å; E132-G136 PolarHBondContact O-N 2.83Å; E132-S137 WeakPolarHBondContact CA-O 3.42Å; E132-S137 WeakPolarHBondContact CG-O 3.41Å; E132-K138 HydrophobicContact CG-CD 4.49Å; E132-K138 WeakPolarHBondContact OE1-CA 3.24Å; E132-K138 WeakPolarHBondContact OE1-CD 3.28Å; E132-K138 IonicContact OE1-NZ 3.97Å; E132-K138 VanDerWaalsContact OE2-CD 3.24Å; E132-K138 WeakPolarHBondContact OE2-CD 3.47Å; E132-K138 IonicContact OE2-NZ 2.79Å; E132-K138 PolarHBondContact OE2-NZ 2.92Å; E132-V139 HydrophobicContact CG-CB 4.08Å; E132-V139 HydrophobicContact CG-CG2 3.89Å; E132-V139 PolarHBondContact OE1-N 2.7Å
133T95.2Very high95.5Very high113 Ų11338.8 Ų38.869%0.69322%0.224SC*.Hα-helixtrans-65.9-45.3175.8-55.20000111.4E129 I130 T131E129-T133 WeakPolarHBondContact O-CB 3.47Å; E129-T133 PolarHBondContact O-N 2.77Å; E129-T133 PolarHBondContact O-OG1 3.29Å; I130-T133 PolarHBondContact O-N 3.43Å; T131-T133 VanDerWaalsContact C-N 3.28Å; T131-T133 PolarHBondContact O-N 2.87Å
134T94.2Very high95.5Very high52 Ų5238.9 Ų38.932%0.31922%0.224SC..Hα-helixtrans-71-31.8-178.4-54.10000113.8I28 I130 T131I28-T134 HydrophobicContact CB-CG2 4.11Å; I28-T134 HydrophobicContact CD1-CG2 4.31Å; I28-T134 HydrophobicContact CG2-CG2 3.82Å; I130-T134 PolarHBondContact O-N 3.39Å; I130-T134 PolarHBondContact O-OG1 2.94Å; T131-T134 PolarHBondContact O-N 3.48Å
135I91.9Very high95.5Very high40 Ų4039.3 Ų39.321%0.20523%0.227CC..Hα-helixtrans-99.3-14-17677.4-163.7000113.7S4 V19 T131 S137 V139S4-I135 WeakPolarHBondContact OG-CD1 3.32Å; V19-I135 HydrophobicContact CG1-CG2 4.15Å; T131-I135 HydrophobicContact CG2-CD1 4.13Å; T131-I135 HydrophobicContact CG2-CG2 4.32Å; T131-I135 VanDerWaalsContact O-CG1 3.25Å; T131-I135 WeakPolarHBondContact O-CG1 3.48Å; T131-I135 WeakPolarHBondContact O-CG2 3.47Å; T131-I135 PolarHBondContact O-N 3.39Å; I135-S137 VanDerWaalsContact C-N 3.27Å; I135-S137 WeakPolarHBondContact CD1-O 3.37Å; I135-S137 WeakPolarHBondContact CD1-OG 3.42Å; I135-S137 WeakPolarHBondContact CG1-O 3.19Å; I135-S137 WeakPolarHBondContact CG1-OG 3.38Å; I135-S137 PolarHBondContact O-N 3.29Å; I135-V139 HydrophobicContact CD1-CG2 3.5Å; I135-V139 VanDerWaalsContact CD1-CG2 3.5Å
136G92.3Very high95.5Very high74 Ų7437.2 Ų37.276%0.76322%0.216SC*.THydrogen-bonded Turntrans69.717-177.300000114.9E132E132-G136 WeakPolarHBondContact O-CA 3.37Å; E132-G136 PolarHBondContact O-N 2.83Å
137S91.3Very high95.5Very high41 Ų4136.9 Ų36.929%0.28722%0.216SC..SBendtrans-139.8159.1-178.885.40000111.6S4 E132 I135S4-S137 PolarHBondContact OG-OG 2.91Å; S4-S137 VanDerWaalsContact OG-OG 3.05Å; E132-S137 WeakPolarHBondContact CA-O 3.42Å; E132-S137 WeakPolarHBondContact CG-O 3.41Å; I135-S137 VanDerWaalsContact C-N 3.27Å; I135-S137 WeakPolarHBondContact CD1-O 3.37Å; I135-S137 WeakPolarHBondContact CD1-OG 3.42Å; I135-S137 WeakPolarHBondContact CG1-O 3.19Å; I135-S137 WeakPolarHBondContact CG1-OG 3.38Å; I135-S137 PolarHBondContact O-N 3.29Å
138K92.7Very high95.3Very high156 Ų15637.1 Ų37.168%0.67822%0.218SC*.  trans-67.1145.3173.8-70.1-60.3-178.3-176.30112.3E132E132-K138 HydrophobicContact CG-CD 4.49Å; E132-K138 WeakPolarHBondContact OE1-CA 3.24Å; E132-K138 WeakPolarHBondContact OE1-CD 3.28Å; E132-K138 IonicContact OE1-NZ 3.97Å; E132-K138 VanDerWaalsContact OE2-CD 3.24Å; E132-K138 WeakPolarHBondContact OE2-CD 3.47Å; E132-K138 IonicContact OE2-NZ 2.79Å; E132-K138 PolarHBondContact OE2-NZ 2.92Å
139V93.7Very high95.1Very high1 Ų135.6 Ų35.61%0.00621%0.211CC..  trans-108.1125.5173.71750000108.5V6 K128 T131 E132 I135 V142 L167V6-V139 HydrophobicContact CB-CG1 4.35Å; V6-V139 HydrophobicContact CG2-CG1 4.03Å; V6-V139 HydrophobicContact CG2-CG2 4.08Å; K128-V139 WeakPolarHBondContact CE-O 3.36Å; K128-V139 HydrophobicContact CG-CB 4.3Å; K128-V139 PolarHBondContact NZ-O 2.79Å; T131-V139 HydrophobicContact CG2-CG2 3.86Å; E132-V139 HydrophobicContact CG-CB 4.08Å; E132-V139 HydrophobicContact CG-CG2 3.89Å; E132-V139 PolarHBondContact OE1-N 2.7Å; I135-V139 HydrophobicContact CD1-CG2 3.5Å; I135-V139 VanDerWaalsContact CD1-CG2 3.5Å; V139-V142 HydrophobicContact CG1-CG1 3.82Å; V139-L167 HydrophobicContact CG1-CD2 4.07Å
140V91.1Very high95.1Very high87 Ų8733.5 Ų33.553%0.52720%0.201SC..  trans-121.8-57.3-179179.80000109N168V140-N168 HydrophobicContact CG1-CB 4.47Å; V140-N168 PolarHBondContact O-N 2.66Å
141D93.9Very high95Very high55 Ų5533.3 Ų33.329%0.29420%0.2SC..EExtended strand (participates in β ladder)trans-89.4130.9-177.8-65.6-38.2000111.6N168 V170D141-N168 WeakPolarHBondContact CA-O 3.43Å; D141-N168 WeakPolarHBondContact OD1-CB 3.42Å; D141-N168 PolarHBondContact OD1-ND2 3.28Å; D141-V170 HydrophobicContact CB-CG2 3.68Å
142V96.9Very high95Very high0 Ų033.5 Ų33.50%020%0.201CC..EExtended strand (participates in β ladder)trans-137.5149.9176.9-64.20000111.8V6 F8 V139 V144 L167 N168 C169 V170V6-V142 HydrophobicContact CB-CG1 4.23Å; V6-V142 HydrophobicContact CG1-CG1 4.22Å; V6-V142 WeakPolarHBondContact O-CA 3.36Å; F8-V142 HydrophobicContact CD2-CG1 4.45Å; F8-V142 HydrophobicContact CE2-CG1 4.01Å; F8-V142 HydrophobicContact CZ-CG1 4.18Å; V139-V142 HydrophobicContact CG1-CG1 3.82Å; V142-V144 HydrophobicContact CG2-CG2 3.93Å; V142-L167 HydrophobicContact CG1-CD1 4.38Å; V142-L167 HydrophobicContact CG1-CD2 4.01Å; V142-L167 HydrophobicContact CG2-CB 4.07Å; V142-L167 HydrophobicContact CG2-CD1 4.27Å; V142-N168 PolarHBondContact N-O 3.04Å; V142-C169 CarbonylContact O-C 3.53Å; V142-C169 WeakPolarHBondContact O-CA 3.5Å; V142-V170 PolarHBondContact O-N 2.96Å
143V98.1Very high95Very high0 Ų032.6 Ų32.60%020%0.199CC..EExtended strand (participates in β ladder)trans-102.6137.2157.3169.20000108.6V6 G7 F8 K171 V173 C378 Q381 A382V6-V143 PolarHBondContact O-N 3.34Å; G7-V143 CarbonylContact C-O 3.59Å; G7-V143 WeakPolarHBondContact CA-O 3.44Å; F8-V143 PolarHBondContact N-O 3.07Å; V143-K171 WeakPolarHBondContact CA-O 3.48Å; V143-K171 HydrophobicContact CG1-CB 4.44Å; V143-K171 WeakPolarHBondContact CG1-O 3.39Å; V143-K171 HydrophobicContact CG2-CB 3.91Å; V143-V173 HydrophobicContact CG1-CB 4.28Å; V143-V173 HydrophobicContact CG1-CG1 3.64Å; V143-C378 HydrophobicContact CB-CB 4.5Å; V143-C378 HydrophobicContact CG1-CB 4.03Å; V143-Q381 HydrophobicContact CG1-CB 4.03Å; V143-Q381 HydrophobicContact CG2-CB 4.42Å; V143-A382 HydrophobicContact CB-CB 3.98Å; V143-A382 HydrophobicContact CG2-CB 3.63Å
144V98.7Very high95.1Very high2 Ų227.4 Ų27.41%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-122.5137.3-179.7-170.20000108.5F8 I10 M124 V142 V158 T162 K171 L172 V173F8-V144 HydrophobicContact CD2-CG2 4.48Å; I10-V144 HydrophobicContact CD1-CG1 3.94Å; I10-V144 HydrophobicContact CG1-CG1 4.31Å; M124-V144 HydrophobicContact CE-CG1 3.95Å; M124-V144 HydrophobicContact CE-CG2 4.31Å; V142-V144 HydrophobicContact CG2-CG2 3.93Å; V144-V158 HydrophobicContact CG1-CG1 4.14Å; V144-T162 HydrophobicContact CG2-CG2 4.02Å; V144-K171 PolarHBondContact N-O 3.2Å; V144-L172 HydrophobicContact CB-CD2 4.01Å; V144-L172 WeakPolarHBondContact O-CA 3.5Å; V144-V173 PolarHBondContact O-N 3.01Å
145N98.4Very high95.3Very high10 Ų1025.5 Ų25.55%0.05315%0.153CC..EExtended strand (participates in β ladder)trans-71.6159.5172.273.3-40.8000112.1F8 D9 I10 V173 D175 V374F8-N145 PolarHBondContact O-N 2.97Å; F8-N145 PolarHBondContact O-OD1 3.41Å; D9-N145 VanDerWaalsContact CA-OD1 3.24Å; D9-N145 WeakPolarHBondContact CA-OD1 3.24Å; D9-N145 PolarHBondContact OD1-ND2 3.15Å; I10-N145 PolarHBondContact N-OD1 3.45Å; N145-V173 CarbonylContact C-O 3.51Å; N145-V173 VanDerWaalsContact CA-O 3.25Å; N145-V173 WeakPolarHBondContact CA-O 3.42Å; N145-D175 WeakPolarHBondContact CB-OD1 3.46Å; N145-D175 PolarHBondContact ND2-OD1 3.35Å; N145-V374 HydrophobicContact CB-CG1 3.62Å
146V97.9Very high95.6Very high0 Ų024.1 Ų24.10%015%0.145CC..EExtended strand (participates in β ladder)trans-137.6143.5162.4-690000109.5T148 Y150 V158 L172 V173 N174 D175V146-T148 PolarHBondContact O-N 2.94Å; V146-Y150 HydrophobicContact CB-CD2 3.62Å; V146-Y150 HydrophobicContact CB-CE2 4.13Å; V146-Y150 HydrophobicContact CB-CG 4.14Å; V146-Y150 HydrophobicContact CG1-CD2 3.6Å; V146-Y150 HydrophobicContact CG1-CE2 3.9Å; V146-V158 HydrophobicContact CG1-CG2 4.14Å; V146-L172 HydrophobicContact CG1-CB 4.39Å; V146-L172 HydrophobicContact CG1-CD1 4.22Å; V146-L172 HydrophobicContact CG1-CD2 4.19Å; V146-L172 HydrophobicContact CG2-CB 4.49Å; V146-V173 PolarHBondContact N-O 2.94Å; V146-N174 CarbonylContact O-C 3.27Å; V146-N174 WeakPolarHBondContact O-CA 3.28Å; V146-D175 PolarHBondContact O-N 3.34Å
147P96.4Very high95.8Very high18 Ų1820.6 Ų20.612%0.11711%0.109CC..  trans-53.8136.6165.2-25.334.7000110.4Y149 Y150 D175P147-Y149 HydrophobicContact CB-CD1 3.55Å; P147-Y149 HydrophobicContact CB-CE1 3.3Å; P147-Y149 HydrophobicContact CB-CG 4.49Å; P147-Y149 HydrophobicContact CG-CE1 4.03Å; P147-Y149 PolarHBondContact O-N 3.05Å; P147-Y150 HydrophobicContact CB-CD1 3.99Å; P147-Y150 HydrophobicContact CB-CE1 4.13Å; P147-Y150 HydrophobicContact CG-CD1 4.04Å; P147-Y150 HydrophobicContact CG-CE1 3.7Å; P147-Y150 WeakPolarHBondContact O-CB 3.41Å; P147-Y150 PolarHBondContact O-N 2.74Å; P147-D175 WeakPolarHBondContact CA-OD2 3.26Å
148T94Very high96.2Very high6 Ų618.9 Ų18.94%0.03710%0.097CC..THydrogen-bonded Turntrans-62.6-19-172.2-45.70000112.7V146 N174 Q211 T227 L401V146-T148 PolarHBondContact O-N 2.94Å; T148-N174 HydrophobicContact CG2-CB 4.07Å; T148-Q211 PolarHBondContact OG1-OE1 2.85Å; T148-T227 HydrophobicContact CG2-CG2 3.53Å; T148-L401 HydrophobicContact CG2-CD1 3.27Å; T148-L401 HydrophobicContact CG2-CD2 4.49Å; T148-L401 HydrophobicContact CG2-CG 4.5Å; T148-L401 WeakPolarHBondContact O-CD1 3.31Å
149Y94Very high96.4Very high2 Ų212.6 Ų12.61%0.0087%0.071CC..THydrogen-bonded Turntrans-79.5-8.4173.978.6-96.1000115.1R71 P147 T151 T209 C229 A231 Y402 P472R71-Y149 PolarHBondContact NH1-OH 2.78Å; P147-Y149 HydrophobicContact CB-CD1 3.55Å; P147-Y149 HydrophobicContact CB-CE1 3.3Å; P147-Y149 HydrophobicContact CB-CG 4.49Å; P147-Y149 HydrophobicContact CG-CE1 4.03Å; P147-Y149 PolarHBondContact O-N 3.05Å; Y149-T151 PolarHBondContact O-N 3.21Å; Y149-T209 HydrophobicContact CD1-CG2 3.95Å; Y149-T209 HydrophobicContact CE1-CG2 3.82Å; Y149-C229 VanDerWaalsContact CD1-SG 3.59Å; Y149-A231 HydrophobicContact CD1-CB 3.83Å; Y149-A231 HydrophobicContact CD2-CB 3.96Å; Y149-A231 HydrophobicContact CE1-CB 3.94Å; Y149-A231 HydrophobicContact CE2-CB 4.12Å; Y149-A231 HydrophobicContact CG-CB 3.85Å; Y149-Y402 VanDerWaalsContact CA-OH 3.29Å; Y149-Y402 WeakPolarHBondContact CA-OH 3.42Å; Y149-Y402 WeakPolarHBondContact O-CE2 3.49Å; Y149-Y402 PolarHBondContact O-OH 2.66Å; Y149-P472 HydrophobicContact CD2-CB 4.27Å; Y149-P472 HydrophobicContact CD2-CG 3.83Å; Y149-P472 HydrophobicContact CG-CG 4.17Å
150Y96.4Very high96.7Very high10 Ų1012.5 Ų12.54%0.0397%0.07CC..  trans-61.3126.9-179.7-89.722.3000111T70 L73 V146 P147 E154 R155 V158T70-Y150 PolarHBondContact O-OH 2.99Å; L73-Y150 HydrophobicContact CD1-CE2 4.2Å; L73-Y150 WeakPolarHBondContact CD1-OH 3.46Å; V146-Y150 HydrophobicContact CB-CD2 3.62Å; V146-Y150 HydrophobicContact CB-CE2 4.13Å; V146-Y150 HydrophobicContact CB-CG 4.14Å; V146-Y150 HydrophobicContact CG1-CD2 3.6Å; V146-Y150 HydrophobicContact CG1-CE2 3.9Å; P147-Y150 HydrophobicContact CB-CD1 3.99Å; P147-Y150 HydrophobicContact CB-CE1 4.13Å; P147-Y150 HydrophobicContact CG-CD1 4.04Å; P147-Y150 HydrophobicContact CG-CE1 3.7Å; P147-Y150 WeakPolarHBondContact O-CB 3.41Å; P147-Y150 PolarHBondContact O-N 2.74Å; Y150-E154 HydrophobicContact CD1-CB 4.04Å; Y150-E154 HydrophobicContact CD1-CG 4.5Å; Y150-E154 HydrophobicContact CD2-CB 3.6Å; Y150-E154 HydrophobicContact CE1-CB 4.36Å; Y150-E154 HydrophobicContact CE2-CB 4Å; Y150-E154 HydrophobicContact CG-CB 3.64Å; Y150-R155 PolarHBondContact O-NE 3.27Å; Y150-R155 PolarHBondContact O-NH2 2.88Å; Y150-R155 VanDerWaalsContact O-NH2 3.13Å; Y150-V158 HydrophobicContact CD2-CG2 4.37Å; Y150-V158 HydrophobicContact CE2-CG2 3.73Å
151T96Very high97Very high4 Ų48.4 Ų8.43%0.0255%0.045CC..  trans-79.9179.5172.173.70000111Y149 A153 E154 R155 Y402 Y465 L471 N473Y149-T151 PolarHBondContact O-N 3.21Å; T151-A153 PolarHBondContact O-N 3.37Å; T151-E154 WeakPolarHBondContact CA-OE2 3.37Å; T151-E154 VanDerWaalsContact CB-OE2 3.26Å; T151-E154 WeakPolarHBondContact CB-OE2 3.34Å; T151-E154 PolarHBondContact N-OE2 2.8Å; T151-E154 PolarHBondContact O-N 3.23Å; T151-E154 PolarHBondContact OG1-OE2 2.99Å; T151-R155 WeakPolarHBondContact O-CB 3.37Å; T151-R155 WeakPolarHBondContact O-CD 3.47Å; T151-R155 VanDerWaalsContact O-CG 3.25Å; T151-R155 WeakPolarHBondContact O-CG 3.38Å; T151-R155 PolarHBondContact O-N 2.7Å; T151-Y402 HydrophobicContact CG2-CD2 4.47Å; T151-Y402 HydrophobicContact CG2-CE2 4.24Å; T151-Y465 WeakPolarHBondContact CB-OH 3.43Å; T151-Y465 HydrophobicContact CG2-CE2 3.97Å; T151-L471 HydrophobicContact CG2-CD2 4.04Å; T151-N473 PolarHBondContact OG1-ND2 3.44Å
152D96.8Very high97.2Very high3 Ų35.9 Ų5.92%0.0163%0.032CC..Hα-helixtrans-55.9-39.7177.3-167-90.1000111.8R155 R156 Y465 I478 I507 F508D152-R155 PolarHBondContact O-N 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.05Å; D152-R156 IonicContact OD1-CZ 3.24Å; D152-R156 IonicContact OD1-NE 2.76Å; D152-R156 PolarHBondContact OD1-NE 3.44Å; D152-R156 IonicContact OD1-NH2 3.58Å; D152-R156 PolarHBondContact OD1-NH2 3.34Å; D152-R156 VanDerWaalsContact OD1-NH2 3.08Å; D152-R156 IonicContact OD2-NH2 3.9Å; D152-Y465 WeakPolarHBondContact CB-OH 3.4Å; D152-Y465 PolarHBondContact N-OH 3.47Å; D152-I478 HydrophobicContact CB-CG2 3.78Å; D152-I507 VanDerWaalsContact OD2-CA 3.23Å; D152-I507 WeakPolarHBondContact OD2-CA 3.34Å; D152-I507 VanDerWaalsContact OD2-CG2 3.26Å; D152-I507 WeakPolarHBondContact OD2-CG2 3.32Å; D152-F508 PolarHBondContact OD2-N 3.05Å
153A95.6Very high97.3Very high11 Ų1110.3 Ų10.39%0.0915%0.051CC..Hα-helixtrans-62.9-53178.200000112.2T151 R155 R156 S157 M596T151-A153 PolarHBondContact O-N 3.37Å; A153-R155 VanDerWaalsContact C-N 3.3Å; A153-R155 PolarHBondContact O-N 3.09Å; A153-R156 PolarHBondContact O-N 3.37Å; A153-S157 PolarHBondContact O-N 3.28Å; A153-S157 PolarHBondContact O-OG 2.76Å; A153-M596 HydrophobicContact CB-CB 4.01Å; A153-M596 HydrophobicContact CB-CG 4.09Å
154E97Very high97.3Very high3 Ų311.1 Ų11.11%0.0146%0.056CC..Hα-helixtrans-65.2-34.2179.5-63.6110.2159.700111.8L73 K75 Y150 T151 S157 V158 N473L73-E154 VanDerWaalsContact O-CG 3.25Å; L73-E154 WeakPolarHBondContact O-CG 3.43Å; K75-E154 WeakPolarHBondContact CE-OE1 3.5Å; K75-E154 IonicContact NZ-OE1 3.34Å; Y150-E154 HydrophobicContact CD1-CB 4.04Å; Y150-E154 HydrophobicContact CD1-CG 4.5Å; Y150-E154 HydrophobicContact CD2-CB 3.6Å; Y150-E154 HydrophobicContact CE1-CB 4.36Å; Y150-E154 HydrophobicContact CE2-CB 4Å; Y150-E154 HydrophobicContact CG-CB 3.64Å; T151-E154 WeakPolarHBondContact CA-OE2 3.37Å; T151-E154 VanDerWaalsContact CB-OE2 3.26Å; T151-E154 WeakPolarHBondContact CB-OE2 3.34Å; T151-E154 PolarHBondContact N-OE2 2.8Å; T151-E154 PolarHBondContact O-N 3.23Å; T151-E154 PolarHBondContact OG1-OE2 2.99Å; E154-S157 WeakPolarHBondContact O-CB 3.22Å; E154-S157 PolarHBondContact O-N 3.13Å; E154-V158 WeakPolarHBondContact O-CG2 3.37Å; E154-V158 PolarHBondContact O-N 2.89Å; E154-N473 PolarHBondContact OE1-ND2 2.95Å; E154-N473 PolarHBondContact OE2-ND2 3.15Å
155R98.1Very high97.2Very high13 Ų1311.2 Ų11.25%0.0496%0.057CC..Hα-helixtrans-64.2-44.8173.6-70.5166.3-170.5-81.6-14.3112.2Y150 T151 D152 A153 S157 V158 L159 L172 N174 H505 I507Y150-R155 PolarHBondContact O-NE 3.27Å; Y150-R155 PolarHBondContact O-NH2 2.88Å; Y150-R155 VanDerWaalsContact O-NH2 3.13Å; T151-R155 WeakPolarHBondContact O-CB 3.37Å; T151-R155 WeakPolarHBondContact O-CD 3.47Å; T151-R155 VanDerWaalsContact O-CG 3.25Å; T151-R155 WeakPolarHBondContact O-CG 3.38Å; T151-R155 PolarHBondContact O-N 2.7Å; D152-R155 PolarHBondContact O-N 3.25Å; A153-R155 VanDerWaalsContact C-N 3.3Å; A153-R155 PolarHBondContact O-N 3.09Å; R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.07Å; R155-V158 PolarHBondContact O-N 3.19Å; R155-L159 PolarHBondContact O-N 3.25Å; R155-L159 VanDerWaalsContact O-N 3.07Å; R155-L172 HydrophobicContact CB-CD1 3.9Å; R155-L172 HydrophobicContact CG-CD1 4.26Å; R155-L172 WeakPolarHBondContact O-CD1 3.42Å; R155-N174 PolarHBondContact NH1-OD1 3.46Å; R155-N174 PolarHBondContact NH2-OD1 3.01Å; R155-H505 WeakPolarHBondContact CD-O 3.43Å; R155-H505 PolarHBondContact NH1-O 3.02Å; R155-I507 HydrophobicContact CB-CD1 3.89Å; R155-I507 HydrophobicContact CB-CG1 3.75Å
156R97.8Very high97Very high10 Ų1012.9 Ų12.94%0.0388%0.076CC..Hα-helixtrans-61.7-40175-74.2-175.7-162-96.5-2.2111.8D152 A153 V158 L159 D160 I507 F508 N509 N595 Q597D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.05Å; D152-R156 IonicContact OD1-CZ 3.24Å; D152-R156 IonicContact OD1-NE 2.76Å; D152-R156 PolarHBondContact OD1-NE 3.44Å; D152-R156 IonicContact OD1-NH2 3.58Å; D152-R156 PolarHBondContact OD1-NH2 3.34Å; D152-R156 VanDerWaalsContact OD1-NH2 3.08Å; D152-R156 IonicContact OD2-NH2 3.9Å; A153-R156 PolarHBondContact O-N 3.37Å; R156-V158 PolarHBondContact O-N 3.47Å; R156-L159 PolarHBondContact O-N 2.92Å; R156-D160 WeakPolarHBondContact O-CB 3.46Å; R156-D160 PolarHBondContact O-N 3.47Å; R156-I507 HydrophobicContact CG-CD1 3.94Å; R156-I507 HydrophobicContact CG-CG2 4.43Å; R156-I507 VanDerWaalsContact NH2-CG2 3.29Å; R156-F508 PolarHBondContact NH2-O 3.24Å; R156-N509 PolarHBondContact NH1-OD1 3.26Å; R156-N509 PolarHBondContact NH2-OD1 3.02Å; R156-N595 VanDerWaalsContact CZ-ND2 3.31Å; R156-N595 PolarHBondContact NH1-ND2 3.39Å; R156-Q597 HydrophobicContact CB-CG 4.34Å
157S97.9Very high97Very high0 Ų013.3 Ų13.30%08%0.079CC..Hα-helixtrans-61.7-38.4174.7-76.40000113.7G74 E117 A153 E154 R155 D160 A161G74-S157 WeakPolarHBondContact CA-OG 3.48Å; G74-S157 PolarHBondContact N-OG 2.8Å; E117-S157 WeakPolarHBondContact CG-O 3.43Å; E117-S157 WeakPolarHBondContact OE1-CB 3.35Å; E117-S157 PolarHBondContact OE1-OG 2.79Å; A153-S157 PolarHBondContact O-N 3.28Å; A153-S157 PolarHBondContact O-OG 2.76Å; E154-S157 WeakPolarHBondContact O-CB 3.22Å; E154-S157 PolarHBondContact O-N 3.13Å; R155-S157 VanDerWaalsContact C-N 3.31Å; R155-S157 PolarHBondContact O-N 3.07Å; S157-D160 PolarHBondContact O-N 2.54Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 3.45Å
158V98.6Very high96.9Very high5 Ų516.6 Ų16.63%0.0310%0.096CC..Hα-helixtrans-65.6-43.8171.6-179.60000111.1L73 L120 M124 V144 V146 Y150 E154 R155 R156 D160 A161 T162 L172L73-V158 HydrophobicContact CD1-CG2 3.69Å; L120-V158 HydrophobicContact CD2-CG2 4.24Å; M124-V158 HydrophobicContact CE-CG1 3.95Å; V144-V158 HydrophobicContact CG1-CG1 4.14Å; V146-V158 HydrophobicContact CG1-CG2 4.14Å; Y150-V158 HydrophobicContact CD2-CG2 4.37Å; Y150-V158 HydrophobicContact CE2-CG2 3.73Å; E154-V158 WeakPolarHBondContact O-CG2 3.37Å; E154-V158 PolarHBondContact O-N 2.89Å; R155-V158 PolarHBondContact O-N 3.19Å; R156-V158 PolarHBondContact O-N 3.47Å; V158-D160 VanDerWaalsContact C-N 3.31Å; V158-D160 PolarHBondContact O-N 2.84Å; V158-A161 PolarHBondContact O-N 3Å; V158-T162 WeakPolarHBondContact O-CG2 3.14Å; V158-T162 PolarHBondContact O-N 3.46Å; V158-L172 HydrophobicContact CB-CD1 4.3Å; V158-L172 HydrophobicContact CB-CD2 4.2Å; V158-L172 HydrophobicContact CG1-CD2 3.57Å
159L98.5Very high97.1Very high24 Ų2416.9 Ų16.913%0.12610%0.097CC..Hα-helixtrans-60.2-42.3176-68.5-177000112R155 R156 T162 K163 C169 L172 I507R155-L159 PolarHBondContact O-N 3.25Å; R155-L159 VanDerWaalsContact O-N 3.07Å; R156-L159 PolarHBondContact O-N 2.92Å; L159-T162 WeakPolarHBondContact CA-OG1 3.47Å; L159-T162 PolarHBondContact O-N 3.42Å; L159-T162 PolarHBondContact O-OG1 3Å; L159-K163 WeakPolarHBondContact O-CG 3.44Å; L159-K163 PolarHBondContact O-N 2.85Å; L159-K163 VanDerWaalsContact O-N 3.09Å; L159-C169 HydrophobicContact CD2-CB 3.7Å; L159-L172 HydrophobicContact CD2-CD1 3.99Å; L159-L172 HydrophobicContact CD2-CD2 4.29Å; L159-L172 HydrophobicContact CD2-CG 3.9Å; L159-L172 HydrophobicContact CG-CD1 3.94Å; L159-L172 HydrophobicContact CG-CG 4.41Å; L159-I507 HydrophobicContact CD1-CD1 3.44Å; L159-I507 VanDerWaalsContact CD1-CD1 3.44Å; L159-I507 HydrophobicContact CG-CD1 4.34Å
160D98.4Very high97.1Very high0 Ų019 Ų190%011%0.11CC..Hα-helixtrans-65.1-41.8177.3-77.60.3000111.5R156 S157 V158 T162 K163 V164 Q597 F598 L603R156-D160 WeakPolarHBondContact O-CB 3.46Å; R156-D160 PolarHBondContact O-N 3.47Å; S157-D160 PolarHBondContact O-N 2.54Å; V158-D160 VanDerWaalsContact C-N 3.31Å; V158-D160 PolarHBondContact O-N 2.84Å; D160-T162 VanDerWaalsContact C-N 3.35Å; D160-T162 PolarHBondContact O-N 3.33Å; D160-K163 PolarHBondContact O-N 3.07Å; D160-K163 IonicContact OD1-NZ 2.68Å; D160-K163 PolarHBondContact OD1-NZ 2.75Å; D160-V164 WeakPolarHBondContact O-CG2 3.34Å; D160-V164 PolarHBondContact O-N 3.14Å; D160-Q597 WeakPolarHBondContact OD1-CG 3.25Å; D160-Q597 PolarHBondContact OD1-NE2 2.94Å; D160-Q597 WeakPolarHBondContact OD2-CG 3.49Å; D160-F598 HydrophobicContact CB-CD2 4.43Å; D160-F598 PolarHBondContact OD2-N 3.36Å; D160-L603 HydrophobicContact CB-CD2 3.71Å
161A98.5Very high97.1Very high0 Ų019.3 Ų19.30%011%0.112CC..Hα-helixtrans-59.9-40171.300000112.8E117 L120 A121 M124 S157 V158 K163 V164 A165E117-A161 HydrophobicContact CB-CB 4.33Å; E117-A161 VanDerWaalsContact O-CB 3.31Å; E117-A161 WeakPolarHBondContact O-CB 3.41Å; L120-A161 HydrophobicContact CB-CB 3.92Å; L120-A161 HydrophobicContact CD2-CB 3.67Å; L120-A161 HydrophobicContact CG-CB 3.74Å; A121-A161 WeakPolarHBondContact CB-O 3.4Å; M124-A161 HydrophobicContact SD-CB 4.25Å; S157-A161 WeakPolarHBondContact O-CB 3.49Å; S157-A161 PolarHBondContact O-N 3.45Å; V158-A161 PolarHBondContact O-N 3Å; A161-K163 PolarHBondContact O-N 3.32Å; A161-V164 PolarHBondContact O-N 2.99Å; A161-A165 WeakPolarHBondContact O-CB 3.16Å; A161-A165 PolarHBondContact O-N 3.39Å
162T98.2Very high97.3Very high3 Ų319.2 Ų19.22%0.01811%0.111CC..Hα-helixtrans-64.6-39.6176.758.90000112.5M124 V144 V158 L159 D160 V164 A165 G166 L167 C169M124-T162 HydrophobicContact CE-CG2 3.56Å; M124-T162 HydrophobicContact SD-CG2 3.54Å; M124-T162 VanDerWaalsContact SD-CG2 3.54Å; V144-T162 HydrophobicContact CG2-CG2 4.02Å; V158-T162 WeakPolarHBondContact O-CG2 3.14Å; V158-T162 PolarHBondContact O-N 3.46Å; L159-T162 WeakPolarHBondContact CA-OG1 3.47Å; L159-T162 PolarHBondContact O-N 3.42Å; L159-T162 PolarHBondContact O-OG1 3Å; D160-T162 VanDerWaalsContact C-N 3.35Å; D160-T162 PolarHBondContact O-N 3.33Å; T162-V164 PolarHBondContact O-N 2.96Å; T162-A165 PolarHBondContact O-N 2.76Å; T162-G166 PolarHBondContact O-N 3.35Å; T162-L167 CarbonylContact C-O 3.6Å; T162-L167 WeakPolarHBondContact O-CB 3.45Å; T162-L167 PolarHBondContact O-N 2.72Å; T162-L167 VanDerWaalsContact O-O 3.05Å; T162-C169 HydrophobicContact CG2-CB 3.91Å; T162-C169 WeakPolarHBondContact OG1-CB 3.26Å
163K97.4Very high97.3Very high92 Ų9219 Ų1940%0.411%0.11SC..Hα-helixtrans-60.7-46.3173.6-64.2167.6-166.6160.70111L159 D160 A161 A165 G166 Q597 L603L159-K163 WeakPolarHBondContact O-CG 3.44Å; L159-K163 PolarHBondContact O-N 2.85Å; L159-K163 VanDerWaalsContact O-N 3.09Å; D160-K163 PolarHBondContact O-N 3.07Å; D160-K163 IonicContact OD1-NZ 2.68Å; D160-K163 PolarHBondContact OD1-NZ 2.75Å; A161-K163 PolarHBondContact O-N 3.32Å; K163-A165 VanDerWaalsContact C-N 3.29Å; K163-A165 PolarHBondContact O-N 3.25Å; K163-G166 PolarHBondContact O-N 2.74Å; K163-Q597 VanDerWaalsContact NZ-NE2 3.17Å; K163-L603 HydrophobicContact CD-CD1 3.85Å
164V98.2Very high97.4Very high17 Ų1718.9 Ų18.910%0.10311%0.108CC..Hα-helixtrans-64.5-32.8178.8176.60000111.9A121 D160 A161 T162 G166 L603 F606A121-V164 HydrophobicContact CB-CB 3.69Å; A121-V164 HydrophobicContact CB-CG1 3.52Å; D160-V164 WeakPolarHBondContact O-CG2 3.34Å; D160-V164 PolarHBondContact O-N 3.14Å; A161-V164 PolarHBondContact O-N 2.99Å; T162-V164 PolarHBondContact O-N 2.96Å; V164-G166 PolarHBondContact O-N 2.96Å; V164-L603 HydrophobicContact CG2-CD2 4.03Å; V164-F606 HydrophobicContact CB-CB 4.5Å; V164-F606 HydrophobicContact CG1-CB 3.9Å; V164-F606 HydrophobicContact CG2-CB 3.66Å; V164-F606 HydrophobicContact CG2-CD2 4.27Å
165A97.3Very high97.4Very high5 Ų519.4 Ų19.44%0.04111%0.111CC..THydrogen-bonded Turntrans-72.6-5.7173.100000114.1A121 M124 A161 T162 K163 L167A121-A165 HydrophobicContact CB-CB 4.24Å; M124-A165 HydrophobicContact CB-CB 3.68Å; M124-A165 HydrophobicContact SD-CB 4.46Å; A161-A165 WeakPolarHBondContact O-CB 3.16Å; A161-A165 PolarHBondContact O-N 3.39Å; T162-A165 PolarHBondContact O-N 2.76Å; K163-A165 VanDerWaalsContact C-N 3.29Å; K163-A165 PolarHBondContact O-N 3.25Å; A165-L167 HydrophobicContact CB-CD1 4.02Å; A165-L167 HydrophobicContact CB-CG 4.24Å
166G95.4Very high97.4Very high44 Ų4418.8 Ų18.845%0.45411%0.108SC..THydrogen-bonded Turntrans6843.4-172.900000112.3K128 T162 K163 V164K128-G166 PolarHBondContact NZ-O 3.35Å; T162-G166 PolarHBondContact O-N 3.35Å; K163-G166 PolarHBondContact O-N 2.74Å; V164-G166 PolarHBondContact O-N 2.96Å
167L96.4Very high97.4Very high10 Ų1018.4 Ų18.45%0.05211%0.107CC..  trans-127.1142.4179.1-66.8171.5000110.7F8 M124 K128 V139 V142 T162 A165F8-L167 HydrophobicContact CE2-CD1 3.81Å; M124-L167 HydrophobicContact CB-CD1 4.16Å; K128-L167 HydrophobicContact CB-CD2 4.48Å; K128-L167 HydrophobicContact CD-CD2 3.78Å; K128-L167 HydrophobicContact CD-CG 4.31Å; K128-L167 HydrophobicContact CG-CD2 4.18Å; V139-L167 HydrophobicContact CG1-CD2 4.07Å; V142-L167 HydrophobicContact CG1-CD1 4.38Å; V142-L167 HydrophobicContact CG1-CD2 4.01Å; V142-L167 HydrophobicContact CG2-CB 4.07Å; V142-L167 HydrophobicContact CG2-CD1 4.27Å; T162-L167 CarbonylContact C-O 3.6Å; T162-L167 WeakPolarHBondContact O-CB 3.45Å; T162-L167 PolarHBondContact O-N 2.72Å; T162-L167 VanDerWaalsContact O-O 3.05Å; A165-L167 HydrophobicContact CB-CD1 4.02Å; A165-L167 HydrophobicContact CB-CG 4.24Å
168N95.4Very high97.4Very high87 Ų8718.4 Ų18.447%0.46511%0.107SC..EExtended strand (participates in β ladder)trans-92.4108.9168.7-179.938.4000109.3V140 D141 V142 V170V140-N168 HydrophobicContact CG1-CB 4.47Å; V140-N168 PolarHBondContact O-N 2.66Å; D141-N168 WeakPolarHBondContact CA-O 3.43Å; D141-N168 WeakPolarHBondContact OD1-CB 3.42Å; D141-N168 PolarHBondContact OD1-ND2 3.28Å; V142-N168 PolarHBondContact N-O 3.04Å; N168-V170 PolarHBondContact O-N 3.18Å
169C96.8Very high97.4Very high11 Ų1118.2 Ų18.27%0.07411%0.106CC..EExtended strand (participates in β ladder)trans-78.7102174.1-171.80000110.3V142 L159 T162 K171 L172 H505V142-C169 CarbonylContact O-C 3.53Å; V142-C169 WeakPolarHBondContact O-CA 3.5Å; L159-C169 HydrophobicContact CD2-CB 3.7Å; T162-C169 HydrophobicContact CG2-CB 3.91Å; T162-C169 WeakPolarHBondContact OG1-CB 3.26Å; C169-K171 PolarHBondContact SG-O 3.21Å; C169-K171 VanDerWaalsContact SG-O 3.37Å; C169-L172 WeakPolarHBondContact SG-CD2 3.32Å; C169-H505 PolarHBondContact O-CE1 2.74Å
170V95.2Very high97.4Very high46 Ų4617 Ų1728%0.27910%0.1SC..EExtended strand (participates in β ladder)trans-70.7-36.1-178.1-174.40000111.4D141 V142 N168 C385 H505D141-V170 HydrophobicContact CB-CG2 3.68Å; V142-V170 PolarHBondContact O-N 2.96Å; N168-V170 PolarHBondContact O-N 3.18Å; V170-C385 HydrophobicContact CG1-CB 3.5Å; V170-H505 PolarHBondContact O-CE1 3.05Å
171K96.8Very high97.3Very high18 Ų1817 Ų178%0.07810%0.1CC..EExtended strand (participates in β ladder)trans-151141174.8-167.5178.3172-173.40110.6V143 V144 C169 E398 T504V143-K171 WeakPolarHBondContact CA-O 3.48Å; V143-K171 HydrophobicContact CG1-CB 4.44Å; V143-K171 WeakPolarHBondContact CG1-O 3.39Å; V143-K171 HydrophobicContact CG2-CB 3.91Å; V144-K171 PolarHBondContact N-O 3.2Å; C169-K171 PolarHBondContact SG-O 3.21Å; C169-K171 VanDerWaalsContact SG-O 3.37Å; K171-E398 WeakPolarHBondContact CE-OE2 3.44Å; K171-E398 IonicContact NZ-OE2 3.72Å; K171-E398 PolarHBondContact NZ-OE2 3.13Å; K171-T504 WeakPolarHBondContact CE-O 3.45Å
172L98.3Very high97.3Very high1 Ų117 Ų171%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-93.8125.2157.8-65.9-178.1000107.8V144 V146 R155 V158 L159 C169 H505V144-L172 HydrophobicContact CB-CD2 4.01Å; V144-L172 WeakPolarHBondContact O-CA 3.5Å; V146-L172 HydrophobicContact CG1-CB 4.39Å; V146-L172 HydrophobicContact CG1-CD1 4.22Å; V146-L172 HydrophobicContact CG1-CD2 4.19Å; V146-L172 HydrophobicContact CG2-CB 4.49Å; R155-L172 HydrophobicContact CB-CD1 3.9Å; R155-L172 HydrophobicContact CG-CD1 4.26Å; R155-L172 WeakPolarHBondContact O-CD1 3.42Å; V158-L172 HydrophobicContact CB-CD1 4.3Å; V158-L172 HydrophobicContact CB-CD2 4.2Å; V158-L172 HydrophobicContact CG1-CD2 3.57Å; L159-L172 HydrophobicContact CD2-CD1 3.99Å; L159-L172 HydrophobicContact CD2-CD2 4.29Å; L159-L172 HydrophobicContact CD2-CG 3.9Å; L159-L172 HydrophobicContact CG-CD1 3.94Å; L159-L172 HydrophobicContact CG-CG 4.41Å; C169-L172 WeakPolarHBondContact SG-CD2 3.32Å; L172-H505 HydrophobicContact CB-CB 4.07Å; L172-H505 HydrophobicContact CD1-CB 4.3Å; L172-H505 HydrophobicContact CG-CB 4.25Å; L172-H505 PolarHBondContact N-ND1 2.88Å
173V97.7Very high97.2Very high0 Ų017.2 Ų17.20%010%0.1CC..EExtended strand (participates in β ladder)trans-115.9137-178.362.30000110.6V143 V144 N145 V146 T177 A178 C378 Q381V143-V173 HydrophobicContact CG1-CB 4.28Å; V143-V173 HydrophobicContact CG1-CG1 3.64Å; V144-V173 PolarHBondContact O-N 3.01Å; N145-V173 CarbonylContact C-O 3.51Å; N145-V173 VanDerWaalsContact CA-O 3.25Å; N145-V173 WeakPolarHBondContact CA-O 3.42Å; V146-V173 PolarHBondContact N-O 2.94Å; V173-T177 HydrophobicContact CG2-CG2 3.77Å; V173-A178 HydrophobicContact CG1-CB 4.05Å; V173-A178 HydrophobicContact CG2-CB 4.16Å; V173-C378 VanDerWaalsContact CG1-SG 3.52Å; V173-Q381 HydrophobicContact CG2-CG 4.11Å
174N98Very high97.2Very high7 Ų713.2 Ų13.24%0.0379%0.086CC..EExtended strand (participates in β ladder)trans-66.9143.1173.8-64.1-57.7000110.7V146 T148 R155 I176 T177 A178 E398V146-N174 CarbonylContact O-C 3.27Å; V146-N174 WeakPolarHBondContact O-CA 3.28Å; T148-N174 HydrophobicContact CG2-CB 4.07Å; R155-N174 PolarHBondContact NH1-OD1 3.46Å; R155-N174 PolarHBondContact NH2-OD1 3.01Å; N174-I176 VanDerWaalsContact C-N 3.28Å; N174-I176 PolarHBondContact O-N 3.41Å; N174-T177 CarbonylContact O-C 3.51Å; N174-T177 WeakPolarHBondContact O-CA 3.07Å; N174-T177 WeakPolarHBondContact O-CB 3.33Å; N174-T177 PolarHBondContact O-N 3.44Å; N174-A178 PolarHBondContact O-N 2.9Å; N174-E398 PolarHBondContact ND2-OE1 3.47Å
175D97.5Very high97Very high14 Ų1414.7 Ų14.78%0.0759%0.091CC..Hα-helixtrans-49.4-47.5179.8-67.8-22000112.8N145 V146 P147 T177 A178 I179 Q211N145-D175 WeakPolarHBondContact CB-OD1 3.46Å; N145-D175 PolarHBondContact ND2-OD1 3.35Å; V146-D175 PolarHBondContact O-N 3.34Å; P147-D175 WeakPolarHBondContact CA-OD2 3.26Å; D175-T177 VanDerWaalsContact C-N 3.34Å; D175-T177 PolarHBondContact O-N 3.21Å; D175-A178 PolarHBondContact O-N 3Å; D175-I179 WeakPolarHBondContact O-CD1 3.47Å; D175-I179 WeakPolarHBondContact O-CG1 3.17Å; D175-I179 PolarHBondContact O-N 2.84Å; D175-Q211 PolarHBondContact OD2-NE2 3.09Å
176I97.8Very high96.8Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-59.7-42.7176.9-67.5-56.3000111.7N174 I179 G180 F202 Q211 V224 T227N174-I176 VanDerWaalsContact C-N 3.28Å; N174-I176 PolarHBondContact O-N 3.41Å; I176-I179 PolarHBondContact O-N 3.46Å; I176-G180 PolarHBondContact O-N 3.5Å; I176-F202 HydrophobicContact CD1-CB 4.21Å; I176-Q211 HydrophobicContact CD1-CB 4.05Å; I176-Q211 HydrophobicContact CG1-CB 4.21Å; I176-V224 HydrophobicContact CG2-CG1 4.32Å; I176-T227 HydrophobicContact CG1-CG2 3.91Å
177T98Very high96.6Very high3 Ų318.7 Ų18.72%0.01810%0.095CC..Hα-helixtrans-66.7-38.7177.7-54.40000111.4V173 N174 D175 T181 M222 V396 E398V173-T177 HydrophobicContact CG2-CG2 3.77Å; N174-T177 CarbonylContact O-C 3.51Å; N174-T177 WeakPolarHBondContact O-CA 3.07Å; N174-T177 WeakPolarHBondContact O-CB 3.33Å; N174-T177 PolarHBondContact O-N 3.44Å; D175-T177 VanDerWaalsContact C-N 3.34Å; D175-T177 PolarHBondContact O-N 3.21Å; T177-T181 WeakPolarHBondContact O-CB 3.39Å; T177-T181 PolarHBondContact O-N 3.09Å; T177-T181 PolarHBondContact O-OG1 2.98Å; T177-M222 HydrophobicContact CG2-CE 3.78Å; T177-V396 HydrophobicContact CG2-CG1 3.47Å; T177-V396 VanDerWaalsContact CG2-CG1 3.47Å; T177-E398 WeakPolarHBondContact CB-OE1 3.48Å; T177-E398 HydrophobicContact CG2-CG 3.68Å; T177-E398 WeakPolarHBondContact CG2-OE1 3Å; T177-E398 VanDerWaalsContact OG1-CD 3.29Å; T177-E398 PolarHBondContact OG1-OE1 3.45Å
178A98.2Very high96.3Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-63.8-51.4175.300000110.7V173 N174 D175 G180 T181 A182 V374 G377V173-A178 HydrophobicContact CG1-CB 4.05Å; V173-A178 HydrophobicContact CG2-CB 4.16Å; N174-A178 PolarHBondContact O-N 2.9Å; D175-A178 PolarHBondContact O-N 3Å; A178-G180 VanDerWaalsContact C-N 3.34Å; A178-G180 PolarHBondContact O-N 2.84Å; A178-T181 WeakPolarHBondContact O-CB 3.38Å; A178-T181 PolarHBondContact O-N 3.15Å; A178-T181 VanDerWaalsContact O-N 3.11Å; A178-A182 PolarHBondContact O-N 3.33Å; A178-V374 HydrophobicContact CB-CG1 4.17Å; A178-G377 WeakPolarHBondContact O-CA 3.45Å
179I98.3Very high96.2Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-54.5-49.6176.2-67.5160.4000110.9D175 I176 T181 A182 Y183 F202 I343 L368 A373 V374D175-I179 WeakPolarHBondContact O-CD1 3.47Å; D175-I179 WeakPolarHBondContact O-CG1 3.17Å; D175-I179 PolarHBondContact O-N 2.84Å; I176-I179 PolarHBondContact O-N 3.46Å; I179-T181 VanDerWaalsContact C-N 3.33Å; I179-T181 PolarHBondContact O-N 2.99Å; I179-A182 WeakPolarHBondContact O-CB 3.45Å; I179-A182 PolarHBondContact O-N 3.43Å; I179-Y183 PolarHBondContact O-N 3.38Å; I179-F202 HydrophobicContact CG2-CB 4.16Å; I179-F202 HydrophobicContact CG2-CD1 3.35Å; I179-F202 HydrophobicContact CG2-CE1 3.83Å; I179-F202 HydrophobicContact CG2-CG 3.76Å; I179-I343 HydrophobicContact CD1-CB 4.14Å; I179-I343 HydrophobicContact CD1-CG1 4.2Å; I179-I343 HydrophobicContact CD1-CG2 3.68Å; I179-I343 HydrophobicContact CG1-CG1 4.47Å; I179-I343 HydrophobicContact CG1-CG2 4.05Å; I179-I343 HydrophobicContact CG2-CD1 4.12Å; I179-I343 HydrophobicContact CG2-CG1 3.83Å; I179-L368 HydrophobicContact CG2-CD1 3.98Å; I179-A373 HydrophobicContact CG1-CB 4.2Å; I179-V374 HydrophobicContact CD1-CG2 3.96Å; I179-V374 HydrophobicContact CG1-CG2 3.75Å
180G97.8Very high96.1Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-65.5-34.1178.900000113.1I176 A178 Y183 G184 F217 M222I176-G180 PolarHBondContact O-N 3.5Å; A178-G180 VanDerWaalsContact C-N 3.34Å; A178-G180 PolarHBondContact O-N 2.84Å; G180-Y183 WeakPolarHBondContact O-CB 3.44Å; G180-Y183 PolarHBondContact O-N 2.9Å; G180-G184 PolarHBondContact O-N 2.93Å; G180-F217 VanDerWaalsContact O-CE1 3.24Å; G180-F217 WeakPolarHBondContact O-CE1 3.48Å; G180-F217 WeakPolarHBondContact O-CZ 3.47Å; G180-M222 WeakPolarHBondContact CA-SD 3.42Å
181T97.1Very high96.2Very high0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-62.5-47.3171.3-55.70000110.4T177 A178 I179 Y183 G184 F185 F380 Q381 I384 F394T177-T181 WeakPolarHBondContact O-CB 3.39Å; T177-T181 PolarHBondContact O-N 3.09Å; T177-T181 PolarHBondContact O-OG1 2.98Å; A178-T181 WeakPolarHBondContact O-CB 3.38Å; A178-T181 PolarHBondContact O-N 3.15Å; A178-T181 VanDerWaalsContact O-N 3.11Å; I179-T181 VanDerWaalsContact C-N 3.33Å; I179-T181 PolarHBondContact O-N 2.99Å; T181-Y183 VanDerWaalsContact C-N 3.34Å; T181-Y183 PolarHBondContact O-N 3.2Å; T181-G184 PolarHBondContact O-N 3.45Å; T181-F185 HydrophobicContact CG2-CD2 3.9Å; T181-F185 HydrophobicContact CG2-CE2 3.99Å; T181-F185 WeakPolarHBondContact O-CD2 3.41Å; T181-F185 PolarHBondContact O-N 2.87Å; T181-F185 VanDerWaalsContact O-N 3.09Å; T181-F380 HydrophobicContact CG2-CB 3.76Å; T181-Q381 HydrophobicContact CG2-CG 4.22Å; T181-Q381 PolarHBondContact OG1-NE2 3.11Å; T181-I384 HydrophobicContact CG2-CD1 4.38Å; T181-F394 HydrophobicContact CG2-CD1 4.38Å; T181-F394 HydrophobicContact CG2-CE1 4.3Å
182A96.8Very high96.2Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-58.9-45175.900000111.6A178 I179 G184 F185 Y186 R376A178-A182 PolarHBondContact O-N 3.33Å; I179-A182 WeakPolarHBondContact O-CB 3.45Å; I179-A182 PolarHBondContact O-N 3.43Å; A182-G184 PolarHBondContact O-N 3.11Å; A182-F185 PolarHBondContact O-N 2.98Å; A182-Y186 HydrophobicContact CB-CD2 4.29Å; A182-Y186 HydrophobicContact CB-CE2 4.18Å; A182-Y186 WeakPolarHBondContact O-CD2 3.43Å; A182-Y186 PolarHBondContact O-N 3.2Å; A182-R376 HydrophobicContact CB-CB 4.36Å
183Y97.6Very high95.9Very high6 Ų630.1 Ų30.12%0.02418%0.175CC..Hα-helixtrans-54.9-49.8173.8-171.4-92.3000112.1I179 G180 T181 F185 Y186 N187 L190 V200 F202 F217 E341 L368I179-Y183 PolarHBondContact O-N 3.38Å; G180-Y183 WeakPolarHBondContact O-CB 3.44Å; G180-Y183 PolarHBondContact O-N 2.9Å; T181-Y183 VanDerWaalsContact C-N 3.34Å; T181-Y183 PolarHBondContact O-N 3.2Å; Y183-F185 VanDerWaalsContact C-N 3.29Å; Y183-F185 PolarHBondContact O-N 3.05Å; Y183-Y186 PolarHBondContact O-N 2.83Å; Y183-N187 HydrophobicContact CE1-CB 4.25Å; Y183-N187 VanDerWaalsContact O-CB 3.26Å; Y183-N187 WeakPolarHBondContact O-CB 3.46Å; Y183-N187 PolarHBondContact O-N 3.33Å; Y183-N187 PolarHBondContact OH-ND2 3.49Å; Y183-L190 HydrophobicContact CE1-CD2 4.14Å; Y183-V200 HydrophobicContact CE1-CG2 3.76Å; Y183-V200 HydrophobicContact CE2-CG1 4.3Å; Y183-F202 HydrophobicContact CD1-CZ 4.25Å; Y183-F202 AromaticContact CD2-CE1 3.94Å; Y183-F202 HydrophobicContact CD2-CE1 3.94Å; Y183-F202 HydrophobicContact CD2-CZ 4.19Å; Y183-F202 AromaticContact CG-CE1 3.97Å; Y183-F202 HydrophobicContact CG-CE1 3.97Å; Y183-F202 AromaticContact CG-CZ 3.78Å; Y183-F202 HydrophobicContact CG-CZ 3.78Å; Y183-F217 HydrophobicContact CD1-CD1 4.31Å; Y183-F217 HydrophobicContact CD1-CD2 4.18Å; Y183-F217 AromaticContact CD1-CE1 4Å; Y183-F217 HydrophobicContact CD1-CE1 4Å; Y183-F217 AromaticContact CD1-CE2 3.85Å; Y183-F217 HydrophobicContact CD1-CE2 3.85Å; Y183-F217 HydrophobicContact CD1-CG 4.39Å; Y183-F217 AromaticContact CD1-CZ 3.76Å; Y183-F217 HydrophobicContact CD1-CZ 3.76Å; Y183-F217 HydrophobicContact CE1-CD2 4.3Å; Y183-F217 HydrophobicContact CE1-CE2 4.32Å; Y183-F217 HydrophobicContact CG-CZ 4.35Å; Y183-E341 HydrophobicContact CD2-CG 4.13Å; Y183-E341 HydrophobicContact CE2-CG 3.93Å; Y183-L368 HydrophobicContact CD2-CD1 4.26Å; Y183-L368 HydrophobicContact CD2-CG 4.38Å
184G96.3Very high95.7Very high9 Ų936.9 Ų36.99%0.09321%0.211CC..Hα-helixtrans-67.9-23.3-176.400000115.1G180 T181 A182G180-G184 PolarHBondContact O-N 2.93Å; T181-G184 PolarHBondContact O-N 3.45Å; A182-G184 PolarHBondContact O-N 3.11Å
185F93.6Very high95.6Very high47 Ų4741.8 Ų41.821%0.20623%0.234CC..Hα-helixtrans-87.6-37.8173.4-89.5-87.5000113.5T181 A182 Y183 F380 I384 V391 F394T181-F185 HydrophobicContact CG2-CD2 3.9Å; T181-F185 HydrophobicContact CG2-CE2 3.99Å; T181-F185 WeakPolarHBondContact O-CD2 3.41Å; T181-F185 PolarHBondContact O-N 2.87Å; T181-F185 VanDerWaalsContact O-N 3.09Å; A182-F185 PolarHBondContact O-N 2.98Å; Y183-F185 VanDerWaalsContact C-N 3.29Å; Y183-F185 PolarHBondContact O-N 3.05Å; F185-F380 HydrophobicContact CB-CD1 4.15Å; F185-F380 HydrophobicContact CB-CD2 4.07Å; F185-F380 HydrophobicContact CB-CE1 3.86Å; F185-F380 HydrophobicContact CB-CE2 3.76Å; F185-F380 HydrophobicContact CB-CG 4.26Å; F185-F380 HydrophobicContact CB-CZ 3.66Å; F185-F380 AromaticContact CD1-CD1 3.87Å; F185-F380 HydrophobicContact CD1-CD1 3.87Å; F185-F380 AromaticContact CD1-CE1 3.83Å; F185-F380 HydrophobicContact CD1-CE1 3.83Å; F185-F380 HydrophobicContact CD1-CZ 4.48Å; F185-F380 HydrophobicContact CD2-CB 4.11Å; F185-F380 HydrophobicContact CD2-CD1 4.04Å; F185-F380 HydrophobicContact CD2-CD2 4.37Å; F185-F380 AromaticContact CD2-CG 3.95Å; F185-F380 HydrophobicContact CD2-CG 3.95Å; F185-F380 HydrophobicContact CE1-CD1 4.27Å; F185-F380 HydrophobicContact CE2-CB 4.26Å; F185-F380 HydrophobicContact CE2-CD1 4.42Å; F185-F380 HydrophobicContact CE2-CG 4.45Å; F185-F380 AromaticContact CG-CD1 3.74Å; F185-F380 HydrophobicContact CG-CD1 3.74Å; F185-F380 HydrophobicContact CG-CD2 4.31Å; F185-F380 AromaticContact CG-CE1 3.83Å; F185-F380 HydrophobicContact CG-CE1 3.83Å; F185-F380 HydrophobicContact CG-CE2 4.37Å; F185-F380 HydrophobicContact CG-CG 4Å; F185-F380 HydrophobicContact CG-CZ 4.16Å; F185-I384 HydrophobicContact CE2-CD1 4.01Å; F185-I384 HydrophobicContact CZ-CD1 4.32Å; F185-I384 HydrophobicContact CZ-CG1 4.34Å; F185-V391 HydrophobicContact CE1-CB 4.49Å; F185-F394 HydrophobicContact CD2-CD1 4.28Å; F185-F394 HydrophobicContact CD2-CD2 4.27Å; F185-F394 HydrophobicContact CD2-CG 4.11Å; F185-F394 HydrophobicContact CE2-CB 3.53Å; F185-F394 AromaticContact CE2-CD1 3.69Å; F185-F394 HydrophobicContact CE2-CD1 3.69Å; F185-F394 AromaticContact CE2-CD2 3.96Å; F185-F394 HydrophobicContact CE2-CD2 3.96Å; F185-F394 HydrophobicContact CE2-CE1 4.42Å; F185-F394 AromaticContact CE2-CG 3.43Å; F185-F394 HydrophobicContact CE2-CG 3.43Å; F185-F394 VanDerWaalsContact CE2-CG 3.43Å; F185-F394 HydrophobicContact CZ-CB 3.51Å; F185-F394 HydrophobicContact CZ-CD2 4.4Å; F185-F394 AromaticContact CZ-CG 3.92Å; F185-F394 HydrophobicContact CZ-CG 3.92Å
186Y93.3Very high95.5Very high94 Ų9449.3 Ų49.337%0.36927%0.269SS..Hα-helixtrans-78.9-30.1-179.6-71-56.3000113.1A182 Y183 L368 R376 F380A182-Y186 HydrophobicContact CB-CD2 4.29Å; A182-Y186 HydrophobicContact CB-CE2 4.18Å; A182-Y186 WeakPolarHBondContact O-CD2 3.43Å; A182-Y186 PolarHBondContact O-N 3.2Å; Y183-Y186 PolarHBondContact O-N 2.83Å; Y186-L368 HydrophobicContact CD2-CD2 4Å; Y186-R376 HydrophobicContact CE2-CB 4.32Å; Y186-R376 PolarHBondContact OH-NH1 3.36Å; Y186-F380 HydrophobicContact CD2-CE2 4.33Å; Y186-F380 HydrophobicContact CE1-CE2 4.25Å; Y186-F380 HydrophobicContact CE1-CZ 4.08Å; Y186-F380 AromaticContact CE2-CE2 3.68Å; Y186-F380 HydrophobicContact CE2-CE2 3.68Å; Y186-F380 HydrophobicContact CE2-CZ 4.33Å; Y186-F380 AromaticContact CZ-CE2 3.61Å; Y186-F380 AromaticContact CZ-CZ 3.85Å
187N92.9Very high95.5Very high39 Ų3950.8 Ų50.821%0.20928%0.278CS..  trans-89.3120.8-176.9-166.94.5000112.2Y183 D189 L190Y183-N187 HydrophobicContact CE1-CB 4.25Å; Y183-N187 VanDerWaalsContact O-CB 3.26Å; Y183-N187 WeakPolarHBondContact O-CB 3.46Å; Y183-N187 PolarHBondContact O-N 3.33Å; Y183-N187 PolarHBondContact OH-ND2 3.49Å; N187-D189 PolarHBondContact ND2-OD1 2.83Å; N187-D189 PolarHBondContact OD1-N 3.34Å; N187-D189 PolarHBondContact OD1-OD1 3.06Å; N187-L190 HydrophobicContact CB-CD2 4.39Å
188T89.1Confident95.5Very high137 Ų13751.9 Ų51.984%0.8428%0.283SS*.  trans-93.9-6-17854.50000114L190T188-L190 PolarHBondContact O-N 2.96Å
189D92.6Very high95.5Very high97 Ų9752.6 Ų52.652%0.51929%0.287SS..  trans-9216.8-175.385.7-12.8000114.9N187 K198N187-D189 PolarHBondContact ND2-OD1 2.83Å; N187-D189 PolarHBondContact OD1-N 3.34Å; N187-D189 PolarHBondContact OD1-OD1 3.06Å; D189-K198 IonicContact OD1-NZ 3.85Å; D189-K198 PolarHBondContact OD1-NZ 2.94Å; D189-K198 IonicContact OD2-NZ 3.91Å; D189-K198 PolarHBondContact OD2-NZ 2.93Å
190L96.4Very high95.6Very high13 Ų1352.6 Ų52.67%0.06829%0.287CS..PPolyproline II helixtrans-74.7135.2-171.2-59.6-178.8000112.6Y183 N187 T188 K198 F217 T219Y183-L190 HydrophobicContact CE1-CD2 4.14Å; N187-L190 HydrophobicContact CB-CD2 4.39Å; T188-L190 PolarHBondContact O-N 2.96Å; L190-K198 HydrophobicContact CD2-CD 4.21Å; L190-F217 HydrophobicContact CD1-CB 4.35Å; L190-F217 HydrophobicContact CD1-CD1 4.38Å; L190-F217 HydrophobicContact CD2-CB 3.93Å; L190-F217 HydrophobicContact CD2-CG 4.47Å; L190-T219 PolarHBondContact O-OG1 3.16Å
191P97.1Very high95.6Very high26 Ų2652.6 Ų52.617%0.16929%0.287CS..PPolyproline II helixtrans-55.9142.7177.9-25.634.1000112.6Q195 Q196 K198 N218 T219P191-Q195 HydrophobicContact CB-CB 4.04Å; P191-Q196 WeakPolarHBondContact CB-O 3.4Å; P191-K198 HydrophobicContact CG-CB 4.07Å; P191-N218 CarbonylContact O-C 3.54Å; P191-N218 WeakPolarHBondContact O-CA 3.49Å; P191-N218 WeakPolarHBondContact O-CB 3.43Å; P191-T219 PolarHBondContact O-N 2.88Å
192P95.7Very high95.7Very high59 Ų5952.6 Ų52.638%0.38329%0.287SS..PPolyproline II helixtrans-59166.4169.5-24.736.3000112.7D194 Q195 N218P192-D194 VanDerWaalsContact C-N 3.28Å; P192-D194 VanDerWaalsContact CB-OD1 3.32Å; P192-D194 WeakPolarHBondContact CB-OD1 3.33Å; P192-D194 PolarHBondContact O-N 3.38Å; P192-Q195 PolarHBondContact O-N 3.23Å; P192-Q195 VanDerWaalsContact O-N 3.16Å; P192-N218 PolarHBondContact O-ND2 3.49Å
193A91.8Very high95.8Very high81 Ų8152.6 Ų52.667%0.66929%0.287SS*.THydrogen-bonded Turntrans-71.7-15.8-169.600000115.3
194D93.2Very high95.8Very high142 Ų14252.8 Ų52.876%0.75929%0.289SS*.THydrogen-bonded Turntrans-87.8-10.4174.263.4-35.5000113.1P192P192-D194 VanDerWaalsContact C-N 3.28Å; P192-D194 VanDerWaalsContact CB-OD1 3.32Å; P192-D194 WeakPolarHBondContact CB-OD1 3.33Å; P192-D194 PolarHBondContact O-N 3.38Å
195Q96.2Very high95.9Very high111 Ų11152.4 Ų52.452%0.51928%0.284SS..SBendtrans-98.5161.4179.1-62.9-173.39.300112.4P191 P192 N218P191-Q195 HydrophobicContact CB-CB 4.04Å; P192-Q195 PolarHBondContact O-N 3.23Å; P192-Q195 VanDerWaalsContact O-N 3.16Å; Q195-N218 PolarHBondContact O-ND2 2.89Å
196Q96.5Very high96Very high172 Ų17251.4 Ų51.480%0.80429%0.287SS*.PPolyproline II helixtrans-58.1133173.8-71.3-64.6-19.200110.1P191P191-Q196 WeakPolarHBondContact CB-O 3.4Å
197P97.7Very high96.2Very high30 Ų3049.9 Ų49.920%0.19528%0.281CS..PPolyproline II helixtrans-72.8146.8-175.129.9-35.2000111.7I199 F217P197-I199 HydrophobicContact CG-CD1 4.12Å; P197-I199 PolarHBondContact O-N 2.88Å; P197-F217 CarbonylContact C-O 3.59Å; P197-F217 VanDerWaalsContact CA-O 3.24Å; P197-F217 WeakPolarHBondContact CA-O 3.13Å; P197-F217 WeakPolarHBondContact CB-O 3.43Å
198K98.1Very high96.4Very high26 Ų2648.2 Ų48.211%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-71.2120.2170.8-175.4168.5178.7167.40109D189 L190 P191 V200 F217 H338D189-K198 IonicContact OD1-NZ 3.85Å; D189-K198 PolarHBondContact OD1-NZ 2.94Å; D189-K198 IonicContact OD2-NZ 3.91Å; D189-K198 PolarHBondContact OD2-NZ 2.93Å; L190-K198 HydrophobicContact CD2-CD 4.21Å; P191-K198 HydrophobicContact CG-CB 4.07Å; K198-V200 HydrophobicContact CG-CG2 4.18Å; K198-F217 PolarHBondContact N-O 2.64Å; K198-F217 PolarHBondContact O-N 2.81Å; K198-H338 HydrophobicContact CG-CB 4.17Å
199I98.5Very high96.7Very high16 Ų1642.1 Ų42.18%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-93.2123.2-179.6-53-54.6000109.9P197 I214 C215 L225 L332 D336 V337 H338P197-I199 HydrophobicContact CG-CD1 4.12Å; P197-I199 PolarHBondContact O-N 2.88Å; I199-I214 HydrophobicContact CG2-CG2 3.61Å; I199-C215 WeakPolarHBondContact CA-O 3.36Å; I199-L225 HydrophobicContact CD1-CD1 4.08Å; I199-L332 HydrophobicContact CG2-CD1 3.8Å; I199-D336 WeakPolarHBondContact CB-O 3.49Å; I199-V337 HydrophobicContact CG2-CG2 4.38Å; I199-H338 PolarHBondContact N-ND1 3.44Å; I199-H338 WeakPolarHBondContact O-CB 3.34Å; I199-H338 PolarHBondContact O-N 2.98Å
200V98.7Very high97Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-127.4131.3-177.3-176.10000109.9Y183 K198 F202 C215 F217 S339 E341Y183-V200 HydrophobicContact CE1-CG2 3.76Å; Y183-V200 HydrophobicContact CE2-CG1 4.3Å; K198-V200 HydrophobicContact CG-CG2 4.18Å; V200-F202 HydrophobicContact CB-CE2 4.39Å; V200-F202 HydrophobicContact CB-CZ 4.18Å; V200-F202 HydrophobicContact CG1-CD1 4.4Å; V200-F202 HydrophobicContact CG1-CE1 3.8Å; V200-F202 HydrophobicContact CG1-CE2 4.16Å; V200-F202 HydrophobicContact CG1-CZ 3.66Å; V200-C215 PolarHBondContact N-O 3.2Å; V200-C215 PolarHBondContact O-N 3.01Å; V200-F217 HydrophobicContact CB-CD2 4.2Å; V200-F217 HydrophobicContact CB-CE2 3.97Å; V200-F217 HydrophobicContact CG2-CD2 3.92Å; V200-F217 HydrophobicContact CG2-CE2 4.12Å; V200-S339 WeakPolarHBondContact CA-O 3.42Å; V200-E341 HydrophobicContact CG1-CG 4.21Å
201A98.8Very high97.1Very high0 Ų037.1 Ų37.10%021%0.209CC..EExtended strand (participates in β ladder)trans-95.8137.7170.300000110.2G213 I214 V337 S339 V340 E341 F360A201-G213 CarbonylContact C-O 3.56Å; A201-G213 WeakPolarHBondContact CA-O 3.48Å; A201-I214 HydrophobicContact CB-CG1 4.06Å; A201-V337 HydrophobicContact CB-CG1 3.87Å; A201-S339 PolarHBondContact N-O 2.92Å; A201-V340 HydrophobicContact CB-CG1 4.18Å; A201-V340 HydrophobicContact CB-CG2 4.23Å; A201-V340 CarbonylContact O-C 3.35Å; A201-V340 VanDerWaalsContact O-CA 3.31Å; A201-V340 WeakPolarHBondContact O-CA 3.4Å; A201-E341 PolarHBondContact O-N 2.84Å; A201-F360 HydrophobicContact CB-CD1 4.31Å; A201-F360 HydrophobicContact CB-CE1 3.72Å; A201-F360 HydrophobicContact CB-CZ 4.01Å
202F98.7Very high97.1Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-114.8118.3174.9-61.1-72.2000108.6I176 I179 Y183 V200 V212 G213 C215 F217 E341 L368I176-F202 HydrophobicContact CD1-CB 4.21Å; I179-F202 HydrophobicContact CG2-CB 4.16Å; I179-F202 HydrophobicContact CG2-CD1 3.35Å; I179-F202 HydrophobicContact CG2-CE1 3.83Å; I179-F202 HydrophobicContact CG2-CG 3.76Å; Y183-F202 HydrophobicContact CD1-CZ 4.25Å; Y183-F202 AromaticContact CD2-CE1 3.94Å; Y183-F202 HydrophobicContact CD2-CE1 3.94Å; Y183-F202 HydrophobicContact CD2-CZ 4.19Å; Y183-F202 AromaticContact CG-CE1 3.97Å; Y183-F202 HydrophobicContact CG-CE1 3.97Å; Y183-F202 AromaticContact CG-CZ 3.78Å; Y183-F202 HydrophobicContact CG-CZ 3.78Å; V200-F202 HydrophobicContact CB-CE2 4.39Å; V200-F202 HydrophobicContact CB-CZ 4.18Å; V200-F202 HydrophobicContact CG1-CD1 4.4Å; V200-F202 HydrophobicContact CG1-CE1 3.8Å; V200-F202 HydrophobicContact CG1-CE2 4.16Å; V200-F202 HydrophobicContact CG1-CZ 3.66Å; F202-V212 VanDerWaalsContact O-CA 3.32Å; F202-V212 WeakPolarHBondContact O-CA 3.33Å; F202-G213 PolarHBondContact N-O 3.47Å; F202-G213 PolarHBondContact O-N 3.02Å; F202-C215 HydrophobicContact CE2-CB 3.95Å; F202-F217 AromaticContact CE2-CE2 3.82Å; F202-F217 HydrophobicContact CE2-CE2 3.82Å; F202-F217 AromaticContact CE2-CZ 3.88Å; F202-F217 HydrophobicContact CE2-CZ 3.88Å; F202-F217 AromaticContact CZ-CE2 3.82Å; F202-F217 HydrophobicContact CZ-CE2 3.82Å; F202-F217 AromaticContact CZ-CZ 3.8Å; F202-F217 HydrophobicContact CZ-CZ 3.8Å; F202-E341 HydrophobicContact CD1-CB 3.78Å; F202-E341 HydrophobicContact CD1-CG 4.37Å; F202-E341 HydrophobicContact CE1-CB 4.05Å; F202-E341 HydrophobicContact CE1-CG 4.13Å; F202-L368 HydrophobicContact CE1-CD1 4.35Å
203V98.6Very high97.3Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-106.399.6176.9176.10000107.8I205 V212 F323 V340 E341 L342 I343 V356 F360V203-I205 HydrophobicContact CG1-CD1 3.95Å; V203-I205 HydrophobicContact CG1-CG1 3.91Å; V203-V212 HydrophobicContact CG2-CG1 4.23Å; V203-V212 HydrophobicContact CG2-CG2 4.39Å; V203-F323 HydrophobicContact CG1-CE1 3.97Å; V203-F323 HydrophobicContact CG1-CE2 3.96Å; V203-F323 HydrophobicContact CG1-CZ 3.46Å; V203-F323 VanDerWaalsContact CG1-CZ 3.46Å; V203-F323 HydrophobicContact CG2-CE2 4.5Å; V203-V340 HydrophobicContact CG2-CG1 3.74Å; V203-E341 PolarHBondContact N-O 2.88Å; V203-L342 HydrophobicContact CB-CD2 4.25Å; V203-I343 PolarHBondContact O-N 3.02Å; V203-V356 HydrophobicContact CG1-CG2 4.34Å; V203-V356 HydrophobicContact CG2-CG2 4.27Å; V203-F360 HydrophobicContact CG2-CE2 4.13Å
204S98.4Very high97.6Very high10 Ų1029.2 Ų29.27%0.0715%0.15CC..EExtended strand (participates in β ladder)trans-102.2114.4-178.6-175.60000110.9T210 Q211 I343S204-T210 WeakPolarHBondContact O-CA 3.45Å; S204-Q211 PolarHBondContact N-O 2.97Å; S204-Q211 PolarHBondContact O-N 3.47Å; S204-I343 WeakPolarHBondContact CA-O 3.47Å
205I98.3Very high97.9Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-123.495.9-177.9-37.6-168.4000110.4V203 T210 F319 F323 I343 G344 G345 S346 I352V203-I205 HydrophobicContact CG1-CD1 3.95Å; V203-I205 HydrophobicContact CG1-CG1 3.91Å; I205-T210 HydrophobicContact CG1-CG2 4.23Å; I205-T210 HydrophobicContact CG2-CG2 4.48Å; I205-F319 HydrophobicContact CD1-CD1 4.01Å; I205-F319 HydrophobicContact CD1-CE1 3.72Å; I205-F319 HydrophobicContact CG1-CE1 4.47Å; I205-F319 HydrophobicContact CG2-CE1 3.8Å; I205-F319 HydrophobicContact CG2-CZ 4.14Å; I205-F323 HydrophobicContact CD1-CZ 4.19Å; I205-I343 PolarHBondContact N-O 3.4Å; I205-G344 CarbonylContact O-C 3.57Å; I205-G344 VanDerWaalsContact O-C 3.27Å; I205-G345 PolarHBondContact O-N 3.29Å; I205-S346 WeakPolarHBondContact O-CB 3.47Å; I205-S346 PolarHBondContact O-N 2.76Å; I205-I352 HydrophobicContact CD1-CB 4.4Å; I205-I352 HydrophobicContact CD1-CD1 4.06Å; I205-I352 HydrophobicContact CD1-CG1 4.19Å; I205-I352 HydrophobicContact CD1-CG2 3.37Å
206G96.6Very high98Very high26 Ų2617.8 Ų17.827%0.2689%0.094SC..  trans-82.9-160.5179.300000113.5T209 G235 S346G206-T209 PolarHBondContact N-O 2.78Å; G206-G235 PolarHBondContact O-N 3Å; G206-S346 PolarHBondContact O-OG 2.86Å
207Y97.2Very high98Very high62 Ų629.6 Ų9.624%0.2436%0.056CC..SBendtrans-71.3-43.9175.7173.5-112000112.9L13 G234 G235 R236L13-Y207 HydrophobicContact CB-CD1 3.91Å; L13-Y207 HydrophobicContact CB-CD2 4.35Å; L13-Y207 HydrophobicContact CB-CG 3.73Å; L13-Y207 HydrophobicContact CD1-CD2 4.45Å; L13-Y207 HydrophobicContact CD1-CE2 4.45Å; L13-Y207 HydrophobicContact CD2-CD2 3.8Å; L13-Y207 HydrophobicContact CD2-CE2 4.42Å; L13-Y207 HydrophobicContact CD2-CG 4.01Å; L13-Y207 HydrophobicContact CG-CD2 4.43Å; L13-Y207 HydrophobicContact CG-CG 4.3Å; Y207-G234 CarbonylContact O-C 3.55Å; Y207-G235 PolarHBondContact O-N 3.09Å; Y207-R236 HydrophobicContact CD2-CB 3.99Å; Y207-R236 HydrophobicContact CE1-CB 4.15Å; Y207-R236 HydrophobicContact CE2-CB 3.53Å; Y207-R236 HydrophobicContact CG-CB 4.48Å; Y207-R236 WeakPolarHBondContact O-CB 3.25Å; Y207-R236 WeakPolarHBondContact O-CG 3.5Å; Y207-R236 PolarHBondContact O-N 3.06Å
208S96.3Very high98Very high4 Ų48.9 Ų8.93%0.0285%0.051CC..SBendtrans-114.8-13.2-170.163.10000115S12S12-S208 WeakPolarHBondContact CB-OG 3.39Å; S12-S208 PolarHBondContact OG-OG 3.11Å
209T96.6Very high97.9Very high9 Ų911.8 Ų11.86%0.0557%0.071CC..  trans-149.2143.7-159.9-59.60000110.5R71 Y149 G206 Q211 L233R71-T209 PolarHBondContact NH1-OG1 3.02Å; Y149-T209 HydrophobicContact CD1-CG2 3.95Å; Y149-T209 HydrophobicContact CE1-CG2 3.82Å; G206-T209 PolarHBondContact N-O 2.78Å; T209-Q211 HydrophobicContact CG2-CG 4.11Å; T209-L233 CarbonylContact C-O 3.44Å; T209-L233 WeakPolarHBondContact CA-O 3.48Å; T209-L233 PolarHBondContact N-O 3.45Å
210T98.2Very high97.7Very high0 Ų012.4 Ų12.40%08%0.08CC..EExtended strand (participates in β ladder)trans-123131.3177.9-59.10000109.4S204 I205 C229 D230 L233 F319 L322 F323S204-T210 WeakPolarHBondContact O-CA 3.45Å; I205-T210 HydrophobicContact CG1-CG2 4.23Å; I205-T210 HydrophobicContact CG2-CG2 4.48Å; T210-C229 CarbonylContact O-C 3.58Å; T210-C229 WeakPolarHBondContact O-CA 3.35Å; T210-C229 PolarHBondContact O-SG 3.28Å; T210-C229 VanDerWaalsContact O-SG 3.33Å; T210-D230 PolarHBondContact N-O 3.27Å; T210-D230 PolarHBondContact O-N 3Å; T210-L233 WeakPolarHBondContact CB-O 3.48Å; T210-L233 PolarHBondContact N-O 2.93Å; T210-L233 PolarHBondContact OG1-O 3.43Å; T210-F319 HydrophobicContact CG2-CD1 3.81Å; T210-F319 HydrophobicContact CG2-CE1 3.59Å; T210-F319 VanDerWaalsContact OG1-CE1 3.26Å; T210-F319 WeakPolarHBondContact OG1-CE1 3.38Å; T210-L322 HydrophobicContact CG2-CD2 3.53Å; T210-F323 HydrophobicContact CG2-CE1 4.16Å
211Q97.9Very high97.6Very high5 Ų516.8 Ų16.82%0.02310%0.1CC..EExtended strand (participates in β ladder)trans-133133.5-178.6-67.7167.491.700109.5T148 D175 I176 S204 T209 T228 C229T148-Q211 PolarHBondContact OG1-OE1 2.85Å; D175-Q211 PolarHBondContact OD2-NE2 3.09Å; I176-Q211 HydrophobicContact CD1-CB 4.05Å; I176-Q211 HydrophobicContact CG1-CB 4.21Å; S204-Q211 PolarHBondContact N-O 2.97Å; S204-Q211 PolarHBondContact O-N 3.47Å; T209-Q211 HydrophobicContact CG2-CG 4.11Å; Q211-T228 WeakPolarHBondContact CA-O 3.49Å; Q211-C229 HydrophobicContact CG-CB 4.11Å; Q211-C229 VanDerWaalsContact CG-SG 3.56Å
212V98.4Very high97.5Very high0 Ų016.8 Ų16.80%010%0.1CC..EExtended strand (participates in β ladder)trans-121.4123.9170.8-172.50000108.5F202 V203 T227 T228 F323 C326 F360F202-V212 VanDerWaalsContact O-CA 3.32Å; F202-V212 WeakPolarHBondContact O-CA 3.33Å; V203-V212 HydrophobicContact CG2-CG1 4.23Å; V203-V212 HydrophobicContact CG2-CG2 4.39Å; V212-T227 CarbonylContact O-C 3.56Å; V212-T227 VanDerWaalsContact O-CA 3.28Å; V212-T227 WeakPolarHBondContact O-CA 3.15Å; V212-T227 WeakPolarHBondContact O-CG2 3.04Å; V212-T228 PolarHBondContact N-O 2.92Å; V212-T228 PolarHBondContact O-N 2.97Å; V212-F323 HydrophobicContact CG2-CD1 3.3Å; V212-F323 HydrophobicContact CG2-CE1 3.61Å; V212-F323 HydrophobicContact CG2-CG 4.12Å; V212-C326 HydrophobicContact CB-CB 4.04Å; V212-C326 HydrophobicContact CG1-CB 3.75Å; V212-C326 PolarHBondContact O-SG 2.83Å; V212-F360 HydrophobicContact CG1-CZ 4.21Å
213G98.2Very high97.4Very high0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-122.3140.1175.500000111.3A201 F202 A226A201-G213 CarbonylContact C-O 3.56Å; A201-G213 WeakPolarHBondContact CA-O 3.48Å; F202-G213 PolarHBondContact N-O 3.47Å; F202-G213 PolarHBondContact O-N 3.02Å; G213-A226 WeakPolarHBondContact CA-O 3.35Å
214I98.7Very high97.4Very high0 Ų021.3 Ų21.30%012%0.12CC..EExtended strand (participates in β ladder)trans-113.8126.5171.3-60.9171.6000107.9I199 A201 L225 A226 C326 L327 A330 L332I199-I214 HydrophobicContact CG2-CG2 3.61Å; A201-I214 HydrophobicContact CB-CG1 4.06Å; I214-L225 HydrophobicContact CG2-CD1 4.43Å; I214-L225 WeakPolarHBondContact O-CB 3.42Å; I214-L225 PolarHBondContact O-N 2.9Å; I214-A226 PolarHBondContact N-O 3.03Å; I214-A226 PolarHBondContact O-N 3.2Å; I214-C326 HydrophobicContact CD1-CB 4.36Å; I214-L327 HydrophobicContact CD1-CD2 3.85Å; I214-L327 HydrophobicContact CD1-CG 4.3Å; I214-A330 HydrophobicContact CB-CB 4.39Å; I214-A330 HydrophobicContact CD1-CB 3.91Å; I214-L332 HydrophobicContact CG2-CD1 4.03Å
215C98.6Very high97.4Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-125.3146.6-176.7-58.20000110.9I199 V200 F202 F217 M222 K223I199-C215 WeakPolarHBondContact CA-O 3.36Å; V200-C215 PolarHBondContact N-O 3.2Å; V200-C215 PolarHBondContact O-N 3.01Å; F202-C215 HydrophobicContact CE2-CB 3.95Å; C215-F217 HydrophobicContact CB-CD2 4.32Å; C215-F217 HydrophobicContact CB-CE2 3.58Å; C215-F217 HydrophobicContact CB-CZ 4.01Å; C215-M222 HydrophobicContact CB-CG 4.21Å; C215-M222 HydrophobicContact CB-SD 4.41Å; C215-K223 CarbonylContact C-O 3.59Å; C215-K223 VanDerWaalsContact CA-O 3.28Å; C215-K223 WeakPolarHBondContact CA-O 3.24Å
216S98.2Very high97.3Very high14 Ų1422.7 Ų22.710%0.09813%0.126CC..EExtended strand (participates in β ladder)trans-104.5132.2170.966.20000110.3K223S216-K223 PolarHBondContact N-O 3.4Å; S216-K223 PolarHBondContact O-N 2.79Å
217F98.5Very high97.4Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-118.5132.4-177.9-69-88.2000113G180 Y183 L190 P197 K198 V200 F202 C215 M222G180-F217 VanDerWaalsContact O-CE1 3.24Å; G180-F217 WeakPolarHBondContact O-CE1 3.48Å; G180-F217 WeakPolarHBondContact O-CZ 3.47Å; Y183-F217 HydrophobicContact CD1-CD1 4.31Å; Y183-F217 HydrophobicContact CD1-CD2 4.18Å; Y183-F217 AromaticContact CD1-CE1 4Å; Y183-F217 HydrophobicContact CD1-CE1 4Å; Y183-F217 AromaticContact CD1-CE2 3.85Å; Y183-F217 HydrophobicContact CD1-CE2 3.85Å; Y183-F217 HydrophobicContact CD1-CG 4.39Å; Y183-F217 AromaticContact CD1-CZ 3.76Å; Y183-F217 HydrophobicContact CD1-CZ 3.76Å; Y183-F217 HydrophobicContact CE1-CD2 4.3Å; Y183-F217 HydrophobicContact CE1-CE2 4.32Å; Y183-F217 HydrophobicContact CG-CZ 4.35Å; L190-F217 HydrophobicContact CD1-CB 4.35Å; L190-F217 HydrophobicContact CD1-CD1 4.38Å; L190-F217 HydrophobicContact CD2-CB 3.93Å; L190-F217 HydrophobicContact CD2-CG 4.47Å; P197-F217 CarbonylContact C-O 3.59Å; P197-F217 VanDerWaalsContact CA-O 3.24Å; P197-F217 WeakPolarHBondContact CA-O 3.13Å; P197-F217 WeakPolarHBondContact CB-O 3.43Å; K198-F217 PolarHBondContact N-O 2.64Å; K198-F217 PolarHBondContact O-N 2.81Å; V200-F217 HydrophobicContact CB-CD2 4.2Å; V200-F217 HydrophobicContact CB-CE2 3.97Å; V200-F217 HydrophobicContact CG2-CD2 3.92Å; V200-F217 HydrophobicContact CG2-CE2 4.12Å; F202-F217 AromaticContact CE2-CE2 3.82Å; F202-F217 HydrophobicContact CE2-CE2 3.82Å; F202-F217 AromaticContact CE2-CZ 3.88Å; F202-F217 HydrophobicContact CE2-CZ 3.88Å; F202-F217 AromaticContact CZ-CE2 3.82Å; F202-F217 HydrophobicContact CZ-CE2 3.82Å; F202-F217 AromaticContact CZ-CZ 3.8Å; F202-F217 HydrophobicContact CZ-CZ 3.8Å; C215-F217 HydrophobicContact CB-CD2 4.32Å; C215-F217 HydrophobicContact CB-CE2 3.58Å; C215-F217 HydrophobicContact CB-CZ 4.01Å; F217-M222 HydrophobicContact CD1-CB 4.02Å; F217-M222 HydrophobicContact CD1-CG 4.07Å; F217-M222 HydrophobicContact CE1-CB 3.76Å; F217-M222 HydrophobicContact CE1-CG 3.51Å; F217-M222 HydrophobicContact CE1-SD 3.62Å; F217-M222 HydrophobicContact CE2-CG 4.5Å; F217-M222 HydrophobicContact CZ-CB 4.5Å; F217-M222 HydrophobicContact CZ-CG 3.76Å; F217-M222 HydrophobicContact CZ-SD 3.58Å; F217-M222 VanDerWaalsContact CZ-SD 3.58Å
218N97.5Very high97.3Very high15 Ų1519.8 Ų19.88%0.0811%0.109CC..EExtended strand (participates in β ladder)trans-121.1167.8155.5-60.497.7000108.2P191 P192 Q195 G220 K221P191-N218 CarbonylContact O-C 3.54Å; P191-N218 WeakPolarHBondContact O-CA 3.49Å; P191-N218 WeakPolarHBondContact O-CB 3.43Å; P192-N218 PolarHBondContact O-ND2 3.49Å; Q195-N218 PolarHBondContact O-ND2 2.89Å; N218-G220 PolarHBondContact O-N 2.85Å; N218-K221 PolarHBondContact N-O 2.94Å; N218-K221 PolarHBondContact O-N 3.08Å
219T95.3Very high97.3Very high87 Ų8721.4 Ų21.453%0.53412%0.121SC..THydrogen-bonded Turntrans-52.7124.2170-72.40000110L190 P191 K221L190-T219 PolarHBondContact O-OG1 3.16Å; P191-T219 PolarHBondContact O-N 2.88Å; T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 3.3Å
220G93.7Very high97.3Very high28 Ų2822.3 Ų22.329%0.28913%0.125SC..THydrogen-bonded Turntrans71.210.6-179.300000115.7N218 D393 F394 N395N218-G220 PolarHBondContact O-N 2.85Å; G220-D393 WeakPolarHBondContact CA-O 3.49Å; G220-F394 CarbonylContact O-C 3.5Å; G220-F394 WeakPolarHBondContact O-CA 3.49Å; G220-N395 PolarHBondContact O-N 3.01Å
221K96.3Very high97.1Very high93 Ų9322.5 Ų22.540%0.40413%0.127SC..EExtended strand (participates in β ladder)trans-149129.1-177.8-174.6179.2177.1-175.70113.7N218 T219 N395N218-K221 PolarHBondContact N-O 2.94Å; N218-K221 PolarHBondContact O-N 3.08Å; T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 3.3Å; K221-N395 WeakPolarHBondContact CA-O 3.28Å; K221-N395 HydrophobicContact CG-CB 4.49Å
222M97.4Very high97Very high0 Ų023.8 Ų23.80%013%0.132CC..EExtended strand (participates in β ladder)trans-119.7137.7166.6-178-176.269.900110.6T177 G180 C215 F217 V224 F394 N395 V396 V397T177-M222 HydrophobicContact CG2-CE 3.78Å; G180-M222 WeakPolarHBondContact CA-SD 3.42Å; C215-M222 HydrophobicContact CB-CG 4.21Å; C215-M222 HydrophobicContact CB-SD 4.41Å; F217-M222 HydrophobicContact CD1-CB 4.02Å; F217-M222 HydrophobicContact CD1-CG 4.07Å; F217-M222 HydrophobicContact CE1-CB 3.76Å; F217-M222 HydrophobicContact CE1-CG 3.51Å; F217-M222 HydrophobicContact CE1-SD 3.62Å; F217-M222 HydrophobicContact CE2-CG 4.5Å; F217-M222 HydrophobicContact CZ-CB 4.5Å; F217-M222 HydrophobicContact CZ-CG 3.76Å; F217-M222 HydrophobicContact CZ-SD 3.58Å; F217-M222 VanDerWaalsContact CZ-SD 3.58Å; M222-V224 HydrophobicContact CE-CG2 4.34Å; M222-F394 HydrophobicContact CB-CE1 3.92Å; M222-F394 HydrophobicContact CB-CZ 3.87Å; M222-N395 PolarHBondContact N-O 3.37Å; M222-V396 HydrophobicContact CE-CB 4.42Å; M222-V396 HydrophobicContact CE-CG1 3.58Å; M222-V396 HydrophobicContact CE-CG2 4.09Å; M222-V396 WeakPolarHBondContact O-CA 3.41Å; M222-V397 PolarHBondContact O-N 3.39Å
223K97.6Very high96.9Very high90 Ų9023.8 Ų23.839%0.39113%0.132SC..EExtended strand (participates in β ladder)trans-124.7128.3164177-176.9178.5-1720109.4C215 S216 L225 V397C215-K223 CarbonylContact C-O 3.59Å; C215-K223 VanDerWaalsContact CA-O 3.28Å; C215-K223 WeakPolarHBondContact CA-O 3.24Å; S216-K223 PolarHBondContact N-O 3.4Å; S216-K223 PolarHBondContact O-N 2.79Å; K223-L225 HydrophobicContact CD-CD2 3.99Å; K223-L225 HydrophobicContact CG-CD2 4.19Å; K223-L225 PolarHBondContact O-N 3Å; K223-V397 HydrophobicContact CB-CB 4.15Å; K223-V397 HydrophobicContact CG-CB 4.07Å; K223-V397 HydrophobicContact CG-CG1 4.16Å
224V98.1Very high96.9Very high5 Ų523.8 Ų23.83%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-77120.3168.4-175.40000107.6I176 M222 T227 V397 P399I176-V224 HydrophobicContact CG2-CG1 4.32Å; M222-V224 HydrophobicContact CE-CG2 4.34Å; V224-T227 WeakPolarHBondContact CG1-OG1 3.13Å; V224-V397 PolarHBondContact N-O 2.91Å; V224-P399 HydrophobicContact CB-CG 4.32Å; V224-P399 HydrophobicContact CG1-CG 4.25Å
225L97.8Very high96.8Very high39 Ų3923.8 Ų23.820%0.20413%0.132CC..EExtended strand (participates in β ladder)trans-88.1-40.8-178.8-60.4-176.8000111.7I199 I214 K223 L332I199-L225 HydrophobicContact CD1-CD1 4.08Å; I214-L225 HydrophobicContact CG2-CD1 4.43Å; I214-L225 WeakPolarHBondContact O-CB 3.42Å; I214-L225 PolarHBondContact O-N 2.9Å; K223-L225 HydrophobicContact CD-CD2 3.99Å; K223-L225 HydrophobicContact CG-CD2 4.19Å; K223-L225 PolarHBondContact O-N 3Å; L225-L332 HydrophobicContact CD1-CD1 4.15Å
226A97.2Very high96.7Very high0 Ų023.9 Ų23.90%013%0.133CC..EExtended strand (participates in β ladder)trans-148.4151.5-179.900000110.3G213 I214 V329 A330G213-A226 WeakPolarHBondContact CA-O 3.35Å; I214-A226 PolarHBondContact N-O 3.03Å; I214-A226 PolarHBondContact O-N 3.2Å; A226-V329 HydrophobicContact CB-CB 4.08Å; A226-V329 HydrophobicContact CB-CG1 3.64Å; A226-A330 HydrophobicContact CB-CB 3.72Å
227T96.8Very high96.7Very high16 Ų1623.8 Ų23.810%0.09813%0.131CC..EExtended strand (participates in β ladder)trans-141.8135.5160.4-57.30000109.6T148 I176 V212 V224T148-T227 HydrophobicContact CG2-CG2 3.53Å; I176-T227 HydrophobicContact CG1-CG2 3.91Å; V212-T227 CarbonylContact O-C 3.56Å; V212-T227 VanDerWaalsContact O-CA 3.28Å; V212-T227 WeakPolarHBondContact O-CA 3.15Å; V212-T227 WeakPolarHBondContact O-CG2 3.04Å; V224-T227 WeakPolarHBondContact CG1-OG1 3.13Å
228T96.4Very high96.7Very high10 Ų1023.8 Ų23.86%0.06113%0.131CC..EExtended strand (participates in β ladder)trans-119.4149.7167.2580000109.1Q211 V212 L322 K325 C326 V329Q211-T228 WeakPolarHBondContact CA-O 3.49Å; V212-T228 PolarHBondContact N-O 2.92Å; V212-T228 PolarHBondContact O-N 2.97Å; T228-L322 PolarHBondContact OG1-O 3.32Å; T228-K325 HydrophobicContact CG2-CB 4.21Å; T228-K325 HydrophobicContact CG2-CD 4.22Å; T228-K325 HydrophobicContact CG2-CG 3.91Å; T228-C326 HydrophobicContact CG2-CB 4.08Å; T228-C326 WeakPolarHBondContact OG1-CB 3.43Å; T228-V329 HydrophobicContact CG2-CG2 4.33Å
229C96Very high96.7Very high39 Ų3923.3 Ų23.326%0.26413%0.128SC..EExtended strand (participates in β ladder)trans-142.1142.4-179.6-176.70000110.4Y149 T210 Q211Y149-C229 VanDerWaalsContact CD1-SG 3.59Å; T210-C229 CarbonylContact O-C 3.58Å; T210-C229 WeakPolarHBondContact O-CA 3.35Å; T210-C229 PolarHBondContact O-SG 3.28Å; T210-C229 VanDerWaalsContact O-SG 3.33Å; Q211-C229 HydrophobicContact CG-CB 4.11Å; Q211-C229 VanDerWaalsContact CG-SG 3.56Å
230D96Very high96.8Very high28 Ų2821.8 Ų21.815%0.1512%0.115CC..EExtended strand (participates in β ladder)trans-114107.4160.5-171.8-33.8000108T210 F232 L233 R318 L322T210-D230 PolarHBondContact N-O 3.27Å; T210-D230 PolarHBondContact O-N 3Å; D230-F232 PolarHBondContact O-N 3.41Å; D230-F232 WeakPolarHBondContact OD1-CA 3.43Å; D230-F232 PolarHBondContact OD1-N 2.91Å; D230-L233 HydrophobicContact CB-CB 3.82Å; D230-L233 HydrophobicContact CB-CD2 4.3Å; D230-L233 PolarHBondContact OD1-N 3.5Å; D230-R318 VanDerWaalsContact CG-NH2 3.32Å; D230-R318 IonicContact OD1-NH2 2.71Å; D230-R318 PolarHBondContact OD1-NH2 2.72Å; D230-R318 IonicContact OD2-CZ 2.89Å; D230-R318 IonicContact OD2-NE 2.85Å; D230-R318 PolarHBondContact OD2-NE 3.36Å; D230-R318 IonicContact OD2-NH2 3.21Å; D230-R318 PolarHBondContact OD2-NH2 2.88Å; D230-L322 HydrophobicContact CB-CD1 4.4Å; D230-L322 HydrophobicContact CB-CD2 3.87Å
231A94.9Very high97Very high4 Ų423 Ų233%0.03311%0.112CC..THydrogen-bonded Turntrans-73.2-1.4-177.900000113.3R71 Y149 P472R71-A231 PolarHBondContact NH1-O 2.77Å; R71-A231 PolarHBondContact NH2-O 3.1Å; Y149-A231 HydrophobicContact CD1-CB 3.83Å; Y149-A231 HydrophobicContact CD2-CB 3.96Å; Y149-A231 HydrophobicContact CE1-CB 3.94Å; Y149-A231 HydrophobicContact CE2-CB 4.12Å; Y149-A231 HydrophobicContact CG-CB 3.85Å; A231-P472 HydrophobicContact CB-CB 3.71Å; A231-P472 HydrophobicContact CB-CG 3.7Å
232F95.6Very high97.1Very high31 Ų3118.6 Ų18.614%0.1369%0.093CC..THydrogen-bonded Turntrans-130.116.2-176.8-52.7-69.5000113.2N84 D230 N237 P472N84-F232 HydrophobicContact CB-CD1 4.44Å; N84-F232 HydrophobicContact CB-CE1 4.34Å; N84-F232 WeakPolarHBondContact ND2-CD1 3.45Å; D230-F232 PolarHBondContact O-N 3.41Å; D230-F232 WeakPolarHBondContact OD1-CA 3.43Å; D230-F232 PolarHBondContact OD1-N 2.91Å; F232-N237 PolarHBondContact O-ND2 3.28Å; F232-N237 PolarHBondContact O-OD1 3.49Å; F232-P472 HydrophobicContact CE2-CB 4.04Å; F232-P472 HydrophobicContact CZ-CB 4.12Å
233L96.8Very high97.1Very high0 Ų020 Ų200%010%0.1CC..  trans-125.2122.9-179.5-176.767.5000109.5T209 T210 D230 N237 L315 R318 F319T209-L233 CarbonylContact C-O 3.44Å; T209-L233 WeakPolarHBondContact CA-O 3.48Å; T209-L233 PolarHBondContact N-O 3.45Å; T210-L233 WeakPolarHBondContact CB-O 3.48Å; T210-L233 PolarHBondContact N-O 2.93Å; T210-L233 PolarHBondContact OG1-O 3.43Å; D230-L233 HydrophobicContact CB-CB 3.82Å; D230-L233 HydrophobicContact CB-CD2 4.3Å; D230-L233 PolarHBondContact OD1-N 3.5Å; L233-N237 WeakPolarHBondContact CA-OD1 3.36Å; L233-L315 HydrophobicContact CD1-CB 4.32Å; L233-L315 HydrophobicContact CD1-CD2 4Å; L233-R318 HydrophobicContact CD2-CB 3.93Å; L233-F319 HydrophobicContact CD1-CE2 3.73Å; L233-F319 HydrophobicContact CD1-CZ 3.86Å; L233-F319 HydrophobicContact CD2-CD1 3.86Å; L233-F319 HydrophobicContact CD2-CD2 4.06Å; L233-F319 HydrophobicContact CD2-CE1 3.7Å; L233-F319 HydrophobicContact CD2-CE2 3.84Å; L233-F319 HydrophobicContact CD2-CG 4.04Å; L233-F319 HydrophobicContact CD2-CZ 3.68Å; L233-F319 HydrophobicContact CG-CE1 3.89Å; L233-F319 HydrophobicContact CG-CE2 3.82Å; L233-F319 HydrophobicContact CG-CZ 3.48Å; L233-F319 VanDerWaalsContact CG-CZ 3.48Å
234G97.2Very high97.1Very high0 Ų019.8 Ų19.80%010%0.103CC..SBendtrans-177.6-168.2176.200000111.8Y207 R236 N237 F238Y207-G234 CarbonylContact O-C 3.55Å; G234-R236 PolarHBondContact O-N 3.38Å; G234-N237 PolarHBondContact N-OD1 3.29Å; G234-N237 PolarHBondContact O-N 3.27Å; G234-N237 PolarHBondContact O-OD1 3.41Å; G234-F238 WeakPolarHBondContact O-CD2 3.29Å
235G97.8Very high97Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-49.1-35.4-177.700000115.3G206 Y207 N237 F238 D239 K276 S346G206-G235 PolarHBondContact O-N 3Å; Y207-G235 PolarHBondContact O-N 3.09Å; G235-N237 VanDerWaalsContact C-N 3.33Å; G235-N237 PolarHBondContact O-N 3.48Å; G235-F238 WeakPolarHBondContact O-CB 3.42Å; G235-F238 PolarHBondContact O-N 3.06Å; G235-D239 PolarHBondContact O-N 3.04Å; G235-D239 VanDerWaalsContact O-OD2 3.07Å; G235-K276 PolarHBondContact O-NZ 2.88Å; G235-S346 WeakPolarHBondContact CA-OG 3.19Å; G235-S346 PolarHBondContact N-OG 3.18Å
236R96.7Very high97Very high3 Ų320.8 Ų20.81%0.01111%0.105CC..Hα-helixtrans-67.4-27.2-178.975.3-178.3176.7175.2-4.7114.7E85 F88 Y207 G234 F238 D239 E240E85-R236 VanDerWaalsContact CD-NH1 3.32Å; E85-R236 IonicContact OE1-CZ 3.65Å; E85-R236 IonicContact OE1-NH1 3.2Å; E85-R236 PolarHBondContact OE1-NH1 3.17Å; E85-R236 IonicContact OE1-NH2 3.08Å; E85-R236 IonicContact OE2-CZ 2.79Å; E85-R236 IonicContact OE2-NH1 3.46Å; E85-R236 PolarHBondContact OE2-NH1 3.16Å; E85-R236 IonicContact OE2-NH2 3.27Å; E85-R236 PolarHBondContact OE2-NH2 2.86Å; F88-R236 HydrophobicContact CD1-CG 4.22Å; F88-R236 HydrophobicContact CE1-CG 4.08Å; Y207-R236 HydrophobicContact CD2-CB 3.99Å; Y207-R236 HydrophobicContact CE1-CB 4.15Å; Y207-R236 HydrophobicContact CE2-CB 3.53Å; Y207-R236 HydrophobicContact CG-CB 4.48Å; Y207-R236 WeakPolarHBondContact O-CB 3.25Å; Y207-R236 WeakPolarHBondContact O-CG 3.5Å; Y207-R236 PolarHBondContact O-N 3.06Å; G234-R236 PolarHBondContact O-N 3.38Å; R236-F238 VanDerWaalsContact C-N 3.29Å; R236-D239 WeakPolarHBondContact CA-OD2 3.43Å; R236-D239 WeakPolarHBondContact O-CB 3.39Å; R236-D239 PolarHBondContact O-N 2.96Å; R236-E240 WeakPolarHBondContact O-CB 3.16Å; R236-E240 PolarHBondContact O-N 3.26Å
237N97.8Very high97Very high11 Ų1121 Ų216%0.05911%0.107CC..Hα-helixtrans-72.9-30.7-179.5-60.296.2000110.5F232 L233 G234 G235 K241 L315F232-N237 PolarHBondContact O-ND2 3.28Å; F232-N237 PolarHBondContact O-OD1 3.49Å; L233-N237 WeakPolarHBondContact CA-OD1 3.36Å; G234-N237 PolarHBondContact N-OD1 3.29Å; G234-N237 PolarHBondContact O-N 3.27Å; G234-N237 PolarHBondContact O-OD1 3.41Å; G235-N237 VanDerWaalsContact C-N 3.33Å; G235-N237 PolarHBondContact O-N 3.48Å; N237-K241 VanDerWaalsContact O-CG 3.25Å; N237-K241 WeakPolarHBondContact O-CG 3.36Å; N237-K241 PolarHBondContact O-N 3.36Å; N237-K241 VanDerWaalsContact O-N 3.08Å; N237-L315 HydrophobicContact CB-CD1 3.88Å; N237-L315 HydrophobicContact CB-CD2 4.23Å
238F98.3Very high97Very high0 Ų023.4 Ų23.40%012%0.124CC..Hα-helixtrans-70.5-38169.3-61.1-82.9000111.8G234 G235 R236 E240 K241 L242 K276 F308 C312 L315 F319 M349 M351 I352G234-F238 WeakPolarHBondContact O-CD2 3.29Å; G235-F238 WeakPolarHBondContact O-CB 3.42Å; G235-F238 PolarHBondContact O-N 3.06Å; R236-F238 VanDerWaalsContact C-N 3.29Å; F238-E240 VanDerWaalsContact C-N 3.34Å; F238-K241 PolarHBondContact O-N 2.94Å; F238-L242 WeakPolarHBondContact O-CG 2.88Å; F238-L242 PolarHBondContact O-N 2.58Å; F238-L242 VanDerWaalsContact O-N 3.12Å; F238-K276 HydrophobicContact CB-CD 3.7Å; F238-F308 HydrophobicContact CB-CE2 4.12Å; F238-F308 HydrophobicContact CB-CZ 3.95Å; F238-F308 HydrophobicContact CD1-CE2 4.24Å; F238-F308 AromaticContact CD1-CZ 3.88Å; F238-F308 HydrophobicContact CD1-CZ 3.88Å; F238-F308 HydrophobicContact CG-CZ 4.28Å; F238-C312 HydrophobicContact CD1-CB 3.75Å; F238-C312 HydrophobicContact CE1-CB 3.75Å; F238-L315 HydrophobicContact CD1-CD1 3.79Å; F238-L315 HydrophobicContact CD2-CD1 4.38Å; F238-L315 HydrophobicContact CE1-CB 4.05Å; F238-L315 HydrophobicContact CE1-CD1 3.85Å; F238-L315 HydrophobicContact CE2-CD1 4.45Å; F238-L315 HydrophobicContact CG-CD1 4.08Å; F238-L315 HydrophobicContact CZ-CB 4.13Å; F238-L315 HydrophobicContact CZ-CD1 4.23Å; F238-F319 AromaticContact CE2-CE2 3.72Å; F238-F319 HydrophobicContact CE2-CE2 3.72Å; F238-F319 AromaticContact CE2-CZ 3.86Å; F238-F319 HydrophobicContact CE2-CZ 3.86Å; F238-F319 HydrophobicContact CZ-CD2 4.36Å; F238-F319 AromaticContact CZ-CE2 3.46Å; F238-F319 HydrophobicContact CZ-CE2 3.46Å; F238-F319 VanDerWaalsContact CZ-CE2 3.46Å; F238-F319 HydrophobicContact CZ-CZ 4.06Å; F238-M349 HydrophobicContact CD1-CE 4.37Å; F238-M349 HydrophobicContact CD2-CE 3.62Å; F238-M349 HydrophobicContact CD2-SD 4.41Å; F238-M349 HydrophobicContact CE1-CE 4.21Å; F238-M349 HydrophobicContact CE2-CE 3.41Å; F238-M349 VanDerWaalsContact CE2-CE 3.41Å; F238-M349 HydrophobicContact CG-CE 4.08Å; F238-M349 HydrophobicContact CG-SD 4.34Å; F238-M349 HydrophobicContact CZ-CE 3.71Å; F238-M351 HydrophobicContact CD1-CE 3.44Å; F238-M351 VanDerWaalsContact CD1-CE 3.44Å; F238-M351 HydrophobicContact CD1-SD 4.45Å; F238-M351 HydrophobicContact CE1-CE 3.17Å; F238-M351 HydrophobicContact CE1-SD 3.76Å; F238-M351 HydrophobicContact CG-CE 4.36Å; F238-M351 HydrophobicContact CZ-CE 3.91Å; F238-I352 HydrophobicContact CZ-CD1 4.3Å
239D97.8Very high96.9Very high6 Ų625.8 Ų25.83%0.03214%0.135CC..Hα-helixtrans-64-40173.7-56.9-39000111.3G235 R236 L242 F243 L269 E273 K276G235-D239 PolarHBondContact O-N 3.04Å; G235-D239 VanDerWaalsContact O-OD2 3.07Å; R236-D239 WeakPolarHBondContact CA-OD2 3.43Å; R236-D239 WeakPolarHBondContact O-CB 3.39Å; R236-D239 PolarHBondContact O-N 2.96Å; D239-L242 PolarHBondContact O-N 3.15Å; D239-F243 VanDerWaalsContact O-CB 3.22Å; D239-F243 WeakPolarHBondContact O-CB 3.32Å; D239-F243 PolarHBondContact O-N 3.42Å; D239-L269 HydrophobicContact CB-CD2 4.4Å; D239-E273 WeakPolarHBondContact OD1-CA 3.31Å; D239-K276 WeakPolarHBondContact OD1-CD 3.32Å; D239-K276 VanDerWaalsContact OD1-CE 3.29Å; D239-K276 WeakPolarHBondContact OD1-CE 3.31Å; D239-K276 IonicContact OD1-NZ 2.68Å; D239-K276 PolarHBondContact OD1-NZ 3.36Å; D239-K276 IonicContact OD2-NZ 3.44Å; D239-K276 PolarHBondContact OD2-NZ 3.35Å
240E96.8Very high97Very high55 Ų5523.9 Ų23.926%0.25712%0.122SC..Hα-helixtrans-61.9-41.1173.7176.8179.5-142.800112.3F88 R236 F238 F243 N244F88-E240 HydrophobicContact CE1-CB 4.2Å; F88-E240 HydrophobicContact CE1-CG 4.42Å; F88-E240 WeakPolarHBondContact CZ-OE2 3.09Å; R236-E240 WeakPolarHBondContact O-CB 3.16Å; R236-E240 PolarHBondContact O-N 3.26Å; F238-E240 VanDerWaalsContact C-N 3.34Å; E240-F243 PolarHBondContact O-N 3.31Å; E240-N244 WeakPolarHBondContact O-CB 3.46Å; E240-N244 PolarHBondContact O-N 3.49Å; E240-N244 PolarHBondContact O-ND2 2.93Å; E240-N244 VanDerWaalsContact O-ND2 3.1Å
241K97.9Very high96.9Very high53 Ų5325.1 Ų25.123%0.2313%0.127CC..Hα-helixtrans-61.4-47.8175.1-71.7-82.2177.3157.50111.9N237 F238 K245 L311 D314 L315N237-K241 VanDerWaalsContact O-CG 3.25Å; N237-K241 WeakPolarHBondContact O-CG 3.36Å; N237-K241 PolarHBondContact O-N 3.36Å; N237-K241 VanDerWaalsContact O-N 3.08Å; F238-K241 PolarHBondContact O-N 2.94Å; K241-K245 PolarHBondContact O-N 2.95Å; K241-L311 HydrophobicContact CB-CD2 4.27Å; K241-L311 HydrophobicContact CB-CG 4.29Å; K241-D314 WeakPolarHBondContact CE-OD1 3.25Å; K241-D314 WeakPolarHBondContact CE-OD2 3.39Å; K241-D314 IonicContact NZ-OD1 2.7Å; K241-D314 PolarHBondContact NZ-OD1 2.81Å; K241-D314 IonicContact NZ-OD2 2.64Å; K241-D314 PolarHBondContact NZ-OD2 3.35Å; K241-L315 HydrophobicContact CG-CD1 4.01Å
242L98.3Very high96.9Very high0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-63-46.6175.7-69.1174.1000111.5F238 D239 N244 K245 F246 C272 L275 K276 M279 M303 F308F238-L242 WeakPolarHBondContact O-CG 2.88Å; F238-L242 PolarHBondContact O-N 2.58Å; F238-L242 VanDerWaalsContact O-N 3.12Å; D239-L242 PolarHBondContact O-N 3.15Å; L242-N244 PolarHBondContact O-N 2.94Å; L242-K245 PolarHBondContact O-N 3.49Å; L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CB-CE2 4.28Å; L242-F246 HydrophobicContact CD2-CE2 4.07Å; L242-F246 WeakPolarHBondContact O-CD2 3.14Å; L242-F246 PolarHBondContact O-N 3.23Å; L242-C272 HydrophobicContact CB-CB 3.84Å; L242-C272 HydrophobicContact CD1-CB 4.35Å; L242-C272 WeakPolarHBondContact CD1-O 3.4Å; L242-L275 HydrophobicContact CD1-CD2 4.49Å; L242-L275 HydrophobicContact CD2-CD2 4.34Å; L242-K276 HydrophobicContact CD1-CB 3.97Å; L242-M279 HydrophobicContact CD1-CE 4.14Å; L242-M279 HydrophobicContact CD2-CE 4.25Å; L242-M303 HydrophobicContact CD2-CE 4.34Å; L242-M303 HydrophobicContact CD2-SD 3.4Å; L242-M303 WeakPolarHBondContact CD2-SD 3.49Å; L242-F308 HydrophobicContact CD1-CD2 4.2Å; L242-F308 HydrophobicContact CD1-CE2 3.93Å; L242-F308 HydrophobicContact CD2-CD2 3.59Å; L242-F308 HydrophobicContact CD2-CE2 4.1Å; L242-F308 HydrophobicContact CD2-CG 4.45Å; L242-F308 HydrophobicContact CG-CD2 3.92Å; L242-F308 HydrophobicContact CG-CE2 3.88Å
243F97.5Very high96.9Very high31 Ų3135.8 Ų35.814%0.13618%0.177CC..Hα-helixtrans-56.4-50.3177.2169.4-94.5000111.6D239 E240 K245 F246 A247 L260 T265 L268 L269D239-F243 VanDerWaalsContact O-CB 3.22Å; D239-F243 WeakPolarHBondContact O-CB 3.32Å; D239-F243 PolarHBondContact O-N 3.42Å; E240-F243 PolarHBondContact O-N 3.31Å; F243-K245 VanDerWaalsContact C-N 3.33Å; F243-K245 PolarHBondContact O-N 2.96Å; F243-F246 PolarHBondContact O-N 3.29Å; F243-A247 HydrophobicContact CE1-CB 4.33Å; F243-A247 HydrophobicContact CE2-CB 4.23Å; F243-A247 HydrophobicContact CZ-CB 4.07Å; F243-A247 WeakPolarHBondContact O-CB 3.5Å; F243-A247 PolarHBondContact O-N 3.27Å; F243-L260 HydrophobicContact CE2-CD1 4.12Å; F243-L260 HydrophobicContact CZ-CD1 4.37Å; F243-T265 HydrophobicContact CE2-CG2 3.8Å; F243-T265 HydrophobicContact CZ-CG2 3.77Å; F243-L268 HydrophobicContact CD2-CB 4.08Å; F243-L268 HydrophobicContact CD2-CD2 3.64Å; F243-L268 HydrophobicContact CD2-CG 3.77Å; F243-L268 HydrophobicContact CE2-CB 4.23Å; F243-L268 HydrophobicContact CE2-CD2 3.78Å; F243-L268 HydrophobicContact CE2-CG 4.22Å; F243-L269 HydrophobicContact CB-CD2 3.72Å; F243-L269 HydrophobicContact CB-CG 4.4Å; F243-L269 HydrophobicContact CD2-CD2 4.15Å; F243-L269 HydrophobicContact CD2-CG 3.91Å; F243-L269 HydrophobicContact CG-CD2 3.95Å; F243-L269 HydrophobicContact CG-CG 4.22Å
244N96.9Very high96.8Very high85 Ų8539.5 Ų39.546%0.45519%0.191SC..Hα-helixtrans-62.1-39.9-178.7-73.9-31.7000112.1E240 L242 S248E240-N244 WeakPolarHBondContact O-CB 3.46Å; E240-N244 PolarHBondContact O-N 3.49Å; E240-N244 PolarHBondContact O-ND2 2.93Å; E240-N244 VanDerWaalsContact O-ND2 3.1Å; L242-N244 PolarHBondContact O-N 2.94Å; N244-S248 VanDerWaalsContact O-CB 3.22Å; N244-S248 WeakPolarHBondContact O-CB 3.45Å; N244-S248 PolarHBondContact O-N 3.13Å
245K97.6Very high96.7Very high64 Ų6448 Ų4828%0.27823%0.228SC..Hα-helixtrans-59.7-58.7173.6173.1178.3164.463.90111K241 L242 F243 S248 E249 M303 L311K241-K245 PolarHBondContact O-N 2.95Å; L242-K245 PolarHBondContact O-N 3.49Å; F243-K245 VanDerWaalsContact C-N 3.33Å; F243-K245 PolarHBondContact O-N 2.96Å; K245-S248 PolarHBondContact O-N 2.99Å; K245-E249 IonicContact NZ-OE1 2.77Å; K245-E249 PolarHBondContact NZ-OE1 3.28Å; K245-E249 IonicContact NZ-OE2 3.08Å; K245-E249 WeakPolarHBondContact O-CG 3.34Å; K245-E249 PolarHBondContact O-N 3.07Å; K245-M303 HydrophobicContact CD-CE 3.77Å; K245-M303 HydrophobicContact CD-SD 4.11Å; K245-L311 HydrophobicContact CB-CD2 4.27Å; K245-L311 HydrophobicContact CD-CD2 4.02Å
246F97.8Very high96.3Very high0 Ų049.3 Ų49.30%024%0.235CC..Hα-helixtrans-72.4-33.6-172.6-64.3-55.7000113.6L242 F243 F250 L268 L275 I288 L299 N301 M303L242-F246 HydrophobicContact CB-CD2 4.43Å; L242-F246 HydrophobicContact CB-CE2 4.28Å; L242-F246 HydrophobicContact CD2-CE2 4.07Å; L242-F246 WeakPolarHBondContact O-CD2 3.14Å; L242-F246 PolarHBondContact O-N 3.23Å; F243-F246 PolarHBondContact O-N 3.29Å; F246-F250 WeakPolarHBondContact O-CB 3.36Å; F246-F250 PolarHBondContact O-N 2.89Å; F246-L268 HydrophobicContact CB-CD1 4.27Å; F246-L268 HydrophobicContact CB-CD2 4.43Å; F246-L275 HydrophobicContact CE2-CD2 3.7Å; F246-L275 HydrophobicContact CZ-CD2 3.94Å; F246-I288 HydrophobicContact CD1-CG2 4.14Å; F246-I288 HydrophobicContact CD2-CD1 3.8Å; F246-I288 HydrophobicContact CD2-CG2 4.28Å; F246-I288 HydrophobicContact CE1-CG2 3.75Å; F246-I288 HydrophobicContact CE2-CD1 3.91Å; F246-I288 HydrophobicContact CE2-CG2 3.91Å; F246-I288 HydrophobicContact CG-CG2 4.39Å; F246-I288 HydrophobicContact CZ-CG2 3.63Å; F246-L299 HydrophobicContact CB-CD2 3.98Å; F246-N301 HydrophobicContact CD1-CB 4.18Å; F246-N301 HydrophobicContact CE1-CB 4.13Å; F246-M303 HydrophobicContact CE2-SD 4.37Å; F246-M303 HydrophobicContact CZ-CB 4.13Å; F246-M303 HydrophobicContact CZ-SD 3.88Å
247A96.3Very high95.8Very high6 Ų658.9 Ų58.95%0.0528%0.276CS..Hα-helixtrans-62.9-45173.600000111.1F243 F250 Q251 L260 L268F243-A247 HydrophobicContact CE1-CB 4.33Å; F243-A247 HydrophobicContact CE2-CB 4.23Å; F243-A247 HydrophobicContact CZ-CB 4.07Å; F243-A247 WeakPolarHBondContact O-CB 3.5Å; F243-A247 PolarHBondContact O-N 3.27Å; A247-F250 PolarHBondContact O-N 2.9Å; A247-Q251 WeakPolarHBondContact O-CB 3.4Å; A247-Q251 WeakPolarHBondContact O-CG 3.38Å; A247-Q251 PolarHBondContact O-N 3.34Å; A247-Q251 PolarHBondContact O-OE1 2.87Å; A247-L260 HydrophobicContact CB-CD1 3.9Å; A247-L268 HydrophobicContact CB-CD2 3.98Å
248S96Very high95.2Very high66 Ų6660.9 Ų60.946%0.46230%0.3SS..Hα-helixtrans-62.6-47.5176.9-174.40000112N244 K245 F250 Q251 Q252N244-S248 VanDerWaalsContact O-CB 3.22Å; N244-S248 WeakPolarHBondContact O-CB 3.45Å; N244-S248 PolarHBondContact O-N 3.13Å; K245-S248 PolarHBondContact O-N 2.99Å; S248-F250 PolarHBondContact O-N 3.21Å; S248-Q251 PolarHBondContact O-N 2.78Å; S248-Q252 WeakPolarHBondContact O-CB 3.36Å; S248-Q252 PolarHBondContact O-N 2.86Å
249E96Very high94.7Very high59 Ų5966.1 Ų66.128%0.27634%0.337SS..Hα-helixtrans-61.2-43.7177.8-73.9172.6-174.100111.8K245 Q252 Q253 N301K245-E249 IonicContact NZ-OE1 2.77Å; K245-E249 PolarHBondContact NZ-OE1 3.28Å; K245-E249 IonicContact NZ-OE2 3.08Å; K245-E249 WeakPolarHBondContact O-CG 3.34Å; K245-E249 PolarHBondContact O-N 3.07Å; E249-Q252 PolarHBondContact O-N 3.48Å; E249-Q253 VanDerWaalsContact O-CB 3.24Å; E249-Q253 WeakPolarHBondContact O-CB 3.15Å; E249-Q253 PolarHBondContact O-N 3.25Å; E249-N301 PolarHBondContact OE2-ND2 3.03Å
250F96.3Very high94.4Very high0 Ų066.6 Ų66.60%034%0.339CS..Hα-helixtrans-63.7-47.4176.3-177.3-106.4000112.5F246 A247 S248 Q252 Q253 Y254 L256 L260 L293 A294 R297 L299F246-F250 WeakPolarHBondContact O-CB 3.36Å; F246-F250 PolarHBondContact O-N 2.89Å; A247-F250 PolarHBondContact O-N 2.9Å; S248-F250 PolarHBondContact O-N 3.21Å; F250-Q252 VanDerWaalsContact C-N 3.3Å; F250-Q252 PolarHBondContact O-N 2.97Å; F250-Q253 PolarHBondContact O-N 2.64Å; F250-Y254 AromaticContact CD2-CD2 3.56Å; F250-Y254 HydrophobicContact CD2-CD2 3.56Å; F250-Y254 AromaticContact CD2-CE2 3.6Å; F250-Y254 HydrophobicContact CD2-CE2 3.6Å; F250-Y254 AromaticContact CE2-CD2 3.5Å; F250-Y254 HydrophobicContact CE2-CD2 3.5Å; F250-Y254 AromaticContact CE2-CE2 3.49Å; F250-Y254 HydrophobicContact CE2-CE2 3.49Å; F250-Y254 VanDerWaalsContact CE2-CE2 3.49Å; F250-Y254 HydrophobicContact CG-CD2 4.22Å; F250-Y254 HydrophobicContact CZ-CD2 4.13Å; F250-Y254 HydrophobicContact CZ-CE2 4.45Å; F250-Y254 WeakPolarHBondContact O-CD2 3.32Å; F250-Y254 PolarHBondContact O-N 3.05Å; F250-L256 HydrophobicContact CD1-CD1 3.65Å; F250-L256 HydrophobicContact CE1-CD1 3.36Å; F250-L256 HydrophobicContact CZ-CD1 4.25Å; F250-L260 HydrophobicContact CD1-CD2 4.07Å; F250-L260 HydrophobicContact CE1-CD2 4.1Å; F250-L293 HydrophobicContact CD1-CD2 3.78Å; F250-L293 HydrophobicContact CD1-CG 4.38Å; F250-L293 HydrophobicContact CD2-CD2 4.16Å; F250-L293 HydrophobicContact CE1-CB 4.17Å; F250-L293 HydrophobicContact CE1-CD2 3.75Å; F250-L293 HydrophobicContact CE1-CG 3.88Å; F250-L293 HydrophobicContact CE2-CB 4.3Å; F250-L293 HydrophobicContact CE2-CD2 4.16Å; F250-L293 HydrophobicContact CG-CD2 3.97Å; F250-L293 HydrophobicContact CZ-CB 3.8Å; F250-L293 HydrophobicContact CZ-CD2 3.96Å; F250-L293 HydrophobicContact CZ-CG 4.03Å; F250-A294 HydrophobicContact CE1-CB 3.96Å; F250-A294 HydrophobicContact CZ-CB 4.41Å; F250-R297 HydrophobicContact CE2-CB 4.06Å; F250-R297 HydrophobicContact CZ-CB 3.91Å; F250-L299 HydrophobicContact CB-CD1 4.24Å; F250-L299 HydrophobicContact CD2-CB 3.93Å; F250-L299 HydrophobicContact CD2-CD1 4.15Å; F250-L299 HydrophobicContact CE2-CB 4.22Å
251Q95.3Very high94.1Very high53 Ų5367.4 Ų67.425%0.24835%0.351CS..Hα-helixtrans-61.1-39176.4-74.1169.2-49.800111.7A247 S248 K255 L256 G258A247-Q251 WeakPolarHBondContact O-CB 3.4Å; A247-Q251 WeakPolarHBondContact O-CG 3.38Å; A247-Q251 PolarHBondContact O-N 3.34Å; A247-Q251 PolarHBondContact O-OE1 2.87Å; S248-Q251 PolarHBondContact O-N 2.78Å; Q251-K255 CarbonylContact O-C 3.58Å; Q251-K255 WeakPolarHBondContact O-CA 3.41Å; Q251-K255 PolarHBondContact O-N 3.05Å; Q251-L256 HydrophobicContact CG-CB 4.34Å; Q251-L256 PolarHBondContact O-N 2.83Å; Q251-G258 PolarHBondContact NE2-O 3.03Å
252Q95.4Very high93.8Very high152 Ų15267.8 Ų67.871%0.7136%0.36SS*.Hα-helixtrans-69.1-45.4176.4-174.7178.45.100112.1S248 E249 F250 K255S248-Q252 WeakPolarHBondContact O-CB 3.36Å; S248-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 PolarHBondContact O-N 3.48Å; F250-Q252 VanDerWaalsContact C-N 3.3Å; F250-Q252 PolarHBondContact O-N 2.97Å; Q252-K255 PolarHBondContact O-N 2.82Å
253Q95.4Very high93.6Very high108 Ų10872.2 Ų72.251%0.50538%0.379SS..Hα-helixtrans-60.2-46.8-179.7178176.7-12.200111.9E249 F250E249-Q253 VanDerWaalsContact O-CB 3.24Å; E249-Q253 WeakPolarHBondContact O-CB 3.15Å; E249-Q253 PolarHBondContact O-N 3.25Å; F250-Q253 PolarHBondContact O-N 2.64Å
254Y94.2Very high93.4Very high77 Ų7770.8 Ų70.830%0.30237%0.374SS..Hα-helixtrans-96.3-0.9-177.6-64.2-74000114.1F250 L256 R297 D298F250-Y254 AromaticContact CD2-CD2 3.56Å; F250-Y254 HydrophobicContact CD2-CD2 3.56Å; F250-Y254 AromaticContact CD2-CE2 3.6Å; F250-Y254 HydrophobicContact CD2-CE2 3.6Å; F250-Y254 AromaticContact CE2-CD2 3.5Å; F250-Y254 HydrophobicContact CE2-CD2 3.5Å; F250-Y254 AromaticContact CE2-CE2 3.49Å; F250-Y254 HydrophobicContact CE2-CE2 3.49Å; F250-Y254 VanDerWaalsContact CE2-CE2 3.49Å; F250-Y254 HydrophobicContact CG-CD2 4.22Å; F250-Y254 HydrophobicContact CZ-CD2 4.13Å; F250-Y254 HydrophobicContact CZ-CE2 4.45Å; F250-Y254 WeakPolarHBondContact O-CD2 3.32Å; F250-Y254 PolarHBondContact O-N 3.05Å; Y254-L256 VanDerWaalsContact C-N 3.27Å; Y254-L256 PolarHBondContact O-N 2.9Å; Y254-R297 HydrophobicContact CD1-CB 4.15Å; Y254-R297 HydrophobicContact CD1-CG 3.74Å; Y254-R297 HydrophobicContact CD2-CB 4.27Å; Y254-R297 HydrophobicContact CE1-CB 4.08Å; Y254-R297 HydrophobicContact CE1-CG 3.98Å; Y254-R297 HydrophobicContact CE2-CB 4.23Å; Y254-R297 HydrophobicContact CG-CB 4.24Å; Y254-R297 HydrophobicContact CG-CG 4.07Å; Y254-D298 PolarHBondContact OH-O 3.12Å
255K94.1Very high93.3Very high179 Ų17968.4 Ų68.478%0.77836%0.362SS*.THydrogen-bonded Turntrans57.236179.8-55.2175.8-177174.10113.6Q251 Q252Q251-K255 CarbonylContact O-C 3.58Å; Q251-K255 WeakPolarHBondContact O-CA 3.41Å; Q251-K255 PolarHBondContact O-N 3.05Å; Q252-K255 PolarHBondContact O-N 2.82Å
256L90.4Very high93.1Very high27 Ų2765.9 Ų65.914%0.14135%0.352CS..  trans-65.1140.7-178.2-61.4176000111.2F250 Q251 Y254 A294 E295F250-L256 HydrophobicContact CD1-CD1 3.65Å; F250-L256 HydrophobicContact CE1-CD1 3.36Å; F250-L256 HydrophobicContact CZ-CD1 4.25Å; Q251-L256 HydrophobicContact CG-CB 4.34Å; Q251-L256 PolarHBondContact O-N 2.83Å; Y254-L256 VanDerWaalsContact C-N 3.27Å; Y254-L256 PolarHBondContact O-N 2.9Å; L256-A294 HydrophobicContact CD1-CB 4.2Å; L256-E295 HydrophobicContact CD2-CB 4.4Å; L256-E295 VanDerWaalsContact CD2-CD 3.42Å; L256-E295 HydrophobicContact CD2-CG 4.1Å; L256-E295 WeakPolarHBondContact CD2-OE2 3.46Å
257K85.3Confident93Very high204 Ų20470.8 Ų70.889%0.88737%0.37SS*.  trans-99.4113.6178.6-69.4-178-179.9176.80110.7
258G85.4Confident93Very high53 Ų5370.5 Ų70.555%0.54637%0.368SS..SBendtrans94.9-179.5177.400000113.6Q251Q251-G258 PolarHBondContact NE2-O 3.03Å
259S87.6Confident93Very high111 Ų11169.8 Ų69.878%0.77636%0.358SS*.PPolyproline II helixtrans-71.7152.3-17953.20000112.6
260L91.5Very high93Very high16 Ų1669.1 Ų69.18%0.08436%0.355CS..PPolyproline II helixtrans-54146.1167.4-63.6179.8000111.3F243 A247 F250 A264 T265 L268 A294F243-L260 HydrophobicContact CE2-CD1 4.12Å; F243-L260 HydrophobicContact CZ-CD1 4.37Å; A247-L260 HydrophobicContact CB-CD1 3.9Å; F250-L260 HydrophobicContact CD1-CD2 4.07Å; F250-L260 HydrophobicContact CE1-CD2 4.1Å; L260-A264 HydrophobicContact CB-CB 4.05Å; L260-T265 PolarHBondContact O-OG1 3.38Å; L260-L268 HydrophobicContact CD1-CD2 3.92Å; L260-A294 HydrophobicContact CD2-CB 4.28Å
261S91.9Very high93.1Very high72 Ų7271.5 Ų71.550%0.50337%0.367SS..PPolyproline II helixtrans-64156.6174.475.50000111.1K263 A264 T265S261-K263 PolarHBondContact O-N 2.92Å; S261-K263 VanDerWaalsContact O-N 3.1Å; S261-A264 WeakPolarHBondContact O-CB 3.48Å; S261-A264 PolarHBondContact O-N 2.83Å; S261-A264 WeakPolarHBondContact OG-CB 3.43Å; S261-A264 PolarHBondContact OG-N 2.9Å; S261-T265 WeakPolarHBondContact O-CB 3.46Å; S261-T265 PolarHBondContact O-N 2.69Å; S261-T265 PolarHBondContact O-OG1 2.99Å; S261-T265 VanDerWaalsContact O-OG1 3.07Å
262S91.1Very high93.2Very high61 Ų6169 Ų6943%0.42736%0.355SS..Hα-helixtrans-55.8-34.3-180-44.10000113.3I62 L266I62-S262 WeakPolarHBondContact CD1-O 3.37Å; S262-L266 WeakPolarHBondContact O-CB 3.3Å; S262-L266 PolarHBondContact O-N 3Å; S262-L266 VanDerWaalsContact O-N 3.08Å
263K92.7Very high93.3Very high92 Ų9263.3 Ų63.340%0.433%0.328SS..Hα-helixtrans-69.5-44.4175.2-66.8-168.6173.5-173.10111.9V59 M60 I62 S261 L266 R267V59-K263 HydrophobicContact CG1-CB 4.42Å; V59-K263 WeakPolarHBondContact O-CD 3.38Å; V59-K263 WeakPolarHBondContact O-CE 3.48Å; V59-K263 WeakPolarHBondContact O-CG 3.48Å; M60-K263 PolarHBondContact O-NZ 2.89Å; I62-K263 HydrophobicContact CD1-CG 4.47Å; I62-K263 HydrophobicContact CG2-CG 4.32Å; S261-K263 PolarHBondContact O-N 2.92Å; S261-K263 VanDerWaalsContact O-N 3.1Å; K263-L266 PolarHBondContact O-N 3.24Å; K263-R267 WeakPolarHBondContact O-CG 3.42Å; K263-R267 PolarHBondContact O-N 3.37Å
264A94.1Very high93.4Very high2 Ų263.6 Ų63.62%0.01733%0.328CS..Hα-helixtrans-62.8-45.7175.900000111.8L260 S261 L266 R267 L268 L293L260-A264 HydrophobicContact CB-CB 4.05Å; S261-A264 WeakPolarHBondContact O-CB 3.48Å; S261-A264 PolarHBondContact O-N 2.83Å; S261-A264 WeakPolarHBondContact OG-CB 3.43Å; S261-A264 PolarHBondContact OG-N 2.9Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-L266 PolarHBondContact O-N 3.38Å; A264-R267 PolarHBondContact O-N 2.92Å; A264-L268 PolarHBondContact O-N 3.31Å; A264-L293 HydrophobicContact CB-CD1 3.86Å; A264-L293 WeakPolarHBondContact CB-O 3.36Å; A264-L293 WeakPolarHBondContact O-CD1 3.32Å
265T94.4Very high93.6Very high34 Ų3460.2 Ų60.221%0.20932%0.315CS..Hα-helixtrans-55.5-47.8174.6-61.40000111.6F243 L260 S261 L268 L269F243-T265 HydrophobicContact CE2-CG2 3.8Å; F243-T265 HydrophobicContact CZ-CG2 3.77Å; L260-T265 PolarHBondContact O-OG1 3.38Å; S261-T265 WeakPolarHBondContact O-CB 3.46Å; S261-T265 PolarHBondContact O-N 2.69Å; S261-T265 PolarHBondContact O-OG1 2.99Å; S261-T265 VanDerWaalsContact O-OG1 3.07Å; T265-L268 PolarHBondContact O-N 3.24Å; T265-L269 HydrophobicContact CG2-CD1 3.98Å; T265-L269 WeakPolarHBondContact O-CB 3.31Å; T265-L269 WeakPolarHBondContact O-CG 3.46Å; T265-L269 PolarHBondContact O-N 3.14Å
266L94.2Very high93.8Very high12 Ų1252.2 Ų52.26%0.06328%0.28CS..Hα-helixtrans-67.1-41179.3-179.260.3000112.7Q58 V59 I62 S262 K263 A264 L269 Q270Q58-L266 HydrophobicContact CB-CD2 4.34Å; Q58-L266 HydrophobicContact CG-CD2 3.68Å; V59-L266 HydrophobicContact CB-CD2 4.45Å; V59-L266 HydrophobicContact CG2-CD2 3.82Å; V59-L266 HydrophobicContact CG2-CG 4.1Å; I62-L266 HydrophobicContact CD1-CB 4.08Å; I62-L266 HydrophobicContact CD1-CD2 3.85Å; I62-L266 HydrophobicContact CG1-CD2 4.21Å; S262-L266 WeakPolarHBondContact O-CB 3.3Å; S262-L266 PolarHBondContact O-N 3Å; S262-L266 VanDerWaalsContact O-N 3.08Å; K263-L266 PolarHBondContact O-N 3.24Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-L266 PolarHBondContact O-N 3.38Å; L266-L269 PolarHBondContact O-N 2.8Å; L266-Q270 HydrophobicContact CD1-CG 4.4Å; L266-Q270 VanDerWaalsContact O-CG 3.28Å; L266-Q270 WeakPolarHBondContact O-CG 3.39Å; L266-Q270 PolarHBondContact O-N 3.14Å
267R95.5Very high94.1Very high102 Ų10256.7 Ų56.739%0.38530%0.298SS..Hα-helixtrans-59.1-48.9174-74.5176.4178.9173.2-2.4111.3V59 K263 A264 L269 Q270 E271 V290 S292V59-R267 HydrophobicContact CG1-CG 3.98Å; K263-R267 WeakPolarHBondContact O-CG 3.42Å; K263-R267 PolarHBondContact O-N 3.37Å; A264-R267 PolarHBondContact O-N 2.92Å; R267-L269 PolarHBondContact O-N 2.83Å; R267-Q270 PolarHBondContact O-N 3.39Å; R267-E271 PolarHBondContact O-N 2.91Å; R267-E271 VanDerWaalsContact O-N 3.16Å; R267-V290 HydrophobicContact CB-CG1 4.2Å; R267-S292 PolarHBondContact NH1-O 3.25Å
268L97Very high94.7Very high0 Ų049.6 Ų49.60%028%0.275CS..Hα-helixtrans-63.1-43.4179.2-177.656.1000111.7F243 F246 A247 L260 A264 T265 Q270 E271 C272 I288 V290 L293 L299F243-L268 HydrophobicContact CD2-CB 4.08Å; F243-L268 HydrophobicContact CD2-CD2 3.64Å; F243-L268 HydrophobicContact CD2-CG 3.77Å; F243-L268 HydrophobicContact CE2-CB 4.23Å; F243-L268 HydrophobicContact CE2-CD2 3.78Å; F243-L268 HydrophobicContact CE2-CG 4.22Å; F246-L268 HydrophobicContact CB-CD1 4.27Å; F246-L268 HydrophobicContact CB-CD2 4.43Å; A247-L268 HydrophobicContact CB-CD2 3.98Å; L260-L268 HydrophobicContact CD1-CD2 3.92Å; A264-L268 PolarHBondContact O-N 3.31Å; T265-L268 PolarHBondContact O-N 3.24Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 2.63Å; L268-E271 PolarHBondContact O-N 3.33Å; L268-C272 WeakPolarHBondContact O-CB 3.49Å; L268-C272 PolarHBondContact O-N 2.76Å; L268-C272 PolarHBondContact O-SG 2.84Å; L268-I288 HydrophobicContact CD1-CD1 4.2Å; L268-V290 HydrophobicContact CD1-CG2 3.99Å; L268-L293 HydrophobicContact CB-CD1 4.1Å; L268-L293 HydrophobicContact CD2-CD2 4.35Å; L268-L299 HydrophobicContact CD1-CD2 3.43Å; L268-L299 VanDerWaalsContact CD1-CD2 3.43Å
269L95.6Very high95.3Very high52 Ų5247.2 Ų47.227%0.27225%0.249SC..Hα-helixtrans-59.3-38175.4-78.8166.5000112.8D239 F243 T265 L266 R267 C272 E273D239-L269 HydrophobicContact CB-CD2 4.4Å; F243-L269 HydrophobicContact CB-CD2 3.72Å; F243-L269 HydrophobicContact CB-CG 4.4Å; F243-L269 HydrophobicContact CD2-CD2 4.15Å; F243-L269 HydrophobicContact CD2-CG 3.91Å; F243-L269 HydrophobicContact CG-CD2 3.95Å; F243-L269 HydrophobicContact CG-CG 4.22Å; T265-L269 HydrophobicContact CG2-CD1 3.98Å; T265-L269 WeakPolarHBondContact O-CB 3.31Å; T265-L269 WeakPolarHBondContact O-CG 3.46Å; T265-L269 PolarHBondContact O-N 3.14Å; L266-L269 PolarHBondContact O-N 2.8Å; R267-L269 PolarHBondContact O-N 2.83Å; L269-C272 PolarHBondContact O-N 2.74Å; L269-E273 PolarHBondContact O-N 2.85Å
270Q95.5Very high95.8Very high45 Ų4543.4 Ų43.421%0.2122%0.223CC..Hα-helixtrans-65.7-41.3176.6-72.9171.4-5.700112.1L266 R267 L268 E273 K274L266-Q270 HydrophobicContact CD1-CG 4.4Å; L266-Q270 VanDerWaalsContact O-CG 3.28Å; L266-Q270 WeakPolarHBondContact O-CG 3.39Å; L266-Q270 PolarHBondContact O-N 3.14Å; R267-Q270 PolarHBondContact O-N 3.39Å; L268-Q270 VanDerWaalsContact C-N 3.3Å; L268-Q270 PolarHBondContact O-N 2.63Å; Q270-E273 PolarHBondContact O-N 3.38Å; Q270-K274 WeakPolarHBondContact O-CG 3.25Å; Q270-K274 PolarHBondContact O-N 2.81Å; Q270-K274 VanDerWaalsContact O-N 3.12Å
271E97.7Very high96Very high50 Ų5046.5 Ų46.523%0.23425%0.25CS..Hα-helixtrans-72.9-32.5174.7-61.3-45.3125.100112.8R267 L268 K274 L275 I288 V290R267-E271 PolarHBondContact O-N 2.91Å; R267-E271 VanDerWaalsContact O-N 3.16Å; L268-E271 PolarHBondContact O-N 3.33Å; E271-K274 VanDerWaalsContact CD-NZ 3.34Å; E271-K274 PolarHBondContact O-N 3.07Å; E271-K274 WeakPolarHBondContact OE1-CE 3.36Å; E271-K274 IonicContact OE1-NZ 2.78Å; E271-K274 PolarHBondContact OE1-NZ 2.96Å; E271-K274 WeakPolarHBondContact OE2-CD 3.48Å; E271-K274 IonicContact OE2-NZ 3.54Å; E271-K274 PolarHBondContact OE2-NZ 3.19Å; E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 PolarHBondContact O-N 3.04Å; E271-I288 HydrophobicContact CB-CD1 4.13Å; E271-I288 HydrophobicContact CB-CG1 4.11Å; E271-V290 HydrophobicContact CB-CG2 4.06Å; E271-V290 HydrophobicContact CG-CG2 3.87Å
272C98.1Very high96.2Very high0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-61.6-42.1169.6-68.30000112L242 L268 L269 L275 K276L242-C272 HydrophobicContact CB-CB 3.84Å; L242-C272 HydrophobicContact CD1-CB 4.35Å; L242-C272 WeakPolarHBondContact CD1-O 3.4Å; L268-C272 WeakPolarHBondContact O-CB 3.49Å; L268-C272 PolarHBondContact O-N 2.76Å; L268-C272 PolarHBondContact O-SG 2.84Å; L269-C272 PolarHBondContact O-N 2.74Å; C272-L275 PolarHBondContact O-N 2.71Å; C272-K276 WeakPolarHBondContact O-CB 3.21Å; C272-K276 PolarHBondContact O-N 2.65Å
273E97.4Very high96.4Very high33 Ų3348 Ų4815%0.15426%0.255CS..Hα-helixtrans-62.7-42.9176.2-167.3-164.116600111.6D239 L269 Q270 K276 K277D239-E273 WeakPolarHBondContact OD1-CA 3.31Å; L269-E273 PolarHBondContact O-N 2.85Å; Q270-E273 PolarHBondContact O-N 3.38Å; E273-K276 PolarHBondContact O-N 3.44Å; E273-K277 WeakPolarHBondContact O-CG 3.45Å; E273-K277 PolarHBondContact O-N 3.33Å; E273-K277 VanDerWaalsContact O-N 3.08Å; E273-K277 WeakPolarHBondContact OE1-CE 3.37Å; E273-K277 IonicContact OE1-NZ 2.83Å; E273-K277 PolarHBondContact OE1-NZ 3.25Å
274K97.8Very high96.5Very high113 Ų11346.7 Ų46.749%0.49126%0.258SS..Hα-helixtrans-61.8-47.9174-73.6164.7171.1-179.90111.5Q270 E271 K276 K277 S278Q270-K274 WeakPolarHBondContact O-CG 3.25Å; Q270-K274 PolarHBondContact O-N 2.81Å; Q270-K274 VanDerWaalsContact O-N 3.12Å; E271-K274 VanDerWaalsContact CD-NZ 3.34Å; E271-K274 PolarHBondContact O-N 3.07Å; E271-K274 WeakPolarHBondContact OE1-CE 3.36Å; E271-K274 IonicContact OE1-NZ 2.78Å; E271-K274 PolarHBondContact OE1-NZ 2.96Å; E271-K274 WeakPolarHBondContact OE2-CD 3.48Å; E271-K274 IonicContact OE2-NZ 3.54Å; E271-K274 PolarHBondContact OE2-NZ 3.19Å; K274-K276 PolarHBondContact O-N 3.44Å; K274-K277 PolarHBondContact O-N 2.79Å; K274-S278 PolarHBondContact O-N 3.38Å; K274-S278 PolarHBondContact O-OG 3.45Å
275L98.3Very high96.6Very high6 Ų650.3 Ų50.33%0.03127%0.274CS..Hα-helixtrans-57.8-46.7177.6-177.270.3000111.4L242 F246 E271 C272 K277 S278 M279 L286 I288 M303L242-L275 HydrophobicContact CD1-CD2 4.49Å; L242-L275 HydrophobicContact CD2-CD2 4.34Å; F246-L275 HydrophobicContact CE2-CD2 3.7Å; F246-L275 HydrophobicContact CZ-CD2 3.94Å; E271-L275 WeakPolarHBondContact O-CB 3.47Å; E271-L275 PolarHBondContact O-N 3.04Å; C272-L275 PolarHBondContact O-N 2.71Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 2.87Å; L275-S278 PolarHBondContact O-N 2.85Å; L275-M279 HydrophobicContact CD2-CE 4.34Å; L275-M279 HydrophobicContact CG-CE 4.02Å; L275-M279 HydrophobicContact CG-CG 4.5Å; L275-M279 HydrophobicContact CG-SD 4.37Å; L275-M279 WeakPolarHBondContact O-CB 3.49Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.25Å; L275-L286 HydrophobicContact CD1-CB 3.81Å; L275-I288 HydrophobicContact CD2-CB 4.15Å; L275-I288 HydrophobicContact CD2-CD1 4.25Å; L275-I288 HydrophobicContact CD2-CG2 4.35Å; L275-M303 HydrophobicContact CD2-CB 4.2Å
276K98.2Very high96.8Very high12 Ų1250 Ų505%0.05227%0.271CS..Hα-helixtrans-56.8-44.8175.6-177.9-172.974.5-158.60112.4G235 F238 D239 L242 C272 E273 K274 S280 F308 M349G235-K276 PolarHBondContact O-NZ 2.88Å; F238-K276 HydrophobicContact CB-CD 3.7Å; D239-K276 WeakPolarHBondContact OD1-CD 3.32Å; D239-K276 VanDerWaalsContact OD1-CE 3.29Å; D239-K276 WeakPolarHBondContact OD1-CE 3.31Å; D239-K276 IonicContact OD1-NZ 2.68Å; D239-K276 PolarHBondContact OD1-NZ 3.36Å; D239-K276 IonicContact OD2-NZ 3.44Å; D239-K276 PolarHBondContact OD2-NZ 3.35Å; L242-K276 HydrophobicContact CD1-CB 3.97Å; C272-K276 WeakPolarHBondContact O-CB 3.21Å; C272-K276 PolarHBondContact O-N 2.65Å; E273-K276 PolarHBondContact O-N 3.44Å; K274-K276 PolarHBondContact O-N 3.44Å; K276-S280 PolarHBondContact O-N 2.65Å; K276-S280 VanDerWaalsContact O-N 3.15Å; K276-S280 PolarHBondContact O-OG 2.93Å; K276-F308 HydrophobicContact CD-CZ 4.44Å; K276-F308 HydrophobicContact CG-CE1 4.36Å; K276-F308 HydrophobicContact CG-CZ 3.89Å; K276-M349 HydrophobicContact CD-SD 3.94Å; K276-M349 HydrophobicContact CG-SD 3.91Å
277K97.9Very high97Very high120 Ų12053.5 Ų53.552%0.52229%0.294SS..Hα-helixtrans-63.1-47.3175.8-72.1171.4-176.2171.20111E273 K274 L275 M279 S280E273-K277 WeakPolarHBondContact O-CG 3.45Å; E273-K277 PolarHBondContact O-N 3.33Å; E273-K277 VanDerWaalsContact O-N 3.08Å; E273-K277 WeakPolarHBondContact OE1-CE 3.37Å; E273-K277 IonicContact OE1-NZ 2.83Å; E273-K277 PolarHBondContact OE1-NZ 3.25Å; K274-K277 PolarHBondContact O-N 2.79Å; L275-K277 VanDerWaalsContact C-N 3.35Å; L275-K277 PolarHBondContact O-N 2.87Å; K277-M279 PolarHBondContact O-N 3.33Å; K277-S280 VanDerWaalsContact O-CB 3.27Å; K277-S280 WeakPolarHBondContact O-CB 3.46Å; K277-S280 PolarHBondContact O-N 2.86Å
278S97.8Very high97.1Very high56 Ų5649 Ų4939%0.39228%0.278SS..Hα-helixtrans-63.6-38.3179-62.10000113.2K274 L275 S280 A281 N282K274-S278 PolarHBondContact O-N 3.38Å; K274-S278 PolarHBondContact O-OG 3.45Å; L275-S278 PolarHBondContact O-N 2.85Å; S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 2.9Å; S278-A281 PolarHBondContact O-N 3.42Å; S278-N282 PolarHBondContact O-N 3.02Å; S278-N282 PolarHBondContact O-ND2 3.32Å
279M97.8Very high97.1Very high2 Ų253.1 Ų53.11%0.0130%0.3CS..Hα-helixtrans-67.2-23.6172.8-73-171-59.500113L242 L275 K277 A281 N282 L286 M303 R305 F308L242-M279 HydrophobicContact CD1-CE 4.14Å; L242-M279 HydrophobicContact CD2-CE 4.25Å; L275-M279 HydrophobicContact CD2-CE 4.34Å; L275-M279 HydrophobicContact CG-CE 4.02Å; L275-M279 HydrophobicContact CG-CG 4.5Å; L275-M279 HydrophobicContact CG-SD 4.37Å; L275-M279 WeakPolarHBondContact O-CB 3.49Å; L275-M279 WeakPolarHBondContact O-CG 3.43Å; L275-M279 PolarHBondContact O-N 3.25Å; K277-M279 PolarHBondContact O-N 3.33Å; M279-A281 VanDerWaalsContact C-N 3.28Å; M279-A281 PolarHBondContact O-N 3.35Å; M279-N282 CarbonylContact C-O 3.46Å; M279-N282 WeakPolarHBondContact CA-O 3.34Å; M279-L286 HydrophobicContact CG-CD1 3.83Å; M279-M303 HydrophobicContact SD-CB 4.38Å; M279-M303 HydrophobicContact SD-CG 4.31Å; M279-R305 VanDerWaalsContact O-CZ 3.25Å; M279-R305 PolarHBondContact O-NE 3.47Å; M279-R305 PolarHBondContact O-NH2 3.35Å; M279-F308 HydrophobicContact CE-CB 3.66Å; M279-F308 HydrophobicContact CE-CD1 3.48Å; M279-F308 VanDerWaalsContact CE-CD1 3.48Å; M279-F308 HydrophobicContact CE-CD2 3.82Å; M279-F308 HydrophobicContact CE-CE1 4.01Å; M279-F308 HydrophobicContact CE-CE2 4.32Å; M279-F308 HydrophobicContact CE-CG 3.35Å; M279-F308 HydrophobicContact CE-CZ 4.41Å; M279-F308 HydrophobicContact SD-CB 3.79Å; M279-F308 HydrophobicContact SD-CD1 4.23Å; M279-F308 HydrophobicContact SD-CG 4.12Å
280S97.1Very high97.2Very high32 Ų3251.1 Ų51.122%0.22429%0.29CS..Hα-helixtrans-68.1-30.2175.3-57.30000112K276 K277 S278 R305K276-S280 PolarHBondContact O-N 2.65Å; K276-S280 VanDerWaalsContact O-N 3.15Å; K276-S280 PolarHBondContact O-OG 2.93Å; K277-S280 VanDerWaalsContact O-CB 3.27Å; K277-S280 WeakPolarHBondContact O-CB 3.46Å; K277-S280 PolarHBondContact O-N 2.86Å; S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 2.9Å; S280-R305 PolarHBondContact O-NH2 3.25Å
281A96.2Very high97.2Very high80 Ų8056.7 Ų56.766%0.66132%0.316SS*.Hα-helixtrans-88.8-49.6173.700000112.1S278 M279 R305S278-A281 PolarHBondContact O-N 3.42Å; M279-A281 VanDerWaalsContact C-N 3.28Å; M279-A281 PolarHBondContact O-N 3.35Å; A281-R305 PolarHBondContact O-NH2 2.88Å
282N96.6Very high97Very high77 Ų7757 Ų5741%0.41232%0.323SS..  trans-102.7138.4-171.2-53.2-79.2000112.4S278 M279 L286 R305S278-N282 PolarHBondContact O-N 3.02Å; S278-N282 PolarHBondContact O-ND2 3.32Å; M279-N282 CarbonylContact C-O 3.46Å; M279-N282 WeakPolarHBondContact CA-O 3.34Å; N282-L286 HydrophobicContact CB-CD1 4.29Å; N282-L286 HydrophobicContact CB-CD2 4.36Å; N282-R305 PolarHBondContact O-NE 3.05Å; N282-R305 PolarHBondContact O-NH2 3.12Å
283S94.5Very high96.9Very high87 Ų8757.2 Ų57.261%0.60832%0.324SS*.  trans-95.4-14.1176.752.20000113.8
284S95Very high96.7Very high66 Ų6656.8 Ų56.846%0.46233%0.326SS..SBendtrans-66.3170177.657.70000112.4L286S284-L286 PolarHBondContact O-N 3.49Å
285E97Very high96.3Very high77 Ų7758.4 Ų58.436%0.3634%0.336SS..  trans-66.7129.4169.4-164.6166.9-112.600109.7K302 K304E285-K302 HydrophobicContact CG-CB 4Å; E285-K302 HydrophobicContact CG-CD 3.91Å; E285-K302 HydrophobicContact CG-CG 3.95Å; E285-K302 WeakPolarHBondContact OE1-CE 3.49Å; E285-K302 IonicContact OE1-NZ 3.27Å; E285-K302 PolarHBondContact OE1-NZ 3.37Å; E285-K302 WeakPolarHBondContact OE2-CD 3.39Å; E285-K302 VanDerWaalsContact OE2-CE 3.32Å; E285-K302 WeakPolarHBondContact OE2-CE 3.42Å; E285-K302 IonicContact OE2-NZ 2.68Å; E285-K302 PolarHBondContact OE2-NZ 3.35Å; E285-K304 HydrophobicContact CB-CD 4.39Å; E285-K304 HydrophobicContact CB-CG 3.65Å; E285-K304 HydrophobicContact CG-CG 3.92Å; E285-K304 VanDerWaalsContact OE1-CE 3.26Å; E285-K304 WeakPolarHBondContact OE1-CE 3.39Å; E285-K304 IonicContact OE1-NZ 2.72Å
286L98.1Very high96.1Very high29 Ų2964.7 Ų64.715%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-120.6141.5-179.2-67.2178.1000110.5L275 M279 N282 S284 K302 M303L275-L286 HydrophobicContact CD1-CB 3.81Å; M279-L286 HydrophobicContact CG-CD1 3.83Å; N282-L286 HydrophobicContact CB-CD1 4.29Å; N282-L286 HydrophobicContact CB-CD2 4.36Å; S284-L286 PolarHBondContact O-N 3.49Å; L286-K302 CarbonylContact O-C 3.55Å; L286-K302 WeakPolarHBondContact O-CA 3.24Å; L286-M303 PolarHBondContact N-O 2.97Å; L286-M303 PolarHBondContact O-N 3.22Å
287P97.7Very high95.9Very high85 Ų8570.4 Ų70.455%0.55239%0.391SS*.EExtended strand (participates in β ladder)trans-76.2153.8177.132.6-35.2000112.1N301P287-N301 CarbonylContact C-O 3.43Å; P287-N301 WeakPolarHBondContact CA-O 3.45Å
288I98.1Very high95.8Very high6 Ų668.1 Ų68.13%0.03138%0.384CS..EExtended strand (participates in β ladder)trans-129.3118.9161.3-178.8169.6000108.4F246 L268 E271 L275 N301F246-I288 HydrophobicContact CD1-CG2 4.14Å; F246-I288 HydrophobicContact CD2-CD1 3.8Å; F246-I288 HydrophobicContact CD2-CG2 4.28Å; F246-I288 HydrophobicContact CE1-CG2 3.75Å; F246-I288 HydrophobicContact CE2-CD1 3.91Å; F246-I288 HydrophobicContact CE2-CG2 3.91Å; F246-I288 HydrophobicContact CG-CG2 4.39Å; F246-I288 HydrophobicContact CZ-CG2 3.63Å; L268-I288 HydrophobicContact CD1-CD1 4.2Å; E271-I288 HydrophobicContact CB-CD1 4.13Å; E271-I288 HydrophobicContact CB-CG1 4.11Å; L275-I288 HydrophobicContact CD2-CB 4.15Å; L275-I288 HydrophobicContact CD2-CD1 4.25Å; L275-I288 HydrophobicContact CD2-CG2 4.35Å; I288-N301 HydrophobicContact CG2-CB 3.98Å; I288-N301 PolarHBondContact N-O 2.83Å; I288-N301 PolarHBondContact O-N 2.89Å
289N97.4Very high95.8Very high87 Ų8765.5 Ų65.547%0.46537%0.366SS..EExtended strand (participates in β ladder)trans-125.7131.8-175.7-59-21.3000109L299N289-L299 CarbonylContact C-O 3.54Å; N289-L299 WeakPolarHBondContact CA-O 3.39Å
290V96.9Very high95.8Very high10 Ų1070.1 Ų70.16%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-136.6107.5174.2-164.80000108.9R267 L268 E271 L293 D298 L299R267-V290 HydrophobicContact CB-CG1 4.2Å; L268-V290 HydrophobicContact CD1-CG2 3.99Å; E271-V290 HydrophobicContact CB-CG2 4.06Å; E271-V290 HydrophobicContact CG-CG2 3.87Å; V290-L293 HydrophobicContact CB-CB 4.36Å; V290-L293 HydrophobicContact CG1-CB 4.24Å; V290-L293 HydrophobicContact CG1-CD1 4.07Å; V290-D298 WeakPolarHBondContact O-CA 3.37Å; V290-L299 HydrophobicContact CB-CB 4.17Å; V290-L299 HydrophobicContact CG2-CB 4.36Å; V290-L299 HydrophobicContact CG2-CD2 4.07Å; V290-L299 PolarHBondContact N-O 2.92Å; V290-L299 PolarHBondContact O-N 3.36Å
291E95.7Very high95.8Very high163 Ų16370.6 Ų70.676%0.76239%0.394SS*.EExtended strand (participates in β ladder)trans-68138.4177.3-64.9175.8-174.400111.4L293 D298E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3.34Å; E291-D298 VanDerWaalsContact CA-OD1 3.3Å; E291-D298 WeakPolarHBondContact CA-OD1 3.49Å
292S94.2Very high95.8Very high55 Ų5572 Ų7239%0.38539%0.385SS..EExtended strand (participates in β ladder)trans43.255.4178.3-63.80000113.1R267 D298R267-S292 PolarHBondContact NH1-O 3.25Å; S292-D298 PolarHBondContact N-OD1 2.93Å
293L94.5Very high95.9Very high5 Ų568.5 Ų68.53%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-68.3-46.3-178.417760.2000111.3F250 A264 L268 V290 E291 R297 L299F250-L293 HydrophobicContact CD1-CD2 3.78Å; F250-L293 HydrophobicContact CD1-CG 4.38Å; F250-L293 HydrophobicContact CD2-CD2 4.16Å; F250-L293 HydrophobicContact CE1-CB 4.17Å; F250-L293 HydrophobicContact CE1-CD2 3.75Å; F250-L293 HydrophobicContact CE1-CG 3.88Å; F250-L293 HydrophobicContact CE2-CB 4.3Å; F250-L293 HydrophobicContact CE2-CD2 4.16Å; F250-L293 HydrophobicContact CG-CD2 3.97Å; F250-L293 HydrophobicContact CZ-CB 3.8Å; F250-L293 HydrophobicContact CZ-CD2 3.96Å; F250-L293 HydrophobicContact CZ-CG 4.03Å; A264-L293 HydrophobicContact CB-CD1 3.86Å; A264-L293 WeakPolarHBondContact CB-O 3.36Å; A264-L293 WeakPolarHBondContact O-CD1 3.32Å; L268-L293 HydrophobicContact CB-CD1 4.1Å; L268-L293 HydrophobicContact CD2-CD2 4.35Å; V290-L293 HydrophobicContact CB-CB 4.36Å; V290-L293 HydrophobicContact CG1-CB 4.24Å; V290-L293 HydrophobicContact CG1-CD1 4.07Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3.34Å; L293-R297 PolarHBondContact N-O 2.97Å; L293-L299 HydrophobicContact CD2-CB 3.81Å; L293-L299 HydrophobicContact CD2-CD2 4.21Å
294A93.3Very high96Very high24 Ų2468.3 Ų68.320%0.19836%0.355CS..EExtended strand (participates in β ladder)trans-156149.1169.100000110.8F250 L256 L260 D296 R297F250-A294 HydrophobicContact CE1-CB 3.96Å; F250-A294 HydrophobicContact CZ-CB 4.41Å; L256-A294 HydrophobicContact CD1-CB 4.2Å; L260-A294 HydrophobicContact CD2-CB 4.28Å; A294-D296 PolarHBondContact O-N 3.1Å; A294-D296 VanDerWaalsContact O-N 3.16Å; A294-R297 WeakPolarHBondContact O-CB 3.32Å; A294-R297 PolarHBondContact O-N 3.45Å
295E90.7Very high96.1Very high147 Ų14767.3 Ų67.369%0.68734%0.341SS*.THydrogen-bonded Turntrans49.639.5177.3-59.3-176.7-16600113.7L256 R297L256-E295 HydrophobicContact CD2-CB 4.4Å; L256-E295 VanDerWaalsContact CD2-CD 3.42Å; L256-E295 HydrophobicContact CD2-CG 4.1Å; L256-E295 WeakPolarHBondContact CD2-OE2 3.46Å; E295-R297 WeakPolarHBondContact O-CG 3.35Å; E295-R297 PolarHBondContact O-N 3Å
296D92.4Very high96.1Very high139 Ų13967.8 Ų67.874%0.74335%0.349SS*.THydrogen-bonded Turntrans51.934.2-175.5-51.7-40.4000113.5A294A294-D296 PolarHBondContact O-N 3.1Å; A294-D296 VanDerWaalsContact O-N 3.16Å
297R94.7Very high96.1Very high132 Ų13269.6 Ų69.650%0.49836%0.359SS..EExtended strand (participates in β ladder)trans-108.7134.9172.4-53.6-53.5-174.6168-0.4111.3F250 Y254 L293 A294 E295F250-R297 HydrophobicContact CE2-CB 4.06Å; F250-R297 HydrophobicContact CZ-CB 3.91Å; Y254-R297 HydrophobicContact CD1-CB 4.15Å; Y254-R297 HydrophobicContact CD1-CG 3.74Å; Y254-R297 HydrophobicContact CD2-CB 4.27Å; Y254-R297 HydrophobicContact CE1-CB 4.08Å; Y254-R297 HydrophobicContact CE1-CG 3.98Å; Y254-R297 HydrophobicContact CE2-CB 4.23Å; Y254-R297 HydrophobicContact CG-CB 4.24Å; Y254-R297 HydrophobicContact CG-CG 4.07Å; L293-R297 PolarHBondContact N-O 2.97Å; A294-R297 WeakPolarHBondContact O-CB 3.32Å; A294-R297 PolarHBondContact O-N 3.45Å; E295-R297 WeakPolarHBondContact O-CG 3.35Å; E295-R297 PolarHBondContact O-N 3Å
298D96.5Very high96.1Very high72 Ų7265.8 Ų65.839%0.38533%0.334SS..EExtended strand (participates in β ladder)trans-86141.2174.4-48.4-42.9000110.8Y254 V290 E291 S292Y254-D298 PolarHBondContact OH-O 3.12Å; V290-D298 WeakPolarHBondContact O-CA 3.37Å; E291-D298 VanDerWaalsContact CA-OD1 3.3Å; E291-D298 WeakPolarHBondContact CA-OD1 3.49Å; S292-D298 PolarHBondContact N-OD1 2.93Å
299L97.5Very high96.1Very high1 Ų167.8 Ų67.81%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-86.2124160.5171.364.5000108F246 F250 L268 N289 V290 L293 N301F246-L299 HydrophobicContact CB-CD2 3.98Å; F250-L299 HydrophobicContact CB-CD1 4.24Å; F250-L299 HydrophobicContact CD2-CB 3.93Å; F250-L299 HydrophobicContact CD2-CD1 4.15Å; F250-L299 HydrophobicContact CE2-CB 4.22Å; L268-L299 HydrophobicContact CD1-CD2 3.43Å; L268-L299 VanDerWaalsContact CD1-CD2 3.43Å; N289-L299 CarbonylContact C-O 3.54Å; N289-L299 WeakPolarHBondContact CA-O 3.39Å; V290-L299 HydrophobicContact CB-CB 4.17Å; V290-L299 HydrophobicContact CG2-CB 4.36Å; V290-L299 HydrophobicContact CG2-CD2 4.07Å; V290-L299 PolarHBondContact N-O 2.92Å; V290-L299 PolarHBondContact O-N 3.36Å; L293-L299 HydrophobicContact CD2-CB 3.81Å; L293-L299 HydrophobicContact CD2-CD2 4.21Å; L299-N301 HydrophobicContact CD1-CB 4.09Å
300T97.1Very high96.1Very high99 Ų9970.7 Ų70.761%0.60735%0.354SS*.EExtended strand (participates in β ladder)trans-133.7109.7171.1-65.10000108
301N97.1Very high96.2Very high41 Ų4173 Ų7322%0.21937%0.365CS..EExtended strand (participates in β ladder)trans-148.8-175.5-175.5-154.4-24.1000110.4F246 E249 P287 I288 L299F246-N301 HydrophobicContact CD1-CB 4.18Å; F246-N301 HydrophobicContact CE1-CB 4.13Å; E249-N301 PolarHBondContact OE2-ND2 3.03Å; P287-N301 CarbonylContact C-O 3.43Å; P287-N301 WeakPolarHBondContact CA-O 3.45Å; I288-N301 HydrophobicContact CG2-CB 3.98Å; I288-N301 PolarHBondContact N-O 2.83Å; I288-N301 PolarHBondContact O-N 2.89Å; L299-N301 HydrophobicContact CD1-CB 4.09Å
302K97.7Very high96.3Very high109 Ų10965.2 Ų65.247%0.47433%0.329SS..EExtended strand (participates in β ladder)trans-152.2158.2-176.167.2-168.2-167.7156.30112.3E285 L286E285-K302 HydrophobicContact CG-CB 4Å; E285-K302 HydrophobicContact CG-CD 3.91Å; E285-K302 HydrophobicContact CG-CG 3.95Å; E285-K302 WeakPolarHBondContact OE1-CE 3.49Å; E285-K302 IonicContact OE1-NZ 3.27Å; E285-K302 PolarHBondContact OE1-NZ 3.37Å; E285-K302 WeakPolarHBondContact OE2-CD 3.39Å; E285-K302 VanDerWaalsContact OE2-CE 3.32Å; E285-K302 WeakPolarHBondContact OE2-CE 3.42Å; E285-K302 IonicContact OE2-NZ 2.68Å; E285-K302 PolarHBondContact OE2-NZ 3.35Å; L286-K302 CarbonylContact O-C 3.55Å; L286-K302 WeakPolarHBondContact O-CA 3.24Å
303M97.7Very high96.5Very high5 Ų565.5 Ų65.53%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-151147.5176.6-161.4156.4-161.600112.4L242 K245 F246 L275 M279 L286 D307 F308 L311L242-M303 HydrophobicContact CD2-CE 4.34Å; L242-M303 HydrophobicContact CD2-SD 3.4Å; L242-M303 WeakPolarHBondContact CD2-SD 3.49Å; K245-M303 HydrophobicContact CD-CE 3.77Å; K245-M303 HydrophobicContact CD-SD 4.11Å; F246-M303 HydrophobicContact CE2-SD 4.37Å; F246-M303 HydrophobicContact CZ-CB 4.13Å; F246-M303 HydrophobicContact CZ-SD 3.88Å; L275-M303 HydrophobicContact CD2-CB 4.2Å; M279-M303 HydrophobicContact SD-CB 4.38Å; M279-M303 HydrophobicContact SD-CG 4.31Å; L286-M303 PolarHBondContact N-O 2.97Å; L286-M303 PolarHBondContact O-N 3.22Å; M303-D307 HydrophobicContact CE-CB 4.09Å; M303-F308 HydrophobicContact CE-CB 3.98Å; M303-F308 HydrophobicContact CG-CB 4.46Å; M303-F308 HydrophobicContact SD-CB 4.22Å; M303-L311 HydrophobicContact CE-CB 4.47Å; M303-L311 HydrophobicContact CE-CD2 3.89Å
304K96.7Very high96.7Very high82 Ų8268.5 Ų68.536%0.35735%0.348SS..  trans-100.2156169.6-66.9168.7-177.31670110.5E285 T306 D307 F308E285-K304 HydrophobicContact CB-CD 4.39Å; E285-K304 HydrophobicContact CB-CG 3.65Å; E285-K304 HydrophobicContact CG-CG 3.92Å; E285-K304 VanDerWaalsContact OE1-CE 3.26Å; E285-K304 WeakPolarHBondContact OE1-CE 3.39Å; E285-K304 IonicContact OE1-NZ 2.72Å; K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.2Å; K304-D307 PolarHBondContact O-N 2.98Å; K304-F308 PolarHBondContact O-N 2.94Å
305R97.6Very high96.9Very high46 Ų4667.7 Ų67.717%0.17434%0.34CS..Hα-helixtrans-54.5-45.1175.2-178.5-172.1-63.8171.6-4112.1M279 S280 A281 N282 D307 F308 E309M279-R305 VanDerWaalsContact O-CZ 3.25Å; M279-R305 PolarHBondContact O-NE 3.47Å; M279-R305 PolarHBondContact O-NH2 3.35Å; S280-R305 PolarHBondContact O-NH2 3.25Å; A281-R305 PolarHBondContact O-NH2 2.88Å; N282-R305 PolarHBondContact O-NE 3.05Å; N282-R305 PolarHBondContact O-NH2 3.12Å; R305-D307 VanDerWaalsContact C-N 3.33Å; R305-D307 PolarHBondContact O-N 3.46Å; R305-F308 WeakPolarHBondContact O-CB 3.34Å; R305-F308 PolarHBondContact O-N 2.82Å; R305-E309 HydrophobicContact CG-CG 4.18Å; R305-E309 WeakPolarHBondContact O-CG 3.47Å; R305-E309 PolarHBondContact O-N 2.94Å
306T97.2Very high97.3Very high87 Ų8762.2 Ų62.253%0.53432%0.316SS..Hα-helixtrans-54.5-48.8-179.442.90000112.1K304 F308 E309 E310K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.2Å; T306-F308 VanDerWaalsContact C-N 3.25Å; T306-F308 PolarHBondContact O-N 2.98Å; T306-E309 PolarHBondContact O-N 3.08Å; T306-E310 PolarHBondContact O-N 2.9Å
307D97.3Very high97.6Very high67 Ų6761.5 Ų61.536%0.35831%0.308SS..Hα-helixtrans-70.1-29.1-175.2-38.7-9.4000110.4M303 K304 R305 L311M303-D307 HydrophobicContact CE-CB 4.09Å; K304-D307 PolarHBondContact O-N 2.98Å; R305-D307 VanDerWaalsContact C-N 3.33Å; R305-D307 PolarHBondContact O-N 3.46Å; D307-L311 VanDerWaalsContact O-CB 3.27Å; D307-L311 WeakPolarHBondContact O-CB 3.47Å; D307-L311 PolarHBondContact O-N 3.38Å
308F98.3Very high97.8Very high4 Ų459.3 Ų59.32%0.01830%0.3CS..Hα-helixtrans-75.4-39.6174.6164.7-114.6000112.2F238 L242 K276 M279 M303 K304 R305 T306 L311 C312 M349 M351F238-F308 HydrophobicContact CB-CE2 4.12Å; F238-F308 HydrophobicContact CB-CZ 3.95Å; F238-F308 HydrophobicContact CD1-CE2 4.24Å; F238-F308 AromaticContact CD1-CZ 3.88Å; F238-F308 HydrophobicContact CD1-CZ 3.88Å; F238-F308 HydrophobicContact CG-CZ 4.28Å; L242-F308 HydrophobicContact CD1-CD2 4.2Å; L242-F308 HydrophobicContact CD1-CE2 3.93Å; L242-F308 HydrophobicContact CD2-CD2 3.59Å; L242-F308 HydrophobicContact CD2-CE2 4.1Å; L242-F308 HydrophobicContact CD2-CG 4.45Å; L242-F308 HydrophobicContact CG-CD2 3.92Å; L242-F308 HydrophobicContact CG-CE2 3.88Å; K276-F308 HydrophobicContact CD-CZ 4.44Å; K276-F308 HydrophobicContact CG-CE1 4.36Å; K276-F308 HydrophobicContact CG-CZ 3.89Å; M279-F308 HydrophobicContact CE-CB 3.66Å; M279-F308 HydrophobicContact CE-CD1 3.48Å; M279-F308 VanDerWaalsContact CE-CD1 3.48Å; M279-F308 HydrophobicContact CE-CD2 3.82Å; M279-F308 HydrophobicContact CE-CE1 4.01Å; M279-F308 HydrophobicContact CE-CE2 4.32Å; M279-F308 HydrophobicContact CE-CG 3.35Å; M279-F308 HydrophobicContact CE-CZ 4.41Å; M279-F308 HydrophobicContact SD-CB 3.79Å; M279-F308 HydrophobicContact SD-CD1 4.23Å; M279-F308 HydrophobicContact SD-CG 4.12Å; M303-F308 HydrophobicContact CE-CB 3.98Å; M303-F308 HydrophobicContact CG-CB 4.46Å; M303-F308 HydrophobicContact SD-CB 4.22Å; K304-F308 PolarHBondContact O-N 2.94Å; R305-F308 WeakPolarHBondContact O-CB 3.34Å; R305-F308 PolarHBondContact O-N 2.82Å; T306-F308 VanDerWaalsContact C-N 3.25Å; T306-F308 PolarHBondContact O-N 2.98Å; F308-L311 PolarHBondContact O-N 3.02Å; F308-C312 WeakPolarHBondContact CE2-SG 3.5Å; F308-C312 WeakPolarHBondContact O-CB 3.48Å; F308-C312 PolarHBondContact O-N 3.23Å; F308-C312 PolarHBondContact O-SG 2.96Å; F308-M349 HydrophobicContact CE1-SD 4.44Å; F308-M349 HydrophobicContact CZ-SD 4.38Å; F308-M351 HydrophobicContact CD1-CE 4.29Å; F308-M351 HydrophobicContact CE1-CE 3.4Å; F308-M351 VanDerWaalsContact CE1-CE 3.4Å; F308-M351 HydrophobicContact CZ-CE 3.62Å
309E98Very high97.9Very high48 Ų4855.9 Ų55.922%0.22428%0.282CS..Hα-helixtrans-65.8-39.8174.7-68.7-179.5158.300110.8R305 T306 C312 S313 M351R305-E309 HydrophobicContact CG-CG 4.18Å; R305-E309 WeakPolarHBondContact O-CG 3.47Å; R305-E309 PolarHBondContact O-N 2.94Å; T306-E309 PolarHBondContact O-N 3.08Å; E309-C312 CarbonylContact O-C 3.58Å; E309-C312 PolarHBondContact O-N 2.64Å; E309-S313 PolarHBondContact O-N 2.71Å; E309-M351 HydrophobicContact CB-SD 4.47Å; E309-M351 HydrophobicContact CG-CB 3.96Å; E309-M351 HydrophobicContact CG-CG 4.17Å; E309-M351 HydrophobicContact CG-SD 3.98Å; E309-M351 PolarHBondContact OE1-N 3.31Å
310E98Very high97.9Very high149 Ų14959.9 Ų59.970%0.69630%0.301SS*.Hα-helixtrans-62.4-47.8172.4-174.4176.7-17400112.2T306 C312 S313T306-E310 PolarHBondContact O-N 2.9Å; E310-C312 PolarHBondContact O-N 3.38Å; E310-C312 VanDerWaalsContact O-N 3.11Å; E310-S313 WeakPolarHBondContact O-CB 3.41Å; E310-S313 PolarHBondContact O-N 2.76Å; E310-S313 PolarHBondContact O-OG 3.5Å
311L98.4Very high98Very high57 Ų5761 Ų6130%0.29830%0.3SS..Hα-helixtrans-57.4-25.6176.5178.464.1000113.4K241 K245 M303 D307 F308K241-L311 HydrophobicContact CB-CD2 4.27Å; K241-L311 HydrophobicContact CB-CG 4.29Å; K245-L311 HydrophobicContact CB-CD2 4.27Å; K245-L311 HydrophobicContact CD-CD2 4.02Å; M303-L311 HydrophobicContact CE-CB 4.47Å; M303-L311 HydrophobicContact CE-CD2 3.89Å; D307-L311 VanDerWaalsContact O-CB 3.27Å; D307-L311 WeakPolarHBondContact O-CB 3.47Å; D307-L311 PolarHBondContact O-N 3.38Å; F308-L311 PolarHBondContact O-N 3.02Å
312C98.4Very high98Very high0 Ų059.8 Ų59.80%029%0.294CS..THydrogen-bonded Turntrans-109.213.6-176-570000113.8F238 F308 E309 E310 D314 L315 V316 M351F238-C312 HydrophobicContact CD1-CB 3.75Å; F238-C312 HydrophobicContact CE1-CB 3.75Å; F308-C312 WeakPolarHBondContact CE2-SG 3.5Å; F308-C312 WeakPolarHBondContact O-CB 3.48Å; F308-C312 PolarHBondContact O-N 3.23Å; F308-C312 PolarHBondContact O-SG 2.96Å; E309-C312 CarbonylContact O-C 3.58Å; E309-C312 PolarHBondContact O-N 2.64Å; E310-C312 PolarHBondContact O-N 3.38Å; E310-C312 VanDerWaalsContact O-N 3.11Å; C312-D314 VanDerWaalsContact C-N 3.29Å; C312-D314 PolarHBondContact O-N 3.09Å; C312-L315 HydrophobicContact CB-CD1 4.33Å; C312-L315 WeakPolarHBondContact O-CA 3.29Å; C312-L315 WeakPolarHBondContact O-CB 3.48Å; C312-L315 PolarHBondContact O-N 2.89Å; C312-V316 WeakPolarHBondContact O-CG2 3.39Å; C312-V316 PolarHBondContact O-N 3.16Å; C312-M351 HydrophobicContact CB-SD 4.41Å
313S98.1Very high98Very high62 Ų6254.6 Ų54.643%0.43427%0.271SS..Hα-helixtrans-50.6-42.3179.543.30000114E309 E310 L315 V316 E317E309-S313 PolarHBondContact O-N 2.71Å; E310-S313 WeakPolarHBondContact O-CB 3.41Å; E310-S313 PolarHBondContact O-N 2.76Å; E310-S313 PolarHBondContact O-OG 3.5Å; S313-L315 VanDerWaalsContact C-N 3.3Å; S313-L315 PolarHBondContact O-N 3Å; S313-V316 WeakPolarHBondContact O-CB 3.36Å; S313-V316 PolarHBondContact O-N 2.78Å; S313-V316 VanDerWaalsContact O-N 3.14Å; S313-E317 PolarHBondContact O-N 3.2Å
314D98.3Very high98.1Very high68 Ų6857 Ų5736%0.36429%0.286SS..Hα-helixtrans-63.6-30.5175.466.4-50.7000113.8K241 C312 R318K241-D314 WeakPolarHBondContact CE-OD1 3.25Å; K241-D314 WeakPolarHBondContact CE-OD2 3.39Å; K241-D314 IonicContact NZ-OD1 2.7Å; K241-D314 PolarHBondContact NZ-OD1 2.81Å; K241-D314 IonicContact NZ-OD2 2.64Å; K241-D314 PolarHBondContact NZ-OD2 3.35Å; C312-D314 VanDerWaalsContact C-N 3.29Å; C312-D314 PolarHBondContact O-N 3.09Å; D314-R318 PolarHBondContact O-N 3.14Å
315L98.4Very high98.1Very high7 Ų758.4 Ų58.44%0.03729%0.292CS..Hα-helixtrans-73.5-43.1172.7-56.9-177.8000110L233 N237 F238 K241 C312 S313 E317 R318 F319L233-L315 HydrophobicContact CD1-CB 4.32Å; L233-L315 HydrophobicContact CD1-CD2 4Å; N237-L315 HydrophobicContact CB-CD1 3.88Å; N237-L315 HydrophobicContact CB-CD2 4.23Å; F238-L315 HydrophobicContact CD1-CD1 3.79Å; F238-L315 HydrophobicContact CD2-CD1 4.38Å; F238-L315 HydrophobicContact CE1-CB 4.05Å; F238-L315 HydrophobicContact CE1-CD1 3.85Å; F238-L315 HydrophobicContact CE2-CD1 4.45Å; F238-L315 HydrophobicContact CG-CD1 4.08Å; F238-L315 HydrophobicContact CZ-CB 4.13Å; F238-L315 HydrophobicContact CZ-CD1 4.23Å; K241-L315 HydrophobicContact CG-CD1 4.01Å; C312-L315 HydrophobicContact CB-CD1 4.33Å; C312-L315 WeakPolarHBondContact O-CA 3.29Å; C312-L315 WeakPolarHBondContact O-CB 3.48Å; C312-L315 PolarHBondContact O-N 2.89Å; S313-L315 VanDerWaalsContact C-N 3.3Å; S313-L315 PolarHBondContact O-N 3Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 2.77Å; L315-R318 WeakPolarHBondContact O-CB 3.47Å; L315-R318 PolarHBondContact O-N 3.19Å; L315-R318 VanDerWaalsContact O-N 3.1Å; L315-F319 HydrophobicContact CB-CE2 4.4Å; L315-F319 WeakPolarHBondContact O-CD2 3.45Å; L315-F319 PolarHBondContact O-N 2.77Å; L315-F319 VanDerWaalsContact O-N 3.11Å
316V98.3Very high98.1Very high31 Ų3156.2 Ų56.219%0.18828%0.284CS..Hα-helixtrans-57.4-44.2177.9174.80000111.4C312 S313 R318 F319 Q320 M351 V355C312-V316 WeakPolarHBondContact O-CG2 3.39Å; C312-V316 PolarHBondContact O-N 3.16Å; S313-V316 WeakPolarHBondContact O-CB 3.36Å; S313-V316 PolarHBondContact O-N 2.78Å; S313-V316 VanDerWaalsContact O-N 3.14Å; V316-R318 VanDerWaalsContact C-N 3.34Å; V316-R318 PolarHBondContact O-N 2.99Å; V316-F319 WeakPolarHBondContact O-CB 3.44Å; V316-F319 PolarHBondContact O-N 3.15Å; V316-Q320 PolarHBondContact O-N 2.9Å; V316-Q320 VanDerWaalsContact O-N 3.08Å; V316-M351 HydrophobicContact CG2-CB 4.21Å; V316-M351 HydrophobicContact CG2-CG 4.36Å; V316-M351 HydrophobicContact CG2-SD 3.79Å; V316-V355 HydrophobicContact CG1-CG2 3.52Å
317E98.4Very high98.2Very high125 Ų12552.5 Ų52.558%0.58426%0.261SS*.Hα-helixtrans-59.4-40.9174-72.2180-178.700112.6S313 L315 F319 Q320 M321S313-E317 PolarHBondContact O-N 3.2Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 2.77Å; E317-F319 PolarHBondContact O-N 3.15Å; E317-Q320 PolarHBondContact O-N 2.79Å; E317-M321 WeakPolarHBondContact O-CG 3.38Å; E317-M321 PolarHBondContact O-N 3.05Å
318R98.2Very high98.2Very high85 Ų8554.6 Ų54.632%0.32127%0.272SS..Hα-helixtrans-64-37.3176.1-72.817663.3-174.70.3112.8D230 L233 D314 L315 V316 M321 L322D230-R318 VanDerWaalsContact CG-NH2 3.32Å; D230-R318 IonicContact OD1-NH2 2.71Å; D230-R318 PolarHBondContact OD1-NH2 2.72Å; D230-R318 IonicContact OD2-CZ 2.89Å; D230-R318 IonicContact OD2-NE 2.85Å; D230-R318 PolarHBondContact OD2-NE 3.36Å; D230-R318 IonicContact OD2-NH2 3.21Å; D230-R318 PolarHBondContact OD2-NH2 2.88Å; L233-R318 HydrophobicContact CD2-CB 3.93Å; D314-R318 PolarHBondContact O-N 3.14Å; L315-R318 WeakPolarHBondContact O-CB 3.47Å; L315-R318 PolarHBondContact O-N 3.19Å; L315-R318 VanDerWaalsContact O-N 3.1Å; V316-R318 VanDerWaalsContact C-N 3.34Å; V316-R318 PolarHBondContact O-N 2.99Å; R318-M321 HydrophobicContact CG-CE 4.01Å; R318-L322 WeakPolarHBondContact O-CB 3.3Å; R318-L322 PolarHBondContact O-N 2.73Å
319F98.6Very high98.2Very high0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-61.7-47.8171.4-71.6-77.1000111.1I205 T210 L233 F238 L315 V316 E317 M321 L322 F323 I352 V355I205-F319 HydrophobicContact CD1-CD1 4.01Å; I205-F319 HydrophobicContact CD1-CE1 3.72Å; I205-F319 HydrophobicContact CG1-CE1 4.47Å; I205-F319 HydrophobicContact CG2-CE1 3.8Å; I205-F319 HydrophobicContact CG2-CZ 4.14Å; T210-F319 HydrophobicContact CG2-CD1 3.81Å; T210-F319 HydrophobicContact CG2-CE1 3.59Å; T210-F319 VanDerWaalsContact OG1-CE1 3.26Å; T210-F319 WeakPolarHBondContact OG1-CE1 3.38Å; L233-F319 HydrophobicContact CD1-CE2 3.73Å; L233-F319 HydrophobicContact CD1-CZ 3.86Å; L233-F319 HydrophobicContact CD2-CD1 3.86Å; L233-F319 HydrophobicContact CD2-CD2 4.06Å; L233-F319 HydrophobicContact CD2-CE1 3.7Å; L233-F319 HydrophobicContact CD2-CE2 3.84Å; L233-F319 HydrophobicContact CD2-CG 4.04Å; L233-F319 HydrophobicContact CD2-CZ 3.68Å; L233-F319 HydrophobicContact CG-CE1 3.89Å; L233-F319 HydrophobicContact CG-CE2 3.82Å; L233-F319 HydrophobicContact CG-CZ 3.48Å; L233-F319 VanDerWaalsContact CG-CZ 3.48Å; F238-F319 AromaticContact CE2-CE2 3.72Å; F238-F319 HydrophobicContact CE2-CE2 3.72Å; F238-F319 AromaticContact CE2-CZ 3.86Å; F238-F319 HydrophobicContact CE2-CZ 3.86Å; F238-F319 HydrophobicContact CZ-CD2 4.36Å; F238-F319 AromaticContact CZ-CE2 3.46Å; F238-F319 HydrophobicContact CZ-CE2 3.46Å; F238-F319 VanDerWaalsContact CZ-CE2 3.46Å; F238-F319 HydrophobicContact CZ-CZ 4.06Å; L315-F319 HydrophobicContact CB-CE2 4.4Å; L315-F319 WeakPolarHBondContact O-CD2 3.45Å; L315-F319 PolarHBondContact O-N 2.77Å; L315-F319 VanDerWaalsContact O-N 3.11Å; V316-F319 WeakPolarHBondContact O-CB 3.44Å; V316-F319 PolarHBondContact O-N 3.15Å; E317-F319 PolarHBondContact O-N 3.15Å; F319-M321 PolarHBondContact O-N 2.89Å; F319-L322 PolarHBondContact O-N 2.71Å; F319-F323 HydrophobicContact CB-CE1 4.1Å; F319-F323 HydrophobicContact CB-CE2 4.43Å; F319-F323 HydrophobicContact CB-CZ 3.98Å; F319-F323 AromaticContact CD1-CE1 3.8Å; F319-F323 HydrophobicContact CD1-CE1 3.8Å; F319-F323 AromaticContact CD1-CZ 3.81Å; F319-F323 HydrophobicContact CD1-CZ 3.81Å; F319-F323 HydrophobicContact CG-CE1 4.45Å; F319-F323 HydrophobicContact CG-CZ 4.33Å; F319-F323 WeakPolarHBondContact O-CB 3.42Å; F319-F323 WeakPolarHBondContact O-CD1 3.44Å; F319-F323 WeakPolarHBondContact O-CG 3.49Å; F319-F323 PolarHBondContact O-N 2.85Å; F319-I352 HydrophobicContact CD1-CD1 4.01Å; F319-I352 HydrophobicContact CD2-CD1 3.61Å; F319-I352 HydrophobicContact CE1-CD1 4.04Å; F319-I352 HydrophobicContact CE2-CD1 3.72Å; F319-I352 HydrophobicContact CG-CD1 3.81Å; F319-I352 HydrophobicContact CZ-CD1 3.92Å; F319-V355 HydrophobicContact CB-CG1 4.09Å
320Q98.3Very high98.2Very high86 Ų8654.4 Ų54.440%0.40228%0.277SS..Hα-helixtrans-59-45.1-179.7-174.3173.2-12.300112.3V316 E317 T324 V355 V359V316-Q320 PolarHBondContact O-N 2.9Å; V316-Q320 VanDerWaalsContact O-N 3.08Å; E317-Q320 PolarHBondContact O-N 2.79Å; Q320-T324 WeakPolarHBondContact O-CB 3.48Å; Q320-T324 PolarHBondContact O-N 3.01Å; Q320-T324 PolarHBondContact O-OG1 3.11Å; Q320-V355 HydrophobicContact CB-CG1 3.96Å; Q320-V359 HydrophobicContact CB-CG2 4.48Å; Q320-V359 HydrophobicContact CG-CG2 3.78Å
321M98.2Very high98.1Very high122 Ų12256.4 Ų56.460%0.60128%0.283SS*.Hα-helixtrans-61-46.3174.5-70.9-172-73.200112.4E317 R318 F319 F323 T324 K325E317-M321 WeakPolarHBondContact O-CG 3.38Å; E317-M321 PolarHBondContact O-N 3.05Å; R318-M321 HydrophobicContact CG-CE 4.01Å; F319-M321 PolarHBondContact O-N 2.89Å; M321-F323 VanDerWaalsContact C-N 3.34Å; M321-F323 PolarHBondContact O-N 3.18Å; M321-T324 PolarHBondContact O-N 3.02Å; M321-K325 WeakPolarHBondContact O-CB 3.19Å; M321-K325 PolarHBondContact O-N 3.24Å
322L97.9Very high98.1Very high16 Ų1655.6 Ų55.68%0.08428%0.279CS..Hα-helixtrans-63.6-39.3-178.3-178.467.6000112.7T210 T228 D230 R318 F319 C326T210-L322 HydrophobicContact CG2-CD2 3.53Å; T228-L322 PolarHBondContact OG1-O 3.32Å; D230-L322 HydrophobicContact CB-CD1 4.4Å; D230-L322 HydrophobicContact CB-CD2 3.87Å; R318-L322 WeakPolarHBondContact O-CB 3.3Å; R318-L322 PolarHBondContact O-N 2.73Å; F319-L322 PolarHBondContact O-N 2.71Å; L322-C326 PolarHBondContact O-N 3.17Å
323F98.4Very high98.1Very high0 Ų061.6 Ų61.60%031%0.305CS..Hα-helixtrans-72-42.1-178.3-64.310000110.1V203 I205 T210 V212 F319 M321 C326 L327 V355 V356 V359 F360V203-F323 HydrophobicContact CG1-CE1 3.97Å; V203-F323 HydrophobicContact CG1-CE2 3.96Å; V203-F323 HydrophobicContact CG1-CZ 3.46Å; V203-F323 VanDerWaalsContact CG1-CZ 3.46Å; V203-F323 HydrophobicContact CG2-CE2 4.5Å; I205-F323 HydrophobicContact CD1-CZ 4.19Å; T210-F323 HydrophobicContact CG2-CE1 4.16Å; V212-F323 HydrophobicContact CG2-CD1 3.3Å; V212-F323 HydrophobicContact CG2-CE1 3.61Å; V212-F323 HydrophobicContact CG2-CG 4.12Å; F319-F323 HydrophobicContact CB-CE1 4.1Å; F319-F323 HydrophobicContact CB-CE2 4.43Å; F319-F323 HydrophobicContact CB-CZ 3.98Å; F319-F323 AromaticContact CD1-CE1 3.8Å; F319-F323 HydrophobicContact CD1-CE1 3.8Å; F319-F323 AromaticContact CD1-CZ 3.81Å; F319-F323 HydrophobicContact CD1-CZ 3.81Å; F319-F323 HydrophobicContact CG-CE1 4.45Å; F319-F323 HydrophobicContact CG-CZ 4.33Å; F319-F323 WeakPolarHBondContact O-CB 3.42Å; F319-F323 WeakPolarHBondContact O-CD1 3.44Å; F319-F323 WeakPolarHBondContact O-CG 3.49Å; F319-F323 PolarHBondContact O-N 2.85Å; M321-F323 VanDerWaalsContact C-N 3.34Å; M321-F323 PolarHBondContact O-N 3.18Å; F323-C326 VanDerWaalsContact O-CB 3.31Å; F323-C326 WeakPolarHBondContact O-CB 3.34Å; F323-C326 PolarHBondContact O-N 3.16Å; F323-C326 VanDerWaalsContact O-N 3.14Å; F323-L327 PolarHBondContact O-N 3.38Å; F323-V355 HydrophobicContact CD2-CG1 3.64Å; F323-V355 HydrophobicContact CE2-CB 4.25Å; F323-V355 HydrophobicContact CE2-CG1 3.67Å; F323-V355 HydrophobicContact CG-CG1 4.5Å; F323-V356 HydrophobicContact CD2-CG2 4.23Å; F323-V356 HydrophobicContact CE2-CG2 3.64Å; F323-V359 HydrophobicContact CB-CB 4.3Å; F323-V359 HydrophobicContact CB-CG1 3.89Å; F323-V359 HydrophobicContact CB-CG2 4.2Å; F323-F360 HydrophobicContact CB-CE2 4.09Å; F323-F360 HydrophobicContact CB-CZ 4.5Å; F323-F360 HydrophobicContact CD2-CE2 4.15Å; F323-F360 HydrophobicContact CG-CE2 4.37Å
324T98.5Very high98.1Very high56 Ų5659.6 Ų59.634%0.34429%0.291SS..Hα-helixtrans-62.2-46.7175.5-52.40000110.9Q320 M321 C326 L327 D328Q320-T324 WeakPolarHBondContact O-CB 3.48Å; Q320-T324 PolarHBondContact O-N 3.01Å; Q320-T324 PolarHBondContact O-OG1 3.11Å; M321-T324 PolarHBondContact O-N 3.02Å; T324-C326 PolarHBondContact O-N 2.85Å; T324-C326 VanDerWaalsContact O-N 3.08Å; T324-L327 WeakPolarHBondContact O-CB 3.48Å; T324-L327 PolarHBondContact O-N 2.9Å; T324-D328 PolarHBondContact O-N 3.41Å; T324-D328 VanDerWaalsContact O-N 3.09Å
325K97.8Very high98Very high110 Ų11062.1 Ų62.148%0.47830%0.3SS..Hα-helixtrans-55.2-30.3174.4-172.5-179.4177.7178.30112.6T228 M321 V329T228-K325 HydrophobicContact CG2-CB 4.21Å; T228-K325 HydrophobicContact CG2-CD 4.22Å; T228-K325 HydrophobicContact CG2-CG 3.91Å; M321-K325 WeakPolarHBondContact O-CB 3.19Å; M321-K325 PolarHBondContact O-N 3.24Å; K325-V329 HydrophobicContact CG-CG2 4.37Å; K325-V329 WeakPolarHBondContact O-CB 3.48Å; K325-V329 VanDerWaalsContact O-CG2 3.22Å; K325-V329 WeakPolarHBondContact O-CG2 3.37Å; K325-V329 PolarHBondContact O-N 2.92Å
326C98.1Very high98Very high0 Ų064.9 Ų64.90%032%0.315CS..Hα-helixtrans-69.3-41.7177.7-1550000112.4V212 I214 T228 L322 F323 T324 V329 A330V212-C326 HydrophobicContact CB-CB 4.04Å; V212-C326 HydrophobicContact CG1-CB 3.75Å; V212-C326 PolarHBondContact O-SG 2.83Å; I214-C326 HydrophobicContact CD1-CB 4.36Å; T228-C326 HydrophobicContact CG2-CB 4.08Å; T228-C326 WeakPolarHBondContact OG1-CB 3.43Å; L322-C326 PolarHBondContact O-N 3.17Å; F323-C326 VanDerWaalsContact O-CB 3.31Å; F323-C326 WeakPolarHBondContact O-CB 3.34Å; F323-C326 PolarHBondContact O-N 3.16Å; F323-C326 VanDerWaalsContact O-N 3.14Å; T324-C326 PolarHBondContact O-N 2.85Å; T324-C326 VanDerWaalsContact O-N 3.08Å; C326-V329 PolarHBondContact O-N 3.1Å; C326-A330 WeakPolarHBondContact O-CB 3.4Å; C326-A330 PolarHBondContact O-N 3.41Å
327L98.6Very high98Very high9 Ų963.7 Ų63.75%0.04731%0.308CS..Hα-helixtrans-61.5-45.8173.1-72.9168.5000110.9I214 F323 T324 V329 A330 K331 L332 V337 V359 F360I214-L327 HydrophobicContact CD1-CD2 3.85Å; I214-L327 HydrophobicContact CD1-CG 4.3Å; F323-L327 PolarHBondContact O-N 3.38Å; T324-L327 WeakPolarHBondContact O-CB 3.48Å; T324-L327 PolarHBondContact O-N 2.9Å; L327-V329 PolarHBondContact O-N 3.28Å; L327-A330 CarbonylContact O-C 2.95Å; L327-A330 PolarHBondContact O-N 3.03Å; L327-K331 PolarHBondContact O-N 2.98Å; L327-L332 CarbonylContact C-O 3.6Å; L327-L332 WeakPolarHBondContact CB-O 3.46Å; L327-L332 HydrophobicContact CD2-CB 4.48Å; L327-L332 PolarHBondContact O-N 3.3Å; L327-V337 HydrophobicContact CD2-CG2 3.77Å; L327-V359 HydrophobicContact CD1-CG1 3.87Å; L327-F360 HydrophobicContact CD1-CD1 4.27Å; L327-F360 HydrophobicContact CD1-CE1 4.17Å; L327-F360 HydrophobicContact CD2-CD1 4.23Å; L327-F360 HydrophobicContact CD2-CE1 3.92Å; L327-F360 HydrophobicContact CG-CD1 4.47Å; L327-F360 HydrophobicContact CG-CE1 3.98Å
328D98.1Very high98Very high111 Ų11162.7 Ų62.759%0.59430%0.303SS*.Hα-helixtrans-60.1-45.2177.9-61.8-36.2000112.2T324 K331T324-D328 PolarHBondContact O-N 3.41Å; T324-D328 VanDerWaalsContact O-N 3.09Å; D328-K331 PolarHBondContact O-N 3Å
329V97Very high97.9Very high31 Ų3158.6 Ų58.619%0.18829%0.288CS..Hα-helixtrans-64.9-38.6176.6169.80000111.6A226 T228 K325 C326 L327 K331 F441 L442A226-V329 HydrophobicContact CB-CB 4.08Å; A226-V329 HydrophobicContact CB-CG1 3.64Å; T228-V329 HydrophobicContact CG2-CG2 4.33Å; K325-V329 HydrophobicContact CG-CG2 4.37Å; K325-V329 WeakPolarHBondContact O-CB 3.48Å; K325-V329 VanDerWaalsContact O-CG2 3.22Å; K325-V329 WeakPolarHBondContact O-CG2 3.37Å; K325-V329 PolarHBondContact O-N 2.92Å; C326-V329 PolarHBondContact O-N 3.1Å; L327-V329 PolarHBondContact O-N 3.28Å; V329-K331 PolarHBondContact O-N 2.77Å; V329-F441 HydrophobicContact CG1-CE1 3.84Å; V329-F441 HydrophobicContact CG1-CZ 3.78Å; V329-L442 HydrophobicContact CG1-CD1 4.43Å
330A97.4Very high97.9Very high18 Ų1858.6 Ų58.615%0.14929%0.288CS..Hα-helixtrans-69.7-16173.900000113I214 A226 C326 L327 L332I214-A330 HydrophobicContact CB-CB 4.39Å; I214-A330 HydrophobicContact CD1-CB 3.91Å; A226-A330 HydrophobicContact CB-CB 3.72Å; C326-A330 WeakPolarHBondContact O-CB 3.4Å; C326-A330 PolarHBondContact O-N 3.41Å; L327-A330 CarbonylContact O-C 2.95Å; L327-A330 PolarHBondContact O-N 3.03Å; A330-L332 VanDerWaalsContact C-N 3.27Å; A330-L332 HydrophobicContact CB-CB 4.19Å; A330-L332 HydrophobicContact CB-CD1 3.95Å; A330-L332 HydrophobicContact CB-CG 3.93Å
331K97.7Very high97.9Very high191 Ų19154.6 Ų54.683%0.8327%0.269SS*.THydrogen-bonded Turntrans57.939.3-169.4-53.3-179.7-176.9178.10112.1L327 D328 V329L327-K331 PolarHBondContact O-N 2.98Å; D328-K331 PolarHBondContact O-N 3Å; V329-K331 PolarHBondContact O-N 2.77Å
332L98.2Very high98Very high40 Ų4048.9 Ų48.921%0.20924%0.241CC..  trans-120.7154.5-179.2-65.4179000110.5I199 I214 L225 L327 A330 D336I199-L332 HydrophobicContact CG2-CD1 3.8Å; I214-L332 HydrophobicContact CG2-CD1 4.03Å; L225-L332 HydrophobicContact CD1-CD1 4.15Å; L327-L332 CarbonylContact C-O 3.6Å; L327-L332 WeakPolarHBondContact CB-O 3.46Å; L327-L332 HydrophobicContact CD2-CB 4.48Å; L327-L332 PolarHBondContact O-N 3.3Å; A330-L332 VanDerWaalsContact C-N 3.27Å; A330-L332 HydrophobicContact CB-CB 4.19Å; A330-L332 HydrophobicContact CB-CD1 3.95Å; A330-L332 HydrophobicContact CB-CG 3.93Å; L332-D336 HydrophobicContact CB-CB 4.26Å; L332-D336 HydrophobicContact CD2-CB 3.96Å
333K98Very high98Very high126 Ų12648.1 Ų48.155%0.54824%0.237SC..  trans-94.2165.8167.6-59170.3-179.7170.30110E335 D336K333-E335 HydrophobicContact CB-CG 3.81Å; K333-E335 HydrophobicContact CD-CG 3.87Å; K333-E335 WeakPolarHBondContact CD-OE1 3.29Å; K333-E335 WeakPolarHBondContact CE-OE1 3.38Å; K333-E335 IonicContact NZ-OE1 3.08Å; K333-E335 PolarHBondContact NZ-OE1 2.89Å; K333-E335 PolarHBondContact O-N 2.88Å; K333-E335 VanDerWaalsContact O-N 3.15Å; K333-D336 WeakPolarHBondContact CB-OD2 3.27Å; K333-D336 PolarHBondContact N-OD2 2.71Å; K333-D336 PolarHBondContact O-N 2.93Å; K333-D336 VanDerWaalsContact O-N 3.09Å
334S97.7Very high97.9Very high20 Ų2048.6 Ų48.614%0.1424%0.242CC..G310 helixtrans-54.4-32.5172.6-40.70000113.3D336 V337 V359S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 PolarHBondContact O-N 2.98Å; S334-V337 PolarHBondContact O-N 3.31Å; S334-V359 WeakPolarHBondContact CB-O 3.37Å; S334-V359 PolarHBondContact OG-O 3.04Å
335E96.6Very high97.8Very high121 Ų12147.9 Ų47.957%0.56525%0.245SC*.G310 helixtrans-73.6-17.3-179.661-163.1-165.200114.3K333K333-E335 HydrophobicContact CB-CG 3.81Å; K333-E335 HydrophobicContact CD-CG 3.87Å; K333-E335 WeakPolarHBondContact CD-OE1 3.29Å; K333-E335 WeakPolarHBondContact CE-OE1 3.38Å; K333-E335 IonicContact NZ-OE1 3.08Å; K333-E335 PolarHBondContact NZ-OE1 2.89Å; K333-E335 PolarHBondContact O-N 2.88Å; K333-E335 VanDerWaalsContact O-N 3.15Å
336D97.8Very high97.8Very high64 Ų6443.1 Ų43.134%0.34223%0.226SC..G310 helixtrans-83.8-17.1176.7-54.7-53.4000112.3I199 L332 K333 S334 H338I199-D336 WeakPolarHBondContact CB-O 3.49Å; L332-D336 HydrophobicContact CB-CB 4.26Å; L332-D336 HydrophobicContact CD2-CB 3.96Å; K333-D336 WeakPolarHBondContact CB-OD2 3.27Å; K333-D336 PolarHBondContact N-OD2 2.71Å; K333-D336 PolarHBondContact O-N 2.93Å; K333-D336 VanDerWaalsContact O-N 3.09Å; S334-D336 VanDerWaalsContact C-N 3.33Å; S334-D336 PolarHBondContact O-N 2.98Å; D336-H338 PolarHBondContact O-ND1 2.99Å
337V98.5Very high97.8Very high6 Ų643.3 Ų43.34%0.03623%0.227CC..  trans-84.6117.7-178.5-179.60000110I199 A201 L327 S334 S339 V340 F360 Q362I199-V337 HydrophobicContact CG2-CG2 4.38Å; A201-V337 HydrophobicContact CB-CG1 3.87Å; L327-V337 HydrophobicContact CD2-CG2 3.77Å; S334-V337 PolarHBondContact O-N 3.31Å; V337-S339 WeakPolarHBondContact CG1-O 3.39Å; V337-V340 HydrophobicContact CG1-CG2 4.25Å; V337-F360 HydrophobicContact CB-CD1 4.47Å; V337-F360 HydrophobicContact CG1-CD1 4.33Å; V337-F360 HydrophobicContact CG2-CD1 4.26Å; V337-F360 HydrophobicContact CG2-CE1 4.46Å; V337-Q362 PolarHBondContact O-NE2 3.03Å
338H97.8Very high97.7Very high104 Ų10448 Ų4848%0.48124%0.244SC..  trans-81.4-26.5-173.7-62.351.2000113.3K198 I199 D336K198-H338 HydrophobicContact CG-CB 4.17Å; I199-H338 PolarHBondContact N-ND1 3.44Å; I199-H338 WeakPolarHBondContact O-CB 3.34Å; I199-H338 PolarHBondContact O-N 2.98Å; D336-H338 PolarHBondContact O-ND1 2.99Å
339S97.7Very high97.7Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-159.7146.9174.751.60000111.2V200 A201 V337 Q362V200-S339 WeakPolarHBondContact CA-O 3.42Å; A201-S339 PolarHBondContact N-O 2.92Å; V337-S339 WeakPolarHBondContact CG1-O 3.39Å; S339-Q362 VanDerWaalsContact CA-OE1 3.22Å
340V98.6Very high97.7Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-108.9130.2166.8-169.70000108.9A201 V203 V337 V356 F360 Q362 R365A201-V340 HydrophobicContact CB-CG1 4.18Å; A201-V340 HydrophobicContact CB-CG2 4.23Å; A201-V340 CarbonylContact O-C 3.35Å; A201-V340 VanDerWaalsContact O-CA 3.31Å; A201-V340 WeakPolarHBondContact O-CA 3.4Å; V203-V340 HydrophobicContact CG2-CG1 3.74Å; V337-V340 HydrophobicContact CG1-CG2 4.25Å; V340-V356 HydrophobicContact CB-CG1 4.09Å; V340-V356 HydrophobicContact CG1-CG1 3.79Å; V340-V356 HydrophobicContact CG2-CG1 4.27Å; V340-F360 HydrophobicContact CG1-CD2 4.36Å; V340-F360 HydrophobicContact CG1-CE2 4.49Å; V340-F360 HydrophobicContact CG2-CB 3.52Å; V340-F360 HydrophobicContact CG2-CD1 3.89Å; V340-F360 HydrophobicContact CG2-CD2 3.91Å; V340-F360 HydrophobicContact CG2-CG 3.5Å; V340-Q362 HydrophobicContact CG2-CG 3.9Å; V340-R365 WeakPolarHBondContact O-CB 3.49Å; V340-R365 PolarHBondContact O-N 2.75Å
341E98.5Very high97.7Very high1 Ų142.3 Ų42.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-108.6133.7175-68-66.7161.400110.9Y183 V200 A201 F202 V203 R365 S367Y183-E341 HydrophobicContact CD2-CG 4.13Å; Y183-E341 HydrophobicContact CE2-CG 3.93Å; V200-E341 HydrophobicContact CG1-CG 4.21Å; A201-E341 PolarHBondContact O-N 2.84Å; F202-E341 HydrophobicContact CD1-CB 3.78Å; F202-E341 HydrophobicContact CD1-CG 4.37Å; F202-E341 HydrophobicContact CE1-CB 4.05Å; F202-E341 HydrophobicContact CE1-CG 4.13Å; V203-E341 PolarHBondContact N-O 2.88Å; E341-R365 WeakPolarHBondContact OE1-CB 3.31Å; E341-S367 WeakPolarHBondContact OE1-CB 3.39Å; E341-S367 PolarHBondContact OE1-OG 3.17Å; E341-S367 PolarHBondContact OE2-N 3.25Å; E341-S367 PolarHBondContact OE2-OG 3.17Å; E341-S367 VanDerWaalsContact OE2-OG 3.05Å
342L98.6Very high97.7Very high2 Ų233.2 Ų33.21%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-98.1120.4-176.7-59.4-176.3000111.1V203 K353 V356 R365 T366V203-L342 HydrophobicContact CB-CD2 4.25Å; L342-K353 HydrophobicContact CD1-CG 4.11Å; L342-V356 HydrophobicContact CD2-CG1 4.39Å; L342-V356 HydrophobicContact CD2-CG2 3.9Å; L342-R365 WeakPolarHBondContact CB-O 3.04Å; L342-R365 PolarHBondContact N-O 2.83Å; L342-T366 HydrophobicContact CB-CG2 4.32Å
343I98.5Very high97.7Very high1 Ų135.8 Ų35.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-127.5152.3-174.9-49.7-66.4000110.2I179 V203 S204 I205 S347 L368 A370 A373I179-I343 HydrophobicContact CD1-CB 4.14Å; I179-I343 HydrophobicContact CD1-CG1 4.2Å; I179-I343 HydrophobicContact CD1-CG2 3.68Å; I179-I343 HydrophobicContact CG1-CG1 4.47Å; I179-I343 HydrophobicContact CG1-CG2 4.05Å; I179-I343 HydrophobicContact CG2-CD1 4.12Å; I179-I343 HydrophobicContact CG2-CG1 3.83Å; V203-I343 PolarHBondContact O-N 3.02Å; S204-I343 WeakPolarHBondContact CA-O 3.47Å; I205-I343 PolarHBondContact N-O 3.4Å; I343-S347 WeakPolarHBondContact O-CB 3.38Å; I343-S347 PolarHBondContact O-OG 2.97Å; I343-L368 HydrophobicContact CD1-CB 3.83Å; I343-L368 HydrophobicContact CD1-CD1 4.03Å; I343-A370 WeakPolarHBondContact CG2-O 3.47Å; I343-A373 HydrophobicContact CD1-CB 3.87Å; I343-A373 HydrophobicContact CG2-CB 4.19Å
344G97.2Very high97.7Very high10 Ų1034.6 Ų34.610%0.10318%0.181CC..SBendtrans82.3150.9177.200000114.1I205 S346 S347 A370I205-G344 CarbonylContact O-C 3.57Å; I205-G344 VanDerWaalsContact O-C 3.27Å; G344-S346 PolarHBondContact O-N 3.08Å; G344-S347 WeakPolarHBondContact O-CB 3.17Å; G344-S347 PolarHBondContact O-N 3.21Å; G344-S347 VanDerWaalsContact O-N 3.1Å; G344-S347 PolarHBondContact O-OG 3.19Å; G344-A370 WeakPolarHBondContact CA-O 3.01Å; G344-A370 PolarHBondContact N-O 3.46Å
345G95.8Very high97.8Very high41 Ų4134 Ų3442%0.42318%0.176SC..G310 helixtrans-39.1-47.1-177.400000115.6I205I205-G345 PolarHBondContact O-N 3.29Å
346S97.7Very high97.9Very high10 Ų1028.2 Ų28.27%0.0715%0.149CC..G310 helixtrans-87.2-11.7-168.9-50.10000113.9I205 G206 G235 G344 R348 M349I205-S346 WeakPolarHBondContact O-CB 3.47Å; I205-S346 PolarHBondContact O-N 2.76Å; G206-S346 PolarHBondContact O-OG 2.86Å; G235-S346 WeakPolarHBondContact CA-OG 3.19Å; G235-S346 PolarHBondContact N-OG 3.18Å; G344-S346 PolarHBondContact O-N 3.08Å; S346-R348 PolarHBondContact O-N 3.42Å; S346-R348 VanDerWaalsContact O-N 3.11Å; S346-M349 WeakPolarHBondContact O-CE 3.43Å; S346-M349 PolarHBondContact O-N 2.94Å
347S97.7Very high97.9Very high3 Ų327.1 Ų27.12%0.02115%0.149CC..G310 helixtrans-62.7-16.5174.366.40000113.5I343 G344 M349I343-S347 WeakPolarHBondContact O-CB 3.38Å; I343-S347 PolarHBondContact O-OG 2.97Å; G344-S347 WeakPolarHBondContact O-CB 3.17Å; G344-S347 PolarHBondContact O-N 3.21Å; G344-S347 VanDerWaalsContact O-N 3.1Å; G344-S347 PolarHBondContact O-OG 3.19Å; S347-M349 VanDerWaalsContact C-N 3.31Å; S347-M349 PolarHBondContact O-N 3.04Å
348R97.2Very high97.9Very high109 Ų10930.2 Ų30.241%0.41117%0.171SC..G310 helixtrans-69.9-21.1-179.9-65.7176.2168.798.2-11.8114.1S346 D371S346-R348 PolarHBondContact O-N 3.42Å; S346-R348 VanDerWaalsContact O-N 3.11Å; R348-D371 IonicContact CZ-OD1 3.41Å; R348-D371 IonicContact CZ-OD2 3.87Å; R348-D371 IonicContact NH1-OD1 3.24Å; R348-D371 PolarHBondContact NH1-OD1 3.03Å; R348-D371 IonicContact NH1-OD2 2.71Å; R348-D371 PolarHBondContact NH1-OD2 3.5Å; R348-D371 IonicContact NH2-OD1 2.58Å; R348-D371 IonicContact NH2-OD2 3.08Å; R348-D371 PolarHBondContact NH2-OD2 3.32Å
349M97.7Very high97.9Very high4 Ų425.8 Ų25.82%0.0215%0.152CC..SBendtrans-66.9132.5-175.5-66.8-175.4-60.900111.8F238 K276 F308 S346 S347 M351 I352 K353F238-M349 HydrophobicContact CD1-CE 4.37Å; F238-M349 HydrophobicContact CD2-CE 3.62Å; F238-M349 HydrophobicContact CD2-SD 4.41Å; F238-M349 HydrophobicContact CE1-CE 4.21Å; F238-M349 HydrophobicContact CE2-CE 3.41Å; F238-M349 VanDerWaalsContact CE2-CE 3.41Å; F238-M349 HydrophobicContact CG-CE 4.08Å; F238-M349 HydrophobicContact CG-SD 4.34Å; F238-M349 HydrophobicContact CZ-CE 3.71Å; K276-M349 HydrophobicContact CD-SD 3.94Å; K276-M349 HydrophobicContact CG-SD 3.91Å; F308-M349 HydrophobicContact CE1-SD 4.44Å; F308-M349 HydrophobicContact CZ-SD 4.38Å; S346-M349 WeakPolarHBondContact O-CE 3.43Å; S346-M349 PolarHBondContact O-N 2.94Å; S347-M349 VanDerWaalsContact C-N 3.31Å; S347-M349 PolarHBondContact O-N 3.04Å; M349-M351 HydrophobicContact CB-CE 4.2Å; M349-M351 HydrophobicContact CB-CG 4.32Å; M349-M351 HydrophobicContact CE-CE 3.92Å; M349-M351 HydrophobicContact CG-CE 4.45Å; M349-M351 PolarHBondContact O-N 2.92Å; M349-M351 HydrophobicContact SD-CE 3.59Å; M349-M351 VanDerWaalsContact SD-CE 3.59Å; M349-I352 HydrophobicContact CB-CG1 4.1Å; M349-I352 HydrophobicContact CE-CG1 3.94Å; M349-I352 WeakPolarHBondContact O-CB 3.19Å; M349-I352 PolarHBondContact O-N 3.37Å; M349-K353 PolarHBondContact O-N 3.41Å
350P97.5Very high97.9Very high28 Ų2825.9 Ų25.918%0.18215%0.152CC..Hα-helixtrans-55-47.5-177.1-2936.4000114.6I352 K353 N354P350-I352 PolarHBondContact O-N 3.44Å; P350-I352 VanDerWaalsContact O-N 3.14Å; P350-K353 WeakPolarHBondContact O-CB 3.48Å; P350-K353 PolarHBondContact O-N 2.73Å; P350-N354 PolarHBondContact O-N 3.08Å; P350-N354 PolarHBondContact O-OD1 2.66Å
351M97.4Very high97.9Very high7 Ų735 Ų353%0.03419%0.186CC..Hα-helixtrans-51.2-35.1172.957178.3164.800114.7F238 F308 E309 C312 V316 M349 N354 V355F238-M351 HydrophobicContact CD1-CE 3.44Å; F238-M351 VanDerWaalsContact CD1-CE 3.44Å; F238-M351 HydrophobicContact CD1-SD 4.45Å; F238-M351 HydrophobicContact CE1-CE 3.17Å; F238-M351 HydrophobicContact CE1-SD 3.76Å; F238-M351 HydrophobicContact CG-CE 4.36Å; F238-M351 HydrophobicContact CZ-CE 3.91Å; F308-M351 HydrophobicContact CD1-CE 4.29Å; F308-M351 HydrophobicContact CE1-CE 3.4Å; F308-M351 VanDerWaalsContact CE1-CE 3.4Å; F308-M351 HydrophobicContact CZ-CE 3.62Å; E309-M351 HydrophobicContact CB-SD 4.47Å; E309-M351 HydrophobicContact CG-CB 3.96Å; E309-M351 HydrophobicContact CG-CG 4.17Å; E309-M351 HydrophobicContact CG-SD 3.98Å; E309-M351 PolarHBondContact OE1-N 3.31Å; C312-M351 HydrophobicContact CB-SD 4.41Å; V316-M351 HydrophobicContact CG2-CB 4.21Å; V316-M351 HydrophobicContact CG2-CG 4.36Å; V316-M351 HydrophobicContact CG2-SD 3.79Å; M349-M351 HydrophobicContact CB-CE 4.2Å; M349-M351 HydrophobicContact CB-CG 4.32Å; M349-M351 HydrophobicContact CE-CE 3.92Å; M349-M351 HydrophobicContact CG-CE 4.45Å; M349-M351 PolarHBondContact O-N 2.92Å; M349-M351 HydrophobicContact SD-CE 3.59Å; M349-M351 VanDerWaalsContact SD-CE 3.59Å; M351-N354 WeakPolarHBondContact O-CB 3.43Å; M351-N354 PolarHBondContact O-N 3.07Å; M351-V355 WeakPolarHBondContact O-CG2 3.33Å; M351-V355 PolarHBondContact O-N 2.93Å; M351-V355 VanDerWaalsContact O-N 3.09Å
352I98.1Very high97.8Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-69.6-43.2176.3-63.6-59.9000110.8I205 F238 F319 M349 P350 N354 V355 V356I205-I352 HydrophobicContact CD1-CB 4.4Å; I205-I352 HydrophobicContact CD1-CD1 4.06Å; I205-I352 HydrophobicContact CD1-CG1 4.19Å; I205-I352 HydrophobicContact CD1-CG2 3.37Å; F238-I352 HydrophobicContact CZ-CD1 4.3Å; F319-I352 HydrophobicContact CD1-CD1 4.01Å; F319-I352 HydrophobicContact CD2-CD1 3.61Å; F319-I352 HydrophobicContact CE1-CD1 4.04Å; F319-I352 HydrophobicContact CE2-CD1 3.72Å; F319-I352 HydrophobicContact CG-CD1 3.81Å; F319-I352 HydrophobicContact CZ-CD1 3.92Å; M349-I352 HydrophobicContact CB-CG1 4.1Å; M349-I352 HydrophobicContact CE-CG1 3.94Å; M349-I352 WeakPolarHBondContact O-CB 3.19Å; M349-I352 PolarHBondContact O-N 3.37Å; P350-I352 PolarHBondContact O-N 3.44Å; P350-I352 VanDerWaalsContact O-N 3.14Å; I352-N354 PolarHBondContact O-N 3.29Å; I352-V355 PolarHBondContact O-N 2.69Å; I352-V355 VanDerWaalsContact O-N 3.11Å; I352-V356 PolarHBondContact O-N 3.04Å
353K98Very high97.8Very high95 Ų9545 Ų4541%0.41323%0.233SC..Hα-helixtrans-60.2-36.4176.3-58.5-173.9-179.2-175.20111L342 M349 P350 V356 A357L342-K353 HydrophobicContact CD1-CG 4.11Å; M349-K353 PolarHBondContact O-N 3.41Å; P350-K353 WeakPolarHBondContact O-CB 3.48Å; P350-K353 PolarHBondContact O-N 2.73Å; K353-V356 PolarHBondContact O-N 3.07Å; K353-A357 WeakPolarHBondContact O-CB 3.47Å; K353-A357 PolarHBondContact O-N 3.47Å
354N97.9Very high97.7Very high101 Ų10145.9 Ų45.954%0.5424%0.242SC..Hα-helixtrans-65.2-41.1174.3-61.2-15.1000112.2P350 M351 I352 A357 S358P350-N354 PolarHBondContact O-N 3.08Å; P350-N354 PolarHBondContact O-OD1 2.66Å; M351-N354 WeakPolarHBondContact O-CB 3.43Å; M351-N354 PolarHBondContact O-N 3.07Å; I352-N354 PolarHBondContact O-N 3.29Å; N354-A357 PolarHBondContact O-N 3.11Å; N354-S358 WeakPolarHBondContact O-CB 3.32Å; N354-S358 PolarHBondContact O-N 3.1Å
355V98.5Very high97.7Very high6 Ų651.5 Ų51.54%0.03626%0.26CS..Hα-helixtrans-62.2-42.7172.9177.90000111.2V316 F319 Q320 F323 M351 I352 S358 V359V316-V355 HydrophobicContact CG1-CG2 3.52Å; F319-V355 HydrophobicContact CB-CG1 4.09Å; Q320-V355 HydrophobicContact CB-CG1 3.96Å; F323-V355 HydrophobicContact CD2-CG1 3.64Å; F323-V355 HydrophobicContact CE2-CB 4.25Å; F323-V355 HydrophobicContact CE2-CG1 3.67Å; F323-V355 HydrophobicContact CG-CG1 4.5Å; M351-V355 WeakPolarHBondContact O-CG2 3.33Å; M351-V355 PolarHBondContact O-N 2.93Å; M351-V355 VanDerWaalsContact O-N 3.09Å; I352-V355 PolarHBondContact O-N 2.69Å; I352-V355 VanDerWaalsContact O-N 3.11Å; V355-S358 PolarHBondContact O-N 3.48Å; V355-V359 HydrophobicContact CG1-CG2 4.21Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.49Å
356V98.5Very high97.7Very high0 Ų054.3 Ų54.30%027%0.269CS..Hα-helixtrans-61.2-48.2176.6171.70000111.1V203 F323 V340 L342 I352 K353 S358 V359 F360V203-V356 HydrophobicContact CG1-CG2 4.34Å; V203-V356 HydrophobicContact CG2-CG2 4.27Å; F323-V356 HydrophobicContact CD2-CG2 4.23Å; F323-V356 HydrophobicContact CE2-CG2 3.64Å; V340-V356 HydrophobicContact CB-CG1 4.09Å; V340-V356 HydrophobicContact CG1-CG1 3.79Å; V340-V356 HydrophobicContact CG2-CG1 4.27Å; L342-V356 HydrophobicContact CD2-CG1 4.39Å; L342-V356 HydrophobicContact CD2-CG2 3.9Å; I352-V356 PolarHBondContact O-N 3.04Å; K353-V356 PolarHBondContact O-N 3.07Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.11Å; V356-V359 PolarHBondContact O-N 3.23Å; V356-F360 HydrophobicContact CG1-CD2 4.13Å; V356-F360 WeakPolarHBondContact O-CB 3.34Å; V356-F360 PolarHBondContact O-N 2.82Å
357A98.3Very high97.6Very high41 Ų4157.7 Ų57.734%0.33929%0.293SS..Hα-helixtrans-60.7-37.3176.400000112.6K353 N354 R361 Q362K353-A357 WeakPolarHBondContact O-CB 3.47Å; K353-A357 PolarHBondContact O-N 3.47Å; N354-A357 PolarHBondContact O-N 3.11Å; A357-R361 WeakPolarHBondContact O-CA 3.36Å; A357-R361 PolarHBondContact O-N 2.79Å; A357-R361 VanDerWaalsContact O-N 3.1Å; A357-Q362 WeakPolarHBondContact CA-O 3.38Å
358S98Very high97.5Very high72 Ų7258.2 Ų58.250%0.50330%0.296SS..Hα-helixtrans-66.9-50.7176.5-1750000112.7N354 V355 V356N354-S358 WeakPolarHBondContact O-CB 3.32Å; N354-S358 PolarHBondContact O-N 3.1Å; V355-S358 PolarHBondContact O-N 3.48Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.11Å
359V98.3Very high97.5Very high11 Ų1156.5 Ų56.57%0.06730%0.295CS..Hα-helixtrans-76.8-46.9-174.1176.10000112.2Q320 F323 L327 S334 V355 V356Q320-V359 HydrophobicContact CB-CG2 4.48Å; Q320-V359 HydrophobicContact CG-CG2 3.78Å; F323-V359 HydrophobicContact CB-CB 4.3Å; F323-V359 HydrophobicContact CB-CG1 3.89Å; F323-V359 HydrophobicContact CB-CG2 4.2Å; L327-V359 HydrophobicContact CD1-CG1 3.87Å; S334-V359 WeakPolarHBondContact CB-O 3.37Å; S334-V359 PolarHBondContact OG-O 3.04Å; V355-V359 HydrophobicContact CG1-CG2 4.21Å; V355-V359 WeakPolarHBondContact O-CG2 3.43Å; V355-V359 PolarHBondContact O-N 3.49Å; V356-V359 PolarHBondContact O-N 3.23Å
360F98.2Very high97.5Very high1 Ų157 Ų570%0.00430%0.299CS..Hα-helixtrans-93.1-2.1-175.4-65.3-81.7000113.7A201 V203 V212 F323 L327 V337 V340 V356 Q362A201-F360 HydrophobicContact CB-CD1 4.31Å; A201-F360 HydrophobicContact CB-CE1 3.72Å; A201-F360 HydrophobicContact CB-CZ 4.01Å; V203-F360 HydrophobicContact CG2-CE2 4.13Å; V212-F360 HydrophobicContact CG1-CZ 4.21Å; F323-F360 HydrophobicContact CB-CE2 4.09Å; F323-F360 HydrophobicContact CB-CZ 4.5Å; F323-F360 HydrophobicContact CD2-CE2 4.15Å; F323-F360 HydrophobicContact CG-CE2 4.37Å; L327-F360 HydrophobicContact CD1-CD1 4.27Å; L327-F360 HydrophobicContact CD1-CE1 4.17Å; L327-F360 HydrophobicContact CD2-CD1 4.23Å; L327-F360 HydrophobicContact CD2-CE1 3.92Å; L327-F360 HydrophobicContact CG-CD1 4.47Å; L327-F360 HydrophobicContact CG-CE1 3.98Å; V337-F360 HydrophobicContact CB-CD1 4.47Å; V337-F360 HydrophobicContact CG1-CD1 4.33Å; V337-F360 HydrophobicContact CG2-CD1 4.26Å; V337-F360 HydrophobicContact CG2-CE1 4.46Å; V340-F360 HydrophobicContact CG1-CD2 4.36Å; V340-F360 HydrophobicContact CG1-CE2 4.49Å; V340-F360 HydrophobicContact CG2-CB 3.52Å; V340-F360 HydrophobicContact CG2-CD1 3.89Å; V340-F360 HydrophobicContact CG2-CD2 3.91Å; V340-F360 HydrophobicContact CG2-CG 3.5Å; V356-F360 HydrophobicContact CG1-CD2 4.13Å; V356-F360 WeakPolarHBondContact O-CB 3.34Å; V356-F360 PolarHBondContact O-N 2.82Å; F360-Q362 HydrophobicContact CB-CG 4.09Å; F360-Q362 PolarHBondContact O-N 3.2Å; F360-Q362 VanDerWaalsContact O-N 3.15Å; F360-Q362 PolarHBondContact O-NE2 2.73Å
361R98Very high97.5Very high193 Ų19357.7 Ų57.773%0.72830%0.302SS*.SBendtrans56.724.1-179.5-56.7-176.8178.8-178.5-1.1114.4A357A357-R361 WeakPolarHBondContact O-CA 3.36Å; A357-R361 PolarHBondContact O-N 2.79Å; A357-R361 VanDerWaalsContact O-N 3.1Å
362Q97.7Very high97.5Very high44 Ų4458 Ų5821%0.20630%0.303CS..SBendtrans-153.7153.5-178.668.4-169.3-8300110.4V337 S339 V340 A357 F360V337-Q362 PolarHBondContact O-NE2 3.03Å; S339-Q362 VanDerWaalsContact CA-OE1 3.22Å; V340-Q362 HydrophobicContact CG2-CG 3.9Å; A357-Q362 WeakPolarHBondContact CA-O 3.38Å; F360-Q362 HydrophobicContact CB-CG 4.09Å; F360-Q362 PolarHBondContact O-N 3.2Å; F360-Q362 VanDerWaalsContact O-N 3.15Å; F360-Q362 PolarHBondContact O-NE2 2.73Å
363E97.5Very high97.4Very high167 Ų16758 Ų5878%0.7830%0.303SS*.PPolyproline II helixtrans-68.9143.9176.6-63.4-171.2166.400112.1
364G97.3Very high97.5Very high20 Ų2054 Ų5421%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-73.7125.4172.700000111.6
365R97.2Very high97.5Very high128 Ų12849.2 Ų49.248%0.48326%0.261SS..EExtended strand (participates in β ladder)trans-82.3161176.9-58.3-174.5-175-163.21.5111.5V340 E341 L342V340-R365 WeakPolarHBondContact O-CB 3.49Å; V340-R365 PolarHBondContact O-N 2.75Å; E341-R365 WeakPolarHBondContact OE1-CB 3.31Å; L342-R365 WeakPolarHBondContact CB-O 3.04Å; L342-R365 PolarHBondContact N-O 2.83Å
366T95.7Very high97.4Very high100 Ų10051.1 Ų51.161%0.61327%0.267SS*.  trans-131.749.2174.760.40000109.2L342 L368L342-T366 HydrophobicContact CB-CG2 4.32Å; T366-L368 VanDerWaalsContact C-N 3.3Å; T366-L368 CarbonylContact C-O 3.59Å
367S95.2Very high97.4Very high82 Ų8251.1 Ų51.157%0.57327%0.267SS*.  trans-74.1-27.9179.371.90000111.4E341E341-S367 WeakPolarHBondContact OE1-CB 3.39Å; E341-S367 PolarHBondContact OE1-OG 3.17Å; E341-S367 PolarHBondContact OE2-N 3.25Å; E341-S367 PolarHBondContact OE2-OG 3.17Å; E341-S367 VanDerWaalsContact OE2-OG 3.05Å
368L95.9Very high97.3Very high13 Ų1349.1 Ų49.17%0.06825%0.251CS..SBendtrans-88.4147.9165.7-64.3179.3000111.3I179 Y183 Y186 F202 I343 T366 A370 A373I179-L368 HydrophobicContact CG2-CD1 3.98Å; Y183-L368 HydrophobicContact CD2-CD1 4.26Å; Y183-L368 HydrophobicContact CD2-CG 4.38Å; Y186-L368 HydrophobicContact CD2-CD2 4Å; F202-L368 HydrophobicContact CE1-CD1 4.35Å; I343-L368 HydrophobicContact CD1-CB 3.83Å; I343-L368 HydrophobicContact CD1-CD1 4.03Å; T366-L368 VanDerWaalsContact C-N 3.3Å; T366-L368 CarbonylContact C-O 3.59Å; L368-A370 PolarHBondContact O-N 3.09Å; L368-A373 HydrophobicContact CB-CB 4.28Å; L368-A373 HydrophobicContact CD1-CB 4.24Å
369N97Very high97.3Very high73 Ų7345.7 Ų45.739%0.3923%0.227SC..  trans-66.6114.5165.8178-36.4000109.1D371 E372 A373N369-D371 PolarHBondContact O-N 2.85Å; N369-D371 PolarHBondContact OD1-N 3.43Å; N369-E372 HydrophobicContact CB-CB 4.11Å; N369-E372 PolarHBondContact ND2-OE1 2.85Å; N369-E372 PolarHBondContact O-N 2.68Å; N369-E372 PolarHBondContact OD1-N 2.98Å; N369-E372 VanDerWaalsContact OD1-N 3.16Å; N369-A373 WeakPolarHBondContact O-CB 3.27Å; N369-A373 PolarHBondContact O-N 3.21Å
370A96.8Very high97.1Very high14 Ų1446.2 Ų46.212%0.11623%0.229CC..THydrogen-bonded Turntrans-60.4-25.8-172.700000114.6I343 G344 L368I343-A370 WeakPolarHBondContact CG2-O 3.47Å; G344-A370 WeakPolarHBondContact CA-O 3.01Å; G344-A370 PolarHBondContact N-O 3.46Å; L368-A370 PolarHBondContact O-N 3.09Å
371D97.4Very high97Very high44 Ų4446.3 Ų46.324%0.23523%0.229CC..THydrogen-bonded Turntrans-97.1-25.3-179.7-57.5-37.5000112.3Y16 R348 N369Y16-D371 WeakPolarHBondContact CD2-O 3.15Å; Y16-D371 HydrophobicContact CE1-CB 4.29Å; Y16-D371 HydrophobicContact CE2-CB 4.35Å; Y16-D371 WeakPolarHBondContact CE2-O 3.26Å; R348-D371 IonicContact CZ-OD1 3.41Å; R348-D371 IonicContact CZ-OD2 3.87Å; R348-D371 IonicContact NH1-OD1 3.24Å; R348-D371 PolarHBondContact NH1-OD1 3.03Å; R348-D371 IonicContact NH1-OD2 2.71Å; R348-D371 PolarHBondContact NH1-OD2 3.5Å; R348-D371 IonicContact NH2-OD1 2.58Å; R348-D371 IonicContact NH2-OD2 3.08Å; R348-D371 PolarHBondContact NH2-OD2 3.32Å; N369-D371 PolarHBondContact O-N 2.85Å; N369-D371 PolarHBondContact OD1-N 3.43Å
372E97.5Very high96.8Very high13 Ų1337.7 Ų37.76%0.06120%0.199CC..THydrogen-bonded Turntrans-99.6-13.4-174.4-64.4178.2-153.500114.4V27 R35 N369 V374 A375 R376V27-E372 HydrophobicContact CB-CG 4.19Å; V27-E372 HydrophobicContact CG1-CG 4.43Å; V27-E372 HydrophobicContact CG2-CB 3.91Å; V27-E372 HydrophobicContact CG2-CG 3.97Å; R35-E372 IonicContact CZ-OE1 2.76Å; R35-E372 VanDerWaalsContact CZ-OE1 3.31Å; R35-E372 IonicContact CZ-OE2 2.85Å; R35-E372 IonicContact NE-OE1 3.51Å; R35-E372 PolarHBondContact NE-OE1 2.9Å; R35-E372 IonicContact NH2-OE1 2.86Å; R35-E372 PolarHBondContact NH2-OE1 2.85Å; R35-E372 IonicContact NH2-OE2 2.78Å; R35-E372 PolarHBondContact NH2-OE2 2.78Å; N369-E372 HydrophobicContact CB-CB 4.11Å; N369-E372 PolarHBondContact ND2-OE1 2.85Å; N369-E372 PolarHBondContact O-N 2.68Å; N369-E372 PolarHBondContact OD1-N 2.98Å; N369-E372 VanDerWaalsContact OD1-N 3.16Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 3.02Å; E372-A375 PolarHBondContact O-N 3Å; E372-R376 HydrophobicContact CB-CG 4.31Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 VanDerWaalsContact O-CG 3.3Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 PolarHBondContact O-N 2.83Å; E372-R376 IonicContact OE2-CZ 3.05Å; E372-R376 IonicContact OE2-NE 3.87Å; E372-R376 PolarHBondContact OE2-NE 2.95Å; E372-R376 IonicContact OE2-NH2 2.65Å; E372-R376 PolarHBondContact OE2-NH2 3.12Å
373A97.6Very high96.5Very high1 Ų135.7 Ų35.71%0.00819%0.19CC..Hα-helixtrans-56.5-39.2-171.800000113.7I179 I343 L368 N369 G377I179-A373 HydrophobicContact CG1-CB 4.2Å; I343-A373 HydrophobicContact CD1-CB 3.87Å; I343-A373 HydrophobicContact CG2-CB 4.19Å; L368-A373 HydrophobicContact CB-CB 4.28Å; L368-A373 HydrophobicContact CD1-CB 4.24Å; N369-A373 WeakPolarHBondContact O-CB 3.27Å; N369-A373 PolarHBondContact O-N 3.21Å; A373-G377 PolarHBondContact O-N 3.31Å
374V98.2Very high96.3Very high10 Ų1030.7 Ų30.76%0.06117%0.168CC..Hα-helixtrans-66.8-53178.2-179.10000110.3D9 N145 A178 I179 E372 R376 G377 C378D9-V374 HydrophobicContact CB-CB 4.11Å; D9-V374 HydrophobicContact CB-CG1 3.86Å; N145-V374 HydrophobicContact CB-CG1 3.62Å; A178-V374 HydrophobicContact CB-CG1 4.17Å; I179-V374 HydrophobicContact CD1-CG2 3.96Å; I179-V374 HydrophobicContact CG1-CG2 3.75Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 3.02Å; V374-R376 VanDerWaalsContact C-N 3.34Å; V374-R376 PolarHBondContact O-N 3.05Å; V374-G377 CarbonylContact O-C 3.54Å; V374-G377 WeakPolarHBondContact O-CA 3.48Å; V374-G377 PolarHBondContact O-N 2.85Å; V374-C378 PolarHBondContact O-N 2.92Å; V374-C378 PolarHBondContact O-SG 3.14Å
375A98.3Very high96Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-60.8-40.2179.500000112.9D9 V27 E372 G377 C378 A379D9-A375 HydrophobicContact CB-CB 3.87Å; V27-A375 HydrophobicContact CG2-CB 3.97Å; E372-A375 PolarHBondContact O-N 3Å; A375-G377 VanDerWaalsContact C-N 3.34Å; A375-C378 PolarHBondContact O-N 2.88Å; A375-A379 PolarHBondContact O-N 2.84Å
376R97.5Very high95.6Very high46 Ų4626.9 Ų26.917%0.17416%0.158CC..Hα-helixtrans-62.8-42.1173.4-69.7172.7173.5-83.7-3.8111.2V25 V27 A182 Y186 E372 V374 A379 F380V25-R376 HydrophobicContact CG1-CB 4.12Å; V25-R376 HydrophobicContact CG1-CG 4.08Å; V25-R376 PolarHBondContact O-NH1 3.24Å; V27-R376 HydrophobicContact CG2-CG 3.97Å; A182-R376 HydrophobicContact CB-CB 4.36Å; Y186-R376 HydrophobicContact CE2-CB 4.32Å; Y186-R376 PolarHBondContact OH-NH1 3.36Å; E372-R376 HydrophobicContact CB-CG 4.31Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 VanDerWaalsContact O-CG 3.3Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 PolarHBondContact O-N 2.83Å; E372-R376 IonicContact OE2-CZ 3.05Å; E372-R376 IonicContact OE2-NE 3.87Å; E372-R376 PolarHBondContact OE2-NE 2.95Å; E372-R376 IonicContact OE2-NH2 2.65Å; E372-R376 PolarHBondContact OE2-NH2 3.12Å; V374-R376 VanDerWaalsContact C-N 3.34Å; V374-R376 PolarHBondContact O-N 3.05Å; R376-A379 PolarHBondContact O-N 3.17Å; R376-F380 WeakPolarHBondContact O-CD2 3.37Å; R376-F380 PolarHBondContact O-N 2.8Å
377G97.2Very high95Very high0 Ų028.8 Ų28.80%017%0.171CC..Hα-helixtrans-60.4-45.2173.200000113.5A178 A373 V374 A375 A379 F380 Q381A178-G377 WeakPolarHBondContact O-CA 3.45Å; A373-G377 PolarHBondContact O-N 3.31Å; V374-G377 CarbonylContact O-C 3.54Å; V374-G377 WeakPolarHBondContact O-CA 3.48Å; V374-G377 PolarHBondContact O-N 2.85Å; A375-G377 VanDerWaalsContact C-N 3.34Å; G377-A379 VanDerWaalsContact C-N 3.34Å; G377-A379 PolarHBondContact O-N 2.83Å; G377-F380 PolarHBondContact O-N 2.97Å; G377-Q381 WeakPolarHBondContact O-CG 3.22Å; G377-Q381 PolarHBondContact O-N 3.36Å
378C98Very high94.4Very high0 Ų027.9 Ų27.90%017%0.169CC..Hα-helixtrans-60.4-42.8174.3-660000111.5F8 V143 V173 V374 A375 Q381 A382F8-C378 PolarHBondContact O-SG 3.08Å; V143-C378 HydrophobicContact CB-CB 4.5Å; V143-C378 HydrophobicContact CG1-CB 4.03Å; V173-C378 VanDerWaalsContact CG1-SG 3.52Å; V374-C378 PolarHBondContact O-N 2.92Å; V374-C378 PolarHBondContact O-SG 3.14Å; A375-C378 PolarHBondContact O-N 2.88Å; C378-Q381 PolarHBondContact O-N 2.99Å; C378-A382 WeakPolarHBondContact O-CB 3.12Å; C378-A382 PolarHBondContact O-N 3.34Å
379A96.1Very high93.6Very high0 Ų030.6 Ų30.60%018%0.18CC..Hα-helixtrans-66.8-38.3177.500000112.6V5 V25 A375 R376 G377 A382 A383V5-A379 WeakPolarHBondContact CG1-O 3.32Å; V25-A379 HydrophobicContact CG1-CB 3.65Å; V25-A379 HydrophobicContact CG2-CB 4.22Å; A375-A379 PolarHBondContact O-N 2.84Å; R376-A379 PolarHBondContact O-N 3.17Å; G377-A379 VanDerWaalsContact C-N 3.34Å; G377-A379 PolarHBondContact O-N 2.83Å; A379-A382 PolarHBondContact O-N 2.99Å; A379-A383 WeakPolarHBondContact O-CB 3.34Å; A379-A383 PolarHBondContact O-N 3.36Å
380F94.9Very high92.7Very high21 Ų2137 Ų379%0.09221%0.205CC..Hα-helixtrans-65.2-40.2170.9-75.8-59.3000112.6V25 T181 F185 Y186 R376 G377 A383 I384V25-F380 HydrophobicContact CB-CE1 4.21Å; V25-F380 HydrophobicContact CB-CE2 4.24Å; V25-F380 HydrophobicContact CB-CZ 3.96Å; V25-F380 HydrophobicContact CG2-CD1 3.68Å; V25-F380 HydrophobicContact CG2-CD2 4.32Å; V25-F380 HydrophobicContact CG2-CE1 3.49Å; V25-F380 VanDerWaalsContact CG2-CE1 3.49Å; V25-F380 HydrophobicContact CG2-CE2 4.18Å; V25-F380 HydrophobicContact CG2-CG 4.09Å; V25-F380 HydrophobicContact CG2-CZ 3.76Å; T181-F380 HydrophobicContact CG2-CB 3.76Å; F185-F380 HydrophobicContact CB-CD1 4.15Å; F185-F380 HydrophobicContact CB-CD2 4.07Å; F185-F380 HydrophobicContact CB-CE1 3.86Å; F185-F380 HydrophobicContact CB-CE2 3.76Å; F185-F380 HydrophobicContact CB-CG 4.26Å; F185-F380 HydrophobicContact CB-CZ 3.66Å; F185-F380 AromaticContact CD1-CD1 3.87Å; F185-F380 HydrophobicContact CD1-CD1 3.87Å; F185-F380 AromaticContact CD1-CE1 3.83Å; F185-F380 HydrophobicContact CD1-CE1 3.83Å; F185-F380 HydrophobicContact CD1-CZ 4.48Å; F185-F380 HydrophobicContact CD2-CB 4.11Å; F185-F380 HydrophobicContact CD2-CD1 4.04Å; F185-F380 HydrophobicContact CD2-CD2 4.37Å; F185-F380 AromaticContact CD2-CG 3.95Å; F185-F380 HydrophobicContact CD2-CG 3.95Å; F185-F380 HydrophobicContact CE1-CD1 4.27Å; F185-F380 HydrophobicContact CE2-CB 4.26Å; F185-F380 HydrophobicContact CE2-CD1 4.42Å; F185-F380 HydrophobicContact CE2-CG 4.45Å; F185-F380 AromaticContact CG-CD1 3.74Å; F185-F380 HydrophobicContact CG-CD1 3.74Å; F185-F380 HydrophobicContact CG-CD2 4.31Å; F185-F380 AromaticContact CG-CE1 3.83Å; F185-F380 HydrophobicContact CG-CE1 3.83Å; F185-F380 HydrophobicContact CG-CE2 4.37Å; F185-F380 HydrophobicContact CG-CG 4Å; F185-F380 HydrophobicContact CG-CZ 4.16Å; Y186-F380 HydrophobicContact CD2-CE2 4.33Å; Y186-F380 HydrophobicContact CE1-CE2 4.25Å; Y186-F380 HydrophobicContact CE1-CZ 4.08Å; Y186-F380 AromaticContact CE2-CE2 3.68Å; Y186-F380 HydrophobicContact CE2-CE2 3.68Å; Y186-F380 HydrophobicContact CE2-CZ 4.33Å; Y186-F380 AromaticContact CZ-CE2 3.61Å; Y186-F380 AromaticContact CZ-CZ 3.85Å; R376-F380 WeakPolarHBondContact O-CD2 3.37Å; R376-F380 PolarHBondContact O-N 2.8Å; G377-F380 PolarHBondContact O-N 2.97Å; F380-A383 WeakPolarHBondContact O-CB 3.44Å; F380-A383 PolarHBondContact O-N 2.91Å; F380-A383 VanDerWaalsContact O-N 3.16Å; F380-I384 WeakPolarHBondContact O-CG1 3.48Å; F380-I384 PolarHBondContact O-N 3.25Å
381Q95.4Very high92.1Very high4 Ų438.5 Ų38.52%0.01921%0.212CC..Hα-helixtrans-63.2-41.2173.6-73.3-73.8-50.100111.8V143 V173 T181 G377 C378 A383 I384 C385V143-Q381 HydrophobicContact CG1-CB 4.03Å; V143-Q381 HydrophobicContact CG2-CB 4.42Å; V173-Q381 HydrophobicContact CG2-CG 4.11Å; T181-Q381 HydrophobicContact CG2-CG 4.22Å; T181-Q381 PolarHBondContact OG1-NE2 3.11Å; G377-Q381 WeakPolarHBondContact O-CG 3.22Å; G377-Q381 PolarHBondContact O-N 3.36Å; C378-Q381 PolarHBondContact O-N 2.99Å; Q381-A383 VanDerWaalsContact C-N 3.25Å; Q381-A383 PolarHBondContact O-N 3Å; Q381-I384 PolarHBondContact O-N 3.44Å; Q381-C385 PolarHBondContact O-N 3.02Å; Q381-C385 PolarHBondContact O-SG 2.85Å; Q381-C385 VanDerWaalsContact O-SG 3.34Å
382A94.6Very high91.6Very high11 Ų1144.9 Ų44.99%0.09124%0.238CC..Hα-helixtrans-62-35.4173.100000111.5V5 V6 V143 C378 A379 C385 S386V5-A382 HydrophobicContact CG1-CB 3.59Å; V6-A382 WeakPolarHBondContact O-CB 3.48Å; V143-A382 HydrophobicContact CB-CB 3.98Å; V143-A382 HydrophobicContact CG2-CB 3.63Å; C378-A382 WeakPolarHBondContact O-CB 3.12Å; C378-A382 PolarHBondContact O-N 3.34Å; A379-A382 PolarHBondContact O-N 2.99Å; A382-C385 PolarHBondContact O-N 3.21Å; A382-S386 WeakPolarHBondContact O-CB 2.79Å; A382-S386 PolarHBondContact O-N 3.23Å; A382-S386 VanDerWaalsContact O-N 3.11Å
383A92.3Very high91.1Very high3 Ų351.4 Ų51.43%0.02527%0.273CS..Hα-helixtrans-68-44.2176.100000111.8V5 A379 F380 Q381 C385 S386 V391V5-A383 HydrophobicContact CG1-CB 3.8Å; V5-A383 VanDerWaalsContact CG1-N 3.25Å; A379-A383 WeakPolarHBondContact O-CB 3.34Å; A379-A383 PolarHBondContact O-N 3.36Å; F380-A383 WeakPolarHBondContact O-CB 3.44Å; F380-A383 PolarHBondContact O-N 2.91Å; F380-A383 VanDerWaalsContact O-N 3.16Å; Q381-A383 VanDerWaalsContact C-N 3.25Å; Q381-A383 PolarHBondContact O-N 3Å; A383-C385 VanDerWaalsContact C-N 3.28Å; A383-C385 PolarHBondContact O-N 2.97Å; A383-S386 PolarHBondContact O-N 2.87Å; A383-V391 HydrophobicContact CB-CG1 3.49Å; A383-V391 VanDerWaalsContact CB-CG1 3.49Å
384I92.4Very high90.9Very high61 Ų6152.2 Ų52.231%0.31328%0.276SS..Hα-helixtrans-58.7-39.8173.9-67.2162.5000111.3T181 F185 F380 Q381 S386 V391 F394T181-I384 HydrophobicContact CG2-CD1 4.38Å; F185-I384 HydrophobicContact CE2-CD1 4.01Å; F185-I384 HydrophobicContact CZ-CD1 4.32Å; F185-I384 HydrophobicContact CZ-CG1 4.34Å; F380-I384 WeakPolarHBondContact O-CG1 3.48Å; F380-I384 PolarHBondContact O-N 3.25Å; Q381-I384 PolarHBondContact O-N 3.44Å; I384-S386 VanDerWaalsContact C-N 3.34Å; I384-V391 HydrophobicContact CB-CG2 4.46Å; I384-V391 HydrophobicContact CG1-CG2 3.92Å; I384-F394 HydrophobicContact CD1-CB 4.25Å; I384-F394 HydrophobicContact CD1-CD1 4.33Å
385C91.1Very high90.7Very high51 Ų5156.3 Ų56.335%0.34530%0.298SS..THydrogen-bonded Turntrans-82.6-6.4-179.2-62.80000114.4V170 Q381 A382 A383V170-C385 HydrophobicContact CG1-CB 3.5Å; Q381-C385 PolarHBondContact O-N 3.02Å; Q381-C385 PolarHBondContact O-SG 2.85Å; Q381-C385 VanDerWaalsContact O-SG 3.34Å; A382-C385 PolarHBondContact O-N 3.21Å; A383-C385 VanDerWaalsContact C-N 3.28Å; A383-C385 PolarHBondContact O-N 2.97Å
386S87.9Confident90.6Very high18 Ų1857.5 Ų57.513%0.12631%0.305CS..  trans-87.4121.7-175.2178.20000111.8A382 A383 I384 A388 F389A382-S386 WeakPolarHBondContact O-CB 2.79Å; A382-S386 PolarHBondContact O-N 3.23Å; A382-S386 VanDerWaalsContact O-N 3.11Å; A383-S386 PolarHBondContact O-N 2.87Å; I384-S386 VanDerWaalsContact C-N 3.34Å; S386-A388 PolarHBondContact O-N 2.96Å; S386-A388 PolarHBondContact OG-N 3.37Å; S386-F389 PolarHBondContact O-N 3.23Å; S386-F389 PolarHBondContact OG-N 3.25Å
387P84.8Confident90.6Very high139 Ų13956.9 Ų56.990%0.90331%0.307SS*.THydrogen-bonded Turntrans-69.5-14.9175.130.2-35.6000112.8
388A81.8Confident90.5Very high63 Ų6357.5 Ų57.552%0.52131%0.309SS..THydrogen-bonded Turntrans-94.2-18.4-179.400000113.5V3 S386V3-A388 HydrophobicContact CB-CB 4.13Å; V3-A388 HydrophobicContact CG2-CB 4.21Å; S386-A388 PolarHBondContact O-N 2.96Å; S386-A388 PolarHBondContact OG-N 3.37Å
389F78.6Confident90.4Very high70 Ų7057.9 Ų57.931%0.30731%0.312SS..  trans-113.6105.4-178.4-94.1-102.1000110.9V3 V5 S386 V391V3-F389 WeakPolarHBondContact O-CE2 3.38Å; V5-F389 HydrophobicContact CG2-CB 4.05Å; V5-F389 HydrophobicContact CG2-CD1 4.38Å; V5-F389 HydrophobicContact CG2-CD2 3.56Å; V5-F389 HydrophobicContact CG2-CE2 4.05Å; V5-F389 HydrophobicContact CG2-CG 3.74Å; S386-F389 PolarHBondContact O-N 3.23Å; S386-F389 PolarHBondContact OG-N 3.25Å; F389-V391 PolarHBondContact O-N 3.38Å
390K78Confident90.3Very high209 Ų20958 Ų5891%0.90931%0.313SS*.  trans-80.8102.7174.2-165.1171.1-173.9175.70110.4
391V85.2Confident90.2Very high45 Ų4558.3 Ų58.327%0.27332%0.316SS..PPolyproline II helixtrans-88.9171.9168.7-68.80000111.6F185 A383 I384 F389F185-V391 HydrophobicContact CE1-CB 4.49Å; A383-V391 HydrophobicContact CB-CG1 3.49Å; A383-V391 VanDerWaalsContact CB-CG1 3.49Å; I384-V391 HydrophobicContact CB-CG2 4.46Å; I384-V391 HydrophobicContact CG1-CG2 3.92Å; F389-V391 PolarHBondContact O-N 3.38Å
392K85.7Confident90.2Very high177 Ų17759.8 Ų59.877%0.7732%0.321SS*.PPolyproline II helixtrans-62.9141.5165.3-66.5-178.6179.3178.90109.3F394K392-F394 PolarHBondContact O-N 2.9Å
393D88.3Confident90.2Very high150 Ų15059.9 Ų59.980%0.80232%0.321SS*.PPolyproline II helixtrans-58.9121.3177.1-63.2-35.3000110.4G220G220-D393 WeakPolarHBondContact CA-O 3.49Å
394F93.1Very high90.3Very high18 Ų1859.8 Ų59.88%0.07932%0.32CS..  trans-139.897.2-177.8-164.4-92.1000110.3T181 F185 G220 M222 I384 K392 V396T181-F394 HydrophobicContact CG2-CD1 4.38Å; T181-F394 HydrophobicContact CG2-CE1 4.3Å; F185-F394 HydrophobicContact CD2-CD1 4.28Å; F185-F394 HydrophobicContact CD2-CD2 4.27Å; F185-F394 HydrophobicContact CD2-CG 4.11Å; F185-F394 HydrophobicContact CE2-CB 3.53Å; F185-F394 AromaticContact CE2-CD1 3.69Å; F185-F394 HydrophobicContact CE2-CD1 3.69Å; F185-F394 AromaticContact CE2-CD2 3.96Å; F185-F394 HydrophobicContact CE2-CD2 3.96Å; F185-F394 HydrophobicContact CE2-CE1 4.42Å; F185-F394 AromaticContact CE2-CG 3.43Å; F185-F394 HydrophobicContact CE2-CG 3.43Å; F185-F394 VanDerWaalsContact CE2-CG 3.43Å; F185-F394 HydrophobicContact CZ-CB 3.51Å; F185-F394 HydrophobicContact CZ-CD2 4.4Å; F185-F394 AromaticContact CZ-CG 3.92Å; F185-F394 HydrophobicContact CZ-CG 3.92Å; G220-F394 CarbonylContact O-C 3.5Å; G220-F394 WeakPolarHBondContact O-CA 3.49Å; M222-F394 HydrophobicContact CB-CE1 3.92Å; M222-F394 HydrophobicContact CB-CZ 3.87Å; I384-F394 HydrophobicContact CD1-CB 4.25Å; I384-F394 HydrophobicContact CD1-CD1 4.33Å; K392-F394 PolarHBondContact O-N 2.9Å; F394-V396 HydrophobicContact CD1-CG2 3.57Å; F394-V396 HydrophobicContact CE1-CG2 3.59Å
395N94.7Very high90.4Very high96 Ų9658 Ų5851%0.51331%0.311SS..EExtended strand (participates in β ladder)trans-80.5126.9-178-172.7-2.2000110.7G220 K221 M222G220-N395 PolarHBondContact O-N 3.01Å; K221-N395 WeakPolarHBondContact CA-O 3.28Å; K221-N395 HydrophobicContact CG-CB 4.49Å; M222-N395 PolarHBondContact N-O 3.37Å
396V96.2Very high90.5Very high25 Ų2555.6 Ų55.615%0.15230%0.295CS..EExtended strand (participates in β ladder)trans-118.6116.9-179.8174.30000110.2T177 M222 F394 E398T177-V396 HydrophobicContact CG2-CG1 3.47Å; T177-V396 VanDerWaalsContact CG2-CG1 3.47Å; M222-V396 HydrophobicContact CE-CB 4.42Å; M222-V396 HydrophobicContact CE-CG1 3.58Å; M222-V396 HydrophobicContact CE-CG2 4.09Å; M222-V396 WeakPolarHBondContact O-CA 3.41Å; F394-V396 HydrophobicContact CD1-CG2 3.57Å; F394-V396 HydrophobicContact CE1-CG2 3.59Å; V396-E398 HydrophobicContact CG1-CG 4.1Å
397V96Very high90.7Very high33 Ų3356 Ų5620%0.229%0.294CS..EExtended strand (participates in β ladder)trans-105.3112.1177.6-176.70000109.6M222 K223 V224 P444M222-V397 PolarHBondContact O-N 3.39Å; K223-V397 HydrophobicContact CB-CB 4.15Å; K223-V397 HydrophobicContact CG-CB 4.07Å; K223-V397 HydrophobicContact CG-CG1 4.16Å; V224-V397 PolarHBondContact N-O 2.91Å; V397-P444 HydrophobicContact CG1-CB 4.08Å
398E95.1Very high90.9Very high13 Ų1350 Ų506%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-100.6144.2175.9-63-171.979.300111K171 N174 T177 V396 P444 I445K171-E398 WeakPolarHBondContact CE-OE2 3.44Å; K171-E398 IonicContact NZ-OE2 3.72Å; K171-E398 PolarHBondContact NZ-OE2 3.13Å; N174-E398 PolarHBondContact ND2-OE1 3.47Å; T177-E398 WeakPolarHBondContact CB-OE1 3.48Å; T177-E398 HydrophobicContact CG2-CG 3.68Å; T177-E398 WeakPolarHBondContact CG2-OE1 3Å; T177-E398 VanDerWaalsContact OG1-CD 3.29Å; T177-E398 PolarHBondContact OG1-OE1 3.45Å; V396-E398 HydrophobicContact CG1-CG 4.1Å; E398-P444 CarbonylContact O-C 3.56Å; E398-P444 WeakPolarHBondContact O-CA 3.33Å; E398-I445 HydrophobicContact CB-CG1 4.06Å; E398-I445 WeakPolarHBondContact O-CG1 3.46Å; E398-I445 PolarHBondContact O-N 2.85Å
399P95.4Very high90.9Very high9 Ų952.1 Ų52.16%0.05826%0.257CS..EExtended strand (participates in β ladder)trans-86.4153.6173.530-34.2000113.4V224 L401 L442 H443V224-P399 HydrophobicContact CB-CG 4.32Å; V224-P399 HydrophobicContact CG1-CG 4.25Å; P399-L401 HydrophobicContact CG-CD2 3.99Å; P399-L401 PolarHBondContact O-N 3.31Å; P399-L442 HydrophobicContact CB-CB 4.33Å; P399-L442 HydrophobicContact CB-CD2 3.75Å; P399-L442 HydrophobicContact CG-CD2 4.19Å; P399-H443 CarbonylContact C-O 3.53Å
400C94.9Very high90.6Very high3 Ų353.1 Ų53.12%0.0226%0.262CS..PPolyproline II helixtrans-71.1119.4157.7-1700000109.2Y402 L442 H443 I445C400-Y402 PolarHBondContact SG-O 3.44Å; C400-Y402 VanDerWaalsContact SG-O 3.36Å; C400-L442 WeakPolarHBondContact O-CA 3.46Å; C400-L442 PolarHBondContact O-N 2.99Å; C400-H443 HydrophobicContact CB-CB 4.14Å; C400-H443 WeakPolarHBondContact CB-O 3.47Å; C400-H443 PolarHBondContact N-O 3.45Å; C400-I445 HydrophobicContact CB-CG2 4.1Å
401L93.7Very high90.1Very high27 Ų2745.3 Ų45.314%0.14123%0.229CC..SBendtrans-94.3-24.1-172-63.5161.9000113.3T148 P399 F441T148-L401 HydrophobicContact CG2-CD1 3.27Å; T148-L401 HydrophobicContact CG2-CD2 4.49Å; T148-L401 HydrophobicContact CG2-CG 4.5Å; T148-L401 WeakPolarHBondContact O-CD1 3.31Å; P399-L401 HydrophobicContact CG-CD2 3.99Å; P399-L401 PolarHBondContact O-N 3.31Å; L401-F441 WeakPolarHBondContact O-CD2 3.2Å; L401-F441 WeakPolarHBondContact O-CE2 3.49Å
402Y95.1Very high88.6Confident34 Ų3452.5 Ų52.513%0.13326%0.26CS..SBendtrans-125.9111179.7-59.2-52.6000107.9Y149 T151 C400 I404 Y465 D470 L471Y149-Y402 VanDerWaalsContact CA-OH 3.29Å; Y149-Y402 WeakPolarHBondContact CA-OH 3.42Å; Y149-Y402 WeakPolarHBondContact O-CE2 3.49Å; Y149-Y402 PolarHBondContact O-OH 2.66Å; T151-Y402 HydrophobicContact CG2-CD2 4.47Å; T151-Y402 HydrophobicContact CG2-CE2 4.24Å; C400-Y402 PolarHBondContact SG-O 3.44Å; C400-Y402 VanDerWaalsContact SG-O 3.36Å; Y402-I404 PolarHBondContact O-N 2.98Å; Y402-Y465 HydrophobicContact CD2-CE1 4.38Å; Y402-Y465 HydrophobicContact CG-CD1 4.4Å; Y402-Y465 HydrophobicContact CG-CE1 4.36Å; Y402-D470 WeakPolarHBondContact CE1-O 3.14Å; Y402-L471 HydrophobicContact CD1-CD2 3.62Å; Y402-L471 HydrophobicContact CD2-CD2 3.99Å; Y402-L471 HydrophobicContact CE1-CD2 3.81Å; Y402-L471 HydrophobicContact CE2-CD2 4.18Å; Y402-L471 HydrophobicContact CG-CD2 3.7Å
403P94.2Very high86.9Confident13 Ų1347.8 Ų47.88%0.08426%0.261CS..  trans-60137.5-176.4-23.333.5000111.3E437 F439 F441 Y465 A466P403-E437 WeakPolarHBondContact CB-OE2 3.4Å; P403-F439 CarbonylContact C-O 3.55Å; P403-F439 VanDerWaalsContact CA-O 3.26Å; P403-F439 WeakPolarHBondContact CA-O 3.3Å; P403-F441 HydrophobicContact CG-CB 3.82Å; P403-Y465 CarbonylContact O-C 3.59Å; P403-Y465 WeakPolarHBondContact O-CA 3.44Å; P403-A466 HydrophobicContact CB-CB 3.93Å; P403-A466 PolarHBondContact O-N 3.34Å
404I95.1Very high85.2Confident1 Ų142.4 Ų42.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-107.9125.4-177.2-57.3-178.3000109.8Y402 V438 F439 R464 Y465 I478 M502 F508Y402-I404 PolarHBondContact O-N 2.98Å; I404-V438 HydrophobicContact CB-CG2 4.31Å; I404-V438 HydrophobicContact CG2-CG2 4.04Å; I404-V438 VanDerWaalsContact O-CG2 3.3Å; I404-V438 WeakPolarHBondContact O-CG2 3.47Å; I404-V438 PolarHBondContact O-N 3.46Å; I404-F439 HydrophobicContact CB-CB 4.29Å; I404-F439 HydrophobicContact CB-CD2 4.4Å; I404-F439 HydrophobicContact CD1-CD2 4.42Å; I404-F439 PolarHBondContact N-O 2.77Å; I404-F439 PolarHBondContact O-N 3.42Å; I404-R464 CarbonylContact C-O 3.6Å; I404-R464 WeakPolarHBondContact CA-O 3.32Å; I404-Y465 HydrophobicContact CG1-CD1 4.29Å; I404-Y465 HydrophobicContact CG1-CE1 4.23Å; I404-I478 HydrophobicContact CB-CD1 4.46Å; I404-I478 HydrophobicContact CD1-CD1 3.89Å; I404-I478 HydrophobicContact CG1-CD1 3.9Å; I404-I478 HydrophobicContact CG2-CD1 3.87Å; I404-M502 HydrophobicContact CD1-CE 4.11Å; I404-M502 HydrophobicContact CD1-SD 3.46Å; I404-M502 WeakPolarHBondContact CD1-SD 3.47Å; I404-F508 HydrophobicContact CD1-CB 3.88Å; I404-F508 HydrophobicContact CD1-CD2 3.95Å; I404-F508 HydrophobicContact CD1-CG 4.2Å; I404-F508 HydrophobicContact CG2-CD2 4.01Å; I404-F508 HydrophobicContact CG2-CE2 4.17Å
405I93.2Very high82.9Confident24 Ų2451 Ų5112%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-107.6148.8170.966173.1000110.5I436 E437 R464 A466I405-I436 CarbonylContact C-O 3.59Å; I405-I436 WeakPolarHBondContact CA-O 3.35Å; I405-E437 HydrophobicContact CG2-CB 4.13Å; I405-E437 HydrophobicContact CG2-CG 4.37Å; I405-R464 HydrophobicContact CD1-CB 4.27Å; I405-R464 HydrophobicContact CG1-CB 3.81Å; I405-R464 HydrophobicContact CG1-CG 4.3Å; I405-R464 PolarHBondContact N-O 2.73Å; I405-R464 PolarHBondContact O-N 2.97Å; I405-A466 HydrophobicContact CG2-CB 3.99Å
406I93.1Very high80.6Confident1 Ų155.4 Ų55.41%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-104.6125.2166-52.6-57.5000108.1F408 C435 I436 V438 L461 A463 M500 F508I406-F408 HydrophobicContact CG2-CD1 4.39Å; I406-C435 VanDerWaalsContact O-CA 3.32Å; I406-C435 WeakPolarHBondContact O-CA 3.24Å; I406-I436 PolarHBondContact N-O 3Å; I406-I436 PolarHBondContact O-N 3.29Å; I406-V438 HydrophobicContact CD1-CG2 4.11Å; I406-V438 HydrophobicContact CG1-CG1 3.76Å; I406-V438 HydrophobicContact CG1-CG2 3.89Å; I406-L461 HydrophobicContact CG2-CB 4.16Å; I406-L461 HydrophobicContact CG2-CD2 4.05Å; I406-L461 HydrophobicContact CG2-CG 4.48Å; I406-A463 HydrophobicContact CD1-CB 3.96Å; I406-M500 HydrophobicContact CD1-SD 3.89Å; I406-M500 HydrophobicContact CG1-SD 3.56Å; I406-M500 VanDerWaalsContact CG1-SD 3.56Å; I406-F508 HydrophobicContact CD1-CE1 4.27Å; I406-F508 HydrophobicContact CD1-CE2 4.07Å; I406-F508 HydrophobicContact CD1-CZ 3.53Å
407Q91.8Very high78.2Confident25 Ų2556.1 Ų56.112%0.11730%0.296CS..EExtended strand (participates in β ladder)trans-108.7136.7176.4-173.1-173.4-80.300109.9N433 M434 E462 R464Q407-N433 HydrophobicContact CG-CB 3.87Å; Q407-N433 PolarHBondContact NE2-ND2 3.4Å; Q407-N433 VanDerWaalsContact NE2-ND2 3.18Å; Q407-M434 CarbonylContact C-O 3.53Å; Q407-M434 VanDerWaalsContact CA-O 3.29Å; Q407-M434 WeakPolarHBondContact CA-O 3.38Å; Q407-E462 HydrophobicContact CB-CB 4.48Å; Q407-E462 PolarHBondContact N-O 3Å; Q407-E462 PolarHBondContact O-N 3.33Å; Q407-R464 HydrophobicContact CB-CG 4.32Å
408F88.9Confident76.1Confident13 Ų1357 Ų576%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-155.9161.1179.859.5-78.5000111.9I406 N433 M434 I436 L453 L461I406-F408 HydrophobicContact CG2-CD1 4.39Å; F408-N433 CarbonylContact O-C 3.55Å; F408-N433 WeakPolarHBondContact O-CA 3.34Å; F408-M434 HydrophobicContact CD1-CB 4.2Å; F408-M434 WeakPolarHBondContact CD1-O 3.34Å; F408-M434 HydrophobicContact CD2-CB 4.12Å; F408-M434 HydrophobicContact CE1-CB 3.74Å; F408-M434 HydrophobicContact CE2-CB 3.68Å; F408-M434 HydrophobicContact CE2-CG 4.07Å; F408-M434 HydrophobicContact CE2-SD 3.9Å; F408-M434 HydrophobicContact CG-CB 4.37Å; F408-M434 HydrophobicContact CZ-CB 3.47Å; F408-M434 VanDerWaalsContact CZ-CB 3.47Å; F408-M434 HydrophobicContact CZ-CG 4.26Å; F408-M434 HydrophobicContact CZ-SD 4.14Å; F408-M434 PolarHBondContact N-O 3.32Å; F408-M434 PolarHBondContact O-N 3.28Å; F408-I436 HydrophobicContact CE1-CD1 3.47Å; F408-I436 VanDerWaalsContact CE1-CD1 3.47Å; F408-I436 HydrophobicContact CE1-CG1 4Å; F408-I436 HydrophobicContact CZ-CD1 3.89Å; F408-L453 HydrophobicContact CE1-CD2 4.41Å; F408-L453 HydrophobicContact CE2-CD2 3.91Å; F408-L453 HydrophobicContact CZ-CD2 3.73Å; F408-L461 HydrophobicContact CB-CD2 3.44Å; F408-L461 VanDerWaalsContact CB-CD2 3.44Å; F408-L461 HydrophobicContact CD1-CD2 4.28Å; F408-L461 HydrophobicContact CG-CD2 3.96Å
409D82.9Confident74Confident109 Ų10963.4 Ų63.458%0.58333%0.329SS*.EExtended strand (participates in β ladder)trans-75.1141.6-179.2-66-28.5000111.6
410Q71.6Confident72Confident90 Ų9064.9 Ų64.942%0.42134%0.338SS..PPolyproline II helixtrans-79.8118171.2-172.7174.312.800110.7K432 M434Q410-K432 WeakPolarHBondContact CB-O 3.32Å; Q410-K432 PolarHBondContact N-O 2.83Å; Q410-M434 HydrophobicContact CB-CG 3.85Å; Q410-M434 HydrophobicContact CB-SD 4.25Å; Q410-M434 HydrophobicContact CG-CE 4.31Å; Q410-M434 HydrophobicContact CG-CG 4.27Å; Q410-M434 HydrophobicContact CG-SD 4.07Å
411E67.3Low70Confident46 Ų4674.5 Ų74.522%0.21538%0.382CS..PPolyproline II helixtrans-67.6137.9171.1-76.2-170.9149.300111.3G413 S414 Q455 H456E411-G413 PolarHBondContact O-N 2.67Å; E411-S414 PolarHBondContact O-N 3.3Å; E411-S414 PolarHBondContact O-OG 2.78Å; E411-Q455 WeakPolarHBondContact OE2-CA 3.45Å; E411-H456 WeakPolarHBondContact OE1-CB 3.48Å; E411-H456 IonicContact OE1-CD2 3.63Å; E411-H456 PolarHBondContact OE1-N 3.14Å; E411-H456 IonicContact OE2-CD2 2.93Å; E411-H456 PolarHBondContact OE2-N 3.05Å
412E54.8Low68.4Low196 Ų19677.2 Ų77.292%0.91639%0.394SS*.THydrogen-bonded Turntrans-65.1126.4175.1-71.9-170.1159.400110.6
413G50.5Low66.8Low78 Ų7875.9 Ų75.980%0.80439%0.389SS*.THydrogen-bonded Turntrans91.2-11.1-178.300000115.3E411 K415E411-G413 PolarHBondContact O-N 2.67Å; G413-K415 PolarHBondContact O-N 2.73Å
414S51.1Low65.2Low37 Ų3782.6 Ų82.626%0.25942%0.424SS..  trans-75.665.1179.874.70000113E411 Q416E411-S414 PolarHBondContact O-N 3.3Å; E411-S414 PolarHBondContact O-OG 2.78Å; S414-Q416 PolarHBondContact O-N 3.04Å
415K44.5Very low63.5Low197 Ų19783.5 Ų83.586%0.85743%0.434SS*.  trans-75.1110.8167.8-74.6-175.5178.8178.20109.4G413G413-K415 PolarHBondContact O-N 2.73Å
416Q48.3Very low62Low189 Ų18989 Ų8988%0.88346%0.462SS*.  trans60.396.5172.3-62.5177.9-26.700116S414S414-Q416 PolarHBondContact O-N 3.04Å
417C44.7Very low60.9Low41 Ų4191.8 Ų91.828%0.27748%0.477SS..  -154101.9129.8-165.50000110.5L454C417-L454 HydrophobicContact CB-CB 4.36Å; C417-L454 HydrophobicContact CB-CD1 3.25Å; C417-L454 HydrophobicContact CB-CG 3.52Å
418M52.9Low60.1Low50 Ų5093.6 Ų93.625%0.24649%0.49CS..  trans-131.3128.3140.9-65.3-146.2-31.300108T420 L427 I436 I451 V452 L453M418-T420 HydrophobicContact CE-CG2 3.93Å; M418-L427 HydrophobicContact CE-CD1 3.67Å; M418-L427 HydrophobicContact CG-CD1 3.93Å; M418-L427 HydrophobicContact SD-CD1 3.71Å; M418-I436 HydrophobicContact CE-CD1 3.59Å; M418-I436 HydrophobicContact CE-CG1 4.02Å; M418-I436 HydrophobicContact CE-CG2 4.37Å; M418-I436 HydrophobicContact SD-CD1 3.34Å; M418-I436 WeakPolarHBondContact SD-CD1 3.41Å; M418-I436 HydrophobicContact SD-CG1 4.29Å; M418-I451 HydrophobicContact CE-CG2 4.45Å; M418-I451 HydrophobicContact SD-CB 4.46Å; M418-V452 WeakPolarHBondContact CG-O 3.4Å; M418-L453 HydrophobicContact CG-CD2 4.12Å; M418-L453 HydrophobicContact SD-CD2 3.59Å; M418-L453 VanDerWaalsContact SD-CD2 3.59Å
419Q50.7Low59.2Low149 Ų14996.7 Ų96.770%0.69651%0.51SS*.  trans-109.3121.3156.3-78.1178.7-35.500106.7
420T52.2Low58.5Low40 Ų4097.4 Ų97.425%0.24551%0.51CS..  trans-121.2105.4171.6410000108.2M418 E422 I423 I451M418-T420 HydrophobicContact CE-CG2 3.93Å; T420-E422 PolarHBondContact O-N 3.11Å; T420-I423 HydrophobicContact CG2-CB 4.12Å; T420-I423 HydrophobicContact CG2-CD1 4.41Å; T420-I423 HydrophobicContact CG2-CG1 4.43Å; T420-I423 PolarHBondContact OG1-O 3.1Å; T420-I423 VanDerWaalsContact OG1-O 3.04Å; T420-I451 HydrophobicContact CG2-CB 4.3Å; T420-I451 HydrophobicContact CG2-CG2 3.79Å
421E53.6Low58.7Low204 Ų20496.6 Ų96.695%0.95353%0.525SS*.SBendtrans-69.5-22.4172.2-64.7180158.300111.7
422E59.3Low59Low84 Ų84102.3 Ų102.339%0.39355%0.55SS..SBendtrans-110.1-5.9-170.8-64.6179.7160.100114.9T420 R449 Q450T420-E422 PolarHBondContact O-N 3.11Å; E422-R449 PolarHBondContact O-NE 3.42Å; E422-R449 PolarHBondContact O-NH2 2.99Å; E422-R449 WeakPolarHBondContact OE2-CA 3.27Å; E422-Q450 PolarHBondContact OE1-NE2 2.87Å; E422-Q450 PolarHBondContact OE2-N 3.32Å; E422-Q450 PolarHBondContact OE2-NE2 3.44Å
423I62Low60.3Low7 Ų795.2 Ų95.24%0.03652%0.518CS..  trans-130.6109.7-169.6-53.1-175.3000111.1T420 G425 I436 V438 R449 Q450 I451 M500T420-I423 HydrophobicContact CG2-CB 4.12Å; T420-I423 HydrophobicContact CG2-CD1 4.41Å; T420-I423 HydrophobicContact CG2-CG1 4.43Å; T420-I423 PolarHBondContact OG1-O 3.1Å; T420-I423 VanDerWaalsContact OG1-O 3.04Å; I423-G425 PolarHBondContact O-N 3.14Å; I423-I436 HydrophobicContact CG2-CG2 4.48Å; I423-V438 HydrophobicContact CD1-CG1 4.22Å; I423-R449 HydrophobicContact CD1-CB 3.77Å; I423-R449 HydrophobicContact CG1-CB 3.94Å; I423-R449 HydrophobicContact CG1-CG 4.47Å; I423-Q450 WeakPolarHBondContact CD1-O 3.48Å; I423-I451 HydrophobicContact CD1-CG2 3.58Å; I423-M500 HydrophobicContact CD1-CE 4.13Å
424D60.5Low61.9Low153 Ų15392.8 Ų92.882%0.81849%0.486SS*.  trans-76.75.5172.6-52.6-62000113.8I426D424-I426 PolarHBondContact O-N 3.11Å
425G58.8Low63.7Low21 Ų2191.2 Ų91.222%0.21648%0.475CS..PPolyproline II helixtrans-65.2119.5-175.700000112.2I423 L427I423-G425 PolarHBondContact O-N 3.14Å; G425-L427 PolarHBondContact O-N 3Å
426I63.2Low65.7Low139 Ų13981.8 Ų81.871%0.71343%0.434SS*.PPolyproline II helixtrans-66.3121.8174.7-60175.7000108.8D424 T428D424-I426 PolarHBondContact O-N 3.11Å; I426-T428 HydrophobicContact CG2-CG2 4.24Å; I426-T428 PolarHBondContact O-N 3.09Å
427L70Confident67.7Low60 Ų6076.1 Ų76.131%0.31441%0.408SS..PPolyproline II helixtrans-73.9119.5175-159.3151.1000108.9M418 G425 M434 I436M418-L427 HydrophobicContact CE-CD1 3.67Å; M418-L427 HydrophobicContact CG-CD1 3.93Å; M418-L427 HydrophobicContact SD-CD1 3.71Å; G425-L427 PolarHBondContact O-N 3Å; L427-M434 HydrophobicContact CD2-CB 4.19Å; L427-M434 HydrophobicContact CD2-CE 3.45Å; L427-M434 VanDerWaalsContact CD2-CE 3.45Å; L427-M434 HydrophobicContact CD2-CG 4.49Å; L427-M434 HydrophobicContact CD2-SD 4.06Å; L427-I436 HydrophobicContact CD1-CD1 4.13Å; L427-I436 HydrophobicContact CD1-CG1 3.83Å; L427-I436 HydrophobicContact CG-CG1 3.84Å
428T73.7Confident70Confident63 Ų6374.2 Ų74.239%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-115.1146.7-176.454.20000110.6I426 C435I426-T428 HydrophobicContact CG2-CG2 4.24Å; I426-T428 PolarHBondContact O-N 3.09Å; T428-C435 PolarHBondContact N-O 3.41Å; T428-C435 PolarHBondContact O-N 3.42Å; T428-C435 PolarHBondContact OG1-O 3.04Å
429T69.7Low71.9Confident78 Ų7871.8 Ų71.848%0.47938%0.383SS..EExtended strand (participates in β ladder)trans-111.7123.2179.1-49.60000109.7G431 N433T429-G431 WeakPolarHBondContact CG2-O 3.47Å; T429-N433 CarbonylContact C-O 3.57Å; T429-N433 WeakPolarHBondContact CA-O 3.49Å
430Q69.8Low73.9Confident123 Ų12366.5 Ų66.558%0.57536%0.361SS*.EExtended strand (participates in β ladder)trans-116.993.2175-64.5-170.910.100109.1K432 N433Q430-K432 PolarHBondContact O-N 3.08Å; Q430-N433 PolarHBondContact N-O 3.45Å; Q430-N433 PolarHBondContact O-N 3.18Å; Q430-N433 VanDerWaalsContact O-N 3.1Å
431G75.2Confident75.9Confident73 Ų7369.1 Ų69.175%0.75337%0.369SS*.THydrogen-bonded Turntrans68.3-117.1-174.400000111.4T429T429-G431 WeakPolarHBondContact CG2-O 3.47Å
432K74.4Confident77.8Confident166 Ų16662 Ų6272%0.72234%0.338SS*.THydrogen-bonded Turntrans-87.5-9.2173.8-68.9-169.4172.9-165.40113.6Q410 Q430Q410-K432 WeakPolarHBondContact CB-O 3.32Å; Q410-K432 PolarHBondContact N-O 2.83Å; Q430-K432 PolarHBondContact O-N 3.08Å
433N80.6Confident79.4Confident47 Ų4759.7 Ų59.725%0.25133%0.326SS..EExtended strand (participates in β ladder)trans-97.8132.7-169.6-56.610.8000109.5Q407 F408 T429 Q430Q407-N433 HydrophobicContact CG-CB 3.87Å; Q407-N433 PolarHBondContact NE2-ND2 3.4Å; Q407-N433 VanDerWaalsContact NE2-ND2 3.18Å; F408-N433 CarbonylContact O-C 3.55Å; F408-N433 WeakPolarHBondContact O-CA 3.34Å; T429-N433 CarbonylContact C-O 3.57Å; T429-N433 WeakPolarHBondContact CA-O 3.49Å; Q430-N433 PolarHBondContact N-O 3.45Å; Q430-N433 PolarHBondContact O-N 3.18Å; Q430-N433 VanDerWaalsContact O-N 3.1Å
434M84.9Confident81Confident28 Ų2862.4 Ų62.414%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-91.7139.2167.7-54.8-157.1106.800109.5Q407 F408 Q410 L427Q407-M434 CarbonylContact C-O 3.53Å; Q407-M434 VanDerWaalsContact CA-O 3.29Å; Q407-M434 WeakPolarHBondContact CA-O 3.38Å; F408-M434 HydrophobicContact CD1-CB 4.2Å; F408-M434 WeakPolarHBondContact CD1-O 3.34Å; F408-M434 HydrophobicContact CD2-CB 4.12Å; F408-M434 HydrophobicContact CE1-CB 3.74Å; F408-M434 HydrophobicContact CE2-CB 3.68Å; F408-M434 HydrophobicContact CE2-CG 4.07Å; F408-M434 HydrophobicContact CE2-SD 3.9Å; F408-M434 HydrophobicContact CG-CB 4.37Å; F408-M434 HydrophobicContact CZ-CB 3.47Å; F408-M434 VanDerWaalsContact CZ-CB 3.47Å; F408-M434 HydrophobicContact CZ-CG 4.26Å; F408-M434 HydrophobicContact CZ-SD 4.14Å; F408-M434 PolarHBondContact N-O 3.32Å; F408-M434 PolarHBondContact O-N 3.28Å; Q410-M434 HydrophobicContact CB-CG 3.85Å; Q410-M434 HydrophobicContact CB-SD 4.25Å; Q410-M434 HydrophobicContact CG-CE 4.31Å; Q410-M434 HydrophobicContact CG-CG 4.27Å; Q410-M434 HydrophobicContact CG-SD 4.07Å; L427-M434 HydrophobicContact CD2-CB 4.19Å; L427-M434 HydrophobicContact CD2-CE 3.45Å; L427-M434 VanDerWaalsContact CD2-CE 3.45Å; L427-M434 HydrophobicContact CD2-CG 4.49Å; L427-M434 HydrophobicContact CD2-SD 4.06Å
435C87.9Confident82.6Confident3 Ų356.1 Ų56.12%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-127.9132.8-179.2-67.50000110.6I406 T428I406-C435 VanDerWaalsContact O-CA 3.32Å; I406-C435 WeakPolarHBondContact O-CA 3.24Å; T428-C435 PolarHBondContact N-O 3.41Å; T428-C435 PolarHBondContact O-N 3.42Å; T428-C435 PolarHBondContact OG1-O 3.04Å
436I88.1Confident84.4Confident0 Ų058.4 Ų58.40%032%0.322CS..EExtended strand (participates in β ladder)trans-128.1125175.6-54154.2000108.4I405 I406 F408 M418 I423 L427 V438 I451I405-I436 CarbonylContact C-O 3.59Å; I405-I436 WeakPolarHBondContact CA-O 3.35Å; I406-I436 PolarHBondContact N-O 3Å; I406-I436 PolarHBondContact O-N 3.29Å; F408-I436 HydrophobicContact CE1-CD1 3.47Å; F408-I436 VanDerWaalsContact CE1-CD1 3.47Å; F408-I436 HydrophobicContact CE1-CG1 4Å; F408-I436 HydrophobicContact CZ-CD1 3.89Å; M418-I436 HydrophobicContact CE-CD1 3.59Å; M418-I436 HydrophobicContact CE-CG1 4.02Å; M418-I436 HydrophobicContact CE-CG2 4.37Å; M418-I436 HydrophobicContact SD-CD1 3.34Å; M418-I436 WeakPolarHBondContact SD-CD1 3.41Å; M418-I436 HydrophobicContact SD-CG1 4.29Å; I423-I436 HydrophobicContact CG2-CG2 4.48Å; L427-I436 HydrophobicContact CD1-CD1 4.13Å; L427-I436 HydrophobicContact CD1-CG1 3.83Å; L427-I436 HydrophobicContact CG-CG1 3.84Å; I436-V438 HydrophobicContact CB-CG1 4.45Å; I436-V438 HydrophobicContact CG2-CG1 4.02Å; I436-V438 PolarHBondContact O-N 3.21Å; I436-I451 HydrophobicContact CD1-CD1 4.24Å
437E90.4Very high85.9Confident70 Ų7053.1 Ų53.133%0.32730%0.297SS..EExtended strand (participates in β ladder)trans-76122167-169.6177.481.800110.2P403 I405 P440P403-E437 WeakPolarHBondContact CB-OE2 3.4Å; I405-E437 HydrophobicContact CG2-CB 4.13Å; I405-E437 HydrophobicContact CG2-CG 4.37Å; E437-P440 WeakPolarHBondContact OE1-CB 3.45Å
438V92Very high87.1Confident0 Ų052.2 Ų52.20%030%0.296CS..EExtended strand (participates in β ladder)trans-108-37.2-174.1-65.80000111.9I404 I406 I423 I436 R449 M500 F508I404-V438 HydrophobicContact CB-CG2 4.31Å; I404-V438 HydrophobicContact CG2-CG2 4.04Å; I404-V438 VanDerWaalsContact O-CG2 3.3Å; I404-V438 WeakPolarHBondContact O-CG2 3.47Å; I404-V438 PolarHBondContact O-N 3.46Å; I406-V438 HydrophobicContact CD1-CG2 4.11Å; I406-V438 HydrophobicContact CG1-CG1 3.76Å; I406-V438 HydrophobicContact CG1-CG2 3.89Å; I423-V438 HydrophobicContact CD1-CG1 4.22Å; I436-V438 HydrophobicContact CB-CG1 4.45Å; I436-V438 HydrophobicContact CG2-CG1 4.02Å; I436-V438 PolarHBondContact O-N 3.21Å; V438-R449 WeakPolarHBondContact O-CD 3.25Å; V438-R449 PolarHBondContact O-NH1 3.29Å; V438-M500 HydrophobicContact CB-CE 4.02Å; V438-M500 HydrophobicContact CB-SD 4.22Å; V438-M500 HydrophobicContact CG1-CE 3.52Å; V438-M500 HydrophobicContact CG1-SD 3.81Å; V438-M500 HydrophobicContact CG2-SD 4.22Å; V438-F508 HydrophobicContact CG2-CE2 4.34Å
439F93.2Very high87.9Confident0 Ų050.7 Ų50.70%028%0.283CS..EExtended strand (participates in β ladder)trans-123.199.8173.5-65.1-70.9000109.1P403 I404 H443 R449 M500 M502 F508P403-F439 CarbonylContact C-O 3.55Å; P403-F439 VanDerWaalsContact CA-O 3.26Å; P403-F439 WeakPolarHBondContact CA-O 3.3Å; I404-F439 HydrophobicContact CB-CB 4.29Å; I404-F439 HydrophobicContact CB-CD2 4.4Å; I404-F439 HydrophobicContact CD1-CD2 4.42Å; I404-F439 PolarHBondContact N-O 2.77Å; I404-F439 PolarHBondContact O-N 3.42Å; F439-H443 AromaticContact CD1-CD2 3.69Å; F439-R449 HydrophobicContact CE1-CG 4.01Å; F439-R449 HydrophobicContact CZ-CG 4.47Å; F439-M500 HydrophobicContact CE2-CB 4.29Å; F439-M502 HydrophobicContact CD1-CG 3.95Å; F439-M502 HydrophobicContact CD2-CG 3.65Å; F439-M502 HydrophobicContact CD2-SD 4.43Å; F439-M502 HydrophobicContact CE1-CB 4.4Å; F439-M502 HydrophobicContact CE1-CG 4.02Å; F439-M502 HydrophobicContact CE2-CG 3.73Å; F439-M502 HydrophobicContact CG-CG 3.77Å; F439-M502 HydrophobicContact CZ-CB 4.37Å; F439-M502 HydrophobicContact CZ-CG 3.92Å; F439-F508 HydrophobicContact CD2-CD2 4.06Å; F439-F508 HydrophobicContact CD2-CE2 4.22Å; F439-F508 AromaticContact CE2-CD2 3.86Å; F439-F508 HydrophobicContact CE2-CD2 3.86Å; F439-F508 AromaticContact CE2-CE2 3.86Å; F439-F508 HydrophobicContact CE2-CE2 3.86Å
440P93Very high88.9Confident37 Ų3749.3 Ų49.324%0.2427%0.271CS..  trans-69.8166.5179.623.1-29.2000112.6E437 L442 H443E437-P440 WeakPolarHBondContact OE1-CB 3.45Å; P440-L442 PolarHBondContact O-N 2.72Å; P440-H443 HydrophobicContact CG-CB 3.96Å; P440-H443 WeakPolarHBondContact O-CB 3.14Å; P440-H443 PolarHBondContact O-N 3.02Å; P440-H443 VanDerWaalsContact O-N 3.1Å
441F93.5Very high89.7Confident96 Ų9643.5 Ų43.542%0.42124%0.244SC..THydrogen-bonded Turntrans-56.3135.3172.7-171.6-128.1000111.1V329 L401 P403 H443V329-F441 HydrophobicContact CG1-CE1 3.84Å; V329-F441 HydrophobicContact CG1-CZ 3.78Å; L401-F441 WeakPolarHBondContact O-CD2 3.2Å; L401-F441 WeakPolarHBondContact O-CE2 3.49Å; P403-F441 HydrophobicContact CG-CB 3.82Å; F441-H443 PolarHBondContact O-N 3.49Å
442L93.5Very high90.3Very high55 Ų5541.5 Ų41.529%0.28822%0.217SC..THydrogen-bonded Turntrans62.812.9-175.7-52.7176.6000115.9V329 P399 C400 P440V329-L442 HydrophobicContact CG1-CD1 4.43Å; P399-L442 HydrophobicContact CB-CB 4.33Å; P399-L442 HydrophobicContact CB-CD2 3.75Å; P399-L442 HydrophobicContact CG-CD2 4.19Å; C400-L442 WeakPolarHBondContact O-CA 3.46Å; C400-L442 PolarHBondContact O-N 2.99Å; P440-L442 PolarHBondContact O-N 2.72Å
443H93.7Very high90.9Very high34 Ų3433.8 Ų33.816%0.15718%0.184CC..  trans-61.3130.3171.6-172.878.8000111.2P399 C400 F439 P440 F441 I445 S447P399-H443 CarbonylContact C-O 3.53Å; C400-H443 HydrophobicContact CB-CB 4.14Å; C400-H443 WeakPolarHBondContact CB-O 3.47Å; C400-H443 PolarHBondContact N-O 3.45Å; F439-H443 AromaticContact CD1-CD2 3.69Å; P440-H443 HydrophobicContact CG-CB 3.96Å; P440-H443 WeakPolarHBondContact O-CB 3.14Å; P440-H443 PolarHBondContact O-N 3.02Å; P440-H443 VanDerWaalsContact O-N 3.1Å; F441-H443 PolarHBondContact O-N 3.49Å; H443-I445 PolarHBondContact O-N 2.84Å; H443-S447 WeakPolarHBondContact NE2-CB 3.48Å; H443-S447 PolarHBondContact NE2-OG 3Å
444P95Very high91.1Very high64 Ų6433.7 Ų33.742%0.41618%0.183SC..EExtended strand (participates in β ladder)trans-59.6135.5179.4-25.635.4000113.3V397 E398 S447V397-P444 HydrophobicContact CG1-CB 4.08Å; E398-P444 CarbonylContact O-C 3.56Å; E398-P444 WeakPolarHBondContact O-CA 3.33Å; P444-S447 WeakPolarHBondContact O-CB 3.39Å
445I95Very high91.2Very high21 Ų2133.1 Ų33.111%0.10818%0.18CC..EExtended strand (participates in β ladder)trans-125.3148.7174.359.4170.5000110.8E398 C400 H443 M502E398-I445 HydrophobicContact CB-CG1 4.06Å; E398-I445 WeakPolarHBondContact O-CG1 3.46Å; E398-I445 PolarHBondContact O-N 2.85Å; C400-I445 HydrophobicContact CB-CG2 4.1Å; H443-I445 PolarHBondContact O-N 2.84Å; I445-M502 HydrophobicContact CB-CB 4.21Å; I445-M502 HydrophobicContact CD1-CE 4.5Å; I445-M502 HydrophobicContact CG2-CB 3.58Å; I445-M502 HydrophobicContact CG2-CG 3.98Å
446P95.6Very high91.1Very high70 Ų7036.5 Ų36.546%0.45520%0.195SC..SBendcis-69.5146.40.631.3-37.5000113.2M502 T504P446-M502 VanDerWaalsContact CA-O 3.31Å; P446-M502 WeakPolarHBondContact CA-O 3.47Å; P446-M502 WeakPolarHBondContact CB-O 3.32Å; P446-T504 HydrophobicContact CB-CG2 4.3Å; P446-T504 HydrophobicContact CG-CG2 3.97Å
447S95Very high91.1Very high28 Ų2837 Ų3720%0.19620%0.201CC..EExtended strand (participates in β ladder)trans-151.8150.9-179.3-177.80000110.9H443 P444 R501 M502H443-S447 WeakPolarHBondContact NE2-CB 3.48Å; H443-S447 PolarHBondContact NE2-OG 3Å; P444-S447 WeakPolarHBondContact O-CB 3.39Å; S447-R501 WeakPolarHBondContact O-CA 3.43Å; S447-M502 PolarHBondContact N-O 2.85Å; S447-M502 PolarHBondContact O-N 3.05Å
448S94.5Very high91.1Very high40 Ų4035.5 Ų35.528%0.2820%0.2SC..EExtended strand (participates in β ladder)trans-117.5148169.2-59.70000109.5M500 R501S448-M500 CarbonylContact C-O 3.51Å; S448-M500 WeakPolarHBondContact CA-O 3.38Å; S448-R501 WeakPolarHBondContact OG-CG 3.44Å
449R91.5Very high91.1Very high32 Ų3236.3 Ų36.312%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-142.2153.7171.7-62.2-171111.5174.96.7110.5E422 I423 V438 F439 M500E422-R449 PolarHBondContact O-NE 3.42Å; E422-R449 PolarHBondContact O-NH2 2.99Å; E422-R449 WeakPolarHBondContact OE2-CA 3.27Å; I423-R449 HydrophobicContact CD1-CB 3.77Å; I423-R449 HydrophobicContact CG1-CB 3.94Å; I423-R449 HydrophobicContact CG1-CG 4.47Å; V438-R449 WeakPolarHBondContact O-CD 3.25Å; V438-R449 PolarHBondContact O-NH1 3.29Å; F439-R449 HydrophobicContact CE1-CG 4.01Å; F439-R449 HydrophobicContact CZ-CG 4.47Å; R449-M500 PolarHBondContact N-O 2.95Å; R449-M500 PolarHBondContact O-N 3.05Å
450Q90.5Very high91.1Very high49 Ų4939.8 Ų39.823%0.22923%0.225CC..EExtended strand (participates in β ladder)trans-119.7139.4-172.8-64.1163.458.200112E422 I423 L498 K499E422-Q450 PolarHBondContact OE1-NE2 2.87Å; E422-Q450 PolarHBondContact OE2-N 3.32Å; E422-Q450 PolarHBondContact OE2-NE2 3.44Å; I423-Q450 WeakPolarHBondContact CD1-O 3.48Å; Q450-L498 VanDerWaalsContact CA-O 3.29Å; Q450-L498 WeakPolarHBondContact CA-O 3.46Å; Q450-K499 HydrophobicContact CG-CB 4.31Å; Q450-K499 HydrophobicContact CG-CG 4.11Å
451I87.2Confident91.1Very high1 Ų138.1 Ų38.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-123.1153.6167.259.9179.3000110.1M418 T420 I423 I436 L453 K497 L498 M500M418-I451 HydrophobicContact CE-CG2 4.45Å; M418-I451 HydrophobicContact SD-CB 4.46Å; T420-I451 HydrophobicContact CG2-CB 4.3Å; T420-I451 HydrophobicContact CG2-CG2 3.79Å; I423-I451 HydrophobicContact CD1-CG2 3.58Å; I436-I451 HydrophobicContact CD1-CD1 4.24Å; I451-L453 HydrophobicContact CD1-CD1 4.29Å; I451-L453 HydrophobicContact CD1-CD2 4.48Å; I451-L453 HydrophobicContact CD1-CG 4.33Å; I451-K497 WeakPolarHBondContact O-CA 3.5Å; I451-L498 HydrophobicContact CD1-CD1 3.95Å; I451-L498 HydrophobicContact CG1-CB 3.84Å; I451-L498 HydrophobicContact CG1-CD1 4.02Å; I451-L498 HydrophobicContact CG1-CG 4.39Å; I451-L498 PolarHBondContact N-O 2.94Å; I451-L498 PolarHBondContact O-N 2.98Å; I451-M500 HydrophobicContact CB-CE 4.22Å; I451-M500 HydrophobicContact CD1-CE 3.96Å; I451-M500 HydrophobicContact CD1-SD 4.17Å; I451-M500 HydrophobicContact CG1-CE 3.78Å; I451-M500 HydrophobicContact CG1-SD 4.47Å; I451-M500 HydrophobicContact CG2-CE 3.65Å
452V87Confident91.2Very high30 Ų3035.6 Ų35.618%0.18220%0.204CC..EExtended strand (participates in β ladder)trans-121.3122.3170.5-1780000107.7M418 K495 I496 K497M418-V452 WeakPolarHBondContact CG-O 3.4Å; V452-K495 HydrophobicContact CG1-CB 4.08Å; V452-K495 HydrophobicContact CG1-CG 4.32Å; V452-I496 WeakPolarHBondContact CA-O 3.42Å; V452-K497 HydrophobicContact CG2-CB 4.31Å; V452-K497 HydrophobicContact CG2-CG 4.26Å
453L86.1Confident91.4Very high4 Ų433 Ų332%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-110.3148.6176-60.1176.9000109.4F408 M418 I451 Q455 F459 L461 K495 I496 L498F408-L453 HydrophobicContact CE1-CD2 4.41Å; F408-L453 HydrophobicContact CE2-CD2 3.91Å; F408-L453 HydrophobicContact CZ-CD2 3.73Å; M418-L453 HydrophobicContact CG-CD2 4.12Å; M418-L453 HydrophobicContact SD-CD2 3.59Å; M418-L453 VanDerWaalsContact SD-CD2 3.59Å; I451-L453 HydrophobicContact CD1-CD1 4.29Å; I451-L453 HydrophobicContact CD1-CD2 4.48Å; I451-L453 HydrophobicContact CD1-CG 4.33Å; L453-Q455 HydrophobicContact CB-CG 4.35Å; L453-F459 HydrophobicContact CD1-CE2 3.73Å; L453-F459 HydrophobicContact CD1-CZ 4.29Å; L453-L461 HydrophobicContact CD1-CD2 4.05Å; L453-K495 CarbonylContact O-C 3.59Å; L453-K495 WeakPolarHBondContact O-CA 3.4Å; L453-I496 PolarHBondContact N-O 3.41Å; L453-I496 PolarHBondContact O-N 2.92Å; L453-L498 HydrophobicContact CD1-CD1 3.73Å; L453-L498 HydrophobicContact CG-CD1 4.38Å
454L86.2Confident91.5Very high45 Ų4533.8 Ų33.824%0.23619%0.192CC..EExtended strand (participates in β ladder)trans-93.6132.4162.6-83.1-179.5000108.7C417 P493 R494 K495C417-L454 HydrophobicContact CB-CB 4.36Å; C417-L454 HydrophobicContact CB-CD1 3.25Å; C417-L454 HydrophobicContact CB-CG 3.52Å; L454-P493 HydrophobicContact CB-CB 4.2Å; L454-P493 HydrophobicContact CD2-CB 4.45Å; L454-R494 WeakPolarHBondContact CA-O 3Å; L454-K495 HydrophobicContact CD2-CB 4.49Å; L454-K495 HydrophobicContact CD2-CG 3.81Å
455Q86Confident91.6Very high16 Ų1631.5 Ų31.58%0.07518%0.175CC..EExtended strand (participates in β ladder)trans-147.2147.1-178.9-66.2-68.1-59.900111.6E411 L453 F459 P493 R494 I496E411-Q455 WeakPolarHBondContact OE2-CA 3.45Å; L453-Q455 HydrophobicContact CB-CG 4.35Å; Q455-F459 HydrophobicContact CB-CD1 4.1Å; Q455-F459 HydrophobicContact CB-CE1 4.4Å; Q455-F459 HydrophobicContact CG-CB 4.41Å; Q455-F459 HydrophobicContact CG-CD1 3.66Å; Q455-F459 HydrophobicContact CG-CD2 4.05Å; Q455-F459 HydrophobicContact CG-CE1 3.83Å; Q455-F459 HydrophobicContact CG-CE2 4.19Å; Q455-F459 HydrophobicContact CG-CG 3.79Å; Q455-F459 HydrophobicContact CG-CZ 4.09Å; Q455-F459 VanDerWaalsContact OE1-CG 3.28Å; Q455-P493 CarbonylContact O-C 3.43Å; Q455-P493 WeakPolarHBondContact O-CA 3.46Å; Q455-R494 PolarHBondContact N-O 3.25Å; Q455-R494 VanDerWaalsContact N-O 3.11Å; Q455-R494 PolarHBondContact O-N 3.49Å; Q455-I496 HydrophobicContact CB-CD1 3.96Å; Q455-I496 HydrophobicContact CG-CD1 4.41Å
456H87.2Confident91.5Very high74 Ų7432.3 Ų32.334%0.34319%0.185SC..EExtended strand (participates in β ladder)trans-83.1-4.2174.3-87.2-84.7000115.1E411 F490 P493E411-H456 WeakPolarHBondContact OE1-CB 3.48Å; E411-H456 IonicContact OE1-CD2 3.63Å; E411-H456 PolarHBondContact OE1-N 3.14Å; E411-H456 IonicContact OE2-CD2 2.93Å; E411-H456 PolarHBondContact OE2-N 3.05Å; H456-F490 PolarHBondContact ND1-O 3.44Å; H456-F490 PolarHBondContact O-N 2.89Å; H456-P493 WeakPolarHBondContact NE2-CD 3.47Å
457G87.4Confident91.3Very high11 Ų1132.9 Ų32.911%0.11318%0.184CC..EExtended strand (participates in β ladder)trans175.3-146.2-179.700000112.5F459 Q488G457-F459 WeakPolarHBondContact O-CD1 3.36Å; G457-Q488 WeakPolarHBondContact CA-O 3.47Å
458A90.5Very high91.2Very high38 Ų3836.4 Ų36.431%0.31420%0.196SC..  trans-68.5141.1168.400000112.1I483 D485 Q488A458-I483 WeakPolarHBondContact CA-O 3.47Å; A458-I483 VanDerWaalsContact CB-O 3.29Å; A458-I483 WeakPolarHBondContact CB-O 3.42Å; A458-D485 VanDerWaalsContact CB-C 3.48Å; A458-D485 VanDerWaalsContact CB-O 3.29Å; A458-D485 WeakPolarHBondContact CB-O 3.49Å; A458-Q488 PolarHBondContact N-O 2.83Å
459F91.5Very high91Very high17 Ų1741.3 Ų41.38%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-146.7164.3-172.666.1-73.9000111.2L453 Q455 G457 L461 K482 I483 I496 L498L453-F459 HydrophobicContact CD1-CE2 3.73Å; L453-F459 HydrophobicContact CD1-CZ 4.29Å; Q455-F459 HydrophobicContact CB-CD1 4.1Å; Q455-F459 HydrophobicContact CB-CE1 4.4Å; Q455-F459 HydrophobicContact CG-CB 4.41Å; Q455-F459 HydrophobicContact CG-CD1 3.66Å; Q455-F459 HydrophobicContact CG-CD2 4.05Å; Q455-F459 HydrophobicContact CG-CE1 3.83Å; Q455-F459 HydrophobicContact CG-CE2 4.19Å; Q455-F459 HydrophobicContact CG-CG 3.79Å; Q455-F459 HydrophobicContact CG-CZ 4.09Å; Q455-F459 VanDerWaalsContact OE1-CG 3.28Å; G457-F459 WeakPolarHBondContact O-CD1 3.36Å; F459-L461 HydrophobicContact CD2-CD2 3.92Å; F459-L461 HydrophobicContact CD2-CG 4.08Å; F459-L461 HydrophobicContact CE2-CD1 3.93Å; F459-L461 HydrophobicContact CE2-CD2 3.67Å; F459-L461 HydrophobicContact CE2-CG 3.78Å; F459-K482 WeakPolarHBondContact O-CA 3.09Å; F459-I483 HydrophobicContact CD1-CB 3.95Å; F459-I483 HydrophobicContact CD1-CG2 4.34Å; F459-I483 HydrophobicContact CE1-CB 3.48Å; F459-I483 VanDerWaalsContact CE1-CB 3.48Å; F459-I483 HydrophobicContact CE1-CG1 4.15Å; F459-I483 HydrophobicContact CE1-CG2 3.5Å; F459-I483 VanDerWaalsContact CE1-CG2 3.5Å; F459-I483 HydrophobicContact CE2-CB 4.31Å; F459-I483 HydrophobicContact CE2-CG1 4.11Å; F459-I483 HydrophobicContact CZ-CB 3.7Å; F459-I483 HydrophobicContact CZ-CG1 3.83Å; F459-I483 HydrophobicContact CZ-CG2 3.79Å; F459-I483 PolarHBondContact N-O 3.48Å; F459-I483 VanDerWaalsContact N-O 3.13Å; F459-I483 PolarHBondContact O-N 2.81Å; F459-I496 HydrophobicContact CD1-CD1 4.24Å; F459-I496 HydrophobicContact CE1-CB 4.48Å; F459-I496 HydrophobicContact CE1-CD1 3.58Å; F459-I496 HydrophobicContact CE1-CG2 4.12Å; F459-I496 HydrophobicContact CZ-CD1 4.45Å; F459-I496 HydrophobicContact CZ-CG2 4.13Å; F459-L498 HydrophobicContact CE2-CD1 4.31Å; F459-L498 HydrophobicContact CZ-CD1 4.18Å; F459-L498 HydrophobicContact CZ-CD2 4.39Å
460T92.9Very high90.8Very high73 Ų7343.3 Ų43.345%0.44823%0.232SC..EExtended strand (participates in β ladder)trans-117.8138-177.2-54.60000110.9T480T460-T480 HydrophobicContact CG2-CG2 3.3Å
461L93.5Very high90.9Very high3 Ų341.2 Ų41.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-120.4145.9175-57170.8000109I406 F408 L453 F459 T480 F481 I483 L498 I510I406-L461 HydrophobicContact CG2-CB 4.16Å; I406-L461 HydrophobicContact CG2-CD2 4.05Å; I406-L461 HydrophobicContact CG2-CG 4.48Å; F408-L461 HydrophobicContact CB-CD2 3.44Å; F408-L461 VanDerWaalsContact CB-CD2 3.44Å; F408-L461 HydrophobicContact CD1-CD2 4.28Å; F408-L461 HydrophobicContact CG-CD2 3.96Å; L453-L461 HydrophobicContact CD1-CD2 4.05Å; F459-L461 HydrophobicContact CD2-CD2 3.92Å; F459-L461 HydrophobicContact CD2-CG 4.08Å; F459-L461 HydrophobicContact CE2-CD1 3.93Å; F459-L461 HydrophobicContact CE2-CD2 3.67Å; F459-L461 HydrophobicContact CE2-CG 3.78Å; L461-T480 CarbonylContact O-C 3.4Å; L461-T480 WeakPolarHBondContact O-CA 3.41Å; L461-F481 HydrophobicContact CB-CB 4.35Å; L461-F481 PolarHBondContact N-O 3Å; L461-F481 PolarHBondContact O-N 3.41Å; L461-I483 HydrophobicContact CD1-CD1 4.41Å; L461-I483 HydrophobicContact CD1-CG1 3.94Å; L461-I483 HydrophobicContact CG-CG1 4.45Å; L461-L498 HydrophobicContact CD1-CD1 3.52Å; L461-I510 HydrophobicContact CD1-CD1 3.56Å
462E95.7Very high90.9Very high43 Ų4342.2 Ų42.220%0.20123%0.229CC..EExtended strand (participates in β ladder)trans-117.2121.9168-165.1178109.600109.3Q407 R464 V477Q407-E462 HydrophobicContact CB-CB 4.48Å; Q407-E462 PolarHBondContact N-O 3Å; Q407-E462 PolarHBondContact O-N 3.33Å; E462-R464 HydrophobicContact CB-CG 4.39Å; E462-R464 HydrophobicContact CG-CG 4.03Å; E462-R464 WeakPolarHBondContact OE1-CD 3.46Å; E462-R464 IonicContact OE1-CZ 3.34Å; E462-R464 VanDerWaalsContact OE1-CZ 3.32Å; E462-R464 IonicContact OE1-NE 2.87Å; E462-R464 PolarHBondContact OE1-NE 3.36Å; E462-R464 IonicContact OE1-NH2 3.7Å; E462-R464 PolarHBondContact OE1-NH2 2.93Å; E462-V477 HydrophobicContact CG-CG1 3.88Å; E462-V477 WeakPolarHBondContact OE1-CG2 3.38Å
463A96.6Very high90.7Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-84.1129.5168.800000108.7I406 I478 G479 F481 F508I406-A463 HydrophobicContact CD1-CB 3.96Å; A463-I478 HydrophobicContact CB-CB 4.11Å; A463-I478 HydrophobicContact CB-CD1 4.48Å; A463-I478 HydrophobicContact CB-CG2 4.44Å; A463-I478 WeakPolarHBondContact O-CB 3.41Å; A463-I478 PolarHBondContact O-N 2.74Å; A463-G479 PolarHBondContact N-O 3.32Å; A463-G479 PolarHBondContact O-N 3.36Å; A463-F481 HydrophobicContact CB-CD2 4.35Å; A463-F481 HydrophobicContact CB-CE2 3.73Å; A463-F508 HydrophobicContact CB-CD1 3.76Å; A463-F508 HydrophobicContact CB-CE1 3.49Å; A463-F508 VanDerWaalsContact CB-CE1 3.49Å; A463-F508 HydrophobicContact CB-CZ 4.12Å
464R96.7Very high90.8Very high51 Ų5144.6 Ų44.619%0.19224%0.238CC..EExtended strand (participates in β ladder)trans-136.3155.8-175.3-31.2-17988.2-162.25111.2I404 I405 Q407 E462 I476I404-R464 CarbonylContact C-O 3.6Å; I404-R464 WeakPolarHBondContact CA-O 3.32Å; I405-R464 HydrophobicContact CD1-CB 4.27Å; I405-R464 HydrophobicContact CG1-CB 3.81Å; I405-R464 HydrophobicContact CG1-CG 4.3Å; I405-R464 PolarHBondContact N-O 2.73Å; I405-R464 PolarHBondContact O-N 2.97Å; Q407-R464 HydrophobicContact CB-CG 4.32Å; E462-R464 HydrophobicContact CB-CG 4.39Å; E462-R464 HydrophobicContact CG-CG 4.03Å; E462-R464 WeakPolarHBondContact OE1-CD 3.46Å; E462-R464 IonicContact OE1-CZ 3.34Å; E462-R464 VanDerWaalsContact OE1-CZ 3.32Å; E462-R464 IonicContact OE1-NE 2.87Å; E462-R464 PolarHBondContact OE1-NE 3.36Å; E462-R464 IonicContact OE1-NH2 3.7Å; E462-R464 PolarHBondContact OE1-NH2 2.93Å; R464-I476 CarbonylContact C-O 3.57Å; R464-I476 WeakPolarHBondContact CA-O 3.28Å; R464-I476 WeakPolarHBondContact CB-O 3.48Å
465Y96.2Very high91Very high15 Ų1545 Ų456%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-76.6140161.1-64.3-58.8000110.5T151 D152 Y402 P403 I404 L471 I476 I478T151-Y465 WeakPolarHBondContact CB-OH 3.43Å; T151-Y465 HydrophobicContact CG2-CE2 3.97Å; D152-Y465 WeakPolarHBondContact CB-OH 3.4Å; D152-Y465 PolarHBondContact N-OH 3.47Å; Y402-Y465 HydrophobicContact CD2-CE1 4.38Å; Y402-Y465 HydrophobicContact CG-CD1 4.4Å; Y402-Y465 HydrophobicContact CG-CE1 4.36Å; P403-Y465 CarbonylContact O-C 3.59Å; P403-Y465 WeakPolarHBondContact O-CA 3.44Å; I404-Y465 HydrophobicContact CG1-CD1 4.29Å; I404-Y465 HydrophobicContact CG1-CE1 4.23Å; Y465-L471 HydrophobicContact CD2-CD1 3.56Å; Y465-L471 HydrophobicContact CD2-CD2 3.97Å; Y465-L471 HydrophobicContact CD2-CG 4.43Å; Y465-L471 HydrophobicContact CE2-CD1 4.49Å; Y465-L471 HydrophobicContact CE2-CD2 4.43Å; Y465-L471 HydrophobicContact CG-CD1 3.94Å; Y465-L471 HydrophobicContact CG-CD2 4.07Å; Y465-I476 PolarHBondContact N-O 2.9Å; Y465-I478 HydrophobicContact CD1-CD1 3.91Å; Y465-I478 HydrophobicContact CD1-CG1 4.36Å; Y465-I478 HydrophobicContact CD2-CD1 4.4Å; Y465-I478 HydrophobicContact CD2-CG1 3.97Å; Y465-I478 HydrophobicContact CE1-CD1 3.64Å; Y465-I478 HydrophobicContact CE1-CG1 4.04Å; Y465-I478 HydrophobicContact CE2-CD1 4.17Å; Y465-I478 HydrophobicContact CE2-CG1 3.61Å; Y465-I478 HydrophobicContact CG-CD1 4.28Å; Y465-I478 HydrophobicContact CG-CG1 4.33Å
466A93.3Very high91.4Very high39 Ų3946.1 Ų46.132%0.32225%0.246SC..SBendtrans-64.7-42.9-177.800000113P403 I405P403-A466 HydrophobicContact CB-CB 3.93Å; P403-A466 PolarHBondContact O-N 3.34Å; I405-A466 HydrophobicContact CG2-CB 3.99Å
467N92.1Very high91.8Very high82 Ų8245 Ų4544%0.43925%0.245SC..  trans-115.2123.5-172.9-63.5-17.6000110.7D470N467-D470 HydrophobicContact CB-CB 4.23Å; N467-D470 WeakPolarHBondContact CB-OD2 3.03Å; N467-D470 PolarHBondContact ND2-OD2 3.37Å
468K92.2Very high92.2Very high102 Ų10245 Ų4544%0.44324%0.242SC..SBendtrans-70.6-40.2176.6-176.3177.5174.8-1730112.7D470 L471 Q474 I476K468-D470 VanDerWaalsContact C-N 3.31Å; K468-D470 PolarHBondContact O-N 2.8Å; K468-L471 WeakPolarHBondContact O-CB 3.4Å; K468-L471 PolarHBondContact O-N 2.89Å; K468-Q474 WeakPolarHBondContact CE-O 3.38Å; K468-Q474 HydrophobicContact CG-CB 4.06Å; K468-I476 HydrophobicContact CB-CG2 3.66Å; K468-I476 HydrophobicContact CG-CG2 3.99Å
469D90.5Very high92.5Very high143 Ų14343.3 Ų43.377%0.76523%0.228SC*.THydrogen-bonded Turntrans-78.3-15.6-168.9-55.9-46.4000113.5L471D469-L471 VanDerWaalsContact C-N 3.26Å; D469-L471 PolarHBondContact O-N 3.04Å
470D88.6Confident92.7Very high74 Ų7444.8 Ų44.840%0.39624%0.239SC..THydrogen-bonded Turntrans-76.5-11.8171.7-71.5-44.7000112.8Y402 N467 K468Y402-D470 WeakPolarHBondContact CE1-O 3.14Å; N467-D470 HydrophobicContact CB-CB 4.23Å; N467-D470 WeakPolarHBondContact CB-OD2 3.03Å; N467-D470 PolarHBondContact ND2-OD2 3.37Å; K468-D470 VanDerWaalsContact C-N 3.31Å; K468-D470 PolarHBondContact O-N 2.8Å
471L91.7Very high92.9Very high5 Ų541.3 Ų41.33%0.02622%0.218CC..  trans-99.8121.8-174.7-56.1175.6000111.6T151 Y402 Y465 K468 D469 N473 Q474 N475 I476T151-L471 HydrophobicContact CG2-CD2 4.04Å; Y402-L471 HydrophobicContact CD1-CD2 3.62Å; Y402-L471 HydrophobicContact CD2-CD2 3.99Å; Y402-L471 HydrophobicContact CE1-CD2 3.81Å; Y402-L471 HydrophobicContact CE2-CD2 4.18Å; Y402-L471 HydrophobicContact CG-CD2 3.7Å; Y465-L471 HydrophobicContact CD2-CD1 3.56Å; Y465-L471 HydrophobicContact CD2-CD2 3.97Å; Y465-L471 HydrophobicContact CD2-CG 4.43Å; Y465-L471 HydrophobicContact CE2-CD1 4.49Å; Y465-L471 HydrophobicContact CE2-CD2 4.43Å; Y465-L471 HydrophobicContact CG-CD1 3.94Å; Y465-L471 HydrophobicContact CG-CD2 4.07Å; K468-L471 WeakPolarHBondContact O-CB 3.4Å; K468-L471 PolarHBondContact O-N 2.89Å; D469-L471 VanDerWaalsContact C-N 3.26Å; D469-L471 PolarHBondContact O-N 3.04Å; L471-N473 PolarHBondContact O-N 2.67Å; L471-N473 VanDerWaalsContact O-N 3.15Å; L471-Q474 PolarHBondContact O-N 3.35Å; L471-N475 VanDerWaalsContact CD1-O 3.32Å; L471-N475 WeakPolarHBondContact CD1-O 3.2Å; L471-I476 HydrophobicContact CD1-CG2 3.98Å
472P86.2Confident93Very high22 Ų2244.7 Ų44.714%0.14323%0.232CC..THydrogen-bonded Turntrans-61-26.9178.9-27.837.1000115S81 Y149 A231 F232S81-P472 WeakPolarHBondContact CB-O 2.95Å; Y149-P472 HydrophobicContact CD2-CB 4.27Å; Y149-P472 HydrophobicContact CD2-CG 3.83Å; Y149-P472 HydrophobicContact CG-CG 4.17Å; A231-P472 HydrophobicContact CB-CB 3.71Å; A231-P472 HydrophobicContact CB-CG 3.7Å; F232-P472 HydrophobicContact CE2-CB 4.04Å; F232-P472 HydrophobicContact CZ-CB 4.12Å
473N83.9Confident93Very high7 Ų742.6 Ų42.64%0.03722%0.222CC..THydrogen-bonded Turntrans-91.4-10.4175.863.424.9000113T151 E154 L471 N475T151-N473 PolarHBondContact OG1-ND2 3.44Å; E154-N473 PolarHBondContact OE1-ND2 2.95Å; E154-N473 PolarHBondContact OE2-ND2 3.15Å; L471-N473 PolarHBondContact O-N 2.67Å; L471-N473 VanDerWaalsContact O-N 3.15Å; N473-N475 PolarHBondContact O-N 2.79Å; N473-N475 VanDerWaalsContact O-N 3.13Å; N473-N475 PolarHBondContact OD1-N 3.35Å
474Q88.9Confident92.7Very high76 Ų7642.9 Ų42.936%0.35523%0.225SC..  trans55.414.7-174.2-60.1-172.19.200115.8K468 L471K468-Q474 WeakPolarHBondContact CE-O 3.38Å; K468-Q474 HydrophobicContact CG-CB 4.06Å; L471-Q474 PolarHBondContact O-N 3.35Å
475N89.9Confident92.3Very high54 Ų5444.1 Ų44.129%0.28924%0.235SC..  trans-91.9105.2178.5-175.24.1000110.1L471 N473 V477L471-N475 VanDerWaalsContact CD1-O 3.32Å; L471-N475 WeakPolarHBondContact CD1-O 3.2Å; N473-N475 PolarHBondContact O-N 2.79Å; N473-N475 VanDerWaalsContact O-N 3.13Å; N473-N475 PolarHBondContact OD1-N 3.35Å; N475-V477 PolarHBondContact OD1-N 2.81Å; N475-V477 VanDerWaalsContact OD1-N 3.17Å
476I94.2Very high91.5Very high39 Ų3946.8 Ų46.820%0.226%0.261CS..  trans-80-14.9-177.959176.9000114.1R464 Y465 K468 L471R464-I476 CarbonylContact C-O 3.57Å; R464-I476 WeakPolarHBondContact CA-O 3.28Å; R464-I476 WeakPolarHBondContact CB-O 3.48Å; Y465-I476 PolarHBondContact N-O 2.9Å; K468-I476 HydrophobicContact CB-CG2 3.66Å; K468-I476 HydrophobicContact CG-CG2 3.99Å; L471-I476 HydrophobicContact CD1-CG2 3.98Å
477V94.6Very high90.9Very high51 Ų5149.2 Ų49.231%0.30928%0.275SS..EExtended strand (participates in β ladder)trans-88.6118.1-173.6-174.10000110.4E462 N475E462-V477 HydrophobicContact CG-CG1 3.88Å; E462-V477 WeakPolarHBondContact OE1-CG2 3.38Å; N475-V477 PolarHBondContact OD1-N 2.81Å; N475-V477 VanDerWaalsContact OD1-N 3.17Å
478I96.5Very high90.3Very high11 Ų1148.7 Ų48.76%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-83.7-44.4175.8-62169.1000109.9D152 I404 A463 Y465 F508 N595D152-I478 HydrophobicContact CB-CG2 3.78Å; I404-I478 HydrophobicContact CB-CD1 4.46Å; I404-I478 HydrophobicContact CD1-CD1 3.89Å; I404-I478 HydrophobicContact CG1-CD1 3.9Å; I404-I478 HydrophobicContact CG2-CD1 3.87Å; A463-I478 HydrophobicContact CB-CB 4.11Å; A463-I478 HydrophobicContact CB-CD1 4.48Å; A463-I478 HydrophobicContact CB-CG2 4.44Å; A463-I478 WeakPolarHBondContact O-CB 3.41Å; A463-I478 PolarHBondContact O-N 2.74Å; Y465-I478 HydrophobicContact CD1-CD1 3.91Å; Y465-I478 HydrophobicContact CD1-CG1 4.36Å; Y465-I478 HydrophobicContact CD2-CD1 4.4Å; Y465-I478 HydrophobicContact CD2-CG1 3.97Å; Y465-I478 HydrophobicContact CE1-CD1 3.64Å; Y465-I478 HydrophobicContact CE1-CG1 4.04Å; Y465-I478 HydrophobicContact CE2-CD1 4.17Å; Y465-I478 HydrophobicContact CE2-CG1 3.61Å; Y465-I478 HydrophobicContact CG-CD1 4.28Å; Y465-I478 HydrophobicContact CG-CG1 4.33Å; I478-F508 HydrophobicContact CG2-CB 4.3Å; I478-F508 HydrophobicContact CG2-CD1 4.43Å; I478-N595 WeakPolarHBondContact O-CB 3.5Å
479G96Very high89.7Confident2 Ų250.6 Ų50.62%0.02128%0.284CS..EExtended strand (participates in β ladder)trans171.4160.7177.200000113.3A463 F481 S594A463-G479 PolarHBondContact N-O 3.32Å; A463-G479 PolarHBondContact O-N 3.36Å; G479-F481 WeakPolarHBondContact O-CD2 3.46Å; G479-F481 WeakPolarHBondContact O-CE2 3.36Å; G479-S594 CarbonylContact C-O 3.57Å; G479-S594 WeakPolarHBondContact CA-O 3.39Å
480T97Very high89.3Confident48 Ų4845.7 Ų45.729%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-102134.3176.6-49.50000109.2T460 L461 S594T460-T480 HydrophobicContact CG2-CG2 3.3Å; L461-T480 CarbonylContact O-C 3.4Å; L461-T480 WeakPolarHBondContact O-CA 3.41Å; T480-S594 PolarHBondContact N-O 2.93Å; T480-S594 PolarHBondContact O-N 2.64Å
481F96.5Very high88.9Confident1 Ų147.5 Ų47.50%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-124115-177.2-60.5-100.4000108.9L461 A463 G479 I483 F508 I510 I591 E592 V593L461-F481 HydrophobicContact CB-CB 4.35Å; L461-F481 PolarHBondContact N-O 3Å; L461-F481 PolarHBondContact O-N 3.41Å; A463-F481 HydrophobicContact CB-CD2 4.35Å; A463-F481 HydrophobicContact CB-CE2 3.73Å; G479-F481 WeakPolarHBondContact O-CD2 3.46Å; G479-F481 WeakPolarHBondContact O-CE2 3.36Å; F481-I483 HydrophobicContact CB-CD1 4.39Å; F481-F508 HydrophobicContact CE1-CE1 4.49Å; F481-F508 HydrophobicContact CE2-CD1 4.18Å; F481-F508 AromaticContact CE2-CE1 3.79Å; F481-F508 HydrophobicContact CE2-CE1 3.79Å; F481-F508 AromaticContact CZ-CD1 3.89Å; F481-F508 HydrophobicContact CZ-CD1 3.89Å; F481-F508 AromaticContact CZ-CE1 3.72Å; F481-F508 HydrophobicContact CZ-CE1 3.72Å; F481-I510 HydrophobicContact CB-CD1 3.71Å; F481-I510 HydrophobicContact CB-CG1 4.49Å; F481-I510 HydrophobicContact CD1-CB 4Å; F481-I510 HydrophobicContact CD1-CD1 3.88Å; F481-I510 HydrophobicContact CD1-CG1 3.7Å; F481-I510 HydrophobicContact CD2-CD1 4.16Å; F481-I510 HydrophobicContact CD2-CG1 4.4Å; F481-I510 HydrophobicContact CE1-CB 4.29Å; F481-I510 HydrophobicContact CE1-CG1 4Å; F481-I510 HydrophobicContact CG-CD1 3.65Å; F481-I510 HydrophobicContact CG-CG1 3.95Å; F481-I510 HydrophobicContact CZ-CG1 4.48Å; F481-I591 HydrophobicContact CD1-CG2 4.12Å; F481-E592 CarbonylContact C-O 3.59Å; F481-E592 WeakPolarHBondContact CA-O 3.35Å; F481-V593 HydrophobicContact CD1-CB 4.4Å; F481-V593 HydrophobicContact CD1-CG1 4.03Å; F481-V593 HydrophobicContact CD1-CG2 3.72Å; F481-V593 HydrophobicContact CE1-CB 4.4Å; F481-V593 HydrophobicContact CE1-CG1 3.66Å; F481-V593 HydrophobicContact CE1-CG2 3.84Å; F481-V593 HydrophobicContact CZ-CG1 4.07Å
482K95.7Very high88.5Confident73 Ų7353.5 Ų53.532%0.31730%0.302SS..EExtended strand (participates in β ladder)trans-98124.7173.3171.7177.5153.1-139.30108.9F459 I591 E592F459-K482 WeakPolarHBondContact O-CA 3.09Å; K482-I591 WeakPolarHBondContact O-CA 3.42Å; K482-E592 HydrophobicContact CB-CB 4.26Å; K482-E592 WeakPolarHBondContact CD-OE2 3.14Å; K482-E592 PolarHBondContact N-O 2.9Å; K482-E592 IonicContact NZ-OE2 2.7Å; K482-E592 PolarHBondContact NZ-OE2 2.67Å; K482-E592 PolarHBondContact O-N 3.2Å
483I95Very high88.4Confident0 Ų055 Ų550%031%0.312CS..EExtended strand (participates in β ladder)trans-109.4131-172.5-51.7-59.5000109.1A458 F459 L461 F481 I496 L498 I510 A513 L589 S590 I591A458-I483 WeakPolarHBondContact CA-O 3.47Å; A458-I483 VanDerWaalsContact CB-O 3.29Å; A458-I483 WeakPolarHBondContact CB-O 3.42Å; F459-I483 HydrophobicContact CD1-CB 3.95Å; F459-I483 HydrophobicContact CD1-CG2 4.34Å; F459-I483 HydrophobicContact CE1-CB 3.48Å; F459-I483 VanDerWaalsContact CE1-CB 3.48Å; F459-I483 HydrophobicContact CE1-CG1 4.15Å; F459-I483 HydrophobicContact CE1-CG2 3.5Å; F459-I483 VanDerWaalsContact CE1-CG2 3.5Å; F459-I483 HydrophobicContact CE2-CB 4.31Å; F459-I483 HydrophobicContact CE2-CG1 4.11Å; F459-I483 HydrophobicContact CZ-CB 3.7Å; F459-I483 HydrophobicContact CZ-CG1 3.83Å; F459-I483 HydrophobicContact CZ-CG2 3.79Å; F459-I483 PolarHBondContact N-O 3.48Å; F459-I483 VanDerWaalsContact N-O 3.13Å; F459-I483 PolarHBondContact O-N 2.81Å; L461-I483 HydrophobicContact CD1-CD1 4.41Å; L461-I483 HydrophobicContact CD1-CG1 3.94Å; L461-I483 HydrophobicContact CG-CG1 4.45Å; F481-I483 HydrophobicContact CB-CD1 4.39Å; I483-I496 HydrophobicContact CG2-CG2 4.42Å; I483-L498 HydrophobicContact CD1-CD2 4.3Å; I483-L498 HydrophobicContact CG1-CD2 4.3Å; I483-L498 HydrophobicContact CG2-CD2 4.19Å; I483-I510 HydrophobicContact CD1-CD1 4.35Å; I483-A513 HydrophobicContact CD1-CB 4.35Å; I483-A513 HydrophobicContact CG2-CB 3.72Å; I483-L589 HydrophobicContact CG2-CB 4.32Å; I483-L589 HydrophobicContact CG2-CD1 4.07Å; I483-S590 WeakPolarHBondContact CA-O 3.39Å; I483-I591 HydrophobicContact CD1-CB 4.42Å; I483-I591 HydrophobicContact CD1-CG1 4.04Å; I483-I591 HydrophobicContact CD1-CG2 4Å
484G91.7Very high88.5Confident6 Ų658.8 Ų58.86%0.06233%0.326CS..SBendtrans78.8178.1-177.100000113.9S590G484-S590 WeakPolarHBondContact CA-OG 3.34Å; G484-S590 PolarHBondContact N-O 2.91Å; G484-S590 PolarHBondContact O-OG 3.37Å
485D87.3Confident88.5Confident76 Ų7658.4 Ų58.441%0.40632%0.323SS..  trans-100.6142.6173.7179.917.2000110.2A458 S487 Q488A458-D485 VanDerWaalsContact CB-C 3.48Å; A458-D485 VanDerWaalsContact CB-O 3.29Å; A458-D485 WeakPolarHBondContact CB-O 3.49Å; D485-S487 VanDerWaalsContact CG-OG 3.26Å; D485-S487 PolarHBondContact O-N 2.83Å; D485-S487 VanDerWaalsContact O-N 3.08Å; D485-S487 PolarHBondContact OD1-N 2.77Å; D485-S487 WeakPolarHBondContact OD2-CB 3.44Å; D485-S487 PolarHBondContact OD2-OG 2.85Å; D485-Q488 HydrophobicContact CB-CG 4.25Å; D485-Q488 VanDerWaalsContact O-CB 3.31Å; D485-Q488 WeakPolarHBondContact O-CB 3.43Å; D485-Q488 PolarHBondContact O-N 3.49Å
486A80.7Confident88.5Confident71 Ų7155.9 Ų55.959%0.58731%0.309SS*.THydrogen-bonded Turntrans-61.3-16.8177.900000113.4Q488A486-Q488 VanDerWaalsContact C-N 3.3Å
487S80.8Confident88.4Confident90 Ų9056.8 Ų56.863%0.62931%0.312SS*.THydrogen-bonded Turntrans-72.2-19.317072.70000114D485 I489D485-S487 VanDerWaalsContact CG-OG 3.26Å; D485-S487 PolarHBondContact O-N 2.83Å; D485-S487 VanDerWaalsContact O-N 3.08Å; D485-S487 PolarHBondContact OD1-N 2.77Å; D485-S487 WeakPolarHBondContact OD2-CB 3.44Å; D485-S487 PolarHBondContact OD2-OG 2.85Å; S487-I489 PolarHBondContact O-N 3.11Å
488Q77.7Confident88.3Confident71 Ų7154.4 Ų54.433%0.33230%0.297SS..  trans-86.7100.8-177.3-63.3175.1-25.100110.1G457 A458 D485 A486 F490G457-Q488 WeakPolarHBondContact CA-O 3.47Å; A458-Q488 PolarHBondContact N-O 2.83Å; D485-Q488 HydrophobicContact CB-CG 4.25Å; D485-Q488 VanDerWaalsContact O-CB 3.31Å; D485-Q488 WeakPolarHBondContact O-CB 3.43Å; D485-Q488 PolarHBondContact O-N 3.49Å; A486-Q488 VanDerWaalsContact C-N 3.3Å; Q488-F490 HydrophobicContact CB-CZ 4.42Å
489I80.2Confident88.2Confident143 Ų14357.4 Ų57.473%0.73331%0.31SS*.EExtended strand (participates in β ladder)trans-119.9124.9173.5-57.2174.5000108.5S487S487-I489 PolarHBondContact O-N 3.11Å
490F82.3Confident88.2Confident39 Ų3957.3 Ų57.317%0.17131%0.309CS..EExtended strand (participates in β ladder)trans-100.8133.7178.4-47.8-56.6000110.1H456 Q488 E492 R494 L515H456-F490 PolarHBondContact ND1-O 3.44Å; H456-F490 PolarHBondContact O-N 2.89Å; Q488-F490 HydrophobicContact CB-CZ 4.42Å; F490-E492 VanDerWaalsContact CB-O 3.26Å; F490-E492 WeakPolarHBondContact CB-O 3.34Å; F490-E492 PolarHBondContact O-N 2.98Å; F490-R494 HydrophobicContact CB-CG 3.92Å; F490-R494 HydrophobicContact CD1-CG 4.15Å; F490-R494 HydrophobicContact CD2-CB 4.01Å; F490-R494 HydrophobicContact CD2-CG 3.87Å; F490-R494 HydrophobicContact CE2-CB 4.33Å; F490-R494 HydrophobicContact CE2-CG 4.46Å; F490-R494 HydrophobicContact CG-CB 4.37Å; F490-R494 HydrophobicContact CG-CG 3.71Å; F490-L515 HydrophobicContact CE1-CD2 4.22Å; F490-L515 HydrophobicContact CE2-CD1 4.29Å; F490-L515 HydrophobicContact CZ-CD1 4.07Å; F490-L515 HydrophobicContact CZ-CD2 4.14Å
491S81Confident88.1Confident112 Ų11260.9 Ų60.978%0.78332%0.317SS*.EExtended strand (participates in β ladder)trans-63.6-27177.857.10000113.6
492E82.6Confident88.1Confident132 Ų13261.3 Ų61.362%0.61732%0.319SS*.EExtended strand (participates in β ladder)trans-131.8148.3177.4-67.4-179174.300108F490 R494F490-E492 VanDerWaalsContact CB-O 3.26Å; F490-E492 WeakPolarHBondContact CB-O 3.34Å; F490-E492 PolarHBondContact O-N 2.98Å; E492-R494 PolarHBondContact O-N 3.03Å
493P84.3Confident88.1Confident53 Ų5359.3 Ų59.334%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-66.2129.6-176.228.4-33.2000110L454 Q455 H456L454-P493 HydrophobicContact CB-CB 4.2Å; L454-P493 HydrophobicContact CD2-CB 4.45Å; Q455-P493 CarbonylContact O-C 3.43Å; Q455-P493 WeakPolarHBondContact O-CA 3.46Å; H456-P493 WeakPolarHBondContact NE2-CD 3.47Å
494R86.3Confident88Confident87 Ų8762.5 Ų62.533%0.32833%0.332SS..EExtended strand (participates in β ladder)trans-103.8149-177.5-65.1-66.4180120.3-5111.3L454 Q455 F490 E492 I496 L515 E517L454-R494 WeakPolarHBondContact CA-O 3Å; Q455-R494 PolarHBondContact N-O 3.25Å; Q455-R494 VanDerWaalsContact N-O 3.11Å; Q455-R494 PolarHBondContact O-N 3.49Å; F490-R494 HydrophobicContact CB-CG 3.92Å; F490-R494 HydrophobicContact CD1-CG 4.15Å; F490-R494 HydrophobicContact CD2-CB 4.01Å; F490-R494 HydrophobicContact CD2-CG 3.87Å; F490-R494 HydrophobicContact CE2-CB 4.33Å; F490-R494 HydrophobicContact CE2-CG 4.46Å; F490-R494 HydrophobicContact CG-CB 4.37Å; F490-R494 HydrophobicContact CG-CG 3.71Å; E492-R494 PolarHBondContact O-N 3.03Å; R494-I496 PolarHBondContact O-N 3.4Å; R494-L515 HydrophobicContact CB-CD1 3.46Å; R494-L515 VanDerWaalsContact CB-CD1 3.46Å; R494-L515 HydrophobicContact CG-CD1 4.09Å; R494-E517 IonicContact NH1-OE1 2.71Å; R494-E517 PolarHBondContact NH1-OE1 3.44Å
495K89.1Confident88.3Confident68 Ų6863.6 Ų63.630%0.29634%0.335SS..EExtended strand (participates in β ladder)trans-70.9119.9175.6-70.8-179.6-175.4178.60109.5V452 L453 L454 V516 E518V452-K495 HydrophobicContact CG1-CB 4.08Å; V452-K495 HydrophobicContact CG1-CG 4.32Å; L453-K495 CarbonylContact O-C 3.59Å; L453-K495 WeakPolarHBondContact O-CA 3.4Å; L454-K495 HydrophobicContact CD2-CB 4.49Å; L454-K495 HydrophobicContact CD2-CG 3.81Å; K495-V516 HydrophobicContact CB-CB 3.94Å; K495-V516 HydrophobicContact CB-CG2 4.44Å; K495-V516 WeakPolarHBondContact O-CB 3.22Å; K495-V516 PolarHBondContact O-N 2.96Å; K495-E518 IonicContact NZ-OE1 2.79Å; K495-E518 PolarHBondContact NZ-OE1 2.89Å
496I90.1Very high88.7Confident1 Ų160.5 Ų60.51%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-116.2117.8173.9-61.3179.1000108.4V452 L453 Q455 F459 I483 R494 L498 Q514 L515 L589V452-I496 WeakPolarHBondContact CA-O 3.42Å; L453-I496 PolarHBondContact N-O 3.41Å; L453-I496 PolarHBondContact O-N 2.92Å; Q455-I496 HydrophobicContact CB-CD1 3.96Å; Q455-I496 HydrophobicContact CG-CD1 4.41Å; F459-I496 HydrophobicContact CD1-CD1 4.24Å; F459-I496 HydrophobicContact CE1-CB 4.48Å; F459-I496 HydrophobicContact CE1-CD1 3.58Å; F459-I496 HydrophobicContact CE1-CG2 4.12Å; F459-I496 HydrophobicContact CZ-CD1 4.45Å; F459-I496 HydrophobicContact CZ-CG2 4.13Å; I483-I496 HydrophobicContact CG2-CG2 4.42Å; R494-I496 PolarHBondContact O-N 3.4Å; I496-L498 HydrophobicContact CG2-CD2 4.01Å; I496-L498 HydrophobicContact CG2-CG 4.42Å; I496-Q514 CarbonylContact C-O 3.59Å; I496-Q514 WeakPolarHBondContact CA-O 3.28Å; I496-L515 HydrophobicContact CG1-CD1 4.31Å; I496-L589 HydrophobicContact CD1-CD1 3.83Å; I496-L589 HydrophobicContact CG1-CD1 4.1Å; I496-L589 HydrophobicContact CG2-CD1 3.76Å
497K91.6Very high89.4Confident58 Ų5857.2 Ų57.225%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-93.2124.5179-177.8171.4-178.8172.10109.8I451 V452 A513 Q514 V516 Y586I451-K497 WeakPolarHBondContact O-CA 3.5Å; V452-K497 HydrophobicContact CG2-CB 4.31Å; V452-K497 HydrophobicContact CG2-CG 4.26Å; K497-A513 CarbonylContact O-C 3.54Å; K497-A513 WeakPolarHBondContact O-CA 3.42Å; K497-Q514 PolarHBondContact N-O 3.47Å; K497-Q514 PolarHBondContact O-N 3.22Å; K497-V516 HydrophobicContact CB-CG2 3.77Å; K497-Y586 HydrophobicContact CD-CE1 4.29Å
498L93Very high90.2Very high0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-115.4131.9-179.2-57.7172.2000109.8Q450 I451 L453 F459 L461 I483 I496 I510 A513Q450-L498 VanDerWaalsContact CA-O 3.29Å; Q450-L498 WeakPolarHBondContact CA-O 3.46Å; I451-L498 HydrophobicContact CD1-CD1 3.95Å; I451-L498 HydrophobicContact CG1-CB 3.84Å; I451-L498 HydrophobicContact CG1-CD1 4.02Å; I451-L498 HydrophobicContact CG1-CG 4.39Å; I451-L498 PolarHBondContact N-O 2.94Å; I451-L498 PolarHBondContact O-N 2.98Å; L453-L498 HydrophobicContact CD1-CD1 3.73Å; L453-L498 HydrophobicContact CG-CD1 4.38Å; F459-L498 HydrophobicContact CE2-CD1 4.31Å; F459-L498 HydrophobicContact CZ-CD1 4.18Å; F459-L498 HydrophobicContact CZ-CD2 4.39Å; L461-L498 HydrophobicContact CD1-CD1 3.52Å; I483-L498 HydrophobicContact CD1-CD2 4.3Å; I483-L498 HydrophobicContact CG1-CD2 4.3Å; I483-L498 HydrophobicContact CG2-CD2 4.19Å; I496-L498 HydrophobicContact CG2-CD2 4.01Å; I496-L498 HydrophobicContact CG2-CG 4.42Å; L498-I510 HydrophobicContact CD2-CG2 4.44Å; L498-A513 HydrophobicContact CD2-CB 3.51Å
499K94.3Very high91.1Very high74 Ų7451.7 Ų51.732%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-111.1104.5176.3-172.2-178.9-178.1174.40110.2Q450 S511 Q512Q450-K499 HydrophobicContact CG-CB 4.31Å; Q450-K499 HydrophobicContact CG-CG 4.11Å; K499-S511 PolarHBondContact O-N 3.49Å; K499-S511 PolarHBondContact O-OG 2.98Å; K499-Q512 HydrophobicContact CB-CB 4.07Å; K499-Q512 PolarHBondContact N-O 3.41Å
500M94.3Very high91.9Very high1 Ų145.3 Ų45.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-91.7147179-61.8165.4-6700110I406 I423 V438 F439 S448 R449 I451 F508 I510I406-M500 HydrophobicContact CD1-SD 3.89Å; I406-M500 HydrophobicContact CG1-SD 3.56Å; I406-M500 VanDerWaalsContact CG1-SD 3.56Å; I423-M500 HydrophobicContact CD1-CE 4.13Å; V438-M500 HydrophobicContact CB-CE 4.02Å; V438-M500 HydrophobicContact CB-SD 4.22Å; V438-M500 HydrophobicContact CG1-CE 3.52Å; V438-M500 HydrophobicContact CG1-SD 3.81Å; V438-M500 HydrophobicContact CG2-SD 4.22Å; F439-M500 HydrophobicContact CE2-CB 4.29Å; S448-M500 CarbonylContact C-O 3.51Å; S448-M500 WeakPolarHBondContact CA-O 3.38Å; R449-M500 PolarHBondContact N-O 2.95Å; R449-M500 PolarHBondContact O-N 3.05Å; I451-M500 HydrophobicContact CB-CE 4.22Å; I451-M500 HydrophobicContact CD1-CE 3.96Å; I451-M500 HydrophobicContact CD1-SD 4.17Å; I451-M500 HydrophobicContact CG1-CE 3.78Å; I451-M500 HydrophobicContact CG1-SD 4.47Å; I451-M500 HydrophobicContact CG2-CE 3.65Å; M500-F508 HydrophobicContact CB-CE2 3.89Å; M500-F508 HydrophobicContact CB-CZ 4.09Å; M500-F508 HydrophobicContact CG-CE2 4.22Å; M500-F508 HydrophobicContact CG-CZ 3.97Å; M500-F508 HydrophobicContact SD-CE2 4.48Å; M500-F508 HydrophobicContact SD-CZ 4.31Å; M500-I510 HydrophobicContact CG-CG1 4.27Å
501R95.9Very high92.4Very high122 Ų12246.4 Ų46.446%0.4624%0.239SC..EExtended strand (participates in β ladder)trans-144.3130.2-176.4-175.1171.4-172.5176.23.6112.1S447 S448 F508 N509S447-R501 WeakPolarHBondContact O-CA 3.43Å; S448-R501 WeakPolarHBondContact OG-CG 3.44Å; R501-F508 WeakPolarHBondContact O-CA 3.47Å; R501-N509 PolarHBondContact N-O 3.49Å; R501-N509 PolarHBondContact O-N 2.89Å
502M96.1Very high93.1Very high10 Ų1044.4 Ų44.45%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-87.6119.5155.4-71.4-62-76.500108.2I404 F439 I445 P446 S447 G506 F508I404-M502 HydrophobicContact CD1-CE 4.11Å; I404-M502 HydrophobicContact CD1-SD 3.46Å; I404-M502 WeakPolarHBondContact CD1-SD 3.47Å; F439-M502 HydrophobicContact CD1-CG 3.95Å; F439-M502 HydrophobicContact CD2-CG 3.65Å; F439-M502 HydrophobicContact CD2-SD 4.43Å; F439-M502 HydrophobicContact CE1-CB 4.4Å; F439-M502 HydrophobicContact CE1-CG 4.02Å; F439-M502 HydrophobicContact CE2-CG 3.73Å; F439-M502 HydrophobicContact CG-CG 3.77Å; F439-M502 HydrophobicContact CZ-CB 4.37Å; F439-M502 HydrophobicContact CZ-CG 3.92Å; I445-M502 HydrophobicContact CB-CB 4.21Å; I445-M502 HydrophobicContact CD1-CE 4.5Å; I445-M502 HydrophobicContact CG2-CB 3.58Å; I445-M502 HydrophobicContact CG2-CG 3.98Å; P446-M502 VanDerWaalsContact CA-O 3.31Å; P446-M502 WeakPolarHBondContact CA-O 3.47Å; P446-M502 WeakPolarHBondContact CB-O 3.32Å; S447-M502 PolarHBondContact N-O 2.85Å; S447-M502 PolarHBondContact O-N 3.05Å; M502-G506 WeakPolarHBondContact CE-O 3.41Å; M502-F508 HydrophobicContact SD-CB 3.72Å; M502-F508 HydrophobicContact SD-CD2 4.3Å
503N95.5Very high93.7Very high32 Ų3238.1 Ų38.117%0.17119%0.188CC..  trans-88-179.1-178.674.313.1000112.6H505 G506 I507N503-H505 PolarHBondContact O-N 2.93Å; N503-H505 WeakPolarHBondContact OD1-CA 3.46Å; N503-H505 WeakPolarHBondContact OD1-CB 3.41Å; N503-H505 PolarHBondContact OD1-N 3.28Å; N503-G506 PolarHBondContact O-N 3.28Å; N503-G506 VanDerWaalsContact O-N 3.08Å; N503-G506 PolarHBondContact OD1-N 3.08Å; N503-I507 PolarHBondContact N-O 3.4Å; N503-I507 PolarHBondContact OD1-N 3.2Å; N503-I507 PolarHBondContact OD1-O 3.38Å
504T94.3Very high94.2Very high67 Ų6737 Ų3741%0.41118%0.178SC..THydrogen-bonded Turntrans-65.3-13.3-179.740.50000114.9K171 P446K171-T504 WeakPolarHBondContact CE-O 3.45Å; P446-T504 HydrophobicContact CB-CG2 4.3Å; P446-T504 HydrophobicContact CG-CG2 3.97Å
505H96.7Very high94.5Very high29 Ų2933.7 Ų33.713%0.13417%0.167CC..THydrogen-bonded Turntrans-93.4-4.4175-49.7-90.3000112.4R155 C169 V170 L172 N503 I507R155-H505 WeakPolarHBondContact CD-O 3.43Å; R155-H505 PolarHBondContact NH1-O 3.02Å; C169-H505 PolarHBondContact O-CE1 2.74Å; V170-H505 PolarHBondContact O-CE1 3.05Å; L172-H505 HydrophobicContact CB-CB 4.07Å; L172-H505 HydrophobicContact CD1-CB 4.3Å; L172-H505 HydrophobicContact CG-CB 4.25Å; L172-H505 PolarHBondContact N-ND1 2.88Å; N503-H505 PolarHBondContact O-N 2.93Å; N503-H505 WeakPolarHBondContact OD1-CA 3.46Å; N503-H505 WeakPolarHBondContact OD1-CB 3.41Å; N503-H505 PolarHBondContact OD1-N 3.28Å; H505-I507 HydrophobicContact CB-CD1 4.08Å; H505-I507 HydrophobicContact CB-CG1 4.26Å
506G95.8Very high94.6Very high10 Ų1031.3 Ų31.310%0.10316%0.158CC..SBendtrans77.226.2-171.400000113.8M502 N503M502-G506 WeakPolarHBondContact CE-O 3.41Å; N503-G506 PolarHBondContact O-N 3.28Å; N503-G506 VanDerWaalsContact O-N 3.08Å; N503-G506 PolarHBondContact OD1-N 3.08Å
507I96.8Very high94.5Very high3 Ų334.3 Ų34.32%0.01517%0.172CC..  trans-104.5136.9-179.8-68.5171.6000110.2D152 R155 R156 L159 N503 H505D152-I507 VanDerWaalsContact OD2-CA 3.23Å; D152-I507 WeakPolarHBondContact OD2-CA 3.34Å; D152-I507 VanDerWaalsContact OD2-CG2 3.26Å; D152-I507 WeakPolarHBondContact OD2-CG2 3.32Å; R155-I507 HydrophobicContact CB-CD1 3.89Å; R155-I507 HydrophobicContact CB-CG1 3.75Å; R156-I507 HydrophobicContact CG-CD1 3.94Å; R156-I507 HydrophobicContact CG-CG2 4.43Å; R156-I507 VanDerWaalsContact NH2-CG2 3.29Å; L159-I507 HydrophobicContact CD1-CD1 3.44Å; L159-I507 VanDerWaalsContact CD1-CD1 3.44Å; L159-I507 HydrophobicContact CG-CD1 4.34Å; N503-I507 PolarHBondContact N-O 3.4Å; N503-I507 PolarHBondContact OD1-N 3.2Å; N503-I507 PolarHBondContact OD1-O 3.38Å; H505-I507 HydrophobicContact CB-CD1 4.08Å; H505-I507 HydrophobicContact CB-CG1 4.26Å
508F97.5Very high94.1Very high0 Ų036 Ų360%018%0.181CC..EExtended strand (participates in β ladder)trans-86134.8176.7175.8-88.1000111.6D152 R156 I404 I406 V438 F439 A463 I478 F481 M500 R501 M502 I510D152-F508 PolarHBondContact OD2-N 3.05Å; R156-F508 PolarHBondContact NH2-O 3.24Å; I404-F508 HydrophobicContact CD1-CB 3.88Å; I404-F508 HydrophobicContact CD1-CD2 3.95Å; I404-F508 HydrophobicContact CD1-CG 4.2Å; I404-F508 HydrophobicContact CG2-CD2 4.01Å; I404-F508 HydrophobicContact CG2-CE2 4.17Å; I406-F508 HydrophobicContact CD1-CE1 4.27Å; I406-F508 HydrophobicContact CD1-CE2 4.07Å; I406-F508 HydrophobicContact CD1-CZ 3.53Å; V438-F508 HydrophobicContact CG2-CE2 4.34Å; F439-F508 HydrophobicContact CD2-CD2 4.06Å; F439-F508 HydrophobicContact CD2-CE2 4.22Å; F439-F508 AromaticContact CE2-CD2 3.86Å; F439-F508 HydrophobicContact CE2-CD2 3.86Å; F439-F508 AromaticContact CE2-CE2 3.86Å; F439-F508 HydrophobicContact CE2-CE2 3.86Å; A463-F508 HydrophobicContact CB-CD1 3.76Å; A463-F508 HydrophobicContact CB-CE1 3.49Å; A463-F508 VanDerWaalsContact CB-CE1 3.49Å; A463-F508 HydrophobicContact CB-CZ 4.12Å; I478-F508 HydrophobicContact CG2-CB 4.3Å; I478-F508 HydrophobicContact CG2-CD1 4.43Å; F481-F508 HydrophobicContact CE1-CE1 4.49Å; F481-F508 HydrophobicContact CE2-CD1 4.18Å; F481-F508 AromaticContact CE2-CE1 3.79Å; F481-F508 HydrophobicContact CE2-CE1 3.79Å; F481-F508 AromaticContact CZ-CD1 3.89Å; F481-F508 HydrophobicContact CZ-CD1 3.89Å; F481-F508 AromaticContact CZ-CE1 3.72Å; F481-F508 HydrophobicContact CZ-CE1 3.72Å; M500-F508 HydrophobicContact CB-CE2 3.89Å; M500-F508 HydrophobicContact CB-CZ 4.09Å; M500-F508 HydrophobicContact CG-CE2 4.22Å; M500-F508 HydrophobicContact CG-CZ 3.97Å; M500-F508 HydrophobicContact SD-CE2 4.48Å; M500-F508 HydrophobicContact SD-CZ 4.31Å; R501-F508 WeakPolarHBondContact O-CA 3.47Å; M502-F508 HydrophobicContact SD-CB 3.72Å; M502-F508 HydrophobicContact SD-CD2 4.3Å; F508-I510 HydrophobicContact CE1-CG1 4.07Å; F508-I510 HydrophobicContact CZ-CG1 4.13Å
509N96.2Very high93.7Very high44 Ų4441.4 Ų41.424%0.23520%0.202CC..EExtended strand (participates in β ladder)trans-144.7152.8164.2-60.5-76000111.4R156 R501 S511R156-N509 PolarHBondContact NH1-OD1 3.26Å; R156-N509 PolarHBondContact NH2-OD1 3.02Å; R501-N509 PolarHBondContact N-O 3.49Å; R501-N509 PolarHBondContact O-N 2.89Å; N509-S511 PolarHBondContact O-N 3.38Å
510I95.8Very high93.1Very high10 Ų1043 Ų435%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-81.4108.8158.3-51.2-173000106.8L461 F481 I483 L498 M500 F508 I591L461-I510 HydrophobicContact CD1-CD1 3.56Å; F481-I510 HydrophobicContact CB-CD1 3.71Å; F481-I510 HydrophobicContact CB-CG1 4.49Å; F481-I510 HydrophobicContact CD1-CB 4Å; F481-I510 HydrophobicContact CD1-CD1 3.88Å; F481-I510 HydrophobicContact CD1-CG1 3.7Å; F481-I510 HydrophobicContact CD2-CD1 4.16Å; F481-I510 HydrophobicContact CD2-CG1 4.4Å; F481-I510 HydrophobicContact CE1-CB 4.29Å; F481-I510 HydrophobicContact CE1-CG1 4Å; F481-I510 HydrophobicContact CG-CD1 3.65Å; F481-I510 HydrophobicContact CG-CG1 3.95Å; F481-I510 HydrophobicContact CZ-CG1 4.48Å; I483-I510 HydrophobicContact CD1-CD1 4.35Å; L498-I510 HydrophobicContact CD2-CG2 4.44Å; M500-I510 HydrophobicContact CG-CG1 4.27Å; F508-I510 HydrophobicContact CE1-CG1 4.07Å; F508-I510 HydrophobicContact CZ-CG1 4.13Å; I510-I591 HydrophobicContact CB-CD1 4.39Å; I510-I591 HydrophobicContact CG2-CD1 3.94Å
511S93.7Very high92.3Very high62 Ų6249.1 Ų49.143%0.43424%0.237SC..EExtended strand (participates in β ladder)trans-86.4-20.7-171.762.60000114.3K499 N509K499-S511 PolarHBondContact O-N 3.49Å; K499-S511 PolarHBondContact O-OG 2.98Å; N509-S511 PolarHBondContact O-N 3.38Å
512Q95.5Very high91.3Very high69 Ų6947.8 Ų47.832%0.32224%0.236SC..EExtended strand (participates in β ladder)trans-160.2142.8179.9178.2169.646.700109.6K499 Q514 D588K499-Q512 HydrophobicContact CB-CB 4.07Å; K499-Q512 PolarHBondContact N-O 3.41Å; Q512-Q514 HydrophobicContact CG-CG 3.86Å; Q512-D588 PolarHBondContact NE2-OD1 3.08Å; Q512-D588 VanDerWaalsContact NE2-OD1 3.13Å
513A95.5Very high90.2Very high1 Ų149.7 Ų49.71%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-133129171.800000107.8I483 K497 L498 D588 L589 I591I483-A513 HydrophobicContact CD1-CB 4.35Å; I483-A513 HydrophobicContact CG2-CB 3.72Å; K497-A513 CarbonylContact O-C 3.54Å; K497-A513 WeakPolarHBondContact O-CA 3.42Å; L498-A513 HydrophobicContact CD2-CB 3.51Å; A513-D588 WeakPolarHBondContact O-CA 3.33Å; A513-L589 HydrophobicContact CB-CB 4.13Å; A513-L589 PolarHBondContact O-N 3.23Å; A513-I591 HydrophobicContact CB-CD1 3.92Å; A513-I591 HydrophobicContact CB-CG1 3.89Å
514Q95Very high88.9Confident29 Ų2954.3 Ų54.314%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-137125.6-173.5-78.5-176.7-32.800112.1I496 K497 Q512 Y586 H587 D588I496-Q514 CarbonylContact C-O 3.59Å; I496-Q514 WeakPolarHBondContact CA-O 3.28Å; K497-Q514 PolarHBondContact N-O 3.47Å; K497-Q514 PolarHBondContact O-N 3.22Å; Q512-Q514 HydrophobicContact CG-CG 3.86Å; Q514-Y586 HydrophobicContact CB-CD1 4.27Å; Q514-H587 CarbonylContact C-O 3.54Å; Q514-H587 VanDerWaalsContact CA-O 3.28Å; Q514-H587 WeakPolarHBondContact CA-O 3.44Å; Q514-D588 WeakPolarHBondContact CG-OD1 3.45Å; Q514-D588 PolarHBondContact NE2-OD1 3.34Å
515L92.1Very high87.4Confident17 Ų1754 Ų549%0.08927%0.267CS..EExtended strand (participates in β ladder)trans-68.8128.9164.5179.166.7000109.2F490 R494 I496 E517 Y586 H587 L589F490-L515 HydrophobicContact CE1-CD2 4.22Å; F490-L515 HydrophobicContact CE2-CD1 4.29Å; F490-L515 HydrophobicContact CZ-CD1 4.07Å; F490-L515 HydrophobicContact CZ-CD2 4.14Å; R494-L515 HydrophobicContact CB-CD1 3.46Å; R494-L515 VanDerWaalsContact CB-CD1 3.46Å; R494-L515 HydrophobicContact CG-CD1 4.09Å; I496-L515 HydrophobicContact CG1-CD1 4.31Å; L515-E517 HydrophobicContact CG-CG 4.47Å; L515-Y586 WeakPolarHBondContact O-CA 3.32Å; L515-H587 HydrophobicContact CB-CB 4.37Å; L515-H587 PolarHBondContact N-O 3.3Å; L515-H587 PolarHBondContact O-N 2.91Å; L515-L589 HydrophobicContact CB-CD1 4.38Å; L515-L589 HydrophobicContact CB-CD2 4.22Å; L515-L589 HydrophobicContact CB-CG 4.35Å
516V90.8Very high85.4Confident19 Ų1956.2 Ų56.212%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-106.8112.7-177.6-172.20000109.4K495 K497 T584 Y586K495-V516 HydrophobicContact CB-CB 3.94Å; K495-V516 HydrophobicContact CB-CG2 4.44Å; K495-V516 WeakPolarHBondContact O-CB 3.22Å; K495-V516 PolarHBondContact O-N 2.96Å; K497-V516 HydrophobicContact CB-CG2 3.77Å; V516-T584 HydrophobicContact CG1-CG2 3.37Å; V516-Y586 HydrophobicContact CG1-CE1 4.07Å; V516-Y586 HydrophobicContact CG2-CD1 3.99Å; V516-Y586 HydrophobicContact CG2-CE1 3.89Å
517E87.4Confident83.4Confident64 Ų6458.7 Ų58.730%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-107.4115.4174.7-66.5-164.813100110.8R494 L515 T584 K585 H587R494-E517 IonicContact NH1-OE1 2.71Å; R494-E517 PolarHBondContact NH1-OE1 3.44Å; L515-E517 HydrophobicContact CG-CG 4.47Å; E517-T584 CarbonylContact O-C 3.54Å; E517-T584 WeakPolarHBondContact O-CA 3.44Å; E517-K585 HydrophobicContact CB-CB 4.46Å; E517-K585 PolarHBondContact N-O 3.32Å; E517-K585 PolarHBondContact O-N 3.24Å; E517-H587 IonicContact OE2-CD2 3.26Å; E517-H587 IonicContact OE2-CE1 2.73Å; E517-H587 IonicContact OE2-NE2 2.67Å; E517-H587 PolarHBondContact OE2-NE2 3.03Å
518E84.9Confident80.9Confident92 Ų9263.6 Ų63.643%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-86.5128168.4-71.1175.5-137.100109.6K495 K582 F583K495-E518 IonicContact NZ-OE1 2.79Å; K495-E518 PolarHBondContact NZ-OE1 2.89Å; E518-K582 IonicContact OE2-NZ 3.6Å; E518-F583 WeakPolarHBondContact CA-O 3.48Å
519Y83.5Confident78.1Confident114 Ų11470.9 Ų70.945%0.44737%0.367SS..EExtended strand (participates in β ladder)trans-135145.8173.568.2-79.9000110.6K521 F583 K585Y519-K521 HydrophobicContact CE2-CB 4.41Å; Y519-F583 HydrophobicContact CD1-CB 4.08Å; Y519-F583 WeakPolarHBondContact CD1-O 3.44Å; Y519-F583 HydrophobicContact CD2-CB 4.27Å; Y519-F583 HydrophobicContact CE1-CB 3.55Å; Y519-F583 HydrophobicContact CE2-CB 3.8Å; Y519-F583 HydrophobicContact CE2-CD2 4.49Å; Y519-F583 HydrophobicContact CE2-CG 4.31Å; Y519-F583 HydrophobicContact CG-CB 4.41Å; Y519-F583 VanDerWaalsContact CZ-CB 3.41Å; Y519-F583 PolarHBondContact N-O 3.45Å; Y519-F583 PolarHBondContact O-N 3.1Å; Y519-K585 HydrophobicContact CD1-CB 4.45Å; Y519-K585 HydrophobicContact CE1-CB 4.04Å
520E81.8Confident75.5Confident109 Ų10976.5 Ų76.551%0.50940%0.397SS..EExtended strand (participates in β ladder)trans-95.4128.6175.8-71.6-177.2179.100110K580 K582E520-K580 WeakPolarHBondContact OE2-CD 3.28Å; E520-K582 HydrophobicContact CG-CG 3.85Å; E520-K582 WeakPolarHBondContact OE1-CE 3.5Å
521K78.4Confident72.8Confident128 Ų12883 Ų8356%0.55743%0.432SS*.EExtended strand (participates in β ladder)trans-120134.8169.3-171.5177.8179.1-179.50108.4Y519 V523 K581 F583Y519-K521 HydrophobicContact CE2-CB 4.41Å; K521-V523 PolarHBondContact O-N 3.43Å; K521-K581 PolarHBondContact N-O 2.96Å; K521-K581 VanDerWaalsContact N-O 3.08Å; K521-K581 PolarHBondContact O-N 3.33Å; K521-F583 HydrophobicContact CB-CD2 3.79Å; K521-F583 HydrophobicContact CB-CE2 3.78Å
522E73.6Confident70Confident95 Ų9584.5 Ų84.544%0.44444%0.442SS..EExtended strand (participates in β ladder)trans-71.2124.9170.1-72.7179.2-178.100108.7M578 K580E522-M578 HydrophobicContact CB-SD 4.18Å; E522-M578 WeakPolarHBondContact OE2-CE 3.33Å; E522-K580 HydrophobicContact CG-CG 3.73Å; E522-K580 WeakPolarHBondContact OE1-CE 3.41Å
523V74.3Confident67.1Low49 Ų4987.6 Ų87.630%0.29747%0.466SS..EExtended strand (participates in β ladder)trans-123.9131.6177.8-1720000107K521 V525 K579 K581 F583K521-V523 PolarHBondContact O-N 3.43Å; V523-V525 PolarHBondContact O-N 3.4Å; V523-K579 PolarHBondContact N-O 2.8Å; V523-K579 PolarHBondContact O-N 2.56Å; V523-K579 VanDerWaalsContact O-N 3.11Å; V523-K581 HydrophobicContact CG2-CB 4.2Å; V523-F583 HydrophobicContact CG2-CE2 3.65Å; V523-F583 HydrophobicContact CG2-CZ 3.76Å
524E68.4Low64.3Low130 Ų13094.5 Ų94.561%0.60751%0.507SS*.EExtended strand (participates in β ladder)trans-66.4118.1169.9-68-163.5136.800109.2T576 M578E524-T576 HydrophobicContact CB-CG2 4.04Å; E524-T576 HydrophobicContact CG-CG2 4.46Å; E524-M578 HydrophobicContact CG-SD 4.47Å
525V62.9Low61.3Low60 Ų60100.8 Ų100.836%0.36454%0.542SS..EExtended strand (participates in β ladder)trans-109.8124.8170.8-177.40000107.4V523 V527 V577 K579V523-V525 PolarHBondContact O-N 3.4Å; V525-V527 PolarHBondContact O-N 2.96Å; V525-V577 PolarHBondContact N-O 3.13Å; V525-V577 PolarHBondContact O-N 3.45Å; V525-K579 HydrophobicContact CG2-CB 4.32Å
526S54.3Low58.5Low76 Ų76103 Ų10353%0.53157%0.57SS.*EExtended strand (participates in β ladder)trans-73.2120.6171.948.90000109
527V52.9Low55.9Low62 Ų62108.3 Ų108.338%0.37660%0.604SS.*  trans-88.1116176.2-176.20000108.1V525 V577V525-V527 PolarHBondContact O-N 2.96Å; V527-V577 HydrophobicContact CG2-CB 4.15Å; V527-V577 HydrophobicContact CG2-CG2 3.81Å
528S45.1Very low53.3Low106 Ų106114 Ų11474%0.74163%0.631SS**  trans-77.4116.7157.2470000108D530S528-D530 PolarHBondContact O-N 2.89Å
529E38.8Very low50.7Low153 Ų153116.6 Ų116.672%0.71565%0.648SS**  trans-71113.7166.7-70.9176.7171.100107.7
530D40.9Very low48.3Very low162 Ų162116.8 Ų116.887%0.86667%0.666SS**  trans-143.1145.6155.5-120.4-31.2000110.2S528S528-D530 PolarHBondContact O-N 2.89Å
531N38.7Very low45.8Very low145 Ų145121 Ų12178%0.77568%0.682SS**  trans-103.3139-150.9-98.6-39.1000114.7
532S34.8Very low43.7Very low94 Ų94122.8 Ų122.866%0.65769%0.693SS**  trans33.5124.6140.765.50000122
533V34.4Very low41.6Very low134 Ų134126.6 Ų126.681%0.81271%0.71SS**  trans70.4119.8136.61780000118.4
534V37.4Very low39.3Very low146 Ų146130.9 Ų130.989%0.88574%0.736SS**  -151.4142.6115.3175.80000109.2
535D33.2Very low37.5Very low161 Ų161130.7 Ų130.786%0.86174%0.744SS**  trans-78.1157.3178.5-131.3-35.5000113.4
536G31.5Very low35.9Very low65 Ų65134 Ų13467%0.6777%0.765SS**  trans-179.4111175.300000115.1
537P37.1Very low34.7Very low130 Ų130134.9 Ų134.984%0.84478%0.777SS**  trans-88.3159.9-174.334.3-35000115
538Q33.2Very low33.7Very low183 Ų183137.6 Ų137.686%0.85580%0.798SS**  trans-31140.7178.1-53.1172-41.900117.2
539N28.8Very low32.9Very low147 Ų147140 Ų14079%0.78680%0.803SS**  147.9120.391-1587.4000112.7
540S33.9Very low32.6Very low118 Ų118141.7 Ų141.783%0.82581%0.811SS**  trans-178.5154.1141.949.90000112.6
541K29.2Very low32Very low196 Ų196141 Ų14185%0.85281%0.807SS**  trans-90.6144.4177.3-56.9164.6177.2175.80109.8
542Q33.8Very low31.8Very low167 Ų167141.1 Ų141.178%0.7881%0.813SS**  trans-167.7114.8141.4-104.9180-37.900107
543E29.5Very low31.4Very low174 Ų174144.7 Ų144.781%0.81382%0.82SS**  92.7143.282.4-85.3-169.9135.600112.9
544V26.7Very low31.3Very low140 Ų140142.6 Ų142.685%0.84881%0.811SS**  trans-104.1130.8-164.31720000110.5
545T30.2Very low31Very low126 Ų126144 Ų14477%0.77381%0.807SS**  trans-176.2146.2160.2250000106.5
546T28.8Very low30.9Very low130 Ų130143.4 Ų143.480%0.79881%0.805SS**  cis-162.6169.4-15.950000107.6
547A29.5Very low31.7Very low94 Ų94145.9 Ų145.978%0.77781%0.809SS**  trans-32.2151.2169.500000116.2
548S31.3Very low31.7Very low118 Ų118145.9 Ų145.983%0.82581%0.809SS**  -169.2170.96650.70000114.7
549N29.5Very low31.7Very low156 Ų156143.3 Ų143.383%0.83481%0.805SS**  trans-73.2162.6176.1-54.4-30.2000112.6
550E32.1Very low31.9Very low190 Ų190143.1 Ų143.189%0.88880%0.804SS**  -165.5163.7115.5-111.1173-158.300113.2
551D27.7Very low31.9Very low146 Ų146143.3 Ų143.378%0.78180%0.801SS**  trans-73.9161.2-166-56.7-77.6000116.1
552T34.5Very low32.1Very low148 Ų148140 Ų14091%0.90879%0.793SS**  trans-152.4137.5132.9-31.70000112.4
553E28Very low32.2Very low170 Ų170139.7 Ų139.779%0.79479%0.791SS**  trans-83.4179177.1-55.6176.3110.600113.9
554S30.6Very low32.4Very low90 Ų90136.7 Ų136.763%0.62978%0.784SS**  trans81.6148151.7-64.50000118.5
555Q30.9Very low32.6Very low174 Ų174136.7 Ų136.781%0.81378%0.78SS**  cis-159.3-174.9-11.6-115.9172.850.100111
556N31.3Very low32.6Very low150 Ų150136.1 Ų136.180%0.80278%0.776SS**  trans-59.1161.8-170.8-68.9-41.9000118.3
557P49.9Very low32.8Very low116 Ų116137.6 Ų137.675%0.75377%0.774SS**  trans-95.2165.3174.939.2-36.1000114.3
558P37.1Very low32.8Very low130 Ų130140 Ų14084%0.84477%0.774SS**  trans-135.2179151.533.9-16.3000115.1
559V32.8Very low33.1Very low130 Ų130139.9 Ų139.979%0.78877%0.773SS**  trans-117.8149.4-159.4168.90000113.3
560D32Very low33.4Very low142 Ų142139.6 Ų139.676%0.75978%0.777SS**  trans24136.9161.8-64.8-37.7000122.9
561T35.4Very low33.7Very low123 Ų123135.8 Ų135.876%0.75577%0.771SS**  174.411896.6-65.60000114.7
562N32.8Very low34.1Very low127 Ų127134.4 Ų134.468%0.67977%0.77SS**  trans37.8133147.7-78.7-45.9000126.8
563Q36.2Very low34.1Very low160 Ų160137.3 Ų137.375%0.74877%0.771SS**  trans73.1144135.1-67.1171.540.400119.3
564T32.4Very low34.7Very low110 Ų110136.6 Ų136.668%0.67577%0.765SS**  cis-156.715211.9-100000111.9
565N30.8Very low35.3Very low141 Ų141139.4 Ų139.475%0.75477%0.766SS**  trans30.3145.5150.2-63.5-8000121.7
566T31.9Very low36Very low113 Ų113134.7 Ų134.769%0.69375%0.749SS**  cis-166.5143.347.4-31.70000113.9
567Q32.1Very low37.3Very low162 Ų162130.7 Ų130.776%0.75773%0.729SS**  trans68.2131.7145.6-89.8165.8-2900125.7
568D29.2Very low37.5Very low143 Ų143130.6 Ų130.677%0.76572%0.721SS**  trans66.693.2139.9-60.1-11.1000122.1
569S37.9Very low38.9Very low116 Ų116129.9 Ų129.981%0.81170%0.704SS**  -147.1138.6125.760.80000112.1
570T36.4Very low40.7Very low151 Ų151130.1 Ų130.193%0.92670%0.695SS**  trans-66.7128.1-177.545.60000112.8
571S37.7Very low42.8Very low109 Ų109129.4 Ų129.476%0.76269%0.685SS**  trans-128.7147.8167.153.60000110.8
572P37.2Very low44.8Very low117 Ų117129.6 Ų129.676%0.7668%0.675SS**  trans-75.6154.6-162.829.6-36.1000113.3K574P572-K574 PolarHBondContact O-N 3.36Å
573K34.5Very low47.2Very low210 Ų210126.8 Ų126.891%0.91366%0.657SS**  trans-59.693.1172.7-70.9-179.5176.3178.90110.9K575K573-K575 PolarHBondContact O-N 3.35Å
574K40Very low49.5Very low155 Ų155122.2 Ų122.267%0.67464%0.64SS**  trans-60.9127.3164-73.2-173.5176.4-177.80108.3P572 T576P572-K574 PolarHBondContact O-N 3.36Å; K574-T576 PolarHBondContact O-N 3.43Å; K574-T576 VanDerWaalsContact O-N 3.1Å
575K43.1Very low52.2Low149 Ų149122.1 Ų122.165%0.64863%0.63SS**  trans-68.4105169-74.2172.1-177.7159.90108.4K573K573-K575 PolarHBondContact O-N 3.35Å
576T45.3Very low55.1Low75 Ų75120.5 Ų120.546%0.4661%0.614SS.*EExtended strand (participates in β ladder)trans-67.8129.8159.228.10000108.5E524 K574E524-T576 HydrophobicContact CB-CG2 4.04Å; E524-T576 HydrophobicContact CG-CG2 4.46Å; K574-T576 PolarHBondContact O-N 3.43Å; K574-T576 VanDerWaalsContact O-N 3.1Å
577V58Low58Low65 Ų65118.1 Ų118.139%0.39460%0.595SS.*EExtended strand (participates in β ladder)trans-114.5122.3171.2-179.20000106.9V525 V527 K579V525-V577 PolarHBondContact N-O 3.13Å; V525-V577 PolarHBondContact O-N 3.45Å; V527-V577 HydrophobicContact CG2-CB 4.15Å; V527-V577 HydrophobicContact CG2-CG2 3.81Å; V577-K579 HydrophobicContact CG1-CG 4.36Å; V577-K579 PolarHBondContact O-N 2.95Å; V577-K579 VanDerWaalsContact O-N 3.15Å
578M54.2Low61Low115 Ų115115.8 Ų115.857%0.56759%0.588SS**EExtended strand (participates in β ladder)trans-66.2112.2170.9-67.5-119.5-88.800108.1E522 E524E522-M578 HydrophobicContact CB-SD 4.18Å; E522-M578 WeakPolarHBondContact OE2-CE 3.33Å; E524-M578 HydrophobicContact CG-SD 4.47Å
579K67.2Low64.1Low115 Ų115110 Ų11050%0.556%0.557SS.*EExtended strand (participates in β ladder)trans-109.3129.9172.1-73.9-172.6175.8-178.60108.5V523 V525 V577 K581V523-K579 PolarHBondContact N-O 2.8Å; V523-K579 PolarHBondContact O-N 2.56Å; V523-K579 VanDerWaalsContact O-N 3.11Å; V525-K579 HydrophobicContact CG2-CB 4.32Å; V577-K579 HydrophobicContact CG1-CG 4.36Å; V577-K579 PolarHBondContact O-N 2.95Å; V577-K579 VanDerWaalsContact O-N 3.15Å; K579-K581 PolarHBondContact O-N 2.7Å
580K70Confident66.8Low135 Ų135107.6 Ų107.659%0.58754%0.54SS*.EExtended strand (participates in β ladder)trans-65.8115166.9-67.5-170.9178.5-169.50108.1E520 E522E520-K580 WeakPolarHBondContact OE2-CD 3.28Å; E522-K580 HydrophobicContact CG-CG 3.73Å; E522-K580 WeakPolarHBondContact OE1-CE 3.41Å
581K76Confident69.6Low126 Ų126102.9 Ų102.955%0.54851%0.508SS..EExtended strand (participates in β ladder)trans-107.9131.5173.6-166.3173.6-176.3179.50107.8K521 V523 K579 F583K521-K581 PolarHBondContact N-O 2.96Å; K521-K581 VanDerWaalsContact N-O 3.08Å; K521-K581 PolarHBondContact O-N 3.33Å; V523-K581 HydrophobicContact CG2-CB 4.2Å; K579-K581 PolarHBondContact O-N 2.7Å; K581-F583 HydrophobicContact CB-CE2 3.93Å; K581-F583 HydrophobicContact CD-CZ 4.38Å; K581-F583 HydrophobicContact CG-CE2 4.33Å; K581-F583 VanDerWaalsContact O-CD2 3.24Å; K581-F583 WeakPolarHBondContact O-CD2 3.4Å
582K78.8Confident72.4Confident127 Ų127103.2 Ų103.255%0.55250%0.498SS*.EExtended strand (participates in β ladder)trans-71.8131.6171.7-71.1-171.3170.6-1590109.5E518 E520E518-K582 IonicContact OE2-NZ 3.6Å; E520-K582 HydrophobicContact CG-CG 3.85Å; E520-K582 WeakPolarHBondContact OE1-CE 3.5Å
583F82.6Confident75.1Confident69 Ų69100.7 Ų100.730%0.30348%0.481SS..EExtended strand (participates in β ladder)trans-118.5148171.3-71.5-92.5000108.8E518 Y519 K521 V523 K581E518-F583 WeakPolarHBondContact CA-O 3.48Å; Y519-F583 HydrophobicContact CD1-CB 4.08Å; Y519-F583 WeakPolarHBondContact CD1-O 3.44Å; Y519-F583 HydrophobicContact CD2-CB 4.27Å; Y519-F583 HydrophobicContact CE1-CB 3.55Å; Y519-F583 HydrophobicContact CE2-CB 3.8Å; Y519-F583 HydrophobicContact CE2-CD2 4.49Å; Y519-F583 HydrophobicContact CE2-CG 4.31Å; Y519-F583 HydrophobicContact CG-CB 4.41Å; Y519-F583 VanDerWaalsContact CZ-CB 3.41Å; Y519-F583 PolarHBondContact N-O 3.45Å; Y519-F583 PolarHBondContact O-N 3.1Å; K521-F583 HydrophobicContact CB-CD2 3.79Å; K521-F583 HydrophobicContact CB-CE2 3.78Å; V523-F583 HydrophobicContact CG2-CE2 3.65Å; V523-F583 HydrophobicContact CG2-CZ 3.76Å; K581-F583 HydrophobicContact CB-CE2 3.93Å; K581-F583 HydrophobicContact CD-CZ 4.38Å; K581-F583 HydrophobicContact CG-CE2 4.33Å; K581-F583 VanDerWaalsContact O-CD2 3.24Å; K581-F583 WeakPolarHBondContact O-CD2 3.4Å
584T85.3Confident78Confident64 Ų6494.6 Ų94.639%0.39346%0.464SS..EExtended strand (participates in β ladder)trans-116.2125.9178.6-52.10000108.7V516 E517 Y586V516-T584 HydrophobicContact CG1-CG2 3.37Å; E517-T584 CarbonylContact O-C 3.54Å; E517-T584 WeakPolarHBondContact O-CA 3.44Å; T584-Y586 HydrophobicContact CG2-CE1 4.06Å; T584-Y586 HydrophobicContact CG2-CE2 3.99Å
585K89.4Confident80.6Confident108 Ų10888.7 Ų88.747%0.4744%0.44SS..EExtended strand (participates in β ladder)trans-105.6139.9170-170.3174178.7-176.20109E517 Y519 H587E517-K585 HydrophobicContact CB-CB 4.46Å; E517-K585 PolarHBondContact N-O 3.32Å; E517-K585 PolarHBondContact O-N 3.24Å; Y519-K585 HydrophobicContact CD1-CB 4.45Å; Y519-K585 HydrophobicContact CE1-CB 4.04Å; K585-H587 WeakPolarHBondContact CE-CE1 3.37Å
586Y91.7Very high82.8Confident107 Ų10784.5 Ų84.542%0.4242%0.423SS..EExtended strand (participates in β ladder)trans-110.8137.8174.1-59.2-82.9000108.9K497 Q514 L515 V516 T584K497-Y586 HydrophobicContact CD-CE1 4.29Å; Q514-Y586 HydrophobicContact CB-CD1 4.27Å; L515-Y586 WeakPolarHBondContact O-CA 3.32Å; V516-Y586 HydrophobicContact CG1-CE1 4.07Å; V516-Y586 HydrophobicContact CG2-CD1 3.99Å; V516-Y586 HydrophobicContact CG2-CE1 3.89Å; T584-Y586 HydrophobicContact CG2-CE1 4.06Å; T584-Y586 HydrophobicContact CG2-CE2 3.99Å
587H91.9Very high85.1Confident62 Ų6283.2 Ų83.229%0.28741%0.412SS..EExtended strand (participates in β ladder)trans-125.5123.6170-48.9-102000108.3Q514 L515 E517 K585Q514-H587 CarbonylContact C-O 3.54Å; Q514-H587 VanDerWaalsContact CA-O 3.28Å; Q514-H587 WeakPolarHBondContact CA-O 3.44Å; L515-H587 HydrophobicContact CB-CB 4.37Å; L515-H587 PolarHBondContact N-O 3.3Å; L515-H587 PolarHBondContact O-N 2.91Å; E517-H587 IonicContact OE2-CD2 3.26Å; E517-H587 IonicContact OE2-CE1 2.73Å; E517-H587 IonicContact OE2-NE2 2.67Å; E517-H587 PolarHBondContact OE2-NE2 3.03Å; K585-H587 WeakPolarHBondContact CE-CE1 3.37Å
588D94.7Very high86.9Confident114 Ų11480.8 Ų80.861%0.6140%0.396SS*.EExtended strand (participates in β ladder)trans-68.1138.3179.8-61.6-60.1000111.1Q512 A513 Q514Q512-D588 PolarHBondContact NE2-OD1 3.08Å; Q512-D588 VanDerWaalsContact NE2-OD1 3.13Å; A513-D588 WeakPolarHBondContact O-CA 3.33Å; Q514-D588 WeakPolarHBondContact CG-OD1 3.45Å; Q514-D588 PolarHBondContact NE2-OD1 3.34Å
589L94Very high88.9Confident21 Ų2179 Ų7911%0.1139%0.392CS..  trans-105.9150.8177.3-61.7177000110.2I483 I496 A513 L515I483-L589 HydrophobicContact CG2-CB 4.32Å; I483-L589 HydrophobicContact CG2-CD1 4.07Å; I496-L589 HydrophobicContact CD1-CD1 3.83Å; I496-L589 HydrophobicContact CG1-CD1 4.1Å; I496-L589 HydrophobicContact CG2-CD1 3.76Å; A513-L589 HydrophobicContact CB-CB 4.13Å; A513-L589 PolarHBondContact O-N 3.23Å; L515-L589 HydrophobicContact CB-CD1 4.38Å; L515-L589 HydrophobicContact CB-CD2 4.22Å; L515-L589 HydrophobicContact CB-CG 4.35Å
590S95.1Very high90.2Very high66 Ų6678.6 Ų78.646%0.46240%0.399SS..  trans-62.4144.1171.746.90000111.6I483 G484I483-S590 WeakPolarHBondContact CA-O 3.39Å; G484-S590 WeakPolarHBondContact CA-OG 3.34Å; G484-S590 PolarHBondContact N-O 2.91Å; G484-S590 PolarHBondContact O-OG 3.37Å
591I95.7Very high91.5Very high51 Ų5180 Ų8026%0.26241%0.405SS..EExtended strand (participates in β ladder)trans-125.2108.2172.6-53.4177.2000107.3F481 K482 I483 I510 A513 V593F481-I591 HydrophobicContact CD1-CG2 4.12Å; K482-I591 WeakPolarHBondContact O-CA 3.42Å; I483-I591 HydrophobicContact CD1-CB 4.42Å; I483-I591 HydrophobicContact CD1-CG1 4.04Å; I483-I591 HydrophobicContact CD1-CG2 4Å; I510-I591 HydrophobicContact CB-CD1 4.39Å; I510-I591 HydrophobicContact CG2-CD1 3.94Å; A513-I591 HydrophobicContact CB-CD1 3.92Å; A513-I591 HydrophobicContact CB-CG1 3.89Å; I591-V593 HydrophobicContact CG2-CG2 3.89Å
592E95.4Very high92.5Very high117 Ų11776.8 Ų76.855%0.54739%0.393SS..EExtended strand (participates in β ladder)trans-95.1128171.6179.8177.5-164.800108.4F481 K482F481-E592 CarbonylContact C-O 3.59Å; F481-E592 WeakPolarHBondContact CA-O 3.35Å; K482-E592 HydrophobicContact CB-CB 4.26Å; K482-E592 WeakPolarHBondContact CD-OE2 3.14Å; K482-E592 PolarHBondContact N-O 2.9Å; K482-E592 IonicContact NZ-OE2 2.7Å; K482-E592 PolarHBondContact NZ-OE2 2.67Å; K482-E592 PolarHBondContact O-N 3.2Å
593V95.3Very high93.4Very high64 Ų6471.3 Ų71.339%0.38837%0.369SS..EExtended strand (participates in β ladder)trans-119.6128.3-172.8-171.40000110.5F481 I591 N595F481-V593 HydrophobicContact CD1-CB 4.4Å; F481-V593 HydrophobicContact CD1-CG1 4.03Å; F481-V593 HydrophobicContact CD1-CG2 3.72Å; F481-V593 HydrophobicContact CE1-CB 4.4Å; F481-V593 HydrophobicContact CE1-CG1 3.66Å; F481-V593 HydrophobicContact CE1-CG2 3.84Å; F481-V593 HydrophobicContact CZ-CG1 4.07Å; I591-V593 HydrophobicContact CG2-CG2 3.89Å; V593-N595 WeakPolarHBondContact CG1-ND2 3.29Å
594S94.7Very high94.1Very high81 Ų8172.7 Ų72.757%0.56638%0.38SS*.EExtended strand (participates in β ladder)trans-116.9119.5170.9-174.70000109.7G479 T480G479-S594 CarbonylContact C-O 3.57Å; G479-S594 WeakPolarHBondContact CA-O 3.39Å; T480-S594 PolarHBondContact N-O 2.93Å; T480-S594 PolarHBondContact O-N 2.64Å
595N93.6Very high94.7Very high31 Ų3174.6 Ų74.617%0.16638%0.384CS..SBendtrans-156.3-171.2179.862.433.2000110.3R156 I478 V593 Q597R156-N595 VanDerWaalsContact CZ-ND2 3.31Å; R156-N595 PolarHBondContact NH1-ND2 3.39Å; I478-N595 WeakPolarHBondContact O-CB 3.5Å; V593-N595 WeakPolarHBondContact CG1-ND2 3.29Å; N595-Q597 VanDerWaalsContact C-N 3.25Å; N595-Q597 PolarHBondContact O-N 3.44Å; N595-Q597 WeakPolarHBondContact OD1-CB 3.34Å; N595-Q597 PolarHBondContact OD1-N 3.24Å
596M90.3Very high95.1Very high61 Ų6170.4 Ų70.430%0.337%0.366SS..SBendtrans-75.9-0.2-179.8-70.9-6599.800115.2R100 A153R100-M596 PolarHBondContact NH1-O 3.3Å; R100-M596 PolarHBondContact NH2-O 3.28Å; R100-M596 VanDerWaalsContact NH2-O 3.14Å; A153-M596 HydrophobicContact CB-CB 4.01Å; A153-M596 HydrophobicContact CB-CG 4.09Å
597Q94Very high95.3Very high49 Ų4967.5 Ų67.523%0.22936%0.361CS..PPolyproline II helixtrans-67148.1177.5-153151.8700111.6R156 D160 K163 N595R156-Q597 HydrophobicContact CB-CG 4.34Å; D160-Q597 WeakPolarHBondContact OD1-CG 3.25Å; D160-Q597 PolarHBondContact OD1-NE2 2.94Å; D160-Q597 WeakPolarHBondContact OD2-CG 3.49Å; K163-Q597 VanDerWaalsContact NZ-NE2 3.17Å; N595-Q597 VanDerWaalsContact C-N 3.25Å; N595-Q597 PolarHBondContact O-N 3.44Å; N595-Q597 WeakPolarHBondContact OD1-CB 3.34Å; N595-Q597 PolarHBondContact OD1-N 3.24Å
598F95.4Very high95.6Very high13 Ų1370.7 Ų70.76%0.05738%0.376CS..PPolyproline II helixtrans-78.4146.1171.1-71.6-79.6000110.7V115 E117 D160 Q602 L603 F606V115-F598 HydrophobicContact CB-CZ 4.21Å; V115-F598 HydrophobicContact CG1-CZ 4.12Å; V115-F598 HydrophobicContact CG2-CE2 4.32Å; V115-F598 HydrophobicContact CG2-CZ 3.9Å; E117-F598 HydrophobicContact CB-CE2 4.29Å; E117-F598 HydrophobicContact CG-CE2 3.91Å; D160-F598 HydrophobicContact CB-CD2 4.43Å; D160-F598 PolarHBondContact OD2-N 3.36Å; F598-Q602 HydrophobicContact CB-CB 4.26Å; F598-Q602 HydrophobicContact CD1-CB 4.24Å; F598-L603 HydrophobicContact CB-CD2 3.81Å; F598-L603 HydrophobicContact CB-CG 3.92Å; F598-F606 AromaticContact CD1-CE2 3.74Å; F598-F606 HydrophobicContact CD1-CE2 3.74Å; F598-F606 AromaticContact CD1-CZ 3.99Å; F598-F606 HydrophobicContact CD1-CZ 3.99Å; F598-F606 HydrophobicContact CD2-CE2 4.1Å; F598-F606 AromaticContact CE1-CE2 3.81Å; F598-F606 HydrophobicContact CE1-CE2 3.81Å; F598-F606 AromaticContact CE1-CZ 3.84Å; F598-F606 HydrophobicContact CE1-CZ 3.84Å; F598-F606 HydrophobicContact CE2-CE2 4.16Å; F598-F606 AromaticContact CG-CE2 3.88Å; F598-F606 HydrophobicContact CG-CE2 3.88Å; F598-F606 HydrophobicContact CZ-CE2 4.01Å; F598-F606 HydrophobicContact CZ-CZ 4.3Å
599T95.4Very high95.6Very high79 Ų7968 Ų6849%0.48536%0.361SS..PPolyproline II helixtrans-67.6153.3174.263.60000110.9K601 Q602 L603T599-K601 PolarHBondContact O-N 3.17Å; T599-K601 VanDerWaalsContact O-N 3.07Å; T599-Q602 PolarHBondContact O-N 3.41Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.44Å; T599-Q602 PolarHBondContact OG1-N 2.76Å; T599-Q602 PolarHBondContact OG1-OE1 2.68Å; T599-L603 WeakPolarHBondContact O-CG 3.33Å; T599-L603 PolarHBondContact O-N 2.87Å
600T96Very high95.5Very high106 Ų10667.7 Ų67.765%0.6536%0.362SS*.Hα-helixtrans-52.3-33.8175.1-46.90000112.6N604T600-N604 WeakPolarHBondContact O-CB 3.49Å; T600-N604 PolarHBondContact O-N 3.32Å; T600-N604 PolarHBondContact O-ND2 3.19Å; T600-N604 PolarHBondContact O-OD1 3.26Å
601K97.1Very high95.6Very high163 Ų16367.2 Ų67.271%0.70936%0.363SS*.Hα-helixtrans-63.8-49.5175.8-173.3-174.8174.9-172.60112T599 L603 N604 E605T599-K601 PolarHBondContact O-N 3.17Å; T599-K601 VanDerWaalsContact O-N 3.07Å; K601-L603 VanDerWaalsContact C-N 3.35Å; K601-N604 PolarHBondContact O-N 3.26Å; K601-E605 PolarHBondContact O-N 3.19Å
602Q95.9Very high95.5Very high60 Ų6068.9 Ų68.928%0.2837%0.372SS..Hα-helixtrans-64.6-40.3178.2-69.8163.5-65.100111.4F598 T599 N604 E605 F606F598-Q602 HydrophobicContact CB-CB 4.26Å; F598-Q602 HydrophobicContact CD1-CB 4.24Å; T599-Q602 PolarHBondContact O-N 3.41Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.44Å; T599-Q602 PolarHBondContact OG1-N 2.76Å; T599-Q602 PolarHBondContact OG1-OE1 2.68Å; Q602-N604 VanDerWaalsContact C-N 3.34Å; Q602-N604 PolarHBondContact O-N 3.37Å; Q602-E605 WeakPolarHBondContact O-CB 3.31Å; Q602-E605 PolarHBondContact O-N 3.11Å; Q602-F606 HydrophobicContact CB-CZ 4.37Å; Q602-F606 WeakPolarHBondContact O-CD1 3.37Å; Q602-F606 WeakPolarHBondContact O-CG 3.46Å; Q602-F606 PolarHBondContact O-N 2.76Å
603L97.5Very high95.4Very high11 Ų1164.2 Ų64.26%0.05835%0.351CS..Hα-helixtrans-61.3-42.6175.7-67.3174.6000111.8D160 K163 V164 F598 T599 K601 F606 C607D160-L603 HydrophobicContact CB-CD2 3.71Å; K163-L603 HydrophobicContact CD-CD1 3.85Å; V164-L603 HydrophobicContact CG2-CD2 4.03Å; F598-L603 HydrophobicContact CB-CD2 3.81Å; F598-L603 HydrophobicContact CB-CG 3.92Å; T599-L603 WeakPolarHBondContact O-CG 3.33Å; T599-L603 PolarHBondContact O-N 2.87Å; K601-L603 VanDerWaalsContact C-N 3.35Å; L603-F606 HydrophobicContact CD2-CD2 4.47Å; L603-F606 PolarHBondContact O-N 3.43Å; L603-C607 PolarHBondContact O-N 2.64Å; L603-C607 PolarHBondContact O-SG 2.89Å
604N97.8Very high95.3Very high99 Ų9964.8 Ų64.853%0.52935%0.351SS..Hα-helixtrans-64.3-40.6176.2-69.6-8.9000112.3T600 K601 Q602 F606 C607 E608T600-N604 WeakPolarHBondContact O-CB 3.49Å; T600-N604 PolarHBondContact O-N 3.32Å; T600-N604 PolarHBondContact O-ND2 3.19Å; T600-N604 PolarHBondContact O-OD1 3.26Å; K601-N604 PolarHBondContact O-N 3.26Å; Q602-N604 VanDerWaalsContact C-N 3.34Å; Q602-N604 PolarHBondContact O-N 3.37Å; N604-F606 VanDerWaalsContact C-N 3.35Å; N604-C607 WeakPolarHBondContact O-CB 3.49Å; N604-C607 PolarHBondContact O-N 3.43Å; N604-E608 PolarHBondContact O-N 3.46Å
605E97.2Very high95.2Very high104 Ų10466.7 Ų66.749%0.48635%0.351SS..Hα-helixtrans-61.5-42.1173.5-178.5177.4177.300111.4K601 Q602 E608 I609K601-E605 PolarHBondContact O-N 3.19Å; Q602-E605 WeakPolarHBondContact O-CB 3.31Å; Q602-E605 PolarHBondContact O-N 3.11Å; E605-E608 PolarHBondContact O-N 3.14Å; E605-I609 HydrophobicContact CG-CD1 4.24Å; E605-I609 VanDerWaalsContact O-CG1 3.32Å; E605-I609 WeakPolarHBondContact O-CG1 3.49Å; E605-I609 PolarHBondContact O-N 3.17Å
606F97.5Very high95.2Very high20 Ų2067.3 Ų67.39%0.08835%0.353CS..Hα-helixtrans-65.4-39174.9-61.9-13000112.4V115 Q118 V164 F598 Q602 L603 N604 G610V115-F606 HydrophobicContact CG2-CD2 4.49Å; V115-F606 HydrophobicContact CG2-CE2 3.79Å; V115-F606 HydrophobicContact CG2-CZ 3.86Å; Q118-F606 HydrophobicContact CG-CB 4.03Å; Q118-F606 HydrophobicContact CG-CD1 4.09Å; Q118-F606 HydrophobicContact CG-CD2 4.02Å; Q118-F606 HydrophobicContact CG-CG 3.79Å; V164-F606 HydrophobicContact CB-CB 4.5Å; V164-F606 HydrophobicContact CG1-CB 3.9Å; V164-F606 HydrophobicContact CG2-CB 3.66Å; V164-F606 HydrophobicContact CG2-CD2 4.27Å; F598-F606 AromaticContact CD1-CE2 3.74Å; F598-F606 HydrophobicContact CD1-CE2 3.74Å; F598-F606 AromaticContact CD1-CZ 3.99Å; F598-F606 HydrophobicContact CD1-CZ 3.99Å; F598-F606 HydrophobicContact CD2-CE2 4.1Å; F598-F606 AromaticContact CE1-CE2 3.81Å; F598-F606 HydrophobicContact CE1-CE2 3.81Å; F598-F606 AromaticContact CE1-CZ 3.84Å; F598-F606 HydrophobicContact CE1-CZ 3.84Å; F598-F606 HydrophobicContact CE2-CE2 4.16Å; F598-F606 AromaticContact CG-CE2 3.88Å; F598-F606 HydrophobicContact CG-CE2 3.88Å; F598-F606 HydrophobicContact CZ-CE2 4.01Å; F598-F606 HydrophobicContact CZ-CZ 4.3Å; Q602-F606 HydrophobicContact CB-CZ 4.37Å; Q602-F606 WeakPolarHBondContact O-CD1 3.37Å; Q602-F606 WeakPolarHBondContact O-CG 3.46Å; Q602-F606 PolarHBondContact O-N 2.76Å; L603-F606 HydrophobicContact CD2-CD2 4.47Å; L603-F606 PolarHBondContact O-N 3.43Å; N604-F606 VanDerWaalsContact C-N 3.35Å; F606-G610 PolarHBondContact O-N 3.12Å
607C97.4Very high95.2Very high45 Ų4565.4 Ų65.430%0.30434%0.344SS..Hα-helixtrans-61.1-43.1172.8-67.80000111.8L603 N604 G610 A611L603-C607 PolarHBondContact O-N 2.64Å; L603-C607 PolarHBondContact O-SG 2.89Å; N604-C607 WeakPolarHBondContact O-CB 3.49Å; N604-C607 PolarHBondContact O-N 3.43Å; C607-G610 PolarHBondContact O-N 2.92Å; C607-A611 WeakPolarHBondContact O-CB 3.49Å; C607-A611 PolarHBondContact O-N 3.48Å
608E96.9Very high95.1Very high130 Ų13068.9 Ų68.961%0.60736%0.358SS*.Hα-helixtrans-64.9-45.5178.6-175.2177178.500111.5N604 E605 G610 A611 N612N604-E608 PolarHBondContact O-N 3.46Å; E605-E608 PolarHBondContact O-N 3.14Å; E608-G610 VanDerWaalsContact C-N 3.34Å; E608-G610 PolarHBondContact O-N 3.46Å; E608-A611 PolarHBondContact O-N 2.97Å; E608-N612 WeakPolarHBondContact O-CB 3.5Å; E608-N612 VanDerWaalsContact O-CG 3.32Å; E608-N612 PolarHBondContact O-N 3.08Å; E608-N612 PolarHBondContact O-ND2 2.64Å
609I94.5Very high95Very high57 Ų5772.7 Ų72.729%0.29238%0.379SS..Hα-helixtrans-58.3-47.2173.4-66.9164.6000110.5F114 E605 N612 L613F114-I609 HydrophobicContact CE1-CG2 3.84Å; F114-I609 HydrophobicContact CZ-CG2 4.37Å; E605-I609 HydrophobicContact CG-CD1 4.24Å; E605-I609 VanDerWaalsContact O-CG1 3.32Å; E605-I609 WeakPolarHBondContact O-CG1 3.49Å; E605-I609 PolarHBondContact O-N 3.17Å; I609-N612 PolarHBondContact O-N 2.72Å; I609-L613 HydrophobicContact CG2-CD1 4.25Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å
610G94Very high94.9Very high14 Ų1471.1 Ų71.114%0.14437%0.366CS..Hα-helixtrans-61.2-44.3178.100000113.2F606 C607 E608 N612 L613 I614F606-G610 PolarHBondContact O-N 3.12Å; C607-G610 PolarHBondContact O-N 2.92Å; E608-G610 VanDerWaalsContact C-N 3.34Å; E608-G610 PolarHBondContact O-N 3.46Å; G610-N612 PolarHBondContact O-N 3.48Å; G610-L613 PolarHBondContact O-N 2.92Å; G610-I614 WeakPolarHBondContact O-CD1 3.48Å; G610-I614 VanDerWaalsContact O-CG1 3.29Å; G610-I614 WeakPolarHBondContact O-CG1 3.41Å; G610-I614 PolarHBondContact O-N 3.21Å
611A95.3Very high94.6Very high57 Ų5771.9 Ų71.947%0.47136%0.357SS..Hα-helixtrans-62.9-41.2177.300000112.3C607 E608 I614 Q615C607-A611 WeakPolarHBondContact O-CB 3.49Å; C607-A611 PolarHBondContact O-N 3.48Å; E608-A611 PolarHBondContact O-N 2.97Å; A611-I614 PolarHBondContact O-N 3.41Å; A611-Q615 WeakPolarHBondContact O-CB 3.22Å; A611-Q615 PolarHBondContact O-N 2.86Å
612N93.9Very high94.4Very high86 Ų8667 Ų6746%0.4634%0.336SS..Hα-helixtrans-63.8-41176.1-75.3-40.7000112.2E608 I609 G610 Q615 Q616E608-N612 WeakPolarHBondContact O-CB 3.5Å; E608-N612 VanDerWaalsContact O-CG 3.32Å; E608-N612 PolarHBondContact O-N 3.08Å; E608-N612 PolarHBondContact O-ND2 2.64Å; I609-N612 PolarHBondContact O-N 2.72Å; G610-N612 PolarHBondContact O-N 3.48Å; N612-Q615 PolarHBondContact O-N 3.24Å; N612-Q616 WeakPolarHBondContact O-CB 3.45Å; N612-Q616 PolarHBondContact O-N 2.93Å
613L93.9Very high94.4Very high18 Ų1866.2 Ų66.29%0.09433%0.331CS..Hα-helixtrans-62.1-50.5174.2-68.8171.2000111.3F43 V48 L107 F114 I122 I609 G610 Q615 Q616 D617F43-L613 HydrophobicContact CE1-CD1 4.24Å; F43-L613 HydrophobicContact CE1-CD2 4.43Å; V48-L613 HydrophobicContact CG2-CB 4.24Å; V48-L613 HydrophobicContact CG2-CD1 4.34Å; V48-L613 HydrophobicContact CG2-CD2 3.94Å; V48-L613 HydrophobicContact CG2-CG 4.39Å; L107-L613 HydrophobicContact CD1-CD2 4.1Å; L107-L613 HydrophobicContact CD2-CD2 4.15Å; F114-L613 HydrophobicContact CE1-CD1 4.03Å; F114-L613 HydrophobicContact CZ-CD1 4.12Å; I122-L613 HydrophobicContact CD1-CD1 4.17Å; I609-L613 HydrophobicContact CG2-CD1 4.25Å; I609-L613 WeakPolarHBondContact O-CG 3.49Å; I609-L613 PolarHBondContact O-N 2.95Å; G610-L613 PolarHBondContact O-N 2.92Å; L613-Q615 VanDerWaalsContact C-N 3.3Å; L613-Q615 PolarHBondContact O-N 3.33Å; L613-Q616 PolarHBondContact O-N 2.81Å; L613-Q616 VanDerWaalsContact O-N 3.09Å; L613-D617 PolarHBondContact O-N 2.75Å
614I92.6Very high94.1Very high77 Ų7768 Ų6840%0.39534%0.342SS..Hα-helixtrans-59.2-40.9178.9-66.4160.4000111.6N125 G610 A611 K618N125-I614 WeakPolarHBondContact ND2-CD1 3.41Å; N125-I614 WeakPolarHBondContact OD1-CD1 3.25Å; G610-I614 WeakPolarHBondContact O-CD1 3.48Å; G610-I614 VanDerWaalsContact O-CG1 3.29Å; G610-I614 WeakPolarHBondContact O-CG1 3.41Å; G610-I614 PolarHBondContact O-N 3.21Å; A611-I614 PolarHBondContact O-N 3.41Å; I614-K618 WeakPolarHBondContact O-CB 3.35Å; I614-K618 PolarHBondContact O-N 2.99Å
615Q93.6Very high94Very high121 Ų12167.9 Ų67.957%0.56534%0.342SS*.Hα-helixtrans-66.2-40.8176.5-177.2174.4-500111.7A611 N612 L613 K618 L619A611-Q615 WeakPolarHBondContact O-CB 3.22Å; A611-Q615 PolarHBondContact O-N 2.86Å; N612-Q615 PolarHBondContact O-N 3.24Å; L613-Q615 VanDerWaalsContact C-N 3.3Å; L613-Q615 PolarHBondContact O-N 3.33Å; Q615-K618 PolarHBondContact O-N 2.79Å; Q615-L619 HydrophobicContact CG-CD1 4.24Å; Q615-L619 VanDerWaalsContact O-CG 3.31Å; Q615-L619 WeakPolarHBondContact O-CG 3.45Å; Q615-L619 PolarHBondContact O-N 2.71Å
616Q92.2Very high93.9Very high43 Ų4363.7 Ų63.720%0.20132%0.324CS..Hα-helixtrans-64.9-47.1176.4-179.4167.9-56.400111.6D46 N612 L613 K618 L619 E620D46-Q616 PolarHBondContact O-NE2 3.31Å; D46-Q616 PolarHBondContact OD1-NE2 3.18Å; N612-Q616 WeakPolarHBondContact O-CB 3.45Å; N612-Q616 PolarHBondContact O-N 2.93Å; L613-Q616 PolarHBondContact O-N 2.81Å; L613-Q616 VanDerWaalsContact O-N 3.09Å; Q616-K618 VanDerWaalsContact C-N 3.28Å; Q616-K618 PolarHBondContact O-N 2.75Å; Q616-L619 PolarHBondContact O-N 3.02Å; Q616-L619 VanDerWaalsContact O-N 3.15Å; Q616-E620 PolarHBondContact O-N 2.82Å
617D91.7Very high93.9Very high21 Ų2164.2 Ų64.211%0.11233%0.326CS..Hα-helixtrans-57.5-41.9176.2-71-32.2000111.6L47 V48 L613 R621L47-D617 WeakPolarHBondContact CA-OD1 3.29Å; L47-D617 HydrophobicContact CD2-CB 4.43Å; V48-D617 WeakPolarHBondContact CB-OD2 3.29Å; V48-D617 PolarHBondContact N-OD1 2.99Å; L613-D617 PolarHBondContact O-N 2.75Å; D617-R621 VanDerWaalsContact O-CB 3.22Å; D617-R621 WeakPolarHBondContact O-CB 3.28Å; D617-R621 PolarHBondContact O-N 3.16Å
618K92.2Very high93.9Very high122 Ų12265.6 Ų65.653%0.5333%0.331SS..Hα-helixtrans-62.2-48.1175.3177.4177.8170.2178.90111.8I614 Q615 Q616 E620 R621 E622I614-K618 WeakPolarHBondContact O-CB 3.35Å; I614-K618 PolarHBondContact O-N 2.99Å; Q615-K618 PolarHBondContact O-N 2.79Å; Q616-K618 VanDerWaalsContact C-N 3.28Å; Q616-K618 PolarHBondContact O-N 2.75Å; K618-E620 VanDerWaalsContact C-N 3.33Å; K618-E620 PolarHBondContact O-N 3.07Å; K618-R621 PolarHBondContact O-N 3.44Å; K618-E622 WeakPolarHBondContact CE-OE1 3.44Å; K618-E622 IonicContact NZ-OE1 2.64Å; K618-E622 WeakPolarHBondContact O-CB 3.45Å; K618-E622 WeakPolarHBondContact O-CG 2.84Å; K618-E622 PolarHBondContact O-N 3.01Å
619L93Very high93.9Very high93 Ų9360.9 Ų60.949%0.48731%0.313SS..Hα-helixtrans-63.4-39.2-179.2-73.2170.1000112Q615 Q616 E622 R623Q615-L619 HydrophobicContact CG-CD1 4.24Å; Q615-L619 VanDerWaalsContact O-CG 3.31Å; Q615-L619 WeakPolarHBondContact O-CG 3.45Å; Q615-L619 PolarHBondContact O-N 2.71Å; Q616-L619 PolarHBondContact O-N 3.02Å; Q616-L619 VanDerWaalsContact O-N 3.15Å; L619-E622 PolarHBondContact O-N 2.99Å; L619-R623 WeakPolarHBondContact O-CB 3.42Å; L619-R623 PolarHBondContact O-N 2.7Å
620E92Very high94.1Very high47 Ų4758.1 Ų58.122%0.2230%0.299CS..Hα-helixtrans-71.7-39.7177.6-177.955.5-157.100111.7L47 Q616 K618 E622 R623 V624L47-E620 HydrophobicContact CD1-CG 4.13Å; L47-E620 HydrophobicContact CD2-CB 3.72Å; L47-E620 HydrophobicContact CD2-CG 3.63Å; L47-E620 HydrophobicContact CG-CB 4.44Å; L47-E620 HydrophobicContact CG-CG 3.84Å; Q616-E620 PolarHBondContact O-N 2.82Å; K618-E620 VanDerWaalsContact C-N 3.33Å; K618-E620 PolarHBondContact O-N 3.07Å; E620-E622 PolarHBondContact O-N 3.31Å; E620-R623 WeakPolarHBondContact O-CB 3.06Å; E620-R623 PolarHBondContact O-N 3.4Å; E620-R623 VanDerWaalsContact O-N 3.14Å; E620-R623 IonicContact OE1-CZ 3.54Å; E620-R623 VanDerWaalsContact OE1-CZ 3.26Å; E620-R623 IonicContact OE1-NE 3.43Å; E620-R623 PolarHBondContact OE1-NE 3.19Å; E620-R623 IonicContact OE1-NH2 2.84Å; E620-R623 PolarHBondContact OE1-NH2 2.88Å; E620-R623 VanDerWaalsContact OE2-CD 3.29Å; E620-R623 WeakPolarHBondContact OE2-CD 3.27Å; E620-R623 IonicContact OE2-CZ 3.86Å; E620-R623 IonicContact OE2-NE 3.62Å; E620-R623 PolarHBondContact OE2-NE 3.22Å; E620-R623 IonicContact OE2-NH2 3.8Å; E620-V624 WeakPolarHBondContact O-CG2 3.47Å; E620-V624 PolarHBondContact O-N 3.33Å
621R90Very high94.2Very high122 Ų12259.8 Ų59.846%0.4630%0.303SS..Hα-helixtrans-59.7-44.1171.3-166.7-172.6-54.1174.90.8111.8E129 D617 K618 R623 V624 N625E129-R621 IonicContact OE1-CZ 3.58Å; E129-R621 IonicContact OE1-NH1 2.97Å; E129-R621 PolarHBondContact OE1-NH1 3.31Å; E129-R621 IonicContact OE1-NH2 2.71Å; E129-R621 PolarHBondContact OE1-NH2 2.93Å; D617-R621 VanDerWaalsContact O-CB 3.22Å; D617-R621 WeakPolarHBondContact O-CB 3.28Å; D617-R621 PolarHBondContact O-N 3.16Å; K618-R621 PolarHBondContact O-N 3.44Å; R621-R623 VanDerWaalsContact C-N 3.31Å; R621-R623 PolarHBondContact O-N 2.95Å; R621-V624 PolarHBondContact O-N 3Å; R621-N625 WeakPolarHBondContact O-CB 3.18Å; R621-N625 PolarHBondContact O-N 3.4Å; R621-N625 PolarHBondContact O-OD1 3.08Å
622E93.7Very high94.3Very high60 Ų6063.5 Ų63.528%0.2831%0.311SS..Hα-helixtrans-64.8-33.2174.4-74.5178.8-174.700112.7K618 L619 E620 S626K618-E622 WeakPolarHBondContact CE-OE1 3.44Å; K618-E622 IonicContact NZ-OE1 2.64Å; K618-E622 WeakPolarHBondContact O-CB 3.45Å; K618-E622 WeakPolarHBondContact O-CG 2.84Å; K618-E622 PolarHBondContact O-N 3.01Å; L619-E622 PolarHBondContact O-N 2.99Å; E620-E622 PolarHBondContact O-N 3.31Å; E622-S626 WeakPolarHBondContact O-CB 3.33Å; E622-S626 PolarHBondContact O-N 3.01Å; E622-S626 VanDerWaalsContact O-N 3.12Å; E622-S626 PolarHBondContact O-OG 3.43Å
623R94.7Very high94.5Very high43 Ų4360.1 Ų60.116%0.16229%0.292CS..Hα-helixtrans-67-51.4174.6-171.9-167.38176.96.1111.2L619 E620 R621 S626 K627 L675 R677 Y680L619-R623 WeakPolarHBondContact O-CB 3.42Å; L619-R623 PolarHBondContact O-N 2.7Å; E620-R623 WeakPolarHBondContact O-CB 3.06Å; E620-R623 PolarHBondContact O-N 3.4Å; E620-R623 VanDerWaalsContact O-N 3.14Å; E620-R623 IonicContact OE1-CZ 3.54Å; E620-R623 VanDerWaalsContact OE1-CZ 3.26Å; E620-R623 IonicContact OE1-NE 3.43Å; E620-R623 PolarHBondContact OE1-NE 3.19Å; E620-R623 IonicContact OE1-NH2 2.84Å; E620-R623 PolarHBondContact OE1-NH2 2.88Å; E620-R623 VanDerWaalsContact OE2-CD 3.29Å; E620-R623 WeakPolarHBondContact OE2-CD 3.27Å; E620-R623 IonicContact OE2-CZ 3.86Å; E620-R623 IonicContact OE2-NE 3.62Å; E620-R623 PolarHBondContact OE2-NE 3.22Å; E620-R623 IonicContact OE2-NH2 3.8Å; R621-R623 VanDerWaalsContact C-N 3.31Å; R621-R623 PolarHBondContact O-N 2.95Å; R623-S626 WeakPolarHBondContact O-CB 3.46Å; R623-S626 PolarHBondContact O-N 3.18Å; R623-S626 VanDerWaalsContact O-N 3.15Å; R623-K627 PolarHBondContact O-N 3.33Å; R623-L675 VanDerWaalsContact CD-O 3.29Å; R623-L675 WeakPolarHBondContact CD-O 3.4Å; R623-L675 PolarHBondContact NH1-O 2.89Å; R623-L675 VanDerWaalsContact NH1-O 3.12Å; R623-R677 HydrophobicContact CB-CB 4.22Å; R623-R677 HydrophobicContact CG-CB 4.28Å; R623-Y680 HydrophobicContact CG-CD2 4.41Å; R623-Y680 HydrophobicContact CG-CE2 3.99Å; R623-Y680 PolarHBondContact NH1-OH 3.11Å
624V92.7Very high94.7Very high48 Ų4859.3 Ų59.329%0.29129%0.288SS..Hα-helixtrans-60.6-48.2177.71730000110.6E620 R621 S626 K627 N628E620-V624 WeakPolarHBondContact O-CG2 3.47Å; E620-V624 PolarHBondContact O-N 3.33Å; R621-V624 PolarHBondContact O-N 3Å; V624-S626 PolarHBondContact O-N 2.92Å; V624-K627 WeakPolarHBondContact O-CB 3.32Å; V624-K627 PolarHBondContact O-N 2.68Å; V624-N628 PolarHBondContact O-N 3.48Å; V624-N628 PolarHBondContact O-OD1 2.84Å; V624-N628 VanDerWaalsContact O-OD1 3.05Å
625N94.5Very high94.9Very high98 Ų9860.2 Ų60.252%0.52429%0.287SS..Hα-helixtrans-58-34.7175.9-70.54.7000112.4R621 A629R621-N625 WeakPolarHBondContact O-CB 3.18Å; R621-N625 PolarHBondContact O-N 3.4Å; R621-N625 PolarHBondContact O-OD1 3.08Å; N625-A629 WeakPolarHBondContact O-CB 3.48Å; N625-A629 PolarHBondContact O-N 2.89Å
626S96.7Very high95.1Very high16 Ų1658.7 Ų58.711%0.11228%0.28CS..Hα-helixtrans-72.2-35.2176.2-53.20000112.3E622 R623 V624 V630 R677 Y680E622-S626 WeakPolarHBondContact O-CB 3.33Å; E622-S626 PolarHBondContact O-N 3.01Å; E622-S626 VanDerWaalsContact O-N 3.12Å; E622-S626 PolarHBondContact O-OG 3.43Å; R623-S626 WeakPolarHBondContact O-CB 3.46Å; R623-S626 PolarHBondContact O-N 3.18Å; R623-S626 VanDerWaalsContact O-N 3.15Å; V624-S626 PolarHBondContact O-N 2.92Å; S626-V630 PolarHBondContact O-N 3.28Å; S626-R677 WeakPolarHBondContact OG-CG 3.44Å; S626-R677 PolarHBondContact OG-NE 2.87Å; S626-Y680 WeakPolarHBondContact O-CB 3.36Å
627K96.9Very high95.3Very high30 Ų3056.8 Ų56.813%0.1327%0.271CS..Hα-helixtrans-63.5-51.1171.6-175.9-178.51791760110.6R623 V624 A629 V630 E631 L668 E673 Y680R623-K627 PolarHBondContact O-N 3.33Å; V624-K627 WeakPolarHBondContact O-CB 3.32Å; V624-K627 PolarHBondContact O-N 2.68Å; K627-A629 VanDerWaalsContact C-N 3.26Å; K627-A629 PolarHBondContact O-N 3.45Å; K627-V630 WeakPolarHBondContact O-CB 3.46Å; K627-V630 PolarHBondContact O-N 3.48Å; K627-E631 PolarHBondContact O-N 3.31Å; K627-E631 VanDerWaalsContact O-N 3.12Å; K627-L668 HydrophobicContact CG-CD2 3.81Å; K627-L668 PolarHBondContact NZ-O 2.97Å; K627-E673 PolarHBondContact NZ-O 3.1Å; K627-Y680 HydrophobicContact CB-CD1 4.06Å; K627-Y680 HydrophobicContact CB-CD2 4.05Å; K627-Y680 HydrophobicContact CB-CE1 3.98Å; K627-Y680 HydrophobicContact CB-CE2 3.96Å; K627-Y680 HydrophobicContact CB-CG 4.11Å; K627-Y680 HydrophobicContact CD-CE1 4.27Å; K627-Y680 HydrophobicContact CG-CD1 4.17Å; K627-Y680 HydrophobicContact CG-CE1 3.79Å
628N96.1Very high95.6Very high75 Ų7557.7 Ų57.740%0.40127%0.273SS..Hα-helixtrans-60-35.6-179.8-63.716.4000111.8V624 V630 E631 E632V624-N628 PolarHBondContact O-N 3.48Å; V624-N628 PolarHBondContact O-OD1 2.84Å; V624-N628 VanDerWaalsContact O-OD1 3.05Å; N628-V630 VanDerWaalsContact C-N 3.3Å; N628-V630 PolarHBondContact O-N 3.39Å; N628-E631 PolarHBondContact O-N 3.4Å; N628-E632 VanDerWaalsContact O-CB 3.31Å; N628-E632 WeakPolarHBondContact O-CB 3.44Å; N628-E632 PolarHBondContact O-N 3.01Å
629A97.7Very high95.8Very high30 Ų3055.8 Ų55.825%0.24828%0.275CS..Hα-helixtrans-67.9-25175.700000114N625 K627 Y633 L684N625-A629 WeakPolarHBondContact O-CB 3.48Å; N625-A629 PolarHBondContact O-N 2.89Å; K627-A629 VanDerWaalsContact C-N 3.26Å; K627-A629 PolarHBondContact O-N 3.45Å; A629-Y633 WeakPolarHBondContact O-CB 3.46Å; A629-Y633 PolarHBondContact O-N 3.44Å; A629-L684 HydrophobicContact CB-CD2 4.22Å
630V98.1Very high95.9Very high0 Ų054.9 Ų54.90%027%0.267CS..Hα-helixtrans-73.7-47.3169.2-178.60000109.6S626 K627 N628 Y633 V634 T664 L668 Y680 K683 L684 L687S626-V630 PolarHBondContact O-N 3.28Å; K627-V630 WeakPolarHBondContact O-CB 3.46Å; K627-V630 PolarHBondContact O-N 3.48Å; N628-V630 VanDerWaalsContact C-N 3.3Å; N628-V630 PolarHBondContact O-N 3.39Å; V630-Y633 PolarHBondContact O-N 2.78Å; V630-V634 HydrophobicContact CG1-CG2 4.38Å; V630-V634 VanDerWaalsContact O-CG2 3.29Å; V630-V634 WeakPolarHBondContact O-CG2 3.11Å; V630-V634 PolarHBondContact O-N 2.93Å; V630-T664 HydrophobicContact CG1-CG2 3.66Å; V630-L668 HydrophobicContact CB-CD1 4.42Å; V630-L668 HydrophobicContact CB-CD2 4.36Å; V630-L668 HydrophobicContact CG1-CD1 4Å; V630-L668 HydrophobicContact CG1-CD2 4.29Å; V630-L668 HydrophobicContact CG1-CG 4.37Å; V630-Y680 VanDerWaalsContact CG2-O 3.26Å; V630-Y680 WeakPolarHBondContact CG2-O 3.44Å; V630-K683 HydrophobicContact CG1-CG 4.42Å; V630-L684 HydrophobicContact CG2-CB 4.03Å; V630-L687 HydrophobicContact CG1-CD1 4Å
631E97.2Very high96Very high48 Ų4852.7 Ų52.722%0.22426%0.256CS..Hα-helixtrans-59.5-47.6-179.8-172.3170.5-157.200112K627 N628 V634 Y635 L668 Y669K627-E631 PolarHBondContact O-N 3.31Å; K627-E631 VanDerWaalsContact O-N 3.12Å; N628-E631 PolarHBondContact O-N 3.4Å; E631-V634 PolarHBondContact O-N 2.91Å; E631-Y635 HydrophobicContact CG-CD2 4.13Å; E631-Y635 HydrophobicContact CG-CE2 3.65Å; E631-Y635 WeakPolarHBondContact O-CD2 3.06Å; E631-Y635 PolarHBondContact O-N 2.92Å; E631-Y635 VanDerWaalsContact O-N 3.13Å; E631-L668 HydrophobicContact CB-CD1 3.99Å; E631-Y669 PolarHBondContact OE1-OH 3.49Å
632E97.7Very high96.1Very high136 Ų13653.4 Ų53.464%0.63627%0.265SS*.Hα-helixtrans-57.5-50.4173.9-178.2178-158.600111.7N628 V634 Y635 E636N628-E632 VanDerWaalsContact O-CB 3.31Å; N628-E632 WeakPolarHBondContact O-CB 3.44Å; N628-E632 PolarHBondContact O-N 3.01Å; E632-V634 VanDerWaalsContact C-N 3.29Å; E632-V634 PolarHBondContact O-N 3.43Å; E632-Y635 PolarHBondContact O-N 3.33Å; E632-E636 VanDerWaalsContact O-CB 3.25Å; E632-E636 WeakPolarHBondContact O-CB 3.25Å; E632-E636 PolarHBondContact O-N 3.26Å
633Y98.1Very high96Very high15 Ų1552.4 Ų52.46%0.05927%0.271CS..Hα-helixtrans-62-36.7178.2-172.2-83.5000112.1A629 V630 M637 L684 L687 R688 G691 D692A629-Y633 WeakPolarHBondContact O-CB 3.46Å; A629-Y633 PolarHBondContact O-N 3.44Å; V630-Y633 PolarHBondContact O-N 2.78Å; Y633-M637 HydrophobicContact CD1-CB 4.2Å; Y633-M637 HydrophobicContact CE1-CB 4.02Å; Y633-M637 HydrophobicContact CE1-CE 4.2Å; Y633-M637 HydrophobicContact CE1-CG 4.2Å; Y633-M637 HydrophobicContact CE2-CE 4.16Å; Y633-M637 WeakPolarHBondContact O-CB 3.47Å; Y633-M637 PolarHBondContact O-N 3.39Å; Y633-M637 WeakPolarHBondContact OH-CE 3.43Å; Y633-L684 HydrophobicContact CD1-CD1 4.37Å; Y633-L684 HydrophobicContact CD2-CD1 4.06Å; Y633-L684 HydrophobicContact CG-CD1 3.8Å; Y633-L687 HydrophobicContact CD1-CB 3.92Å; Y633-L687 HydrophobicContact CD1-CD1 3.98Å; Y633-L687 HydrophobicContact CE1-CB 3.68Å; Y633-R688 HydrophobicContact CD2-CG 4.32Å; Y633-R688 HydrophobicContact CE2-CG 3.62Å; Y633-R688 WeakPolarHBondContact OH-CA 3.4Å; Y633-G691 WeakPolarHBondContact OH-CA 3.35Å; Y633-D692 PolarHBondContact OH-OD1 3.15Å; Y633-D692 VanDerWaalsContact OH-OD1 3.07Å
634V97.8Very high96Very high1 Ų154.8 Ų54.81%0.00629%0.292CS..Hα-helixtrans-61.6-51177.8165.20000110.7V630 E631 E632 R638 L661 T664 E665 L687V630-V634 HydrophobicContact CG1-CG2 4.38Å; V630-V634 VanDerWaalsContact O-CG2 3.29Å; V630-V634 WeakPolarHBondContact O-CG2 3.11Å; V630-V634 PolarHBondContact O-N 2.93Å; E631-V634 PolarHBondContact O-N 2.91Å; E632-V634 VanDerWaalsContact C-N 3.29Å; E632-V634 PolarHBondContact O-N 3.43Å; V634-R638 VanDerWaalsContact O-CB 3.29Å; V634-R638 WeakPolarHBondContact O-CB 3.46Å; V634-R638 PolarHBondContact O-N 3.24Å; V634-R638 VanDerWaalsContact O-N 3.11Å; V634-L661 HydrophobicContact CB-CD2 4.37Å; V634-L661 HydrophobicContact CG1-CB 4.44Å; V634-L661 HydrophobicContact CG2-CD2 4.13Å; V634-T664 HydrophobicContact CG2-CG2 4.1Å; V634-E665 HydrophobicContact CG1-CB 4.25Å; V634-L687 HydrophobicContact CG2-CD1 3.84Å
635Y96.9Very high96.2Very high96 Ų9653 Ų5338%0.37628%0.281SS..Hα-helixtrans-68.5-43.4179.5-67.6-54.3000112.8E631 E632 S639 E665 Y669E631-Y635 HydrophobicContact CG-CD2 4.13Å; E631-Y635 HydrophobicContact CG-CE2 3.65Å; E631-Y635 WeakPolarHBondContact O-CD2 3.06Å; E631-Y635 PolarHBondContact O-N 2.92Å; E631-Y635 VanDerWaalsContact O-N 3.13Å; E632-Y635 PolarHBondContact O-N 3.33Å; Y635-S639 WeakPolarHBondContact O-CB 3.47Å; Y635-S639 PolarHBondContact O-N 3.3Å; Y635-S639 VanDerWaalsContact O-N 3.11Å; Y635-E665 VanDerWaalsContact CE1-OE1 3.27Å; Y635-E665 WeakPolarHBondContact CE1-OE1 3.32Å; Y635-E665 PolarHBondContact OH-OE1 2.89Å; Y635-Y669 PolarHBondContact OH-OH 3.44Å
636E97Very high96.1Very high88 Ų8852.6 Ų52.641%0.41128%0.278SS..Hα-helixtrans-62.5-48.9179.2-168.7-163.9-176.500111.4E632 S639 K640E632-E636 VanDerWaalsContact O-CB 3.25Å; E632-E636 WeakPolarHBondContact O-CB 3.25Å; E632-E636 PolarHBondContact O-N 3.26Å; E636-S639 PolarHBondContact O-N 3.44Å; E636-K640 HydrophobicContact CG-CD 4.08Å; E636-K640 WeakPolarHBondContact O-CB 3.49Å; E636-K640 WeakPolarHBondContact O-CG 3.42Å; E636-K640 PolarHBondContact O-N 2.99Å; E636-K640 VanDerWaalsContact OE1-CE 3.26Å; E636-K640 WeakPolarHBondContact OE1-CE 3.27Å; E636-K640 IonicContact OE1-NZ 3.62Å; E636-K640 PolarHBondContact OE1-NZ 2.86Å
637M97.3Very high96Very high4 Ų454.7 Ų54.72%0.0229%0.292CS..Hα-helixtrans-67-41.2-178.5-1735562.500111.7Y633 S639 K640 L641 L645 L657 L661 V695Y633-M637 HydrophobicContact CD1-CB 4.2Å; Y633-M637 HydrophobicContact CE1-CB 4.02Å; Y633-M637 HydrophobicContact CE1-CE 4.2Å; Y633-M637 HydrophobicContact CE1-CG 4.2Å; Y633-M637 HydrophobicContact CE2-CE 4.16Å; Y633-M637 WeakPolarHBondContact O-CB 3.47Å; Y633-M637 PolarHBondContact O-N 3.39Å; Y633-M637 WeakPolarHBondContact OH-CE 3.43Å; M637-S639 PolarHBondContact O-N 2.92Å; M637-K640 PolarHBondContact O-N 3.36Å; M637-L641 HydrophobicContact CG-CD1 3.95Å; M637-L641 HydrophobicContact CG-CG 4.29Å; M637-L641 WeakPolarHBondContact O-CB 3.37Å; M637-L641 VanDerWaalsContact O-CG 3.28Å; M637-L641 WeakPolarHBondContact O-CG 3.49Å; M637-L641 PolarHBondContact O-N 2.91Å; M637-L641 HydrophobicContact SD-CD1 4.31Å; M637-L641 HydrophobicContact SD-CD2 4.47Å; M637-L641 HydrophobicContact SD-CG 4.06Å; M637-L645 HydrophobicContact CE-CD1 4.43Å; M637-L645 HydrophobicContact SD-CD1 3.8Å; M637-L657 HydrophobicContact CG-CD2 4.22Å; M637-L657 HydrophobicContact SD-CD2 4.43Å; M637-L661 HydrophobicContact CB-CD1 4.23Å; M637-L661 HydrophobicContact CB-CD2 4.09Å; M637-L661 HydrophobicContact CG-CD1 3.99Å; M637-L661 HydrophobicContact CG-CD2 4.31Å; M637-V695 HydrophobicContact CE-CG2 3.78Å
638R96.5Very high96Very high40 Ų4053.8 Ų53.815%0.15129%0.288CS..Hα-helixtrans-58.5-48.5175.7-175.3-176-71133.9-6.3111.3V634 L641 Q642 L658 L661 D662 E665V634-R638 VanDerWaalsContact O-CB 3.29Å; V634-R638 WeakPolarHBondContact O-CB 3.46Å; V634-R638 PolarHBondContact O-N 3.24Å; V634-R638 VanDerWaalsContact O-N 3.11Å; R638-L641 PolarHBondContact O-N 3.22Å; R638-Q642 WeakPolarHBondContact O-CG 3.36Å; R638-Q642 PolarHBondContact O-N 3.44Å; R638-L658 HydrophobicContact CG-CD2 4.06Å; R638-L661 HydrophobicContact CB-CD1 4.32Å; R638-D662 IonicContact CZ-OD1 2.64Å; R638-D662 IonicContact NE-OD1 3.99Å; R638-D662 PolarHBondContact NE-OD1 2.86Å; R638-D662 IonicContact NH2-OD1 2.7Å; R638-D662 PolarHBondContact NH2-OD1 3.12Å; R638-E665 IonicContact CZ-OE2 2.72Å; R638-E665 IonicContact NH1-OE2 3.82Å; R638-E665 PolarHBondContact NH1-OE2 3.47Å; R638-E665 IonicContact NH2-OE2 2.69Å; R638-E665 PolarHBondContact NH2-OE2 3.19Å
639S96.3Very high95.9Very high81 Ų8150.7 Ų50.757%0.56627%0.272SS*.Hα-helixtrans-60.2-46.7176-179.10000111.6Y635 E636 M637 L641 Q642 G643Y635-S639 WeakPolarHBondContact O-CB 3.47Å; Y635-S639 PolarHBondContact O-N 3.3Å; Y635-S639 VanDerWaalsContact O-N 3.11Å; E636-S639 PolarHBondContact O-N 3.44Å; M637-S639 PolarHBondContact O-N 2.92Å; S639-L641 PolarHBondContact O-N 3.48Å; S639-Q642 PolarHBondContact O-N 2.97Å; S639-G643 PolarHBondContact O-N 3.05Å
640K96.4Very high95.7Very high74 Ų7451.1 Ų51.132%0.32227%0.273SS..Hα-helixtrans-62.7-40.5180-79-179.3172.2177.20113.3E636 M637 Q642 G643 P644 L645E636-K640 HydrophobicContact CG-CD 4.08Å; E636-K640 WeakPolarHBondContact O-CB 3.49Å; E636-K640 WeakPolarHBondContact O-CG 3.42Å; E636-K640 PolarHBondContact O-N 2.99Å; E636-K640 VanDerWaalsContact OE1-CE 3.26Å; E636-K640 WeakPolarHBondContact OE1-CE 3.27Å; E636-K640 IonicContact OE1-NZ 3.62Å; E636-K640 PolarHBondContact OE1-NZ 2.86Å; M637-K640 PolarHBondContact O-N 3.36Å; K640-Q642 VanDerWaalsContact C-N 3.32Å; K640-Q642 PolarHBondContact O-N 3.03Å; K640-G643 CarbonylContact O-C 3.26Å; K640-G643 VanDerWaalsContact O-C 3.26Å; K640-G643 PolarHBondContact O-N 3.45Å; K640-P644 HydrophobicContact CG-CG 4.39Å; K640-P644 WeakPolarHBondContact O-CD 3.31Å; K640-L645 HydrophobicContact CB-CD1 3.64Å; K640-L645 HydrophobicContact CB-CG 3.9Å; K640-L645 HydrophobicContact CD-CD1 4.37Å; K640-L645 WeakPolarHBondContact O-CB 3.38Å; K640-L645 PolarHBondContact O-N 3.28Å
641L94.8Very high95.4Very high1 Ų155.9 Ų55.91%0.00530%0.303CS..Hα-helixtrans-65.8-31177.1-72.4167.5000113.6M637 R638 S639 L645 N646 T649 L657 L658 L661 I694M637-L641 HydrophobicContact CG-CD1 3.95Å; M637-L641 HydrophobicContact CG-CG 4.29Å; M637-L641 WeakPolarHBondContact O-CB 3.37Å; M637-L641 VanDerWaalsContact O-CG 3.28Å; M637-L641 WeakPolarHBondContact O-CG 3.49Å; M637-L641 PolarHBondContact O-N 2.91Å; M637-L641 HydrophobicContact SD-CD1 4.31Å; M637-L641 HydrophobicContact SD-CD2 4.47Å; M637-L641 HydrophobicContact SD-CG 4.06Å; R638-L641 PolarHBondContact O-N 3.22Å; S639-L641 PolarHBondContact O-N 3.48Å; L641-L645 HydrophobicContact CD2-CB 4.41Å; L641-N646 WeakPolarHBondContact O-CB 3.5Å; L641-N646 PolarHBondContact O-ND2 2.81Å; L641-N646 VanDerWaalsContact O-ND2 3.09Å; L641-T649 HydrophobicContact CD2-CG2 4.18Å; L641-L657 HydrophobicContact CD1-CB 4.29Å; L641-L657 HydrophobicContact CD1-CD2 3.75Å; L641-L657 HydrophobicContact CD1-CG 3.8Å; L641-L657 HydrophobicContact CD2-CD2 4.27Å; L641-L658 HydrophobicContact CB-CD2 4.46Å; L641-L658 HydrophobicContact CD1-CD2 4.14Å; L641-L658 HydrophobicContact CD1-CG 4.3Å; L641-L661 HydrophobicContact CD1-CD1 3.81Å; L641-I694 HydrophobicContact CD2-CD1 4.01Å; L641-I694 HydrophobicContact CD2-CG2 4.49Å
642Q90.3Very high95.2Very high138 Ų13858.7 Ų58.765%0.64532%0.324SS*.Hα-helixtrans-82.5-22.1175.5-66.1178.81.900112.5R638 S639 K640R638-Q642 WeakPolarHBondContact O-CG 3.36Å; R638-Q642 PolarHBondContact O-N 3.44Å; S639-Q642 PolarHBondContact O-N 2.97Å; K640-Q642 VanDerWaalsContact C-N 3.32Å; K640-Q642 PolarHBondContact O-N 3.03Å
643G92.8Very high95Very high38 Ų3854.7 Ų54.739%0.39231%0.306SS..THydrogen-bonded Turntrans-110.1-114.1174.800000113.3S639 K640 L645 N646S639-G643 PolarHBondContact O-N 3.05Å; K640-G643 CarbonylContact O-C 3.26Å; K640-G643 VanDerWaalsContact O-C 3.26Å; K640-G643 PolarHBondContact O-N 3.45Å; G643-L645 VanDerWaalsContact C-N 3.3Å; G643-L645 PolarHBondContact O-N 3.41Å; G643-N646 VanDerWaalsContact O-CB 3.3Å; G643-N646 WeakPolarHBondContact O-CB 3.29Å; G643-N646 PolarHBondContact O-N 3.15Å; G643-N646 VanDerWaalsContact O-N 3.14Å
644P94.9Very high94.8Very high94 Ų9454.6 Ų54.661%0.6131%0.307SS*.THydrogen-bonded Turntrans-64.6-22.1-164.826.1-37000115.9K640 F648K640-P644 HydrophobicContact CG-CG 4.39Å; K640-P644 WeakPolarHBondContact O-CD 3.31Å; P644-F648 WeakPolarHBondContact O-CE2 3.4Å
645L95.5Very high94.6Very high11 Ų1160.9 Ų60.96%0.05834%0.336CS..THydrogen-bonded Turntrans-87.5-10.7178.6-62.3-178.5000113.7M637 K640 L641 G643 P647 F648 I694 V695 A698M637-L645 HydrophobicContact CE-CD1 4.43Å; M637-L645 HydrophobicContact SD-CD1 3.8Å; K640-L645 HydrophobicContact CB-CD1 3.64Å; K640-L645 HydrophobicContact CB-CG 3.9Å; K640-L645 HydrophobicContact CD-CD1 4.37Å; K640-L645 WeakPolarHBondContact O-CB 3.38Å; K640-L645 PolarHBondContact O-N 3.28Å; L641-L645 HydrophobicContact CD2-CB 4.41Å; G643-L645 VanDerWaalsContact C-N 3.3Å; G643-L645 PolarHBondContact O-N 3.41Å; L645-P647 VanDerWaalsContact C-CD 3.44Å; L645-P647 VanDerWaalsContact C-N 3.35Å; L645-F648 PolarHBondContact O-N 3.42Å; L645-I694 HydrophobicContact CB-CG2 4.1Å; L645-I694 HydrophobicContact CD1-CG2 4.4Å; L645-V695 HydrophobicContact CD1-CG2 3.78Å; L645-V695 HydrophobicContact CD2-CG2 4.49Å; L645-A698 HydrophobicContact CD2-CB 3.45Å; L645-A698 VanDerWaalsContact CD2-CB 3.45Å
646N94Very high94.5Very high89 Ų8959.6 Ų59.648%0.47634%0.341SS..G310 helixtrans-52.3-41.4-176.2-163.5-97.5000114.4L641 G643 F648 T649L641-N646 WeakPolarHBondContact O-CB 3.5Å; L641-N646 PolarHBondContact O-ND2 2.81Å; L641-N646 VanDerWaalsContact O-ND2 3.09Å; G643-N646 VanDerWaalsContact O-CB 3.3Å; G643-N646 WeakPolarHBondContact O-CB 3.29Å; G643-N646 PolarHBondContact O-N 3.15Å; G643-N646 VanDerWaalsContact O-N 3.14Å; N646-F648 VanDerWaalsContact C-N 3.25Å; N646-F648 PolarHBondContact O-N 3.2Å; N646-T649 WeakPolarHBondContact O-CG2 3.49Å
647P94.1Very high94.5Very high60 Ų6055.5 Ų55.539%0.3932%0.322SS..G310 helixtrans-70.5-16.2178.6-18.733.7000114.8L645 Q766L645-P647 VanDerWaalsContact C-CD 3.44Å; L645-P647 VanDerWaalsContact C-N 3.35Å; P647-Q766 VanDerWaalsContact O-CB 3.3Å; P647-Q766 WeakPolarHBondContact O-CB 3.42Å
648F96Very high94.5Very high11 Ų1157.2 Ų57.25%0.04833%0.331CS..G310 helixtrans-101.8-0.1-172-53.9-70.5000113.7P644 L645 N646 I694 R697 A698 H701 Q766P644-F648 WeakPolarHBondContact O-CE2 3.4Å; L645-F648 PolarHBondContact O-N 3.42Å; N646-F648 VanDerWaalsContact C-N 3.25Å; N646-F648 PolarHBondContact O-N 3.2Å; F648-I694 HydrophobicContact CB-CG2 4.17Å; F648-R697 HydrophobicContact CB-CB 4.37Å; F648-R697 PolarHBondContact O-NH1 3.08Å; F648-A698 HydrophobicContact CB-CB 4.22Å; F648-A698 HydrophobicContact CD1-CB 4.28Å; F648-A698 HydrophobicContact CD2-CB 3.37Å; F648-A698 HydrophobicContact CE2-CB 3.73Å; F648-A698 HydrophobicContact CG-CB 3.67Å; F648-A698 HydrophobicContact CZ-CB 4.35Å; F648-H701 HydrophobicContact CD1-CB 4.19Å; F648-H701 HydrophobicContact CE1-CB 3.42Å; F648-H701 VanDerWaalsContact CE1-CB 3.42Å; F648-H701 AromaticContact CE1-CD2 3.62Å; F648-H701 AromaticContact CE1-CG 3.53Å; F648-H701 HydrophobicContact CZ-CB 4.11Å; F648-H701 AromaticContact CZ-CD2 3.81Å; F648-Q766 HydrophobicContact CD1-CB 3.84Å; F648-Q766 HydrophobicContact CD1-CG 4.32Å; F648-Q766 HydrophobicContact CE1-CB 4.07Å; F648-Q766 HydrophobicContact CE1-CG 4.04Å
649T94.8Very high94.5Very high10 Ų1061 Ų616%0.06135%0.35CS..SBendtrans-116.6142.1176.9-176.70000110.7L641 N646 S654 T767L641-T649 HydrophobicContact CD2-CG2 4.18Å; N646-T649 WeakPolarHBondContact O-CG2 3.49Å; T649-S654 PolarHBondContact OG1-N 3.42Å; T649-S654 VanDerWaalsContact OG1-N 3.13Å; T649-T767 VanDerWaalsContact O-CG2 3.28Å; T649-T767 WeakPolarHBondContact O-CG2 3.48Å
650S93.3Very high94.5Very high39 Ų3958.3 Ų58.327%0.27333%0.329SS..  trans-76.6155.1169.8700000110.7T652 E653 S654S650-T652 VanDerWaalsContact C-N 3.28Å; S650-T652 PolarHBondContact O-N 3.43Å; S650-E653 PolarHBondContact N-OE2 3.38Å; S650-E653 PolarHBondContact O-N 3.5Å; S650-E653 WeakPolarHBondContact OG-CB 3.49Å; S650-E653 PolarHBondContact OG-N 3.17Å; S650-S654 WeakPolarHBondContact O-CB 3.42Å; S650-S654 PolarHBondContact O-N 2.93Å
651P91.3Very high94.6Very high99 Ų9954.8 Ų54.864%0.64331%0.314SS*.Hα-helixtrans-51.8-45.2179.3-29.236.2000113.2S654 E655P651-S654 PolarHBondContact O-N 2.9Å; P651-E655 WeakPolarHBondContact O-CB 3.49Å; P651-E655 VanDerWaalsContact O-CG 3.3Å; P651-E655 WeakPolarHBondContact O-CG 3.42Å; P651-E655 PolarHBondContact O-N 3.24Å
652T93.1Very high94.7Very high107 Ų10758.4 Ų58.466%0.65633%0.333SS*.Hα-helixtrans-67.5-36.3178-48.10000113.5S650 S656S650-T652 VanDerWaalsContact C-N 3.28Å; S650-T652 PolarHBondContact O-N 3.43Å; T652-S656 WeakPolarHBondContact O-CB 3.27Å; T652-S656 PolarHBondContact O-N 3.21Å
653E93.7Very high95Very high53 Ų5356.5 Ų56.525%0.24833%0.326CS..Hα-helixtrans-70.4-39.3176.3-174.9178.6-137.400110.8S650 L657 I694 R697S650-E653 PolarHBondContact N-OE2 3.38Å; S650-E653 PolarHBondContact O-N 3.5Å; S650-E653 WeakPolarHBondContact OG-CB 3.49Å; S650-E653 PolarHBondContact OG-N 3.17Å; E653-L657 WeakPolarHBondContact O-CB 3.47Å; E653-L657 PolarHBondContact O-N 3.36Å; E653-I694 HydrophobicContact CG-CD1 4.12Å; E653-I694 HydrophobicContact CG-CG1 4.49Å; E653-R697 VanDerWaalsContact CD-NH1 3.27Å; E653-R697 IonicContact OE1-CZ 3.53Å; E653-R697 IonicContact OE1-NH1 2.64Å; E653-R697 PolarHBondContact OE1-NH1 3.41Å; E653-R697 IonicContact OE1-NH2 3.35Å; E653-R697 PolarHBondContact OE1-NH2 2.86Å; E653-R697 IonicContact OE2-CZ 3.61Å; E653-R697 IonicContact OE2-NH1 2.76Å; E653-R697 PolarHBondContact OE2-NH1 3.35Å; E653-R697 IonicContact OE2-NH2 2.67Å
654S93.5Very high95.2Very high13 Ų1354.7 Ų54.79%0.09131%0.307CS..Hα-helixtrans-64.7-51.7174.6-162.10000111.8T649 S650 P651 S656 L657 L658T649-S654 PolarHBondContact OG1-N 3.42Å; T649-S654 VanDerWaalsContact OG1-N 3.13Å; S650-S654 WeakPolarHBondContact O-CB 3.42Å; S650-S654 PolarHBondContact O-N 2.93Å; P651-S654 PolarHBondContact O-N 2.9Å; S654-S656 PolarHBondContact O-N 2.94Å; S654-L657 PolarHBondContact O-N 3.29Å; S654-L658 WeakPolarHBondContact O-CB 3.36Å; S654-L658 VanDerWaalsContact O-CG 3.29Å; S654-L658 WeakPolarHBondContact O-CG 3.26Å; S654-L658 PolarHBondContact O-N 3.42Å
655E94.3Very high95.3Very high132 Ų13252.5 Ų52.562%0.61729%0.289SS*.Hα-helixtrans-58.2-45.2175.8-75169.4-171.200111.7P651 L657 H659P651-E655 WeakPolarHBondContact O-CB 3.49Å; P651-E655 VanDerWaalsContact O-CG 3.3Å; P651-E655 WeakPolarHBondContact O-CG 3.42Å; P651-E655 PolarHBondContact O-N 3.24Å; E655-L657 VanDerWaalsContact C-N 3.35Å; E655-L657 PolarHBondContact O-N 3.04Å; E655-H659 WeakPolarHBondContact O-CB 3.27Å; E655-H659 PolarHBondContact O-N 3.37Å
656S95.4Very high95.4Very high69 Ų6959.3 Ų59.348%0.48332%0.32SS..Hα-helixtrans-64.8-36178.3-178.50000113T652 S654 L660T652-S656 WeakPolarHBondContact O-CB 3.27Å; T652-S656 PolarHBondContact O-N 3.21Å; S654-S656 PolarHBondContact O-N 2.94Å; S656-L660 PolarHBondContact O-N 3.44Å
657L96.3Very high95.5Very high3 Ų357.8 Ų57.82%0.01631%0.308CS..Hα-helixtrans-78.2-42.2178.8-177.851.1000111.4M637 L641 E653 S654 E655 H659 L660 L661 K690 I694M637-L657 HydrophobicContact CG-CD2 4.22Å; M637-L657 HydrophobicContact SD-CD2 4.43Å; L641-L657 HydrophobicContact CD1-CB 4.29Å; L641-L657 HydrophobicContact CD1-CD2 3.75Å; L641-L657 HydrophobicContact CD1-CG 3.8Å; L641-L657 HydrophobicContact CD2-CD2 4.27Å; E653-L657 WeakPolarHBondContact O-CB 3.47Å; E653-L657 PolarHBondContact O-N 3.36Å; S654-L657 PolarHBondContact O-N 3.29Å; E655-L657 VanDerWaalsContact C-N 3.35Å; E655-L657 PolarHBondContact O-N 3.04Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 2.95Å; L657-L660 PolarHBondContact O-N 3.07Å; L657-L660 VanDerWaalsContact O-N 3.14Å; L657-L661 HydrophobicContact CD1-CD1 4.39Å; L657-L661 HydrophobicContact CD1-CG 4.2Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 HydrophobicContact CG-CG 4.43Å; L657-L661 WeakPolarHBondContact O-CG 3.22Å; L657-L661 PolarHBondContact O-N 3.12Å; L657-K690 HydrophobicContact CD1-CB 3.77Å; L657-K690 HydrophobicContact CD2-CB 4.45Å; L657-I694 HydrophobicContact CD2-CD1 3.67Å
658L96.4Very high95.6Very high40 Ų4055 Ų5521%0.20929%0.29CS..Hα-helixtrans-56.7-46.3173-72.9169.1000111.1R638 L641 S654 L660 L661 D662R638-L658 HydrophobicContact CG-CD2 4.06Å; L641-L658 HydrophobicContact CB-CD2 4.46Å; L641-L658 HydrophobicContact CD1-CD2 4.14Å; L641-L658 HydrophobicContact CD1-CG 4.3Å; S654-L658 WeakPolarHBondContact O-CB 3.36Å; S654-L658 VanDerWaalsContact O-CG 3.29Å; S654-L658 WeakPolarHBondContact O-CG 3.26Å; S654-L658 PolarHBondContact O-N 3.42Å; L658-L660 VanDerWaalsContact C-N 3.34Å; L658-L660 PolarHBondContact O-N 3.31Å; L658-L661 HydrophobicContact CD2-CD1 4.45Å; L658-L661 WeakPolarHBondContact O-CB 3.43Å; L658-L661 PolarHBondContact O-N 2.92Å; L658-D662 PolarHBondContact O-N 2.89Å
659H96.4Very high95.6Very high119 Ų11960.5 Ų60.555%0.55131%0.311SS*.Hα-helixtrans-60.7-40.7175.6-175.744.4000112.8E655 L657 D662 M663E655-H659 WeakPolarHBondContact O-CB 3.27Å; E655-H659 PolarHBondContact O-N 3.37Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 2.95Å; H659-D662 PolarHBondContact O-N 3.12Å; H659-M663 WeakPolarHBondContact O-CB 3.28Å; H659-M663 WeakPolarHBondContact O-CG 3.35Å; H659-M663 PolarHBondContact O-N 3.32Å
660L97Very high95.5Very high24 Ų2461.9 Ų61.913%0.12633%0.328CS..Hα-helixtrans-67-35.9176.1-178.862.7000112.5S656 L657 L658 T664 E686 L687 K690S656-L660 PolarHBondContact O-N 3.44Å; L657-L660 PolarHBondContact O-N 3.07Å; L657-L660 VanDerWaalsContact O-N 3.14Å; L658-L660 VanDerWaalsContact C-N 3.34Å; L658-L660 PolarHBondContact O-N 3.31Å; L660-T664 WeakPolarHBondContact O-CB 3.28Å; L660-T664 PolarHBondContact O-N 3.48Å; L660-T664 PolarHBondContact O-OG1 3.01Å; L660-E686 HydrophobicContact CD2-CG 4.43Å; L660-L687 HydrophobicContact CD2-CD2 4.01Å; L660-L687 HydrophobicContact CG-CD2 3.85Å; L660-K690 HydrophobicContact CD2-CG 4.16Å
661L97.8Very high95.5Very high0 Ų067.1 Ų67.10%035%0.352CS..Hα-helixtrans-64.9-47.1174.6-67163.4000110.3V634 M637 R638 L641 L657 L658 T664 E665 L687V634-L661 HydrophobicContact CB-CD2 4.37Å; V634-L661 HydrophobicContact CG1-CB 4.44Å; V634-L661 HydrophobicContact CG2-CD2 4.13Å; M637-L661 HydrophobicContact CB-CD1 4.23Å; M637-L661 HydrophobicContact CB-CD2 4.09Å; M637-L661 HydrophobicContact CG-CD1 3.99Å; M637-L661 HydrophobicContact CG-CD2 4.31Å; R638-L661 HydrophobicContact CB-CD1 4.32Å; L641-L661 HydrophobicContact CD1-CD1 3.81Å; L657-L661 HydrophobicContact CD1-CD1 4.39Å; L657-L661 HydrophobicContact CD1-CG 4.2Å; L657-L661 HydrophobicContact CG-CD1 4.1Å; L657-L661 HydrophobicContact CG-CG 4.43Å; L657-L661 WeakPolarHBondContact O-CG 3.22Å; L657-L661 PolarHBondContact O-N 3.12Å; L658-L661 HydrophobicContact CD2-CD1 4.45Å; L658-L661 WeakPolarHBondContact O-CB 3.43Å; L658-L661 PolarHBondContact O-N 2.92Å; L661-T664 PolarHBondContact O-N 3.36Å; L661-T664 VanDerWaalsContact O-N 3.08Å; L661-E665 PolarHBondContact O-N 2.99Å; L661-L687 HydrophobicContact CD2-CD2 3.96Å
662D96.9Very high95.5Very high77 Ų7762.4 Ų62.441%0.41232%0.322SS..Hα-helixtrans-62.2-46.3177.9-61.9-15.8000111.8R638 L658 H659 T664 E665 E666R638-D662 IonicContact CZ-OD1 2.64Å; R638-D662 IonicContact NE-OD1 3.99Å; R638-D662 PolarHBondContact NE-OD1 2.86Å; R638-D662 IonicContact NH2-OD1 2.7Å; R638-D662 PolarHBondContact NH2-OD1 3.12Å; L658-D662 PolarHBondContact O-N 2.89Å; H659-D662 PolarHBondContact O-N 3.12Å; D662-T664 PolarHBondContact O-N 3.48Å; D662-E665 PolarHBondContact O-N 3.44Å; D662-E666 PolarHBondContact O-N 3.48Å
663M97.2Very high95.4Very high99 Ų9962.6 Ų62.649%0.48832%0.316SS..Hα-helixtrans-61-30.7172.9-74.1-172.27600112.9H659 W667H659-M663 WeakPolarHBondContact O-CB 3.28Å; H659-M663 WeakPolarHBondContact O-CG 3.35Å; H659-M663 PolarHBondContact O-N 3.32Å; M663-W667 VanDerWaalsContact O-CB 3.23Å; M663-W667 WeakPolarHBondContact O-CB 3.33Å; M663-W667 PolarHBondContact O-N 3.28Å
664T97.4Very high95.1Very high0 Ų064.8 Ų64.80%034%0.336CS..Hα-helixtrans-78.4-33.5179-55.30000111.8V630 V634 L660 L661 D662 W667 L668 K683 L687V630-T664 HydrophobicContact CG1-CG2 3.66Å; V634-T664 HydrophobicContact CG2-CG2 4.1Å; L660-T664 WeakPolarHBondContact O-CB 3.28Å; L660-T664 PolarHBondContact O-N 3.48Å; L660-T664 PolarHBondContact O-OG1 3.01Å; L661-T664 PolarHBondContact O-N 3.36Å; L661-T664 VanDerWaalsContact O-N 3.08Å; D662-T664 PolarHBondContact O-N 3.48Å; T664-W667 HydrophobicContact CG2-CE3 4.29Å; T664-W667 PolarHBondContact O-N 3.4Å; T664-L668 WeakPolarHBondContact O-CB 3.4Å; T664-L668 VanDerWaalsContact O-CG 3.31Å; T664-L668 WeakPolarHBondContact O-CG 3.43Å; T664-L668 PolarHBondContact O-N 3.44Å; T664-K683 HydrophobicContact CG2-CD 4.25Å; T664-K683 HydrophobicContact CG2-CG 3.69Å; T664-K683 WeakPolarHBondContact OG1-CE 3.3Å; T664-L687 HydrophobicContact CG2-CD1 4.07Å
665E97Very high95.1Very high47 Ų4767.1 Ų67.122%0.2235%0.348CS..Hα-helixtrans-65.7-47.8171.1-171.3169.3-171.800111.5V634 Y635 R638 L661 D662 W667 L668 Y669V634-E665 HydrophobicContact CG1-CB 4.25Å; Y635-E665 VanDerWaalsContact CE1-OE1 3.27Å; Y635-E665 WeakPolarHBondContact CE1-OE1 3.32Å; Y635-E665 PolarHBondContact OH-OE1 2.89Å; R638-E665 IonicContact CZ-OE2 2.72Å; R638-E665 IonicContact NH1-OE2 3.82Å; R638-E665 PolarHBondContact NH1-OE2 3.47Å; R638-E665 IonicContact NH2-OE2 2.69Å; R638-E665 PolarHBondContact NH2-OE2 3.19Å; L661-E665 PolarHBondContact O-N 2.99Å; D662-E665 PolarHBondContact O-N 3.44Å; E665-W667 VanDerWaalsContact C-N 3.28Å; E665-W667 PolarHBondContact O-N 3.2Å; E665-L668 PolarHBondContact O-N 2.95Å; E665-L668 VanDerWaalsContact O-N 3.14Å; E665-Y669 HydrophobicContact CG-CD2 4.08Å; E665-Y669 HydrophobicContact CG-CE2 3.8Å; E665-Y669 VanDerWaalsContact O-CD2 3.3Å; E665-Y669 WeakPolarHBondContact O-CD2 3.24Å; E665-Y669 PolarHBondContact O-N 3.05Å
666E96.9Very high95.1Very high154 Ų15471.3 Ų71.372%0.7236%0.358SS*.Hα-helixtrans-58.6-41.3174.5-174.3174.9-159.600111.3D662 G670D662-E666 PolarHBondContact O-N 3.48Å; E666-G670 PolarHBondContact O-N 3.15Å
667W97.2Very high95.1Very high58 Ų5873 Ų7322%0.2235%0.354CS..Hα-helixtrans-63.4-43.2174175.683.3000112.9M663 T664 E665 Y669 G670 G672 L675 Y680 K683M663-W667 VanDerWaalsContact O-CB 3.23Å; M663-W667 WeakPolarHBondContact O-CB 3.33Å; M663-W667 PolarHBondContact O-N 3.28Å; T664-W667 HydrophobicContact CG2-CE3 4.29Å; T664-W667 PolarHBondContact O-N 3.4Å; E665-W667 VanDerWaalsContact C-N 3.28Å; E665-W667 PolarHBondContact O-N 3.2Å; W667-Y669 PolarHBondContact O-N 3.05Å; W667-G670 CarbonylContact O-C 3.59Å; W667-G670 PolarHBondContact O-N 3.23Å; W667-G670 VanDerWaalsContact O-N 3.1Å; W667-G672 WeakPolarHBondContact O-CA 3.42Å; W667-G672 PolarHBondContact O-N 3.36Å; W667-L675 HydrophobicContact CH2-CD1 4.29Å; W667-L675 HydrophobicContact CZ2-CD1 3.45Å; W667-L675 VanDerWaalsContact CZ2-CD1 3.45Å; W667-Y680 AromaticContact CH2-CD1 3.76Å; W667-Y680 HydrophobicContact CH2-CD1 3.76Å; W667-Y680 AromaticContact CH2-CE1 3.94Å; W667-Y680 HydrophobicContact CH2-CE1 3.94Å; W667-Y680 AromaticContact CZ3-CD1 3.89Å; W667-Y680 HydrophobicContact CZ3-CD1 3.89Å; W667-Y680 HydrophobicContact CZ3-CE1 4.07Å; W667-K683 HydrophobicContact CE3-CG 4.24Å; W667-K683 HydrophobicContact CH2-CB 4.07Å; W667-K683 HydrophobicContact CH2-CG 4.18Å; W667-K683 HydrophobicContact CZ3-CB 4.14Å; W667-K683 HydrophobicContact CZ3-CD 4.49Å; W667-K683 HydrophobicContact CZ3-CG 3.86Å
668L96.2Very high95.1Very high2 Ų277.9 Ų77.91%0.0138%0.376CS..Hα-helixtrans-60.2-31.6-179.1-83.5172.4000113.7K627 V630 E631 T664 E665 E673 Y680K627-L668 HydrophobicContact CG-CD2 3.81Å; K627-L668 PolarHBondContact NZ-O 2.97Å; V630-L668 HydrophobicContact CB-CD1 4.42Å; V630-L668 HydrophobicContact CB-CD2 4.36Å; V630-L668 HydrophobicContact CG1-CD1 4Å; V630-L668 HydrophobicContact CG1-CD2 4.29Å; V630-L668 HydrophobicContact CG1-CG 4.37Å; E631-L668 HydrophobicContact CB-CD1 3.99Å; T664-L668 WeakPolarHBondContact O-CB 3.4Å; T664-L668 VanDerWaalsContact O-CG 3.31Å; T664-L668 WeakPolarHBondContact O-CG 3.43Å; T664-L668 PolarHBondContact O-N 3.44Å; E665-L668 PolarHBondContact O-N 2.95Å; E665-L668 VanDerWaalsContact O-N 3.14Å; L668-E673 WeakPolarHBondContact O-CA 3.19Å; L668-Y680 HydrophobicContact CD2-CD1 4.32Å; L668-Y680 HydrophobicContact CD2-CE1 4.21Å
669Y94.7Very high95.1Very high125 Ų12577.3 Ų77.349%0.4938%0.378SS..THydrogen-bonded Turntrans-100.80.8177.6-58.5-60.3000113.9E631 Y635 E665 W667E631-Y669 PolarHBondContact OE1-OH 3.49Å; Y635-Y669 PolarHBondContact OH-OH 3.44Å; E665-Y669 HydrophobicContact CG-CD2 4.08Å; E665-Y669 HydrophobicContact CG-CE2 3.8Å; E665-Y669 VanDerWaalsContact O-CD2 3.3Å; E665-Y669 WeakPolarHBondContact O-CD2 3.24Å; E665-Y669 PolarHBondContact O-N 3.05Å; W667-Y669 PolarHBondContact O-N 3.05Å
670G94.3Very high95.2Very high40 Ų4071.7 Ų71.741%0.41235%0.351SS..THydrogen-bonded Turntrans-117-122.517300000111.7E666 W667 G672 E673E666-G670 PolarHBondContact O-N 3.15Å; W667-G670 CarbonylContact O-C 3.59Å; W667-G670 PolarHBondContact O-N 3.23Å; W667-G670 VanDerWaalsContact O-N 3.1Å; G670-G672 PolarHBondContact O-N 2.82Å; G670-E673 WeakPolarHBondContact O-CB 3.47Å; G670-E673 PolarHBondContact O-N 2.88Å
671D92.6Very high95.2Very high148 Ų14873.1 Ų73.179%0.79136%0.359SS*.THydrogen-bonded Turntrans-55.1-24.1-176.7-67.3-20.3000114.5L675D671-L675 WeakPolarHBondContact O-CG 3.47Å
672G91.5Very high95.2Very high0 Ų077.3 Ų77.30%038%0.381CS..THydrogen-bonded Turntrans-82.7-7.7178.700000115.2W667 G670 S674 Y680W667-G672 WeakPolarHBondContact O-CA 3.42Å; W667-G672 PolarHBondContact O-N 3.36Å; G670-G672 PolarHBondContact O-N 2.82Å; G672-S674 VanDerWaalsContact C-N 3.34Å; G672-S674 PolarHBondContact O-N 3.42Å; G672-Y680 VanDerWaalsContact O-CE1 3.24Å; G672-Y680 WeakPolarHBondContact O-CE1 3.4Å; G672-Y680 PolarHBondContact O-OH 2.65Å
673E90.7Very high95.2Very high112 Ų11275.3 Ų75.352%0.52337%0.369SS..THydrogen-bonded Turntrans-59-43.1-167.9-170.2-170.2-163.400113.3K627 L668 G670 Y680K627-E673 PolarHBondContact NZ-O 3.1Å; L668-E673 WeakPolarHBondContact O-CA 3.19Å; G670-E673 WeakPolarHBondContact O-CB 3.47Å; G670-E673 PolarHBondContact O-N 2.88Å; E673-Y680 PolarHBondContact O-OH 3.12Å; E673-Y680 VanDerWaalsContact O-OH 3.08Å
674S88.1Confident95.3Very high98 Ų9871.7 Ų71.769%0.68535%0.351SS*.THydrogen-bonded Turntrans-124.537-168.6-670000113.5G672G672-S674 VanDerWaalsContact C-N 3.34Å; G672-S674 PolarHBondContact O-N 3.42Å
675L93.4Very high95.3Very high63 Ų6374.5 Ų74.533%0.3337%0.374SS..  trans-86.5164.8178.9-64.8-178000113.4R623 W667 D671 A679 Y680R623-L675 VanDerWaalsContact CD-O 3.29Å; R623-L675 WeakPolarHBondContact CD-O 3.4Å; R623-L675 PolarHBondContact NH1-O 2.89Å; R623-L675 VanDerWaalsContact NH1-O 3.12Å; W667-L675 HydrophobicContact CH2-CD1 4.29Å; W667-L675 HydrophobicContact CZ2-CD1 3.45Å; W667-L675 VanDerWaalsContact CZ2-CD1 3.45Å; D671-L675 WeakPolarHBondContact O-CG 3.47Å; L675-A679 HydrophobicContact CB-CB 3.99Å; L675-A679 HydrophobicContact CD1-CB 3.99Å; L675-Y680 PolarHBondContact N-OH 2.76Å; L675-Y680 VanDerWaalsContact N-OH 3.11Å; L675-Y680 VanDerWaalsContact O-CE2 3.3Å; L675-Y680 WeakPolarHBondContact O-CE2 3.5Å
676R93.6Very high95.3Very high220 Ų22076.2 Ų76.283%0.8338%0.383SS*.  trans-68.2149.5175-65.8-177.5179.4176.70.5111.1Q678 A679R676-Q678 PolarHBondContact O-N 3.34Å; R676-A679 WeakPolarHBondContact O-CB 3.2Å; R676-A679 PolarHBondContact O-N 2.94Å
677R94.6Very high95.4Very high105 Ų10568.9 Ų68.940%0.39635%0.348SS..Hα-helixtrans-42.5-43.3-178.5-178176.8174.6-104.1-3.2114.6R623 S626 A679 Y680 I681R623-R677 HydrophobicContact CB-CB 4.22Å; R623-R677 HydrophobicContact CG-CB 4.28Å; S626-R677 WeakPolarHBondContact OG-CG 3.44Å; S626-R677 PolarHBondContact OG-NE 2.87Å; R677-A679 VanDerWaalsContact C-N 3.29Å; R677-A679 PolarHBondContact O-N 3.18Å; R677-Y680 PolarHBondContact O-N 2.98Å; R677-I681 HydrophobicContact CG-CD1 3.99Å; R677-I681 PolarHBondContact O-N 3.49Å
678Q96.7Very high95.4Very high104 Ų10471.7 Ų71.749%0.48636%0.359SS..Hα-helixtrans-60-36.4-177.8-167.560.843.500112.9R676 Y680 I681 D682R676-Q678 PolarHBondContact O-N 3.34Å; Q678-Y680 VanDerWaalsContact C-N 3.31Å; Q678-Y680 PolarHBondContact O-N 3.25Å; Q678-I681 WeakPolarHBondContact O-CB 3.28Å; Q678-I681 PolarHBondContact O-N 2.91Å; Q678-I681 VanDerWaalsContact O-N 3.12Å; Q678-D682 PolarHBondContact NE2-OD1 3.31Å; Q678-D682 PolarHBondContact O-N 3.11Å
679A96.9Very high95.4Very high29 Ų2975.1 Ų75.124%0.2438%0.383CS..Hα-helixtrans-62-38179.700000112.2L675 R676 R677 K683L675-A679 HydrophobicContact CB-CB 3.99Å; L675-A679 HydrophobicContact CD1-CB 3.99Å; R676-A679 WeakPolarHBondContact O-CB 3.2Å; R676-A679 PolarHBondContact O-N 2.94Å; R677-A679 VanDerWaalsContact C-N 3.29Å; R677-A679 PolarHBondContact O-N 3.18Å; A679-K683 VanDerWaalsContact O-CB 3.28Å; A679-K683 WeakPolarHBondContact O-CB 3.3Å; A679-K683 PolarHBondContact O-N 3.41Å
680Y98Very high95.4Very high0 Ų074.5 Ų74.50%038%0.383CS..Hα-helixtrans-70.8-36.2175.3-54.5-59.8000112.3R623 S626 K627 V630 W667 L668 G672 E673 L675 R677 Q678 K683 L684R623-Y680 HydrophobicContact CG-CD2 4.41Å; R623-Y680 HydrophobicContact CG-CE2 3.99Å; R623-Y680 PolarHBondContact NH1-OH 3.11Å; S626-Y680 WeakPolarHBondContact O-CB 3.36Å; K627-Y680 HydrophobicContact CB-CD1 4.06Å; K627-Y680 HydrophobicContact CB-CD2 4.05Å; K627-Y680 HydrophobicContact CB-CE1 3.98Å; K627-Y680 HydrophobicContact CB-CE2 3.96Å; K627-Y680 HydrophobicContact CB-CG 4.11Å; K627-Y680 HydrophobicContact CD-CE1 4.27Å; K627-Y680 HydrophobicContact CG-CD1 4.17Å; K627-Y680 HydrophobicContact CG-CE1 3.79Å; V630-Y680 VanDerWaalsContact CG2-O 3.26Å; V630-Y680 WeakPolarHBondContact CG2-O 3.44Å; W667-Y680 AromaticContact CH2-CD1 3.76Å; W667-Y680 HydrophobicContact CH2-CD1 3.76Å; W667-Y680 AromaticContact CH2-CE1 3.94Å; W667-Y680 HydrophobicContact CH2-CE1 3.94Å; W667-Y680 AromaticContact CZ3-CD1 3.89Å; W667-Y680 HydrophobicContact CZ3-CD1 3.89Å; W667-Y680 HydrophobicContact CZ3-CE1 4.07Å; L668-Y680 HydrophobicContact CD2-CD1 4.32Å; L668-Y680 HydrophobicContact CD2-CE1 4.21Å; G672-Y680 VanDerWaalsContact O-CE1 3.24Å; G672-Y680 WeakPolarHBondContact O-CE1 3.4Å; G672-Y680 PolarHBondContact O-OH 2.65Å; E673-Y680 PolarHBondContact O-OH 3.12Å; E673-Y680 VanDerWaalsContact O-OH 3.08Å; L675-Y680 PolarHBondContact N-OH 2.76Å; L675-Y680 VanDerWaalsContact N-OH 3.11Å; L675-Y680 VanDerWaalsContact O-CE2 3.3Å; L675-Y680 WeakPolarHBondContact O-CE2 3.5Å; R677-Y680 PolarHBondContact O-N 2.98Å; Q678-Y680 VanDerWaalsContact C-N 3.31Å; Q678-Y680 PolarHBondContact O-N 3.25Å; Y680-K683 PolarHBondContact O-N 3.08Å; Y680-L684 WeakPolarHBondContact O-CB 3.27Å; Y680-L684 PolarHBondContact O-N 3.08Å
681I97.9Very high95.5Very high54 Ų5472.6 Ų72.628%0.27736%0.363SS..Hα-helixtrans-64.2-47.4175.1-65.3170.9000110.5R677 Q678 K683 L684 A685R677-I681 HydrophobicContact CG-CD1 3.99Å; R677-I681 PolarHBondContact O-N 3.49Å; Q678-I681 WeakPolarHBondContact O-CB 3.28Å; Q678-I681 PolarHBondContact O-N 2.91Å; Q678-I681 VanDerWaalsContact O-N 3.12Å; I681-K683 VanDerWaalsContact C-N 3.33Å; I681-K683 PolarHBondContact O-N 2.97Å; I681-L684 PolarHBondContact O-N 3.43Å; I681-A685 WeakPolarHBondContact O-CB 3.4Å; I681-A685 PolarHBondContact O-N 3.34Å
682D97.7Very high95.7Very high89 Ų8968.9 Ų68.948%0.47634%0.343SS..Hα-helixtrans-63.9-40.5179.2-61.7-20.2000110.7Q678 A685 E686Q678-D682 PolarHBondContact NE2-OD1 3.31Å; Q678-D682 PolarHBondContact O-N 3.11Å; D682-A685 PolarHBondContact O-N 3.49Å; D682-E686 PolarHBondContact O-N 3.08Å
683K97.2Very high95.9Very high34 Ų3471.1 Ų71.115%0.14836%0.358CS..Hα-helixtrans-66.8-41.3176.4-162.972.8-168.1162.40112.6V630 T664 W667 A679 Y680 I681 A685 E686 L687V630-K683 HydrophobicContact CG1-CG 4.42Å; T664-K683 HydrophobicContact CG2-CD 4.25Å; T664-K683 HydrophobicContact CG2-CG 3.69Å; T664-K683 WeakPolarHBondContact OG1-CE 3.3Å; W667-K683 HydrophobicContact CE3-CG 4.24Å; W667-K683 HydrophobicContact CH2-CB 4.07Å; W667-K683 HydrophobicContact CH2-CG 4.18Å; W667-K683 HydrophobicContact CZ3-CB 4.14Å; W667-K683 HydrophobicContact CZ3-CD 4.49Å; W667-K683 HydrophobicContact CZ3-CG 3.86Å; A679-K683 VanDerWaalsContact O-CB 3.28Å; A679-K683 WeakPolarHBondContact O-CB 3.3Å; A679-K683 PolarHBondContact O-N 3.41Å; Y680-K683 PolarHBondContact O-N 3.08Å; I681-K683 VanDerWaalsContact C-N 3.33Å; I681-K683 PolarHBondContact O-N 2.97Å; K683-A685 VanDerWaalsContact C-N 3.32Å; K683-A685 PolarHBondContact O-N 3.07Å; K683-E686 WeakPolarHBondContact CD-OE2 3.37Å; K683-E686 WeakPolarHBondContact CE-OE2 3.28Å; K683-E686 IonicContact NZ-OE1 2.7Å; K683-E686 IonicContact NZ-OE2 3.19Å; K683-E686 PolarHBondContact NZ-OE2 2.71Å; K683-E686 WeakPolarHBondContact O-CB 3.27Å; K683-E686 PolarHBondContact O-N 2.85Å; K683-L687 WeakPolarHBondContact O-CG 3.48Å; K683-L687 PolarHBondContact O-N 2.97Å
684L97.9Very high96.2Very high24 Ų2465.8 Ų65.813%0.12633%0.333CS..Hα-helixtrans-64-37.8173.5-174.557.7000111.6A629 V630 Y633 Y680 I681 L687 R688A629-L684 HydrophobicContact CB-CD2 4.22Å; V630-L684 HydrophobicContact CG2-CB 4.03Å; Y633-L684 HydrophobicContact CD1-CD1 4.37Å; Y633-L684 HydrophobicContact CD2-CD1 4.06Å; Y633-L684 HydrophobicContact CG-CD1 3.8Å; Y680-L684 WeakPolarHBondContact O-CB 3.27Å; Y680-L684 PolarHBondContact O-N 3.08Å; I681-L684 PolarHBondContact O-N 3.43Å; L684-L687 PolarHBondContact O-N 2.95Å; L684-R688 HydrophobicContact CD1-CG 4.34Å; L684-R688 VanDerWaalsContact O-CB 3.31Å; L684-R688 WeakPolarHBondContact O-CB 3.13Å; L684-R688 VanDerWaalsContact O-CG 3.29Å; L684-R688 WeakPolarHBondContact O-CG 3.33Å; L684-R688 PolarHBondContact O-N 3.24Å
685A98.2Very high96.5Very high58 Ų5862.8 Ų62.848%0.47931%0.31SS..Hα-helixtrans-66.3-39.4175.500000112.3I681 D682 K683 R688 S689I681-A685 WeakPolarHBondContact O-CB 3.4Å; I681-A685 PolarHBondContact O-N 3.34Å; D682-A685 PolarHBondContact O-N 3.49Å; K683-A685 VanDerWaalsContact C-N 3.32Å; K683-A685 PolarHBondContact O-N 3.07Å; A685-R688 PolarHBondContact O-N 2.92Å; A685-S689 WeakPolarHBondContact O-CB 3.39Å; A685-S689 PolarHBondContact O-N 3.18Å
686E97.6Very high96.7Very high84 Ų8463.1 Ų63.139%0.39331%0.31SS..Hα-helixtrans-59.1-51.8172.3-173.7-171.3-174.500111.1L660 D682 K683 R688 S689L660-E686 HydrophobicContact CD2-CG 4.43Å; D682-E686 PolarHBondContact O-N 3.08Å; K683-E686 WeakPolarHBondContact CD-OE2 3.37Å; K683-E686 WeakPolarHBondContact CE-OE2 3.28Å; K683-E686 IonicContact NZ-OE1 2.7Å; K683-E686 IonicContact NZ-OE2 3.19Å; K683-E686 PolarHBondContact NZ-OE2 2.71Å; K683-E686 WeakPolarHBondContact O-CB 3.27Å; K683-E686 PolarHBondContact O-N 2.85Å; E686-R688 PolarHBondContact O-N 2.71Å; E686-S689 WeakPolarHBondContact O-CB 3.35Å; E686-S689 PolarHBondContact O-N 3.48Å; E686-S689 PolarHBondContact O-OG 2.92Å
687L97.9Very high96.8Very high0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-58.2-47.5177.7-71.7177.4000112.2V630 Y633 V634 L660 L661 T664 K683 L684 S689 K690 G691V630-L687 HydrophobicContact CG1-CD1 4Å; Y633-L687 HydrophobicContact CD1-CB 3.92Å; Y633-L687 HydrophobicContact CD1-CD1 3.98Å; Y633-L687 HydrophobicContact CE1-CB 3.68Å; V634-L687 HydrophobicContact CG2-CD1 3.84Å; L660-L687 HydrophobicContact CD2-CD2 4.01Å; L660-L687 HydrophobicContact CG-CD2 3.85Å; L661-L687 HydrophobicContact CD2-CD2 3.96Å; T664-L687 HydrophobicContact CG2-CD1 4.07Å; K683-L687 WeakPolarHBondContact O-CG 3.48Å; K683-L687 PolarHBondContact O-N 2.97Å; L684-L687 PolarHBondContact O-N 2.95Å; L687-S689 VanDerWaalsContact C-N 3.32Å; L687-S689 PolarHBondContact O-N 3.39Å; L687-K690 PolarHBondContact O-N 3.42Å; L687-K690 VanDerWaalsContact O-N 3.09Å; L687-G691 PolarHBondContact O-N 3.02Å
688R97.4Very high96.8Very high117 Ų11749.1 Ų49.144%0.44226%0.258SS..Hα-helixtrans-62-35.6177.7-77-174.2-178.1-167.1-0.8113.4Y633 L684 A685 E686 K690 G691 D692Y633-R688 HydrophobicContact CD2-CG 4.32Å; Y633-R688 HydrophobicContact CE2-CG 3.62Å; Y633-R688 WeakPolarHBondContact OH-CA 3.4Å; L684-R688 HydrophobicContact CD1-CG 4.34Å; L684-R688 VanDerWaalsContact O-CB 3.31Å; L684-R688 WeakPolarHBondContact O-CB 3.13Å; L684-R688 VanDerWaalsContact O-CG 3.29Å; L684-R688 WeakPolarHBondContact O-CG 3.33Å; L684-R688 PolarHBondContact O-N 3.24Å; A685-R688 PolarHBondContact O-N 2.92Å; E686-R688 PolarHBondContact O-N 2.71Å; R688-K690 PolarHBondContact O-N 2.9Å; R688-G691 PolarHBondContact O-N 2.9Å; R688-D692 WeakPolarHBondContact CB-OD2 3.35Å; R688-D692 WeakPolarHBondContact CG-OD1 3.39Å; R688-D692 WeakPolarHBondContact O-CB 3.21Å; R688-D692 VanDerWaalsContact O-CG 3.31Å; R688-D692 PolarHBondContact O-N 2.93Å
689S97Very high96.8Very high74 Ų7448.1 Ų48.152%0.51726%0.256SS..Hα-helixtrans-59.4-20175.581.30000113.9A685 E686 L687A685-S689 WeakPolarHBondContact O-CB 3.39Å; A685-S689 PolarHBondContact O-N 3.18Å; E686-S689 WeakPolarHBondContact O-CB 3.35Å; E686-S689 PolarHBondContact O-N 3.48Å; E686-S689 PolarHBondContact O-OG 2.92Å; L687-S689 VanDerWaalsContact C-N 3.32Å; L687-S689 PolarHBondContact O-N 3.39Å
690K95.1Very high96.8Very high111 Ų11147.4 Ų47.448%0.48325%0.248SC..Hα-helixtrans-104.1-41.8177.4-60.1-59.3-174.4176.90113.2L657 L660 L687 R688L657-K690 HydrophobicContact CD1-CB 3.77Å; L657-K690 HydrophobicContact CD2-CB 4.45Å; L660-K690 HydrophobicContact CD2-CG 4.16Å; L687-K690 PolarHBondContact O-N 3.42Å; L687-K690 VanDerWaalsContact O-N 3.09Å; R688-K690 PolarHBondContact O-N 2.9Å
691G96.1Very high96.6Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-80.8-39.9-177.100000114.5Y633 L687 R688 I694 V695Y633-G691 WeakPolarHBondContact OH-CA 3.35Å; L687-G691 PolarHBondContact O-N 3.02Å; R688-G691 PolarHBondContact O-N 2.9Å; G691-I694 WeakPolarHBondContact O-CB 3.27Å; G691-I694 PolarHBondContact O-N 3.43Å; G691-V695 PolarHBondContact O-N 3.28Å; G691-V695 VanDerWaalsContact O-N 3.09Å
692D95.9Very high96.5Very high70 Ų7053.2 Ų53.237%0.37428%0.277SS..Hα-helixtrans-62.5-35.4-174.3-64.26.5000113.4Y633 R688 I694 V695 H696Y633-D692 PolarHBondContact OH-OD1 3.15Å; Y633-D692 VanDerWaalsContact OH-OD1 3.07Å; R688-D692 WeakPolarHBondContact CB-OD2 3.35Å; R688-D692 WeakPolarHBondContact CG-OD1 3.39Å; R688-D692 WeakPolarHBondContact O-CB 3.21Å; R688-D692 VanDerWaalsContact O-CG 3.31Å; R688-D692 PolarHBondContact O-N 2.93Å; D692-I694 VanDerWaalsContact C-N 3.34Å; D692-I694 PolarHBondContact O-N 3.14Å; D692-V695 PolarHBondContact O-N 3.22Å; D692-H696 WeakPolarHBondContact O-CB 3.26Å; D692-H696 PolarHBondContact O-N 2.77Å
693P95.8Very high96.4Very high47 Ų4752.4 Ų52.431%0.30527%0.272SS..Hα-helixtrans-59.1-39.6170.7-26.436.1000113.8H696 R697P693-H696 PolarHBondContact O-N 3.43Å; P693-R697 WeakPolarHBondContact O-CG 3.22Å; P693-R697 PolarHBondContact O-N 2.82Å
694I96.3Very high96.3Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-67.9-44.8178.9-55.7168.3000109.7L641 L645 F648 E653 L657 G691 D692 H696 R697 A698L641-I694 HydrophobicContact CD2-CD1 4.01Å; L641-I694 HydrophobicContact CD2-CG2 4.49Å; L645-I694 HydrophobicContact CB-CG2 4.1Å; L645-I694 HydrophobicContact CD1-CG2 4.4Å; F648-I694 HydrophobicContact CB-CG2 4.17Å; E653-I694 HydrophobicContact CG-CD1 4.12Å; E653-I694 HydrophobicContact CG-CG1 4.49Å; L657-I694 HydrophobicContact CD2-CD1 3.67Å; G691-I694 WeakPolarHBondContact O-CB 3.27Å; G691-I694 PolarHBondContact O-N 3.43Å; D692-I694 VanDerWaalsContact C-N 3.34Å; D692-I694 PolarHBondContact O-N 3.14Å; I694-H696 VanDerWaalsContact C-N 3.3Å; I694-H696 PolarHBondContact O-N 3.02Å; I694-R697 PolarHBondContact O-N 3.02Å; I694-A698 PolarHBondContact O-N 3.35Å
695V96.3Very high96.2Very high35 Ų3554.2 Ų54.221%0.21229%0.287CS..Hα-helixtrans-60.7-40.2174179.70000110.9M637 L645 G691 D692 A698 N699M637-V695 HydrophobicContact CE-CG2 3.78Å; L645-V695 HydrophobicContact CD1-CG2 3.78Å; L645-V695 HydrophobicContact CD2-CG2 4.49Å; G691-V695 PolarHBondContact O-N 3.28Å; G691-V695 VanDerWaalsContact O-N 3.09Å; D692-V695 PolarHBondContact O-N 3.22Å; V695-A698 PolarHBondContact O-N 3.22Å; V695-N699 WeakPolarHBondContact O-CB 3.45Å; V695-N699 VanDerWaalsContact O-CG 3.29Å; V695-N699 PolarHBondContact O-N 2.93Å; V695-N699 PolarHBondContact O-ND2 3.26Å
696H95.8Very high96.2Very high71 Ų7156.3 Ų56.333%0.32929%0.289SS..Hα-helixtrans-62.8-47.6175.9-17949.6000111.6D692 P693 I694 A698 N699 E700D692-H696 WeakPolarHBondContact O-CB 3.26Å; D692-H696 PolarHBondContact O-N 2.77Å; P693-H696 PolarHBondContact O-N 3.43Å; I694-H696 VanDerWaalsContact C-N 3.3Å; I694-H696 PolarHBondContact O-N 3.02Å; H696-A698 VanDerWaalsContact C-N 3.33Å; H696-A698 PolarHBondContact O-N 3.1Å; H696-N699 PolarHBondContact O-N 2.92Å; H696-E700 WeakPolarHBondContact CE1-CG 3.42Å; H696-E700 IonicContact CE1-OE1 3.85Å; H696-E700 PolarHBondContact CE1-OE1 3.42Å; H696-E700 WeakPolarHBondContact O-CB 3.45Å; H696-E700 VanDerWaalsContact O-CG 3.27Å; H696-E700 WeakPolarHBondContact O-CG 3.39Å; H696-E700 PolarHBondContact O-N 3.31Å
697R96.2Very high96.1Very high26 Ų2652.6 Ų52.610%0.09827%0.273CS..Hα-helixtrans-58.6-42.7175.6-69.1178.3-151.6139.42.7112.1F648 E653 P693 I694 H701 T767 D769F648-R697 HydrophobicContact CB-CB 4.37Å; F648-R697 PolarHBondContact O-NH1 3.08Å; E653-R697 VanDerWaalsContact CD-NH1 3.27Å; E653-R697 IonicContact OE1-CZ 3.53Å; E653-R697 IonicContact OE1-NH1 2.64Å; E653-R697 PolarHBondContact OE1-NH1 3.41Å; E653-R697 IonicContact OE1-NH2 3.35Å; E653-R697 PolarHBondContact OE1-NH2 2.86Å; E653-R697 IonicContact OE2-CZ 3.61Å; E653-R697 IonicContact OE2-NH1 2.76Å; E653-R697 PolarHBondContact OE2-NH1 3.35Å; E653-R697 IonicContact OE2-NH2 2.67Å; P693-R697 WeakPolarHBondContact O-CG 3.22Å; P693-R697 PolarHBondContact O-N 2.82Å; I694-R697 PolarHBondContact O-N 3.02Å; R697-H701 WeakPolarHBondContact O-CB 3.46Å; R697-H701 PolarHBondContact O-N 3.43Å; R697-T767 WeakPolarHBondContact CD-O 3.45Å; R697-T767 PolarHBondContact NE-O 3.33Å; R697-T767 PolarHBondContact NH1-O 3.41Å; R697-T767 VanDerWaalsContact NH1-O 3.16Å; R697-D769 IonicContact CZ-OD1 3.13Å; R697-D769 IonicContact NE-OD1 2.7Å; R697-D769 PolarHBondContact NE-OD1 3.11Å; R697-D769 IonicContact NH2-OD1 3.38Å
698A95.8Very high96.1Very high4 Ų453.7 Ų53.73%0.03328%0.28CS..Hα-helixtrans-62-51.6176.400000112L645 F648 I694 V695 H696 E700 H701 L702L645-A698 HydrophobicContact CD2-CB 3.45Å; L645-A698 VanDerWaalsContact CD2-CB 3.45Å; F648-A698 HydrophobicContact CB-CB 4.22Å; F648-A698 HydrophobicContact CD1-CB 4.28Å; F648-A698 HydrophobicContact CD2-CB 3.37Å; F648-A698 HydrophobicContact CE2-CB 3.73Å; F648-A698 HydrophobicContact CG-CB 3.67Å; F648-A698 HydrophobicContact CZ-CB 4.35Å; I694-A698 PolarHBondContact O-N 3.35Å; V695-A698 PolarHBondContact O-N 3.22Å; H696-A698 VanDerWaalsContact C-N 3.33Å; H696-A698 PolarHBondContact O-N 3.1Å; A698-E700 VanDerWaalsContact C-N 3.33Å; A698-E700 PolarHBondContact O-N 2.93Å; A698-H701 PolarHBondContact O-N 3.31Å; A698-L702 WeakPolarHBondContact O-CG 3.4Å; A698-L702 PolarHBondContact O-N 3.43Å
699N96.1Very high96Very high84 Ų8451.5 Ų51.545%0.44928%0.277SS..Hα-helixtrans-60.1-42.5177.9-74.5-19.1000111.9V695 H696 N703V695-N699 WeakPolarHBondContact O-CB 3.45Å; V695-N699 VanDerWaalsContact O-CG 3.29Å; V695-N699 PolarHBondContact O-N 2.93Å; V695-N699 PolarHBondContact O-ND2 3.26Å; H696-N699 PolarHBondContact O-N 2.92Å; N699-N703 WeakPolarHBondContact O-CB 3.31Å; N699-N703 PolarHBondContact O-N 2.58Å; N699-N703 PolarHBondContact O-ND2 3.06Å
700E96.4Very high96Very high14 Ų1451.3 Ų51.37%0.06527%0.27CS..Hα-helixtrans-65.2-39.8176.2-80.7-72.5159.500112.2H696 A698 R704 P770 K773 V774H696-E700 WeakPolarHBondContact CE1-CG 3.42Å; H696-E700 IonicContact CE1-OE1 3.85Å; H696-E700 PolarHBondContact CE1-OE1 3.42Å; H696-E700 WeakPolarHBondContact O-CB 3.45Å; H696-E700 VanDerWaalsContact O-CG 3.27Å; H696-E700 WeakPolarHBondContact O-CG 3.39Å; H696-E700 PolarHBondContact O-N 3.31Å; A698-E700 VanDerWaalsContact C-N 3.33Å; A698-E700 PolarHBondContact O-N 2.93Å; E700-R704 WeakPolarHBondContact O-CB 3.29Å; E700-R704 PolarHBondContact O-N 3.17Å; E700-R704 VanDerWaalsContact O-N 3.1Å; E700-R704 PolarHBondContact O-NH2 3.44Å; E700-R704 IonicContact OE2-NH2 3.3Å; E700-R704 PolarHBondContact OE2-NH2 3.07Å; E700-P770 HydrophobicContact CB-CG 4.35Å; E700-P770 HydrophobicContact CG-CG 4.12Å; E700-K773 VanDerWaalsContact OE2-CA 3.25Å; E700-K773 WeakPolarHBondContact OE2-CA 3.35Å; E700-V774 PolarHBondContact OE1-N 2.97Å; E700-V774 PolarHBondContact OE2-N 3.29Å
701H94.9Very high96.1Very high68 Ų6846 Ų4632%0.31525%0.247SC..Hα-helixtrans-67.4-43.1176-174.581.9000112.7F648 R697 A698 P705 Q766F648-H701 HydrophobicContact CD1-CB 4.19Å; F648-H701 HydrophobicContact CE1-CB 3.42Å; F648-H701 VanDerWaalsContact CE1-CB 3.42Å; F648-H701 AromaticContact CE1-CD2 3.62Å; F648-H701 AromaticContact CE1-CG 3.53Å; F648-H701 HydrophobicContact CZ-CB 4.11Å; F648-H701 AromaticContact CZ-CD2 3.81Å; R697-H701 WeakPolarHBondContact O-CB 3.46Å; R697-H701 PolarHBondContact O-N 3.43Å; A698-H701 PolarHBondContact O-N 3.31Å; H701-P705 WeakPolarHBondContact O-CD 3.49Å; H701-Q766 PolarHBondContact CE1-NE2 2.82Å; H701-Q766 VanDerWaalsContact CE1-NE2 3.25Å; H701-Q766 PolarHBondContact NE2-NE2 3.4Å
702L94.3Very high96.2Very high108 Ų10849.1 Ų49.157%0.56526%0.264SS*.Hα-helixtrans-69.8-39.1-178.7-69.6169.9000112.6A698A698-L702 WeakPolarHBondContact O-CG 3.4Å; A698-L702 PolarHBondContact O-N 3.43Å
703N96.7Very high96.2Very high72 Ų7252 Ų5239%0.38527%0.269SS..Hα-helixtrans-90.9-22.2-174.4-68.2-70.7000114.2N699 L706 A707 V774N699-N703 WeakPolarHBondContact O-CB 3.31Å; N699-N703 PolarHBondContact O-N 2.58Å; N699-N703 PolarHBondContact O-ND2 3.06Å; N703-L706 PolarHBondContact O-N 2.94Å; N703-A707 PolarHBondContact O-N 3.04Å; N703-A707 VanDerWaalsContact O-N 3.15Å; N703-V774 HydrophobicContact CB-CG2 3.83Å
704R95.9Very high96.1Very high16 Ų1650.4 Ų50.46%0.0626%0.259CS..Hα-helixtrans-58.5-44.4179.8-172-174.3-53.792.517.5113.7E700 L706 A707 V708 P770 V772 V774 I777E700-R704 WeakPolarHBondContact O-CB 3.29Å; E700-R704 PolarHBondContact O-N 3.17Å; E700-R704 VanDerWaalsContact O-N 3.1Å; E700-R704 PolarHBondContact O-NH2 3.44Å; E700-R704 IonicContact OE2-NH2 3.3Å; E700-R704 PolarHBondContact OE2-NH2 3.07Å; R704-L706 VanDerWaalsContact C-N 3.26Å; R704-L706 PolarHBondContact O-N 2.85Å; R704-A707 PolarHBondContact O-N 2.86Å; R704-A707 VanDerWaalsContact O-N 3.14Å; R704-V708 HydrophobicContact CG-CG2 4.14Å; R704-V708 VanDerWaalsContact O-CG2 3.28Å; R704-V708 WeakPolarHBondContact O-CG2 3.39Å; R704-V708 PolarHBondContact O-N 3.34Å; R704-P770 VanDerWaalsContact NH2-CB 3.33Å; R704-V772 PolarHBondContact NE-O 3.35Å; R704-V774 HydrophobicContact CB-CG2 4.2Å; R704-I777 HydrophobicContact CG-CD1 3.62Å
705P95.7Very high96.1Very high80 Ų8050.6 Ų50.652%0.51926%0.26SS..Hα-helixtrans-56.8-38.6177-26.635.9000113.1H701 V708 D709H701-P705 WeakPolarHBondContact O-CD 3.49Å; P705-V708 PolarHBondContact O-N 3.31Å; P705-D709 VanDerWaalsContact O-CB 3.28Å; P705-D709 WeakPolarHBondContact O-CB 3.46Å; P705-D709 PolarHBondContact O-N 3.04Å
706L96.5Very high96Very high101 Ų10152.8 Ų52.853%0.52927%0.274SS..Hα-helixtrans-67.1-40.9177.3-59.2174.9000111.8N703 R704 N710N703-L706 PolarHBondContact O-N 2.94Å; R704-L706 VanDerWaalsContact C-N 3.26Å; R704-L706 PolarHBondContact O-N 2.85Å; L706-N710 WeakPolarHBondContact O-CB 3.49Å; L706-N710 VanDerWaalsContact O-CG 3.31Å; L706-N710 PolarHBondContact O-N 3.09Å; L706-N710 PolarHBondContact O-ND2 2.95Å
707A96.8Very high96Very high6 Ų655.6 Ų55.65%0.0528%0.281CS..Hα-helixtrans-64.8-42.1175.200000112N703 R704 N710 F711 V774 I777 I778N703-A707 PolarHBondContact O-N 3.04Å; N703-A707 VanDerWaalsContact O-N 3.15Å; R704-A707 PolarHBondContact O-N 2.86Å; R704-A707 VanDerWaalsContact O-N 3.14Å; A707-N710 PolarHBondContact O-N 3.24Å; A707-F711 WeakPolarHBondContact O-CB 3.42Å; A707-F711 PolarHBondContact O-N 3.41Å; A707-V774 HydrophobicContact CB-CG1 4.23Å; A707-I777 HydrophobicContact CB-CB 4.25Å; A707-I777 HydrophobicContact CB-CD1 4.46Å; A707-I777 HydrophobicContact CB-CG2 3.9Å; A707-I778 HydrophobicContact CB-CG1 4.49Å
708V96.9Very high95.8Very high23 Ų2354.3 Ų54.314%0.13928%0.277CS..Hα-helixtrans-64.6-43.6176.5173.80000111.5R704 P705 F711 N712 L754 M758 I777R704-V708 HydrophobicContact CG-CG2 4.14Å; R704-V708 VanDerWaalsContact O-CG2 3.28Å; R704-V708 WeakPolarHBondContact O-CG2 3.39Å; R704-V708 PolarHBondContact O-N 3.34Å; P705-V708 PolarHBondContact O-N 3.31Å; V708-F711 WeakPolarHBondContact O-CB 3.05Å; V708-F711 PolarHBondContact O-N 3.46Å; V708-N712 WeakPolarHBondContact O-CB 3.41Å; V708-N712 PolarHBondContact O-N 2.92Å; V708-N712 PolarHBondContact O-ND2 3.32Å; V708-L754 HydrophobicContact CG1-CD2 4.41Å; V708-L754 HydrophobicContact CG2-CD1 4.38Å; V708-M758 HydrophobicContact CG2-CG 4.49Å; V708-M758 HydrophobicContact CG2-SD 3.57Å; V708-M758 VanDerWaalsContact CG2-SD 3.57Å; V708-I777 HydrophobicContact CG2-CD1 3.89Å
709D96.7Very high95.7Very high72 Ų7258.4 Ų58.439%0.38529%0.291SS..Hα-helixtrans-64.3-40.2177.5-177.632.1000111.8P705 N712 R713P705-D709 VanDerWaalsContact O-CB 3.28Å; P705-D709 WeakPolarHBondContact O-CB 3.46Å; P705-D709 PolarHBondContact O-N 3.04Å; D709-N712 PolarHBondContact O-N 3.5Å; D709-R713 VanDerWaalsContact CG-CZ 3.45Å; D709-R713 VanDerWaalsContact CG-NH2 3.3Å; D709-R713 WeakPolarHBondContact O-CG 3.42Å; D709-R713 PolarHBondContact O-N 3.38Å; D709-R713 IonicContact OD1-CZ 3.01Å; D709-R713 IonicContact OD1-NH1 2.73Å; D709-R713 PolarHBondContact OD1-NH1 3.41Å; D709-R713 IonicContact OD1-NH2 2.81Å; D709-R713 IonicContact OD2-CZ 3.41Å; D709-R713 IonicContact OD2-NH1 3.31Å; D709-R713 PolarHBondContact OD2-NH1 3.24Å; D709-R713 IonicContact OD2-NH2 2.67Å; D709-R713 PolarHBondContact OD2-NH2 2.64Å
710N96.5Very high95.6Very high69 Ų6960.7 Ų60.737%0.36930%0.297SS..Hα-helixtrans-64.6-43.3171.8-73.8-22.7000112.8L706 A707 N712 R713 S714L706-N710 WeakPolarHBondContact O-CB 3.49Å; L706-N710 VanDerWaalsContact O-CG 3.31Å; L706-N710 PolarHBondContact O-N 3.09Å; L706-N710 PolarHBondContact O-ND2 2.95Å; A707-N710 PolarHBondContact O-N 3.24Å; N710-N712 PolarHBondContact O-N 2.95Å; N710-R713 WeakPolarHBondContact O-CB 3.41Å; N710-R713 PolarHBondContact O-N 2.82Å; N710-R713 PolarHBondContact OD1-NE 3.25Å; N710-R713 PolarHBondContact OD1-NH2 3.39Å; N710-S714 PolarHBondContact O-N 2.85Å
711F97.3Very high95.3Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-58.5-48.4174.6-161.1-59.8000111.1A707 V708 R713 S714 L715 Y750 W753 L754 I777 Q780 Q781 M784A707-F711 WeakPolarHBondContact O-CB 3.42Å; A707-F711 PolarHBondContact O-N 3.41Å; V708-F711 WeakPolarHBondContact O-CB 3.05Å; V708-F711 PolarHBondContact O-N 3.46Å; F711-R713 VanDerWaalsContact C-N 3.34Å; F711-R713 PolarHBondContact O-N 2.9Å; F711-S714 PolarHBondContact O-N 3.43Å; F711-S714 VanDerWaalsContact O-N 3.08Å; F711-L715 HydrophobicContact CD1-CD1 3.73Å; F711-L715 HydrophobicContact CD1-CG 3.95Å; F711-L715 HydrophobicContact CE1-CD1 3.79Å; F711-L715 HydrophobicContact CE1-CD2 4.33Å; F711-L715 HydrophobicContact CE1-CG 3.91Å; F711-L715 PolarHBondContact O-N 3.47Å; F711-Y750 AromaticContact CZ-CD1 3.92Å; F711-Y750 HydrophobicContact CZ-CD1 3.92Å; F711-Y750 HydrophobicContact CZ-CG 4.26Å; F711-W753 HydrophobicContact CE2-CE3 4.43Å; F711-W753 HydrophobicContact CE2-CZ3 4.12Å; F711-L754 HydrophobicContact CB-CD2 4.15Å; F711-L754 HydrophobicContact CD1-CD2 3.75Å; F711-L754 HydrophobicContact CE1-CD2 4.38Å; F711-L754 HydrophobicContact CG-CD2 3.94Å; F711-I777 HydrophobicContact CB-CG2 4.2Å; F711-I777 HydrophobicContact CD2-CG2 3.74Å; F711-I777 WeakPolarHBondContact CD2-O 3.28Å; F711-I777 HydrophobicContact CG-CG2 4.42Å; F711-Q780 HydrophobicContact CE2-CB 3.85Å; F711-Q780 HydrophobicContact CZ-CB 4.42Å; F711-Q781 HydrophobicContact CD2-CB 3.6Å; F711-Q781 HydrophobicContact CD2-CG 4.33Å; F711-Q781 HydrophobicContact CE2-CB 3.89Å; F711-Q781 VanDerWaalsContact CE2-N 3.27Å; F711-Q781 HydrophobicContact CG-CB 4.23Å; F711-Q781 HydrophobicContact CG-CG 4.49Å; F711-M784 HydrophobicContact CD1-CE 4.43Å; F711-M784 HydrophobicContact CE1-CE 4.05Å; F711-M784 HydrophobicContact CE1-SD 4.06Å; F711-M784 HydrophobicContact CZ-SD 4.5Å
712N96.7Very high95.1Very high66 Ų6658.1 Ų58.135%0.35329%0.286SS..Hα-helixtrans-63.6-36.4178.8-77.1-34000112.4V708 D709 N710 S714 L715 V716 L754V708-N712 WeakPolarHBondContact O-CB 3.41Å; V708-N712 PolarHBondContact O-N 2.92Å; V708-N712 PolarHBondContact O-ND2 3.32Å; D709-N712 PolarHBondContact O-N 3.5Å; N710-N712 PolarHBondContact O-N 2.95Å; N712-S714 VanDerWaalsContact C-N 3.29Å; N712-S714 PolarHBondContact O-N 3.23Å; N712-L715 PolarHBondContact O-N 3.03Å; N712-V716 WeakPolarHBondContact O-CB 3.21Å; N712-V716 WeakPolarHBondContact O-CG2 3.1Å; N712-V716 PolarHBondContact O-N 3.33Å; N712-L754 WeakPolarHBondContact OD1-CD2 3.43Å
713R96.5Very high94.9Very high129 Ų12957.5 Ų57.549%0.48728%0.284SS..Hα-helixtrans-57.9-40.8170.9-83.8-170.7-87.7-853.4112D709 N710 F711 R717D709-R713 VanDerWaalsContact CG-CZ 3.45Å; D709-R713 VanDerWaalsContact CG-NH2 3.3Å; D709-R713 WeakPolarHBondContact O-CG 3.42Å; D709-R713 PolarHBondContact O-N 3.38Å; D709-R713 IonicContact OD1-CZ 3.01Å; D709-R713 IonicContact OD1-NH1 2.73Å; D709-R713 PolarHBondContact OD1-NH1 3.41Å; D709-R713 IonicContact OD1-NH2 2.81Å; D709-R713 IonicContact OD2-CZ 3.41Å; D709-R713 IonicContact OD2-NH1 3.31Å; D709-R713 PolarHBondContact OD2-NH1 3.24Å; D709-R713 IonicContact OD2-NH2 2.67Å; D709-R713 PolarHBondContact OD2-NH2 2.64Å; N710-R713 WeakPolarHBondContact O-CB 3.41Å; N710-R713 PolarHBondContact O-N 2.82Å; N710-R713 PolarHBondContact OD1-NE 3.25Å; N710-R713 PolarHBondContact OD1-NH2 3.39Å; F711-R713 VanDerWaalsContact C-N 3.34Å; F711-R713 PolarHBondContact O-N 2.9Å; R713-R717 WeakPolarHBondContact O-CB 3.42Å; R713-R717 PolarHBondContact O-N 3.12Å
714S95Very high94.6Very high14 Ų1455.1 Ų55.110%0.09827%0.273CS..Hα-helixtrans-70-41.9176.8-65.90000112.6N710 F711 N712 V716 R717 I718 Q781 E785N710-S714 PolarHBondContact O-N 2.85Å; F711-S714 PolarHBondContact O-N 3.43Å; F711-S714 VanDerWaalsContact O-N 3.08Å; N712-S714 VanDerWaalsContact C-N 3.29Å; N712-S714 PolarHBondContact O-N 3.23Å; S714-V716 PolarHBondContact O-N 3.16Å; S714-R717 WeakPolarHBondContact O-CB 3.46Å; S714-R717 PolarHBondContact O-N 2.65Å; S714-I718 WeakPolarHBondContact O-CG1 3.4Å; S714-I718 PolarHBondContact O-N 3Å; S714-I718 VanDerWaalsContact O-N 3.08Å; S714-Q781 PolarHBondContact OG-NE2 3.27Å; S714-E785 VanDerWaalsContact CB-OE1 3.28Å; S714-E785 WeakPolarHBondContact CB-OE1 3.31Å; S714-E785 PolarHBondContact OG-OE1 3.27Å
715L95.5Very high94.2Very high4 Ų456.4 Ų56.42%0.02128%0.282CS..Hα-helixtrans-57.5-47.8171.6-74.9169.6000111.9F711 N712 R717 I718 R719 I747 E751 M784F711-L715 HydrophobicContact CD1-CD1 3.73Å; F711-L715 HydrophobicContact CD1-CG 3.95Å; F711-L715 HydrophobicContact CE1-CD1 3.79Å; F711-L715 HydrophobicContact CE1-CD2 4.33Å; F711-L715 HydrophobicContact CE1-CG 3.91Å; F711-L715 PolarHBondContact O-N 3.47Å; N712-L715 PolarHBondContact O-N 3.03Å; L715-R717 VanDerWaalsContact C-N 3.31Å; L715-R717 PolarHBondContact O-N 2.93Å; L715-I718 PolarHBondContact O-N 3.22Å; L715-R719 WeakPolarHBondContact O-CB 3.36Å; L715-R719 PolarHBondContact O-N 3.46Å; L715-I747 HydrophobicContact CD2-CB 4.41Å; L715-I747 HydrophobicContact CD2-CG1 4.41Å; L715-I747 HydrophobicContact CD2-CG2 4.12Å; L715-E751 HydrophobicContact CD1-CB 4.09Å; L715-E751 HydrophobicContact CD1-CG 4.49Å; L715-E751 HydrophobicContact CD2-CB 4.44Å; L715-M784 HydrophobicContact CD2-CE 4.28Å; L715-M784 HydrophobicContact CD2-SD 3.44Å; L715-M784 WeakPolarHBondContact CD2-SD 3.34Å; L715-M784 HydrophobicContact CG-CE 4.26Å; L715-M784 HydrophobicContact CG-SD 4.04Å
716V95.1Very high93.8Very high82 Ų8257 Ų5750%0.49729%0.293SS..Hα-helixtrans-62.3-37.1177.4168.90000111.7N712 S714 R719 K720N712-V716 WeakPolarHBondContact O-CB 3.21Å; N712-V716 WeakPolarHBondContact O-CG2 3.1Å; N712-V716 PolarHBondContact O-N 3.33Å; S714-V716 PolarHBondContact O-N 3.16Å; V716-R719 PolarHBondContact O-N 3.46Å; V716-K720 HydrophobicContact CG1-CD 4.46Å; V716-K720 WeakPolarHBondContact O-CG 3.13Å; V716-K720 PolarHBondContact O-N 3.32Å
717R94.2Very high93.5Very high129 Ų12955.9 Ų55.949%0.48730%0.299SS..Hα-helixtrans-62.4-43.7175.6-176.1-177.8179.9-174.30.4111.8R713 S714 L715R713-R717 WeakPolarHBondContact O-CB 3.42Å; R713-R717 PolarHBondContact O-N 3.12Å; S714-R717 WeakPolarHBondContact O-CB 3.46Å; S714-R717 PolarHBondContact O-N 2.65Å; L715-R717 VanDerWaalsContact C-N 3.31Å; L715-R717 PolarHBondContact O-N 2.93Å
718I93.1Very high92.8Very high0 Ų058 Ų580%032%0.321CS..Hα-helixtrans-71.1-42.1179.3-54.1157000110S714 L715 K720 V721 L722 L743 I747 M784 C788 I792S714-I718 WeakPolarHBondContact O-CG1 3.4Å; S714-I718 PolarHBondContact O-N 3Å; S714-I718 VanDerWaalsContact O-N 3.08Å; L715-I718 PolarHBondContact O-N 3.22Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 2.93Å; I718-V721 WeakPolarHBondContact O-CB 3.22Å; I718-V721 PolarHBondContact O-N 2.64Å; I718-L722 PolarHBondContact O-N 3.38Å; I718-L743 HydrophobicContact CG2-CB 4.33Å; I718-L743 HydrophobicContact CG2-CD2 3.86Å; I718-L743 HydrophobicContact CG2-CG 4.46Å; I718-I747 HydrophobicContact CB-CD1 3.99Å; I718-I747 HydrophobicContact CB-CG1 4.21Å; I718-I747 HydrophobicContact CG2-CD1 3.78Å; I718-I747 HydrophobicContact CG2-CG1 4.01Å; I718-M784 HydrophobicContact CD1-CE 3.92Å; I718-M784 HydrophobicContact CD1-CG 4.09Å; I718-M784 HydrophobicContact CD1-SD 3.91Å; I718-C788 HydrophobicContact CD1-CB 3.64Å; I718-C788 HydrophobicContact CG1-CB 4.02Å; I718-C788 HydrophobicContact CG2-CB 4.35Å; I718-I792 HydrophobicContact CG2-CG2 4.33Å
719R94Very high92.2Very high90 Ų9061.1 Ų61.134%0.3433%0.334SS..Hα-helixtrans-59.9-40.3177.7-169.5163.7-87.9152-6.3112.5L715 V716 V721 L722 D723 I747 E751L715-R719 WeakPolarHBondContact O-CB 3.36Å; L715-R719 PolarHBondContact O-N 3.46Å; V716-R719 PolarHBondContact O-N 3.46Å; R719-V721 PolarHBondContact O-N 3.03Å; R719-L722 WeakPolarHBondContact O-CB 3.42Å; R719-L722 PolarHBondContact O-N 3.39Å; R719-L722 VanDerWaalsContact O-N 3.08Å; R719-D723 VanDerWaalsContact O-CG 3.28Å; R719-D723 PolarHBondContact O-N 3.18Å; R719-I747 HydrophobicContact CB-CD1 3.99Å; R719-E751 IonicContact CZ-OE1 3.23Å; R719-E751 IonicContact CZ-OE2 3.89Å; R719-E751 VanDerWaalsContact NH1-CD 3.35Å; R719-E751 IonicContact NH1-OE1 3.99Å; R719-E751 PolarHBondContact NH1-OE1 2.91Å; R719-E751 IonicContact NH1-OE2 2.91Å; R719-E751 PolarHBondContact NH1-OE2 2.81Å; R719-E751 VanDerWaalsContact NH1-OE2 3.08Å; R719-E751 IonicContact NH2-OE1 3.43Å; R719-E751 IonicContact NH2-OE2 3.21Å; R719-E751 PolarHBondContact NH2-OE2 3.01Å
720K93Very high91.4Very high131 Ų13162 Ų6257%0.5734%0.344SS*.Hα-helixtrans-59-31.5173.4-77.9-179.2178.5-173.20114.3V716 I718 S724V716-K720 HydrophobicContact CG1-CD 4.46Å; V716-K720 WeakPolarHBondContact O-CG 3.13Å; V716-K720 PolarHBondContact O-N 3.32Å; I718-K720 VanDerWaalsContact C-N 3.34Å; I718-K720 PolarHBondContact O-N 2.93Å; K720-S724 WeakPolarHBondContact O-CB 3.45Å; K720-S724 PolarHBondContact O-N 3.4Å; K720-S724 PolarHBondContact O-OG 3.35Å
721V90.3Very high90.6Very high9 Ų962.6 Ų62.66%0.05535%0.35CS..Hα-helixtrans-71.5-40.4176.1176.10000110.2I718 R719 S724 V725 Y732 L735 I792I718-V721 WeakPolarHBondContact O-CB 3.22Å; I718-V721 PolarHBondContact O-N 2.64Å; R719-V721 PolarHBondContact O-N 3.03Å; V721-S724 WeakPolarHBondContact O-CB 3.33Å; V721-S724 PolarHBondContact O-N 3.01Å; V721-V725 WeakPolarHBondContact O-CG2 3.43Å; V721-V725 PolarHBondContact O-N 3.29Å; V721-Y732 HydrophobicContact CG1-CD1 3.79Å; V721-Y732 HydrophobicContact CG1-CD2 4.39Å; V721-Y732 HydrophobicContact CG1-CE1 3.67Å; V721-Y732 HydrophobicContact CG1-CE2 4.28Å; V721-Y732 HydrophobicContact CG1-CG 4.16Å; V721-Y732 HydrophobicContact CG2-CE1 4.32Å; V721-L735 HydrophobicContact CG1-CD1 4.32Å; V721-I792 HydrophobicContact CB-CG2 4.11Å; V721-I792 HydrophobicContact CG1-CB 4.21Å; V721-I792 HydrophobicContact CG1-CG2 3.93Å; V721-I792 HydrophobicContact CG2-CB 4.09Å; V721-I792 HydrophobicContact CG2-CG2 4.1Å
722L90.6Very high90Very high19 Ų1965 Ų6510%0.09936%0.36CS..Hα-helixtrans-63.7-42.4172.4-67170.5000112.2I718 R719 S724 V725 A726 V740 L743 E744 I747I718-L722 PolarHBondContact O-N 3.38Å; R719-L722 WeakPolarHBondContact O-CB 3.42Å; R719-L722 PolarHBondContact O-N 3.39Å; R719-L722 VanDerWaalsContact O-N 3.08Å; L722-S724 VanDerWaalsContact C-N 3.28Å; L722-S724 PolarHBondContact O-N 2.7Å; L722-V725 PolarHBondContact O-N 3.25Å; L722-A726 WeakPolarHBondContact O-CB 3.38Å; L722-A726 PolarHBondContact O-N 3.22Å; L722-V740 HydrophobicContact CD2-CG1 3.79Å; L722-L743 HydrophobicContact CD1-CB 4.32Å; L722-L743 HydrophobicContact CD2-CB 3.95Å; L722-L743 HydrophobicContact CD2-CD1 4.4Å; L722-L743 HydrophobicContact CG-CB 4.35Å; L722-E744 HydrophobicContact CD1-CG 3.72Å; L722-E744 HydrophobicContact CD2-CG 4.02Å; L722-E744 HydrophobicContact CG-CG 4.5Å; L722-I747 HydrophobicContact CD1-CD1 3.53Å
723D90.7Very high89.3Confident96 Ų9666.6 Ų66.651%0.51337%0.368SS..Hα-helixtrans-59.8-40174.7-61.4-34.6000111.1R719 A726 A727R719-D723 VanDerWaalsContact O-CG 3.28Å; R719-D723 PolarHBondContact O-N 3.18Å; D723-A726 PolarHBondContact O-N 3Å; D723-A727 WeakPolarHBondContact O-CB 3.37Å; D723-A727 PolarHBondContact O-N 2.82Å
724S89.9Confident88.8Confident22 Ų2262.1 Ų62.115%0.15435%0.353CS..Hα-helixtrans-66.9-39.9176-55.10000112.3K720 V721 L722 A727 G728 E729K720-S724 WeakPolarHBondContact O-CB 3.45Å; K720-S724 PolarHBondContact O-N 3.4Å; K720-S724 PolarHBondContact O-OG 3.35Å; V721-S724 WeakPolarHBondContact O-CB 3.33Å; V721-S724 PolarHBondContact O-N 3.01Å; L722-S724 VanDerWaalsContact C-N 3.28Å; L722-S724 PolarHBondContact O-N 2.7Å; S724-A727 PolarHBondContact O-N 2.82Å; S724-G728 PolarHBondContact O-N 3Å; S724-E729 WeakPolarHBondContact CB-OE2 3.42Å; S724-E729 WeakPolarHBondContact O-CB 3.1Å; S724-E729 PolarHBondContact O-N 2.78Å; S724-E729 PolarHBondContact OG-OE2 3.29Å
725V87.6Confident88.3Confident43 Ų4362.1 Ų62.126%0.26135%0.352SS..Hα-helixtrans-62.7-46.2172.8169.80000110.6V721 L722 A727 G728 Y732 L735 V740V721-V725 WeakPolarHBondContact O-CG2 3.43Å; V721-V725 PolarHBondContact O-N 3.29Å; L722-V725 PolarHBondContact O-N 3.25Å; V725-A727 VanDerWaalsContact C-N 3.29Å; V725-A727 PolarHBondContact O-N 3.19Å; V725-G728 PolarHBondContact O-N 2.99Å; V725-Y732 VanDerWaalsContact CG2-CB 3.49Å; V725-Y732 HydrophobicContact CG2-CG 4.2Å; V725-L735 HydrophobicContact CG2-CD1 4.1Å; V725-V740 HydrophobicContact CG1-CG1 4.45Å; V725-V740 HydrophobicContact CG1-CG2 3.98Å
726A87.7Confident88Confident91 Ų9165.5 Ų65.575%0.75237%0.372SS*.Hα-helixtrans-65.7-30.5178.500000113L722 D723 G728L722-A726 WeakPolarHBondContact O-CB 3.38Å; L722-A726 PolarHBondContact O-N 3.22Å; D723-A726 PolarHBondContact O-N 3Å; A726-G728 VanDerWaalsContact C-N 3.26Å; A726-G728 PolarHBondContact O-N 3.1Å
727A88.9Confident87.7Confident79 Ų7967.7 Ų67.765%0.65338%0.377SS*.THydrogen-bonded Turntrans-76.5-8.1172.500000113.9D723 S724 V725D723-A727 WeakPolarHBondContact O-CB 3.37Å; D723-A727 PolarHBondContact O-N 2.82Å; S724-A727 PolarHBondContact O-N 2.82Å; V725-A727 VanDerWaalsContact C-N 3.29Å; V725-A727 PolarHBondContact O-N 3.19Å
728G83.1Confident87.4Confident50 Ų5065 Ų6552%0.51538%0.383SS..THydrogen-bonded Turntrans71.333.9-176.500000113.5S724 V725 A726 P730S724-G728 PolarHBondContact O-N 3Å; V725-G728 PolarHBondContact O-N 2.99Å; A726-G728 VanDerWaalsContact C-N 3.26Å; A726-G728 PolarHBondContact O-N 3.1Å; G728-P730 WeakPolarHBondContact O-CD 3.45Å
729E83Confident87.3Confident88 Ų8867.1 Ų67.141%0.41139%0.392SS..  trans-68.2126.8176.5-72.8-158.9162.400111.8S724 T731 Y732S724-E729 WeakPolarHBondContact CB-OE2 3.42Å; S724-E729 WeakPolarHBondContact O-CB 3.1Å; S724-E729 PolarHBondContact O-N 2.78Å; S724-E729 PolarHBondContact OG-OE2 3.29Å; E729-T731 PolarHBondContact O-N 2.83Å; E729-Y732 PolarHBondContact O-N 3.48Å; E729-Y732 VanDerWaalsContact O-N 3.08Å
730P80.3Confident87.2Confident90 Ų9063.3 Ų63.358%0.58438%0.379SS*.THydrogen-bonded Turntrans-57.5-13.9-178.3-27.935.3000115.7G728 Y732 D733 K796G728-P730 WeakPolarHBondContact O-CD 3.45Å; P730-Y732 PolarHBondContact O-N 3.34Å; P730-D733 WeakPolarHBondContact CA-OD1 3.47Å; P730-D733 WeakPolarHBondContact CA-OD2 3.13Å; P730-K796 PolarHBondContact O-NZ 3.35Å
731T80.9Confident87.2Confident83 Ų8360.4 Ų60.451%0.50937%0.37SS..THydrogen-bonded Turntrans-63-28.3176.9-46.80000112.4E729 H734E729-T731 PolarHBondContact O-N 2.83Å; T731-H734 PolarHBondContact O-CE1 3.22Å; T731-H734 VanDerWaalsContact O-CE1 3.23Å
732Y83.8Confident87.3Confident51 Ų5164 Ų6420%0.239%0.386CS..SBendtrans-126.75.8-168.7-55.1-72000115.7V721 V725 E729 P730 H734 L735V721-Y732 HydrophobicContact CG1-CD1 3.79Å; V721-Y732 HydrophobicContact CG1-CD2 4.39Å; V721-Y732 HydrophobicContact CG1-CE1 3.67Å; V721-Y732 HydrophobicContact CG1-CE2 4.28Å; V721-Y732 HydrophobicContact CG1-CG 4.16Å; V721-Y732 HydrophobicContact CG2-CE1 4.32Å; V725-Y732 VanDerWaalsContact CG2-CB 3.49Å; V725-Y732 HydrophobicContact CG2-CG 4.2Å; E729-Y732 PolarHBondContact O-N 3.48Å; E729-Y732 VanDerWaalsContact O-N 3.08Å; P730-Y732 PolarHBondContact O-N 3.34Å; Y732-H734 PolarHBondContact O-N 2.86Å; Y732-L735 HydrophobicContact CD1-CD1 4.17Å; Y732-L735 WeakPolarHBondContact O-CB 3.34Å; Y732-L735 PolarHBondContact O-N 3.2Å
733D81.5Confident87.5Confident99 Ų9963.1 Ų63.153%0.52938%0.381SS..THydrogen-bonded Turntrans-51.5-22.5-179.6-52.7-27.8000115.2P730 K796P730-D733 WeakPolarHBondContact CA-OD1 3.47Å; P730-D733 WeakPolarHBondContact CA-OD2 3.13Å; D733-K796 IonicContact OD2-NZ 2.74Å; D733-K796 PolarHBondContact OD2-NZ 3.16Å
734H85.7Confident87.6Confident34 Ų3463 Ų6316%0.15738%0.378CS..THydrogen-bonded Turntrans-86.3-7.1-178.161.3-81.6000114.1T731 Y732 T736 T794 K796 P797T731-H734 PolarHBondContact O-CE1 3.22Å; T731-H734 VanDerWaalsContact O-CE1 3.23Å; Y732-H734 PolarHBondContact O-N 2.86Å; H734-T736 PolarHBondContact O-N 2.88Å; H734-T794 PolarHBondContact CE1-O 2.95Å; H734-T794 PolarHBondContact NE2-O 3.29Å; H734-K796 HydrophobicContact CB-CG 4.17Å; H734-K796 WeakPolarHBondContact ND1-CG 3.4Å; H734-P797 HydrophobicContact CB-CG 4.14Å
735L86.2Confident87.8Confident15 Ų1567 Ų678%0.07940%0.398CS..SBendtrans-69.8122.9172.6-63.2-174.9000109.2V721 V725 Y732 V740 I791V721-L735 HydrophobicContact CG1-CD1 4.32Å; V725-L735 HydrophobicContact CG2-CD1 4.1Å; Y732-L735 HydrophobicContact CD1-CD1 4.17Å; Y732-L735 WeakPolarHBondContact O-CB 3.34Å; Y732-L735 PolarHBondContact O-N 3.2Å; L735-V740 HydrophobicContact CB-CG2 4.2Å; L735-I791 HydrophobicContact CD2-CG2 4.05Å
736T88.5Confident88.1Confident74 Ų7466.5 Ų66.545%0.45439%0.393SS..  trans-68.7151.6177.561.50000110.8H734 A738 Q739 V740H734-T736 PolarHBondContact O-N 2.88Å; T736-A738 PolarHBondContact O-N 3.09Å; T736-A738 VanDerWaalsContact O-N 3.09Å; T736-Q739 WeakPolarHBondContact O-CA 3.45Å; T736-Q739 WeakPolarHBondContact O-CB 3.47Å; T736-Q739 PolarHBondContact O-N 3.49Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.33Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.16Å; T736-V740 PolarHBondContact O-N 2.72Å
737Q87.5Confident88.5Confident129 Ų12962.2 Ų62.260%0.60336%0.357SS*.Hα-helixtrans-54.8-33175.7-168.56555.600112.3V740 N741Q737-V740 PolarHBondContact O-N 2.99Å; Q737-N741 PolarHBondContact NE2-OD1 3.38Å; Q737-N741 WeakPolarHBondContact O-CB 3.35Å; Q737-N741 PolarHBondContact O-N 2.91Å; Q737-N741 PolarHBondContact O-OD1 2.88Å
738A89.7Confident88.8Confident72 Ų7262.5 Ų62.560%0.59535%0.35SS*.Hα-helixtrans-63.7-39.6174.500000112.8T736 Q742T736-A738 PolarHBondContact O-N 3.09Å; T736-A738 VanDerWaalsContact O-N 3.09Å; A738-Q742 VanDerWaalsContact O-CB 3.3Å; A738-Q742 WeakPolarHBondContact O-CB 3.35Å; A738-Q742 PolarHBondContact O-N 2.86Å
739Q91Very high89.4Confident44 Ų4465.1 Ų65.121%0.20635%0.349CS..Hα-helixtrans-69.7-38.7174.5-75.1166.3-61.700112.3T736 Q742 L743 I791T736-Q739 WeakPolarHBondContact O-CA 3.45Å; T736-Q739 WeakPolarHBondContact O-CB 3.47Å; T736-Q739 PolarHBondContact O-N 3.49Å; T736-Q739 WeakPolarHBondContact OG1-CG 3.33Å; T736-Q739 PolarHBondContact OG1-N 2.84Å; T736-Q739 PolarHBondContact OG1-OE1 3.16Å; Q739-Q742 PolarHBondContact O-N 2.91Å; Q739-L743 WeakPolarHBondContact O-CG 3.38Å; Q739-L743 PolarHBondContact O-N 3.01Å; Q739-I791 HydrophobicContact CB-CG2 3.78Å; Q739-I791 HydrophobicContact CG-CG2 4.13Å
740V91.1Very high90.1Very high10 Ų1061.9 Ų61.96%0.06133%0.334CS..Hα-helixtrans-61.6-52175.3176.70000110L722 V725 L735 T736 Q737 Q742 L743 E744L722-V740 HydrophobicContact CD2-CG1 3.79Å; V725-V740 HydrophobicContact CG1-CG1 4.45Å; V725-V740 HydrophobicContact CG1-CG2 3.98Å; L735-V740 HydrophobicContact CB-CG2 4.2Å; T736-V740 PolarHBondContact O-N 2.72Å; Q737-V740 PolarHBondContact O-N 2.99Å; V740-Q742 VanDerWaalsContact C-N 3.3Å; V740-Q742 PolarHBondContact O-N 2.81Å; V740-L743 PolarHBondContact O-N 3.3Å; V740-L743 VanDerWaalsContact O-N 3.11Å; V740-E744 PolarHBondContact O-N 2.9Å
741N93Very high90.8Very high70 Ų7060.4 Ų60.437%0.37432%0.319SS..Hα-helixtrans-58.2-41.2175.7-65.614.7000111.7Q737 L743 E744 D745Q737-N741 PolarHBondContact NE2-OD1 3.38Å; Q737-N741 WeakPolarHBondContact O-CB 3.35Å; Q737-N741 PolarHBondContact O-N 2.91Å; Q737-N741 PolarHBondContact O-OD1 2.88Å; N741-L743 VanDerWaalsContact C-N 3.34Å; N741-L743 PolarHBondContact O-N 3.42Å; N741-E744 PolarHBondContact O-N 2.88Å; N741-D745 WeakPolarHBondContact O-CB 3.26Å; N741-D745 PolarHBondContact O-N 3.11Å
742Q93.3Very high91.6Very high84 Ų8459.4 Ų59.439%0.39331%0.313SS..Hα-helixtrans-62.7-39.1177.2-175.1177.87.100112.2A738 Q739 V740 M746 I791A738-Q742 VanDerWaalsContact O-CB 3.3Å; A738-Q742 WeakPolarHBondContact O-CB 3.35Å; A738-Q742 PolarHBondContact O-N 2.86Å; Q739-Q742 PolarHBondContact O-N 2.91Å; V740-Q742 VanDerWaalsContact C-N 3.3Å; V740-Q742 PolarHBondContact O-N 2.81Å; Q742-M746 WeakPolarHBondContact O-CB 3.45Å; Q742-M746 WeakPolarHBondContact O-CG 3.1Å; Q742-M746 PolarHBondContact O-N 3.19Å; Q742-I791 HydrophobicContact CG-CD1 4.35Å
743L93.8Very high92.2Very high1 Ų159.5 Ų59.51%0.00531%0.313CS..Hα-helixtrans-67.6-39.7174.7-71.2179000111.9I718 L722 Q739 V740 N741 I747 C788 I791 I792I718-L743 HydrophobicContact CG2-CB 4.33Å; I718-L743 HydrophobicContact CG2-CD2 3.86Å; I718-L743 HydrophobicContact CG2-CG 4.46Å; L722-L743 HydrophobicContact CD1-CB 4.32Å; L722-L743 HydrophobicContact CD2-CB 3.95Å; L722-L743 HydrophobicContact CD2-CD1 4.4Å; L722-L743 HydrophobicContact CG-CB 4.35Å; Q739-L743 WeakPolarHBondContact O-CG 3.38Å; Q739-L743 PolarHBondContact O-N 3.01Å; V740-L743 PolarHBondContact O-N 3.3Å; V740-L743 VanDerWaalsContact O-N 3.11Å; N741-L743 VanDerWaalsContact C-N 3.34Å; N741-L743 PolarHBondContact O-N 3.42Å; L743-I747 WeakPolarHBondContact O-CG1 3.25Å; L743-I747 PolarHBondContact O-N 3Å; L743-C788 HydrophobicContact CD2-CB 3.72Å; L743-I791 HydrophobicContact CD1-CB 4.44Å; L743-I791 HydrophobicContact CD1-CG2 3.76Å; L743-I791 HydrophobicContact CD2-CB 4.17Å; L743-I791 HydrophobicContact CD2-CD1 4.11Å; L743-I791 HydrophobicContact CD2-CG2 4.28Å; L743-I791 HydrophobicContact CG-CB 4.43Å; L743-I791 HydrophobicContact CG-CD1 4.35Å; L743-I791 HydrophobicContact CG-CG2 4Å; L743-I792 HydrophobicContact CD1-CG2 3.71Å; L743-I792 HydrophobicContact CD2-CG2 4.14Å
744E93.7Very high92.9Very high94 Ų9455 Ų5544%0.43929%0.288SS..Hα-helixtrans-60.2-51.1173.7-72.6176174.800111.5L722 V740 N741 M746 I747 V748L722-E744 HydrophobicContact CD1-CG 3.72Å; L722-E744 HydrophobicContact CD2-CG 4.02Å; L722-E744 HydrophobicContact CG-CG 4.5Å; V740-E744 PolarHBondContact O-N 2.9Å; N741-E744 PolarHBondContact O-N 2.88Å; E744-M746 PolarHBondContact O-N 3.34Å; E744-I747 PolarHBondContact O-N 2.92Å; E744-V748 WeakPolarHBondContact O-CG2 3.45Å; E744-V748 PolarHBondContact O-N 3.13Å
745D94.2Very high93.3Very high107 Ų10757.7 Ų57.757%0.57230%0.304SS*.Hα-helixtrans-58.1-44.5177.9-76.9-25.1000111.8N741 V748 Q749N741-D745 WeakPolarHBondContact O-CB 3.26Å; N741-D745 PolarHBondContact O-N 3.11Å; D745-V748 PolarHBondContact O-N 3.36Å; D745-Q749 VanDerWaalsContact O-CB 3.28Å; D745-Q749 WeakPolarHBondContact O-CB 3.21Å; D745-Q749 PolarHBondContact O-N 3.24Å
746M93.7Very high93.8Very high31 Ų3161.9 Ų61.915%0.15332%0.323CS..Hα-helixtrans-63.2-46.7177.1-70.5-60.894.800111.9Q742 E744 V748 Q749 Y750 V787Q742-M746 WeakPolarHBondContact O-CB 3.45Å; Q742-M746 WeakPolarHBondContact O-CG 3.1Å; Q742-M746 PolarHBondContact O-N 3.19Å; E744-M746 PolarHBondContact O-N 3.34Å; M746-V748 VanDerWaalsContact C-N 3.35Å; M746-V748 PolarHBondContact O-N 2.94Å; M746-Q749 PolarHBondContact O-N 2.85Å; M746-Y750 HydrophobicContact CB-CD2 4.4Å; M746-Y750 VanDerWaalsContact O-CD2 3.22Å; M746-Y750 WeakPolarHBondContact O-CD2 3.37Å; M746-Y750 PolarHBondContact O-N 2.66Å; M746-Y750 HydrophobicContact SD-CE2 3.89Å; M746-V787 HydrophobicContact CG-CG1 4.27Å; M746-V787 HydrophobicContact SD-CG1 4.36Å
747I95.1Very high94.2Very high2 Ų260 Ų601%0.0131%0.31CS..Hα-helixtrans-58.6-49.4177.1-69.4173.9000110.1L715 I718 R719 L722 L743 E744 Q749 Y750 E751L715-I747 HydrophobicContact CD2-CB 4.41Å; L715-I747 HydrophobicContact CD2-CG1 4.41Å; L715-I747 HydrophobicContact CD2-CG2 4.12Å; I718-I747 HydrophobicContact CB-CD1 3.99Å; I718-I747 HydrophobicContact CB-CG1 4.21Å; I718-I747 HydrophobicContact CG2-CD1 3.78Å; I718-I747 HydrophobicContact CG2-CG1 4.01Å; R719-I747 HydrophobicContact CB-CD1 3.99Å; L722-I747 HydrophobicContact CD1-CD1 3.53Å; L743-I747 WeakPolarHBondContact O-CG1 3.25Å; L743-I747 PolarHBondContact O-N 3Å; E744-I747 PolarHBondContact O-N 2.92Å; I747-Q749 VanDerWaalsContact C-N 3.33Å; I747-Q749 PolarHBondContact O-N 2.63Å; I747-Y750 PolarHBondContact O-N 3.3Å; I747-E751 WeakPolarHBondContact O-CB 3.2Å; I747-E751 PolarHBondContact O-N 3.25Å
748V95.4Very high94.5Very high84 Ų8455.1 Ų55.151%0.50929%0.287SS..Hα-helixtrans-60.8-43.2-179.4173.40000111.1E744 D745 M746 T752E744-V748 WeakPolarHBondContact O-CG2 3.45Å; E744-V748 PolarHBondContact O-N 3.13Å; D745-V748 PolarHBondContact O-N 3.36Å; M746-V748 VanDerWaalsContact C-N 3.35Å; M746-V748 PolarHBondContact O-N 2.94Å; V748-T752 WeakPolarHBondContact O-CB 3.17Å; V748-T752 PolarHBondContact O-N 2.76Å; V748-T752 PolarHBondContact O-OG1 3.14Å
749Q96.1Very high94.8Very high106 Ų10658.8 Ų58.850%0.49529%0.293SS..Hα-helixtrans-60-53.2177.5178.4-179.1-10.500111.9D745 M746 I747 T752 W753D745-Q749 VanDerWaalsContact O-CB 3.28Å; D745-Q749 WeakPolarHBondContact O-CB 3.21Å; D745-Q749 PolarHBondContact O-N 3.24Å; M746-Q749 PolarHBondContact O-N 2.85Å; I747-Q749 VanDerWaalsContact C-N 3.33Å; I747-Q749 PolarHBondContact O-N 2.63Å; Q749-T752 PolarHBondContact O-N 3.29Å; Q749-W753 WeakPolarHBondContact O-CB 3.34Å; Q749-W753 PolarHBondContact O-N 2.89Å
750Y97Very high95Very high20 Ų2061.5 Ų61.58%0.07831%0.306CS..Hα-helixtrans-76.7-34.8-173.4-76.9-72.7000113F711 M746 I747 W753 L754 Q780 A783 M784F711-Y750 AromaticContact CZ-CD1 3.92Å; F711-Y750 HydrophobicContact CZ-CD1 3.92Å; F711-Y750 HydrophobicContact CZ-CG 4.26Å; M746-Y750 HydrophobicContact CB-CD2 4.4Å; M746-Y750 VanDerWaalsContact O-CD2 3.22Å; M746-Y750 WeakPolarHBondContact O-CD2 3.37Å; M746-Y750 PolarHBondContact O-N 2.66Å; M746-Y750 HydrophobicContact SD-CE2 3.89Å; I747-Y750 PolarHBondContact O-N 3.3Å; Y750-W753 PolarHBondContact O-N 2.77Å; Y750-L754 WeakPolarHBondContact O-CB 3.29Å; Y750-L754 PolarHBondContact O-N 3.26Å; Y750-Q780 HydrophobicContact CD1-CB 4.43Å; Y750-Q780 HydrophobicContact CE1-CB 4.26Å; Y750-Q780 WeakPolarHBondContact CE1-O 3.19Å; Y750-A783 WeakPolarHBondContact OH-CB 3.37Å; Y750-M784 HydrophobicContact CD1-CB 4.08Å; Y750-M784 HydrophobicContact CD2-CB 3.53Å; Y750-M784 HydrophobicContact CD2-CG 3.51Å; Y750-M784 HydrophobicContact CD2-SD 4.07Å; Y750-M784 HydrophobicContact CE1-CB 4.04Å; Y750-M784 HydrophobicContact CE2-CB 3.52Å; Y750-M784 HydrophobicContact CE2-CG 3.89Å; Y750-M784 HydrophobicContact CG-CB 3.83Å; Y750-M784 HydrophobicContact CG-CG 3.99Å; Y750-M784 HydrophobicContact CG-SD 4.05Å; Y750-M784 PolarHBondContact OH-N 2.99Å
751E96.1Very high95.1Very high58 Ų5861.9 Ų61.927%0.27131%0.307SS..Hα-helixtrans-64.4-41.9170.7-173.1171-142.400110.7L715 R719 I747 N755L715-E751 HydrophobicContact CD1-CB 4.09Å; L715-E751 HydrophobicContact CD1-CG 4.49Å; L715-E751 HydrophobicContact CD2-CB 4.44Å; R719-E751 IonicContact CZ-OE1 3.23Å; R719-E751 IonicContact CZ-OE2 3.89Å; R719-E751 VanDerWaalsContact NH1-CD 3.35Å; R719-E751 IonicContact NH1-OE1 3.99Å; R719-E751 PolarHBondContact NH1-OE1 2.91Å; R719-E751 IonicContact NH1-OE2 2.91Å; R719-E751 PolarHBondContact NH1-OE2 2.81Å; R719-E751 VanDerWaalsContact NH1-OE2 3.08Å; R719-E751 IonicContact NH2-OE1 3.43Å; R719-E751 IonicContact NH2-OE2 3.21Å; R719-E751 PolarHBondContact NH2-OE2 3.01Å; I747-E751 WeakPolarHBondContact O-CB 3.2Å; I747-E751 PolarHBondContact O-N 3.25Å; E751-N755 VanDerWaalsContact O-CB 3.3Å; E751-N755 WeakPolarHBondContact O-CB 3.22Å; E751-N755 VanDerWaalsContact O-CG 3.24Å; E751-N755 PolarHBondContact O-N 3.25Å; E751-N755 PolarHBondContact O-ND2 2.9Å
752T96.3Very high95.1Very high62 Ų6264.5 Ų64.538%0.3832%0.321SS..Hα-helixtrans-63.7-45.5173.7-620000111.7V748 Q749 N755 Q756V748-T752 WeakPolarHBondContact O-CB 3.17Å; V748-T752 PolarHBondContact O-N 2.76Å; V748-T752 PolarHBondContact O-OG1 3.14Å; Q749-T752 PolarHBondContact O-N 3.29Å; T752-N755 PolarHBondContact O-N 3.04Å; T752-Q756 HydrophobicContact CG2-CG 4.36Å; T752-Q756 WeakPolarHBondContact O-CB 2.99Å; T752-Q756 VanDerWaalsContact O-CG 3.27Å; T752-Q756 WeakPolarHBondContact O-CG 3.34Å; T752-Q756 PolarHBondContact O-N 2.89Å
753W96.5Very high95.1Very high53 Ų5365.5 Ų65.520%0.20134%0.335CS..Hα-helixtrans-59.7-50.9177.1176.786.7000111.5F711 Q749 Y750 N755 Q756 Q757 V772 I777 Q780F711-W753 HydrophobicContact CE2-CE3 4.43Å; F711-W753 HydrophobicContact CE2-CZ3 4.12Å; Q749-W753 WeakPolarHBondContact O-CB 3.34Å; Q749-W753 PolarHBondContact O-N 2.89Å; Y750-W753 PolarHBondContact O-N 2.77Å; W753-N755 VanDerWaalsContact C-N 3.33Å; W753-N755 PolarHBondContact O-N 3.02Å; W753-Q756 PolarHBondContact O-N 3.38Å; W753-Q757 HydrophobicContact CD2-CG 3.93Å; W753-Q757 VanDerWaalsContact CE2-CG 3.48Å; W753-Q757 HydrophobicContact CE3-CG 4.39Å; W753-Q757 HydrophobicContact CG-CG 4.45Å; W753-Q757 HydrophobicContact CH2-CG 4.05Å; W753-Q757 HydrophobicContact CZ2-CG 3.55Å; W753-Q757 HydrophobicContact CZ3-CG 4.44Å; W753-Q757 WeakPolarHBondContact O-CG 3.23Å; W753-Q757 PolarHBondContact O-N 3.1Å; W753-V772 HydrophobicContact CH2-CG2 4.04Å; W753-V772 HydrophobicContact CZ2-CG2 4.32Å; W753-I777 HydrophobicContact CH2-CG1 4.31Å; W753-Q780 HydrophobicContact CD2-CG 4.21Å; W753-Q780 HydrophobicContact CE3-CB 4.12Å; W753-Q780 HydrophobicContact CE3-CG 4.16Å; W753-Q780 HydrophobicContact CH2-CB 3.95Å; W753-Q780 HydrophobicContact CH2-CG 3.56Å; W753-Q780 HydrophobicContact CZ2-CB 4.42Å; W753-Q780 HydrophobicContact CZ2-CG 3.58Å; W753-Q780 HydrophobicContact CZ3-CB 3.77Å; W753-Q780 HydrophobicContact CZ3-CG 3.85Å
754L96.4Very high95Very high4 Ų470.9 Ų70.92%0.02136%0.355CS..Hα-helixtrans-60.7-43.6-178.5-175.763.9000111.3V708 F711 N712 Y750 Q757 M758 I777V708-L754 HydrophobicContact CG1-CD2 4.41Å; V708-L754 HydrophobicContact CG2-CD1 4.38Å; F711-L754 HydrophobicContact CB-CD2 4.15Å; F711-L754 HydrophobicContact CD1-CD2 3.75Å; F711-L754 HydrophobicContact CE1-CD2 4.38Å; F711-L754 HydrophobicContact CG-CD2 3.94Å; N712-L754 WeakPolarHBondContact OD1-CD2 3.43Å; Y750-L754 WeakPolarHBondContact O-CB 3.29Å; Y750-L754 PolarHBondContact O-N 3.26Å; L754-Q757 PolarHBondContact O-N 3.35Å; L754-M758 HydrophobicContact CD1-CG 4.4Å; L754-M758 WeakPolarHBondContact O-CB 3.47Å; L754-M758 VanDerWaalsContact O-CG 3.27Å; L754-M758 WeakPolarHBondContact O-CG 3.13Å; L754-M758 PolarHBondContact O-N 3.48Å; L754-I777 HydrophobicContact CD1-CG2 4.47Å
755N95.7Very high94.9Very high91 Ų9170 Ų7049%0.48736%0.357SS..Hα-helixtrans-63.9-42.3175.7-74.5-38.4000112.2E751 T752 W753 M758 M759E751-N755 VanDerWaalsContact O-CB 3.3Å; E751-N755 WeakPolarHBondContact O-CB 3.22Å; E751-N755 VanDerWaalsContact O-CG 3.24Å; E751-N755 PolarHBondContact O-N 3.25Å; E751-N755 PolarHBondContact O-ND2 2.9Å; T752-N755 PolarHBondContact O-N 3.04Å; W753-N755 VanDerWaalsContact C-N 3.33Å; W753-N755 PolarHBondContact O-N 3.02Å; N755-M758 PolarHBondContact O-N 3.3Å; N755-M759 WeakPolarHBondContact O-CB 3.3Å; N755-M759 WeakPolarHBondContact O-CG 3.32Å; N755-M759 PolarHBondContact O-N 3.22Å
756Q96.1Very high94.8Very high104 Ų10468.8 Ų68.849%0.48635%0.348SS..Hα-helixtrans-63.6-42.4175.8-76.3176.86.100112.6T752 W753 M758 Q760T752-Q756 HydrophobicContact CG2-CG 4.36Å; T752-Q756 WeakPolarHBondContact O-CB 2.99Å; T752-Q756 VanDerWaalsContact O-CG 3.27Å; T752-Q756 WeakPolarHBondContact O-CG 3.34Å; T752-Q756 PolarHBondContact O-N 2.89Å; W753-Q756 PolarHBondContact O-N 3.38Å; Q756-M758 VanDerWaalsContact C-N 3.33Å; Q756-Q760 WeakPolarHBondContact O-CG 3.39Å; Q756-Q760 PolarHBondContact O-N 3.2Å; Q756-Q760 PolarHBondContact O-NE2 3.46Å
757Q96Very high94.8Very high35 Ų3569.3 Ų69.316%0.16435%0.354CS..Hα-helixtrans-64.4-39.3175.1-67.1-53.3-36.400111.3W753 L754 Q760 Q761 V772W753-Q757 HydrophobicContact CD2-CG 3.93Å; W753-Q757 VanDerWaalsContact CE2-CG 3.48Å; W753-Q757 HydrophobicContact CE3-CG 4.39Å; W753-Q757 HydrophobicContact CG-CG 4.45Å; W753-Q757 HydrophobicContact CH2-CG 4.05Å; W753-Q757 HydrophobicContact CZ2-CG 3.55Å; W753-Q757 HydrophobicContact CZ3-CG 4.44Å; W753-Q757 WeakPolarHBondContact O-CG 3.23Å; W753-Q757 PolarHBondContact O-N 3.1Å; L754-Q757 PolarHBondContact O-N 3.35Å; Q757-Q760 PolarHBondContact O-N 2.93Å; Q757-Q761 WeakPolarHBondContact O-CA 3.08Å; Q757-Q761 PolarHBondContact O-N 3.46Å; Q757-V772 HydrophobicContact CB-CB 4.06Å; Q757-V772 HydrophobicContact CB-CG1 4.09Å; Q757-V772 HydrophobicContact CB-CG2 4.15Å; Q757-V772 HydrophobicContact CG-CB 4.4Å; Q757-V772 HydrophobicContact CG-CG2 4.18Å
758M95.2Very high94.7Very high25 Ų2571.3 Ų71.312%0.12337%0.368CS..Hα-helixtrans-78.4-27.1-179.2-67.2-88.454.200113.8V708 L754 N755 Q756 Q761 N762 V772V708-M758 HydrophobicContact CG2-CG 4.49Å; V708-M758 HydrophobicContact CG2-SD 3.57Å; V708-M758 VanDerWaalsContact CG2-SD 3.57Å; L754-M758 HydrophobicContact CD1-CG 4.4Å; L754-M758 WeakPolarHBondContact O-CB 3.47Å; L754-M758 VanDerWaalsContact O-CG 3.27Å; L754-M758 WeakPolarHBondContact O-CG 3.13Å; L754-M758 PolarHBondContact O-N 3.48Å; N755-M758 PolarHBondContact O-N 3.3Å; Q756-M758 VanDerWaalsContact C-N 3.33Å; M758-Q761 HydrophobicContact CE-CB 4.28Å; M758-Q761 HydrophobicContact CE-CG 3.73Å; M758-Q761 WeakPolarHBondContact O-CA 3.24Å; M758-Q761 PolarHBondContact O-N 2.89Å; M758-N762 WeakPolarHBondContact CE-OD1 3.18Å; M758-N762 WeakPolarHBondContact O-CB 3.17Å; M758-N762 PolarHBondContact O-N 2.86Å; M758-N762 PolarHBondContact O-ND2 3.43Å; M758-N762 PolarHBondContact O-OD1 3.38Å; M758-V772 HydrophobicContact CE-CG1 4.39Å
759M95.2Very high94.5Very high149 Ų14971.4 Ų71.473%0.73437%0.366SS*.Hα-helixtrans-65.6-36168.4-78.4-176.668.500112.6N755 P763N755-M759 WeakPolarHBondContact O-CB 3.3Å; N755-M759 WeakPolarHBondContact O-CG 3.32Å; N755-M759 PolarHBondContact O-N 3.22Å; M759-P763 WeakPolarHBondContact O-CD 3.32Å; M759-P763 WeakPolarHBondContact O-CG 3.19Å
760Q94.1Very high94.4Very high102 Ų10267.3 Ų67.348%0.47735%0.348SS..Hα-helixtrans-75.7-33169.9-65.6172.367.400111.4Q756 Q757 V771Q756-Q760 WeakPolarHBondContact O-CG 3.39Å; Q756-Q760 PolarHBondContact O-N 3.2Å; Q756-Q760 PolarHBondContact O-NE2 3.46Å; Q757-Q760 PolarHBondContact O-N 2.93Å; Q760-V771 HydrophobicContact CB-CG1 4.05Å
761Q94.3Very high94.2Very high17 Ų1768.5 Ų68.58%0.07936%0.357CS..Hα-helixtrans-50.2-71.9173.6165.1147.877.900114.7Q757 M758 P763 R764 V771 V772Q757-Q761 WeakPolarHBondContact O-CA 3.08Å; Q757-Q761 PolarHBondContact O-N 3.46Å; M758-Q761 HydrophobicContact CE-CB 4.28Å; M758-Q761 HydrophobicContact CE-CG 3.73Å; M758-Q761 WeakPolarHBondContact O-CA 3.24Å; M758-Q761 PolarHBondContact O-N 2.89Å; Q761-P763 VanDerWaalsContact C-CD 3.47Å; Q761-R764 PolarHBondContact O-N 2.88Å; Q761-V771 HydrophobicContact CB-CB 4.02Å; Q761-V771 HydrophobicContact CB-CG2 4.37Å; Q761-V772 HydrophobicContact CB-CG1 4.48Å; Q761-V772 HydrophobicContact CG-CG1 4.28Å
762N92.8Very high94.1Very high126 Ų12665.9 Ų65.967%0.67435%0.345SS*.THydrogen-bonded Turntrans-66.3-31.9-161.5-63.4-16.6000116.3M758 R764M758-N762 WeakPolarHBondContact CE-OD1 3.18Å; M758-N762 WeakPolarHBondContact O-CB 3.17Å; M758-N762 PolarHBondContact O-N 2.86Å; M758-N762 PolarHBondContact O-ND2 3.43Å; M758-N762 PolarHBondContact O-OD1 3.38Å; N762-R764 VanDerWaalsContact C-N 3.28Å; N762-R764 PolarHBondContact O-N 3.06Å
763P93.3Very high94.1Very high104 Ų10467 Ų6768%0.67535%0.345SS*.THydrogen-bonded Turntrans-80.2-4.2178.532.3-35.8000113.8M759 Q761M759-P763 WeakPolarHBondContact O-CD 3.32Å; M759-P763 WeakPolarHBondContact O-CG 3.19Å; Q761-P763 VanDerWaalsContact C-CD 3.47Å
764R91.1Very high94.1Very high114 Ų11465.7 Ų65.743%0.4334%0.343SS..SBendtrans-75.6139177.6-82.6-163.7166-165.6-5.6112.1Q761 N762 D769 V771Q761-R764 PolarHBondContact O-N 2.88Å; N762-R764 VanDerWaalsContact C-N 3.28Å; N762-R764 PolarHBondContact O-N 3.06Å; R764-D769 PolarHBondContact NH1-O 2.99Å; R764-V771 VanDerWaalsContact CZ-CG2 3.46Å
765P91.9Very high94.1Very high75 Ų7569.3 Ų69.349%0.48737%0.365SS..  trans-55.7145.2167.2-23.834.1000111.9T767 S768P765-T767 WeakPolarHBondContact CB-OG1 3.3Å; P765-T767 PolarHBondContact O-N 3.25Å; P765-T767 VanDerWaalsContact O-N 3.11Å; P765-S768 WeakPolarHBondContact O-CB 3.28Å; P765-S768 PolarHBondContact O-N 2.98Å
766Q93Very high94.1Very high82 Ų8268 Ų6838%0.38336%0.358SS..THydrogen-bonded Turntrans-58.6-20.9172.2-78173-28.400113.1P647 F648 H701 S768P647-Q766 VanDerWaalsContact O-CB 3.3Å; P647-Q766 WeakPolarHBondContact O-CB 3.42Å; F648-Q766 HydrophobicContact CD1-CB 3.84Å; F648-Q766 HydrophobicContact CD1-CG 4.32Å; F648-Q766 HydrophobicContact CE1-CB 4.07Å; F648-Q766 HydrophobicContact CE1-CG 4.04Å; H701-Q766 PolarHBondContact CE1-NE2 2.82Å; H701-Q766 VanDerWaalsContact CE1-NE2 3.25Å; H701-Q766 PolarHBondContact NE2-NE2 3.4Å; Q766-S768 VanDerWaalsContact C-N 3.32Å
767T93.4Very high94.1Very high43 Ų4363.1 Ų63.126%0.26434%0.335SS..THydrogen-bonded Turntrans-81.9-4.9176.363.60000114.2T649 R697 P765T649-T767 VanDerWaalsContact O-CG2 3.28Å; T649-T767 WeakPolarHBondContact O-CG2 3.48Å; R697-T767 WeakPolarHBondContact CD-O 3.45Å; R697-T767 PolarHBondContact NE-O 3.33Å; R697-T767 PolarHBondContact NH1-O 3.41Å; R697-T767 VanDerWaalsContact NH1-O 3.16Å; P765-T767 WeakPolarHBondContact CB-OG1 3.3Å; P765-T767 PolarHBondContact O-N 3.25Å; P765-T767 VanDerWaalsContact O-N 3.11Å
768S92.4Very high94.2Very high44 Ų4464.6 Ų64.631%0.30834%0.343SS..SBendtrans-99146.2176.9-61.80000111.2P765 Q766P765-S768 WeakPolarHBondContact O-CB 3.28Å; P765-S768 PolarHBondContact O-N 2.98Å; Q766-S768 VanDerWaalsContact C-N 3.32Å
769D91.7Very high94.3Very high86 Ų8666.5 Ų66.546%0.4636%0.359SS..PPolyproline II helixtrans-58.4147.4174.2-64.5-10.4000111.1R697 R764R697-D769 IonicContact CZ-OD1 3.13Å; R697-D769 IonicContact NE-OD1 2.7Å; R697-D769 PolarHBondContact NE-OD1 3.11Å; R697-D769 IonicContact NH2-OD1 3.38Å; R764-D769 PolarHBondContact NH1-O 2.99Å
770P93.5Very high94.3Very high19 Ų1962.6 Ų62.612%0.12334%0.339CS..PPolyproline II helixtrans-68.9147.4-176.129.5-37000112.8E700 R704 K773E700-P770 HydrophobicContact CB-CG 4.35Å; E700-P770 HydrophobicContact CG-CG 4.12Å; R704-P770 VanDerWaalsContact NH2-CB 3.33Å; P770-K773 HydrophobicContact CG-CG 4.13Å
771V92.7Very high94.5Very high46 Ų4659.1 Ų59.128%0.27932%0.323SS..SBendtrans-79.6-38.2168.6173.80000110.2Q760 Q761 R764Q760-V771 HydrophobicContact CB-CG1 4.05Å; Q761-V771 HydrophobicContact CB-CB 4.02Å; Q761-V771 HydrophobicContact CB-CG2 4.37Å; R764-V771 VanDerWaalsContact CZ-CG2 3.46Å
772V94.2Very high94.6Very high2 Ų264 Ų641%0.01235%0.346CS..SBendtrans-126.3121.4179.366.30000109.2R704 W753 Q757 M758 Q761 D776 I777R704-V772 PolarHBondContact NE-O 3.35Å; W753-V772 HydrophobicContact CH2-CG2 4.04Å; W753-V772 HydrophobicContact CZ2-CG2 4.32Å; Q757-V772 HydrophobicContact CB-CB 4.06Å; Q757-V772 HydrophobicContact CB-CG1 4.09Å; Q757-V772 HydrophobicContact CB-CG2 4.15Å; Q757-V772 HydrophobicContact CG-CB 4.4Å; Q757-V772 HydrophobicContact CG-CG2 4.18Å; M758-V772 HydrophobicContact CE-CG1 4.39Å; Q761-V772 HydrophobicContact CB-CG1 4.48Å; Q761-V772 HydrophobicContact CG-CG1 4.28Å; V772-D776 HydrophobicContact CG2-CB 4.06Å; V772-I777 HydrophobicContact CG1-CD1 4.37Å; V772-I777 HydrophobicContact CG2-CD1 4.19Å; V772-I777 HydrophobicContact CG2-CG1 3.72Å
773K96Very high94.7Very high87 Ų8759.7 Ų59.738%0.37833%0.328SS..  trans-83.9156.2178.7-61.6-177.7178.3-174.10111E700 P770 T775 D776 I777E700-K773 VanDerWaalsContact OE2-CA 3.25Å; E700-K773 WeakPolarHBondContact OE2-CA 3.35Å; P770-K773 HydrophobicContact CG-CG 4.13Å; K773-T775 WeakPolarHBondContact CB-OG1 3.47Å; K773-T775 PolarHBondContact O-N 3.27Å; K773-D776 WeakPolarHBondContact CB-OD2 3.15Å; K773-D776 PolarHBondContact N-OD2 2.82Å; K773-D776 WeakPolarHBondContact O-CB 3.3Å; K773-D776 PolarHBondContact O-N 3.14Å; K773-I777 PolarHBondContact O-N 3.24Å
774V96.8Very high94.9Very high25 Ų2554.8 Ų54.815%0.15230%0.296CS..Hα-helixtrans-51.9-40.6170.7170.30000111.2E700 N703 R704 A707 D776 I777 I778E700-V774 PolarHBondContact OE1-N 2.97Å; E700-V774 PolarHBondContact OE2-N 3.29Å; N703-V774 HydrophobicContact CB-CG2 3.83Å; R704-V774 HydrophobicContact CB-CG2 4.2Å; A707-V774 HydrophobicContact CB-CG1 4.23Å; V774-D776 VanDerWaalsContact C-N 3.31Å; V774-D776 PolarHBondContact O-N 3.17Å; V774-I777 PolarHBondContact O-N 3Å; V774-I778 HydrophobicContact CG1-CD1 3.73Å; V774-I778 WeakPolarHBondContact O-CG1 3.47Å; V774-I778 PolarHBondContact O-N 3.44Å; V774-I778 VanDerWaalsContact O-N 3.1Å
775T96.3Very high95.1Very high80 Ų8051.1 Ų51.149%0.49128%0.283SS..Hα-helixtrans-61.2-35.9176.651.70000113.4K773 S779K773-T775 WeakPolarHBondContact CB-OG1 3.47Å; K773-T775 PolarHBondContact O-N 3.27Å; T775-S779 VanDerWaalsContact O-CB 3.32Å; T775-S779 WeakPolarHBondContact O-CB 3.46Å; T775-S779 PolarHBondContact O-N 3.28Å; T775-S779 PolarHBondContact O-OG 3.13Å
776D96.1Very high95.2Very high64 Ų6451.4 Ų51.434%0.34229%0.287SS..Hα-helixtrans-73-41.8-176.5-50.5-28.5000110V772 K773 V774 S779 Q780V772-D776 HydrophobicContact CG2-CB 4.06Å; K773-D776 WeakPolarHBondContact CB-OD2 3.15Å; K773-D776 PolarHBondContact N-OD2 2.82Å; K773-D776 WeakPolarHBondContact O-CB 3.3Å; K773-D776 PolarHBondContact O-N 3.14Å; V774-D776 VanDerWaalsContact C-N 3.31Å; V774-D776 PolarHBondContact O-N 3.17Å; D776-S779 PolarHBondContact O-N 3.27Å; D776-Q780 WeakPolarHBondContact O-CG 3.32Å; D776-Q780 PolarHBondContact O-N 3.3Å
777I97.1Very high95.3Very high0 Ų049.8 Ų49.80%028%0.283CS..Hα-helixtrans-61.8-48.5175.7-62.7168.3000110.3R704 A707 V708 F711 W753 L754 V772 K773 V774 S779 Q780 Q781R704-I777 HydrophobicContact CG-CD1 3.62Å; A707-I777 HydrophobicContact CB-CB 4.25Å; A707-I777 HydrophobicContact CB-CD1 4.46Å; A707-I777 HydrophobicContact CB-CG2 3.9Å; V708-I777 HydrophobicContact CG2-CD1 3.89Å; F711-I777 HydrophobicContact CB-CG2 4.2Å; F711-I777 HydrophobicContact CD2-CG2 3.74Å; F711-I777 WeakPolarHBondContact CD2-O 3.28Å; F711-I777 HydrophobicContact CG-CG2 4.42Å; W753-I777 HydrophobicContact CH2-CG1 4.31Å; L754-I777 HydrophobicContact CD1-CG2 4.47Å; V772-I777 HydrophobicContact CG1-CD1 4.37Å; V772-I777 HydrophobicContact CG2-CD1 4.19Å; V772-I777 HydrophobicContact CG2-CG1 3.72Å; K773-I777 PolarHBondContact O-N 3.24Å; V774-I777 PolarHBondContact O-N 3Å; I777-S779 VanDerWaalsContact C-N 3.32Å; I777-S779 PolarHBondContact O-N 3.46Å; I777-Q780 PolarHBondContact O-N 3.26Å; I777-Q781 WeakPolarHBondContact O-CB 3.38Å; I777-Q781 PolarHBondContact O-N 3.47Å
778I96.8Very high95.3Very high66 Ų6647.7 Ų47.734%0.33827%0.27SS..Hα-helixtrans-61.6-41.3177.8-66.8168.7000110.8A707 V774 Q781 Q782A707-I778 HydrophobicContact CB-CG1 4.49Å; V774-I778 HydrophobicContact CG1-CD1 3.73Å; V774-I778 WeakPolarHBondContact O-CG1 3.47Å; V774-I778 PolarHBondContact O-N 3.44Å; V774-I778 VanDerWaalsContact O-N 3.1Å; I778-Q781 WeakPolarHBondContact O-CB 3.33Å; I778-Q781 PolarHBondContact O-N 2.89Å; I778-Q782 WeakPolarHBondContact O-CG 3.29Å; I778-Q782 PolarHBondContact O-N 3.48Å
779S97Very high95.3Very high65 Ų6547.8 Ų47.846%0.45527%0.265SS..Hα-helixtrans-65.4-42.5179.3-59.20000112.2T775 D776 I777 Q782 A783T775-S779 VanDerWaalsContact O-CB 3.32Å; T775-S779 WeakPolarHBondContact O-CB 3.46Å; T775-S779 PolarHBondContact O-N 3.28Å; T775-S779 PolarHBondContact O-OG 3.13Å; D776-S779 PolarHBondContact O-N 3.27Å; I777-S779 VanDerWaalsContact C-N 3.32Å; I777-S779 PolarHBondContact O-N 3.46Å; S779-Q782 PolarHBondContact O-N 3.11Å; S779-A783 WeakPolarHBondContact O-CB 3.47Å; S779-A783 PolarHBondContact O-N 2.7Å
780Q96.9Very high95.3Very high68 Ų6847.5 Ų47.532%0.31827%0.268SS..Hα-helixtrans-69.7-35175.7-66.3-59.1-33.800112.2F711 Y750 W753 D776 I777 A783 M784F711-Q780 HydrophobicContact CE2-CB 3.85Å; F711-Q780 HydrophobicContact CZ-CB 4.42Å; Y750-Q780 HydrophobicContact CD1-CB 4.43Å; Y750-Q780 HydrophobicContact CE1-CB 4.26Å; Y750-Q780 WeakPolarHBondContact CE1-O 3.19Å; W753-Q780 HydrophobicContact CD2-CG 4.21Å; W753-Q780 HydrophobicContact CE3-CB 4.12Å; W753-Q780 HydrophobicContact CE3-CG 4.16Å; W753-Q780 HydrophobicContact CH2-CB 3.95Å; W753-Q780 HydrophobicContact CH2-CG 3.56Å; W753-Q780 HydrophobicContact CZ2-CB 4.42Å; W753-Q780 HydrophobicContact CZ2-CG 3.58Å; W753-Q780 HydrophobicContact CZ3-CB 3.77Å; W753-Q780 HydrophobicContact CZ3-CG 3.85Å; D776-Q780 WeakPolarHBondContact O-CG 3.32Å; D776-Q780 PolarHBondContact O-N 3.3Å; I777-Q780 PolarHBondContact O-N 3.26Å; Q780-A783 PolarHBondContact O-N 3.38Å; Q780-M784 PolarHBondContact O-N 2.84Å
781Q96.4Very high95.1Very high29 Ų2947.2 Ų47.214%0.13627%0.266CS..Hα-helixtrans-59.4-49.8172.7-176.4-172.5-20.300110.3F711 S714 I777 I778 A783 M784 E785F711-Q781 HydrophobicContact CD2-CB 3.6Å; F711-Q781 HydrophobicContact CD2-CG 4.33Å; F711-Q781 HydrophobicContact CE2-CB 3.89Å; F711-Q781 VanDerWaalsContact CE2-N 3.27Å; F711-Q781 HydrophobicContact CG-CB 4.23Å; F711-Q781 HydrophobicContact CG-CG 4.49Å; S714-Q781 PolarHBondContact OG-NE2 3.27Å; I777-Q781 WeakPolarHBondContact O-CB 3.38Å; I777-Q781 PolarHBondContact O-N 3.47Å; I778-Q781 WeakPolarHBondContact O-CB 3.33Å; I778-Q781 PolarHBondContact O-N 2.89Å; Q781-A783 VanDerWaalsContact C-N 3.33Å; Q781-A783 PolarHBondContact O-N 2.98Å; Q781-M784 WeakPolarHBondContact O-CB 3.27Å; Q781-M784 PolarHBondContact O-N 3.24Å; Q781-E785 HydrophobicContact CG-CG 4.47Å; Q781-E785 WeakPolarHBondContact CG-OE1 3.19Å; Q781-E785 PolarHBondContact NE2-OE1 3.14Å; Q781-E785 WeakPolarHBondContact O-CB 3.46Å; Q781-E785 WeakPolarHBondContact O-CG 3.35Å; Q781-E785 PolarHBondContact O-N 3.44Å
782Q96.5Very high94.9Very high120 Ų12045.6 Ų45.656%0.56126%0.255SS*.Hα-helixtrans-63.1-37.8178.5-72.1174.7-4.300112.3I778 S779 E785 S786I778-Q782 WeakPolarHBondContact O-CG 3.29Å; I778-Q782 PolarHBondContact O-N 3.48Å; S779-Q782 PolarHBondContact O-N 3.11Å; Q782-E785 PolarHBondContact O-N 2.7Å; Q782-S786 WeakPolarHBondContact O-CB 3.3Å; Q782-S786 PolarHBondContact O-N 3.23Å
783A96.3Very high94.7Very high35 Ų3550.1 Ų50.129%0.28928%0.279SS..Hα-helixtrans-61.9-48.5174.800000111.7Y750 S779 Q780 Q781 S786Y750-A783 WeakPolarHBondContact OH-CB 3.37Å; S779-A783 WeakPolarHBondContact O-CB 3.47Å; S779-A783 PolarHBondContact O-N 2.7Å; Q780-A783 PolarHBondContact O-N 3.38Å; Q781-A783 VanDerWaalsContact C-N 3.33Å; Q781-A783 PolarHBondContact O-N 2.98Å; A783-S786 PolarHBondContact O-N 3.39Å; A783-S786 PolarHBondContact O-OG 2.93Å
784M96.5Very high94Very high1 Ų148.4 Ų48.41%0.00528%0.276CS..Hα-helixtrans-57.6-50.8174.3-179.6-174.967.200111.9F711 L715 I718 Y750 Q780 Q781 S786 V787 C788F711-M784 HydrophobicContact CD1-CE 4.43Å; F711-M784 HydrophobicContact CE1-CE 4.05Å; F711-M784 HydrophobicContact CE1-SD 4.06Å; F711-M784 HydrophobicContact CZ-SD 4.5Å; L715-M784 HydrophobicContact CD2-CE 4.28Å; L715-M784 HydrophobicContact CD2-SD 3.44Å; L715-M784 WeakPolarHBondContact CD2-SD 3.34Å; L715-M784 HydrophobicContact CG-CE 4.26Å; L715-M784 HydrophobicContact CG-SD 4.04Å; I718-M784 HydrophobicContact CD1-CE 3.92Å; I718-M784 HydrophobicContact CD1-CG 4.09Å; I718-M784 HydrophobicContact CD1-SD 3.91Å; Y750-M784 HydrophobicContact CD1-CB 4.08Å; Y750-M784 HydrophobicContact CD2-CB 3.53Å; Y750-M784 HydrophobicContact CD2-CG 3.51Å; Y750-M784 HydrophobicContact CD2-SD 4.07Å; Y750-M784 HydrophobicContact CE1-CB 4.04Å; Y750-M784 HydrophobicContact CE2-CB 3.52Å; Y750-M784 HydrophobicContact CE2-CG 3.89Å; Y750-M784 HydrophobicContact CG-CB 3.83Å; Y750-M784 HydrophobicContact CG-CG 3.99Å; Y750-M784 HydrophobicContact CG-SD 4.05Å; Y750-M784 PolarHBondContact OH-N 2.99Å; Q780-M784 PolarHBondContact O-N 2.84Å; Q781-M784 WeakPolarHBondContact O-CB 3.27Å; Q781-M784 PolarHBondContact O-N 3.24Å; M784-S786 VanDerWaalsContact C-N 3.3Å; M784-S786 PolarHBondContact O-N 3.45Å; M784-V787 PolarHBondContact O-N 3.43Å; M784-C788 WeakPolarHBondContact O-CB 3.33Å; M784-C788 PolarHBondContact O-N 2.96Å; M784-C788 PolarHBondContact O-SG 2.7Å
785E95.2Very high93.1Very high37 Ų3752.4 Ų52.417%0.17330%0.303CS..Hα-helixtrans-61.7-36.6-178.8-76-177.2-16400112.2S714 Q781 Q782 V787 C788 H789S714-E785 VanDerWaalsContact CB-OE1 3.28Å; S714-E785 WeakPolarHBondContact CB-OE1 3.31Å; S714-E785 PolarHBondContact OG-OE1 3.27Å; Q781-E785 HydrophobicContact CG-CG 4.47Å; Q781-E785 WeakPolarHBondContact CG-OE1 3.19Å; Q781-E785 PolarHBondContact NE2-OE1 3.14Å; Q781-E785 WeakPolarHBondContact O-CB 3.46Å; Q781-E785 WeakPolarHBondContact O-CG 3.35Å; Q781-E785 PolarHBondContact O-N 3.44Å; Q782-E785 PolarHBondContact O-N 2.7Å; E785-V787 PolarHBondContact O-N 3.42Å; E785-C788 PolarHBondContact O-N 2.87Å; E785-H789 VanDerWaalsContact CD-CE1 3.47Å; E785-H789 VanDerWaalsContact CG-CE1 3.47Å; E785-H789 WeakPolarHBondContact CG-CE1 3.49Å; E785-H789 WeakPolarHBondContact O-CB 3.43Å; E785-H789 VanDerWaalsContact O-CG 3.31Å; E785-H789 PolarHBondContact O-N 2.93Å; E785-H789 IonicContact OE2-CE1 3.87Å; E785-H789 PolarHBondContact OE2-CE1 3.08Å; E785-H789 VanDerWaalsContact OE2-CE1 3.23Å; E785-H789 IonicContact OE2-ND1 3.29Å
786S95.2Very high92Very high80 Ų8053.6 Ų53.656%0.55930%0.301SS*.Hα-helixtrans-61.5-29.7178.876.50000113.6Q782 A783 M784 P790Q782-S786 WeakPolarHBondContact O-CB 3.3Å; Q782-S786 PolarHBondContact O-N 3.23Å; A783-S786 PolarHBondContact O-N 3.39Å; A783-S786 PolarHBondContact O-OG 2.93Å; M784-S786 VanDerWaalsContact C-N 3.3Å; M784-S786 PolarHBondContact O-N 3.45Å; S786-P790 VanDerWaalsContact O-CD 3.27Å; S786-P790 WeakPolarHBondContact O-CD 3.44Å; S786-P790 WeakPolarHBondContact O-CG 3.44Å
787V93.5Very high90.5Very high48 Ų4854.7 Ų54.729%0.29131%0.312SS..Hα-helixtrans-89.7-43.2177-1790000111M746 M784 E785M746-V787 HydrophobicContact CG-CG1 4.27Å; M746-V787 HydrophobicContact SD-CG1 4.36Å; M784-V787 PolarHBondContact O-N 3.43Å; E785-V787 PolarHBondContact O-N 3.42Å
788C93.4Very high88.6Confident0 Ų060.8 Ų60.80%035%0.351CS..Hα-helixtrans-79.9-36.9-172.3-590000113I718 L743 M784 E785 I791 I792I718-C788 HydrophobicContact CD1-CB 3.64Å; I718-C788 HydrophobicContact CG1-CB 4.02Å; I718-C788 HydrophobicContact CG2-CB 4.35Å; L743-C788 HydrophobicContact CD2-CB 3.72Å; M784-C788 WeakPolarHBondContact O-CB 3.33Å; M784-C788 PolarHBondContact O-N 2.96Å; M784-C788 PolarHBondContact O-SG 2.7Å; E785-C788 PolarHBondContact O-N 2.87Å; C788-I791 PolarHBondContact O-N 3.18Å; C788-I792 PolarHBondContact O-N 3.35Å
789H92.8Very high86.4Confident45 Ų4564.3 Ų64.321%0.20838%0.376CS..Hα-helixtrans-62.3-41.8-176.9-73.3171.4000114.2E785 I791 N793E785-H789 VanDerWaalsContact CD-CE1 3.47Å; E785-H789 VanDerWaalsContact CG-CE1 3.47Å; E785-H789 WeakPolarHBondContact CG-CE1 3.49Å; E785-H789 WeakPolarHBondContact O-CB 3.43Å; E785-H789 VanDerWaalsContact O-CG 3.31Å; E785-H789 PolarHBondContact O-N 2.93Å; E785-H789 IonicContact OE2-CE1 3.87Å; E785-H789 PolarHBondContact OE2-CE1 3.08Å; E785-H789 VanDerWaalsContact OE2-CE1 3.23Å; E785-H789 IonicContact OE2-ND1 3.29Å; H789-I791 VanDerWaalsContact C-N 3.27Å; H789-I791 PolarHBondContact O-N 2.69Å; H789-N793 WeakPolarHBondContact O-CB 3.38Å; H789-N793 PolarHBondContact O-N 3Å; H789-N793 VanDerWaalsContact O-N 3.14Å; H789-N793 PolarHBondContact O-ND2 3.17Å
790P91.6Very high83.8Confident81 Ų8165.8 Ų65.853%0.52639%0.392SS..Hα-helixtrans-58.9-37.6173.6-26.836.1000113.1S786 T794S786-P790 VanDerWaalsContact O-CD 3.27Å; S786-P790 WeakPolarHBondContact O-CD 3.44Å; S786-P790 WeakPolarHBondContact O-CG 3.44Å; P790-T794 PolarHBondContact O-N 2.91Å; P790-T794 PolarHBondContact O-OG1 3.03Å
791I89.8Confident81.1Confident13 Ų1367.2 Ų67.27%0.06741%0.41CS..Hα-helixtrans-70.9-57.1-179.6-57.5174.3000110.2L735 Q739 Q742 L743 C788 H789 N793 T794L735-I791 HydrophobicContact CD2-CG2 4.05Å; Q739-I791 HydrophobicContact CB-CG2 3.78Å; Q739-I791 HydrophobicContact CG-CG2 4.13Å; Q742-I791 HydrophobicContact CG-CD1 4.35Å; L743-I791 HydrophobicContact CD1-CB 4.44Å; L743-I791 HydrophobicContact CD1-CG2 3.76Å; L743-I791 HydrophobicContact CD2-CB 4.17Å; L743-I791 HydrophobicContact CD2-CD1 4.11Å; L743-I791 HydrophobicContact CD2-CG2 4.28Å; L743-I791 HydrophobicContact CG-CB 4.43Å; L743-I791 HydrophobicContact CG-CD1 4.35Å; L743-I791 HydrophobicContact CG-CG2 4Å; C788-I791 PolarHBondContact O-N 3.18Å; H789-I791 VanDerWaalsContact C-N 3.27Å; H789-I791 PolarHBondContact O-N 2.69Å; I791-N793 PolarHBondContact O-N 2.64Å; I791-N793 VanDerWaalsContact O-N 3.15Å; I791-T794 VanDerWaalsContact O-CB 3.29Å; I791-T794 WeakPolarHBondContact O-CB 3.41Å; I791-T794 PolarHBondContact O-N 2.81Å; I791-T794 PolarHBondContact O-OG1 3.41Å
792I89.5Confident78.4Confident11 Ų1172.1 Ų72.16%0.05644%0.444CS..Hα-helixtrans-66.4-20-17570.4178.9000113.8I718 V721 L743 C788I718-I792 HydrophobicContact CG2-CG2 4.33Å; V721-I792 HydrophobicContact CB-CG2 4.11Å; V721-I792 HydrophobicContact CG1-CB 4.21Å; V721-I792 HydrophobicContact CG1-CG2 3.93Å; V721-I792 HydrophobicContact CG2-CB 4.09Å; V721-I792 HydrophobicContact CG2-CG2 4.1Å; L743-I792 HydrophobicContact CD1-CG2 3.71Å; L743-I792 HydrophobicContact CD2-CG2 4.14Å; C788-I792 PolarHBondContact O-N 3.35Å
793N88.1Confident75.5Confident98 Ų9871.7 Ų71.752%0.52445%0.45SS..THydrogen-bonded Turntrans-104.113.1175.3-56-72.8000112.7H789 I791 P795H789-N793 WeakPolarHBondContact O-CB 3.38Å; H789-N793 PolarHBondContact O-N 3Å; H789-N793 VanDerWaalsContact O-N 3.14Å; H789-N793 PolarHBondContact O-ND2 3.17Å; I791-N793 PolarHBondContact O-N 2.64Å; I791-N793 VanDerWaalsContact O-N 3.15Å; N793-P795 WeakPolarHBondContact O-CD 3.3Å
794T83.3Confident72.6Confident50 Ų5075.8 Ų75.831%0.30747%0.467SS..PPolyproline II helixtrans-61.9124.7173.2-690000109.1H734 P790 I791H734-T794 PolarHBondContact CE1-O 2.95Å; H734-T794 PolarHBondContact NE2-O 3.29Å; P790-T794 PolarHBondContact O-N 2.91Å; P790-T794 PolarHBondContact O-OG1 3.03Å; I791-T794 VanDerWaalsContact O-CB 3.29Å; I791-T794 WeakPolarHBondContact O-CB 3.41Å; I791-T794 PolarHBondContact O-N 2.81Å; I791-T794 PolarHBondContact O-OG1 3.41Å
795P75.9Confident69.8Low110 Ų11083.5 Ų83.571%0.71451%0.508SS*.PPolyproline II helixtrans-74.5146.7178.929.6-34.2000111.9N793N793-P795 WeakPolarHBondContact O-CD 3.3Å
796K73.3Confident67.1Low104 Ų10487.3 Ų87.345%0.45253%0.534SS..PPolyproline II helixtrans-64.5132.1179.7-162.5164.3-165.8-179.20110.9P730 D733 H734P730-K796 PolarHBondContact O-NZ 3.35Å; D733-K796 IonicContact OD2-NZ 2.74Å; D733-K796 PolarHBondContact OD2-NZ 3.16Å; H734-K796 HydrophobicContact CB-CG 4.17Å; H734-K796 WeakPolarHBondContact ND1-CG 3.4Å
797P66.4Low64.6Low88 Ų8888.8 Ų88.857%0.57154%0.542SS*.PPolyproline II helixtrans-58.4144.1179.1-25.634.3000112.3H734 T799H734-P797 HydrophobicContact CB-CG 4.14Å; P797-T799 PolarHBondContact O-N 3.37Å
798P57.1Low62Low127 Ų12793 Ų9383%0.82556%0.563SS**PPolyproline II helixtrans-58.3130.6173.5-21.932.8000110.9A800P798-A800 PolarHBondContact O-N 3.47Å
799T50.1Low59.5Low141 Ų14199.5 Ų99.587%0.86560%0.597SS**PPolyproline II helixtrans-61.8122.6178.8-70000110.2P797 S801P797-T799 PolarHBondContact O-N 3.37Å; T799-S801 PolarHBondContact O-N 3.09Å
800A42.6Very low56.8Low95 Ų95103.9 Ų103.979%0.78562%0.622SS**PPolyproline II helixtrans-66.5119179.600000111.1P798P798-A800 PolarHBondContact O-N 3.47Å
801S40.1Very low54.3Low99 Ų99104.5 Ų104.569%0.69263%0.628SS**PPolyproline II helixtrans-62.9131.1170.2-46.50000110.3T799 T803T799-S801 PolarHBondContact O-N 3.09Å; S801-T803 PolarHBondContact O-N 2.84Å
802P38.5Very low51.8Low131 Ų131112.2 Ų112.285%0.85166%0.664SS**  trans-80.4107.1179.330.6-33000111.6
803T36.7Very low49.3Very low112 Ų112118.1 Ų118.169%0.68770%0.695SS**  trans-147.6138.6171.928.20000108.2S801S801-T803 PolarHBondContact O-N 2.84Å
804N35.9Very low46.7Very low120 Ų120118.5 Ų118.564%0.64271%0.705SS**  cis-144.4160.820.6-81.5-49.7000112.4
805N36.6Very low44.3Very low163 Ų163119.4 Ų119.487%0.87273%0.725SS**  -174.6105.7109.6-87.5-14.8000112.2
806T39.7Very low42.4Very low118 Ų118123.6 Ų123.672%0.72474%0.735SS**  trans-66.9168158.1-1.90000110.6
807P41.8Very low40.4Very low110 Ų110123.1 Ų123.171%0.71474%0.744SS**  -133.2-174.158.616.610.6000112.7
808D38.8Very low38.7Very low138 Ų138125.7 Ų125.774%0.73875%0.754SS**  cis-162.5179.3-7.3-112.8-27.2000107.5
809L40Very low37.4Very low135 Ų135125.9 Ų125.971%0.70775%0.747SS**  cis-156.7-174.52.1-131.2174000109
810N36.9Very low36.4Very low138 Ų138124.4 Ų124.474%0.73874%0.738SS**  trans72.6126.8160.2-72.2-11.6000120.3
811S38.8Very low35.8Very low93 Ų93126.9 Ų126.965%0.6574%0.738SS**  cis-169.5135.8-8.349.20000113.4
812Q37.7Very low35.4Very low176 Ų176129.3 Ų129.382%0.82274%0.743SS**  trans51.2142.2140.8-68-179.4-900119.9
813N36.7Very low35.7Very low135 Ų135127.7 Ų127.772%0.72273%0.733SS**  cis-170178.121.2-110.2-2000108.6
814S34Very low35.3Very low105 Ų105131.1 Ų131.173%0.73474%0.738SS**  cis-178.7137.9-24.754.10000111.1
815G33.3Very low34.9Very low69 Ų69131.2 Ų131.271%0.71174%0.743SS**  trans149.3115.8170.300000112.3
816Q34.8Very low34.5Very low199 Ų199130.5 Ų130.593%0.9374%0.74SS**  62.1131.480-73.8-174.8-16.700113.6
817S31.5Very low33.9Very low93 Ų93130.2 Ų130.265%0.6574%0.741SS**  cis-173.8152.86.549.20000112.3
818N30.5Very low33.4Very low143 Ų143132.1 Ų132.177%0.76575%0.745SS**  trans62.7162.1149.6-65.833.6000118.3
819D29.8Very low33.4Very low130 Ų130131.5 Ų131.570%0.69575%0.749SS**  cis-165.4168.9-9.9-122.5-43.5000111.6
820V29.7Very low32.9Very low111 Ų111128.2 Ų128.267%0.67375%0.748SS**  trans75.2122.9141.7165.70000125
821N30.4Very low32.8Very low146 Ų146128.1 Ų128.178%0.78175%0.752SS**  trans57.5127.5143.3-66.1-17.1000127.4
822N31.7Very low32.5Very low150 Ų150132 Ų13280%0.80277%0.765SS**  5.3165.9120.1-115.75.2000120.6
823P43.7Very low32.3Very low97 Ų97132.1 Ų132.163%0.6377%0.766SS**  cis-137-167.8-32.938.8-19.5000114.4
824K28.3Very low32.1Very low185 Ų185130.9 Ų130.980%0.80477%0.768SS**  trans77.1126.2154.7-79.1-173.5177.2-179.30122.4
825T29.1Very low31.9Very low122 Ų122134.9 Ų134.975%0.74877%0.772SS**  trans60122.1140.956.10000122
826N27.2Very low31.8Very low148 Ų148140.8 Ų140.879%0.79178%0.778SS**  138.6151.2105.9-120.56000115.9
827C28.4Very low31.5Very low111 Ų111137.3 Ų137.375%0.7577%0.774SS**  trans79.4103.7159.7-62.30000121.3
828N30.4Very low31.5Very low151 Ų151138.2 Ų138.281%0.80778%0.775SS**  trans-36.3160.9132.9-116-9000113
829P38.3Very low31.5Very low125 Ų125138.4 Ų138.481%0.81278%0.776SS**  -153.8167.251.940.9-20.2000119.6
830G30.2Very low31.6Very low66 Ų66139.7 Ų139.768%0.6878%0.783SS**  trans88.4145.1157.300000115.7
831T34.1Very low31.6Very low135 Ų135143 Ų14383%0.82879%0.792SS**  cis-151.4141.7-3.434.60000108.8
832N32.9Very low31.8Very low174 Ų174145 Ų14593%0.9380%0.796SS**  trans-155.5130.8156.7-115-21000111.7
833H33.3Very low31.8Very low180 Ų180144.9 Ų144.983%0.83380%0.795SS**  trans-101.5152.7-178.1-94.8-65000111.8
834S31.9Very low31.3Very low109 Ų109148.4 Ų148.476%0.76281%0.805SS**  trans68.4134.4164.578.80000115.8
835K31.2Very low31.4Very low188 Ų188146.7 Ų146.782%0.81781%0.805SS**  cis-145.7122.830.4-67.9168.4174.1175.60107.9
836K31.5Very low31.9Very low194 Ų194148.7 Ų148.784%0.84381%0.81SS**  40.798.896.8-84-164.1171.7-167.60113.9
837C26.5Very low32.3Very low126 Ų126153.2 Ų153.285%0.85183%0.834SS**  trans-62.5144.4143.4-57.70000108.2
838V32.1Very low32.5Very low111 Ų111155.3 Ų155.367%0.67384%0.839SS**  trans-126.8124.7171174.80000105.4
839D31.5Very low32.6Very low147 Ų147155.5 Ų155.579%0.78684%0.84SS**  trans-76.2126.4168.8-57.2-67.8000108.1E841D839-E841 PolarHBondContact O-N 3.05Å; D839-E841 VanDerWaalsContact O-N 3.13Å
840D30.4Very low32.2Very low157 Ų157157.2 Ų157.284%0.8484%0.842SS**  trans-81.682.4174.2-82.5-39.8000109.9
841E30.7Very low32.4Very low182 Ų182162.6 Ų162.685%0.8585%0.851SS**  trans-81.6110.1157-76.8-171.7147.700109D839 N843D839-E841 PolarHBondContact O-N 3.05Å; D839-E841 VanDerWaalsContact O-N 3.13Å; E841-N843 PolarHBondContact O-N 3.21Å
842Q34.2Very low32.3Very low186 Ų186164.3 Ų164.387%0.86985%0.853SS**  trans-77.6106.7170.8-74-174.4-18.800110.2M844Q842-M844 PolarHBondContact O-N 2.87Å
843N31.9Very low32.2Very low149 Ų149163.7 Ų163.780%0.79785%0.848SS**  trans-60123.7159.7-86.3-12000109.6E841E841-N843 PolarHBondContact O-N 3.21Å
844M32.6Very low32.1Very low170 Ų170162.5 Ų162.584%0.83785%0.849SS**  trans-94.7112.4150.7-79.8-169-69.200108.1Q842Q842-M844 PolarHBondContact O-N 2.87Å
845D31.9Very low32.1Very low150 Ų150166.6 Ų166.680%0.80286%0.855SS**  trans-68.7133.4157.1-69.7-49.1000108.6
846L39.3Very low32.2Very low163 Ų163164.8 Ų164.885%0.85386%0.859SS**  trans-135.3117.2161.7-81.4174.6000108.7
847D34.1Very low32.3Very low243 Ų243162.2 Ų162.2100%1.29986%0.86SS**  trans-66.50158.7-73.3-52.3000111.4

Retrieved 847 of 847 residues in 259.4 ms (Link to these results)

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