A0A093HM25_STRCA Loading...

Protein odr-4 homolog

May play a role in the trafficking of a subset of G-protein coupled receptors.

AlphaFold DB , UniProt , Accession A0A093HM25, Species STRCA (Struthio camelus australis), Gene n/a, Length 446 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
1M57.5Low88.5Confident248 Ų24850.9 Ų50.9100%1.22229%0.287SS*.  0146.90-64.9-174.4-168.200107.8
2G80.3Confident88.8Confident40 Ų4047.3 Ų47.341%0.41227%0.27SS..  trans-70.7160.6-178.500000113.2P162G2-P162 WeakPolarHBondContact CA-O 3.44Å
3R91.6Very high89Confident35 Ų3552.2 Ų52.213%0.13229%0.289CS..  trans-68.3159.1170.8-65.1-16967.676.87.1111Y5 S35 D39 V131 D133 T150 A163 D164R3-Y5 HydrophobicContact CB-CE2 4.15Å; R3-S35 PolarHBondContact NH2-O 2.82Å; R3-D39 IonicContact CZ-OD1 2.62Å; R3-D39 IonicContact CZ-OD2 3.17Å; R3-D39 VanDerWaalsContact CZ-OD2 3.24Å; R3-D39 IonicContact NE-OD1 3.33Å; R3-D39 IonicContact NE-OD2 2.88Å; R3-D39 PolarHBondContact NE-OD2 3.5Å; R3-D39 IonicContact NH2-OD1 3.41Å; R3-D39 PolarHBondContact NH2-OD1 2.8Å; R3-D39 IonicContact NH2-OD2 2.98Å; R3-D39 PolarHBondContact NH2-OD2 3.19Å; R3-V131 VanDerWaalsContact NH1-CG1 3.28Å; R3-D133 HydrophobicContact CG-CB 4.46Å; R3-T150 HydrophobicContact CB-CG2 4.37Å; R3-A163 HydrophobicContact CB-CB 4.33Å; R3-A163 CarbonylContact O-C 3.51Å; R3-A163 VanDerWaalsContact O-CA 3.25Å; R3-A163 WeakPolarHBondContact O-CA 3.29Å; R3-A163 WeakPolarHBondContact O-CB 3.4Å; R3-D164 PolarHBondContact O-N 3.31Å
4T95Very high89.3Confident22 Ų2251.9 Ų51.914%0.13528%0.282CS..EExtended strand (participates in β ladder)trans-118.1124171.7-61.40000109.9L6 R38 D39 D164 K166T4-L6 HydrophobicContact CG2-CD2 4.07Å; T4-R38 WeakPolarHBondContact O-CA 3.4Å; T4-D39 PolarHBondContact O-N 2.83Å; T4-D164 HydrophobicContact CG2-CB 4.05Å; T4-K166 HydrophobicContact CG2-CD 3.96Å
5Y95.8Very high89.6Confident0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-98.6119.9170.3-67.7-93.8000109R3 D39 V41 A135 T150 A163 D164 W165 K166R3-Y5 HydrophobicContact CB-CE2 4.15Å; Y5-D39 CarbonylContact C-O 3.44Å; Y5-D39 WeakPolarHBondContact CA-O 3.44Å; Y5-D39 HydrophobicContact CD1-CB 3.51Å; Y5-D39 HydrophobicContact CE1-CB 3.53Å; Y5-D39 WeakPolarHBondContact CE1-OD2 3.42Å; Y5-D39 HydrophobicContact CG-CB 4.28Å; Y5-D39 PolarHBondContact OH-OD2 2.79Å; Y5-V41 HydrophobicContact CD1-CG2 3.83Å; Y5-A135 HydrophobicContact CE1-CB 3.86Å; Y5-A135 HydrophobicContact CE2-CB 4.14Å; Y5-T150 HydrophobicContact CE2-CG2 3.57Å; Y5-T150 WeakPolarHBondContact OH-CG2 3.48Å; Y5-A163 HydrophobicContact CD2-CB 4.06Å; Y5-A163 HydrophobicContact CE2-CB 3.93Å; Y5-D164 PolarHBondContact N-O 3.07Å; Y5-W165 HydrophobicContact CG-CE3 4.31Å; Y5-W165 HydrophobicContact CG-CZ3 4.36Å; Y5-K166 PolarHBondContact O-N 3.14Å
6L95.1Very high89.7Confident9 Ų948.6 Ų48.65%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-92.1127.2169-58.9-179.4000108T4 R38 D39 Y40 V41 K166 L171T4-L6 HydrophobicContact CG2-CD2 4.07Å; L6-R38 HydrophobicContact CD1-CB 4.23Å; L6-R38 HydrophobicContact CG-CB 4.39Å; L6-D39 PolarHBondContact N-O 2.96Å; L6-Y40 HydrophobicContact CB-CD1 4.14Å; L6-Y40 HydrophobicContact CD1-CD1 4.06Å; L6-Y40 HydrophobicContact CD1-CE1 3.65Å; L6-Y40 CarbonylContact O-C 3.58Å; L6-Y40 WeakPolarHBondContact O-CA 3.33Å; L6-V41 PolarHBondContact O-N 2.7Å; L6-K166 CarbonylContact C-O 3.46Å; L6-K166 WeakPolarHBondContact CA-O 3.13Å; L6-K166 HydrophobicContact CD2-CB 4.18Å; L6-L171 VanDerWaalsContact C-CD1 3.42Å; L6-L171 HydrophobicContact CB-CD1 3.83Å; L6-L171 HydrophobicContact CB-CD2 4.22Å
7V94.4Very high89.8Confident0 Ų051.9 Ų51.90%029%0.286CS..EExtended strand (participates in β ladder)trans-129.7130.1-165.1-174.50000110.3V11 V41 W165 K166 Y167 Q168 L171V7-V11 HydrophobicContact CG1-CB 3.76Å; V7-V11 HydrophobicContact CG1-CG1 3.84Å; V7-V11 HydrophobicContact CG1-CG2 4.41Å; V7-V41 HydrophobicContact CB-CB 4.39Å; V7-V41 HydrophobicContact CG1-CB 4.16Å; V7-V41 HydrophobicContact CG1-CG1 4.37Å; V7-V41 HydrophobicContact CG2-CB 4.01Å; V7-V41 HydrophobicContact CG2-CG2 4.07Å; V7-W165 HydrophobicContact CB-CZ2 4.18Å; V7-W165 HydrophobicContact CG1-CH2 4.22Å; V7-W165 HydrophobicContact CG1-CZ2 3.62Å; V7-W165 HydrophobicContact CG2-CD2 3.72Å; V7-W165 HydrophobicContact CG2-CE3 3.91Å; V7-W165 HydrophobicContact CG2-CG 4.39Å; V7-W165 HydrophobicContact CG2-CH2 3.79Å; V7-W165 HydrophobicContact CG2-CZ2 3.62Å; V7-W165 HydrophobicContact CG2-CZ3 3.94Å; V7-K166 PolarHBondContact N-O 3.47Å; V7-Y167 HydrophobicContact CB-CD1 3.97Å; V7-Y167 HydrophobicContact CB-CE1 4.18Å; V7-Y167 HydrophobicContact CG1-CD1 3.97Å; V7-Y167 HydrophobicContact CG1-CE1 3.79Å; V7-Y167 CarbonylContact O-C 3.53Å; V7-Y167 VanDerWaalsContact O-CA 3.29Å; V7-Y167 WeakPolarHBondContact O-CA 3.48Å; V7-Q168 PolarHBondContact O-N 3.46Å; V7-L171 VanDerWaalsContact C-CD1 3.44Å
8E90.4Very high89.8Confident22 Ų2249.8 Ų49.810%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-64.6140.4177.5-174.362.1-115.900110A10 V11 V41 A170 L171 S172E8-A10 HydrophobicContact CG-CB 4.28Å; E8-A10 PolarHBondContact O-N 2.88Å; E8-V11 HydrophobicContact CB-CG2 4.22Å; E8-V11 VanDerWaalsContact O-CB 3.29Å; E8-V11 WeakPolarHBondContact O-CB 3.43Å; E8-V11 PolarHBondContact O-N 3.45Å; E8-V41 PolarHBondContact N-O 2.98Å; E8-V41 VanDerWaalsContact N-O 3.14Å; E8-A170 PolarHBondContact OE1-N 2.87Å; E8-L171 WeakPolarHBondContact OE2-CA 3.4Å; E8-L171 WeakPolarHBondContact OE2-CB 3.39Å; E8-L171 PolarHBondContact OE2-N 2.88Å; E8-S172 WeakPolarHBondContact OE2-CB 3.26Å; E8-S172 PolarHBondContact OE2-N 3.16Å; E8-S172 PolarHBondContact OE2-OG 3.07Å
9E90.2Very high88.9Confident111 Ų11152.2 Ų52.252%0.51929%0.286SS..Hα-helixtrans-59.8-35.6-175.1-69.8-178.9173.400112.3V11 G12 Q13E9-V11 PolarHBondContact O-N 2.92Å; E9-G12 WeakPolarHBondContact O-CA 3.31Å; E9-G12 PolarHBondContact O-N 3.05Å; E9-Q13 PolarHBondContact O-N 3.17Å
10A90.1Very high87.8Confident68 Ų6851.1 Ų51.156%0.56228%0.281SS*.Hα-helixtrans-57.8-30.9175.200000113E8 Q13 Y14E8-A10 HydrophobicContact CG-CB 4.28Å; E8-A10 PolarHBondContact O-N 2.88Å; A10-Q13 PolarHBondContact O-N 2.93Å; A10-Y14 VanDerWaalsContact O-CB 3.31Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 2.84Å
11V92.8Very high86.6Confident5 Ų557.1 Ų57.13%0.0331%0.305CS..Hα-helixtrans-69.1-39.4174.8178.80000110.6V7 E8 E9 Y14 L15 V41 A44V7-V11 HydrophobicContact CG1-CB 3.76Å; V7-V11 HydrophobicContact CG1-CG1 3.84Å; V7-V11 HydrophobicContact CG1-CG2 4.41Å; E8-V11 HydrophobicContact CB-CG2 4.22Å; E8-V11 VanDerWaalsContact O-CB 3.29Å; E8-V11 WeakPolarHBondContact O-CB 3.43Å; E8-V11 PolarHBondContact O-N 3.45Å; E9-V11 PolarHBondContact O-N 2.92Å; V11-Y14 PolarHBondContact O-N 2.95Å; V11-L15 HydrophobicContact CG1-CD1 4.08Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 2.88Å; V11-V41 HydrophobicContact CG1-CG1 4.3Å; V11-A44 HydrophobicContact CG1-CB 3.75Å
12G92Very high86.6Confident8 Ų853.6 Ų53.68%0.08229%0.29CS..Hα-helixtrans-63.6-42.7175.300000112.5E9 S16 Y167E9-G12 WeakPolarHBondContact O-CA 3.31Å; E9-G12 PolarHBondContact O-N 3.05Å; G12-S16 WeakPolarHBondContact O-CB 3.41Å; G12-S16 PolarHBondContact O-N 3.18Å; G12-S16 VanDerWaalsContact O-N 3.07Å; G12-S16 PolarHBondContact O-OG 3.18Å; G12-Y167 VanDerWaalsContact CA-CE1 3.4Å; G12-Y167 WeakPolarHBondContact CA-OH 3.49Å
13Q91.3Very high86Confident110 Ų11055.9 Ų55.951%0.51429%0.289SS..Hα-helixtrans-62.4-50.4175.2-173.358.938.500110.9E9 A10 L15 S16 D17E9-Q13 PolarHBondContact O-N 3.17Å; A10-Q13 PolarHBondContact O-N 2.93Å; Q13-L15 PolarHBondContact O-N 3.34Å; Q13-S16 WeakPolarHBondContact O-CA 3.5Å; Q13-S16 WeakPolarHBondContact O-CB 3.35Å; Q13-S16 PolarHBondContact O-N 2.73Å; Q13-D17 VanDerWaalsContact NE2-CG 3.31Å; Q13-D17 PolarHBondContact NE2-OD1 3.24Å; Q13-D17 PolarHBondContact NE2-OD2 3.3Å; Q13-D17 VanDerWaalsContact O-CG 3.28Å; Q13-D17 PolarHBondContact O-N 3.28Å
14Y93.6Very high85.2Confident49 Ų4956.6 Ų56.619%0.19230%0.298CS..Hα-helixtrans-55-50.6177.2174.7-98000112.5A10 V11 S16 D17 L18 A44 R46 D377A10-Y14 VanDerWaalsContact O-CB 3.31Å; A10-Y14 WeakPolarHBondContact O-CB 3.44Å; A10-Y14 PolarHBondContact O-N 2.84Å; V11-Y14 PolarHBondContact O-N 2.95Å; Y14-S16 PolarHBondContact O-N 2.98Å; Y14-D17 PolarHBondContact O-N 3.16Å; Y14-L18 HydrophobicContact CD1-CD1 4.25Å; Y14-L18 HydrophobicContact CE1-CD1 3.68Å; Y14-L18 HydrophobicContact CE1-CD2 4.5Å; Y14-L18 HydrophobicContact CE1-CG 4.19Å; Y14-L18 HydrophobicContact CE2-CD2 4.35Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 3.23Å; Y14-L18 VanDerWaalsContact O-N 3.12Å; Y14-A44 HydrophobicContact CD1-CB 3.92Å; Y14-A44 HydrophobicContact CE1-CB 4.05Å; Y14-A44 VanDerWaalsContact CE1-O 3.23Å; Y14-A44 WeakPolarHBondContact CE1-O 3.32Å; Y14-R46 VanDerWaalsContact OH-CB 3.31Å; Y14-R46 WeakPolarHBondContact OH-CB 3.49Å; Y14-R46 PolarHBondContact OH-N 3.17Å; Y14-D377 HydrophobicContact CE2-CB 4.45Å; Y14-D377 WeakPolarHBondContact CE2-OD2 3.13Å; Y14-D377 WeakPolarHBondContact OH-CB 3.29Å; Y14-D377 PolarHBondContact OH-OD2 3.31Å
15L94.3Very high84.7Confident2 Ų256.1 Ų56.11%0.0130%0.295CS..Hα-helixtrans-61.7-30.5177.5-70.4173000112.8V11 Q13 L18 A44 F92 I94 L137 W165V11-L15 HydrophobicContact CG1-CD1 4.08Å; V11-L15 HydrophobicContact CG1-CG 4.41Å; V11-L15 WeakPolarHBondContact O-CB 3.4Å; V11-L15 VanDerWaalsContact O-CG 3.27Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 2.88Å; Q13-L15 PolarHBondContact O-N 3.34Å; L15-L18 HydrophobicContact CD2-CD1 4.42Å; L15-A44 HydrophobicContact CD2-CB 3.97Å; L15-A44 HydrophobicContact CG-CB 4.25Å; L15-F92 HydrophobicContact CD2-CD1 4.11Å; L15-F92 HydrophobicContact CD2-CD2 3.78Å; L15-F92 HydrophobicContact CD2-CE1 4.05Å; L15-F92 HydrophobicContact CD2-CE2 3.74Å; L15-F92 HydrophobicContact CD2-CG 3.97Å; L15-F92 HydrophobicContact CD2-CZ 3.87Å; L15-I94 HydrophobicContact CD2-CD1 4.42Å; L15-I94 WeakPolarHBondContact O-CD1 3.43Å; L15-L137 HydrophobicContact CD1-CD2 3.77Å; L15-W165 HydrophobicContact CD1-CZ2 4.29Å
16S91.1Very high84.5Confident48 Ų4856.8 Ų56.834%0.33630%0.299SS..Hα-helixtrans-75.1-35.4178.2-620000112.2G12 Q13 Y14 K144G12-S16 WeakPolarHBondContact O-CB 3.41Å; G12-S16 PolarHBondContact O-N 3.18Å; G12-S16 VanDerWaalsContact O-N 3.07Å; G12-S16 PolarHBondContact O-OG 3.18Å; Q13-S16 WeakPolarHBondContact O-CA 3.5Å; Q13-S16 WeakPolarHBondContact O-CB 3.35Å; Q13-S16 PolarHBondContact O-N 2.73Å; Y14-S16 PolarHBondContact O-N 2.98Å; S16-K144 PolarHBondContact O-NZ 3.25Å
17D91.1Very high84.5Confident106 Ų10657.3 Ų57.357%0.56730%0.303SS*.Hα-helixtrans-77.3-22.8-179-67.2-22.8000112.8Q13 Y14 N19Q13-D17 VanDerWaalsContact NE2-CG 3.31Å; Q13-D17 PolarHBondContact NE2-OD1 3.24Å; Q13-D17 PolarHBondContact NE2-OD2 3.3Å; Q13-D17 VanDerWaalsContact O-CG 3.28Å; Q13-D17 PolarHBondContact O-N 3.28Å; Y14-D17 PolarHBondContact O-N 3.16Å; D17-N19 PolarHBondContact O-N 3.29Å
18L89.7Confident84.5Confident14 Ų1457.4 Ų57.47%0.07330%0.303CS..  trans-59.7113172.7-73.1-179000111.1Y14 L15 V26 R46 F92 I94Y14-L18 HydrophobicContact CD1-CD1 4.25Å; Y14-L18 HydrophobicContact CE1-CD1 3.68Å; Y14-L18 HydrophobicContact CE1-CD2 4.5Å; Y14-L18 HydrophobicContact CE1-CG 4.19Å; Y14-L18 HydrophobicContact CE2-CD2 4.35Å; Y14-L18 WeakPolarHBondContact O-CG 3.43Å; Y14-L18 PolarHBondContact O-N 3.23Å; Y14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 HydrophobicContact CD2-CD1 4.42Å; L18-V26 HydrophobicContact CD1-CG1 4.18Å; L18-R46 HydrophobicContact CD1-CB 4.45Å; L18-R46 HydrophobicContact CD2-CB 4.35Å; L18-F92 HydrophobicContact CD1-CE2 3.84Å; L18-F92 HydrophobicContact CD1-CZ 3.88Å; L18-I94 HydrophobicContact CB-CD1 3.53Å; L18-I94 HydrophobicContact CD1-CD1 3.72Å; L18-I94 HydrophobicContact CG-CD1 4.26Å
19N72.8Confident84.9Confident94 Ų9456.3 Ų56.350%0.50330%0.298SS..  trans-94.9135.8-172.6-175.218.1000112.2D17 K21D17-N19 PolarHBondContact O-N 3.29Å; N19-K21 WeakPolarHBondContact ND2-CD 3.29Å; N19-K21 VanDerWaalsContact OD1-CG 3.23Å; N19-K21 WeakPolarHBondContact OD1-CG 3.37Å; N19-K21 PolarHBondContact OD1-N 3.2Å; N19-K21 VanDerWaalsContact OD1-N 3.14Å
20T66.9Low85.3Confident30 Ų3051 Ų5118%0.18427%0.274CS..  trans-9910.9177.563.10000113.6L22 K23 V26 I94 S141T20-L22 PolarHBondContact O-N 2.93Å; T20-L22 VanDerWaalsContact O-N 3.14Å; T20-K23 PolarHBondContact O-N 2.95Å; T20-V26 HydrophobicContact CG2-CG2 4.23Å; T20-I94 HydrophobicContact CG2-CB 4.48Å; T20-I94 HydrophobicContact CG2-CG2 3.88Å; T20-S141 WeakPolarHBondContact OG1-CB 3.33Å
21K62.4Low85.6Confident178 Ų17847.9 Ų47.977%0.77425%0.247SC*.SBendtrans-59.6-25.3-175.1-79.4177.4-157.1179.30115N19N19-K21 WeakPolarHBondContact ND2-CD 3.29Å; N19-K21 VanDerWaalsContact OD1-CG 3.23Å; N19-K21 WeakPolarHBondContact OD1-CG 3.37Å; N19-K21 PolarHBondContact OD1-N 3.2Å; N19-K21 VanDerWaalsContact OD1-N 3.14Å
22L58.2Low85.7Confident175 Ų17547.6 Ų47.692%0.91625%0.246SC*.SBendtrans-110.5-14.9-175.1-67.8167.2000113.9T20T20-L22 PolarHBondContact O-N 2.93Å; T20-L22 VanDerWaalsContact O-N 3.14Å
23K67.5Low85.8Confident88 Ų8847.9 Ų47.938%0.38325%0.245SC..SBendtrans-137.9142.8-177-68.4-167.8177.8-166.20110.8T20 C25T20-K23 PolarHBondContact O-N 2.95Å; K23-C25 PolarHBondContact O-N 3.5Å
24P74.3Confident85.8Confident50 Ų5044 Ų4433%0.32523%0.229SC..SBendtrans-64.2-23.7-176.726.6-35.2000113.1S65 L99P24-S65 WeakPolarHBondContact CG-OG 3.01Å; P24-L99 HydrophobicContact CB-CD1 4.09Å
25C85.7Confident85.5Confident11 Ų1142.6 Ų42.67%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-150.715917167.50000111.5K23 V93 I94 A95K23-C25 PolarHBondContact O-N 3.5Å; C25-V93 HydrophobicContact CB-CG1 4.17Å; C25-I94 CarbonylContact C-O 3.5Å; C25-I94 WeakPolarHBondContact CA-O 3.36Å; C25-I94 WeakPolarHBondContact CB-O 3.21Å; C25-A95 HydrophobicContact CB-CB 4.15Å
26V91.1Very high84.9Confident14 Ų1446.7 Ų46.79%0.08526%0.256CS..EExtended strand (participates in β ladder)trans-117.4129.9169.8178.50000107.4L18 T20 R46 V93 I94L18-V26 HydrophobicContact CD1-CG1 4.18Å; T20-V26 HydrophobicContact CG2-CG2 4.23Å; V26-R46 HydrophobicContact CG1-CG 3.64Å; V26-V93 CarbonylContact O-C 3.59Å; V26-V93 WeakPolarHBondContact O-CA 3.34Å; V26-I94 HydrophobicContact CB-CB 4.22Å; V26-I94 PolarHBondContact N-O 3.22Å; V26-I94 PolarHBondContact O-N 3.1Å
27T93.8Very high84.3Confident21 Ų2151.4 Ų51.413%0.12927%0.273CS..EExtended strand (participates in β ladder)trans-113.2160.3177.6680000110.2T47 I66 I71 F92 V93T27-T47 PolarHBondContact O-N 3.42Å; T27-T47 PolarHBondContact OG1-OG1 2.85Å; T27-I66 HydrophobicContact CG2-CD1 4.26Å; T27-I66 HydrophobicContact CG2-CG1 4.14Å; T27-I66 HydrophobicContact CG2-CG2 4.42Å; T27-I71 HydrophobicContact CG2-CD1 4.07Å; T27-I71 WeakPolarHBondContact OG1-CD1 3.15Å; T27-F92 WeakPolarHBondContact CA-O 3.45Å; T27-V93 HydrophobicContact CG2-CG2 4.04Å
28G96.1Very high84.3Confident1 Ų151.6 Ų51.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-177.3-171.7176.200000113.2V45 T47 V91 F92G28-V45 CarbonylContact C-O 3.52Å; G28-V45 WeakPolarHBondContact CA-O 3.25Å; G28-T47 WeakPolarHBondContact CA-OG1 3.48Å; G28-V91 CarbonylContact O-C 3.56Å; G28-V91 VanDerWaalsContact O-CA 3.3Å; G28-V91 WeakPolarHBondContact O-CA 3.31Å; G28-F92 VanDerWaalsContact C-CD1 3.4Å; G28-F92 VanDerWaalsContact C-CE1 3.41Å; G28-F92 PolarHBondContact N-O 3.43Å; G28-F92 PolarHBondContact O-N 3.03Å
29L98.3Very high84.5Confident0 Ų051 Ų510%026%0.262CS..EExtended strand (participates in β ladder)trans-117.4150.4-172.7-52.7170.9000110.6A44 V45 I71 A75 V78 V88 V91 F92L29-A44 VanDerWaalsContact O-CA 3.31Å; L29-A44 WeakPolarHBondContact O-CA 3.45Å; L29-V45 HydrophobicContact CB-CG2 3.81Å; L29-V45 HydrophobicContact CD1-CG2 4.29Å; L29-V45 HydrophobicContact CG-CG2 4.39Å; L29-V45 PolarHBondContact N-O 2.88Å; L29-V45 PolarHBondContact O-N 3.01Å; L29-I71 HydrophobicContact CD2-CG2 4.47Å; L29-A75 VanDerWaalsContact CD1-CA 3.45Å; L29-A75 HydrophobicContact CD1-CB 3.88Å; L29-A75 HydrophobicContact CD2-CB 3.77Å; L29-A75 HydrophobicContact CG-CB 4.49Å; L29-V78 HydrophobicContact CD1-CB 3.97Å; L29-V78 HydrophobicContact CD1-CG1 4.25Å; L29-V78 HydrophobicContact CD1-CG2 3.91Å; L29-V88 HydrophobicContact CB-CG1 4.28Å; L29-V88 HydrophobicContact CD2-CG1 4.12Å; L29-V91 HydrophobicContact CD2-CG1 3.91Å; L29-F92 WeakPolarHBondContact O-CE1 3.32Å
30L98Very high85.5Confident0 Ų046.7 Ų46.70%024%0.239CC..EExtended strand (participates in β ladder)trans-107.3127.1171.4-59.6175.6000108.5V41 A44 V88 L89 G90 F92 A135 L137 W165L30-V41 HydrophobicContact CB-CG1 4.38Å; L30-V41 HydrophobicContact CD2-CG1 4.32Å; L30-A44 HydrophobicContact CD2-CB 3.88Å; L30-V88 CarbonylContact O-C 3.54Å; L30-V88 WeakPolarHBondContact O-CA 3.29Å; L30-L89 HydrophobicContact CB-CB 4.43Å; L30-L89 PolarHBondContact O-N 3.37Å; L30-G90 PolarHBondContact N-O 2.96Å; L30-F92 HydrophobicContact CD2-CB 4.41Å; L30-F92 HydrophobicContact CD2-CD1 3.85Å; L30-F92 HydrophobicContact CG-CD1 4.31Å; L30-A135 HydrophobicContact CD1-CB 4.07Å; L30-L137 HydrophobicContact CD1-CB 3.97Å; L30-L137 HydrophobicContact CD1-CD2 4.23Å; L30-L137 HydrophobicContact CD2-CD2 4.24Å; L30-W165 HydrophobicContact CD1-CH2 3.93Å; L30-W165 HydrophobicContact CD1-CZ3 4.02Å; L30-W165 HydrophobicContact CD2-CH2 4.14Å
31I96.6Very high86.9Confident1 Ų145.2 Ų45.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-114.1138-177.4-59.8168.1000109I42 R43 V45 V78 L82 L376I31-I42 PolarHBondContact O-N 3.22Å; I31-R43 HydrophobicContact CB-CB 4.32Å; I31-R43 PolarHBondContact N-O 3.39Å; I31-R43 PolarHBondContact O-N 3.47Å; I31-V45 HydrophobicContact CD1-CG1 3.85Å; I31-V45 HydrophobicContact CD1-CG2 4.01Å; I31-V78 HydrophobicContact CD1-CG1 3.62Å; I31-V78 HydrophobicContact CG1-CG1 4.07Å; I31-L82 HydrophobicContact CD1-CD2 4.32Å; I31-L82 HydrophobicContact CG2-CD1 4.05Å; I31-L82 HydrophobicContact CG2-CD2 3.54Å; I31-L82 HydrophobicContact CG2-CG 4.47Å; I31-L376 HydrophobicContact CD1-CD2 3.88Å
32G95.2Very high88.3Confident0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans167.8-150174.600000113.3Y40 L86 L87G32-Y40 CarbonylContact C-O 3.56Å; G32-Y40 WeakPolarHBondContact CA-O 3.25Å; G32-L86 CarbonylContact O-C 3.51Å; G32-L86 WeakPolarHBondContact O-CA 3.38Å; G32-L87 PolarHBondContact N-O 3.07Å; G32-L87 PolarHBondContact O-N 3.47Å
33Q94.1Very high90Very high13 Ų1330.8 Ų30.86%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-123.4135-175.4176.6163.189.800112D39 Y40 G85 L86 W175 Y288Q33-D39 WeakPolarHBondContact O-CA 3.39Å; Q33-Y40 PolarHBondContact N-O 3.14Å; Q33-Y40 PolarHBondContact O-N 2.97Å; Q33-G85 WeakPolarHBondContact CB-O 3.39Å; Q33-G85 WeakPolarHBondContact CG-O 3.43Å; Q33-G85 PolarHBondContact NE2-O 3.4Å; Q33-L86 HydrophobicContact CB-CD2 4.48Å; Q33-W175 HydrophobicContact CB-CH2 3.67Å; Q33-W175 HydrophobicContact CB-CZ3 3.87Å; Q33-Y288 PolarHBondContact NE2-O 2.86Å
34C91.5Very high91.4Very high28 Ų2826.8 Ų26.819%0.18914%0.142CC..  trans-81.9141.3167.5-73.60000111D39 L87 L89 V131C34-D39 WeakPolarHBondContact CA-OD1 3.17Å; C34-L87 HydrophobicContact CB-CD2 4.32Å; C34-L89 HydrophobicContact CB-CD2 4.38Å; C34-L89 WeakPolarHBondContact SG-CD2 3.49Å; C34-V131 HydrophobicContact CB-CB 4.23Å
35S86.6Confident92.4Very high20 Ų2024.4 Ų24.414%0.1413%0.127CC..  trans-138164164.9177.10000110.6R3 Q37 R38 D39R3-S35 PolarHBondContact NH2-O 2.82Å; S35-Q37 PolarHBondContact O-N 2.78Å; S35-R38 VanDerWaalsContact CB-O 3.24Å; S35-R38 WeakPolarHBondContact CB-O 3.49Å; S35-R38 PolarHBondContact N-O 3.02Å; S35-D39 PolarHBondContact N-OD1 3.07Å; S35-D39 VanDerWaalsContact N-OD1 3.14Å
36S81.8Confident92.8Very high89 Ų8928.3 Ų28.362%0.62214%0.14SC*.SBendtrans-56.6-34.2-178.255.20000113.2
37Q79.8Confident93Very high147 Ų14728.1 Ų28.169%0.68714%0.139SC*.SBendtrans-102.3-41.5-176.5-62.6-172-4.300114.2S35S35-Q37 PolarHBondContact O-N 2.78Å
38R89.7Confident92.9Very high110 Ų11027.7 Ų27.742%0.41514%0.136SC..  trans-148.1146.9-172.3-55.7-174.6-172.1-158.20.8109.7T4 L6 S35T4-R38 WeakPolarHBondContact O-CA 3.4Å; L6-R38 HydrophobicContact CD1-CB 4.23Å; L6-R38 HydrophobicContact CG-CB 4.39Å; S35-R38 VanDerWaalsContact CB-O 3.24Å; S35-R38 WeakPolarHBondContact CB-O 3.49Å; S35-R38 PolarHBondContact N-O 3.02Å
39D94Very high92.2Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-102.5146.5173.5-62.5-32.9000110.1R3 T4 Y5 L6 Q33 C34 S35R3-D39 IonicContact CZ-OD1 2.62Å; R3-D39 IonicContact CZ-OD2 3.17Å; R3-D39 VanDerWaalsContact CZ-OD2 3.24Å; R3-D39 IonicContact NE-OD1 3.33Å; R3-D39 IonicContact NE-OD2 2.88Å; R3-D39 PolarHBondContact NE-OD2 3.5Å; R3-D39 IonicContact NH2-OD1 3.41Å; R3-D39 PolarHBondContact NH2-OD1 2.8Å; R3-D39 IonicContact NH2-OD2 2.98Å; R3-D39 PolarHBondContact NH2-OD2 3.19Å; T4-D39 PolarHBondContact O-N 2.83Å; Y5-D39 CarbonylContact C-O 3.44Å; Y5-D39 WeakPolarHBondContact CA-O 3.44Å; Y5-D39 HydrophobicContact CD1-CB 3.51Å; Y5-D39 HydrophobicContact CE1-CB 3.53Å; Y5-D39 WeakPolarHBondContact CE1-OD2 3.42Å; Y5-D39 HydrophobicContact CG-CB 4.28Å; Y5-D39 PolarHBondContact OH-OD2 2.79Å; L6-D39 PolarHBondContact N-O 2.96Å; Q33-D39 WeakPolarHBondContact O-CA 3.39Å; C34-D39 WeakPolarHBondContact CA-OD1 3.17Å; S35-D39 PolarHBondContact N-OD1 3.07Å; S35-D39 VanDerWaalsContact N-OD1 3.14Å
40Y94.4Very high91.2Very high4 Ų435.3 Ų35.32%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-114.7113.5-177.3-53.1-85.1000109.2L6 G32 Q33 L89 L171 H290 N292L6-Y40 HydrophobicContact CB-CD1 4.14Å; L6-Y40 HydrophobicContact CD1-CD1 4.06Å; L6-Y40 HydrophobicContact CD1-CE1 3.65Å; L6-Y40 CarbonylContact O-C 3.58Å; L6-Y40 WeakPolarHBondContact O-CA 3.33Å; G32-Y40 CarbonylContact C-O 3.56Å; G32-Y40 WeakPolarHBondContact CA-O 3.25Å; Q33-Y40 PolarHBondContact N-O 3.14Å; Q33-Y40 PolarHBondContact O-N 2.97Å; Y40-L89 WeakPolarHBondContact O-CD1 3.43Å; Y40-L171 HydrophobicContact CD1-CD2 4.12Å; Y40-H290 AromaticContact CD1-CD2 3.55Å; Y40-H290 AromaticContact CD1-CE1 3.9Å; Y40-H290 AromaticContact CD1-CG 3.79Å; Y40-H290 AromaticContact CD1-NE2 3.62Å; Y40-H290 HydrophobicContact CD2-CB 3.8Å; Y40-H290 AromaticContact CD2-CG 3.89Å; Y40-H290 AromaticContact CE1-CD2 3.8Å; Y40-H290 AromaticContact CE1-CE1 3.39Å; Y40-H290 WeakPolarHBondContact CE1-CE1 3.38Å; Y40-H290 AromaticContact CE1-CG 3.69Å; Y40-H290 AromaticContact CE1-ND1 3.43Å; Y40-H290 WeakPolarHBondContact CE1-ND1 3.28Å; Y40-H290 AromaticContact CE1-NE2 3.61Å; Y40-H290 HydrophobicContact CE2-CB 3.81Å; Y40-H290 AromaticContact CE2-CG 3.8Å; Y40-H290 AromaticContact CE2-ND1 3.94Å; Y40-H290 HydrophobicContact CG-CB 4.21Å; Y40-H290 AromaticContact CG-CD2 3.8Å; Y40-H290 AromaticContact CG-CG 3.89Å; Y40-H290 AromaticContact CZ-CE1 3.86Å; Y40-H290 AromaticContact CZ-CG 3.7Å; Y40-H290 AromaticContact CZ-ND1 3.41Å; Y40-N292 VanDerWaalsContact OH-CB 3.25Å; Y40-N292 WeakPolarHBondContact OH-CB 3.07Å; Y40-N292 PolarHBondContact OH-ND2 2.64Å
41V95.2Very high89.4Confident0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-95.7114.4175.1-175.30000108.4Y5 L6 V7 E8 V11 L30 L89 W165Y5-V41 HydrophobicContact CD1-CG2 3.83Å; L6-V41 PolarHBondContact O-N 2.7Å; V7-V41 HydrophobicContact CB-CB 4.39Å; V7-V41 HydrophobicContact CG1-CB 4.16Å; V7-V41 HydrophobicContact CG1-CG1 4.37Å; V7-V41 HydrophobicContact CG2-CB 4.01Å; V7-V41 HydrophobicContact CG2-CG2 4.07Å; E8-V41 PolarHBondContact N-O 2.98Å; E8-V41 VanDerWaalsContact N-O 3.14Å; V11-V41 HydrophobicContact CG1-CG1 4.3Å; L30-V41 HydrophobicContact CB-CG1 4.38Å; L30-V41 HydrophobicContact CD2-CG1 4.32Å; V41-L89 HydrophobicContact CG2-CD1 3.88Å; V41-W165 HydrophobicContact CG1-CH2 4.31Å; V41-W165 HydrophobicContact CG2-CH2 4.1Å; V41-W165 HydrophobicContact CG2-CZ3 4.09Å
42I93Very high87.4Confident8 Ų852 Ų524%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-102-20.3-178.862.1176.6000113I31 L86 W175 V353I31-I42 PolarHBondContact O-N 3.22Å; I42-L86 HydrophobicContact CD1-CD1 4.29Å; I42-L86 HydrophobicContact CD1-CD2 3.95Å; I42-W175 HydrophobicContact CG2-CH2 4.06Å; I42-W175 HydrophobicContact CG2-CZ2 3.22Å; I42-V353 HydrophobicContact CD1-CB 4.42Å; I42-V353 HydrophobicContact CD1-CG1 4.04Å; I42-V353 HydrophobicContact CD1-CG2 4.38Å
43R93.4Very high84.7Confident42 Ų4260.9 Ų60.916%0.15830%0.296CS..EExtended strand (participates in β ladder)trans-153.7145.9-178.2-173.1162.1-79.3-95.6-4.5111.1I31 V45 Q378I31-R43 HydrophobicContact CB-CB 4.32Å; I31-R43 PolarHBondContact N-O 3.39Å; I31-R43 PolarHBondContact O-N 3.47Å; R43-V45 HydrophobicContact CG-CG1 3.8Å; R43-Q378 VanDerWaalsContact CZ-OE1 3.31Å
44A96Very high82.1Confident3 Ų368 Ų683%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-116.1143161.700000107.9V11 Y14 L15 L29 L30 F92V11-A44 HydrophobicContact CG1-CB 3.75Å; Y14-A44 HydrophobicContact CD1-CB 3.92Å; Y14-A44 HydrophobicContact CE1-CB 4.05Å; Y14-A44 VanDerWaalsContact CE1-O 3.23Å; Y14-A44 WeakPolarHBondContact CE1-O 3.32Å; L15-A44 HydrophobicContact CD2-CB 3.97Å; L15-A44 HydrophobicContact CG-CB 4.25Å; L29-A44 VanDerWaalsContact O-CA 3.31Å; L29-A44 WeakPolarHBondContact O-CA 3.45Å; L30-A44 HydrophobicContact CD2-CB 3.88Å; A44-F92 HydrophobicContact CB-CD1 4.29Å; A44-F92 HydrophobicContact CB-CE1 3.86Å
45V95.8Very high79.6Confident0 Ų075.3 Ų75.30%037%0.366CS..EExtended strand (participates in β ladder)trans-132.1127.8179.2-58.20000109.4G28 L29 I31 R43 V78 F92 L376G28-V45 CarbonylContact C-O 3.52Å; G28-V45 WeakPolarHBondContact CA-O 3.25Å; L29-V45 HydrophobicContact CB-CG2 3.81Å; L29-V45 HydrophobicContact CD1-CG2 4.29Å; L29-V45 HydrophobicContact CG-CG2 4.39Å; L29-V45 PolarHBondContact N-O 2.88Å; L29-V45 PolarHBondContact O-N 3.01Å; I31-V45 HydrophobicContact CD1-CG1 3.85Å; I31-V45 HydrophobicContact CD1-CG2 4.01Å; R43-V45 HydrophobicContact CG-CG1 3.8Å; V45-V78 HydrophobicContact CG2-CG2 4.46Å; V45-F92 WeakPolarHBondContact O-CE1 3.13Å; V45-L376 HydrophobicContact CG1-CB 4.3Å; V45-L376 HydrophobicContact CG1-CD2 4.04Å; V45-L376 VanDerWaalsContact CG1-O 3.31Å; V45-L376 WeakPolarHBondContact CG1-O 2.96Å
46R95.3Very high77.1Confident93 Ų9379.8 Ų79.835%0.35139%0.392SS..EExtended strand (participates in β ladder)trans-68.7139.2176.1178.7-179.768.5-174.3-2.8109.6Y14 L18 V26 H74 D377Y14-R46 VanDerWaalsContact OH-CB 3.31Å; Y14-R46 WeakPolarHBondContact OH-CB 3.49Å; Y14-R46 PolarHBondContact OH-N 3.17Å; L18-R46 HydrophobicContact CD1-CB 4.45Å; L18-R46 HydrophobicContact CD2-CB 4.35Å; V26-R46 HydrophobicContact CG1-CG 3.64Å; R46-H74 PolarHBondContact O-CE1 3.49Å; R46-D377 IonicContact NH2-OD1 2.79Å
47T94.3Very high75.3Confident10 Ų1083.7 Ų83.76%0.06141%0.406CS..PPolyproline II helixtrans-65.6128.7169.2-58.70000110T27 G28 I71 H74T27-T47 PolarHBondContact O-N 3.42Å; T27-T47 PolarHBondContact OG1-OG1 2.85Å; G28-T47 WeakPolarHBondContact CA-OG1 3.48Å; T47-I71 HydrophobicContact CG2-CG1 3.96Å; T47-H74 WeakPolarHBondContact CA-ND1 3.36Å; T47-H74 HydrophobicContact CG2-CB 4.1Å; T47-H74 PolarHBondContact OG1-ND1 3.02Å
48P91.1Very high73.3Confident12 Ų1282.4 Ų82.48%0.07841%0.408CS..PPolyproline II helixtrans-49.8138.5178.7-25.529.1000111.6K50 W70 E374 M375P48-K50 PolarHBondContact O-N 3.49Å; P48-W70 HydrophobicContact CB-CZ2 4.19Å; P48-W70 PolarHBondContact O-NE1 3.06Å; P48-E374 HydrophobicContact CB-CG 4.33Å; P48-E374 HydrophobicContact CG-CG 4.19Å; P48-E374 WeakPolarHBondContact CG-O 3.27Å; P48-M375 HydrophobicContact CG-CE 4.22Å
49P83.3Confident71.1Confident74 Ų7484.2 Ų84.248%0.48143%0.426SS..PPolyproline II helixtrans-63.3134.2169.429.3-32.3000108.6E51P49-E51 PolarHBondContact O-N 3.45Å
50K76.6Confident68.6Low88 Ų8890 Ų9038%0.38346%0.464SS..PPolyproline II helixtrans-61.5133.7164.7-70.8-163.6177.9-1660108.8P48 E52 D67 W70P48-K50 PolarHBondContact O-N 3.49Å; K50-E52 VanDerWaalsContact C-N 3.33Å; K50-E52 PolarHBondContact O-N 2.81Å; K50-D67 WeakPolarHBondContact CE-OD2 3.23Å; K50-D67 VanDerWaalsContact NZ-CG 3.29Å; K50-D67 IonicContact NZ-OD1 3.31Å; K50-D67 IonicContact NZ-OD2 2.77Å; K50-D67 PolarHBondContact NZ-OD2 2.87Å; K50-W70 HydrophobicContact CD-CD2 4.36Å; K50-W70 HydrophobicContact CD-CG 4.29Å; K50-W70 HydrophobicContact CG-CD2 3.86Å; K50-W70 HydrophobicContact CG-CE3 4.49Å; K50-W70 HydrophobicContact CG-CG 3.91Å; K50-W70 HydrophobicContact CG-CZ2 4.45Å
51E60.5Low66.2Low194 Ų19494.1 Ų94.191%0.90749%0.493SS*.  trans-65.897.8163.3-64.4-172.9168.400107.1P49 Q53P49-E51 PolarHBondContact O-N 3.45Å; E51-Q53 PolarHBondContact O-N 2.91Å
52E53.8Low64Low156 Ų156101.7 Ų101.773%0.72953%0.526SS*.  trans-68.8113.5171.5-73.2173.6-166.200107K50 N54K50-E52 VanDerWaalsContact C-N 3.33Å; K50-E52 PolarHBondContact O-N 2.81Å; E52-N54 PolarHBondContact O-N 2.78Å
53Q38.5Very low62.1Low187 Ų187102.7 Ų102.787%0.87453%0.531SS*.  trans-51.4117.1155.1-72.3-179.80.100106E51 E55E51-Q53 PolarHBondContact O-N 2.91Å; Q53-E55 PolarHBondContact O-N 3.48Å
54N39.8Very low60.1Low162 Ų162105.5 Ų105.587%0.86656%0.563SS**SBendtrans-49101.9179.5-75.5-49.5000109.8E52E52-N54 PolarHBondContact O-N 2.78Å
55E38.1Very low58.5Low183 Ų183108.6 Ų108.686%0.85558%0.584SS**  trans-158.1116.9156.9-113.8174.5-141.300113.3Q53Q53-E55 PolarHBondContact O-N 3.48Å
56V35.9Very low57.8Low114 Ų114109.9 Ų109.969%0.69159%0.591SS**  trans84109152-163.60000118.6V58V56-V58 HydrophobicContact CG1-CG2 4.44Å; V56-V58 PolarHBondContact O-N 2.97Å
57N42.3Very low57.4Low171 Ų171108.2 Ų108.291%0.91459%0.589SS**  trans-3497.2151.2-85.7-38.9000112.7
58V39.6Very low57.2Low119 Ų119111.6 Ų111.672%0.72160%0.604SS**  trans-121.2123.2157.6-176.90000106.8V56 P60V56-V58 HydrophobicContact CG1-CG2 4.44Å; V56-V58 PolarHBondContact O-N 2.97Å; V58-P60 VanDerWaalsContact O-N 3.13Å
59N42.2Very low57.3Low148 Ų148118.4 Ų118.479%0.79164%0.635SS**  trans-41.7119.8175.7-75.2-35.1000110.3S61N59-S61 PolarHBondContact O-N 3.12Å
60P42.6Very low57.7Low122 Ų122118.8 Ų118.879%0.79263%0.627SS**  trans-78.379.3-174.530.8-32.9000108.9V58V58-P60 VanDerWaalsContact O-N 3.13Å
61S44.1Very low58.6Low90 Ų90114.8 Ų114.863%0.62961%0.61SS**  trans-101.3127.6166.980.40000110.1N59N59-S61 PolarHBondContact O-N 3.12Å
62K48.8Very low60.3Low159 Ų159106.4 Ų106.469%0.69157%0.572SS**SBendtrans75.4156.6166.2-58.3173.8-179.6175.20115.1A64K62-A64 PolarHBondContact O-N 2.83Å
63L52.3Low62.2Low30 Ų30101 Ų10116%0.15755%0.554CS.*SBendtrans-51.713.7-173.1-131.384.9000118S65 I66 L99 D102 A106L63-S65 PolarHBondContact O-N 2.81Å; L63-S65 VanDerWaalsContact O-N 3.08Å; L63-I66 HydrophobicContact CD2-CD1 3.74Å; L63-I66 HydrophobicContact CG-CD1 3.81Å; L63-I66 HydrophobicContact CG-CG1 4.3Å; L63-I66 PolarHBondContact O-N 2.91Å; L63-L99 HydrophobicContact CD1-CB 3.97Å; L63-L99 HydrophobicContact CD1-CD1 4.19Å; L63-L99 HydrophobicContact CD1-CD2 4.04Å; L63-L99 HydrophobicContact CD1-CG 4.29Å; L63-D102 HydrophobicContact CB-CB 4.34Å; L63-D102 HydrophobicContact CD1-CB 3.9Å; L63-D102 VanDerWaalsContact CD2-C 3.49Å; L63-D102 HydrophobicContact CD2-CB 3.9Å; L63-D102 WeakPolarHBondContact CD2-O 3.39Å; L63-D102 HydrophobicContact CG-CB 4.27Å; L63-A106 HydrophobicContact CD2-CB 3.51Å
64A50.4Low65Low100 Ų10092.4 Ų92.483%0.82651%0.514SS*.THydrogen-bonded Turntrans-64.8-2.2176.200000114K62K62-A64 PolarHBondContact O-N 2.83Å
65S63.4Low67.7Low68 Ų6884.7 Ų84.748%0.47647%0.472SS..THydrogen-bonded Turntrans-91.7-5.617652.20000114.5P24 L63 D67P24-S65 WeakPolarHBondContact CG-OG 3.01Å; L63-S65 PolarHBondContact O-N 2.81Å; L63-S65 VanDerWaalsContact O-N 3.08Å; S65-D67 PolarHBondContact O-N 2.8Å
66I80.1Confident70.4Confident27 Ų2776.2 Ų76.214%0.13843%0.434CS..  trans-84.199.9173.7-60.8-176.4000108.6T27 L63 E68 I71 A106 L110T27-I66 HydrophobicContact CG2-CD1 4.26Å; T27-I66 HydrophobicContact CG2-CG1 4.14Å; T27-I66 HydrophobicContact CG2-CG2 4.42Å; L63-I66 HydrophobicContact CD2-CD1 3.74Å; L63-I66 HydrophobicContact CG-CD1 3.81Å; L63-I66 HydrophobicContact CG-CG1 4.3Å; L63-I66 PolarHBondContact O-N 2.91Å; I66-E68 PolarHBondContact O-N 2.96Å; I66-I71 HydrophobicContact CG2-CD1 3.62Å; I66-A106 HydrophobicContact CD1-CB 3.84Å; I66-L110 HydrophobicContact CG2-CD1 3.87Å; I66-L110 HydrophobicContact CG2-CD2 4.14Å; I66-L110 HydrophobicContact CG2-CG 4.36Å
67D87.5Confident73.2Confident59 Ų5974.5 Ų74.532%0.31642%0.418SS..  trans-82.3103175.4-166.7-51.7000110.6K50 S65 E69 W70 I71K50-D67 WeakPolarHBondContact CE-OD2 3.23Å; K50-D67 VanDerWaalsContact NZ-CG 3.29Å; K50-D67 IonicContact NZ-OD1 3.31Å; K50-D67 IonicContact NZ-OD2 2.77Å; K50-D67 PolarHBondContact NZ-OD2 2.87Å; S65-D67 PolarHBondContact O-N 2.8Å; D67-E69 PolarHBondContact OD1-N 3.23Å; D67-E69 VanDerWaalsContact OD1-N 3.09Å; D67-W70 HydrophobicContact CB-CB 3.82Å; D67-W70 PolarHBondContact O-N 2.83Å; D67-W70 WeakPolarHBondContact OD1-CB 3.46Å; D67-W70 PolarHBondContact OD1-N 2.96Å; D67-I71 WeakPolarHBondContact O-CD1 3.35Å; D67-I71 VanDerWaalsContact O-CG1 3.31Å; D67-I71 WeakPolarHBondContact O-CG1 3.27Å; D67-I71 PolarHBondContact O-N 3.12Å; D67-I71 VanDerWaalsContact O-N 3.09Å
68E91.3Very high75.8Confident81 Ų8166.4 Ų66.438%0.37938%0.375SS..Hα-helixtrans-59.6-45.6179.5-179.6178.1146.500111.6I66 W70 I71 T72 L110 S113I66-E68 PolarHBondContact O-N 2.96Å; E68-W70 PolarHBondContact O-N 3.46Å; E68-I71 PolarHBondContact O-N 3.19Å; E68-T72 HydrophobicContact CG-CG2 4.49Å; E68-T72 VanDerWaalsContact O-CG2 3.31Å; E68-T72 WeakPolarHBondContact O-CG2 3.47Å; E68-T72 PolarHBondContact O-N 3.14Å; E68-T72 PolarHBondContact O-OG1 3.43Å; E68-L110 HydrophobicContact CB-CD2 4.2Å; E68-L110 HydrophobicContact CG-CD2 4.17Å; E68-S113 VanDerWaalsContact CD-OG 3.31Å; E68-S113 WeakPolarHBondContact OE1-CB 3.22Å; E68-S113 PolarHBondContact OE1-OG 2.79Å
69E92.1Very high78.5Confident154 Ų15462 Ų6272%0.7235%0.35SS*.Hα-helixtrans-62.6-44.6-177.5-175.3171.1-163.800110.8D67 I71 T72 A73D67-E69 PolarHBondContact OD1-N 3.23Å; D67-E69 VanDerWaalsContact OD1-N 3.09Å; E69-I71 PolarHBondContact O-N 2.95Å; E69-T72 WeakPolarHBondContact CA-OG1 3.35Å; E69-T72 PolarHBondContact O-N 2.96Å; E69-T72 PolarHBondContact O-OG1 3.16Å; E69-A73 WeakPolarHBondContact O-CB 3.43Å; E69-A73 PolarHBondContact O-N 3.42Å
70W92.6Very high81Confident83 Ų8355.4 Ų55.431%0.31431%0.314SS..Hα-helixtrans-62.7-44176.9-170.3-117.2000113.2P48 K50 D67 E68 T72 A73 H74P48-W70 HydrophobicContact CB-CZ2 4.19Å; P48-W70 PolarHBondContact O-NE1 3.06Å; K50-W70 HydrophobicContact CD-CD2 4.36Å; K50-W70 HydrophobicContact CD-CG 4.29Å; K50-W70 HydrophobicContact CG-CD2 3.86Å; K50-W70 HydrophobicContact CG-CE3 4.49Å; K50-W70 HydrophobicContact CG-CG 3.91Å; K50-W70 HydrophobicContact CG-CZ2 4.45Å; D67-W70 HydrophobicContact CB-CB 3.82Å; D67-W70 PolarHBondContact O-N 2.83Å; D67-W70 WeakPolarHBondContact OD1-CB 3.46Å; D67-W70 PolarHBondContact OD1-N 2.96Å; E68-W70 PolarHBondContact O-N 3.46Å; W70-T72 VanDerWaalsContact C-N 3.3Å; W70-T72 PolarHBondContact O-N 3.25Å; W70-A73 PolarHBondContact O-N 2.97Å; W70-H74 WeakPolarHBondContact O-CB 3.43Å; W70-H74 PolarHBondContact O-N 2.8Å
71I95.1Very high83.5Confident3 Ų350 Ų502%0.01528%0.277CS..Hα-helixtrans-65.2-38.6176.6-66.3163.3000110.2T27 L29 T47 I66 D67 E68 E69 H74 A75 L110 V114T27-I71 HydrophobicContact CG2-CD1 4.07Å; T27-I71 WeakPolarHBondContact OG1-CD1 3.15Å; L29-I71 HydrophobicContact CD2-CG2 4.47Å; T47-I71 HydrophobicContact CG2-CG1 3.96Å; I66-I71 HydrophobicContact CG2-CD1 3.62Å; D67-I71 WeakPolarHBondContact O-CD1 3.35Å; D67-I71 VanDerWaalsContact O-CG1 3.31Å; D67-I71 WeakPolarHBondContact O-CG1 3.27Å; D67-I71 PolarHBondContact O-N 3.12Å; D67-I71 VanDerWaalsContact O-N 3.09Å; E68-I71 PolarHBondContact O-N 3.19Å; E69-I71 PolarHBondContact O-N 2.95Å; I71-H74 PolarHBondContact O-N 3.14Å; I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 2.9Å; I71-L110 HydrophobicContact CB-CD2 4.11Å; I71-L110 HydrophobicContact CD1-CD1 3.86Å; I71-L110 HydrophobicContact CD1-CD2 3.65Å; I71-L110 HydrophobicContact CD1-CG 4.43Å; I71-L110 HydrophobicContact CG1-CD2 4.49Å; I71-L110 HydrophobicContact CG2-CD2 4.14Å; I71-V114 HydrophobicContact CG2-CG2 4.16Å
72T95.7Very high86Confident19 Ų1946.1 Ų46.112%0.11725%0.25CC..Hα-helixtrans-68-35.3175.560.80000113.1E68 E69 W70 S76 S113 V114E68-T72 HydrophobicContact CG-CG2 4.49Å; E68-T72 VanDerWaalsContact O-CG2 3.31Å; E68-T72 WeakPolarHBondContact O-CG2 3.47Å; E68-T72 PolarHBondContact O-N 3.14Å; E68-T72 PolarHBondContact O-OG1 3.43Å; E69-T72 WeakPolarHBondContact CA-OG1 3.35Å; E69-T72 PolarHBondContact O-N 2.96Å; E69-T72 PolarHBondContact O-OG1 3.16Å; W70-T72 VanDerWaalsContact C-N 3.3Å; W70-T72 PolarHBondContact O-N 3.25Å; T72-S76 WeakPolarHBondContact O-CB 3.49Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 3.4Å; T72-S113 VanDerWaalsContact CG2-C 3.46Å; T72-V114 HydrophobicContact CG2-CG2 4.1Å
73A94.5Very high88.3Confident43 Ų4338.6 Ų38.636%0.35522%0.217SC..Hα-helixtrans-66.7-45.4173.800000110.8E69 W70 S76 Q77E69-A73 WeakPolarHBondContact O-CB 3.43Å; E69-A73 PolarHBondContact O-N 3.42Å; W70-A73 PolarHBondContact O-N 2.97Å; A73-S76 WeakPolarHBondContact O-CA 3.48Å; A73-S76 VanDerWaalsContact O-CB 3.25Å; A73-S76 WeakPolarHBondContact O-CB 3.32Å; A73-S76 PolarHBondContact O-N 2.92Å; A73-S76 VanDerWaalsContact O-N 3.15Å; A73-Q77 PolarHBondContact O-N 3.24Å
74H96.1Very high90.4Very high5 Ų537.3 Ų37.32%0.02321%0.211CC..Hα-helixtrans-58.9-49.3173.9175.1-138.9000111.8R46 T47 W70 I71 S76 Q77 V78 M375R46-H74 PolarHBondContact O-CE1 3.49Å; T47-H74 WeakPolarHBondContact CA-ND1 3.36Å; T47-H74 HydrophobicContact CG2-CB 4.1Å; T47-H74 PolarHBondContact OG1-ND1 3.02Å; W70-H74 WeakPolarHBondContact O-CB 3.43Å; W70-H74 PolarHBondContact O-N 2.8Å; I71-H74 PolarHBondContact O-N 3.14Å; H74-S76 PolarHBondContact O-N 3.05Å; H74-Q77 PolarHBondContact O-N 3.29Å; H74-Q77 VanDerWaalsContact O-N 3.13Å; H74-V78 WeakPolarHBondContact NE2-CG2 3.37Å; H74-V78 WeakPolarHBondContact O-CG2 3.33Å; H74-V78 PolarHBondContact O-N 3.27Å; H74-M375 PolarHBondContact NE2-O 3.49Å
75A97Very high92.5Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-61.4-32.7176.600000112.9L29 I71 S79 V114L29-A75 VanDerWaalsContact CD1-CA 3.45Å; L29-A75 HydrophobicContact CD1-CB 3.88Å; L29-A75 HydrophobicContact CD2-CB 3.77Å; L29-A75 HydrophobicContact CG-CB 4.49Å; I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 2.9Å; A75-S79 VanDerWaalsContact O-CB 3.26Å; A75-S79 WeakPolarHBondContact O-CB 3.33Å; A75-S79 PolarHBondContact O-N 3.16Å; A75-V114 HydrophobicContact CB-CB 4.33Å; A75-V114 HydrophobicContact CB-CG1 3.56Å; A75-V114 HydrophobicContact CB-CG2 3.92Å
76S95Very high94Very high6 Ų630.9 Ų30.94%0.04216%0.162CC..Hα-helixtrans-65.7-45.7175.2-70.10000111.3T72 A73 H74 S117 R121T72-S76 WeakPolarHBondContact O-CB 3.49Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 3.4Å; A73-S76 WeakPolarHBondContact O-CA 3.48Å; A73-S76 VanDerWaalsContact O-CB 3.25Å; A73-S76 WeakPolarHBondContact O-CB 3.32Å; A73-S76 PolarHBondContact O-N 2.92Å; A73-S76 VanDerWaalsContact O-N 3.15Å; H74-S76 PolarHBondContact O-N 3.05Å; S76-S117 PolarHBondContact OG-OG 3.16Å; S76-R121 VanDerWaalsContact CB-CZ 3.48Å; S76-R121 PolarHBondContact O-NH2 3.42Å
77Q94.4Very high94.8Very high78 Ų7831.4 Ų31.436%0.36417%0.165SC..Hα-helixtrans-68-47.9177-64.1-57.1-7.800111.6A73 H74 S79 R80 M81 M375A73-Q77 PolarHBondContact O-N 3.24Å; H74-Q77 PolarHBondContact O-N 3.29Å; H74-Q77 VanDerWaalsContact O-N 3.13Å; Q77-S79 PolarHBondContact O-N 2.97Å; Q77-R80 WeakPolarHBondContact O-CB 3.46Å; Q77-R80 PolarHBondContact O-N 2.94Å; Q77-M81 PolarHBondContact O-N 2.88Å; Q77-M375 HydrophobicContact CB-SD 3.74Å; Q77-M375 HydrophobicContact CG-SD 4.2Å
78V96.8Very high95.2Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-56.1-40.9176.7170.60000111.2L29 I31 V45 H74 R80 M81 L82 V88 M375 L376L29-V78 HydrophobicContact CD1-CB 3.97Å; L29-V78 HydrophobicContact CD1-CG1 4.25Å; L29-V78 HydrophobicContact CD1-CG2 3.91Å; I31-V78 HydrophobicContact CD1-CG1 3.62Å; I31-V78 HydrophobicContact CG1-CG1 4.07Å; V45-V78 HydrophobicContact CG2-CG2 4.46Å; H74-V78 WeakPolarHBondContact NE2-CG2 3.37Å; H74-V78 WeakPolarHBondContact O-CG2 3.33Å; H74-V78 PolarHBondContact O-N 3.27Å; V78-R80 PolarHBondContact O-N 2.85Å; V78-M81 WeakPolarHBondContact O-CA 3.33Å; V78-M81 WeakPolarHBondContact O-CB 3.17Å; V78-M81 PolarHBondContact O-N 3.15Å; V78-L82 HydrophobicContact CG1-CD2 4.49Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.32Å; V78-V88 HydrophobicContact CG1-CG2 4.18Å; V78-M375 HydrophobicContact CG2-CB 4.46Å; V78-M375 VanDerWaalsContact CG2-O 3.3Å; V78-M375 WeakPolarHBondContact CG2-O 3.49Å; V78-L376 HydrophobicContact CG1-CD2 4.12Å; V78-L376 HydrophobicContact CG2-CD2 4.12Å
79S96.3Very high95.5Very high28 Ų2825.3 Ų25.320%0.19614%0.135CC..Hα-helixtrans-60.8-28.7177.5-174.50000114.1A75 Q77 M81 V118A75-S79 VanDerWaalsContact O-CB 3.26Å; A75-S79 WeakPolarHBondContact O-CB 3.33Å; A75-S79 PolarHBondContact O-N 3.16Å; Q77-S79 PolarHBondContact O-N 2.97Å; S79-M81 VanDerWaalsContact C-N 3.3Å; S79-V118 WeakPolarHBondContact OG-CG1 3.31Å
80R94.1Very high95.7Very high9 Ų918.2 Ų18.23%0.03410%0.104CC..Hα-helixtrans-74.3-25.4173.7-66.4-178.5171.9164.4-1.5111.6Q77 V78 L82 R121 E316 E320Q77-R80 WeakPolarHBondContact O-CB 3.46Å; Q77-R80 PolarHBondContact O-N 2.94Å; V78-R80 PolarHBondContact O-N 2.85Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.36Å; R80-R121 VanDerWaalsContact CZ-NH1 3.31Å; R80-E316 IonicContact CZ-OE2 3.56Å; R80-E316 IonicContact NE-OE2 2.7Å; R80-E316 IonicContact NH2-OE2 3.28Å; R80-E316 PolarHBondContact NH2-OE2 2.5Å; R80-E320 IonicContact CZ-OE1 3.21Å; R80-E320 IonicContact CZ-OE2 3.14Å; R80-E320 IonicContact NH1-OE1 2.7Å; R80-E320 PolarHBondContact NH1-OE1 2.83Å; R80-E320 VanDerWaalsContact NH1-OE1 3.14Å; R80-E320 IonicContact NH1-OE2 2.74Å; R80-E320 PolarHBondContact NH1-OE2 2.89Å; R80-E320 IonicContact NH2-OE1 2.63Å; R80-E320 PolarHBondContact NH2-OE1 2.9Å; R80-E320 IonicContact NH2-OE2 2.76Å
81M96.1Very high96Very high7 Ų714.3 Ų14.33%0.0349%0.089CC..THydrogen-bonded Turntrans-832.3178.5-59.3-178.686.500113.7Q77 V78 S79 P83 S356 D357 F372 M375 L376Q77-M81 PolarHBondContact O-N 2.88Å; V78-M81 WeakPolarHBondContact O-CA 3.33Å; V78-M81 WeakPolarHBondContact O-CB 3.17Å; V78-M81 PolarHBondContact O-N 3.15Å; S79-M81 VanDerWaalsContact C-N 3.3Å; M81-P83 WeakPolarHBondContact O-CD 3.33Å; M81-S356 CarbonylContact C-O 3.6Å; M81-S356 WeakPolarHBondContact CA-O 3.3Å; M81-S356 WeakPolarHBondContact CB-O 3.24Å; M81-S356 WeakPolarHBondContact CG-O 3.33Å; M81-S356 PolarHBondContact O-N 3.11Å; M81-S356 PolarHBondContact O-OG 3.45Å; M81-D357 HydrophobicContact CE-CB 4.08Å; M81-F372 HydrophobicContact CE-CD1 4.12Å; M81-F372 HydrophobicContact CE-CD2 3.93Å; M81-F372 HydrophobicContact CE-CE1 3.88Å; M81-F372 HydrophobicContact CE-CE2 3.73Å; M81-F372 HydrophobicContact CE-CG 4.13Å; M81-F372 HydrophobicContact CE-CZ 3.68Å; M81-M375 HydrophobicContact SD-CB 3.72Å; M81-M375 HydrophobicContact SD-CG 4.22Å; M81-L376 HydrophobicContact CE-CD1 3.51Å; M81-L376 HydrophobicContact CE-CG 4.21Å; M81-L376 HydrophobicContact SD-CD1 3.91Å; M81-L376 HydrophobicContact SD-CG 4.08Å
82L96.8Very high96.1Very high9 Ų914.2 Ų14.25%0.0479%0.088CC..PPolyproline II helixtrans-103.6120.3-178.2-58.5-174.8000111.6I31 V78 R80 L86 L87 V88 L355I31-L82 HydrophobicContact CD1-CD2 4.32Å; I31-L82 HydrophobicContact CG2-CD1 4.05Å; I31-L82 HydrophobicContact CG2-CD2 3.54Å; I31-L82 HydrophobicContact CG2-CG 4.47Å; V78-L82 HydrophobicContact CG1-CD2 4.49Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.32Å; R80-L82 VanDerWaalsContact C-N 3.27Å; R80-L82 PolarHBondContact O-N 3.36Å; L82-L86 HydrophobicContact CB-CB 4.18Å; L82-L87 VanDerWaalsContact CD1-C 3.41Å; L82-L87 VanDerWaalsContact CD1-CA 3.46Å; L82-V88 HydrophobicContact CD1-CG2 4.18Å; L82-L355 HydrophobicContact CD2-CD2 3.82Å
83P96.2Very high96Very high2 Ų213.3 Ų13.31%0.0138%0.083CC..PPolyproline II helixtrans-66.6169.4169-25.737.9000113.4M81 G85 L86 R286 Y288 D306 F345 M354M81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-G85 PolarHBondContact O-N 3.4Å; P83-L86 PolarHBondContact O-N 3.21Å; P83-L86 VanDerWaalsContact O-N 3.14Å; P83-R286 WeakPolarHBondContact CB-O 3.45Å; P83-Y288 HydrophobicContact CB-CD2 4.07Å; P83-Y288 HydrophobicContact CB-CE2 3.91Å; P83-Y288 HydrophobicContact CG-CE2 4.05Å; P83-D306 VanDerWaalsContact CA-OD1 3.31Å; P83-D306 WeakPolarHBondContact CA-OD1 3.35Å; P83-F345 HydrophobicContact CG-CD1 4.38Å; P83-F345 HydrophobicContact CG-CE1 4.04Å; P83-M354 WeakPolarHBondContact CG-O 3.47Å
84G96.3Very high96Very high3 Ų311.2 Ų11.23%0.0317%0.066CC..BIsolated β-bridgetrans-48.3136.5179.600000114L86 R286 A287 Y288 A302 D306G84-L86 PolarHBondContact O-N 3.31Å; G84-R286 PolarHBondContact N-O 3.01Å; G84-A287 CarbonylContact O-C 3.52Å; G84-A287 VanDerWaalsContact O-CA 3.24Å; G84-A287 WeakPolarHBondContact O-CA 3.37Å; G84-Y288 PolarHBondContact O-N 2.87Å; G84-A302 VanDerWaalsContact CA-O 3.29Å; G84-A302 WeakPolarHBondContact CA-O 3.31Å; G84-D306 PolarHBondContact N-OD1 3.28Å
85G94.5Very high95.7Very high19 Ų1911 Ų1120%0.1967%0.065CC..THydrogen-bonded Turntrans83.8-10.9178.900000114.4Q33 P83Q33-G85 WeakPolarHBondContact CB-O 3.39Å; Q33-G85 WeakPolarHBondContact CG-O 3.43Å; Q33-G85 PolarHBondContact NE2-O 3.4Å; P83-G85 PolarHBondContact O-N 3.4Å
86L95.9Very high95.3Very high14 Ų1412.7 Ų12.77%0.0738%0.075CC..  trans-101.8146.7169.7-56.8176.5000110.6G32 Q33 I42 L82 P83 G84 W175 Y288 V353 L355G32-L86 CarbonylContact O-C 3.51Å; G32-L86 WeakPolarHBondContact O-CA 3.38Å; Q33-L86 HydrophobicContact CB-CD2 4.48Å; I42-L86 HydrophobicContact CD1-CD1 4.29Å; I42-L86 HydrophobicContact CD1-CD2 3.95Å; L82-L86 HydrophobicContact CB-CB 4.18Å; P83-L86 PolarHBondContact O-N 3.21Å; P83-L86 VanDerWaalsContact O-N 3.14Å; G84-L86 PolarHBondContact O-N 3.31Å; L86-W175 HydrophobicContact CD2-CH2 3.94Å; L86-W175 HydrophobicContact CD2-CZ3 3.75Å; L86-Y288 HydrophobicContact CD1-CD2 4.14Å; L86-V353 HydrophobicContact CD1-CG1 3.47Å; L86-V353 VanDerWaalsContact CD1-CG1 3.47Å; L86-L355 HydrophobicContact CD1-CD2 4.36Å
87L95.7Very high94.8Very high37 Ų3715.6 Ų15.619%0.1949%0.094CC..EExtended strand (participates in β ladder)trans-153.5166.2178.564.397000111.7G32 C34 L82 L89G32-L87 PolarHBondContact N-O 3.07Å; G32-L87 PolarHBondContact O-N 3.47Å; C34-L87 HydrophobicContact CB-CD2 4.32Å; L82-L87 VanDerWaalsContact CD1-C 3.41Å; L82-L87 VanDerWaalsContact CD1-CA 3.46Å; L87-L89 HydrophobicContact CD1-CD2 3.61Å; L87-L89 HydrophobicContact CD1-CG 4.23Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L87-L89 PolarHBondContact O-N 3.14Å; L87-L89 VanDerWaalsContact O-N 3.16Å
88V97.2Very high94.4Very high12 Ų1219.1 Ų19.17%0.07311%0.11CC..EExtended strand (participates in β ladder)trans-73.7100.2169.1178.60000108.2L29 L30 V78 L82 G90 V114L29-V88 HydrophobicContact CB-CG1 4.28Å; L29-V88 HydrophobicContact CD2-CG1 4.12Å; L30-V88 CarbonylContact O-C 3.54Å; L30-V88 WeakPolarHBondContact O-CA 3.29Å; V78-V88 HydrophobicContact CG1-CG2 4.18Å; L82-V88 HydrophobicContact CD1-CG2 4.18Å; V88-G90 PolarHBondContact O-N 2.92Å; V88-V114 HydrophobicContact CG1-CG1 4.32Å
89L96.9Very high93.8Very high0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-71.9-19.7-176-69.2176.7000113L30 C34 Y40 V41 L87 R134 A135L30-L89 HydrophobicContact CB-CB 4.43Å; L30-L89 PolarHBondContact O-N 3.37Å; C34-L89 HydrophobicContact CB-CD2 4.38Å; C34-L89 WeakPolarHBondContact SG-CD2 3.49Å; Y40-L89 WeakPolarHBondContact O-CD1 3.43Å; V41-L89 HydrophobicContact CG2-CD1 3.88Å; L87-L89 HydrophobicContact CD1-CD2 3.61Å; L87-L89 HydrophobicContact CD1-CG 4.23Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L87-L89 PolarHBondContact O-N 3.14Å; L87-L89 VanDerWaalsContact O-N 3.16Å; L89-R134 CarbonylContact O-C 3.56Å; L89-R134 VanDerWaalsContact O-CA 3.3Å; L89-R134 WeakPolarHBondContact O-CA 3.34Å; L89-R134 WeakPolarHBondContact O-CD 3.2Å; L89-A135 PolarHBondContact O-N 3.35Å
90G97.4Very high93.1Very high5 Ų520.3 Ų20.35%0.05212%0.118CC..EExtended strand (participates in β ladder)trans168.7-171.1-175.500000113.2L30 V88 A135L30-G90 PolarHBondContact N-O 2.96Å; V88-G90 PolarHBondContact O-N 2.92Å; G90-A135 CarbonylContact C-O 3.52Å; G90-A135 WeakPolarHBondContact CA-O 3.35Å
91V98Very high92.6Very high1 Ų128.3 Ų28.31%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-122.3149.7178.4-70.90000109.4G28 L29 L107 L110 I111 V114 A135 L137G28-V91 CarbonylContact O-C 3.56Å; G28-V91 VanDerWaalsContact O-CA 3.3Å; G28-V91 WeakPolarHBondContact O-CA 3.31Å; L29-V91 HydrophobicContact CD2-CG1 3.91Å; V91-L107 HydrophobicContact CB-CD2 4.32Å; V91-L107 HydrophobicContact CG2-CD2 3.63Å; V91-L110 HydrophobicContact CG1-CB 4.44Å; V91-L110 HydrophobicContact CG2-CB 4.15Å; V91-I111 HydrophobicContact CG2-CD1 4.24Å; V91-I111 HydrophobicContact CG2-CG1 3.52Å; V91-V114 HydrophobicContact CG1-CG2 4.11Å; V91-A135 PolarHBondContact N-O 2.75Å; V91-L137 PolarHBondContact O-N 3.47Å
92F96.9Very high92.1Very high1 Ų131.3 Ų31.30%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-121.3151.1171.173.5-97.2000112L15 L18 T27 G28 L29 L30 A44 V45 I94 L137L15-F92 HydrophobicContact CD2-CD1 4.11Å; L15-F92 HydrophobicContact CD2-CD2 3.78Å; L15-F92 HydrophobicContact CD2-CE1 4.05Å; L15-F92 HydrophobicContact CD2-CE2 3.74Å; L15-F92 HydrophobicContact CD2-CG 3.97Å; L15-F92 HydrophobicContact CD2-CZ 3.87Å; L18-F92 HydrophobicContact CD1-CE2 3.84Å; L18-F92 HydrophobicContact CD1-CZ 3.88Å; T27-F92 WeakPolarHBondContact CA-O 3.45Å; G28-F92 VanDerWaalsContact C-CD1 3.4Å; G28-F92 VanDerWaalsContact C-CE1 3.41Å; G28-F92 PolarHBondContact N-O 3.43Å; G28-F92 PolarHBondContact O-N 3.03Å; L29-F92 WeakPolarHBondContact O-CE1 3.32Å; L30-F92 HydrophobicContact CD2-CB 4.41Å; L30-F92 HydrophobicContact CD2-CD1 3.85Å; L30-F92 HydrophobicContact CG-CD1 4.31Å; A44-F92 HydrophobicContact CB-CD1 4.29Å; A44-F92 HydrophobicContact CB-CE1 3.86Å; V45-F92 WeakPolarHBondContact O-CE1 3.13Å; F92-I94 HydrophobicContact CD2-CD1 4.45Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 4.15Å; F92-I94 HydrophobicContact CE2-CG1 4.08Å; F92-L137 CarbonylContact C-O 3.55Å; F92-L137 WeakPolarHBondContact CA-O 3.19Å; F92-L137 HydrophobicContact CB-CB 3.79Å; F92-L137 HydrophobicContact CB-CD2 4Å; F92-L137 HydrophobicContact CB-CG 4.34Å
93V94.8Very high91.6Very high0 Ų030.9 Ų30.90%017%0.167CC..EExtended strand (participates in β ladder)trans-132.3125.3170.6177.10000108.9C25 V26 T27 A95 L107 L137 Q138 V139C25-V93 HydrophobicContact CB-CG1 4.17Å; V26-V93 CarbonylContact O-C 3.59Å; V26-V93 WeakPolarHBondContact O-CA 3.34Å; T27-V93 HydrophobicContact CG2-CG2 4.04Å; V93-A95 HydrophobicContact CG1-CB 4.08Å; V93-L107 HydrophobicContact CB-CD1 4.41Å; V93-L107 HydrophobicContact CB-CD2 4.21Å; V93-L107 HydrophobicContact CB-CG 4.26Å; V93-L107 HydrophobicContact CG2-CD1 4.47Å; V93-L107 HydrophobicContact CG2-CD2 3.6Å; V93-L107 HydrophobicContact CG2-CG 3.79Å; V93-L137 PolarHBondContact N-O 2.67Å; V93-Q138 WeakPolarHBondContact O-CA 3.42Å; V93-V139 PolarHBondContact O-N 3Å
94I93.2Very high91.1Very high0 Ų031.5 Ų31.50%017%0.17CC..EExtended strand (participates in β ladder)trans-100.5116.6168.8-46.8-176.3000107.2L15 L18 T20 C25 V26 F92 V139L15-I94 HydrophobicContact CD2-CD1 4.42Å; L15-I94 WeakPolarHBondContact O-CD1 3.43Å; L18-I94 HydrophobicContact CB-CD1 3.53Å; L18-I94 HydrophobicContact CD1-CD1 3.72Å; L18-I94 HydrophobicContact CG-CD1 4.26Å; T20-I94 HydrophobicContact CG2-CB 4.48Å; T20-I94 HydrophobicContact CG2-CG2 3.88Å; C25-I94 CarbonylContact C-O 3.5Å; C25-I94 WeakPolarHBondContact CA-O 3.36Å; C25-I94 WeakPolarHBondContact CB-O 3.21Å; V26-I94 HydrophobicContact CB-CB 4.22Å; V26-I94 PolarHBondContact N-O 3.22Å; V26-I94 PolarHBondContact O-N 3.1Å; F92-I94 HydrophobicContact CD2-CD1 4.45Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 4.15Å; F92-I94 HydrophobicContact CE2-CG1 4.08Å; I94-V139 WeakPolarHBondContact CA-O 3.04Å; I94-V139 HydrophobicContact CB-CB 4.45Å; I94-V139 HydrophobicContact CG1-CB 4.06Å; I94-V139 HydrophobicContact CG1-CG2 4.37Å; I94-V139 HydrophobicContact CG2-CB 4.33Å
95A90.5Very high90.7Very high0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-140.5159.6-175.100000111.6C25 V93 L99 V139 S141C25-A95 HydrophobicContact CB-CB 4.15Å; V93-A95 HydrophobicContact CG1-CB 4.08Å; A95-L99 HydrophobicContact CB-CB 4.24Å; A95-V139 PolarHBondContact N-O 2.96Å; A95-S141 PolarHBondContact O-N 3.44Å; A95-S141 PolarHBondContact O-OG 3.24Å
96T88.4Confident90.5Very high36 Ų3636.3 Ų36.322%0.22119%0.193CC..  trans-67.9157.9173.2670000111.2E98 L99 S141T96-E98 WeakPolarHBondContact CB-OE2 3.31Å; T96-E98 PolarHBondContact O-N 2.68Å; T96-E98 PolarHBondContact OG1-OE2 3.22Å; T96-L99 PolarHBondContact O-N 3.26Å; T96-L99 VanDerWaalsContact O-N 3.11Å; T96-S141 WeakPolarHBondContact CA-OG 3.28Å
97P84.9Confident90.4Very high67 Ų6735.6 Ų35.644%0.43519%0.189SC..G310 helixtrans-55.9-32.5-179.8-24.232.8000113.9L99 A100 A142P97-L99 VanDerWaalsContact C-N 3.26Å; P97-L99 PolarHBondContact O-N 3.02Å; P97-A100 WeakPolarHBondContact O-CB 3.47Å; P97-A100 PolarHBondContact O-N 2.99Å; P97-A142 HydrophobicContact CG-CB 4.01Å
98E85.5Confident90.3Very high152 Ų15237.2 Ų37.271%0.7119%0.193SC*.G310 helixtrans-65.8-30.7-179-51.883.2-159.100112.1T96T96-E98 WeakPolarHBondContact CB-OE2 3.31Å; T96-E98 PolarHBondContact O-N 2.68Å; T96-E98 PolarHBondContact OG1-OE2 3.22Å
99L83.8Confident90.2Very high22 Ų2243.2 Ų43.212%0.11522%0.218CC..G310 helixtrans-92.87.2-177.4-64.8175.8000113.3P24 L63 A95 T96 P97 K101 D102 S103P24-L99 HydrophobicContact CB-CD1 4.09Å; L63-L99 HydrophobicContact CD1-CB 3.97Å; L63-L99 HydrophobicContact CD1-CD1 4.19Å; L63-L99 HydrophobicContact CD1-CD2 4.04Å; L63-L99 HydrophobicContact CD1-CG 4.29Å; A95-L99 HydrophobicContact CB-CB 4.24Å; T96-L99 PolarHBondContact O-N 3.26Å; T96-L99 VanDerWaalsContact O-N 3.11Å; P97-L99 VanDerWaalsContact C-N 3.26Å; P97-L99 PolarHBondContact O-N 3.02Å; L99-K101 PolarHBondContact O-N 2.89Å; L99-D102 PolarHBondContact O-N 2.78Å; L99-S103 WeakPolarHBondContact O-CB 3.35Å; L99-S103 PolarHBondContact O-N 3.02Å; L99-S103 PolarHBondContact O-OG 2.97Å
100A82.4Confident90.1Very high30 Ų3043.4 Ų43.425%0.24822%0.219CC..Hα-helixtrans-60.5-44.3-170.100000113.7P97 S103 Q104 Q138P97-A100 WeakPolarHBondContact O-CB 3.47Å; P97-A100 PolarHBondContact O-N 2.99Å; A100-S103 PolarHBondContact O-OG 2.92Å; A100-Q104 WeakPolarHBondContact O-CG 3.19Å; A100-Q104 PolarHBondContact O-N 2.86Å; A100-Q138 VanDerWaalsContact CB-NE2 3.27Å; A100-Q138 PolarHBondContact O-NE2 2.92Å
101K84.3Confident90.1Very high177 Ų17743.4 Ų43.477%0.7722%0.217SC*.Hα-helixtrans-67.9-41.4179.6-69.8-176.9179.51780112.1L99 Q104 N105L99-K101 PolarHBondContact O-N 2.89Å; K101-Q104 PolarHBondContact O-N 2.83Å; K101-N105 PolarHBondContact O-N 2.94Å
102D84.9Confident90Very high70 Ų7045.4 Ų45.437%0.37423%0.226SC..Hα-helixtrans-67.3-41.3-179.5-66.8-17.6000110.8L63 L99 Q104 N105 A106L63-D102 HydrophobicContact CB-CB 4.34Å; L63-D102 HydrophobicContact CD1-CB 3.9Å; L63-D102 VanDerWaalsContact CD2-C 3.49Å; L63-D102 HydrophobicContact CD2-CB 3.9Å; L63-D102 WeakPolarHBondContact CD2-O 3.39Å; L63-D102 HydrophobicContact CG-CB 4.27Å; L99-D102 PolarHBondContact O-N 2.78Å; D102-Q104 VanDerWaalsContact C-N 3.26Å; D102-Q104 PolarHBondContact O-N 3.16Å; D102-N105 PolarHBondContact O-N 3.25Å; D102-N105 VanDerWaalsContact O-N 3.14Å; D102-A106 PolarHBondContact O-N 3.14Å
103S85.1Confident89.9Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-58.9-34.6176.572.40000113.1L99 A100 A106 L107 Q138L99-S103 WeakPolarHBondContact O-CB 3.35Å; L99-S103 PolarHBondContact O-N 3.02Å; L99-S103 PolarHBondContact O-OG 2.97Å; A100-S103 PolarHBondContact O-OG 2.92Å; S103-A106 PolarHBondContact O-N 2.83Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 VanDerWaalsContact O-CG 3.28Å; S103-L107 WeakPolarHBondContact O-CG 3.47Å; S103-L107 PolarHBondContact O-N 3.37Å; S103-Q138 PolarHBondContact OG-NE2 3.43Å; S103-Q138 VanDerWaalsContact OG-NE2 3.15Å
104Q85.9Confident90Very high15 Ų1547 Ų477%0.0724%0.237CC..Hα-helixtrans-67.5-39.9176.9-74.7-71.6-29.800112.4A100 K101 D102 R108 Q138 R149A100-Q104 WeakPolarHBondContact O-CG 3.19Å; A100-Q104 PolarHBondContact O-N 2.86Å; K101-Q104 PolarHBondContact O-N 2.83Å; D102-Q104 VanDerWaalsContact C-N 3.26Å; D102-Q104 PolarHBondContact O-N 3.16Å; Q104-R108 PolarHBondContact O-N 3.5Å; Q104-Q138 VanDerWaalsContact CG-OE1 3.25Å; Q104-Q138 VanDerWaalsContact NE2-CB 3.28Å; Q104-R149 VanDerWaalsContact CD-NH1 3.33Å
105N87.8Confident90.1Very high108 Ų10848 Ų4858%0.57824%0.242SC*.Hα-helixtrans-68.6-38.6176-71.2-21.7000111.5K101 D102 K109K101-N105 PolarHBondContact O-N 2.94Å; D102-N105 PolarHBondContact O-N 3.25Å; D102-N105 VanDerWaalsContact O-N 3.14Å; N105-K109 PolarHBondContact O-N 2.54Å
106A91.3Very high90.3Very high15 Ų1556 Ų5612%0.12428%0.277CS..Hα-helixtrans-65.2-45.4175.100000112.1L63 I66 D102 S103 R108 K109 L110L63-A106 HydrophobicContact CD2-CB 3.51Å; I66-A106 HydrophobicContact CD1-CB 3.84Å; D102-A106 PolarHBondContact O-N 3.14Å; S103-A106 PolarHBondContact O-N 2.83Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 2.91Å; A106-K109 PolarHBondContact O-N 3.48Å; A106-K109 VanDerWaalsContact O-N 3.08Å; A106-L110 VanDerWaalsContact O-CG 3.32Å; A106-L110 WeakPolarHBondContact O-CG 3.34Å; A106-L110 PolarHBondContact O-N 2.95Å
107L93.8Very high90.6Very high0 Ų056.1 Ų56.10%028%0.278CS..Hα-helixtrans-53.7-43.7176.3-82.1166.7000112.2V91 V93 S103 L110 I111 A136 Q138V91-L107 HydrophobicContact CB-CD2 4.32Å; V91-L107 HydrophobicContact CG2-CD2 3.63Å; V93-L107 HydrophobicContact CB-CD1 4.41Å; V93-L107 HydrophobicContact CB-CD2 4.21Å; V93-L107 HydrophobicContact CB-CG 4.26Å; V93-L107 HydrophobicContact CG2-CD1 4.47Å; V93-L107 HydrophobicContact CG2-CD2 3.6Å; V93-L107 HydrophobicContact CG2-CG 3.79Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 VanDerWaalsContact O-CG 3.28Å; S103-L107 WeakPolarHBondContact O-CG 3.47Å; S103-L107 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 2.73Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.23Å; L107-A136 HydrophobicContact CB-CB 3.88Å; L107-A136 HydrophobicContact CD1-CB 4.25Å; L107-A136 HydrophobicContact CD2-CB 4.33Å; L107-A136 HydrophobicContact CG-CB 4.39Å; L107-Q138 HydrophobicContact CD1-CB 3.95Å
108R93.6Very high91Very high71 Ų7153.2 Ų53.227%0.26826%0.26SS..Hα-helixtrans-56.9-54.4174.9-176.7-166.7177.581.91.4111Q104 A106 L110 I111 F112 Y151 P156 S158Q104-R108 PolarHBondContact O-N 3.5Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 2.91Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 PolarHBondContact O-N 2.96Å; R108-I111 PolarHBondContact O-N 3.36Å; R108-F112 HydrophobicContact CG-CD2 4.14Å; R108-F112 HydrophobicContact CG-CE2 3.92Å; R108-F112 VanDerWaalsContact O-CD2 3.25Å; R108-F112 WeakPolarHBondContact O-CD2 3.31Å; R108-F112 PolarHBondContact O-N 2.96Å; R108-Y151 HydrophobicContact CB-CE1 4.2Å; R108-Y151 HydrophobicContact CB-CE2 4.35Å; R108-Y151 HydrophobicContact CG-CD1 4.17Å; R108-Y151 HydrophobicContact CG-CE1 3.83Å; R108-Y151 VanDerWaalsContact NH1-CD1 3.28Å; R108-P156 PolarHBondContact NH2-O 3.18Å; R108-P156 VanDerWaalsContact NH2-O 3.08Å; R108-S158 PolarHBondContact NH1-O 2.88Å; R108-S158 PolarHBondContact NH2-O 2.95Å
109K93.7Very high91.3Very high137 Ų13748 Ų4860%0.59624%0.24SC*.Hα-helixtrans-57.6-48.3-178.2-68.7-178.8179.2-176.40110.9N105 A106 I111 F112 S113N105-K109 PolarHBondContact O-N 2.54Å; A106-K109 PolarHBondContact O-N 3.48Å; A106-K109 VanDerWaalsContact O-N 3.08Å; K109-I111 VanDerWaalsContact C-N 3.34Å; K109-I111 PolarHBondContact O-N 2.88Å; K109-F112 PolarHBondContact O-N 2.87Å; K109-S113 PolarHBondContact O-N 2.84Å; K109-S113 PolarHBondContact O-OG 3Å
110L95.8Very high91.6Very high4 Ų455.2 Ų55.22%0.02127%0.27CS..Hα-helixtrans-57.2-43.4179.5-70.4175.4000112.7I66 E68 I71 V91 A106 L107 R108 F112 S113 V114I66-L110 HydrophobicContact CG2-CD1 3.87Å; I66-L110 HydrophobicContact CG2-CD2 4.14Å; I66-L110 HydrophobicContact CG2-CG 4.36Å; E68-L110 HydrophobicContact CB-CD2 4.2Å; E68-L110 HydrophobicContact CG-CD2 4.17Å; I71-L110 HydrophobicContact CB-CD2 4.11Å; I71-L110 HydrophobicContact CD1-CD1 3.86Å; I71-L110 HydrophobicContact CD1-CD2 3.65Å; I71-L110 HydrophobicContact CD1-CG 4.43Å; I71-L110 HydrophobicContact CG1-CD2 4.49Å; I71-L110 HydrophobicContact CG2-CD2 4.14Å; V91-L110 HydrophobicContact CG1-CB 4.44Å; V91-L110 HydrophobicContact CG2-CB 4.15Å; A106-L110 VanDerWaalsContact O-CG 3.32Å; A106-L110 WeakPolarHBondContact O-CG 3.34Å; A106-L110 PolarHBondContact O-N 2.95Å; L107-L110 PolarHBondContact O-N 2.73Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 PolarHBondContact O-N 2.96Å; L110-F112 PolarHBondContact O-N 2.83Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-V114 VanDerWaalsContact O-CB 3.25Å; L110-V114 WeakPolarHBondContact O-CB 3.4Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 2.89Å
111I96.5Very high91.7Very high5 Ų555.8 Ų55.83%0.02627%0.266CS..Hα-helixtrans-57-50.2178.6-77.1173.4000111.6V91 L107 R108 K109 E115 R134 A135 A136 Y151 V153V91-I111 HydrophobicContact CG2-CD1 4.24Å; V91-I111 HydrophobicContact CG2-CG1 3.52Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.23Å; R108-I111 PolarHBondContact O-N 3.36Å; K109-I111 VanDerWaalsContact C-N 3.34Å; K109-I111 PolarHBondContact O-N 2.88Å; I111-E115 WeakPolarHBondContact O-CB 3.14Å; I111-E115 PolarHBondContact O-N 3.11Å; I111-R134 HydrophobicContact CG2-CB 3.81Å; I111-R134 HydrophobicContact CG2-CG 4.43Å; I111-A135 WeakPolarHBondContact CD1-O 3.16Å; I111-A136 HydrophobicContact CD1-CB 3.53Å; I111-Y151 HydrophobicContact CD1-CD2 3.5Å; I111-Y151 VanDerWaalsContact CD1-CD2 3.5Å; I111-Y151 HydrophobicContact CD1-CE2 4.06Å; I111-Y151 HydrophobicContact CD1-CG 4.49Å; I111-V153 HydrophobicContact CG2-CG1 3.58Å
112F96.1Very high92Very high44 Ų4449.5 Ų49.519%0.19324%0.238CC..Hα-helixtrans-67.3-39.3-178.3-74.3-77000111.5R108 K109 L110 K116R108-F112 HydrophobicContact CG-CD2 4.14Å; R108-F112 HydrophobicContact CG-CE2 3.92Å; R108-F112 VanDerWaalsContact O-CD2 3.25Å; R108-F112 WeakPolarHBondContact O-CD2 3.31Å; R108-F112 PolarHBondContact O-N 2.96Å; K109-F112 PolarHBondContact O-N 2.87Å; L110-F112 PolarHBondContact O-N 2.83Å; F112-K116 WeakPolarHBondContact O-CB 3Å; F112-K116 PolarHBondContact O-N 2.98Å
113S96.3Very high92.4Very high25 Ų2546.7 Ų46.718%0.17522%0.223CC..Hα-helixtrans-69.7-40.3179.3-59.70000112.4E68 T72 K109 L110 K116 S117E68-S113 VanDerWaalsContact CD-OG 3.31Å; E68-S113 WeakPolarHBondContact OE1-CB 3.22Å; E68-S113 PolarHBondContact OE1-OG 2.79Å; T72-S113 VanDerWaalsContact CG2-C 3.46Å; K109-S113 PolarHBondContact O-N 2.84Å; K109-S113 PolarHBondContact O-OG 3Å; L110-S113 PolarHBondContact O-N 2.91Å; S113-K116 PolarHBondContact O-N 2.83Å; S113-S117 WeakPolarHBondContact O-CB 3.48Å; S113-S117 PolarHBondContact O-N 3.37Å
114V96.9Very high92.8Very high9 Ų948 Ų486%0.05523%0.228CC..Hα-helixtrans-61.9-51.3173.5165.30000110.4I71 T72 A75 V88 V91 L110 K116 S117 V118I71-V114 HydrophobicContact CG2-CG2 4.16Å; T72-V114 HydrophobicContact CG2-CG2 4.1Å; A75-V114 HydrophobicContact CB-CB 4.33Å; A75-V114 HydrophobicContact CB-CG1 3.56Å; A75-V114 HydrophobicContact CB-CG2 3.92Å; V88-V114 HydrophobicContact CG1-CG1 4.32Å; V91-V114 HydrophobicContact CG1-CG2 4.11Å; L110-V114 VanDerWaalsContact O-CB 3.25Å; L110-V114 WeakPolarHBondContact O-CB 3.4Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 2.89Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.87Å; V114-S117 PolarHBondContact O-N 3.03Å; V114-V118 HydrophobicContact CG1-CG2 4.31Å; V114-V118 WeakPolarHBondContact O-CB 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.45Å; V114-V118 PolarHBondContact O-N 2.62Å
115E95.3Very high92.9Very high22 Ų2255.7 Ų55.710%0.10326%0.261CS..Hα-helixtrans-62.9-39.9-180-175.971.5-147.400111.5I111 S117 S119 R122 R134 V153I111-E115 WeakPolarHBondContact O-CB 3.14Å; I111-E115 PolarHBondContact O-N 3.11Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 3.17Å; E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 PolarHBondContact O-OG 3.4Å; E115-S119 PolarHBondContact OE1-OG 2.76Å; E115-R122 IonicContact OE1-CZ 3.67Å; E115-R122 IonicContact OE1-NH1 2.73Å; E115-R122 PolarHBondContact OE1-NH1 3.29Å; E115-R122 IonicContact OE1-NH2 3.72Å; E115-R122 PolarHBondContact OE1-NH2 2.9Å; E115-R134 IonicContact OE1-NH2 3.29Å; E115-R134 IonicContact OE2-CZ 3.91Å; E115-R134 IonicContact OE2-NE 2.73Å; E115-R134 PolarHBondContact OE2-NE 3.1Å; E115-R134 IonicContact OE2-NH2 2.95Å; E115-R134 PolarHBondContact OE2-NH2 3.27Å; E115-R134 VanDerWaalsContact OE2-NH2 3.17Å; E115-V153 HydrophobicContact CB-CB 4.12Å; E115-V153 HydrophobicContact CB-CG1 4.12Å; E115-V153 HydrophobicContact CB-CG2 4.37Å; E115-V153 HydrophobicContact CG-CB 3.81Å; E115-V153 HydrophobicContact CG-CG1 4.25Å; E115-V153 HydrophobicContact CG-CG2 3.56Å
116K94.9Very high92.7Very high168 Ų16853.2 Ų53.273%0.7325%0.251SS*.Hα-helixtrans-60.2-44.6175.9-177.5-178.2179-174.50111.6F112 S113 V114 K120F112-K116 WeakPolarHBondContact O-CB 3Å; F112-K116 PolarHBondContact O-N 2.98Å; S113-K116 PolarHBondContact O-N 2.83Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 2.87Å; K116-K120 PolarHBondContact O-N 2.96Å
117S94.1Very high92.3Very high37 Ų3754.7 Ų54.726%0.25926%0.263SS..Hα-helixtrans-66.9-49.3-180-164.30000111.6S76 S113 V114 E115 S119 K120S76-S117 PolarHBondContact OG-OG 3.16Å; S113-S117 WeakPolarHBondContact O-CB 3.48Å; S113-S117 PolarHBondContact O-N 3.37Å; V114-S117 PolarHBondContact O-N 3.03Å; E115-S117 VanDerWaalsContact C-N 3.35Å; E115-S117 PolarHBondContact O-N 3.17Å; S117-S119 PolarHBondContact O-N 2.86Å; S117-K120 PolarHBondContact O-N 3.06Å
118V93Very high91.6Very high6 Ų663.9 Ų63.94%0.03631%0.306CS..Hα-helixtrans-63-41.6179173.50000111.4S79 V114 K120S79-V118 WeakPolarHBondContact OG-CG1 3.31Å; V114-V118 HydrophobicContact CG1-CG2 4.31Å; V114-V118 WeakPolarHBondContact O-CB 3.23Å; V114-V118 WeakPolarHBondContact O-CG2 3.45Å; V114-V118 PolarHBondContact O-N 2.62Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.82Å
119S91.6Very high91.1Very high44 Ų4468.1 Ų68.131%0.30833%0.329SS..Hα-helixtrans-69-27.2-178.6-69.20000114.1E115 S117 R121 R122E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 PolarHBondContact O-OG 3.4Å; E115-S119 PolarHBondContact OE1-OG 2.76Å; S117-S119 PolarHBondContact O-N 2.86Å; S119-R121 PolarHBondContact O-N 2.97Å; S119-R121 VanDerWaalsContact O-N 3.15Å; S119-R122 PolarHBondContact O-N 3.38Å; S119-R122 PolarHBondContact OG-NH1 3.34Å
120K89.6Confident90.7Very high172 Ų17263.7 Ų63.775%0.74831%0.31SS*.THydrogen-bonded Turntrans-60.6-24.8-179.5-174-177.9173.8-168.10113.3K116 S117 V118K116-K120 PolarHBondContact O-N 2.96Å; S117-K120 PolarHBondContact O-N 3.06Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.82Å
121R84.6Confident90.4Very high43 Ų4365 Ų6516%0.16232%0.318CS..THydrogen-bonded Turntrans-97.4-13-177.7-68.8-178.8-68173.825.5113.9S76 R80 S119 L123 E316S76-R121 VanDerWaalsContact CB-CZ 3.48Å; S76-R121 PolarHBondContact O-NH2 3.42Å; R80-R121 VanDerWaalsContact CZ-NH1 3.31Å; S119-R121 PolarHBondContact O-N 2.97Å; S119-R121 VanDerWaalsContact O-N 3.15Å; R121-L123 PolarHBondContact O-N 2.74Å; R121-E316 VanDerWaalsContact CD-OE2 3.24Å; R121-E316 WeakPolarHBondContact CD-OE2 2.91Å
122R90.9Very high90.3Very high44 Ų4465.4 Ų65.417%0.16632%0.321CS..  trans-68.3131.5178.6-65.5178-178.31542.4110.3E115 S119 W124E115-R122 IonicContact OE1-CZ 3.67Å; E115-R122 IonicContact OE1-NH1 2.73Å; E115-R122 PolarHBondContact OE1-NH1 3.29Å; E115-R122 IonicContact OE1-NH2 3.72Å; E115-R122 PolarHBondContact OE1-NH2 2.9Å; S119-R122 PolarHBondContact O-N 3.38Å; S119-R122 PolarHBondContact OG-NH1 3.34Å; R122-W124 VanDerWaalsContact C-N 3.33Å; R122-W124 HydrophobicContact CB-CD2 4.44Å; R122-W124 HydrophobicContact CG-CZ2 4.02Å
123L93.9Very high90.2Very high11 Ų1164.3 Ų64.36%0.05832%0.318CS..SBendtrans-96.412.2171.8-55-176.2000113R121 K204 L207 S211 I308 S312R121-L123 PolarHBondContact O-N 2.74Å; L123-K204 HydrophobicContact CD2-CG 4.34Å; L123-L207 HydrophobicContact CD1-CB 3.49Å; L123-L207 VanDerWaalsContact CD1-CB 3.49Å; L123-L207 HydrophobicContact CD1-CD1 4.31Å; L123-S211 WeakPolarHBondContact O-CB 3.4Å; L123-S211 PolarHBondContact O-OG 3.02Å; L123-I308 HydrophobicContact CB-CG2 3.73Å; L123-S312 WeakPolarHBondContact CD1-OG 3.42Å
124W93.2Very high90.2Very high28 Ų2864 Ų6411%0.10631%0.313CS..SBendtrans-131.7159.417853.9-92.8000108.9R122 P126 E215 R305 I308 N309R122-W124 VanDerWaalsContact C-N 3.33Å; R122-W124 HydrophobicContact CB-CD2 4.44Å; R122-W124 HydrophobicContact CG-CZ2 4.02Å; W124-P126 HydrophobicContact CZ3-CB 4.5Å; W124-E215 VanDerWaalsContact CB-OE1 3.31Å; W124-E215 WeakPolarHBondContact CB-OE1 3.24Å; W124-R305 HydrophobicContact CD2-CG 3.83Å; W124-R305 HydrophobicContact CE3-CG 4.24Å; W124-R305 HydrophobicContact CG-CG 4.15Å; W124-R305 HydrophobicContact CZ2-CB 4.48Å; W124-R305 HydrophobicContact CZ2-CG 4.12Å; W124-I308 HydrophobicContact CB-CD1 4.26Å; W124-N309 PolarHBondContact NE1-OD1 2.99Å
125K87.4Confident90.2Very high176 Ų17663.6 Ų63.677%0.76531%0.31SS*.  trans-110.8141.8177.8-67.5-179.7-179.3-178.10110.7
126P85.1Confident90.3Very high57 Ų5762.6 Ų62.637%0.3731%0.305SS..  trans-63.6138.4167.627.8-31.9000109.1W124 E130W124-P126 HydrophobicContact CZ3-CB 4.5Å; P126-E130 WeakPolarHBondContact CA-OE1 3.31Å
127A83.1Confident90.4Very high46 Ų4654.6 Ų54.638%0.3827%0.271SS..  trans-68.6155.5170.400000110.2E129 E130A127-E129 PolarHBondContact O-N 2.88Å; A127-E130 HydrophobicContact CB-CG 4.36Å; A127-E130 WeakPolarHBondContact CB-OE1 3.48Å; A127-E130 PolarHBondContact N-OE1 3.43Å; A127-E130 WeakPolarHBondContact O-CB 3.28Å; A127-E130 PolarHBondContact O-N 2.96Å; A127-E130 VanDerWaalsContact O-N 3.07Å
128E79.2Confident90.5Very high192 Ų19253.7 Ų53.790%0.89726%0.263SS*.THydrogen-bonded Turntrans-61.6-27.6-179.7-64.5-177175.400112.9E130E128-E130 VanDerWaalsContact C-N 3.28Å; E128-E130 PolarHBondContact O-N 3.48Å
129E82.1Confident90.5Very high160 Ų16053.6 Ų53.675%0.74826%0.262SS*.THydrogen-bonded Turntrans-77.6-10.1178.5-60.3-178.5-175.700113.7A127 K297A127-E129 PolarHBondContact O-N 2.88Å; E129-K297 IonicContact OE2-NZ 2.67Å; E129-K297 PolarHBondContact OE2-NZ 2.93Å
130E85.9Confident90.6Very high44 Ų4452.3 Ų52.321%0.20625%0.253CS..SBendtrans-78.7148.8-175.3-80.3173.9-114.400113.7P126 A127 E128 S132 Q301 R305P126-E130 WeakPolarHBondContact CA-OE1 3.31Å; A127-E130 HydrophobicContact CB-CG 4.36Å; A127-E130 WeakPolarHBondContact CB-OE1 3.48Å; A127-E130 PolarHBondContact N-OE1 3.43Å; A127-E130 WeakPolarHBondContact O-CB 3.28Å; A127-E130 PolarHBondContact O-N 2.96Å; A127-E130 VanDerWaalsContact O-N 3.07Å; E128-E130 VanDerWaalsContact C-N 3.28Å; E128-E130 PolarHBondContact O-N 3.48Å; E130-S132 PolarHBondContact O-N 3.22Å; E130-S132 VanDerWaalsContact O-N 3.12Å; E130-Q301 PolarHBondContact OE1-NE2 2.66Å; E130-R305 IonicContact OE1-CZ 2.83Å; E130-R305 IonicContact OE1-NH1 3.87Å; E130-R305 IonicContact OE1-NH2 2.85Å; E130-R305 PolarHBondContact OE1-NH2 2.7Å; E130-R305 IonicContact OE2-CZ 3.99Å; E130-R305 IonicContact OE2-NH1 3.93Å; E130-R305 PolarHBondContact OE2-NH1 2.94Å; E130-R305 IonicContact OE2-NH2 3.88Å; E130-R305 PolarHBondContact OE2-NH2 2.86Å
131V89.9Confident90.6Very high31 Ų3145 Ų4519%0.18822%0.223CC..  trans-68.8111.4176.8176.40000110.7R3 C34 D133 R134R3-V131 VanDerWaalsContact NH1-CG1 3.28Å; C34-V131 HydrophobicContact CB-CB 4.23Å; V131-D133 HydrophobicContact CG1-CB 4.06Å; V131-R134 PolarHBondContact O-NH1 3.38Å
132S93.1Very high90.8Very high14 Ų1446.4 Ų46.410%0.09824%0.244CC..  trans-89.4-13.3171.757.40000113.6E130 R134 D152 V153E130-S132 PolarHBondContact O-N 3.22Å; E130-S132 VanDerWaalsContact O-N 3.12Å; S132-R134 PolarHBondContact O-N 2.94Å; S132-D152 WeakPolarHBondContact CB-OD1 3.43Å; S132-D152 PolarHBondContact OG-OD1 3.3Å; S132-V153 WeakPolarHBondContact O-CG2 3.39Å; S132-V153 PolarHBondContact O-N 3.29Å
133D94.8Very high90.8Very high22 Ų2248.9 Ų48.912%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-61.2135.5177.6-75.5-84.2000111.6R3 V131 T150 Y151 K161R3-D133 HydrophobicContact CG-CB 4.46Å; V131-D133 HydrophobicContact CG1-CB 4.06Å; D133-T150 PolarHBondContact OD1-OG1 2.85Å; D133-Y151 CarbonylContact C-O 3.39Å; D133-Y151 WeakPolarHBondContact CA-O 3.38Å; D133-K161 IonicContact OD1-NZ 3.47Å
134R96.3Very high90.6Very high19 Ų1952.5 Ų52.57%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-124144171.8-62.1-64.2177.2-97.8-3.7111.3L89 I111 E115 V131 S132 T150 Y151 V153L89-R134 CarbonylContact O-C 3.56Å; L89-R134 VanDerWaalsContact O-CA 3.3Å; L89-R134 WeakPolarHBondContact O-CA 3.34Å; L89-R134 WeakPolarHBondContact O-CD 3.2Å; I111-R134 HydrophobicContact CG2-CB 3.81Å; I111-R134 HydrophobicContact CG2-CG 4.43Å; E115-R134 IonicContact OE1-NH2 3.29Å; E115-R134 IonicContact OE2-CZ 3.91Å; E115-R134 IonicContact OE2-NE 2.73Å; E115-R134 PolarHBondContact OE2-NE 3.1Å; E115-R134 IonicContact OE2-NH2 2.95Å; E115-R134 PolarHBondContact OE2-NH2 3.27Å; E115-R134 VanDerWaalsContact OE2-NH2 3.17Å; V131-R134 PolarHBondContact O-NH1 3.38Å; S132-R134 PolarHBondContact O-N 2.94Å; R134-T150 VanDerWaalsContact O-CA 3.22Å; R134-T150 WeakPolarHBondContact O-CA 3.37Å; R134-Y151 PolarHBondContact N-O 2.85Å; R134-Y151 PolarHBondContact O-N 2.75Å; R134-Y151 VanDerWaalsContact O-N 3.1Å; R134-V153 HydrophobicContact CB-CG1 3.96Å; R134-V153 HydrophobicContact CG-CG1 3.44Å; R134-V153 VanDerWaalsContact CG-CG1 3.44Å
135A97Very high90.6Very high0 Ų058 Ų580%030%0.304CS..EExtended strand (participates in β ladder)trans-79.8132.1-177.400000112.6Y5 L30 L89 G90 V91 I111 R149Y5-A135 HydrophobicContact CE1-CB 3.86Å; Y5-A135 HydrophobicContact CE2-CB 4.14Å; L30-A135 HydrophobicContact CD1-CB 4.07Å; L89-A135 PolarHBondContact O-N 3.35Å; G90-A135 CarbonylContact C-O 3.52Å; G90-A135 WeakPolarHBondContact CA-O 3.35Å; V91-A135 PolarHBondContact N-O 2.75Å; I111-A135 WeakPolarHBondContact CD1-O 3.16Å; A135-R149 CarbonylContact C-O 3.42Å; A135-R149 WeakPolarHBondContact CA-O 3.39Å
136A97.1Very high90.9Very high0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-106.5103.4161.900000107.9L107 I111 R149 Y151L107-A136 HydrophobicContact CB-CB 3.88Å; L107-A136 HydrophobicContact CD1-CB 4.25Å; L107-A136 HydrophobicContact CD2-CB 4.33Å; L107-A136 HydrophobicContact CG-CB 4.39Å; I111-A136 HydrophobicContact CD1-CB 3.53Å; A136-R149 HydrophobicContact CB-CB 4.49Å; A136-R149 PolarHBondContact N-O 2.79Å; A136-R149 PolarHBondContact O-N 3.4Å; A136-Y151 HydrophobicContact CB-CD2 4.16Å; A136-Y151 HydrophobicContact CB-CE2 3.65Å
137L97.2Very high91.4Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-100.2118.7-180-168.474.5000110.4L15 L30 V91 F92 V93 V139 I146 C148 W165L15-L137 HydrophobicContact CD1-CD2 3.77Å; L30-L137 HydrophobicContact CD1-CB 3.97Å; L30-L137 HydrophobicContact CD1-CD2 4.23Å; L30-L137 HydrophobicContact CD2-CD2 4.24Å; V91-L137 PolarHBondContact O-N 3.47Å; F92-L137 CarbonylContact C-O 3.55Å; F92-L137 WeakPolarHBondContact CA-O 3.19Å; F92-L137 HydrophobicContact CB-CB 3.79Å; F92-L137 HydrophobicContact CB-CD2 4Å; F92-L137 HydrophobicContact CB-CG 4.34Å; V93-L137 PolarHBondContact N-O 2.67Å; L137-V139 HydrophobicContact CD2-CG2 4.24Å; L137-V139 HydrophobicContact CG-CG2 4.31Å; L137-I146 HydrophobicContact CD1-CG2 3.36Å; L137-I146 HydrophobicContact CG-CG2 4.22Å; L137-C148 HydrophobicContact CD1-CB 3.84Å; L137-W165 HydrophobicContact CD1-CD2 3.74Å; L137-W165 HydrophobicContact CD1-CE3 3.59Å; L137-W165 HydrophobicContact CD1-CG 4.43Å; L137-W165 HydrophobicContact CD1-CH2 4.03Å; L137-W165 HydrophobicContact CD1-CZ2 4.13Å; L137-W165 HydrophobicContact CD1-CZ3 3.76Å; L137-W165 HydrophobicContact CD2-CH2 3.58Å; L137-W165 HydrophobicContact CD2-CZ2 3.62Å; L137-W165 HydrophobicContact CD2-CZ3 4.13Å; L137-W165 HydrophobicContact CG-CH2 4.39Å; L137-W165 HydrophobicContact CG-CZ3 4.47Å
138Q95.1Very high92Very high19 Ų1949.9 Ų49.99%0.08926%0.261CS..EExtended strand (participates in β ladder)trans-106.4129.9169.9-171.6-166.1-9.600109.8V93 A100 S103 Q104 L107 I146 V147V93-Q138 WeakPolarHBondContact O-CA 3.42Å; A100-Q138 VanDerWaalsContact CB-NE2 3.27Å; A100-Q138 PolarHBondContact O-NE2 2.92Å; S103-Q138 PolarHBondContact OG-NE2 3.43Å; S103-Q138 VanDerWaalsContact OG-NE2 3.15Å; Q104-Q138 VanDerWaalsContact CG-OE1 3.25Å; Q104-Q138 VanDerWaalsContact NE2-CB 3.28Å; L107-Q138 HydrophobicContact CD1-CB 3.95Å; Q138-I146 WeakPolarHBondContact O-CA 3.18Å; Q138-V147 HydrophobicContact CB-CB 4.44Å; Q138-V147 PolarHBondContact N-O 3.12Å; Q138-V147 PolarHBondContact O-N 3.39Å
139V94.6Very high92.8Very high4 Ų445.1 Ų45.12%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-117.5127174.1-170.40000109V93 I94 A95 L137 S141 I146V93-V139 PolarHBondContact O-N 3Å; I94-V139 WeakPolarHBondContact CA-O 3.04Å; I94-V139 HydrophobicContact CB-CB 4.45Å; I94-V139 HydrophobicContact CG1-CB 4.06Å; I94-V139 HydrophobicContact CG1-CG2 4.37Å; I94-V139 HydrophobicContact CG2-CB 4.33Å; A95-V139 PolarHBondContact N-O 2.96Å; L137-V139 HydrophobicContact CD2-CG2 4.24Å; L137-V139 HydrophobicContact CG-CG2 4.31Å; V139-S141 PolarHBondContact O-N 3.07Å; V139-I146 HydrophobicContact CG1-CG1 4.36Å; V139-I146 HydrophobicContact CG2-CG1 4.28Å
140C92.1Very high93.5Very high17 Ų1737.6 Ų37.612%0.11520%0.2CC..EExtended strand (participates in β ladder)trans-75.5122.3172.2179.50000109.8A142 T143 K144 K145C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 2.85Å; C140-T143 VanDerWaalsContact CB-OG1 3.31Å; C140-T143 WeakPolarHBondContact CB-OG1 3.32Å; C140-T143 PolarHBondContact SG-N 3.16Å; C140-T143 VanDerWaalsContact SG-N 3.42Å; C140-T143 PolarHBondContact SG-OG1 3.39Å; C140-K144 WeakPolarHBondContact O-CA 3.09Å; C140-K144 PolarHBondContact O-N 3.41Å; C140-K145 HydrophobicContact CB-CB 4.32Å; C140-K145 PolarHBondContact N-O 3.46Å
141S90.5Very high94Very high17 Ų1736 Ų3612%0.11919%0.192CC..THydrogen-bonded Turntrans-64.2-34.1-179.163.40000113.1T20 A95 T96 V139 K144T20-S141 WeakPolarHBondContact OG1-CB 3.33Å; A95-S141 PolarHBondContact O-N 3.44Å; A95-S141 PolarHBondContact O-OG 3.24Å; T96-S141 WeakPolarHBondContact CA-OG 3.28Å; V139-S141 PolarHBondContact O-N 3.07Å; S141-K144 WeakPolarHBondContact O-CE 3.42Å
142A89Confident94.2Very high73 Ų7336.1 Ų36.160%0.60319%0.192SC*.THydrogen-bonded Turntrans-81-48.3-177.600000113.2P97 C140P97-A142 HydrophobicContact CG-CB 4.01Å; C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 2.85Å
143T90.6Very high94.3Very high96 Ų9636.6 Ų36.659%0.58919%0.194SC*.THydrogen-bonded Turntrans-97.9-8.1-174.365.20000113.7C140 K145C140-T143 VanDerWaalsContact CB-OG1 3.31Å; C140-T143 WeakPolarHBondContact CB-OG1 3.32Å; C140-T143 PolarHBondContact SG-N 3.16Å; C140-T143 VanDerWaalsContact SG-N 3.42Å; C140-T143 PolarHBondContact SG-OG1 3.39Å; T143-K145 PolarHBondContact O-N 2.87Å; T143-K145 WeakPolarHBondContact OG1-CB 3.26Å; T143-K145 PolarHBondContact OG1-N 3.28Å
144K90.3Very high94.1Very high88 Ų8840.6 Ų40.638%0.38321%0.212SC..  trans56.814.4-171.8-52-62.8178.8170.10113.9S16 C140 S141 I146S16-K144 PolarHBondContact O-NZ 3.25Å; C140-K144 WeakPolarHBondContact O-CA 3.09Å; C140-K144 PolarHBondContact O-N 3.41Å; S141-K144 WeakPolarHBondContact O-CE 3.42Å; K144-I146 PolarHBondContact O-N 2.79Å
145K92.3Very high94Very high144 Ų14442.9 Ų42.963%0.62623%0.226SC*.  trans-66.1132.4175.9-175.8177.5-179.6177.60110.2C140 T143C140-K145 HydrophobicContact CB-CB 4.32Å; C140-K145 PolarHBondContact N-O 3.46Å; T143-K145 PolarHBondContact O-N 2.87Å; T143-K145 WeakPolarHBondContact OG1-CB 3.26Å; T143-K145 PolarHBondContact OG1-N 3.28Å
146I94.1Very high93.6Very high47 Ų4747.6 Ų47.624%0.24126%0.256CS..EExtended strand (participates in β ladder)trans-102.8136.9178.7-62.6-177.7000110.2L137 Q138 V139 K144 W165 Y167L137-I146 HydrophobicContact CD1-CG2 3.36Å; L137-I146 HydrophobicContact CG-CG2 4.22Å; Q138-I146 WeakPolarHBondContact O-CA 3.18Å; V139-I146 HydrophobicContact CG1-CG1 4.36Å; V139-I146 HydrophobicContact CG2-CG1 4.28Å; K144-I146 PolarHBondContact O-N 2.79Å; I146-W165 HydrophobicContact CG2-CB 4.43Å; I146-W165 HydrophobicContact CG2-CD2 4.46Å; I146-W165 HydrophobicContact CG2-CG 4.06Å; I146-Y167 HydrophobicContact CD1-CE2 4.39Å; I146-Y167 WeakPolarHBondContact CD1-OH 3.33Å
147V95.2Very high93.3Very high50 Ų5056.4 Ų56.430%0.30330%0.295SS..EExtended strand (participates in β ladder)trans-128.1112.7170.4179.90000107.9Q138Q138-V147 HydrophobicContact CB-CB 4.44Å; Q138-V147 PolarHBondContact N-O 3.12Å; Q138-V147 PolarHBondContact O-N 3.39Å
148C96.4Very high93.1Very high10 Ų1056.6 Ų56.67%0.06830%0.296CS..EExtended strand (participates in β ladder)trans-105.6129177.5-169.80000110.4L137 A163 W165L137-C148 HydrophobicContact CD1-CB 3.84Å; C148-A163 PolarHBondContact O-N 3.09Å; C148-A163 VanDerWaalsContact O-N 3.1Å; C148-W165 HydrophobicContact CB-CB 4.17Å; C148-W165 HydrophobicContact CB-CE3 4.28Å
149R95.9Very high92.9Very high93 Ų9359.7 Ų59.735%0.35132%0.32SS..EExtended strand (participates in β ladder)trans-128.8158.1172.5-67.7176.6175.4166.4-8.1109.8Q104 A135 A136 A160 K161Q104-R149 VanDerWaalsContact CD-NH1 3.33Å; A135-R149 CarbonylContact C-O 3.42Å; A135-R149 WeakPolarHBondContact CA-O 3.39Å; A136-R149 HydrophobicContact CB-CB 4.49Å; A136-R149 PolarHBondContact N-O 2.79Å; A136-R149 PolarHBondContact O-N 3.4Å; R149-A160 HydrophobicContact CB-CB 4.36Å; R149-K161 CarbonylContact C-O 3.57Å; R149-K161 WeakPolarHBondContact CA-O 3.28Å
150T96.3Very high92.9Very high1 Ų161.4 Ų61.41%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-121.4153.617267.10000112.2R3 Y5 D133 R134 K161 A163R3-T150 HydrophobicContact CB-CG2 4.37Å; Y5-T150 HydrophobicContact CE2-CG2 3.57Å; Y5-T150 WeakPolarHBondContact OH-CG2 3.48Å; D133-T150 PolarHBondContact OD1-OG1 2.85Å; R134-T150 VanDerWaalsContact O-CA 3.22Å; R134-T150 WeakPolarHBondContact O-CA 3.37Å; T150-K161 PolarHBondContact N-O 2.77Å; T150-K161 PolarHBondContact O-N 2.73Å; T150-A163 HydrophobicContact CG2-CB 3.78Å
151Y95.8Very high93Very high10 Ų1064.5 Ų64.54%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-129.5133.7171.3-60-89000108.6R108 I111 D133 R134 A136 V153 A160R108-Y151 HydrophobicContact CB-CE1 4.2Å; R108-Y151 HydrophobicContact CB-CE2 4.35Å; R108-Y151 HydrophobicContact CG-CD1 4.17Å; R108-Y151 HydrophobicContact CG-CE1 3.83Å; R108-Y151 VanDerWaalsContact NH1-CD1 3.28Å; I111-Y151 HydrophobicContact CD1-CD2 3.5Å; I111-Y151 VanDerWaalsContact CD1-CD2 3.5Å; I111-Y151 HydrophobicContact CD1-CE2 4.06Å; I111-Y151 HydrophobicContact CD1-CG 4.49Å; D133-Y151 CarbonylContact C-O 3.39Å; D133-Y151 WeakPolarHBondContact CA-O 3.38Å; R134-Y151 PolarHBondContact N-O 2.85Å; R134-Y151 PolarHBondContact O-N 2.75Å; R134-Y151 VanDerWaalsContact O-N 3.1Å; A136-Y151 HydrophobicContact CB-CD2 4.16Å; A136-Y151 HydrophobicContact CB-CE2 3.65Å; Y151-V153 PolarHBondContact O-N 3.02Å; Y151-A160 HydrophobicContact CD1-CB 4.35Å; Y151-A160 HydrophobicContact CE1-CB 3.45Å; Y151-A160 VanDerWaalsContact CE1-CB 3.45Å; Y151-A160 HydrophobicContact CE2-CB 4.43Å; Y151-A160 WeakPolarHBondContact OH-CB 3.32Å
152D95.1Very high93.3Very high35 Ų3568.5 Ų68.519%0.18737%0.371CS..EExtended strand (participates in β ladder)trans-73.5111.3168.7-178.8-11.2000108.3S132 Q154 D155 S158S132-D152 WeakPolarHBondContact CB-OD1 3.43Å; S132-D152 PolarHBondContact OG-OD1 3.3Å; D152-Q154 PolarHBondContact O-N 2.86Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.3Å; D152-Q154 PolarHBondContact OD1-N 3.41Å; D152-D155 HydrophobicContact CB-CB 4.48Å; D152-D155 PolarHBondContact O-N 2.97Å; D152-S158 PolarHBondContact N-OG 3.12Å; D152-S158 WeakPolarHBondContact O-CB 3.45Å
153V94.3Very high93.6Very high23 Ų2365.6 Ų65.614%0.13935%0.347CS..THydrogen-bonded Turntrans-75.6-12.8-176.6-58.70000113.6I111 E115 S132 R134 Y151I111-V153 HydrophobicContact CG2-CG1 3.58Å; E115-V153 HydrophobicContact CB-CB 4.12Å; E115-V153 HydrophobicContact CB-CG1 4.12Å; E115-V153 HydrophobicContact CB-CG2 4.37Å; E115-V153 HydrophobicContact CG-CB 3.81Å; E115-V153 HydrophobicContact CG-CG1 4.25Å; E115-V153 HydrophobicContact CG-CG2 3.56Å; S132-V153 WeakPolarHBondContact O-CG2 3.39Å; S132-V153 PolarHBondContact O-N 3.29Å; R134-V153 HydrophobicContact CB-CG1 3.96Å; R134-V153 HydrophobicContact CG-CG1 3.44Å; R134-V153 VanDerWaalsContact CG-CG1 3.44Å; Y151-V153 PolarHBondContact O-N 3.02Å
154Q91.8Very high93.8Very high106 Ų10664.9 Ų64.950%0.49534%0.34SS..THydrogen-bonded Turntrans-81.4-20.2173.1-67.4-177.95.900111.9D152 P156D152-Q154 PolarHBondContact O-N 2.86Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.3Å; D152-Q154 PolarHBondContact OD1-N 3.41Å; Q154-P156 WeakPolarHBondContact O-CD 3.43Å
155D93Very high94.1Very high67 Ų6762.5 Ų62.536%0.35833%0.328SS..  trans-106.9103.2173.5177.614.5000111.2D152 K157 S158D152-D155 HydrophobicContact CB-CB 4.48Å; D152-D155 PolarHBondContact O-N 2.97Å; D155-K157 PolarHBondContact O-N 3.48Å; D155-K157 WeakPolarHBondContact OD1-CA 3.49Å; D155-K157 WeakPolarHBondContact OD1-CB 3.48Å; D155-K157 PolarHBondContact OD1-N 2.83Å; D155-S158 VanDerWaalsContact CG-N 3.32Å; D155-S158 WeakPolarHBondContact O-CB 3.48Å; D155-S158 PolarHBondContact O-N 2.83Å; D155-S158 WeakPolarHBondContact OD2-CA 3.22Å; D155-S158 PolarHBondContact OD2-N 2.82Å
156P88.7Confident94.2Very high100 Ų10060.2 Ų60.265%0.64932%0.318SS*.THydrogen-bonded Turntrans-56.5-23.8175.8-24.834.2000114R108 Q154R108-P156 PolarHBondContact NH2-O 3.18Å; R108-P156 VanDerWaalsContact NH2-O 3.08Å; Q154-P156 WeakPolarHBondContact O-CD 3.43Å
157K91.3Very high94.2Very high185 Ų18562.6 Ų62.680%0.80433%0.325SS*.THydrogen-bonded Turntrans-92.80.4178.2-59.6179.8-177.8175.40112.8D155 S159D155-K157 PolarHBondContact O-N 3.48Å; D155-K157 WeakPolarHBondContact OD1-CA 3.49Å; D155-K157 WeakPolarHBondContact OD1-CB 3.48Å; D155-K157 PolarHBondContact OD1-N 2.83Å; K157-S159 PolarHBondContact O-N 2.76Å
158S92.9Very high93.8Very high4 Ų464.3 Ų64.33%0.02833%0.33CS..PPolyproline II helixtrans-48.8127.5-177.6175.70000110.5R108 D152 D155R108-S158 PolarHBondContact NH1-O 2.88Å; R108-S158 PolarHBondContact NH2-O 2.95Å; D152-S158 PolarHBondContact N-OG 3.12Å; D152-S158 WeakPolarHBondContact O-CB 3.45Å; D155-S158 VanDerWaalsContact CG-N 3.32Å; D155-S158 WeakPolarHBondContact O-CB 3.48Å; D155-S158 PolarHBondContact O-N 2.83Å; D155-S158 WeakPolarHBondContact OD2-CA 3.22Å; D155-S158 PolarHBondContact OD2-N 2.82Å
159S91.6Very high93.1Very high84 Ų8467.3 Ų67.359%0.58735%0.351SS*.PPolyproline II helixtrans-78.5164.3170.661.90000110.7K157 K161K157-S159 PolarHBondContact O-N 2.76Å; S159-K161 PolarHBondContact O-N 2.9Å
160A93.6Very high92.1Very high40 Ų4065.5 Ų65.533%0.33136%0.356SS..PPolyproline II helixtrans-76.4122.7178.300000110.1R149 Y151R149-A160 HydrophobicContact CB-CB 4.36Å; Y151-A160 HydrophobicContact CD1-CB 4.35Å; Y151-A160 HydrophobicContact CE1-CB 3.45Å; Y151-A160 VanDerWaalsContact CE1-CB 3.45Å; Y151-A160 HydrophobicContact CE2-CB 4.43Å; Y151-A160 WeakPolarHBondContact OH-CB 3.32Å
161K95.1Very high91.2Very high82 Ų8265.6 Ų65.636%0.35736%0.357SS..EExtended strand (participates in β ladder)trans-101131.2175.8-59.9169.8-167.4161.70108.9D133 R149 T150 S159D133-K161 IonicContact OD1-NZ 3.47Å; R149-K161 CarbonylContact C-O 3.57Å; R149-K161 WeakPolarHBondContact CA-O 3.28Å; T150-K161 PolarHBondContact N-O 2.77Å; T150-K161 PolarHBondContact O-N 2.73Å; S159-K161 PolarHBondContact O-N 2.9Å
162P95.2Very high90Very high100 Ų10065.5 Ų65.565%0.64936%0.357SS*.EExtended strand (participates in β ladder)trans-62.7143.8173.227.3-33.2000109.7G2G2-P162 WeakPolarHBondContact CA-O 3.44Å
163A95.5Very high88.9Confident12 Ų1266.9 Ų66.910%0.09937%0.374CS..  trans-131.7146.1175.500000110.9R3 Y5 C148 T150R3-A163 HydrophobicContact CB-CB 4.33Å; R3-A163 CarbonylContact O-C 3.51Å; R3-A163 VanDerWaalsContact O-CA 3.25Å; R3-A163 WeakPolarHBondContact O-CA 3.29Å; R3-A163 WeakPolarHBondContact O-CB 3.4Å; Y5-A163 HydrophobicContact CD2-CB 4.06Å; Y5-A163 HydrophobicContact CE2-CB 3.93Å; C148-A163 PolarHBondContact O-N 3.09Å; C148-A163 VanDerWaalsContact O-N 3.1Å; T150-A163 HydrophobicContact CG2-CB 3.78Å
164D95.5Very high88.4Confident81 Ų8168.1 Ų68.143%0.43338%0.383SS..EExtended strand (participates in β ladder)trans-75.8132.2176.7-76.7-6000109.7R3 T4 Y5 K166R3-D164 PolarHBondContact O-N 3.31Å; T4-D164 HydrophobicContact CG2-CB 4.05Å; Y5-D164 PolarHBondContact N-O 3.07Å; D164-K166 WeakPolarHBondContact OD2-CE 3.4Å; D164-K166 IonicContact OD2-NZ 2.73Å; D164-K166 PolarHBondContact OD2-NZ 3.44Å
165W95.6Very high88.3Confident38 Ų3863.5 Ų63.514%0.14436%0.361CS..EExtended strand (participates in β ladder)trans-115.3108.2174.8-173.5-91.1000108.6Y5 V7 L15 L30 V41 L137 I146 C148 Y167Y5-W165 HydrophobicContact CG-CE3 4.31Å; Y5-W165 HydrophobicContact CG-CZ3 4.36Å; V7-W165 HydrophobicContact CB-CZ2 4.18Å; V7-W165 HydrophobicContact CG1-CH2 4.22Å; V7-W165 HydrophobicContact CG1-CZ2 3.62Å; V7-W165 HydrophobicContact CG2-CD2 3.72Å; V7-W165 HydrophobicContact CG2-CE3 3.91Å; V7-W165 HydrophobicContact CG2-CG 4.39Å; V7-W165 HydrophobicContact CG2-CH2 3.79Å; V7-W165 HydrophobicContact CG2-CZ2 3.62Å; V7-W165 HydrophobicContact CG2-CZ3 3.94Å; L15-W165 HydrophobicContact CD1-CZ2 4.29Å; L30-W165 HydrophobicContact CD1-CH2 3.93Å; L30-W165 HydrophobicContact CD1-CZ3 4.02Å; L30-W165 HydrophobicContact CD2-CH2 4.14Å; V41-W165 HydrophobicContact CG1-CH2 4.31Å; V41-W165 HydrophobicContact CG2-CH2 4.1Å; V41-W165 HydrophobicContact CG2-CZ3 4.09Å; L137-W165 HydrophobicContact CD1-CD2 3.74Å; L137-W165 HydrophobicContact CD1-CE3 3.59Å; L137-W165 HydrophobicContact CD1-CG 4.43Å; L137-W165 HydrophobicContact CD1-CH2 4.03Å; L137-W165 HydrophobicContact CD1-CZ2 4.13Å; L137-W165 HydrophobicContact CD1-CZ3 3.76Å; L137-W165 HydrophobicContact CD2-CH2 3.58Å; L137-W165 HydrophobicContact CD2-CZ2 3.62Å; L137-W165 HydrophobicContact CD2-CZ3 4.13Å; L137-W165 HydrophobicContact CG-CH2 4.39Å; L137-W165 HydrophobicContact CG-CZ3 4.47Å; I146-W165 HydrophobicContact CG2-CB 4.43Å; I146-W165 HydrophobicContact CG2-CD2 4.46Å; I146-W165 HydrophobicContact CG2-CG 4.06Å; C148-W165 HydrophobicContact CB-CB 4.17Å; C148-W165 HydrophobicContact CB-CE3 4.28Å; W165-Y167 AromaticContact CD1-CZ 3.92Å; W165-Y167 AromaticContact NE1-CE1 3.66Å; W165-Y167 AromaticContact NE1-CE2 3.95Å; W165-Y167 AromaticContact NE1-CZ 3.35Å; W165-Y167 VanDerWaalsContact NE1-CZ 3.35Å; W165-Y167 PolarHBondContact NE1-OH 3.46Å
166K95Very high88.1Confident96 Ų9660.7 Ų60.742%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-125.2118.8-171.2-68.2176.2-176.7150.70110.3T4 Y5 L6 V7 D164T4-K166 HydrophobicContact CG2-CD 3.96Å; Y5-K166 PolarHBondContact O-N 3.14Å; L6-K166 CarbonylContact C-O 3.46Å; L6-K166 WeakPolarHBondContact CA-O 3.13Å; L6-K166 HydrophobicContact CD2-CB 4.18Å; V7-K166 PolarHBondContact N-O 3.47Å; D164-K166 WeakPolarHBondContact OD2-CE 3.4Å; D164-K166 IonicContact OD2-NZ 2.73Å; D164-K166 PolarHBondContact OD2-NZ 3.44Å
167Y93.6Very high88.3Confident98 Ų9856.7 Ų56.738%0.38432%0.319SS..EExtended strand (participates in β ladder)trans-72.4138.5171.7-64.6-68.9000110.5V7 G12 I146 W165V7-Y167 HydrophobicContact CB-CD1 3.97Å; V7-Y167 HydrophobicContact CB-CE1 4.18Å; V7-Y167 HydrophobicContact CG1-CD1 3.97Å; V7-Y167 HydrophobicContact CG1-CE1 3.79Å; V7-Y167 CarbonylContact O-C 3.53Å; V7-Y167 VanDerWaalsContact O-CA 3.29Å; V7-Y167 WeakPolarHBondContact O-CA 3.48Å; G12-Y167 VanDerWaalsContact CA-CE1 3.4Å; G12-Y167 WeakPolarHBondContact CA-OH 3.49Å; I146-Y167 HydrophobicContact CD1-CE2 4.39Å; I146-Y167 WeakPolarHBondContact CD1-OH 3.33Å; W165-Y167 AromaticContact CD1-CZ 3.92Å; W165-Y167 AromaticContact NE1-CE1 3.66Å; W165-Y167 AromaticContact NE1-CE2 3.95Å; W165-Y167 AromaticContact NE1-CZ 3.35Å; W165-Y167 VanDerWaalsContact NE1-CZ 3.35Å; W165-Y167 PolarHBondContact NE1-OH 3.46Å
168Q88.5Confident88.4Confident85 Ų8548 Ų4840%0.39728%0.282SS..EExtended strand (participates in β ladder)trans-144.1130176.3-179.6173.4-0.800109.1V7 L171V7-Q168 PolarHBondContact O-N 3.46Å; Q168-L171 HydrophobicContact CB-CD1 4.05Å; Q168-L171 HydrophobicContact CB-CD2 4.22Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.07Å; Q168-L171 HydrophobicContact CG-CG 4.15Å
169S79.9Confident88.3Confident73 Ų7348.9 Ų48.951%0.5129%0.286SS..THydrogen-bonded Turntrans-67.6142.1174610000111.4L171S169-L171 PolarHBondContact O-N 2.86Å
170A76.6Confident88.4Confident56 Ų5645 Ų4546%0.46326%0.259SS..THydrogen-bonded Turntrans66.927.4169.400000115.6E8 S172 A173E8-A170 PolarHBondContact OE1-N 2.87Å; A170-S172 VanDerWaalsContact C-N 3.25Å; A170-A173 HydrophobicContact CB-CB 4.24Å; A170-A173 PolarHBondContact O-N 3.42Å
171L77.3Confident88.3Confident3 Ų347 Ų472%0.01627%0.268CS..G310 helixtrans-62.9-37.6167-69.8175.5000111L6 V7 E8 Y40 Q168 S169 A173 C174 W175L6-L171 VanDerWaalsContact C-CD1 3.42Å; L6-L171 HydrophobicContact CB-CD1 3.83Å; L6-L171 HydrophobicContact CB-CD2 4.22Å; V7-L171 VanDerWaalsContact C-CD1 3.44Å; E8-L171 WeakPolarHBondContact OE2-CA 3.4Å; E8-L171 WeakPolarHBondContact OE2-CB 3.39Å; E8-L171 PolarHBondContact OE2-N 2.88Å; Y40-L171 HydrophobicContact CD1-CD2 4.12Å; Q168-L171 HydrophobicContact CB-CD1 4.05Å; Q168-L171 HydrophobicContact CB-CD2 4.22Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.07Å; Q168-L171 HydrophobicContact CG-CG 4.15Å; S169-L171 PolarHBondContact O-N 2.86Å; L171-A173 PolarHBondContact O-N 3.07Å; L171-C174 PolarHBondContact O-N 3.41Å; L171-W175 PolarHBondContact O-NE1 2.97Å
172S71Confident88.1Confident7 Ų743.6 Ų43.65%0.04925%0.253CS..G310 helixtrans-65.2-18.1176.7-70.20000113.9E8 A170 G350 S351 S352E8-S172 WeakPolarHBondContact OE2-CB 3.26Å; E8-S172 PolarHBondContact OE2-N 3.16Å; E8-S172 PolarHBondContact OE2-OG 3.07Å; A170-S172 VanDerWaalsContact C-N 3.25Å; S172-G350 WeakPolarHBondContact CB-O 3.45Å; S172-S351 WeakPolarHBondContact O-CA 3.25Å; S172-S351 PolarHBondContact O-OG 3.33Å; S172-S352 PolarHBondContact O-N 3.39Å
173A71.4Confident87.9Confident65 Ų6545.2 Ų45.254%0.53726%0.256SS..G310 helixtrans-85.3-8.1176.300000113.8A170 L171A170-A173 HydrophobicContact CB-CB 4.24Å; A170-A173 PolarHBondContact O-N 3.42Å; L171-A173 PolarHBondContact O-N 3.07Å
174C82.5Confident87.7Confident49 Ų4944.9 Ų44.933%0.33125%0.253SS..  trans-112.657.3-168.2-650000112.7L171 H290 N291L171-C174 PolarHBondContact O-N 3.41Å; C174-H290 CarbonylContact O-C 3.58Å; C174-H290 WeakPolarHBondContact O-CA 3.2Å; C174-H290 PolarHBondContact O-CD2 2.89Å; C174-N291 HydrophobicContact CB-CB 4.29Å; C174-N291 WeakPolarHBondContact O-CB 3.36Å; C174-N291 PolarHBondContact O-N 2.82Å
175W89.8Confident87.5Confident9 Ų946.8 Ų46.83%0.03426%0.263CS..EExtended strand (participates in β ladder)trans-122.6136177.9-60.980.9000112.2Q33 I42 L86 L171 H290 V353Q33-W175 HydrophobicContact CB-CH2 3.67Å; Q33-W175 HydrophobicContact CB-CZ3 3.87Å; I42-W175 HydrophobicContact CG2-CH2 4.06Å; I42-W175 HydrophobicContact CG2-CZ2 3.22Å; L86-W175 HydrophobicContact CD2-CH2 3.94Å; L86-W175 HydrophobicContact CD2-CZ3 3.75Å; L171-W175 PolarHBondContact O-NE1 2.97Å; W175-H290 HydrophobicContact CE3-CB 4.3Å; W175-H290 HydrophobicContact CH2-CB 4.17Å; W175-H290 HydrophobicContact CZ2-CB 4.38Å; W175-H290 AromaticContact CZ2-CD2 3.98Å; W175-H290 HydrophobicContact CZ3-CB 4.12Å; W175-V353 HydrophobicContact CB-CG2 4Å; W175-V353 HydrophobicContact CD2-CG2 3.51Å; W175-V353 HydrophobicContact CE3-CG2 4.01Å; W175-V353 HydrophobicContact CG-CG2 3.46Å; W175-V353 VanDerWaalsContact CG-CG2 3.46Å
176L90.6Very high87.3Confident7 Ų745.5 Ų45.54%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-94.1136.2169.1-55.8178.2000108.5L232 L233 T247 Y288 I289 N291 P294L176-L232 HydrophobicContact CD1-CD2 3.86Å; L176-L233 HydrophobicContact CD1-CD1 3.96Å; L176-L233 HydrophobicContact CD1-CD2 3.98Å; L176-L233 HydrophobicContact CD1-CG 3.95Å; L176-L233 HydrophobicContact CD2-CD1 4.24Å; L176-L233 HydrophobicContact CD2-CD2 4.27Å; L176-T247 HydrophobicContact CD2-CG2 4.07Å; L176-Y288 WeakPolarHBondContact O-CA 3.33Å; L176-I289 PolarHBondContact N-O 2.93Å; L176-I289 PolarHBondContact O-N 3.45Å; L176-N291 HydrophobicContact CD2-CB 4.32Å; L176-N291 HydrophobicContact CG-CB 4.15Å; L176-P294 HydrophobicContact CD1-CG 3.63Å
177T92.1Very high87Confident16 Ų1645.8 Ų45.810%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-109.7128.6178.8-53.60000110D179 F249 S250 R286 A287 Y288T177-D179 WeakPolarHBondContact CG2-OD2 3.08Å; T177-F249 HydrophobicContact CG2-CD1 4.48Å; T177-S250 PolarHBondContact O-N 3.49Å; T177-R286 HydrophobicContact CG2-CG 3.79Å; T177-A287 WeakPolarHBondContact CA-O 3.5Å; T177-Y288 HydrophobicContact CG2-CD1 4.28Å; T177-Y288 HydrophobicContact CG2-CE1 3.87Å; T177-Y288 WeakPolarHBondContact OG1-CD1 3.3Å; T177-Y288 WeakPolarHBondContact OG1-CE1 3.42Å
178L92.6Very high86.8Confident3 Ų341.2 Ų41.22%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-110.6125.7170.2-60.599.9000108.2I221 V252 R286 A287 I289 A299 L303L178-I221 HydrophobicContact CD2-CD1 4.46Å; L178-V252 HydrophobicContact CB-CG2 4.23Å; L178-V252 HydrophobicContact CD2-CG2 3.93Å; L178-R286 CarbonylContact O-C 3.58Å; L178-R286 VanDerWaalsContact O-CA 3.28Å; L178-R286 WeakPolarHBondContact O-CA 3.45Å; L178-A287 HydrophobicContact CB-CB 4.48Å; L178-A287 PolarHBondContact N-O 3.15Å; L178-A287 PolarHBondContact O-N 2.97Å; L178-I289 HydrophobicContact CD1-CG1 3.98Å; L178-A299 HydrophobicContact CD1-CB 3.98Å; L178-A299 HydrophobicContact CD2-CB 3.86Å; L178-L303 HydrophobicContact CB-CD1 4.48Å; L178-L303 HydrophobicContact CB-CD2 4.36Å
179D91.8Very high86.7Confident22 Ų2238.6 Ų38.612%0.11824%0.235CC..EExtended strand (participates in β ladder)trans-117.1140.9176.4-71-81.3000109T177 S250 V252 C285 R286T177-D179 WeakPolarHBondContact CG2-OD2 3.08Å; D179-S250 PolarHBondContact N-O 3.3Å; D179-V252 PolarHBondContact O-N 2.69Å; D179-C285 WeakPolarHBondContact CA-O 3.4Å; D179-R286 IonicContact OD1-CZ 2.92Å; D179-R286 VanDerWaalsContact OD1-CZ 3.29Å; D179-R286 IonicContact OD1-NE 3.71Å; D179-R286 PolarHBondContact OD1-NE 3.43Å; D179-R286 IonicContact OD1-NH2 2.75Å; D179-R286 PolarHBondContact OD1-NH2 3.24Å; D179-R286 IonicContact OD2-NE 3.53Å; D179-R286 IonicContact OD2-NH2 3.83Å
180C92.6Very high86.8Confident2 Ų235.8 Ų35.81%0.01421%0.214CC..EExtended strand (participates in β ladder)trans-144.7155.7167.967.40000111.7V252 V254 K284 C285 L303C180-V252 HydrophobicContact CB-CB 4.11Å; C180-V252 WeakPolarHBondContact CB-O 3.37Å; C180-V254 HydrophobicContact CB-CG2 4.36Å; C180-K284 WeakPolarHBondContact O-CA 3.42Å; C180-C285 PolarHBondContact N-O 3.04Å; C180-C285 PolarHBondContact O-N 2.7Å; C180-L303 HydrophobicContact CB-CD2 4.04Å
181T92.2Very high86.6Confident84 Ų8436 Ų3652%0.51521%0.207SC..EExtended strand (participates in β ladder)trans-111.8126.7166.6-59.80000109A282 V283T181-A282 HydrophobicContact CG2-CB 3.98Å; T181-V283 CarbonylContact C-O 3.53Å; T181-V283 WeakPolarHBondContact CA-O 3.22Å
182V91.6Very high86.1Confident10 Ų1038.4 Ų38.46%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-113.5123.9-179.9-178.40000109.4V184 W210 V254 A282 V283 I307V182-V184 PolarHBondContact O-N 3.17Å; V182-W210 HydrophobicContact CG1-CZ2 4.47Å; V182-V254 HydrophobicContact CG2-CB 4.26Å; V182-V254 HydrophobicContact CG2-CG2 3.82Å; V182-A282 WeakPolarHBondContact O-CA 3.45Å; V182-V283 HydrophobicContact CB-CG2 3.97Å; V182-V283 PolarHBondContact N-O 2.81Å; V182-V283 PolarHBondContact O-N 2.98Å; V182-I307 HydrophobicContact CB-CG2 4.46Å; V182-I307 HydrophobicContact CG1-CG2 4.36Å; V182-I307 HydrophobicContact CG2-CD1 3.77Å; V182-I307 HydrophobicContact CG2-CG1 3.83Å; V182-I307 HydrophobicContact CG2-CG2 4.07Å
183N91.3Very high85.6Confident133 Ų13343.3 Ų43.371%0.71126%0.256SS*.EExtended strand (participates in β ladder)trans-78.3118.3171.5-66.8-32.4000109.4G281N183-G281 CarbonylContact C-O 3.58Å; N183-G281 WeakPolarHBondContact CA-O 3.33Å
184V91Very high84.9Confident6 Ų641.7 Ų41.74%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-96.3127.4178.1-177.50000108.5V182 I186 W210 L279 K280 G281 V283 L311V182-V184 PolarHBondContact O-N 3.17Å; V184-I186 HydrophobicContact CG1-CD1 3.82Å; V184-I186 HydrophobicContact CG1-CG1 3.83Å; V184-W210 HydrophobicContact CG2-CZ2 4.37Å; V184-L279 HydrophobicContact CG1-CB 4.23Å; V184-K280 CarbonylContact O-C 3.59Å; V184-K280 VanDerWaalsContact O-CA 3.28Å; V184-K280 WeakPolarHBondContact O-CA 3.5Å; V184-G281 PolarHBondContact N-O 2.84Å; V184-G281 PolarHBondContact O-N 3.03Å; V184-V283 HydrophobicContact CG2-CG1 4.02Å; V184-V283 HydrophobicContact CG2-CG2 3.96Å; V184-L311 HydrophobicContact CG1-CD1 4.33Å; V184-L311 HydrophobicContact CG1-CD2 3.68Å; V184-L311 HydrophobicContact CG2-CD2 4.19Å
185N90.5Very high83.3Confident120 Ų12045.3 Ų45.364%0.64226%0.264SS*.EExtended strand (participates in β ladder)trans-148.680.7170.2-175.412.8000108.4L279 K280N185-L279 CarbonylContact C-O 3.32Å; N185-L279 VanDerWaalsContact CA-O 3.3Å; N185-L279 WeakPolarHBondContact CA-O 3.47Å; N185-K280 WeakPolarHBondContact OD1-CE 3.41Å
186I91.3Very high81.6Confident11 Ų1151.4 Ų51.46%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-106.7120.9-175.3-53.2171.4000108.4V184 I188 L207 W210 N278 L279 L311V184-I186 HydrophobicContact CG1-CD1 3.82Å; V184-I186 HydrophobicContact CG1-CG1 3.83Å; I186-I188 HydrophobicContact CG2-CD1 4.22Å; I186-I188 HydrophobicContact CG2-CG1 3.81Å; I186-L207 HydrophobicContact CD1-CD2 4Å; I186-W210 HydrophobicContact CD1-CB 3.77Å; I186-W210 HydrophobicContact CD1-CD2 3.53Å; I186-W210 HydrophobicContact CD1-CE3 4.12Å; I186-W210 HydrophobicContact CD1-CG 3.35Å; I186-W210 HydrophobicContact CG1-CB 4.3Å; I186-W210 HydrophobicContact CG1-CD2 4.4Å; I186-W210 HydrophobicContact CG1-CG 3.87Å; I186-N278 WeakPolarHBondContact O-CA 3.44Å; I186-L279 HydrophobicContact CB-CB 4.16Å; I186-L279 HydrophobicContact CB-CD1 4.41Å; I186-L279 HydrophobicContact CD1-CD1 4.19Å; I186-L279 PolarHBondContact N-O 3.48Å; I186-L279 PolarHBondContact O-N 2.92Å; I186-L311 HydrophobicContact CD1-CD2 3.47Å; I186-L311 VanDerWaalsContact CD1-CD2 3.47Å
187H89.1Confident80.1Confident102 Ų10255 Ų5547%0.47231%0.314SS..EExtended strand (participates in β ladder)trans-102.3122.1172178-85000110.1S276 N278H187-S276 WeakPolarHBondContact NE2-CB 3.37Å; H187-N278 PolarHBondContact CD2-OD1 3.46Å
188I89.3Confident79.2Confident3 Ų357.9 Ų57.92%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-118.3104.7-178-49.6177.2000108.2I186 N202 T203 S276 I277 L279I186-I188 HydrophobicContact CG2-CD1 4.22Å; I186-I188 HydrophobicContact CG2-CG1 3.81Å; I188-N202 WeakPolarHBondContact CG2-O 3.14Å; I188-T203 HydrophobicContact CD1-CG2 4.32Å; I188-S276 CarbonylContact O-C 3.54Å; I188-S276 VanDerWaalsContact O-CA 3.29Å; I188-S276 WeakPolarHBondContact O-CA 3.01Å; I188-I277 HydrophobicContact CB-CB 4.12Å; I188-I277 PolarHBondContact N-O 2.98Å; I188-I277 PolarHBondContact O-N 2.77Å; I188-L279 HydrophobicContact CD1-CD1 4.23Å
189P85.5Confident78.4Confident30 Ų3058.9 Ų58.920%0.19533%0.334CS..EExtended strand (participates in β ladder)trans-69.9139.8176.627.4-32.1000111.3C273P189-C273 VanDerWaalsContact CB-SG 3.55Å
190L82.1Confident77.9Confident14 Ų1462 Ų627%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-100.8116.9172.8-59.5177.2000109.1N202 C273 S274 G275 I277L190-N202 HydrophobicContact CD2-CB 3.6Å; L190-C273 CarbonylContact O-C 3.41Å; L190-C273 WeakPolarHBondContact O-CA 3.14Å; L190-C273 VanDerWaalsContact O-CB 3.24Å; L190-C273 WeakPolarHBondContact O-CB 3.15Å; L190-S274 PolarHBondContact O-N 3.14Å; L190-S274 PolarHBondContact O-OG 3.39Å; L190-G275 WeakPolarHBondContact CB-O 3.42Å; L190-G275 PolarHBondContact N-O 3.47Å; L190-I277 HydrophobicContact CD1-CG1 4.25Å; L190-I277 HydrophobicContact CD2-CD1 4.03Å; L190-I277 HydrophobicContact CD2-CG1 4.06Å; L190-I277 HydrophobicContact CG-CG1 4.3Å
191L73.6Confident77.5Confident61 Ų6168 Ų6832%0.31937%0.374SS..EExtended strand (participates in β ladder)trans-73.7132.6-173.7-56.1-177.5000111.9T193 S194 H197 Q271L191-T193 PolarHBondContact O-N 3.35Å; L191-T193 VanDerWaalsContact O-N 3.12Å; L191-S194 PolarHBondContact O-N 2.98Å; L191-S194 PolarHBondContact O-OG 3.31Å; L191-S194 VanDerWaalsContact O-OG 3.08Å; L191-H197 PolarHBondContact O-CE1 3.28Å; L191-H197 VanDerWaalsContact O-CE1 3.26Å; L191-Q271 VanDerWaalsContact CD2-CD 3.46Å; L191-Q271 HydrophobicContact CD2-CG 3.86Å
192A66.3Low77.2Confident52 Ų5265.2 Ų65.243%0.4336%0.356SS..THydrogen-bonded Turntrans-64.3-18179.300000113.9V272A192-V272 HydrophobicContact CB-CG1 4.01Å
193T59.8Low77Confident110 Ų11064.8 Ų64.868%0.67535%0.353SS*.THydrogen-bonded Turntrans-85.9-4.6-177.956.70000114.3L191 P195L191-T193 PolarHBondContact O-N 3.35Å; L191-T193 VanDerWaalsContact O-N 3.12Å; T193-P195 WeakPolarHBondContact O-CD 3.31Å
194S57.1Low76.9Confident32 Ų3261.7 Ų61.722%0.22433%0.333CS..  trans-96.4107.1176.664.30000110L191 N196 H197L191-S194 PolarHBondContact O-N 2.98Å; L191-S194 PolarHBondContact O-OG 3.31Å; L191-S194 VanDerWaalsContact O-OG 3.08Å; S194-N196 PolarHBondContact O-N 3.03Å; S194-H197 PolarHBondContact O-CE1 3.27Å; S194-H197 PolarHBondContact O-ND1 3.44Å; S194-H197 PolarHBondContact OG-ND1 3.43Å
195P49.9Very low76.8Confident124 Ų12465.1 Ų65.181%0.80535%0.352SS*.SBendtrans-67.5-22.4-176.826.3-33.8000113T193T193-P195 WeakPolarHBondContact O-CD 3.31Å
196N52.9Low76.8Confident138 Ų13859.4 Ų59.474%0.73832%0.321SS*.SBendtrans-11095.9171.8-67.3-10.8000107.9S194 D198S194-N196 PolarHBondContact O-N 3.03Å; N196-D198 PolarHBondContact O-N 3.45Å
197H60.3Low76.9Confident82 Ų8259.1 Ų59.138%0.3832%0.32SS..  trans-69.572.4170.6-62.5-54000109.7L191 S194 L199 S274L191-H197 PolarHBondContact O-CE1 3.28Å; L191-H197 VanDerWaalsContact O-CE1 3.26Å; S194-H197 PolarHBondContact O-CE1 3.27Å; S194-H197 PolarHBondContact O-ND1 3.44Å; S194-H197 PolarHBondContact OG-ND1 3.43Å; H197-L199 VanDerWaalsContact C-N 3.33Å; H197-L199 PolarHBondContact O-N 3.35Å; H197-S274 PolarHBondContact CE1-OG 2.81Å; H197-S274 PolarHBondContact NE2-OG 3.2Å
198D72.9Confident77.1Confident76 Ų7656.9 Ų56.941%0.40631%0.311SS..  trans-62.997.9172.3179.9-12.4000107.9N196 E200 K201 N202N196-D198 PolarHBondContact O-N 3.45Å; D198-E200 VanDerWaalsContact C-N 3.28Å; D198-E200 PolarHBondContact O-N 2.9Å; D198-E200 WeakPolarHBondContact OD1-CB 3.35Å; D198-E200 PolarHBondContact OD1-N 3.14Å; D198-K201 HydrophobicContact CB-CB 3.86Å; D198-K201 PolarHBondContact O-N 3.08Å; D198-K201 PolarHBondContact OD1-N 2.88Å; D198-K201 VanDerWaalsContact OD2-CB 3.27Å; D198-K201 WeakPolarHBondContact OD2-CB 3.44Å; D198-N202 PolarHBondContact O-N 2.62Å; D198-N202 PolarHBondContact O-ND2 3.04Å
199L76.4Confident77.3Confident25 Ų2563 Ų6313%0.13133%0.334CS..Hα-helixtrans-61.1-41.2-174.2-176.871.6000110.5H197 N202 T203 I277 F319 I396H197-L199 VanDerWaalsContact C-N 3.33Å; H197-L199 PolarHBondContact O-N 3.35Å; L199-N202 PolarHBondContact O-N 2.64Å; L199-T203 VanDerWaalsContact O-CB 3.28Å; L199-T203 WeakPolarHBondContact O-CB 3.47Å; L199-T203 PolarHBondContact O-N 2.76Å; L199-T203 PolarHBondContact O-OG1 2.65Å; L199-I277 HydrophobicContact CD1-CD1 3.35Å; L199-I277 HydrophobicContact CD1-CG1 3.8Å; L199-I277 HydrophobicContact CG-CD1 4.3Å; L199-F319 HydrophobicContact CD2-CD1 4.13Å; L199-F319 HydrophobicContact CD2-CE1 3.54Å; L199-F319 HydrophobicContact CG-CE1 3.7Å; L199-F319 HydrophobicContact CG-CZ 4.25Å; L199-I396 HydrophobicContact CD1-CD1 3.94Å; L199-I396 HydrophobicContact CD1-CG1 4.38Å; L199-I396 HydrophobicContact CD2-CD1 3.68Å; L199-I396 HydrophobicContact CG-CD1 4.47Å
200E80.8Confident77.6Confident88 Ų8862.4 Ų62.441%0.41133%0.328SS..Hα-helixtrans-61.4-51.4177.2-171.2-165.6149.600109.8D198 N202 T203 K204 F319D198-E200 VanDerWaalsContact C-N 3.28Å; D198-E200 PolarHBondContact O-N 2.9Å; D198-E200 WeakPolarHBondContact OD1-CB 3.35Å; D198-E200 PolarHBondContact OD1-N 3.14Å; E200-N202 PolarHBondContact O-N 2.74Å; E200-T203 PolarHBondContact O-N 2.71Å; E200-K204 VanDerWaalsContact O-CB 3.29Å; E200-K204 WeakPolarHBondContact O-CB 3.47Å; E200-K204 PolarHBondContact O-N 3.21Å; E200-F319 HydrophobicContact CB-CD2 4.3Å; E200-F319 HydrophobicContact CB-CG 4.45Å; E200-F319 HydrophobicContact CG-CD2 4.01Å; E200-F319 HydrophobicContact CG-CG 4.43Å
201K83.9Confident78.2Confident126 Ų12661.8 Ų61.855%0.54833%0.325SS..Hα-helixtrans-61.9-43.6179.5-177.4179.2-178.2179.20112.8D198 K204 N205D198-K201 HydrophobicContact CB-CB 3.86Å; D198-K201 PolarHBondContact O-N 3.08Å; D198-K201 PolarHBondContact OD1-N 2.88Å; D198-K201 VanDerWaalsContact OD2-CB 3.27Å; D198-K201 WeakPolarHBondContact OD2-CB 3.44Å; K201-K204 PolarHBondContact O-N 2.6Å; K201-N205 WeakPolarHBondContact O-CB 3.3Å; K201-N205 PolarHBondContact O-N 3.29Å; K201-N205 PolarHBondContact O-ND2 3.4Å
202N85.1Confident79.2Confident27 Ų2765 Ų6514%0.14434%0.336CS..Hα-helixtrans-66-42.1178.4-76-64.2000111.5I188 L190 D198 L199 E200 N205 G206 I277I188-N202 WeakPolarHBondContact CG2-O 3.14Å; L190-N202 HydrophobicContact CD2-CB 3.6Å; D198-N202 PolarHBondContact O-N 2.62Å; D198-N202 PolarHBondContact O-ND2 3.04Å; L199-N202 PolarHBondContact O-N 2.64Å; E200-N202 PolarHBondContact O-N 2.74Å; N202-N205 PolarHBondContact O-N 2.94Å; N202-G206 PolarHBondContact O-N 2.86Å; N202-I277 HydrophobicContact CB-CD1 4.47Å
203T88.1Confident80.4Confident1 Ų166.8 Ų66.81%0.00634%0.336CS..Hα-helixtrans-61-48.7175.3-56.90000110.7I188 L199 E200 N205 G206 L207 I277 L279 C315 F319I188-T203 HydrophobicContact CD1-CG2 4.32Å; L199-T203 VanDerWaalsContact O-CB 3.28Å; L199-T203 WeakPolarHBondContact O-CB 3.47Å; L199-T203 PolarHBondContact O-N 2.76Å; L199-T203 PolarHBondContact O-OG1 2.65Å; E200-T203 PolarHBondContact O-N 2.71Å; T203-N205 VanDerWaalsContact C-N 3.28Å; T203-N205 PolarHBondContact O-N 3.32Å; T203-G206 WeakPolarHBondContact O-CA 3.3Å; T203-G206 PolarHBondContact O-N 3.25Å; T203-L207 HydrophobicContact CG2-CD1 3.97Å; T203-L207 HydrophobicContact CG2-CG 4.22Å; T203-L207 WeakPolarHBondContact O-CG 3.49Å; T203-L207 PolarHBondContact O-N 2.98Å; T203-I277 WeakPolarHBondContact OG1-CD1 3.49Å; T203-L279 HydrophobicContact CG2-CD1 4.46Å; T203-C315 HydrophobicContact CG2-CB 4.29Å; T203-F319 HydrophobicContact CG2-CE2 3.73Å; T203-F319 HydrophobicContact CG2-CZ 3.79Å; T203-F319 VanDerWaalsContact OG1-CZ 3.27Å; T203-F319 WeakPolarHBondContact OG1-CZ 3.33Å
204K89.6Confident82.1Confident68 Ų6861.6 Ų61.630%0.29630%0.303SS..Hα-helixtrans-56.8-40.9176-173.2166.6-173.2157.70112.2L123 E200 K201 L207 N208L123-K204 HydrophobicContact CD2-CG 4.34Å; E200-K204 VanDerWaalsContact O-CB 3.29Å; E200-K204 WeakPolarHBondContact O-CB 3.47Å; E200-K204 PolarHBondContact O-N 3.21Å; K201-K204 PolarHBondContact O-N 2.6Å; K204-L207 PolarHBondContact O-N 3.02Å; K204-N208 WeakPolarHBondContact O-CB 3.47Å; K204-N208 PolarHBondContact O-N 2.88Å; K204-N208 PolarHBondContact O-ND2 3.08Å
205N88.8Confident83.9Confident78 Ų7863.5 Ų63.542%0.41731%0.309SS..Hα-helixtrans-65.5-39.1175.5-70.7-23.5000112.6K201 N202 T203 R209K201-N205 WeakPolarHBondContact O-CB 3.3Å; K201-N205 PolarHBondContact O-N 3.29Å; K201-N205 PolarHBondContact O-ND2 3.4Å; N202-N205 PolarHBondContact O-N 2.94Å; T203-N205 VanDerWaalsContact C-N 3.28Å; T203-N205 PolarHBondContact O-N 3.32Å; N205-R209 PolarHBondContact O-N 3.17Å
206G90.6Very high85.9Confident0 Ų062.9 Ų62.90%030%0.299CS..Hα-helixtrans-65.9-45.6174.300000112.6N202 T203 N208 R209 W210N202-G206 PolarHBondContact O-N 2.86Å; T203-G206 WeakPolarHBondContact O-CA 3.3Å; T203-G206 PolarHBondContact O-N 3.25Å; G206-N208 VanDerWaalsContact C-N 3.33Å; G206-N208 PolarHBondContact O-N 3.18Å; G206-R209 PolarHBondContact O-N 3.26Å; G206-R209 VanDerWaalsContact O-N 3.11Å; G206-W210 PolarHBondContact O-N 3.47Å
207L93.8Very high87.8Confident5 Ų556.6 Ų56.63%0.02627%0.266CS..Hα-helixtrans-63.4-36.6176.6-66.9175.3000112.2L123 I186 T203 K204 R209 W210 S211 L279 L311 C315L123-L207 HydrophobicContact CD1-CB 3.49Å; L123-L207 VanDerWaalsContact CD1-CB 3.49Å; L123-L207 HydrophobicContact CD1-CD1 4.31Å; I186-L207 HydrophobicContact CD1-CD2 4Å; T203-L207 HydrophobicContact CG2-CD1 3.97Å; T203-L207 HydrophobicContact CG2-CG 4.22Å; T203-L207 WeakPolarHBondContact O-CG 3.49Å; T203-L207 PolarHBondContact O-N 2.98Å; K204-L207 PolarHBondContact O-N 3.02Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 3.04Å; L207-W210 HydrophobicContact CD2-CE3 4.49Å; L207-W210 PolarHBondContact O-N 3.14Å; L207-S211 WeakPolarHBondContact O-CB 3.36Å; L207-S211 PolarHBondContact O-N 3.4Å; L207-S211 PolarHBondContact O-OG 3.39Å; L207-L279 HydrophobicContact CD2-CD1 3.73Å; L207-L279 HydrophobicContact CG-CD1 4.42Å; L207-L311 HydrophobicContact CD2-CD2 3.69Å; L207-L311 HydrophobicContact CD2-CG 3.89Å; L207-C315 HydrophobicContact CD1-CB 4.07Å
208N93.2Very high89.4Confident55 Ų5555.3 Ų55.329%0.29426%0.264SS..Hα-helixtrans-63.4-29.7173.4-86.3-64.2000113.6K204 G206 S211 K212K204-N208 WeakPolarHBondContact O-CB 3.47Å; K204-N208 PolarHBondContact O-N 2.88Å; K204-N208 PolarHBondContact O-ND2 3.08Å; G206-N208 VanDerWaalsContact C-N 3.33Å; G206-N208 PolarHBondContact O-N 3.18Å; N208-S211 WeakPolarHBondContact CA-OG 3.43Å; N208-S211 PolarHBondContact O-OG 3.05Å; N208-S211 VanDerWaalsContact O-OG 3.06Å; N208-K212 WeakPolarHBondContact O-CG 3.26Å
209R91.7Very high90.4Very high131 Ų13152.2 Ų52.249%0.49425%0.247SC..Hα-helixtrans-76-42.2174-72.7-177-75.2115.1-6.5110.7N205 G206 L207 Q213N205-R209 PolarHBondContact O-N 3.17Å; G206-R209 PolarHBondContact O-N 3.26Å; G206-R209 VanDerWaalsContact O-N 3.11Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 3.04Å; R209-Q213 PolarHBondContact O-N 2.82Å
210W93.4Very high91.1Very high18 Ų1852.6 Ų52.67%0.06825%0.249CC..Hα-helixtrans-67.6-37.1177.6177.276.8000112.5V182 V184 I186 G206 L207 K212 Q213 I214 I307 L311V182-W210 HydrophobicContact CG1-CZ2 4.47Å; V184-W210 HydrophobicContact CG2-CZ2 4.37Å; I186-W210 HydrophobicContact CD1-CB 3.77Å; I186-W210 HydrophobicContact CD1-CD2 3.53Å; I186-W210 HydrophobicContact CD1-CE3 4.12Å; I186-W210 HydrophobicContact CD1-CG 3.35Å; I186-W210 HydrophobicContact CG1-CB 4.3Å; I186-W210 HydrophobicContact CG1-CD2 4.4Å; I186-W210 HydrophobicContact CG1-CG 3.87Å; G206-W210 PolarHBondContact O-N 3.47Å; L207-W210 HydrophobicContact CD2-CE3 4.49Å; L207-W210 PolarHBondContact O-N 3.14Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.92Å; W210-Q213 WeakPolarHBondContact O-CA 3.29Å; W210-Q213 WeakPolarHBondContact O-CB 3.24Å; W210-Q213 PolarHBondContact O-N 3.15Å; W210-I214 HydrophobicContact CD2-CG1 4.02Å; W210-I214 HydrophobicContact CE3-CG1 4.3Å; W210-I214 HydrophobicContact CH2-CD1 4.45Å; W210-I214 HydrophobicContact CH2-CG1 4.02Å; W210-I214 HydrophobicContact CZ2-CD1 3.75Å; W210-I214 HydrophobicContact CZ2-CG1 3.68Å; W210-I214 HydrophobicContact CZ3-CG1 4.29Å; W210-I214 PolarHBondContact O-N 3.35Å; W210-I307 HydrophobicContact CH2-CG2 3.58Å; W210-I307 HydrophobicContact CZ2-CG2 4.03Å; W210-L311 HydrophobicContact CD2-CD2 4.23Å; W210-L311 HydrophobicContact CE3-CD2 3.86Å; W210-L311 HydrophobicContact CH2-CB 3.97Å; W210-L311 HydrophobicContact CH2-CD2 3.61Å; W210-L311 HydrophobicContact CH2-CG 4.46Å; W210-L311 HydrophobicContact CZ2-CD2 4.03Å; W210-L311 HydrophobicContact CZ3-CB 3.84Å; W210-L311 HydrophobicContact CZ3-CD2 3.53Å; W210-L311 HydrophobicContact CZ3-CG 4.29Å
211S95Very high91.5Very high1 Ų148.6 Ų48.61%0.00723%0.23CC..Hα-helixtrans-59.3-41177.866.50000111.4L123 L207 N208 Q213 I214 E215L123-S211 WeakPolarHBondContact O-CB 3.4Å; L123-S211 PolarHBondContact O-OG 3.02Å; L207-S211 WeakPolarHBondContact O-CB 3.36Å; L207-S211 PolarHBondContact O-N 3.4Å; L207-S211 PolarHBondContact O-OG 3.39Å; N208-S211 WeakPolarHBondContact CA-OG 3.43Å; N208-S211 PolarHBondContact O-OG 3.05Å; N208-S211 VanDerWaalsContact O-OG 3.06Å; S211-Q213 VanDerWaalsContact C-N 3.33Å; S211-Q213 PolarHBondContact O-N 3.25Å; S211-I214 CarbonylContact O-C 3.53Å; S211-I214 WeakPolarHBondContact O-CA 3.46Å; S211-I214 WeakPolarHBondContact O-CB 3.37Å; S211-I214 PolarHBondContact O-N 3.03Å; S211-I214 VanDerWaalsContact O-N 3.09Å; S211-E215 WeakPolarHBondContact O-CG 3.4Å; S211-E215 PolarHBondContact O-N 3.33Å
212K93Very high91.7Very high129 Ų12946.3 Ų46.356%0.56122%0.224SC*.Hα-helixtrans-59.8-40.6172.4-67177.7-178.6-175.40112.8N208 W210 I214 E215 D216N208-K212 WeakPolarHBondContact O-CG 3.26Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.92Å; K212-I214 VanDerWaalsContact C-N 3.26Å; K212-I214 PolarHBondContact O-N 2.91Å; K212-E215 PolarHBondContact O-N 2.79Å; K212-D216 WeakPolarHBondContact O-CB 3.34Å; K212-D216 PolarHBondContact O-N 2.8Å
213Q92.8Very high91.7Very high89 Ų8947.7 Ų47.742%0.41625%0.245SC..Hα-helixtrans-63.3-34.3175.4-63.2176.2-2200112.1R209 W210 S211 S217R209-Q213 PolarHBondContact O-N 2.82Å; W210-Q213 WeakPolarHBondContact O-CA 3.29Å; W210-Q213 WeakPolarHBondContact O-CB 3.24Å; W210-Q213 PolarHBondContact O-N 3.15Å; S211-Q213 VanDerWaalsContact C-N 3.33Å; S211-Q213 PolarHBondContact O-N 3.25Å; Q213-S217 WeakPolarHBondContact O-CB 3.47Å; Q213-S217 PolarHBondContact O-N 3.13Å; Q213-S217 VanDerWaalsContact O-N 3.11Å
214I95.3Very high91.8Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-73.4-40.5173.5-60.2-59.1000110.9W210 S211 K212 D216 S217 T256 K304 I307 I308W210-I214 HydrophobicContact CD2-CG1 4.02Å; W210-I214 HydrophobicContact CE3-CG1 4.3Å; W210-I214 HydrophobicContact CH2-CD1 4.45Å; W210-I214 HydrophobicContact CH2-CG1 4.02Å; W210-I214 HydrophobicContact CZ2-CD1 3.75Å; W210-I214 HydrophobicContact CZ2-CG1 3.68Å; W210-I214 HydrophobicContact CZ3-CG1 4.29Å; W210-I214 PolarHBondContact O-N 3.35Å; S211-I214 CarbonylContact O-C 3.53Å; S211-I214 WeakPolarHBondContact O-CA 3.46Å; S211-I214 WeakPolarHBondContact O-CB 3.37Å; S211-I214 PolarHBondContact O-N 3.03Å; S211-I214 VanDerWaalsContact O-N 3.09Å; K212-I214 VanDerWaalsContact C-N 3.26Å; K212-I214 PolarHBondContact O-N 2.91Å; I214-D216 VanDerWaalsContact C-N 3.27Å; I214-D216 PolarHBondContact O-N 3.05Å; I214-S217 WeakPolarHBondContact O-CB 3.45Å; I214-S217 PolarHBondContact O-N 2.86Å; I214-S217 VanDerWaalsContact O-N 3.14Å; I214-S217 PolarHBondContact O-OG 3.4Å; I214-T256 HydrophobicContact CD1-CG2 3.96Å; I214-K304 HydrophobicContact CG2-CB 4.19Å; I214-K304 HydrophobicContact CG2-CG 4.18Å; I214-K304 WeakPolarHBondContact O-CD 3.35Å; I214-K304 VanDerWaalsContact O-CE 3.26Å; I214-K304 WeakPolarHBondContact O-CE 3.25Å; I214-I307 HydrophobicContact CD1-CG2 4.17Å; I214-I307 HydrophobicContact CG1-CG2 4.19Å; I214-I307 HydrophobicContact CG2-CB 4.23Å; I214-I307 HydrophobicContact CG2-CD1 4.45Å; I214-I307 HydrophobicContact CG2-CG2 3.99Å; I214-I308 HydrophobicContact CB-CD1 4.24Å; I214-I308 HydrophobicContact CB-CG1 4.04Å; I214-I308 HydrophobicContact CG2-CD1 4.11Å; I214-I308 HydrophobicContact CG2-CG1 3.91Å
215E93.8Very high91.8Very high72 Ų7255 Ų5534%0.33629%0.286SS..Hα-helixtrans-58.8-39.1173.3-72.4179.7134.900111.6W124 S211 K212 S217 K304 I308W124-E215 VanDerWaalsContact CB-OE1 3.31Å; W124-E215 WeakPolarHBondContact CB-OE1 3.24Å; S211-E215 WeakPolarHBondContact O-CG 3.4Å; S211-E215 PolarHBondContact O-N 3.33Å; K212-E215 PolarHBondContact O-N 2.79Å; E215-S217 VanDerWaalsContact C-N 3.35Å; E215-K304 PolarHBondContact O-NZ 3.28Å; E215-I308 HydrophobicContact CG-CD1 3.97Å
216D92.6Very high91.8Very high112 Ų11253.3 Ų53.360%0.59928%0.275SS*.THydrogen-bonded Turntrans-84.4-5178-64.3-28.5000113.9K212 I214K212-D216 WeakPolarHBondContact O-CB 3.34Å; K212-D216 PolarHBondContact O-N 2.8Å; I214-D216 VanDerWaalsContact C-N 3.27Å; I214-D216 PolarHBondContact O-N 3.05Å
217S93.5Very high91.9Very high5 Ų558.1 Ų58.14%0.03530%0.301CS..PPolyproline II helixtrans-68.8155.4-177.470.80000113.2Q213 I214 E215 L219 L255 K304Q213-S217 WeakPolarHBondContact O-CB 3.47Å; Q213-S217 PolarHBondContact O-N 3.13Å; Q213-S217 VanDerWaalsContact O-N 3.11Å; I214-S217 WeakPolarHBondContact O-CB 3.45Å; I214-S217 PolarHBondContact O-N 2.86Å; I214-S217 VanDerWaalsContact O-N 3.14Å; I214-S217 PolarHBondContact O-OG 3.4Å; E215-S217 VanDerWaalsContact C-N 3.35Å; S217-L219 WeakPolarHBondContact OG-CD1 3.48Å; S217-L255 WeakPolarHBondContact CA-O 3.43Å; S217-L255 WeakPolarHBondContact CB-O 3.33Å; S217-K304 VanDerWaalsContact O-CE 3.24Å; S217-K304 WeakPolarHBondContact O-CE 3.23Å; S217-K304 PolarHBondContact O-NZ 3.4Å; S217-K304 WeakPolarHBondContact OG-CE 3.32Å
218V93.2Very high91.7Very high56 Ų5662.2 Ų62.234%0.33932%0.323SS..EExtended strand (participates in β ladder)trans-100.8128.7173.81780000109V225 L255V218-V225 HydrophobicContact CG1-CG1 4.11Å; V218-V225 HydrophobicContact CG1-CG2 3.56Å; V218-L255 HydrophobicContact CB-CB 4.4Å; V218-L255 PolarHBondContact N-O 3.33Å; V218-L255 WeakPolarHBondContact O-CB 3.23Å; V218-L255 PolarHBondContact O-N 3.42Å
219L93.1Very high91.6Very high11 Ų1164.1 Ų64.16%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-101.1125.7177.6-86.861.5000109.9S217 V252 K253 V254 V300 L303 K304S217-L219 WeakPolarHBondContact OG-CD1 3.48Å; L219-V252 HydrophobicContact CB-CG1 3.95Å; L219-V252 HydrophobicContact CD2-CG1 3.88Å; L219-V252 HydrophobicContact CG-CG1 3.83Å; L219-K253 WeakPolarHBondContact CA-O 3.15Å; L219-V254 HydrophobicContact CD1-CG1 4.22Å; L219-V254 HydrophobicContact CD1-CG2 4.37Å; L219-V254 HydrophobicContact CG-CG2 4.3Å; L219-V300 HydrophobicContact CB-CG2 4.21Å; L219-V300 HydrophobicContact CD2-CB 4.34Å; L219-V300 HydrophobicContact CD2-CG1 4.09Å; L219-V300 HydrophobicContact CD2-CG2 4.31Å; L219-L303 HydrophobicContact CD2-CB 4.18Å; L219-L303 HydrophobicContact CD2-CD2 3.85Å; L219-L303 HydrophobicContact CD2-CG 4.39Å; L219-K304 HydrophobicContact CD1-CD 4.47Å; L219-K304 HydrophobicContact CD1-CG 4.11Å; L219-K304 HydrophobicContact CD2-CG 4.4Å
220L92Very high91.6Very high33 Ų3359.9 Ų59.917%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-92.2112.4169.2-64.3174.4000108.8Q224 V225 V252 K253 L255L220-Q224 CarbonylContact C-O 3.56Å; L220-Q224 WeakPolarHBondContact CA-O 3.13Å; L220-V225 HydrophobicContact CD2-CB 4.48Å; L220-V225 HydrophobicContact CD2-CG2 3.4Å; L220-V252 WeakPolarHBondContact O-CA 3.2Å; L220-K253 HydrophobicContact CB-CB 4.22Å; L220-K253 HydrophobicContact CD1-CB 4.41Å; L220-K253 PolarHBondContact N-O 3.47Å; L220-K253 PolarHBondContact O-N 3.39Å; L220-L255 HydrophobicContact CD1-CD1 3.71Å; L220-L255 HydrophobicContact CD1-CD2 4.38Å; L220-L255 HydrophobicContact CD1-CG 4.14Å; L220-L255 HydrophobicContact CD2-CD1 4.4Å; L220-L255 HydrophobicContact CG-CD1 3.86Å; L220-L255 HydrophobicContact CG-CG 4.27Å
221I90Very high91.5Very high3 Ų362.9 Ų62.92%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-96.5114.9176-56.4175.9000107L178 G223 Q224 L232 V252 V296 V300L178-I221 HydrophobicContact CD2-CD1 4.46Å; I221-G223 PolarHBondContact O-N 2.74Å; I221-Q224 PolarHBondContact N-O 2.79Å; I221-Q224 PolarHBondContact O-N 3.32Å; I221-Q224 VanDerWaalsContact O-N 3.16Å; I221-L232 HydrophobicContact CD1-CD1 3.74Å; I221-L232 HydrophobicContact CG2-CD1 4.45Å; I221-V252 HydrophobicContact CG1-CG2 4.23Å; I221-V296 HydrophobicContact CD1-CG1 4.24Å; I221-V300 HydrophobicContact CD1-CG2 4.14Å
222N86.2Confident91.1Very high78 Ų7863.2 Ų63.242%0.41734%0.338SS..THydrogen-bonded Turntrans54.438.9-174-57.2-40.3000112.4Q224 S250 D251N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 3.25Å; N222-S250 PolarHBondContact ND2-OG 2.82Å; N222-S250 WeakPolarHBondContact OD1-CA 3.42Å; N222-D251 PolarHBondContact N-O 3.08Å
223G86.8Confident90.6Very high56 Ų5659.5 Ų59.558%0.57732%0.324SS*.THydrogen-bonded Turntrans794.3178.400000115.7I221I221-G223 PolarHBondContact O-N 2.74Å
224Q88.8Confident89.7Confident128 Ų12860.9 Ų60.960%0.59833%0.331SS*.BIsolated β-bridgetrans-122.2141.5-179.3-63.2-176.6-9.500111.7L220 I221 N222L220-Q224 CarbonylContact C-O 3.56Å; L220-Q224 WeakPolarHBondContact CA-O 3.13Å; I221-Q224 PolarHBondContact N-O 2.79Å; I221-Q224 PolarHBondContact O-N 3.32Å; I221-Q224 VanDerWaalsContact O-N 3.16Å; N222-Q224 VanDerWaalsContact C-N 3.32Å; N222-Q224 PolarHBondContact O-N 3.25Å
225V90.2Very high88.1Confident96 Ų9664.6 Ų64.658%0.58237%0.369SS*.PPolyproline II helixtrans-81.9120.2162.7-174.30000106.8V218 L220V218-V225 HydrophobicContact CG1-CG1 4.11Å; V218-V225 HydrophobicContact CG1-CG2 3.56Å; L220-V225 HydrophobicContact CD2-CB 4.48Å; L220-V225 HydrophobicContact CD2-CG2 3.4Å
226K89.4Confident86.5Confident42 Ų4264.6 Ų64.618%0.18337%0.371CS..PPolyproline II helixtrans-100.8153.3174.5-63-170.3177.9-164.40110.1L232 E234 V296K226-L232 PolarHBondContact NZ-O 3.24Å; K226-E234 PolarHBondContact NZ-O 2.92Å; K226-V296 HydrophobicContact CB-CB 4.46Å; K226-V296 HydrophobicContact CB-CG1 4.01Å; K226-V296 HydrophobicContact CB-CG2 3.71Å; K226-V296 HydrophobicContact CD-CG2 4Å
227D91.5Very high84.5Confident101 Ų10168.7 Ų68.754%0.5438%0.383SS..PPolyproline II helixtrans-67.9140.2174.1178.1-89.4000110.9D229 T230 V296D227-D229 VanDerWaalsContact C-N 3.25Å; D227-D229 PolarHBondContact O-N 2.86Å; D227-D229 PolarHBondContact OD1-N 2.66Å; D227-T230 HydrophobicContact CB-CG2 3.85Å; D227-T230 PolarHBondContact O-N 2.93Å; D227-T230 PolarHBondContact O-OG1 3.33Å; D227-V296 WeakPolarHBondContact O-CB 3.42Å
228N90.6Very high82.2Confident91 Ų9178.1 Ų78.149%0.48742%0.423SS..THydrogen-bonded Turntrans-59.9-31.9-172.3-82.4-20.3000113.9K297N228-K297 HydrophobicContact CB-CB 4.01Å; N228-K297 WeakPolarHBondContact O-CB 3.38Å; N228-K297 PolarHBondContact O-N 2.97Å
229D91.3Very high79.7Confident94 Ų9483.7 Ų83.750%0.50345%0.451SS..THydrogen-bonded Turntrans-92.3-8.6-174.8-80.5-54.1000114.1D227 K295D227-D229 VanDerWaalsContact C-N 3.25Å; D227-D229 PolarHBondContact O-N 2.86Å; D227-D229 PolarHBondContact OD1-N 2.66Å; D229-K295 IonicContact OD1-NZ 3.24Å; D229-K295 PolarHBondContact OD1-NZ 2.7Å
230T92.2Very high77.2Confident42 Ų4295.5 Ų95.526%0.25849%0.494SS..SBendtrans-71.3154.2175.960.40000112.5D227 K295 V296D227-T230 HydrophobicContact CB-CG2 3.85Å; D227-T230 PolarHBondContact O-N 2.93Å; D227-T230 PolarHBondContact O-OG1 3.33Å; T230-K295 WeakPolarHBondContact O-CA 3.1Å; T230-V296 PolarHBondContact O-N 3.2Å; T230-V296 WeakPolarHBondContact OG1-CG2 3.36Å
231E89.9Confident74.6Confident82 Ų8296.6 Ų96.638%0.38351%0.514SS..BIsolated β-bridgetrans-69.5133.8173.1-68.4-173.9-176.100109.1L233 E234 K293E231-L233 PolarHBondContact O-N 2.96Å; E231-L233 VanDerWaalsContact O-N 3.12Å; E231-E234 HydrophobicContact CB-CB 4.2Å; E231-E234 WeakPolarHBondContact O-CB 3.25Å; E231-E234 PolarHBondContact O-N 3.22Å; E231-K293 HydrophobicContact CG-CB 4.48Å; E231-K293 WeakPolarHBondContact OE1-CD 3.49Å
232L86.4Confident72Confident7 Ų7104.8 Ų104.84%0.03756%0.558CS.*THydrogen-bonded Turntrans-56.6-36.1-175.1-178.365.2000112.6L176 I221 K226 P294 V296 A299L176-L232 HydrophobicContact CD1-CD2 3.86Å; I221-L232 HydrophobicContact CD1-CD1 3.74Å; I221-L232 HydrophobicContact CG2-CD1 4.45Å; K226-L232 PolarHBondContact NZ-O 3.24Å; L232-P294 HydrophobicContact CB-CG 4.21Å; L232-P294 WeakPolarHBondContact CB-O 3.47Å; L232-P294 HydrophobicContact CD2-CG 4.38Å; L232-P294 PolarHBondContact N-O 3.05Å; L232-V296 HydrophobicContact CD1-CG2 4.2Å; L232-A299 HydrophobicContact CD1-CB 4.05Å; L232-A299 HydrophobicContact CD2-CB 3.8Å
233L82.9Confident69.6Low51 Ų51106.6 Ų106.627%0.26757%0.572SS.*THydrogen-bonded Turntrans-91.12.7-178.7-60.8179000113.8L176 E231 G235 L236 N291L176-L233 HydrophobicContact CD1-CD1 3.96Å; L176-L233 HydrophobicContact CD1-CD2 3.98Å; L176-L233 HydrophobicContact CD1-CG 3.95Å; L176-L233 HydrophobicContact CD2-CD1 4.24Å; L176-L233 HydrophobicContact CD2-CD2 4.27Å; E231-L233 PolarHBondContact O-N 2.96Å; E231-L233 VanDerWaalsContact O-N 3.12Å; L233-G235 PolarHBondContact O-N 2.89Å; L233-L236 HydrophobicContact CD2-CD1 3.71Å; L233-L236 PolarHBondContact O-N 3.25Å; L233-N291 VanDerWaalsContact CD1-OD1 3.29Å; L233-N291 WeakPolarHBondContact CD1-OD1 3.44Å
234E73.4Confident67.5Low119 Ų119113.7 Ų113.756%0.55659%0.59SS**THydrogen-bonded Turntrans-60.3130178-162.2169.7-178.200110.3K226 E231K226-E234 PolarHBondContact NZ-O 2.92Å; E231-E234 HydrophobicContact CB-CB 4.2Å; E231-E234 WeakPolarHBondContact O-CB 3.25Å; E231-E234 PolarHBondContact O-N 3.22Å
235G62Low65.1Low78 Ų78112 Ų11280%0.80459%0.592SS**THydrogen-bonded Turntrans87.5-10.9-177.600000116.3L233 K237L233-G235 PolarHBondContact O-N 2.89Å; G235-K237 PolarHBondContact O-N 3.15Å
236L61.6Low62.9Low72 Ų72113.8 Ų113.838%0.37760%0.598SS.*  trans-76.9102.1170.8-74.5166.6000109.3L233 K238L233-L236 HydrophobicContact CD2-CD1 3.71Å; L233-L236 PolarHBondContact O-N 3.25Å; L236-K238 PolarHBondContact O-N 2.93Å
237K48.7Very low60.9Low198 Ų198114.5 Ų114.586%0.86161%0.606SS**  trans-57.3115.1172.8-71.8-178179.6176.40108.4G235 L239G235-K237 PolarHBondContact O-N 3.15Å; K237-L239 PolarHBondContact O-N 2.87Å
238K46.7Very low59.3Low202 Ų202115.3 Ų115.388%0.87861%0.607SS**  trans-51.9105.6165.9-76-176.2176.2-178.70107.6L236 R240L236-K238 PolarHBondContact O-N 2.93Å; K238-R240 PolarHBondContact O-N 3.13Å
239L40.2Very low57.7Low174 Ų174118.1 Ų118.191%0.91162%0.615SS**  trans-57.3110.9169.6-88.9151.8000106.5K237 G241K237-L239 PolarHBondContact O-N 2.87Å; L239-G241 PolarHBondContact O-N 3.46Å
240R40.5Very low56.4Low258 Ų258114.4 Ų114.497%0.97460%0.596SS**  trans-63.3100.3175.2-80.9-179175.3-177.9-1.8108K238K238-R240 PolarHBondContact O-N 3.13Å
241G36.6Very low55.7Low56 Ų56116.9 Ų116.958%0.57761%0.608SS**  trans-165.8124.2171.500000108.8L239 T243L239-G241 PolarHBondContact O-N 3.46Å; G241-T243 PolarHBondContact O-N 3.22Å
242N35.9Very low55.7Low176 Ų176113.1 Ų113.194%0.94159%0.59SS**SBendtrans-73.565.7-173.6-169.936000112.3
243T36.4Very low56Low116 Ų116118.3 Ų118.371%0.71261%0.613SS**SBendtrans-141.2125.9169.2-350000105.9G241 S245G241-T243 PolarHBondContact O-N 3.22Å; T243-S245 PolarHBondContact O-N 2.89Å
244Q41.6Very low56.5Low205 Ų205117.3 Ų117.396%0.95861%0.608SS**  trans-58.487.4172.3-75.9172-20.100108.8N246Q244-N246 PolarHBondContact O-N 3.31Å; Q244-N246 VanDerWaalsContact O-N 3.17Å
245S40.1Very low57.3Low91 Ų91115.7 Ų115.764%0.63660%0.603SS**  trans-76.3105.5178.458.20000107.7T243 T247T243-S245 PolarHBondContact O-N 2.89Å; S245-T247 WeakPolarHBondContact O-CA 3.43Å; S245-T247 PolarHBondContact O-N 3.46Å; S245-T247 PolarHBondContact O-OG1 3.5Å
246N43.7Very low58.5Low134 Ų134115.4 Ų115.472%0.71759%0.586SS**  trans-36.1103161.9-127.7-5000108.4Q244 Q248Q244-N246 PolarHBondContact O-N 3.31Å; Q244-N246 VanDerWaalsContact O-N 3.17Å; N246-Q248 PolarHBondContact O-N 3.09Å
247T47.8Very low58.9Low57 Ų57118.8 Ų118.835%0.3560%0.6SS.*  trans-79.392.7-160.2-53.30000110.6L176 S245L176-T247 HydrophobicContact CD2-CG2 4.07Å; S245-T247 WeakPolarHBondContact O-CA 3.43Å; S245-T247 PolarHBondContact O-N 3.46Å; S245-T247 PolarHBondContact O-OG1 3.5Å
248Q56.3Low59.7Low119 Ų119116.5 Ų116.556%0.55660%0.597SS**  trans52.1106.7140.5-145.3169.716.600118.4N246 S250N246-Q248 PolarHBondContact O-N 3.09Å; Q248-S250 PolarHBondContact O-N 3.26Å
249F56.7Low60.1Low149 Ų149112.1 Ų112.165%0.65459%0.591SS**  trans-53.2125.9161-51.2-86000110.1T177T177-F249 HydrophobicContact CG2-CD1 4.48Å
250S65.5Low60.7Low16 Ų16112.2 Ų112.211%0.11259%0.587CS.*EExtended strand (participates in β ladder)trans-99.5117.9166.9-63.60000108.4T177 D179 N222 Q248 V252T177-S250 PolarHBondContact O-N 3.49Å; D179-S250 PolarHBondContact N-O 3.3Å; N222-S250 PolarHBondContact ND2-OG 2.82Å; N222-S250 WeakPolarHBondContact OD1-CA 3.42Å; Q248-S250 PolarHBondContact O-N 3.26Å; S250-V252 PolarHBondContact O-N 3.04Å
251D78.1Confident61.1Low95 Ų95102.3 Ų102.351%0.50857%0.565SS.*EExtended strand (participates in β ladder)trans-67.1114.1166.4177.535.6000107.3N222N222-D251 PolarHBondContact N-O 3.08Å
252V89.6Confident61.8Low2 Ų2106.2 Ų106.21%0.01258%0.583CS.*EExtended strand (participates in β ladder)trans-106.6125.7179.9-178.70000109.6L178 D179 C180 L219 L220 I221 S250 L303L178-V252 HydrophobicContact CB-CG2 4.23Å; L178-V252 HydrophobicContact CD2-CG2 3.93Å; D179-V252 PolarHBondContact O-N 2.69Å; C180-V252 HydrophobicContact CB-CB 4.11Å; C180-V252 WeakPolarHBondContact CB-O 3.37Å; L219-V252 HydrophobicContact CB-CG1 3.95Å; L219-V252 HydrophobicContact CD2-CG1 3.88Å; L219-V252 HydrophobicContact CG-CG1 3.83Å; L220-V252 WeakPolarHBondContact O-CA 3.2Å; I221-V252 HydrophobicContact CG1-CG2 4.23Å; S250-V252 PolarHBondContact O-N 3.04Å; V252-L303 HydrophobicContact CB-CD2 3.67Å; V252-L303 HydrophobicContact CG1-CD2 3.54Å; V252-L303 HydrophobicContact CG2-CD2 3.96Å
253K92.2Very high62.6Low117 Ų117103.1 Ų103.151%0.50958%0.576SS.*EExtended strand (participates in β ladder)trans-101.5129.4172.7-62-178-179.5178.80110L219 L220L219-K253 WeakPolarHBondContact CA-O 3.15Å; L220-K253 HydrophobicContact CB-CB 4.22Å; L220-K253 HydrophobicContact CD1-CB 4.41Å; L220-K253 PolarHBondContact N-O 3.47Å; L220-K253 PolarHBondContact O-N 3.39Å
254V92.6Very high63.3Low29 Ų29102.5 Ų102.518%0.17658%0.575CS.*EExtended strand (participates in β ladder)trans-95.3118.2178.1-175.80000108.7C180 V182 L219 T256 I307C180-V254 HydrophobicContact CB-CG2 4.36Å; V182-V254 HydrophobicContact CG2-CB 4.26Å; V182-V254 HydrophobicContact CG2-CG2 3.82Å; L219-V254 HydrophobicContact CD1-CG1 4.22Å; L219-V254 HydrophobicContact CD1-CG2 4.37Å; L219-V254 HydrophobicContact CG-CG2 4.3Å; V254-T256 HydrophobicContact CG1-CG2 4.5Å; V254-I307 HydrophobicContact CG2-CD1 3.72Å
255L91Very high63.9Low85 Ų85104.2 Ų104.245%0.44557%0.573SS.*EExtended strand (participates in β ladder)trans-104.7105.6175.3-56.1-178.1000108.9S217 V218 L220S217-L255 WeakPolarHBondContact CA-O 3.43Å; S217-L255 WeakPolarHBondContact CB-O 3.33Å; V218-L255 HydrophobicContact CB-CB 4.4Å; V218-L255 PolarHBondContact N-O 3.33Å; V218-L255 WeakPolarHBondContact O-CB 3.23Å; V218-L255 PolarHBondContact O-N 3.42Å; L220-L255 HydrophobicContact CD1-CD1 3.71Å; L220-L255 HydrophobicContact CD1-CD2 4.38Å; L220-L255 HydrophobicContact CD1-CG 4.14Å; L220-L255 HydrophobicContact CD2-CD1 4.4Å; L220-L255 HydrophobicContact CG-CD1 3.86Å; L220-L255 HydrophobicContact CG-CG 4.27Å
256T86.3Confident64.6Low73 Ų73105.5 Ų105.545%0.44858%0.582SS.*PPolyproline II helixtrans-80.8136.1170.452.70000109.1I214 V254 L258I214-T256 HydrophobicContact CD1-CG2 3.96Å; V254-T256 HydrophobicContact CG1-CG2 4.5Å; T256-L258 PolarHBondContact O-N 3.36Å
257Q71.3Confident65.4Low142 Ų142104.6 Ų104.666%0.66458%0.581SS**PPolyproline II helixtrans-63.9129.6174.4-71.2-177-5.700109S259Q257-S259 PolarHBondContact O-N 3.48Å
258L65.1Low66.4Low151 Ų151106.6 Ų106.679%0.79160%0.603SS**PPolyproline II helixtrans-62.7129.7163.4-67.3168.8000106.7T256 Q260T256-L258 PolarHBondContact O-N 3.36Å; L258-Q260 PolarHBondContact O-N 2.82Å
259S55.1Low66.9Low110 Ų110106.9 Ų106.977%0.76961%0.613SS**SBendtrans-65.734.5-175.9-34.40000114.5Q257Q257-S259 PolarHBondContact O-N 3.48Å
260Q52.2Low67.9Low176 Ų176106 Ų10682%0.82262%0.62SS**  trans-109.582.3178.7-67.5-176.2-2.300108.6L258L258-Q260 PolarHBondContact O-N 2.82Å
261G48.7Very low68.4Low50 Ų50110.6 Ų110.652%0.51564%0.64SS.*  trans-63.1139.4164.300000110S263 C264G261-S263 PolarHBondContact O-N 3.47Å; G261-C264 PolarHBondContact O-N 2.83Å
262S51.7Low68.5Low137 Ų137108 Ų10896%0.95863%0.627SS**THydrogen-bonded Turntrans-67.613-171.956.70000116.2
263S53.3Low68Low112 Ų112109.9 Ų109.978%0.78364%0.64SS**THydrogen-bonded Turntrans-140.3-1.1176.572.80000115.6G261 R265G261-S263 PolarHBondContact O-N 3.47Å; S263-R265 PolarHBondContact O-N 3.43Å
264C50.1Low67.2Low103 Ų103105.9 Ų105.970%0.69663%0.627SS**  trans-91.2110.3-177.7-73.90000110.7G261 S266G261-C264 PolarHBondContact O-N 2.83Å; C264-S266 PolarHBondContact O-N 2.91Å
265R55.4Low66.7Low240 Ų240104.8 Ų104.891%0.90662%0.622SS**  trans-58.7105.8158.2-80.5-177.9169.4171.9-2.7107.2S263 T267S263-R265 PolarHBondContact O-N 3.43Å; R265-T267 VanDerWaalsContact C-N 3.32Å; R265-T267 PolarHBondContact O-N 3.21Å
266S54.2Low66.4Low118 Ų118101.7 Ų101.783%0.82561%0.607SS**  trans-67.991.1175.6-173.50000108.7C264 A268C264-S266 PolarHBondContact O-N 2.91Å; S266-A268 PolarHBondContact O-N 3.39Å
267T61.5Low66.4Low116 Ų11698.2 Ų98.271%0.71259%0.586SS**  trans-73.3112.8166.237.30000107.6R265 T269R265-T267 VanDerWaalsContact C-N 3.32Å; R265-T267 PolarHBondContact O-N 3.21Å; T267-T269 PolarHBondContact O-N 3.32Å; T267-T269 VanDerWaalsContact O-N 3.09Å
268A67.9Low67.3Low98 Ų9892.5 Ų92.581%0.8156%0.559SS**PPolyproline II helixtrans-58.6116.7172.200000108.5S266S266-A268 PolarHBondContact O-N 3.39Å
269T67.1Low68.5Low125 Ų12585.4 Ų85.477%0.76752%0.522SS*.PPolyproline II helixtrans-92.4127.8173.351.60000108.5T267T267-T269 PolarHBondContact O-N 3.32Å; T267-T269 VanDerWaalsContact O-N 3.09Å
270V77.3Confident70.2Confident130 Ų13084.7 Ų84.779%0.78851%0.505SS*.PPolyproline II helixtrans-89.1126.5173.2179.90000107.9
271Q75.8Confident72Confident113 Ų11377.4 Ų77.453%0.52848%0.477SS..  trans-122.3122.7178.6-172.7165.834.100109.8L191 C273L191-Q271 VanDerWaalsContact CD2-CD 3.46Å; L191-Q271 HydrophobicContact CD2-CG 3.86Å; Q271-C273 PolarHBondContact O-N 2.9Å; Q271-C273 PolarHBondContact O-SG 2.61Å
272V79.4Confident74Confident41 Ų4176.1 Ų76.125%0.24846%0.462CS..  trans-73.2117.8176.9179.60000109.4A192 L411A192-V272 HydrophobicContact CB-CG1 4.01Å; V272-L411 HydrophobicContact CG1-CD1 3.92Å; V272-L411 HydrophobicContact CG1-CG 4.46Å; V272-L411 HydrophobicContact CG2-CD1 4.33Å
273C79.3Confident75.9Confident41 Ų4169.6 Ų69.628%0.27742%0.416SS..EExtended strand (participates in β ladder)trans-123.2144.4-176.2-57.20000109.8P189 L190 Q271P189-C273 VanDerWaalsContact CB-SG 3.55Å; L190-C273 CarbonylContact O-C 3.41Å; L190-C273 WeakPolarHBondContact O-CA 3.14Å; L190-C273 VanDerWaalsContact O-CB 3.24Å; L190-C273 WeakPolarHBondContact O-CB 3.15Å; Q271-C273 PolarHBondContact O-N 2.9Å; Q271-C273 PolarHBondContact O-SG 2.61Å
274S76.6Confident77.7Confident34 Ų3467.1 Ų67.124%0.23839%0.392CS..EExtended strand (participates in β ladder)trans-90.7-5.3171.9550000112.9L190 H197 V399L190-S274 PolarHBondContact O-N 3.14Å; L190-S274 PolarHBondContact O-OG 3.39Å; H197-S274 PolarHBondContact CE1-OG 2.81Å; H197-S274 PolarHBondContact NE2-OG 3.2Å; S274-V399 VanDerWaalsContact C-CG2 3.45Å; S274-V399 WeakPolarHBondContact O-CB 3.32Å; S274-V399 VanDerWaalsContact O-CG2 3.32Å; S274-V399 WeakPolarHBondContact O-CG2 3.37Å; S274-V399 PolarHBondContact O-N 3.12Å
275G81.3Confident79.8Confident6 Ų662.2 Ų62.26%0.06236%0.358CS..EExtended strand (participates in β ladder)trans174.8-172.1176.400000112.3L190 C397L190-G275 WeakPolarHBondContact CB-O 3.42Å; L190-G275 PolarHBondContact N-O 3.47Å; G275-C397 CarbonylContact C-O 3.47Å; G275-C397 WeakPolarHBondContact CA-O 3.24Å
276S84.7Confident81.7Confident19 Ų1952 Ų5213%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-148.3152.4173.160.40000112.1H187 I188 N278 C397H187-S276 WeakPolarHBondContact NE2-CB 3.37Å; I188-S276 CarbonylContact O-C 3.54Å; I188-S276 VanDerWaalsContact O-CA 3.29Å; I188-S276 WeakPolarHBondContact O-CA 3.01Å; S276-N278 PolarHBondContact OG-ND2 2.91Å; S276-C397 PolarHBondContact N-O 3.26Å; S276-C397 PolarHBondContact O-N 3.19Å
277I87.2Confident83.7Confident1 Ų146.3 Ų46.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-106.6129.9166.6-45.7170000107.3I188 L190 L199 N202 T203 L279 V394I188-I277 HydrophobicContact CB-CB 4.12Å; I188-I277 PolarHBondContact N-O 2.98Å; I188-I277 PolarHBondContact O-N 2.77Å; L190-I277 HydrophobicContact CD1-CG1 4.25Å; L190-I277 HydrophobicContact CD2-CD1 4.03Å; L190-I277 HydrophobicContact CD2-CG1 4.06Å; L190-I277 HydrophobicContact CG-CG1 4.3Å; L199-I277 HydrophobicContact CD1-CD1 3.35Å; L199-I277 HydrophobicContact CD1-CG1 3.8Å; L199-I277 HydrophobicContact CG-CD1 4.3Å; N202-I277 HydrophobicContact CB-CD1 4.47Å; T203-I277 WeakPolarHBondContact OG1-CD1 3.49Å; I277-L279 HydrophobicContact CG2-CD2 4.25Å; I277-V394 HydrophobicContact CG2-CG1 3.8Å
278N89Confident85.3Confident21 Ų2140.9 Ų40.911%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-119.3111.7178.3-67-84.1000109.2I186 H187 S276 V394 H395I186-N278 WeakPolarHBondContact O-CA 3.44Å; H187-N278 PolarHBondContact CD2-OD1 3.46Å; S276-N278 PolarHBondContact OG-ND2 2.91Å; N278-V394 CarbonylContact O-C 3.55Å; N278-V394 WeakPolarHBondContact O-CA 3.46Å; N278-H395 HydrophobicContact CB-CB 4.2Å; N278-H395 PolarHBondContact N-O 3.17Å; N278-H395 PolarHBondContact O-N 2.84Å
279L91.3Very high86.5Confident2 Ų236.4 Ų36.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-95.2115.6172-51.9173.9000107.7V184 N185 I186 I188 T203 L207 I277 V394V184-L279 HydrophobicContact CG1-CB 4.23Å; N185-L279 CarbonylContact C-O 3.32Å; N185-L279 VanDerWaalsContact CA-O 3.3Å; N185-L279 WeakPolarHBondContact CA-O 3.47Å; I186-L279 HydrophobicContact CB-CB 4.16Å; I186-L279 HydrophobicContact CB-CD1 4.41Å; I186-L279 HydrophobicContact CD1-CD1 4.19Å; I186-L279 PolarHBondContact N-O 3.48Å; I186-L279 PolarHBondContact O-N 2.92Å; I188-L279 HydrophobicContact CD1-CD1 4.23Å; T203-L279 HydrophobicContact CG2-CD1 4.46Å; L207-L279 HydrophobicContact CD2-CD1 3.73Å; L207-L279 HydrophobicContact CG-CD1 4.42Å; I277-L279 HydrophobicContact CG2-CD2 4.25Å; L279-V394 HydrophobicContact CD2-CB 3.94Å; L279-V394 HydrophobicContact CD2-CG1 3.62Å; L279-V394 HydrophobicContact CD2-CG2 3.33Å
280K90.3Very high87.6Confident95 Ų9531.2 Ų31.241%0.41318%0.176SC..EExtended strand (participates in β ladder)trans-132.3140.3-176.6-70-175.5179.1178.30111.2V184 N185 N392 T393V184-K280 CarbonylContact O-C 3.59Å; V184-K280 VanDerWaalsContact O-CA 3.28Å; V184-K280 WeakPolarHBondContact O-CA 3.5Å; N185-K280 WeakPolarHBondContact OD1-CE 3.41Å; K280-N392 WeakPolarHBondContact O-CA 3.36Å; K280-T393 PolarHBondContact N-O 3.04Å; K280-T393 PolarHBondContact O-N 3.45Å; K280-T393 VanDerWaalsContact O-O 3.11Å
281G90Very high88.1Confident23 Ų2328 Ų2824%0.23715%0.154CC..EExtended strand (participates in β ladder)trans153.6-164.3175.100000114.9N183 V184 V391 N392N183-G281 CarbonylContact C-O 3.58Å; N183-G281 WeakPolarHBondContact CA-O 3.33Å; V184-G281 PolarHBondContact N-O 2.84Å; V184-G281 PolarHBondContact O-N 3.03Å; G281-V391 CarbonylContact C-O 3.58Å; G281-V391 WeakPolarHBondContact CA-O 3.37Å; G281-N392 VanDerWaalsContact C-OD1 3.32Å; G281-N392 VanDerWaalsContact CA-OD1 3.29Å; G281-N392 WeakPolarHBondContact CA-OD1 3.49Å
282A90.3Very high88.7Confident23 Ų2326 Ų2619%0.1915%0.148CC..EExtended strand (participates in β ladder)trans-129.2125.1172.600000109.2T181 V182 E390 V391 N392T181-A282 HydrophobicContact CG2-CB 3.98Å; V182-A282 WeakPolarHBondContact O-CA 3.45Å; A282-E390 WeakPolarHBondContact O-CB 3.28Å; A282-V391 PolarHBondContact N-O 3.08Å; A282-N392 PolarHBondContact N-OD1 3.26Å; A282-N392 PolarHBondContact O-ND2 2.84Å; A282-N392 PolarHBondContact O-OD1 3.03Å
283V91.5Very high89Confident0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-109.2138.3178.1-58.60000110.1T181 V182 V184 T310 N392T181-V283 CarbonylContact C-O 3.53Å; T181-V283 WeakPolarHBondContact CA-O 3.22Å; V182-V283 HydrophobicContact CB-CG2 3.97Å; V182-V283 PolarHBondContact N-O 2.81Å; V182-V283 PolarHBondContact O-N 2.98Å; V184-V283 HydrophobicContact CG2-CG1 4.02Å; V184-V283 HydrophobicContact CG2-CG2 3.96Å; V283-T310 HydrophobicContact CB-CG2 4.42Å; V283-N392 WeakPolarHBondContact CG1-OD1 3.2Å
284K91.9Very high89.5Confident61 Ų6129 Ų2927%0.26515%0.153SC..EExtended strand (participates in β ladder)trans-97.9122175.2-167.9172.9-174.8170.50108.2C180 A388 E390C180-K284 WeakPolarHBondContact O-CA 3.42Å; K284-A388 HydrophobicContact CB-CB 4.19Å; K284-A388 HydrophobicContact CD-CB 4.43Å; K284-E390 WeakPolarHBondContact CA-OE1 3.39Å; K284-E390 HydrophobicContact CB-CG 3.89Å; K284-E390 VanDerWaalsContact CB-OE1 3.28Å; K284-E390 WeakPolarHBondContact CB-OE1 3.17Å; K284-E390 VanDerWaalsContact N-CD 3.26Å; K284-E390 PolarHBondContact N-OE1 3.33Å
285C94.8Very high90.2Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-119.2147.9-175.6-60.80000109.3D179 C180 L303 D306 I307D179-C285 WeakPolarHBondContact CA-O 3.4Å; C180-C285 PolarHBondContact N-O 3.04Å; C180-C285 PolarHBondContact O-N 2.7Å; C285-L303 HydrophobicContact CB-CD1 4.42Å; C285-D306 WeakPolarHBondContact CA-OD2 3.33Å; C285-D306 WeakPolarHBondContact CB-OD2 3.49Å; C285-I307 HydrophobicContact CB-CG1 3.7Å
286R94.6Very high90.7Very high24 Ų2430.6 Ų30.69%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-140.8135.9-175.5-176.5171.6-67.9176.5-6.1110.7P83 G84 T177 L178 D179 Y288 D306 F345P83-R286 WeakPolarHBondContact CB-O 3.45Å; G84-R286 PolarHBondContact N-O 3.01Å; T177-R286 HydrophobicContact CG2-CG 3.79Å; L178-R286 CarbonylContact O-C 3.58Å; L178-R286 VanDerWaalsContact O-CA 3.28Å; L178-R286 WeakPolarHBondContact O-CA 3.45Å; D179-R286 IonicContact OD1-CZ 2.92Å; D179-R286 VanDerWaalsContact OD1-CZ 3.29Å; D179-R286 IonicContact OD1-NE 3.71Å; D179-R286 PolarHBondContact OD1-NE 3.43Å; D179-R286 IonicContact OD1-NH2 2.75Å; D179-R286 PolarHBondContact OD1-NH2 3.24Å; D179-R286 IonicContact OD2-NE 3.53Å; D179-R286 IonicContact OD2-NH2 3.83Å; R286-Y288 WeakPolarHBondContact CD-OH 3.3Å; R286-Y288 HydrophobicContact CG-CE2 3.92Å; R286-D306 PolarHBondContact N-OD2 2.83Å; R286-F345 HydrophobicContact CB-CE1 4.11Å; R286-F345 HydrophobicContact CB-CZ 4.06Å
287A95.8Very high91.1Very high0 Ų032.6 Ų32.60%016%0.16CC..EExtended strand (participates in β ladder)trans-127.3150170.200000111.5G84 T177 L178 A302 L303G84-A287 CarbonylContact O-C 3.52Å; G84-A287 VanDerWaalsContact O-CA 3.24Å; G84-A287 WeakPolarHBondContact O-CA 3.37Å; T177-A287 WeakPolarHBondContact CA-O 3.5Å; L178-A287 HydrophobicContact CB-CB 4.48Å; L178-A287 PolarHBondContact N-O 3.15Å; L178-A287 PolarHBondContact O-N 2.97Å; A287-A302 HydrophobicContact CB-CB 3.86Å; A287-L303 HydrophobicContact CB-CB 4.03Å; A287-L303 HydrophobicContact CB-CD1 3.92Å
288Y94.6Very high91.4Very high2 Ų234.6 Ų34.61%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-119.6135.8175.1-61.1-83.8000110.5Q33 P83 G84 L86 L176 T177 R286 V353 M354Q33-Y288 PolarHBondContact NE2-O 2.86Å; P83-Y288 HydrophobicContact CB-CD2 4.07Å; P83-Y288 HydrophobicContact CB-CE2 3.91Å; P83-Y288 HydrophobicContact CG-CE2 4.05Å; G84-Y288 PolarHBondContact O-N 2.87Å; L86-Y288 HydrophobicContact CD1-CD2 4.14Å; L176-Y288 WeakPolarHBondContact O-CA 3.33Å; T177-Y288 HydrophobicContact CG2-CD1 4.28Å; T177-Y288 HydrophobicContact CG2-CE1 3.87Å; T177-Y288 WeakPolarHBondContact OG1-CD1 3.3Å; T177-Y288 WeakPolarHBondContact OG1-CE1 3.42Å; R286-Y288 WeakPolarHBondContact CD-OH 3.3Å; R286-Y288 HydrophobicContact CG-CE2 3.92Å; Y288-V353 HydrophobicContact CD1-CB 4.5Å; Y288-V353 HydrophobicContact CD1-CG2 4.04Å; Y288-V353 HydrophobicContact CD2-CG1 4.16Å; Y288-V353 HydrophobicContact CE1-CG2 4.49Å; Y288-V353 HydrophobicContact CE2-CG1 4.17Å; Y288-V353 HydrophobicContact CG-CG1 4.4Å; Y288-V353 HydrophobicContact CG-CG2 4.15Å; Y288-M354 VanDerWaalsContact CE2-O 3.3Å; Y288-M354 WeakPolarHBondContact CE2-O 3.2Å; Y288-M354 VanDerWaalsContact CZ-N 3.33Å; Y288-M354 WeakPolarHBondContact OH-CA 3.44Å; Y288-M354 WeakPolarHBondContact OH-CB 3.44Å; Y288-M354 VanDerWaalsContact OH-CG 3.22Å; Y288-M354 WeakPolarHBondContact OH-CG 3.43Å; Y288-M354 PolarHBondContact OH-N 2.83Å; Y288-M354 PolarHBondContact OH-O 3.03Å
289I93.2Very high91.6Very high4 Ų433.6 Ų33.62%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-130.4132174.7-55.8-68.8000109.4L176 L178 N291 P294 A299 A302L176-I289 PolarHBondContact N-O 2.93Å; L176-I289 PolarHBondContact O-N 3.45Å; L178-I289 HydrophobicContact CD1-CG1 3.98Å; I289-N291 PolarHBondContact O-N 2.83Å; I289-P294 HydrophobicContact CB-CB 4.47Å; I289-P294 HydrophobicContact CG2-CB 3.27Å; I289-P294 HydrophobicContact CG2-CG 3.98Å; I289-A299 HydrophobicContact CG1-CB 4.04Å; I289-A302 HydrophobicContact CD1-CB 3.63Å
290H91.7Very high91.7Very high16 Ų1634.4 Ų34.47%0.07417%0.169CC..EExtended strand (participates in β ladder)trans-64.8136.1176.6-173.4-80.4000110.3Y40 C174 W175 N292Y40-H290 AromaticContact CD1-CD2 3.55Å; Y40-H290 AromaticContact CD1-CE1 3.9Å; Y40-H290 AromaticContact CD1-CG 3.79Å; Y40-H290 AromaticContact CD1-NE2 3.62Å; Y40-H290 HydrophobicContact CD2-CB 3.8Å; Y40-H290 AromaticContact CD2-CG 3.89Å; Y40-H290 AromaticContact CE1-CD2 3.8Å; Y40-H290 AromaticContact CE1-CE1 3.39Å; Y40-H290 WeakPolarHBondContact CE1-CE1 3.38Å; Y40-H290 AromaticContact CE1-CG 3.69Å; Y40-H290 AromaticContact CE1-ND1 3.43Å; Y40-H290 WeakPolarHBondContact CE1-ND1 3.28Å; Y40-H290 AromaticContact CE1-NE2 3.61Å; Y40-H290 HydrophobicContact CE2-CB 3.81Å; Y40-H290 AromaticContact CE2-CG 3.8Å; Y40-H290 AromaticContact CE2-ND1 3.94Å; Y40-H290 HydrophobicContact CG-CB 4.21Å; Y40-H290 AromaticContact CG-CD2 3.8Å; Y40-H290 AromaticContact CG-CG 3.89Å; Y40-H290 AromaticContact CZ-CE1 3.86Å; Y40-H290 AromaticContact CZ-CG 3.7Å; Y40-H290 AromaticContact CZ-ND1 3.41Å; C174-H290 CarbonylContact O-C 3.58Å; C174-H290 WeakPolarHBondContact O-CA 3.2Å; C174-H290 PolarHBondContact O-CD2 2.89Å; W175-H290 HydrophobicContact CE3-CB 4.3Å; W175-H290 HydrophobicContact CH2-CB 4.17Å; W175-H290 HydrophobicContact CZ2-CB 4.38Å; W175-H290 AromaticContact CZ2-CD2 3.98Å; W175-H290 HydrophobicContact CZ3-CB 4.12Å; H290-N292 WeakPolarHBondContact ND1-CB 3.5Å; H290-N292 PolarHBondContact ND1-N 2.87Å; H290-N292 PolarHBondContact O-N 3.48Å
291N87.1Confident92Very high62 Ų6232.6 Ų32.633%0.33216%0.162SC..SBendtrans-8052.2-174.5-169.513.1000112.8C174 L176 L233 I289C174-N291 HydrophobicContact CB-CB 4.29Å; C174-N291 WeakPolarHBondContact O-CB 3.36Å; C174-N291 PolarHBondContact O-N 2.82Å; L176-N291 HydrophobicContact CD2-CB 4.32Å; L176-N291 HydrophobicContact CG-CB 4.15Å; L233-N291 VanDerWaalsContact CD1-OD1 3.29Å; L233-N291 WeakPolarHBondContact CD1-OD1 3.44Å; I289-N291 PolarHBondContact O-N 2.83Å
292N87.3Confident92.2Very high72 Ų7231.8 Ų31.839%0.38515%0.153SC..SBendtrans-116.274.2172.3-177.425.3000109.7Y40 H290Y40-N292 VanDerWaalsContact OH-CB 3.25Å; Y40-N292 WeakPolarHBondContact OH-CB 3.07Å; Y40-N292 PolarHBondContact OH-ND2 2.64Å; H290-N292 WeakPolarHBondContact ND1-CB 3.5Å; H290-N292 PolarHBondContact ND1-N 2.87Å; H290-N292 PolarHBondContact O-N 3.48Å
293K86.6Confident92.5Very high142 Ų14230.7 Ų30.762%0.61714%0.144SC*.SBendtrans49.252.4-178.3-58.6-179.8170.7-160.30113E231E231-K293 HydrophobicContact CG-CB 4.48Å; E231-K293 WeakPolarHBondContact OE1-CD 3.49Å
294P89.6Confident92.8Very high3 Ų332.3 Ų32.32%0.01915%0.151CC..  trans-66.2143.2-176.927.5-31.9000110.8L176 L232 I289L176-P294 HydrophobicContact CD1-CG 3.63Å; L232-P294 HydrophobicContact CB-CG 4.21Å; L232-P294 WeakPolarHBondContact CB-O 3.47Å; L232-P294 HydrophobicContact CD2-CG 4.38Å; L232-P294 PolarHBondContact N-O 3.05Å; I289-P294 HydrophobicContact CB-CB 4.47Å; I289-P294 HydrophobicContact CG2-CB 3.27Å; I289-P294 HydrophobicContact CG2-CG 3.98Å
295K91.8Very high93Very high71 Ų7131.2 Ų31.231%0.30915%0.145SC..BIsolated β-bridgetrans-82.3153.5174.8-72.9-174.2162.8-163.40111.1D229 T230 K297 E298 A299D229-K295 IonicContact OD1-NZ 3.24Å; D229-K295 PolarHBondContact OD1-NZ 2.7Å; T230-K295 WeakPolarHBondContact O-CA 3.1Å; K295-K297 HydrophobicContact CB-CG 3.99Å; K295-K297 HydrophobicContact CD-CD 4.44Å; K295-K297 HydrophobicContact CD-CG 4.44Å; K295-K297 PolarHBondContact O-N 2.87Å; K295-E298 HydrophobicContact CB-CG 4.31Å; K295-E298 PolarHBondContact N-OE2 2.72Å; K295-E298 VanDerWaalsContact N-OE2 3.07Å; K295-E298 PolarHBondContact O-N 3.32Å; K295-A299 PolarHBondContact O-N 2.89Å
296V92.6Very high93.1Very high2 Ų231.2 Ų31.21%0.01215%0.146CC..Hα-helixtrans-55.4-41.5172.7172.30000111.2I221 K226 D227 T230 L232 E298 A299 V300I221-V296 HydrophobicContact CD1-CG1 4.24Å; K226-V296 HydrophobicContact CB-CB 4.46Å; K226-V296 HydrophobicContact CB-CG1 4.01Å; K226-V296 HydrophobicContact CB-CG2 3.71Å; K226-V296 HydrophobicContact CD-CG2 4Å; D227-V296 WeakPolarHBondContact O-CB 3.42Å; T230-V296 PolarHBondContact O-N 3.2Å; T230-V296 WeakPolarHBondContact OG1-CG2 3.36Å; L232-V296 HydrophobicContact CD1-CG2 4.2Å; V296-E298 VanDerWaalsContact C-N 3.3Å; V296-E298 PolarHBondContact O-N 2.99Å; V296-A299 PolarHBondContact O-N 3.03Å; V296-V300 HydrophobicContact CG1-CG2 3.99Å; V296-V300 WeakPolarHBondContact O-CG2 3.41Å; V296-V300 PolarHBondContact O-N 3.43Å
297K93.1Very high93.2Very high60 Ų6030.1 Ų30.126%0.26114%0.141SC..Hα-helixtrans-56.2-41.9179.172.2-179.3-169.7172.20113.5E129 N228 K295 Q301E129-K297 IonicContact OE2-NZ 2.67Å; E129-K297 PolarHBondContact OE2-NZ 2.93Å; N228-K297 HydrophobicContact CB-CB 4.01Å; N228-K297 WeakPolarHBondContact O-CB 3.38Å; N228-K297 PolarHBondContact O-N 2.97Å; K295-K297 HydrophobicContact CB-CG 3.99Å; K295-K297 HydrophobicContact CD-CD 4.44Å; K295-K297 HydrophobicContact CD-CG 4.44Å; K295-K297 PolarHBondContact O-N 2.87Å; K297-Q301 WeakPolarHBondContact O-CB 3.26Å; K297-Q301 PolarHBondContact O-N 2.97Å
298E92.5Very high93.3Very high44 Ų4430.1 Ų30.121%0.20614%0.141CC..Hα-helixtrans-66.4-42.4-178.2-63.517415000110.5K295 V296 A302K295-E298 HydrophobicContact CB-CG 4.31Å; K295-E298 PolarHBondContact N-OE2 2.72Å; K295-E298 VanDerWaalsContact N-OE2 3.07Å; K295-E298 PolarHBondContact O-N 3.32Å; V296-E298 VanDerWaalsContact C-N 3.3Å; V296-E298 PolarHBondContact O-N 2.99Å; E298-A302 VanDerWaalsContact O-CB 3.28Å; E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.32Å
299A93.2Very high93.3Very high0 Ų031.7 Ų31.70%015%0.15CC..Hα-helixtrans-67.8-45.9178.800000112.9L178 L232 I289 K295 V296 Q301 A302 L303L178-A299 HydrophobicContact CD1-CB 3.98Å; L178-A299 HydrophobicContact CD2-CB 3.86Å; L232-A299 HydrophobicContact CD1-CB 4.05Å; L232-A299 HydrophobicContact CD2-CB 3.8Å; I289-A299 HydrophobicContact CG1-CB 4.04Å; K295-A299 PolarHBondContact O-N 2.89Å; V296-A299 PolarHBondContact O-N 3.03Å; A299-Q301 VanDerWaalsContact C-N 3.33Å; A299-Q301 PolarHBondContact O-N 2.82Å; A299-A302 PolarHBondContact O-N 3.22Å; A299-L303 PolarHBondContact O-N 2.7Å; A299-L303 VanDerWaalsContact O-N 3.07Å
300V94.4Very high93.4Very high18 Ų1831.5 Ų31.511%0.10915%0.149CC..Hα-helixtrans-59.9-45.8176.5165.60000110.5L219 I221 V296 L303 K304L219-V300 HydrophobicContact CB-CG2 4.21Å; L219-V300 HydrophobicContact CD2-CB 4.34Å; L219-V300 HydrophobicContact CD2-CG1 4.09Å; L219-V300 HydrophobicContact CD2-CG2 4.31Å; I221-V300 HydrophobicContact CD1-CG2 4.14Å; V296-V300 HydrophobicContact CG1-CG2 3.99Å; V296-V300 WeakPolarHBondContact O-CG2 3.41Å; V296-V300 PolarHBondContact O-N 3.43Å; V300-L303 PolarHBondContact O-N 2.54Å; V300-K304 HydrophobicContact CG1-CD 4.04Å; V300-K304 WeakPolarHBondContact O-CB 3.32Å; V300-K304 WeakPolarHBondContact O-CG 3.19Å; V300-K304 PolarHBondContact O-N 3.4Å
301Q94.9Very high93.6Very high58 Ų5830.8 Ų30.827%0.27115%0.145SC..Hα-helixtrans-65.9-44-179.9-179.5167.228.700112.5E130 K297 A299 L303 K304 R305E130-Q301 PolarHBondContact OE1-NE2 2.66Å; K297-Q301 WeakPolarHBondContact O-CB 3.26Å; K297-Q301 PolarHBondContact O-N 2.97Å; A299-Q301 VanDerWaalsContact C-N 3.33Å; A299-Q301 PolarHBondContact O-N 2.82Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 2.73Å; Q301-K304 PolarHBondContact O-N 2.77Å; Q301-R305 WeakPolarHBondContact O-CB 3.4Å; Q301-R305 WeakPolarHBondContact O-CD 3.42Å; Q301-R305 VanDerWaalsContact O-CG 3.23Å; Q301-R305 WeakPolarHBondContact O-CG 3.36Å; Q301-R305 PolarHBondContact O-N 2.8Å
302A95.6Very high94Very high6 Ų628 Ų285%0.0513%0.131CC..Hα-helixtrans-58.3-43.5175.400000111.8G84 A287 I289 E298 A299 D306G84-A302 VanDerWaalsContact CA-O 3.29Å; G84-A302 WeakPolarHBondContact CA-O 3.31Å; A287-A302 HydrophobicContact CB-CB 3.86Å; I289-A302 HydrophobicContact CD1-CB 3.63Å; E298-A302 VanDerWaalsContact O-CB 3.28Å; E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.32Å; A299-A302 PolarHBondContact O-N 3.22Å; A302-D306 PolarHBondContact O-N 2.87Å; A302-D306 VanDerWaalsContact O-N 3.07Å
303L96.3Very high94.3Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-71.7-42.4179.9-167.164.2000112.7L178 C180 L219 V252 C285 A287 A299 V300 Q301 R305 D306 I307L178-L303 HydrophobicContact CB-CD1 4.48Å; L178-L303 HydrophobicContact CB-CD2 4.36Å; C180-L303 HydrophobicContact CB-CD2 4.04Å; L219-L303 HydrophobicContact CD2-CB 4.18Å; L219-L303 HydrophobicContact CD2-CD2 3.85Å; L219-L303 HydrophobicContact CD2-CG 4.39Å; V252-L303 HydrophobicContact CB-CD2 3.67Å; V252-L303 HydrophobicContact CG1-CD2 3.54Å; V252-L303 HydrophobicContact CG2-CD2 3.96Å; C285-L303 HydrophobicContact CB-CD1 4.42Å; A287-L303 HydrophobicContact CB-CB 4.03Å; A287-L303 HydrophobicContact CB-CD1 3.92Å; A299-L303 PolarHBondContact O-N 2.7Å; A299-L303 VanDerWaalsContact O-N 3.07Å; V300-L303 PolarHBondContact O-N 2.54Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 2.73Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 2.91Å; L303-D306 WeakPolarHBondContact O-CB 3.26Å; L303-D306 PolarHBondContact O-N 3.44Å; L303-D306 VanDerWaalsContact O-N 3.16Å; L303-I307 HydrophobicContact CG-CD1 4.31Å; L303-I307 WeakPolarHBondContact O-CD1 3.27Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.47Å; L303-I307 PolarHBondContact O-N 3.33Å
304K96.5Very high94.6Very high33 Ų3318.6 Ų18.614%0.1439%0.087CC..Hα-helixtrans-56-42.5173.8-77.1179175.7-173.60111.8I214 E215 S217 L219 V300 Q301 I307 I308I214-K304 HydrophobicContact CG2-CB 4.19Å; I214-K304 HydrophobicContact CG2-CG 4.18Å; I214-K304 WeakPolarHBondContact O-CD 3.35Å; I214-K304 VanDerWaalsContact O-CE 3.26Å; I214-K304 WeakPolarHBondContact O-CE 3.25Å; E215-K304 PolarHBondContact O-NZ 3.28Å; S217-K304 VanDerWaalsContact O-CE 3.24Å; S217-K304 WeakPolarHBondContact O-CE 3.23Å; S217-K304 PolarHBondContact O-NZ 3.4Å; S217-K304 WeakPolarHBondContact OG-CE 3.32Å; L219-K304 HydrophobicContact CD1-CD 4.47Å; L219-K304 HydrophobicContact CD1-CG 4.11Å; L219-K304 HydrophobicContact CD2-CG 4.4Å; V300-K304 HydrophobicContact CG1-CD 4.04Å; V300-K304 WeakPolarHBondContact O-CB 3.32Å; V300-K304 WeakPolarHBondContact O-CG 3.19Å; V300-K304 PolarHBondContact O-N 3.4Å; Q301-K304 PolarHBondContact O-N 2.77Å; K304-I307 PolarHBondContact O-N 3.09Å; K304-I308 WeakPolarHBondContact O-CD1 3.48Å; K304-I308 VanDerWaalsContact O-CG1 3.26Å; K304-I308 WeakPolarHBondContact O-CG1 3.4Å; K304-I308 PolarHBondContact O-N 3.44Å
305R96.1Very high94.7Very high38 Ų3818.6 Ų18.614%0.1439%0.087CC..Hα-helixtrans-66-41.1177.1-71.8169.1178-171.9-9.7112.5W124 E130 Q301 L303 I307 I308 N309W124-R305 HydrophobicContact CD2-CG 3.83Å; W124-R305 HydrophobicContact CE3-CG 4.24Å; W124-R305 HydrophobicContact CG-CG 4.15Å; W124-R305 HydrophobicContact CZ2-CB 4.48Å; W124-R305 HydrophobicContact CZ2-CG 4.12Å; E130-R305 IonicContact OE1-CZ 2.83Å; E130-R305 IonicContact OE1-NH1 3.87Å; E130-R305 IonicContact OE1-NH2 2.85Å; E130-R305 PolarHBondContact OE1-NH2 2.7Å; E130-R305 IonicContact OE2-CZ 3.99Å; E130-R305 IonicContact OE2-NH1 3.93Å; E130-R305 PolarHBondContact OE2-NH1 2.94Å; E130-R305 IonicContact OE2-NH2 3.88Å; E130-R305 PolarHBondContact OE2-NH2 2.86Å; Q301-R305 WeakPolarHBondContact O-CB 3.4Å; Q301-R305 WeakPolarHBondContact O-CD 3.42Å; Q301-R305 VanDerWaalsContact O-CG 3.23Å; Q301-R305 WeakPolarHBondContact O-CG 3.36Å; Q301-R305 PolarHBondContact O-N 2.8Å; L303-R305 VanDerWaalsContact C-N 3.26Å; L303-R305 PolarHBondContact O-N 2.91Å; R305-I307 VanDerWaalsContact C-N 3.32Å; R305-I307 PolarHBondContact O-N 3.08Å; R305-I308 PolarHBondContact O-N 3.41Å; R305-N309 VanDerWaalsContact O-CB 3.27Å; R305-N309 WeakPolarHBondContact O-CB 3.31Å; R305-N309 PolarHBondContact O-N 2.82Å; R305-N309 PolarHBondContact O-ND2 3.12Å
306D97.5Very high94.7Very high1 Ų116.3 Ų16.31%0.0058%0.078CC..Hα-helixtrans-60.6-43.6175.1-166.870.6000111.7P83 G84 C285 R286 A302 L303 I308 N309 T310 R343P83-D306 VanDerWaalsContact CA-OD1 3.31Å; P83-D306 WeakPolarHBondContact CA-OD1 3.35Å; G84-D306 PolarHBondContact N-OD1 3.28Å; C285-D306 WeakPolarHBondContact CA-OD2 3.33Å; C285-D306 WeakPolarHBondContact CB-OD2 3.49Å; R286-D306 PolarHBondContact N-OD2 2.83Å; A302-D306 PolarHBondContact O-N 2.87Å; A302-D306 VanDerWaalsContact O-N 3.07Å; L303-D306 WeakPolarHBondContact O-CB 3.26Å; L303-D306 PolarHBondContact O-N 3.44Å; L303-D306 VanDerWaalsContact O-N 3.16Å; D306-I308 PolarHBondContact O-N 3.36Å; D306-N309 PolarHBondContact O-N 2.67Å; D306-T310 WeakPolarHBondContact O-CB 3.49Å; D306-T310 PolarHBondContact O-N 3.28Å; D306-T310 PolarHBondContact O-OG1 3.32Å; D306-R343 IonicContact OD1-CZ 2.64Å; D306-R343 IonicContact OD1-NH1 3.49Å; D306-R343 PolarHBondContact OD1-NH1 2.84Å; D306-R343 IonicContact OD1-NH2 3.73Å; D306-R343 PolarHBondContact OD1-NH2 3.45Å; D306-R343 IonicContact OD2-CZ 2.77Å; D306-R343 IonicContact OD2-NH1 2.87Å; D306-R343 PolarHBondContact OD2-NH1 2.72Å; D306-R343 IonicContact OD2-NH2 3.2Å
307I96.7Very high94.6Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-58.3-48.6176.1-65.7159.4000111V182 W210 I214 V254 C285 L303 K304 R305 L311V182-I307 HydrophobicContact CB-CG2 4.46Å; V182-I307 HydrophobicContact CG1-CG2 4.36Å; V182-I307 HydrophobicContact CG2-CD1 3.77Å; V182-I307 HydrophobicContact CG2-CG1 3.83Å; V182-I307 HydrophobicContact CG2-CG2 4.07Å; W210-I307 HydrophobicContact CH2-CG2 3.58Å; W210-I307 HydrophobicContact CZ2-CG2 4.03Å; I214-I307 HydrophobicContact CD1-CG2 4.17Å; I214-I307 HydrophobicContact CG1-CG2 4.19Å; I214-I307 HydrophobicContact CG2-CB 4.23Å; I214-I307 HydrophobicContact CG2-CD1 4.45Å; I214-I307 HydrophobicContact CG2-CG2 3.99Å; V254-I307 HydrophobicContact CG2-CD1 3.72Å; C285-I307 HydrophobicContact CB-CG1 3.7Å; L303-I307 HydrophobicContact CG-CD1 4.31Å; L303-I307 WeakPolarHBondContact O-CD1 3.27Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.47Å; L303-I307 PolarHBondContact O-N 3.33Å; K304-I307 PolarHBondContact O-N 3.09Å; R305-I307 VanDerWaalsContact C-N 3.32Å; R305-I307 PolarHBondContact O-N 3.08Å; I307-L311 PolarHBondContact O-N 3.37Å
308I97.1Very high94.4Very high1 Ų115.3 Ų15.31%0.0058%0.075CC..Hα-helixtrans-65.3-49.3-178.8-66.7164.4000110.9L123 W124 I214 E215 K304 R305 D306 S312L123-I308 HydrophobicContact CB-CG2 3.73Å; W124-I308 HydrophobicContact CB-CD1 4.26Å; I214-I308 HydrophobicContact CB-CD1 4.24Å; I214-I308 HydrophobicContact CB-CG1 4.04Å; I214-I308 HydrophobicContact CG2-CD1 4.11Å; I214-I308 HydrophobicContact CG2-CG1 3.91Å; E215-I308 HydrophobicContact CG-CD1 3.97Å; K304-I308 WeakPolarHBondContact O-CD1 3.48Å; K304-I308 VanDerWaalsContact O-CG1 3.26Å; K304-I308 WeakPolarHBondContact O-CG1 3.4Å; K304-I308 PolarHBondContact O-N 3.44Å; R305-I308 PolarHBondContact O-N 3.41Å; D306-I308 PolarHBondContact O-N 3.36Å; I308-S312 WeakPolarHBondContact O-CB 3.21Å; I308-S312 PolarHBondContact O-N 3.04Å; I308-S312 VanDerWaalsContact O-N 3.08Å
309N96.3Very high94Very high34 Ų3414.3 Ų14.318%0.1827%0.07CC..Hα-helixtrans-63.7-44.8-179-68.8-11000110.9W124 R305 D306 L311 S312 D313W124-N309 PolarHBondContact NE1-OD1 2.99Å; R305-N309 VanDerWaalsContact O-CB 3.27Å; R305-N309 WeakPolarHBondContact O-CB 3.31Å; R305-N309 PolarHBondContact O-N 2.82Å; R305-N309 PolarHBondContact O-ND2 3.12Å; D306-N309 PolarHBondContact O-N 2.67Å; N309-L311 VanDerWaalsContact C-N 3.32Å; N309-L311 PolarHBondContact O-N 3.09Å; N309-S312 PolarHBondContact O-N 3.43Å; N309-S312 VanDerWaalsContact O-N 3.12Å; N309-D313 WeakPolarHBondContact O-CB 3.11Å; N309-D313 PolarHBondContact O-N 3.42Å
310T95.6Very high93.7Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-54.1-48-179.1-62.80000111.7V283 D306 R314 R343 Y358V283-T310 HydrophobicContact CB-CG2 4.42Å; D306-T310 WeakPolarHBondContact O-CB 3.49Å; D306-T310 PolarHBondContact O-N 3.28Å; D306-T310 PolarHBondContact O-OG1 3.32Å; T310-R314 WeakPolarHBondContact O-CB 3.43Å; T310-R314 VanDerWaalsContact O-CD 3.24Å; T310-R314 WeakPolarHBondContact O-CD 3.33Å; T310-R314 WeakPolarHBondContact O-CG 3.18Å; T310-R314 PolarHBondContact O-N 2.74Å; T310-R343 PolarHBondContact OG1-NH1 3.38Å; T310-Y358 HydrophobicContact CG2-CE1 4.46Å
311L94.8Very high93.3Very high1 Ų119.3 Ų19.31%0.0059%0.093CC..Hα-helixtrans-73.7-37.8-179.8-171.461.1000112V184 I186 L207 W210 I307 N309 C315 L340V184-L311 HydrophobicContact CG1-CD1 4.33Å; V184-L311 HydrophobicContact CG1-CD2 3.68Å; V184-L311 HydrophobicContact CG2-CD2 4.19Å; I186-L311 HydrophobicContact CD1-CD2 3.47Å; I186-L311 VanDerWaalsContact CD1-CD2 3.47Å; L207-L311 HydrophobicContact CD2-CD2 3.69Å; L207-L311 HydrophobicContact CD2-CG 3.89Å; W210-L311 HydrophobicContact CD2-CD2 4.23Å; W210-L311 HydrophobicContact CE3-CD2 3.86Å; W210-L311 HydrophobicContact CH2-CB 3.97Å; W210-L311 HydrophobicContact CH2-CD2 3.61Å; W210-L311 HydrophobicContact CH2-CG 4.46Å; W210-L311 HydrophobicContact CZ2-CD2 4.03Å; W210-L311 HydrophobicContact CZ3-CB 3.84Å; W210-L311 HydrophobicContact CZ3-CD2 3.53Å; W210-L311 HydrophobicContact CZ3-CG 4.29Å; I307-L311 PolarHBondContact O-N 3.37Å; N309-L311 VanDerWaalsContact C-N 3.32Å; N309-L311 PolarHBondContact O-N 3.09Å; L311-C315 PolarHBondContact O-N 3.06Å; L311-C315 PolarHBondContact O-SG 3.26Å; L311-L340 HydrophobicContact CD1-CD1 3.94Å
312S94.9Very high92.6Very high4 Ų417.4 Ų17.43%0.0289%0.085CC..Hα-helixtrans-62.6-51.7178.1-167.90000111.9L123 I308 N309 R314 C315 E316L123-S312 WeakPolarHBondContact CD1-OG 3.42Å; I308-S312 WeakPolarHBondContact O-CB 3.21Å; I308-S312 PolarHBondContact O-N 3.04Å; I308-S312 VanDerWaalsContact O-N 3.08Å; N309-S312 PolarHBondContact O-N 3.43Å; N309-S312 VanDerWaalsContact O-N 3.12Å; S312-R314 VanDerWaalsContact C-N 3.33Å; S312-R314 PolarHBondContact O-N 3.33Å; S312-C315 PolarHBondContact O-N 3.21Å; S312-C315 VanDerWaalsContact O-N 3.16Å; S312-E316 PolarHBondContact O-N 3.11Å
313D94.8Very high91.9Very high14 Ų1421.5 Ų21.58%0.07511%0.105CC..Hα-helixtrans-61.2-42.4-177.8-67.9-27.7000110.9N309 C315 E316 I317 Y358N309-D313 WeakPolarHBondContact O-CB 3.11Å; N309-D313 PolarHBondContact O-N 3.42Å; D313-C315 VanDerWaalsContact C-N 3.32Å; D313-C315 PolarHBondContact O-N 3.15Å; D313-E316 PolarHBondContact O-N 2.96Å; D313-I317 WeakPolarHBondContact O-CB 3.36Å; D313-I317 WeakPolarHBondContact O-CD1 3.24Å; D313-I317 WeakPolarHBondContact O-CG1 3.35Å; D313-I317 PolarHBondContact O-N 2.69Å; D313-Y358 HydrophobicContact CB-CE2 3.96Å
314R93.2Very high91.1Very high2 Ų227.8 Ų27.81%0.00814%0.137CC..Hα-helixtrans-62.7-38.2177-70.817275.6162.416.7113.1T310 S312 L318 L340 P341 Y358 E390 N392T310-R314 WeakPolarHBondContact O-CB 3.43Å; T310-R314 VanDerWaalsContact O-CD 3.24Å; T310-R314 WeakPolarHBondContact O-CD 3.33Å; T310-R314 WeakPolarHBondContact O-CG 3.18Å; T310-R314 PolarHBondContact O-N 2.74Å; S312-R314 VanDerWaalsContact C-N 3.33Å; S312-R314 PolarHBondContact O-N 3.33Å; R314-L318 WeakPolarHBondContact O-CB 3.3Å; R314-L318 PolarHBondContact O-N 2.99Å; R314-L318 VanDerWaalsContact O-N 3.11Å; R314-L340 HydrophobicContact CB-CB 4.25Å; R314-L340 HydrophobicContact CB-CD1 4.25Å; R314-L340 HydrophobicContact CB-CD2 4.3Å; R314-L340 PolarHBondContact NH2-O 2.83Å; R314-P341 PolarHBondContact NE-O 2.88Å; R314-P341 PolarHBondContact NH2-O 3.41Å; R314-Y358 HydrophobicContact CG-CD1 3.56Å; R314-Y358 HydrophobicContact CG-CE1 3.5Å; R314-E390 IonicContact CZ-OE2 3.9Å; R314-E390 IonicContact NH1-OE2 3.85Å; R314-E390 PolarHBondContact NH1-OE2 3.34Å; R314-E390 IonicContact NH2-OE2 2.9Å; R314-N392 PolarHBondContact NH1-ND2 3.4Å; R314-N392 PolarHBondContact NH2-ND2 3.07Å
315C91.8Very high90.2Very high3 Ų331.5 Ų31.52%0.0216%0.159CC..Hα-helixtrans-69.2-44175.3-65.50000110.7T203 L207 L311 S312 D313 L318 F319T203-C315 HydrophobicContact CG2-CB 4.29Å; L207-C315 HydrophobicContact CD1-CB 4.07Å; L311-C315 PolarHBondContact O-N 3.06Å; L311-C315 PolarHBondContact O-SG 3.26Å; S312-C315 PolarHBondContact O-N 3.21Å; S312-C315 VanDerWaalsContact O-N 3.16Å; D313-C315 VanDerWaalsContact C-N 3.32Å; D313-C315 PolarHBondContact O-N 3.15Å; C315-L318 PolarHBondContact O-N 3.22Å; C315-F319 HydrophobicContact CB-CE2 4Å; C315-F319 WeakPolarHBondContact O-CD2 3.29Å; C315-F319 WeakPolarHBondContact O-CE2 3.39Å; C315-F319 WeakPolarHBondContact O-CG 3.49Å; C315-F319 PolarHBondContact O-N 2.82Å
316E90.6Very high89Confident24 Ų2432.7 Ų32.711%0.11217%0.166CC..Hα-helixtrans-60.4-47176.7-72.9-172.3177.600111.8R80 R121 S312 D313 L318 F319 E320R80-E316 IonicContact CZ-OE2 3.56Å; R80-E316 IonicContact NE-OE2 2.7Å; R80-E316 IonicContact NH2-OE2 3.28Å; R80-E316 PolarHBondContact NH2-OE2 2.5Å; R121-E316 VanDerWaalsContact CD-OE2 3.24Å; R121-E316 WeakPolarHBondContact CD-OE2 2.91Å; S312-E316 PolarHBondContact O-N 3.11Å; D313-E316 PolarHBondContact O-N 2.96Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 2.84Å; E316-F319 PolarHBondContact O-N 3.44Å; E316-F319 VanDerWaalsContact O-N 3.11Å; E316-E320 WeakPolarHBondContact O-CB 3.25Å; E316-E320 WeakPolarHBondContact O-CG 3.33Å; E316-E320 PolarHBondContact O-N 3.42Å
317I90.9Very high87.1Confident31 Ų3134.4 Ų34.416%0.15918%0.184CC..Hα-helixtrans-60.6-43.1177.8-67.8164.2000110.7D313 E320 D321 P341 Y358 F360D313-I317 WeakPolarHBondContact O-CB 3.36Å; D313-I317 WeakPolarHBondContact O-CD1 3.24Å; D313-I317 WeakPolarHBondContact O-CG1 3.35Å; D313-I317 PolarHBondContact O-N 2.69Å; I317-E320 PolarHBondContact O-N 3.37Å; I317-D321 WeakPolarHBondContact O-CB 3.17Å; I317-D321 PolarHBondContact O-N 3.45Å; I317-P341 HydrophobicContact CB-CG 4.11Å; I317-P341 HydrophobicContact CG2-CB 4.4Å; I317-P341 HydrophobicContact CG2-CG 3.64Å; I317-Y358 HydrophobicContact CD1-CD2 3.52Å; I317-Y358 HydrophobicContact CD1-CE2 4.31Å; I317-Y358 HydrophobicContact CD1-CG 3.75Å; I317-F360 HydrophobicContact CG2-CE2 3.74Å; I317-F360 HydrophobicContact CG2-CZ 3.77Å
318L88.4Confident85Confident10 Ų1041.8 Ų41.85%0.05222%0.223CC..Hα-helixtrans-59.2-49173.4179.265.9000110.3R314 C315 E316 E320 D321 L322 R338 L340 F360 V394R314-L318 WeakPolarHBondContact O-CB 3.3Å; R314-L318 PolarHBondContact O-N 2.99Å; R314-L318 VanDerWaalsContact O-N 3.11Å; C315-L318 PolarHBondContact O-N 3.22Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 2.84Å; L318-E320 PolarHBondContact O-N 3.35Å; L318-D321 WeakPolarHBondContact O-CB 3.48Å; L318-D321 PolarHBondContact O-N 2.83Å; L318-L322 HydrophobicContact CD1-CD1 4.21Å; L318-L322 HydrophobicContact CD1-CD2 4.37Å; L318-L322 HydrophobicContact CD1-CG 4.23Å; L318-L322 HydrophobicContact CG-CD1 3.9Å; L318-L322 HydrophobicContact CG-CG 4.35Å; L318-L322 WeakPolarHBondContact O-CG 3.1Å; L318-L322 PolarHBondContact O-N 3.4Å; L318-R338 HydrophobicContact CD2-CB 4.26Å; L318-L340 HydrophobicContact CB-CD2 4.27Å; L318-L340 HydrophobicContact CD2-CD2 3.89Å; L318-F360 HydrophobicContact CD1-CE1 4.23Å; L318-V394 HydrophobicContact CD2-CG2 4.25Å
319F85.1Confident82.6Confident23 Ų2348.4 Ų48.410%0.10126%0.258CS..Hα-helixtrans-64.2-38.6-179.8-62.6-48.5000113.5L199 E200 T203 C315 E316 D321 L322 I323L199-F319 HydrophobicContact CD2-CD1 4.13Å; L199-F319 HydrophobicContact CD2-CE1 3.54Å; L199-F319 HydrophobicContact CG-CE1 3.7Å; L199-F319 HydrophobicContact CG-CZ 4.25Å; E200-F319 HydrophobicContact CB-CD2 4.3Å; E200-F319 HydrophobicContact CB-CG 4.45Å; E200-F319 HydrophobicContact CG-CD2 4.01Å; E200-F319 HydrophobicContact CG-CG 4.43Å; T203-F319 HydrophobicContact CG2-CE2 3.73Å; T203-F319 HydrophobicContact CG2-CZ 3.79Å; T203-F319 VanDerWaalsContact OG1-CZ 3.27Å; T203-F319 WeakPolarHBondContact OG1-CZ 3.33Å; C315-F319 HydrophobicContact CB-CE2 4Å; C315-F319 WeakPolarHBondContact O-CD2 3.29Å; C315-F319 WeakPolarHBondContact O-CE2 3.39Å; C315-F319 WeakPolarHBondContact O-CG 3.49Å; C315-F319 PolarHBondContact O-N 2.82Å; E316-F319 PolarHBondContact O-N 3.44Å; E316-F319 VanDerWaalsContact O-N 3.11Å; F319-D321 VanDerWaalsContact C-N 3.33Å; F319-L322 HydrophobicContact CD1-CD1 4.15Å; F319-L322 PolarHBondContact O-N 2.92Å; F319-I323 WeakPolarHBondContact O-CD1 3.16Å; F319-I323 VanDerWaalsContact O-CG1 3.23Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.11Å
320E86.6Confident80.3Confident76 Ų7653.5 Ų53.536%0.35528%0.279SS..Hα-helixtrans-57.2-47.8173.2-73.5168.5-172.200110.5R80 E316 I317 L318 L322 I323 I324R80-E320 IonicContact CZ-OE1 3.21Å; R80-E320 IonicContact CZ-OE2 3.14Å; R80-E320 IonicContact NH1-OE1 2.7Å; R80-E320 PolarHBondContact NH1-OE1 2.83Å; R80-E320 VanDerWaalsContact NH1-OE1 3.14Å; R80-E320 IonicContact NH1-OE2 2.74Å; R80-E320 PolarHBondContact NH1-OE2 2.89Å; R80-E320 IonicContact NH2-OE1 2.63Å; R80-E320 PolarHBondContact NH2-OE1 2.9Å; R80-E320 IonicContact NH2-OE2 2.76Å; E316-E320 WeakPolarHBondContact O-CB 3.25Å; E316-E320 WeakPolarHBondContact O-CG 3.33Å; E316-E320 PolarHBondContact O-N 3.42Å; I317-E320 PolarHBondContact O-N 3.37Å; L318-E320 PolarHBondContact O-N 3.35Å; E320-L322 PolarHBondContact O-N 2.76Å; E320-I323 PolarHBondContact O-N 2.98Å; E320-I324 WeakPolarHBondContact O-CD1 3.45Å; E320-I324 VanDerWaalsContact O-CG1 3.27Å; E320-I324 WeakPolarHBondContact O-CG1 3.41Å; E320-I324 PolarHBondContact O-N 3.42Å; E320-I324 VanDerWaalsContact O-N 3.12Å
321D85.2Confident77.9Confident46 Ų4661.7 Ų61.725%0.24632%0.315CS..Hα-helixtrans-60-45.3177.1-177.379.5000112.6I317 L318 F319 I323 I324 N325 F360I317-D321 WeakPolarHBondContact O-CB 3.17Å; I317-D321 PolarHBondContact O-N 3.45Å; L318-D321 WeakPolarHBondContact O-CB 3.48Å; L318-D321 PolarHBondContact O-N 2.83Å; F319-D321 VanDerWaalsContact C-N 3.33Å; D321-I323 VanDerWaalsContact C-N 3.32Å; D321-I323 PolarHBondContact O-N 3.19Å; D321-I324 PolarHBondContact O-N 3.16Å; D321-I324 VanDerWaalsContact O-N 3.16Å; D321-N325 VanDerWaalsContact CG-ND2 3.28Å; D321-N325 WeakPolarHBondContact O-CB 3.44Å; D321-N325 PolarHBondContact O-N 3.21Å; D321-N325 PolarHBondContact OD1-ND2 3.24Å; D321-N325 PolarHBondContact OD2-ND2 2.74Å; D321-F360 HydrophobicContact CB-CE1 4.44Å; D321-F360 HydrophobicContact CB-CE2 4.08Å; D321-F360 HydrophobicContact CB-CZ 3.59Å
322L81.8Confident75.4Confident19 Ų1968.3 Ų68.310%0.09935%0.35CS..Hα-helixtrans-64.4-37.3-180-62.9171.5000112.6L318 F319 E320 I324 E326 G327 R338L318-L322 HydrophobicContact CD1-CD1 4.21Å; L318-L322 HydrophobicContact CD1-CD2 4.37Å; L318-L322 HydrophobicContact CD1-CG 4.23Å; L318-L322 HydrophobicContact CG-CD1 3.9Å; L318-L322 HydrophobicContact CG-CG 4.35Å; L318-L322 WeakPolarHBondContact O-CG 3.1Å; L318-L322 PolarHBondContact O-N 3.4Å; F319-L322 HydrophobicContact CD1-CD1 4.15Å; F319-L322 PolarHBondContact O-N 2.92Å; E320-L322 PolarHBondContact O-N 2.76Å; L322-I324 VanDerWaalsContact C-N 3.34Å; L322-E326 HydrophobicContact CD2-CG 4.3Å; L322-E326 WeakPolarHBondContact O-CB 3.34Å; L322-E326 PolarHBondContact O-N 3.14Å; L322-G327 PolarHBondContact O-N 3.05Å; L322-R338 VanDerWaalsContact CG-NH1 3.26Å
323I79.8Confident73.3Confident91 Ų9171.7 Ų71.747%0.46736%0.364SS..Hα-helixtrans-65-41.9175.6-69.5164000110.3F319 E320 D321F319-I323 WeakPolarHBondContact O-CD1 3.16Å; F319-I323 VanDerWaalsContact O-CG1 3.23Å; F319-I323 WeakPolarHBondContact O-CG1 3.48Å; F319-I323 PolarHBondContact O-N 3.11Å; E320-I323 PolarHBondContact O-N 2.98Å; D321-I323 VanDerWaalsContact C-N 3.32Å; D321-I323 PolarHBondContact O-N 3.19Å
324I80.5Confident71.1Confident132 Ų13278.7 Ų78.768%0.67740%0.396SS*.Hα-helixtrans-73-46.3-177.3-66.1165.2000111.3E320 D321 L322E320-I324 WeakPolarHBondContact O-CD1 3.45Å; E320-I324 VanDerWaalsContact O-CG1 3.27Å; E320-I324 WeakPolarHBondContact O-CG1 3.41Å; E320-I324 PolarHBondContact O-N 3.42Å; E320-I324 VanDerWaalsContact O-N 3.12Å; D321-I324 PolarHBondContact O-N 3.16Å; D321-I324 VanDerWaalsContact O-N 3.16Å; L322-I324 VanDerWaalsContact C-N 3.34Å
325N76.8Confident69.2Low111 Ų11187.9 Ų87.959%0.59443%0.431SS*.Hα-helixtrans-95.2-33.7-168.2-69.5-33.4000114.5D321D321-N325 VanDerWaalsContact CG-ND2 3.28Å; D321-N325 WeakPolarHBondContact O-CB 3.44Å; D321-N325 PolarHBondContact O-N 3.21Å; D321-N325 PolarHBondContact OD1-ND2 3.24Å; D321-N325 PolarHBondContact OD2-ND2 2.74Å
326E71Confident67.9Low63 Ų6391.2 Ų91.229%0.29445%0.446SS..THydrogen-bonded Turntrans-102.4-16.9-174.1-63.3-175.6170.100114L322 R338L322-E326 HydrophobicContact CD2-CG 4.3Å; L322-E326 WeakPolarHBondContact O-CB 3.34Å; L322-E326 PolarHBondContact O-N 3.14Å; E326-R338 IonicContact OE1-CZ 3.62Å; E326-R338 IonicContact OE1-NH1 3.89Å; E326-R338 IonicContact OE1-NH2 3.75Å; E326-R338 PolarHBondContact OE1-NH2 2.84Å; E326-R338 IonicContact OE2-CZ 3.27Å; E326-R338 VanDerWaalsContact OE2-CZ 3.27Å; E326-R338 IonicContact OE2-NH1 3.08Å; E326-R338 PolarHBondContact OE2-NH1 3.25Å; E326-R338 VanDerWaalsContact OE2-NH1 3.08Å; E326-R338 IonicContact OE2-NH2 3.71Å; E326-R338 PolarHBondContact OE2-NH2 3.41Å
327G57.8Low66.7Low38 Ų3893.4 Ų93.439%0.39246%0.464SS..  trans68.6155.3-175.600000113.1L322 D329L322-G327 PolarHBondContact O-N 3.05Å; G327-D329 PolarHBondContact O-N 3.36Å
328L51.8Low66.2Low155 Ų15593.2 Ų93.281%0.81246%0.461SS*.THydrogen-bonded Turntrans-63.9-12.1-174.3-130.797.8000114.7
329D48.2Very low66.1Low140 Ų14096.8 Ų96.875%0.74948%0.483SS*.THydrogen-bonded Turntrans-101.6-3.6-161-78.7-36.6000115.9G327 K331G327-D329 PolarHBondContact O-N 3.36Å; D329-K331 PolarHBondContact O-N 3.11Å
330K47.4Very low66.2Low140 Ų14095.9 Ų95.961%0.60948%0.479SS*.  trans-78.177.3171.8-70.5-172.8-174.9172.40110.4N332K330-N332 PolarHBondContact O-N 3.35Å
331K44.8Very low66.5Low173 Ų17392.4 Ų92.475%0.75246%0.463SS*.  trans-65.3-2.5175.2-67.5-178.5-179.6175.60114.5D329 F333D329-K331 PolarHBondContact O-N 3.11Å; K331-F333 PolarHBondContact O-N 3.44Å
332N42.4Very low66.8Low140 Ų14093 Ų9375%0.74946%0.464SS*.  trans-99.174179.4-68.3-11000109.8K330 Q334K330-N332 PolarHBondContact O-N 3.35Å; N332-Q334 PolarHBondContact O-N 2.81Å
333F51Low67.4Low75 Ų7592.1 Ų92.133%0.32946%0.46SS..  trans-72.567.5162.8-60.6-77.5000108.5K331 I396 P398K331-F333 PolarHBondContact O-N 3.44Å; F333-I396 HydrophobicContact CB-CG2 4.3Å; F333-I396 HydrophobicContact CD1-CD1 4.36Å; F333-P398 WeakPolarHBondContact O-CD 3.13Å; F333-P398 WeakPolarHBondContact O-CG 3.42Å
334Q48.7Very low68.1Low160 Ų16087.8 Ų87.875%0.74844%0.438SS*.  trans-55150.2162.5-160.7165.619.500107.2N332 E336N332-Q334 PolarHBondContact O-N 2.81Å; Q334-E336 VanDerWaalsContact C-N 3.35Å; Q334-E336 WeakPolarHBondContact O-CB 3.31Å; Q334-E336 VanDerWaalsContact O-CG 3.28Å; Q334-E336 WeakPolarHBondContact O-CG 3.5Å; Q334-E336 PolarHBondContact O-N 2.92Å
335R52.2Low68.8Low195 Ų19581.8 Ų81.874%0.73641%0.407SS*.SBendtrans-4694.1-172.5-174.8-174.3-73.9-175.6-2.2111.6
336E64.7Low69.6Low73 Ų7376.5 Ų76.534%0.34138%0.379SS..EExtended strand (participates in β ladder)trans-111.6118.9-173.6-88.8179.6-153.200108.4Q334 R338 I396Q334-E336 VanDerWaalsContact C-N 3.35Å; Q334-E336 WeakPolarHBondContact O-CB 3.31Å; Q334-E336 VanDerWaalsContact O-CG 3.28Å; Q334-E336 WeakPolarHBondContact O-CG 3.5Å; Q334-E336 PolarHBondContact O-N 2.92Å; E336-R338 IonicContact OE2-CZ 3.19Å; E336-R338 IonicContact OE2-NE 3.01Å; E336-R338 PolarHBondContact OE2-NE 3.37Å; E336-R338 IonicContact OE2-NH2 3.5Å; E336-R338 PolarHBondContact OE2-NH2 2.72Å; E336-I396 PolarHBondContact O-N 3.19Å
337C66.8Low70.5Confident71 Ų7175.2 Ų75.248%0.4838%0.376SS..EExtended strand (participates in β ladder)trans-87.6113.1168.5177.20000107.3H395C337-H395 PolarHBondContact SG-CE1 2.88Å
338R80.2Confident71.9Confident26 Ų2673.6 Ų73.610%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-106.5142.2175.7-60.5-171.2-178.7-178-8.5109.5L318 L322 E326 E336 T393 V394L318-R338 HydrophobicContact CD2-CB 4.26Å; L322-R338 VanDerWaalsContact CG-NH1 3.26Å; E326-R338 IonicContact OE1-CZ 3.62Å; E326-R338 IonicContact OE1-NH1 3.89Å; E326-R338 IonicContact OE1-NH2 3.75Å; E326-R338 PolarHBondContact OE1-NH2 2.84Å; E326-R338 IonicContact OE2-CZ 3.27Å; E326-R338 VanDerWaalsContact OE2-CZ 3.27Å; E326-R338 IonicContact OE2-NH1 3.08Å; E326-R338 PolarHBondContact OE2-NH1 3.25Å; E326-R338 VanDerWaalsContact OE2-NH1 3.08Å; E326-R338 IonicContact OE2-NH2 3.71Å; E326-R338 PolarHBondContact OE2-NH2 3.41Å; E336-R338 IonicContact OE2-CZ 3.19Å; E336-R338 IonicContact OE2-NE 3.01Å; E336-R338 PolarHBondContact OE2-NE 3.37Å; E336-R338 IonicContact OE2-NH2 3.5Å; E336-R338 PolarHBondContact OE2-NH2 2.72Å; R338-T393 CarbonylContact O-C 3.59Å; R338-T393 WeakPolarHBondContact O-CA 3.22Å; R338-V394 PolarHBondContact N-O 3.16Å; R338-V394 PolarHBondContact O-N 2.83Å
339V84.7Confident73.3Confident86 Ų8669.9 Ų69.952%0.52135%0.35SS..EExtended strand (participates in β ladder)trans-92.8133.4177.8-179.50000108.1
340L89.2Confident74.7Confident4 Ų466.9 Ų66.92%0.02135%0.352CS..  trans-75.2143.2175-72.2178.5000110.5L311 R314 L318 Q342 N392 V394L311-L340 HydrophobicContact CD1-CD1 3.94Å; R314-L340 HydrophobicContact CB-CB 4.25Å; R314-L340 HydrophobicContact CB-CD1 4.25Å; R314-L340 HydrophobicContact CB-CD2 4.3Å; R314-L340 PolarHBondContact NH2-O 2.83Å; L318-L340 HydrophobicContact CB-CD2 4.27Å; L318-L340 HydrophobicContact CD2-CD2 3.89Å; L340-Q342 PolarHBondContact O-N 3.16Å; L340-N392 HydrophobicContact CB-CB 4.37Å; L340-N392 HydrophobicContact CD1-CB 4.37Å; L340-N392 PolarHBondContact N-O 3.09Å; L340-V394 HydrophobicContact CD1-CG2 4.04Å; L340-V394 HydrophobicContact CD2-CG2 3.44Å; L340-V394 VanDerWaalsContact CD2-CG2 3.44Å; L340-V394 HydrophobicContact CG-CG2 3.56Å
341P91.8Very high76.4Confident2 Ų261.2 Ų61.21%0.01333%0.33CS..  trans-45131.5173.9-27.531.3000111.9R314 I317 K359 F360R314-P341 PolarHBondContact NE-O 2.88Å; R314-P341 PolarHBondContact NH2-O 3.41Å; I317-P341 HydrophobicContact CB-CG 4.11Å; I317-P341 HydrophobicContact CG2-CB 4.4Å; I317-P341 HydrophobicContact CG2-CG 3.64Å; P341-K359 CarbonylContact C-O 3.45Å; P341-K359 VanDerWaalsContact CA-O 3.3Å; P341-K359 WeakPolarHBondContact CA-O 3.41Å; P341-F360 HydrophobicContact CG-CD1 4.02Å; P341-F360 HydrophobicContact CG-CE1 3.56Å; P341-F360 HydrophobicContact CG-CE2 4.22Å; P341-F360 HydrophobicContact CG-CZ 3.67Å
342Q91.4Very high78.3Confident58 Ų5854.5 Ų54.527%0.27131%0.305SS..EExtended strand (participates in β ladder)trans-75.6134.4178.3-68.4-178.1-15.300110.2L340 Y358 K359L340-Q342 PolarHBondContact O-N 3.16Å; Q342-Y358 CarbonylContact O-C 3.54Å; Q342-Y358 WeakPolarHBondContact O-CA 3.32Å; Q342-K359 HydrophobicContact CB-CG 4.38Å; Q342-K359 PolarHBondContact N-O 2.83Å; Q342-K359 PolarHBondContact O-N 2.89Å
343R94.6Very high80.6Confident2 Ų247.9 Ų47.91%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-76.5141.7174.1-163.7176.2-171.4-167.14.6110D306 T310 F345 S356 D357 Y358 A388D306-R343 IonicContact OD1-CZ 2.64Å; D306-R343 IonicContact OD1-NH1 3.49Å; D306-R343 PolarHBondContact OD1-NH1 2.84Å; D306-R343 IonicContact OD1-NH2 3.73Å; D306-R343 PolarHBondContact OD1-NH2 3.45Å; D306-R343 IonicContact OD2-CZ 2.77Å; D306-R343 IonicContact OD2-NH1 2.87Å; D306-R343 PolarHBondContact OD2-NH1 2.72Å; D306-R343 IonicContact OD2-NH2 3.2Å; T310-R343 PolarHBondContact OG1-NH1 3.38Å; R343-F345 HydrophobicContact CG-CZ 4.36Å; R343-S356 PolarHBondContact NH2-OG 2.94Å; R343-D357 WeakPolarHBondContact CA-O 3.4Å; R343-Y358 HydrophobicContact CB-CD1 4Å; R343-Y358 HydrophobicContact CB-CE1 3.87Å; R343-Y358 HydrophobicContact CG-CD1 4.11Å; R343-Y358 HydrophobicContact CG-CE1 3.7Å; R343-A388 HydrophobicContact CB-CB 4.31Å; R343-A388 VanDerWaalsContact O-CB 3.22Å; R343-A388 WeakPolarHBondContact O-CB 3.5Å; R343-A388 PolarHBondContact O-N 2.81Å
344L94.5Very high82.7Confident0 Ų045.1 Ų45.10%026%0.258CS..EExtended strand (participates in β ladder)trans-130.8163172.765.981.2000110.5V346 S356 D357 K359 I368 F372 I385 Q386L344-V346 HydrophobicContact CD1-CG2 3.87Å; L344-S356 CarbonylContact O-C 3.5Å; L344-S356 WeakPolarHBondContact O-CA 3.47Å; L344-S356 WeakPolarHBondContact O-CB 3.45Å; L344-D357 HydrophobicContact CD1-CB 3.69Å; L344-D357 HydrophobicContact CG-CB 4.03Å; L344-D357 PolarHBondContact N-O 2.98Å; L344-D357 PolarHBondContact O-N 3.44Å; L344-K359 HydrophobicContact CD2-CB 4.18Å; L344-K359 HydrophobicContact CD2-CD 3.99Å; L344-K359 HydrophobicContact CD2-CG 4.06Å; L344-I368 HydrophobicContact CD1-CG2 4.06Å; L344-I368 HydrophobicContact CD2-CD1 4.05Å; L344-I368 HydrophobicContact CD2-CG1 4.04Å; L344-I368 HydrophobicContact CD2-CG2 3.71Å; L344-F372 HydrophobicContact CD1-CE2 4.04Å; L344-F372 HydrophobicContact CD1-CZ 4.29Å; L344-I385 HydrophobicContact CB-CG2 4.24Å; L344-I385 HydrophobicContact CD1-CG2 4.12Å; L344-I385 HydrophobicContact CD2-CG2 4.05Å; L344-I385 HydrophobicContact CG-CG2 4.37Å; L344-Q386 CarbonylContact C-O 3.55Å; L344-Q386 VanDerWaalsContact CA-O 3.26Å; L344-Q386 WeakPolarHBondContact CA-O 3.29Å
345F94.9Very high84.9Confident5 Ų537.5 Ų37.52%0.02222%0.222CC..EExtended strand (participates in β ladder)trans-129.3139.7179.7-64.3-80.6000111.1P83 R286 R343 M354 L355 Q386 A388P83-F345 HydrophobicContact CG-CD1 4.38Å; P83-F345 HydrophobicContact CG-CE1 4.04Å; R286-F345 HydrophobicContact CB-CE1 4.11Å; R286-F345 HydrophobicContact CB-CZ 4.06Å; R343-F345 HydrophobicContact CG-CZ 4.36Å; F345-M354 HydrophobicContact CB-CB 3.98Å; F345-M354 HydrophobicContact CB-CE 3.9Å; F345-M354 HydrophobicContact CD1-CB 4.34Å; F345-L355 CarbonylContact C-O 3.57Å; F345-L355 VanDerWaalsContact CA-O 3.25Å; F345-L355 WeakPolarHBondContact CA-O 3.38Å; F345-Q386 HydrophobicContact CB-CB 4.4Å; F345-Q386 PolarHBondContact N-O 2.93Å; F345-Q386 PolarHBondContact O-N 3Å; F345-A388 HydrophobicContact CE2-CB 4.08Å
346V93.7Very high87Confident1 Ų128.2 Ų28.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-129132.5178.9173.60000109.6L344 M354 L355 F372 V380 I385L344-V346 HydrophobicContact CD1-CG2 3.87Å; V346-M354 CarbonylContact O-C 3.59Å; V346-M354 WeakPolarHBondContact O-CA 3.4Å; V346-M354 WeakPolarHBondContact O-CB 3.46Å; V346-L355 PolarHBondContact N-O 2.82Å; V346-L355 PolarHBondContact O-N 2.92Å; V346-F372 HydrophobicContact CB-CD1 4.23Å; V346-F372 HydrophobicContact CB-CE1 3.55Å; V346-F372 HydrophobicContact CB-CE2 4.35Å; V346-F372 HydrophobicContact CB-CZ 3.62Å; V346-F372 HydrophobicContact CG1-CD1 4.11Å; V346-F372 HydrophobicContact CG1-CE1 3.91Å; V346-F372 HydrophobicContact CG1-CZ 4.37Å; V346-F372 HydrophobicContact CG2-CD1 4.4Å; V346-F372 HydrophobicContact CG2-CD2 4.3Å; V346-F372 HydrophobicContact CG2-CE1 3.8Å; V346-F372 HydrophobicContact CG2-CE2 3.66Å; V346-F372 HydrophobicContact CG2-CZ 3.39Å; V346-V380 HydrophobicContact CG1-CB 4.22Å; V346-V380 HydrophobicContact CG1-CG1 3.57Å; V346-V380 HydrophobicContact CG1-CG2 3.55Å; V346-V380 HydrophobicContact CG2-CG1 4.07Å; V346-I385 HydrophobicContact CG2-CG1 4.21Å
347P90.9Very high88.4Confident36 Ų3625.5 Ų25.523%0.23418%0.175CC..EExtended strand (participates in β ladder)trans-66141.7-17926.2-33.2000112.4M354 Q378 D384P347-M354 WeakPolarHBondContact CA-SD 3.28Å; P347-M354 HydrophobicContact CB-CE 4.31Å; P347-M354 HydrophobicContact CB-SD 3.56Å; P347-M354 VanDerWaalsContact CB-SD 3.56Å; P347-M354 HydrophobicContact CG-SD 4.36Å; P347-Q378 PolarHBondContact O-NE2 2.77Å; P347-D384 VanDerWaalsContact CD-O 3.31Å; P347-D384 WeakPolarHBondContact CD-O 3.4Å; P347-D384 HydrophobicContact CG-CB 3.9Å
348V86.9Confident89.7Confident3 Ų322.5 Ų22.52%0.01815%0.154CC..PPolyproline II helixtrans-83.3121.7164.9177.10000108G350 S351 V353 L355V348-G350 PolarHBondContact O-N 3.24Å; V348-S351 WeakPolarHBondContact O-CB 3.17Å; V348-S351 PolarHBondContact O-N 2.99Å; V348-V353 WeakPolarHBondContact CB-O 3.5Å; V348-V353 HydrophobicContact CG2-CG1 4.25Å; V348-V353 WeakPolarHBondContact CG2-O 3.18Å; V348-V353 PolarHBondContact N-O 3.34Å; V348-L355 HydrophobicContact CG2-CD1 3.9Å; V348-L355 HydrophobicContact CG2-CD2 4.07Å; V348-L355 HydrophobicContact CG2-CG 3.55Å
349A81.1Confident90.3Very high78 Ų7823 Ų2365%0.64516%0.156SC*.THydrogen-bonded Turntrans-51.7127.7178.800000111.7S351A349-S351 VanDerWaalsContact C-N 3.3Å; A349-S351 PolarHBondContact O-N 3.48Å
350G77.4Confident90.5Very high77 Ų7720.6 Ų20.679%0.79414%0.139SC*.THydrogen-bonded Turntrans77.56.5-179.300000115.5S172 V348S172-G350 WeakPolarHBondContact CB-O 3.45Å; V348-G350 PolarHBondContact O-N 3.24Å
351S83.6Confident90.3Very high20 Ų2028.5 Ų28.514%0.1418%0.176CC..SBendtrans-127.8154.5-177.9-167.90000112.5S172 V348 A349 V353S172-S351 WeakPolarHBondContact O-CA 3.25Å; S172-S351 PolarHBondContact O-OG 3.33Å; V348-S351 WeakPolarHBondContact O-CB 3.17Å; V348-S351 PolarHBondContact O-N 2.99Å; A349-S351 VanDerWaalsContact C-N 3.3Å; A349-S351 PolarHBondContact O-N 3.48Å; S351-V353 WeakPolarHBondContact OG-CB 3.49Å; S351-V353 PolarHBondContact OG-N 3.43Å; S351-V353 VanDerWaalsContact OG-N 3.14Å
352S84.1Confident90Very high33 Ų3335 Ų3523%0.23121%0.21CC..SBendtrans-80.2-6.4165.757.50000113S172S172-S352 PolarHBondContact O-N 3.39Å
353V91.2Very high89.9Confident0 Ų033.8 Ų33.80%021%0.205CC..  trans-75.2135.6175.2174.60000110.8I42 L86 W175 Y288 V348 S351I42-V353 HydrophobicContact CD1-CB 4.42Å; I42-V353 HydrophobicContact CD1-CG1 4.04Å; I42-V353 HydrophobicContact CD1-CG2 4.38Å; L86-V353 HydrophobicContact CD1-CG1 3.47Å; L86-V353 VanDerWaalsContact CD1-CG1 3.47Å; W175-V353 HydrophobicContact CB-CG2 4Å; W175-V353 HydrophobicContact CD2-CG2 3.51Å; W175-V353 HydrophobicContact CE3-CG2 4.01Å; W175-V353 HydrophobicContact CG-CG2 3.46Å; W175-V353 VanDerWaalsContact CG-CG2 3.46Å; Y288-V353 HydrophobicContact CD1-CB 4.5Å; Y288-V353 HydrophobicContact CD1-CG2 4.04Å; Y288-V353 HydrophobicContact CD2-CG1 4.16Å; Y288-V353 HydrophobicContact CE1-CG2 4.49Å; Y288-V353 HydrophobicContact CE2-CG1 4.17Å; Y288-V353 HydrophobicContact CG-CG1 4.4Å; Y288-V353 HydrophobicContact CG-CG2 4.15Å; V348-V353 WeakPolarHBondContact CB-O 3.5Å; V348-V353 HydrophobicContact CG2-CG1 4.25Å; V348-V353 WeakPolarHBondContact CG2-O 3.18Å; V348-V353 PolarHBondContact N-O 3.34Å; S351-V353 WeakPolarHBondContact OG-CB 3.49Å; S351-V353 PolarHBondContact OG-N 3.43Å; S351-V353 VanDerWaalsContact OG-N 3.14Å
354M93.5Very high89.7Confident17 Ų1736.3 Ų36.38%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-109.5138167.4-44.5-86.1-70.800109.1P83 Y288 F345 V346 P347 Q386P83-M354 WeakPolarHBondContact CG-O 3.47Å; Y288-M354 VanDerWaalsContact CE2-O 3.3Å; Y288-M354 WeakPolarHBondContact CE2-O 3.2Å; Y288-M354 VanDerWaalsContact CZ-N 3.33Å; Y288-M354 WeakPolarHBondContact OH-CA 3.44Å; Y288-M354 WeakPolarHBondContact OH-CB 3.44Å; Y288-M354 VanDerWaalsContact OH-CG 3.22Å; Y288-M354 WeakPolarHBondContact OH-CG 3.43Å; Y288-M354 PolarHBondContact OH-N 2.83Å; Y288-M354 PolarHBondContact OH-O 3.03Å; F345-M354 HydrophobicContact CB-CB 3.98Å; F345-M354 HydrophobicContact CB-CE 3.9Å; F345-M354 HydrophobicContact CD1-CB 4.34Å; V346-M354 CarbonylContact O-C 3.59Å; V346-M354 WeakPolarHBondContact O-CA 3.4Å; V346-M354 WeakPolarHBondContact O-CB 3.46Å; P347-M354 WeakPolarHBondContact CA-SD 3.28Å; P347-M354 HydrophobicContact CB-CE 4.31Å; P347-M354 HydrophobicContact CB-SD 3.56Å; P347-M354 VanDerWaalsContact CB-SD 3.56Å; P347-M354 HydrophobicContact CG-SD 4.36Å; M354-Q386 HydrophobicContact CE-CB 4.42Å; M354-Q386 HydrophobicContact CE-CG 4.04Å
355L95.1Very high89.5Confident1 Ų138.4 Ų38.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-85.8160.8166.3-58.1177.6000109.2L82 L86 F345 V346 V348 F372 L376L82-L355 HydrophobicContact CD2-CD2 3.82Å; L86-L355 HydrophobicContact CD1-CD2 4.36Å; F345-L355 CarbonylContact C-O 3.57Å; F345-L355 VanDerWaalsContact CA-O 3.25Å; F345-L355 WeakPolarHBondContact CA-O 3.38Å; V346-L355 PolarHBondContact N-O 2.82Å; V346-L355 PolarHBondContact O-N 2.92Å; V348-L355 HydrophobicContact CG2-CD1 3.9Å; V348-L355 HydrophobicContact CG2-CD2 4.07Å; V348-L355 HydrophobicContact CG2-CG 3.55Å; L355-F372 HydrophobicContact CB-CE1 4.17Å; L355-L376 HydrophobicContact CB-CD1 4.44Å; L355-L376 HydrophobicContact CD1-CD1 3.56Å; L355-L376 HydrophobicContact CD1-CD2 4.14Å; L355-L376 HydrophobicContact CD1-CG 4.4Å
356S95.9Very high89.3Confident0 Ų039.6 Ų39.60%026%0.257CS..EExtended strand (participates in β ladder)trans-112.2161.2178.958.20000112.7M81 R343 L344M81-S356 CarbonylContact C-O 3.6Å; M81-S356 WeakPolarHBondContact CA-O 3.3Å; M81-S356 WeakPolarHBondContact CB-O 3.24Å; M81-S356 WeakPolarHBondContact CG-O 3.33Å; M81-S356 PolarHBondContact O-N 3.11Å; M81-S356 PolarHBondContact O-OG 3.45Å; R343-S356 PolarHBondContact NH2-OG 2.94Å; L344-S356 CarbonylContact O-C 3.5Å; L344-S356 WeakPolarHBondContact O-CA 3.47Å; L344-S356 WeakPolarHBondContact O-CB 3.45Å
357D95.3Very high89.2Confident15 Ų1543.7 Ų43.78%0.0828%0.276CS..EExtended strand (participates in β ladder)trans-148176163.5-167.716.8000108.5M81 R343 L344 R371 F372M81-D357 HydrophobicContact CE-CB 4.08Å; R343-D357 WeakPolarHBondContact CA-O 3.4Å; L344-D357 HydrophobicContact CD1-CB 3.69Å; L344-D357 HydrophobicContact CG-CB 4.03Å; L344-D357 PolarHBondContact N-O 2.98Å; L344-D357 PolarHBondContact O-N 3.44Å; D357-R371 IonicContact OD1-NE 3.77Å; D357-R371 IonicContact OD2-CZ 3.64Å; D357-R371 IonicContact OD2-NE 2.54Å; D357-R371 PolarHBondContact OD2-NE 3.12Å; D357-R371 IonicContact OD2-NH2 2.66Å; D357-R371 PolarHBondContact OD2-NH2 3.33Å; D357-F372 HydrophobicContact CB-CE2 3.54Å; D357-F372 HydrophobicContact CB-CZ 3.91Å
358Y93.9Very high89.3Confident9 Ų942.1 Ų42.14%0.03527%0.265CS..EExtended strand (participates in β ladder)trans-123.9143.4175.8-57.7-84.8000109.9T310 D313 R314 I317 Q342 R343 R371T310-Y358 HydrophobicContact CG2-CE1 4.46Å; D313-Y358 HydrophobicContact CB-CE2 3.96Å; R314-Y358 HydrophobicContact CG-CD1 3.56Å; R314-Y358 HydrophobicContact CG-CE1 3.5Å; I317-Y358 HydrophobicContact CD1-CD2 3.52Å; I317-Y358 HydrophobicContact CD1-CE2 4.31Å; I317-Y358 HydrophobicContact CD1-CG 3.75Å; Q342-Y358 CarbonylContact O-C 3.54Å; Q342-Y358 WeakPolarHBondContact O-CA 3.32Å; R343-Y358 HydrophobicContact CB-CD1 4Å; R343-Y358 HydrophobicContact CB-CE1 3.87Å; R343-Y358 HydrophobicContact CG-CD1 4.11Å; R343-Y358 HydrophobicContact CG-CE1 3.7Å; Y358-R371 PolarHBondContact O-NH2 2.9Å
359K91.8Very high89.6Confident36 Ų3644.7 Ų44.716%0.15728%0.277CS..EExtended strand (participates in β ladder)trans-134.9142.717672.2169.9-167.3158.70112.8P341 Q342 L344 E363 I368P341-K359 CarbonylContact C-O 3.45Å; P341-K359 VanDerWaalsContact CA-O 3.3Å; P341-K359 WeakPolarHBondContact CA-O 3.41Å; Q342-K359 HydrophobicContact CB-CG 4.38Å; Q342-K359 PolarHBondContact N-O 2.83Å; Q342-K359 PolarHBondContact O-N 2.89Å; L344-K359 HydrophobicContact CD2-CB 4.18Å; L344-K359 HydrophobicContact CD2-CD 3.99Å; L344-K359 HydrophobicContact CD2-CG 4.06Å; K359-E363 WeakPolarHBondContact CA-OE2 3.4Å; K359-E363 HydrophobicContact CB-CB 4.4Å; K359-I368 HydrophobicContact CB-CD1 3.63Å; K359-I368 HydrophobicContact CD-CD1 4.35Å
360F90.2Very high90.2Very high36 Ų3647.6 Ų47.616%0.15828%0.277CS..  trans-73.5172.5163.4-66.9-80.4000110.9I317 L318 D321 P341 D362 E363I317-F360 HydrophobicContact CG2-CE2 3.74Å; I317-F360 HydrophobicContact CG2-CZ 3.77Å; L318-F360 HydrophobicContact CD1-CE1 4.23Å; D321-F360 HydrophobicContact CB-CE1 4.44Å; D321-F360 HydrophobicContact CB-CE2 4.08Å; D321-F360 HydrophobicContact CB-CZ 3.59Å; P341-F360 HydrophobicContact CG-CD1 4.02Å; P341-F360 HydrophobicContact CG-CE1 3.56Å; P341-F360 HydrophobicContact CG-CE2 4.22Å; P341-F360 HydrophobicContact CG-CZ 3.67Å; F360-D362 VanDerWaalsContact C-N 3.33Å; F360-D362 WeakPolarHBondContact CB-OD1 3.38Å; F360-E363 HydrophobicContact CB-CG 4.26Å; F360-E363 WeakPolarHBondContact CD2-OE2 3.44Å; F360-E363 PolarHBondContact N-OE2 3.3Å
361H84.1Confident91Very high170 Ų17046.6 Ų46.679%0.78725%0.25SC*.SBendtrans-72.8-30.2-174.5-179.258000112.7
362D85.8Confident91.5Very high138 Ų13845.6 Ų45.674%0.73824%0.243SC*.SBendtrans-86.4-15.7-177.455.1-34.6000113.8F360 A364F360-D362 VanDerWaalsContact C-N 3.33Å; F360-D362 WeakPolarHBondContact CB-OD1 3.38Å; D362-A364 PolarHBondContact O-N 2.83Å
363E89.5Confident91.9Very high33 Ų3347.1 Ų47.115%0.15425%0.251CS..  trans-69.1128.9177.6-71.6-175.27900112.6K359 F360 R371K359-E363 WeakPolarHBondContact CA-OE2 3.4Å; K359-E363 HydrophobicContact CB-CB 4.4Å; F360-E363 HydrophobicContact CB-CG 4.26Å; F360-E363 WeakPolarHBondContact CD2-OE2 3.44Å; F360-E363 PolarHBondContact N-OE2 3.3Å; E363-R371 IonicContact OE1-CZ 3.4Å; E363-R371 IonicContact OE1-NH1 3.82Å; E363-R371 PolarHBondContact OE1-NH1 3.47Å; E363-R371 IonicContact OE1-NH2 3.66Å; E363-R371 PolarHBondContact OE1-NH2 2.72Å; E363-R371 IonicContact OE2-NH2 3.48Å
364A90.3Very high92Very high54 Ų5451.8 Ų51.845%0.44627%0.272SS..  trans-76.6156.5175.500000111.8D362 G366 E367D362-A364 PolarHBondContact O-N 2.83Å; A364-G366 PolarHBondContact O-N 3.47Å; A364-E367 PolarHBondContact N-OE1 3.47Å; A364-E367 PolarHBondContact O-N 2.96Å; A364-E367 VanDerWaalsContact O-N 3.14Å
365A89.6Confident92Very high45 Ų4552.1 Ų52.137%0.37227%0.274SS..Hα-helixtrans-58.8-30.4175.900000112.9E367 I368 Q369 A382 I385A365-E367 VanDerWaalsContact C-N 3.34Å; A365-E367 PolarHBondContact O-N 3.04Å; A365-I368 WeakPolarHBondContact O-CB 3.42Å; A365-I368 PolarHBondContact O-N 3.3Å; A365-Q369 WeakPolarHBondContact O-CG 3.15Å; A365-Q369 PolarHBondContact O-N 3.43Å; A365-A382 HydrophobicContact CB-CB 4.33Å; A365-I385 HydrophobicContact CB-CD1 4.5Å
366G91.7Very high91.9Very high30 Ų3052 Ų5231%0.30927%0.274SS..Hα-helixtrans-60.4-40.5176.600000113A364 I368 Q369 E370A364-G366 PolarHBondContact O-N 3.47Å; G366-I368 VanDerWaalsContact C-N 3.3Å; G366-I368 PolarHBondContact O-N 2.99Å; G366-Q369 WeakPolarHBondContact O-CB 3.46Å; G366-Q369 PolarHBondContact O-N 3.27Å; G366-Q369 VanDerWaalsContact O-N 3.15Å; G366-E370 WeakPolarHBondContact O-CG 3.43Å; G366-E370 PolarHBondContact O-N 2.96Å
367E92Very high91.8Very high87 Ų8754.6 Ų54.641%0.40729%0.287SS..Hα-helixtrans-65.3-35.8178.5-62.6171.4-108.800111.4A364 A365 R371A364-E367 PolarHBondContact N-OE1 3.47Å; A364-E367 PolarHBondContact O-N 2.96Å; A364-E367 VanDerWaalsContact O-N 3.14Å; A365-E367 VanDerWaalsContact C-N 3.34Å; A365-E367 PolarHBondContact O-N 3.04Å; E367-R371 PolarHBondContact O-N 3.24Å
368I91.8Very high91.5Very high2 Ų254.8 Ų54.81%0.0129%0.288CS..Hα-helixtrans-65.5-46.7173.3-46-51.2000110L344 K359 A365 G366 E370 R371 F372 I385L344-I368 HydrophobicContact CD1-CG2 4.06Å; L344-I368 HydrophobicContact CD2-CD1 4.05Å; L344-I368 HydrophobicContact CD2-CG1 4.04Å; L344-I368 HydrophobicContact CD2-CG2 3.71Å; K359-I368 HydrophobicContact CB-CD1 3.63Å; K359-I368 HydrophobicContact CD-CD1 4.35Å; A365-I368 WeakPolarHBondContact O-CB 3.42Å; A365-I368 PolarHBondContact O-N 3.3Å; G366-I368 VanDerWaalsContact C-N 3.3Å; G366-I368 PolarHBondContact O-N 2.99Å; I368-E370 VanDerWaalsContact C-N 3.29Å; I368-E370 PolarHBondContact O-N 3.01Å; I368-R371 PolarHBondContact O-N 2.88Å; I368-F372 HydrophobicContact CG2-CD2 3.93Å; I368-F372 HydrophobicContact CG2-CE2 3.87Å; I368-F372 WeakPolarHBondContact O-CD2 3.23Å; I368-F372 PolarHBondContact O-N 3.28Å; I368-I385 HydrophobicContact CB-CD1 4.1Å; I368-I385 HydrophobicContact CG2-CD1 4.05Å
369Q94.4Very high91.4Very high57 Ų5760.4 Ų60.427%0.26632%0.323SS..Hα-helixtrans-60.2-42.4179.8-67172.7-71.300111.2A365 G366 F372 V373 V380 I385A365-Q369 WeakPolarHBondContact O-CG 3.15Å; A365-Q369 PolarHBondContact O-N 3.43Å; G366-Q369 WeakPolarHBondContact O-CB 3.46Å; G366-Q369 PolarHBondContact O-N 3.27Å; G366-Q369 VanDerWaalsContact O-N 3.15Å; Q369-F372 PolarHBondContact O-N 2.63Å; Q369-V373 WeakPolarHBondContact O-CG2 3.43Å; Q369-V373 PolarHBondContact O-N 2.7Å; Q369-V373 VanDerWaalsContact O-N 3.09Å; Q369-V380 HydrophobicContact CG-CB 4.46Å; Q369-V380 WeakPolarHBondContact CG-O 3.28Å; Q369-V380 PolarHBondContact NE2-O 3.08Å; Q369-I385 HydrophobicContact CG-CD1 4.21Å
370E93.3Very high91.4Very high139 Ų13958.9 Ų58.965%0.6532%0.317SS*.Hα-helixtrans-61.7-46.4175.5-73.2175.1-172.400111.7G366 I368 F372 V373 E374G366-E370 WeakPolarHBondContact O-CG 3.43Å; G366-E370 PolarHBondContact O-N 2.96Å; I368-E370 VanDerWaalsContact C-N 3.29Å; I368-E370 PolarHBondContact O-N 3.01Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.31Å; E370-V373 PolarHBondContact O-N 2.81Å; E370-V373 VanDerWaalsContact O-N 3.13Å; E370-E374 WeakPolarHBondContact O-CB 3.45Å; E370-E374 PolarHBondContact O-N 3.17Å
371R93.5Very high91.4Very high56 Ų5664.9 Ų64.921%0.21134%0.338CS..Hα-helixtrans-59-39.8175.9-83-160.8-60.3-88.125.4113.7D357 Y358 E363 E367 I368 E374 M375D357-R371 IonicContact OD1-NE 3.77Å; D357-R371 IonicContact OD2-CZ 3.64Å; D357-R371 IonicContact OD2-NE 2.54Å; D357-R371 PolarHBondContact OD2-NE 3.12Å; D357-R371 IonicContact OD2-NH2 2.66Å; D357-R371 PolarHBondContact OD2-NH2 3.33Å; Y358-R371 PolarHBondContact O-NH2 2.9Å; E363-R371 IonicContact OE1-CZ 3.4Å; E363-R371 IonicContact OE1-NH1 3.82Å; E363-R371 PolarHBondContact OE1-NH1 3.47Å; E363-R371 IonicContact OE1-NH2 3.66Å; E363-R371 PolarHBondContact OE1-NH2 2.72Å; E363-R371 IonicContact OE2-NH2 3.48Å; E367-R371 PolarHBondContact O-N 3.24Å; I368-R371 PolarHBondContact O-N 2.88Å; R371-E374 PolarHBondContact O-N 2.81Å; R371-M375 VanDerWaalsContact O-CB 3.3Å; R371-M375 WeakPolarHBondContact O-CB 3.27Å; R371-M375 WeakPolarHBondContact O-CG 3.49Å; R371-M375 PolarHBondContact O-N 2.85Å
372F93.8Very high91.7Very high0 Ų059.4 Ų59.40%032%0.323CS..Hα-helixtrans-69.2-35.2176.7-88.3-98.2000112.5M81 L344 V346 L355 D357 I368 Q369 E370 L376 D377 Q378 V380M81-F372 HydrophobicContact CE-CD1 4.12Å; M81-F372 HydrophobicContact CE-CD2 3.93Å; M81-F372 HydrophobicContact CE-CE1 3.88Å; M81-F372 HydrophobicContact CE-CE2 3.73Å; M81-F372 HydrophobicContact CE-CG 4.13Å; M81-F372 HydrophobicContact CE-CZ 3.68Å; L344-F372 HydrophobicContact CD1-CE2 4.04Å; L344-F372 HydrophobicContact CD1-CZ 4.29Å; V346-F372 HydrophobicContact CB-CD1 4.23Å; V346-F372 HydrophobicContact CB-CE1 3.55Å; V346-F372 HydrophobicContact CB-CE2 4.35Å; V346-F372 HydrophobicContact CB-CZ 3.62Å; V346-F372 HydrophobicContact CG1-CD1 4.11Å; V346-F372 HydrophobicContact CG1-CE1 3.91Å; V346-F372 HydrophobicContact CG1-CZ 4.37Å; V346-F372 HydrophobicContact CG2-CD1 4.4Å; V346-F372 HydrophobicContact CG2-CD2 4.3Å; V346-F372 HydrophobicContact CG2-CE1 3.8Å; V346-F372 HydrophobicContact CG2-CE2 3.66Å; V346-F372 HydrophobicContact CG2-CZ 3.39Å; L355-F372 HydrophobicContact CB-CE1 4.17Å; D357-F372 HydrophobicContact CB-CE2 3.54Å; D357-F372 HydrophobicContact CB-CZ 3.91Å; I368-F372 HydrophobicContact CG2-CD2 3.93Å; I368-F372 HydrophobicContact CG2-CE2 3.87Å; I368-F372 WeakPolarHBondContact O-CD2 3.23Å; I368-F372 PolarHBondContact O-N 3.28Å; Q369-F372 PolarHBondContact O-N 2.63Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.31Å; F372-L376 HydrophobicContact CD1-CD1 3.42Å; F372-L376 VanDerWaalsContact CD1-CD1 3.42Å; F372-L376 HydrophobicContact CE1-CD1 3.54Å; F372-L376 HydrophobicContact CG-CD1 4.31Å; F372-L376 CarbonylContact O-C 3.33Å; F372-L376 WeakPolarHBondContact O-CA 3.32Å; F372-L376 WeakPolarHBondContact O-CB 3.39Å; F372-L376 PolarHBondContact O-N 2.94Å; F372-D377 PolarHBondContact O-N 2.85Å; F372-Q378 CarbonylContact C-O 3.45Å; F372-Q378 VanDerWaalsContact C-O 3.32Å; F372-Q378 PolarHBondContact O-N 3.46Å; F372-V380 HydrophobicContact CB-CB 4.49Å; F372-V380 HydrophobicContact CB-CG2 3.5Å; F372-V380 VanDerWaalsContact CB-CG2 3.5Å; F372-V380 HydrophobicContact CD1-CG2 3.88Å; F372-V380 HydrophobicContact CG-CG2 3.72Å
373V93.4Very high91.8Very high65 Ų6559.7 Ų59.739%0.39432%0.32SS..Hα-helixtrans-66.2-44.3172.7171.60000110.1Q369 E370 D377 Q378Q369-V373 WeakPolarHBondContact O-CG2 3.43Å; Q369-V373 PolarHBondContact O-N 2.7Å; Q369-V373 VanDerWaalsContact O-N 3.09Å; E370-V373 PolarHBondContact O-N 2.81Å; E370-V373 VanDerWaalsContact O-N 3.13Å; V373-D377 WeakPolarHBondContact O-CA 3.36Å; V373-D377 PolarHBondContact O-N 2.83Å; V373-D377 VanDerWaalsContact O-N 3.12Å; V373-Q378 WeakPolarHBondContact CG2-O 3.49Å; V373-Q378 PolarHBondContact N-O 3.28Å
374E92.4Very high91.8Very high97 Ų9761 Ų6145%0.45333%0.327SS..Hα-helixtrans-67.7-59.5-179.1-160.2-166.4160.500111.3P48 E370 R371P48-E374 HydrophobicContact CB-CG 4.33Å; P48-E374 HydrophobicContact CG-CG 4.19Å; P48-E374 WeakPolarHBondContact CG-O 3.27Å; E370-E374 WeakPolarHBondContact O-CB 3.45Å; E370-E374 PolarHBondContact O-N 3.17Å; R371-E374 PolarHBondContact O-N 2.81Å
375M94Very high91.9Very high24 Ų2459.8 Ų59.812%0.11831%0.313CS..Hα-helixtrans-79.1-24.8-171.6-62.3-63.1118.500114.2P48 H74 Q77 V78 M81 R371P48-M375 HydrophobicContact CG-CE 4.22Å; H74-M375 PolarHBondContact NE2-O 3.49Å; Q77-M375 HydrophobicContact CB-SD 3.74Å; Q77-M375 HydrophobicContact CG-SD 4.2Å; V78-M375 HydrophobicContact CG2-CB 4.46Å; V78-M375 VanDerWaalsContact CG2-O 3.3Å; V78-M375 WeakPolarHBondContact CG2-O 3.49Å; M81-M375 HydrophobicContact SD-CB 3.72Å; M81-M375 HydrophobicContact SD-CG 4.22Å; R371-M375 VanDerWaalsContact O-CB 3.3Å; R371-M375 WeakPolarHBondContact O-CB 3.27Å; R371-M375 WeakPolarHBondContact O-CG 3.49Å; R371-M375 PolarHBondContact O-N 2.85Å
376L93.8Very high92Very high0 Ų062.4 Ų62.40%032%0.318CS..Hα-helixtrans-125.72.1-172.3-62.9168.7000113.8I31 V45 V78 M81 L355 F372 Q378I31-L376 HydrophobicContact CD1-CD2 3.88Å; V45-L376 HydrophobicContact CG1-CB 4.3Å; V45-L376 HydrophobicContact CG1-CD2 4.04Å; V45-L376 VanDerWaalsContact CG1-O 3.31Å; V45-L376 WeakPolarHBondContact CG1-O 2.96Å; V78-L376 HydrophobicContact CG1-CD2 4.12Å; V78-L376 HydrophobicContact CG2-CD2 4.12Å; M81-L376 HydrophobicContact CE-CD1 3.51Å; M81-L376 HydrophobicContact CE-CG 4.21Å; M81-L376 HydrophobicContact SD-CD1 3.91Å; M81-L376 HydrophobicContact SD-CG 4.08Å; L355-L376 HydrophobicContact CB-CD1 4.44Å; L355-L376 HydrophobicContact CD1-CD1 3.56Å; L355-L376 HydrophobicContact CD1-CD2 4.14Å; L355-L376 HydrophobicContact CD1-CG 4.4Å; F372-L376 HydrophobicContact CD1-CD1 3.42Å; F372-L376 VanDerWaalsContact CD1-CD1 3.42Å; F372-L376 HydrophobicContact CE1-CD1 3.54Å; F372-L376 HydrophobicContact CG-CD1 4.31Å; F372-L376 CarbonylContact O-C 3.33Å; F372-L376 WeakPolarHBondContact O-CA 3.32Å; F372-L376 WeakPolarHBondContact O-CB 3.39Å; F372-L376 PolarHBondContact O-N 2.94Å; L376-Q378 HydrophobicContact CB-CB 4.32Å; L376-Q378 PolarHBondContact O-N 3Å; L376-Q378 VanDerWaalsContact O-N 3.16Å
377D92.5Very high91.8Very high54 Ų5464.9 Ų64.929%0.28932%0.323SS..SBendtrans49.538.4-176.3-152.622.1000111.4Y14 R46 F372 V373Y14-D377 HydrophobicContact CE2-CB 4.45Å; Y14-D377 WeakPolarHBondContact CE2-OD2 3.13Å; Y14-D377 WeakPolarHBondContact OH-CB 3.29Å; Y14-D377 PolarHBondContact OH-OD2 3.31Å; R46-D377 IonicContact NH2-OD1 2.79Å; F372-D377 PolarHBondContact O-N 2.85Å; V373-D377 WeakPolarHBondContact O-CA 3.36Å; V373-D377 PolarHBondContact O-N 2.83Å; V373-D377 VanDerWaalsContact O-N 3.12Å
378Q90.2Very high91.4Very high19 Ų1961 Ų619%0.08931%0.306CS..  trans-127.2121-174.4177.4174.3-23.700111R43 P347 F372 V373 L376 V380R43-Q378 VanDerWaalsContact CZ-OE1 3.31Å; P347-Q378 PolarHBondContact O-NE2 2.77Å; F372-Q378 CarbonylContact C-O 3.45Å; F372-Q378 VanDerWaalsContact C-O 3.32Å; F372-Q378 PolarHBondContact O-N 3.46Å; V373-Q378 WeakPolarHBondContact CG2-O 3.49Å; V373-Q378 PolarHBondContact N-O 3.28Å; L376-Q378 HydrophobicContact CB-CB 4.32Å; L376-Q378 PolarHBondContact O-N 3Å; L376-Q378 VanDerWaalsContact O-N 3.16Å; Q378-V380 HydrophobicContact CG-CG2 4.21Å
379T91.9Very high90.4Very high126 Ų12669.2 Ų69.277%0.77334%0.344SS*.  trans-72.5132.6167.1-48.70000110.4
380V91.5Very high89.4Confident5 Ų567.6 Ų67.63%0.0334%0.337CS..  trans-122.5139-179.3179.60000108.8V346 Q369 F372 Q378 I385V346-V380 HydrophobicContact CG1-CB 4.22Å; V346-V380 HydrophobicContact CG1-CG1 3.57Å; V346-V380 HydrophobicContact CG1-CG2 3.55Å; V346-V380 HydrophobicContact CG2-CG1 4.07Å; Q369-V380 HydrophobicContact CG-CB 4.46Å; Q369-V380 WeakPolarHBondContact CG-O 3.28Å; Q369-V380 PolarHBondContact NE2-O 3.08Å; F372-V380 HydrophobicContact CB-CB 4.49Å; F372-V380 HydrophobicContact CB-CG2 3.5Å; F372-V380 VanDerWaalsContact CB-CG2 3.5Å; F372-V380 HydrophobicContact CD1-CG2 3.88Å; F372-V380 HydrophobicContact CG-CG2 3.72Å; Q378-V380 HydrophobicContact CG-CG2 4.21Å; V380-I385 HydrophobicContact CG1-CD1 4.36Å; V380-I385 HydrophobicContact CG1-CG1 3.85Å
381R91Very high87.9Confident162 Ų16266.3 Ų66.361%0.61134%0.338SS*.  trans-90.5144.8170.5-55.7-179.2177176.61.6109.5E383 D384R381-E383 HydrophobicContact CB-CG 3.78Å; R381-E383 WeakPolarHBondContact CD-OE1 3.4Å; R381-E383 IonicContact NH1-OE1 3.16Å; R381-E383 PolarHBondContact NH1-OE1 3.25Å; R381-E383 VanDerWaalsContact NH1-OE1 3.16Å; R381-E383 PolarHBondContact O-N 3.01Å; R381-E383 VanDerWaalsContact O-N 3.16Å; R381-D384 WeakPolarHBondContact CB-OD2 3.49Å; R381-D384 WeakPolarHBondContact O-CB 3.4Å; R381-D384 PolarHBondContact O-N 3.47Å
382A88.6Confident86.4Confident55 Ų5564.1 Ų64.146%0.45533%0.33SS..G310 helixtrans-57.5-31.9179.100000112.8A365 D384 I385A365-A382 HydrophobicContact CB-CB 4.33Å; A382-D384 VanDerWaalsContact C-N 3.28Å; A382-D384 PolarHBondContact O-N 3.32Å; A382-I385 PolarHBondContact O-N 2.9Å
383E89.3Confident84.8Confident144 Ų14465.7 Ų65.767%0.67334%0.34SS*.G310 helixtrans-66.8-23.8176.264.1-164.3-166.300114.2R381R381-E383 HydrophobicContact CB-CG 3.78Å; R381-E383 WeakPolarHBondContact CD-OE1 3.4Å; R381-E383 IonicContact NH1-OE1 3.16Å; R381-E383 PolarHBondContact NH1-OE1 3.25Å; R381-E383 VanDerWaalsContact NH1-OE1 3.16Å; R381-E383 PolarHBondContact O-N 3.01Å; R381-E383 VanDerWaalsContact O-N 3.16Å
384D89.9Confident83.5Confident60 Ų6062.9 Ų62.932%0.32132%0.323SS..G310 helixtrans-86.2-9.6-178.9-65.1-39.4000112.6P347 R381 A382 Q386P347-D384 VanDerWaalsContact CD-O 3.31Å; P347-D384 WeakPolarHBondContact CD-O 3.4Å; P347-D384 HydrophobicContact CG-CB 3.9Å; R381-D384 WeakPolarHBondContact CB-OD2 3.49Å; R381-D384 WeakPolarHBondContact O-CB 3.4Å; R381-D384 PolarHBondContact O-N 3.47Å; A382-D384 VanDerWaalsContact C-N 3.28Å; A382-D384 PolarHBondContact O-N 3.32Å; D384-Q386 PolarHBondContact O-N 2.67Å
385I91.5Very high82.2Confident28 Ų2861 Ų6114%0.14431%0.314CS..  trans-79.8111.8-178.1-58.8175.5000109.5L344 V346 A365 I368 Q369 V380 A382L344-I385 HydrophobicContact CB-CG2 4.24Å; L344-I385 HydrophobicContact CD1-CG2 4.12Å; L344-I385 HydrophobicContact CD2-CG2 4.05Å; L344-I385 HydrophobicContact CG-CG2 4.37Å; V346-I385 HydrophobicContact CG2-CG1 4.21Å; A365-I385 HydrophobicContact CB-CD1 4.5Å; I368-I385 HydrophobicContact CB-CD1 4.1Å; I368-I385 HydrophobicContact CG2-CD1 4.05Å; Q369-I385 HydrophobicContact CG-CD1 4.21Å; V380-I385 HydrophobicContact CG1-CD1 4.36Å; V380-I385 HydrophobicContact CG1-CG1 3.85Å; A382-I385 PolarHBondContact O-N 2.9Å
386Q91.1Very high80.7Confident101 Ų10160.4 Ų60.447%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-100.6108.4178.7-63177.912.800110.3L344 F345 M354 D384L344-Q386 CarbonylContact C-O 3.55Å; L344-Q386 VanDerWaalsContact CA-O 3.26Å; L344-Q386 WeakPolarHBondContact CA-O 3.29Å; F345-Q386 HydrophobicContact CB-CB 4.4Å; F345-Q386 PolarHBondContact N-O 2.93Å; F345-Q386 PolarHBondContact O-N 3Å; M354-Q386 HydrophobicContact CE-CB 4.42Å; M354-Q386 HydrophobicContact CE-CG 4.04Å; D384-Q386 PolarHBondContact O-N 2.67Å
387I88Confident79.1Confident82 Ų8262.1 Ų62.142%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-73.1132.8173.8-57.3172.3000108.8E389I387-E389 PolarHBondContact O-N 2.87Å
388A83Confident77.3Confident5 Ų562 Ų624%0.04133%0.325CS..  trans-71.3122.5172.800000110.1K284 R343 F345 E390K284-A388 HydrophobicContact CB-CB 4.19Å; K284-A388 HydrophobicContact CD-CB 4.43Å; R343-A388 HydrophobicContact CB-CB 4.31Å; R343-A388 VanDerWaalsContact O-CB 3.22Å; R343-A388 WeakPolarHBondContact O-CB 3.5Å; R343-A388 PolarHBondContact O-N 2.81Å; F345-A388 HydrophobicContact CE2-CB 4.08Å; A388-E390 HydrophobicContact CB-CG 4Å; A388-E390 WeakPolarHBondContact CB-OE1 3.27Å; A388-E390 PolarHBondContact O-N 3.3Å
389E71.7Confident75.4Confident175 Ų17564.6 Ų64.682%0.81834%0.342SS*.  trans-65.9103.1173.6-67.8178.8177.300110.3I387I387-E389 PolarHBondContact O-N 2.87Å
390E72.9Confident73.2Confident23 Ų2362.6 Ų62.611%0.10733%0.33CS..  trans-149.3153.2-171.9-67.5-177.5-17200111.7A282 K284 R314 A388 N392A282-E390 WeakPolarHBondContact O-CB 3.28Å; K284-E390 WeakPolarHBondContact CA-OE1 3.39Å; K284-E390 HydrophobicContact CB-CG 3.89Å; K284-E390 VanDerWaalsContact CB-OE1 3.28Å; K284-E390 WeakPolarHBondContact CB-OE1 3.17Å; K284-E390 VanDerWaalsContact N-CD 3.26Å; K284-E390 PolarHBondContact N-OE1 3.33Å; R314-E390 IonicContact CZ-OE2 3.9Å; R314-E390 IonicContact NH1-OE2 3.85Å; R314-E390 PolarHBondContact NH1-OE2 3.34Å; R314-E390 IonicContact NH2-OE2 2.9Å; A388-E390 HydrophobicContact CB-CG 4Å; A388-E390 WeakPolarHBondContact CB-OE1 3.27Å; A388-E390 PolarHBondContact O-N 3.3Å; E390-N392 PolarHBondContact OE2-ND2 2.87Å
391V62.3Low70.8Confident112 Ų11269 Ų6968%0.67936%0.364SS*.EExtended strand (participates in β ladder)trans-128.6113171.1179.70000107.5G281 A282G281-V391 CarbonylContact C-O 3.58Å; G281-V391 WeakPolarHBondContact CA-O 3.37Å; A282-V391 PolarHBondContact N-O 3.08Å
392N60.7Low68.7Low9 Ų968.7 Ų68.75%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-141.1128.8179.7-63.4-72.2000112.4K280 G281 A282 V283 R314 L340 E390K280-N392 WeakPolarHBondContact O-CA 3.36Å; G281-N392 VanDerWaalsContact C-OD1 3.32Å; G281-N392 VanDerWaalsContact CA-OD1 3.29Å; G281-N392 WeakPolarHBondContact CA-OD1 3.49Å; A282-N392 PolarHBondContact N-OD1 3.26Å; A282-N392 PolarHBondContact O-ND2 2.84Å; A282-N392 PolarHBondContact O-OD1 3.03Å; V283-N392 WeakPolarHBondContact CG1-OD1 3.2Å; R314-N392 PolarHBondContact NH1-ND2 3.4Å; R314-N392 PolarHBondContact NH2-ND2 3.07Å; L340-N392 HydrophobicContact CB-CB 4.37Å; L340-N392 HydrophobicContact CD1-CB 4.37Å; L340-N392 PolarHBondContact N-O 3.09Å; E390-N392 PolarHBondContact OE2-ND2 2.87Å
393T60.3Low66.3Low33 Ų3369.1 Ų69.120%0.20237%0.368CS..EExtended strand (participates in β ladder)trans-130.5146.717860.80000111.2K280 R338 H395K280-T393 PolarHBondContact N-O 3.04Å; K280-T393 PolarHBondContact O-N 3.45Å; K280-T393 VanDerWaalsContact O-O 3.11Å; R338-T393 CarbonylContact O-C 3.59Å; R338-T393 WeakPolarHBondContact O-CA 3.22Å; T393-H395 PolarHBondContact OG1-CD2 3.26Å; T393-H395 PolarHBondContact OG1-NE2 3.4Å
394V66.1Low64.3Low6 Ų668 Ų684%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-108.9122167.3-178.30000107.5I277 N278 L279 L318 R338 L340 I396I277-V394 HydrophobicContact CG2-CG1 3.8Å; N278-V394 CarbonylContact O-C 3.55Å; N278-V394 WeakPolarHBondContact O-CA 3.46Å; L279-V394 HydrophobicContact CD2-CB 3.94Å; L279-V394 HydrophobicContact CD2-CG1 3.62Å; L279-V394 HydrophobicContact CD2-CG2 3.33Å; L318-V394 HydrophobicContact CD2-CG2 4.25Å; R338-V394 PolarHBondContact N-O 3.16Å; R338-V394 PolarHBondContact O-N 2.83Å; L340-V394 HydrophobicContact CD1-CG2 4.04Å; L340-V394 HydrophobicContact CD2-CG2 3.44Å; L340-V394 VanDerWaalsContact CD2-CG2 3.44Å; L340-V394 HydrophobicContact CG-CG2 3.56Å; V394-I396 HydrophobicContact CG1-CG1 4.39Å
395H65.1Low62.3Low58 Ų5871.7 Ų71.727%0.26939%0.386SS..EExtended strand (participates in β ladder)trans-108.7120.4172.4-61.1-89.6000109.6N278 C337 T393N278-H395 HydrophobicContact CB-CB 4.2Å; N278-H395 PolarHBondContact N-O 3.17Å; N278-H395 PolarHBondContact O-N 2.84Å; C337-H395 PolarHBondContact SG-CE1 2.88Å; T393-H395 PolarHBondContact OG1-CD2 3.26Å; T393-H395 PolarHBondContact OG1-NE2 3.4Å
396I63.5Low60.4Low11 Ų1174.6 Ų74.66%0.05641%0.405CS..EExtended strand (participates in β ladder)trans-96.9114.2169.8-57.5171.4000107.1L199 F333 E336 V394 P398L199-I396 HydrophobicContact CD1-CD1 3.94Å; L199-I396 HydrophobicContact CD1-CG1 4.38Å; L199-I396 HydrophobicContact CD2-CD1 3.68Å; L199-I396 HydrophobicContact CG-CD1 4.47Å; F333-I396 HydrophobicContact CB-CG2 4.3Å; F333-I396 HydrophobicContact CD1-CD1 4.36Å; E336-I396 PolarHBondContact O-N 3.19Å; V394-I396 HydrophobicContact CG1-CG1 4.39Å; I396-P398 WeakPolarHBondContact O-CD 3.46Å
397C59.4Low58.3Low36 Ų3674.3 Ų74.324%0.24340%0.404CS..EExtended strand (participates in β ladder)trans-108.896.5-179.7-68.60000108.7G275 S276G275-C397 CarbonylContact C-O 3.47Å; G275-C397 WeakPolarHBondContact CA-O 3.24Å; S276-C397 PolarHBondContact N-O 3.26Å; S276-C397 PolarHBondContact O-N 3.19Å
398P55.1Low56.2Low53 Ų5375.1 Ų75.134%0.34441%0.406SS..EExtended strand (participates in β ladder)trans-65.7153.4167.333.8-40.6000109.8F333 I396 T400F333-P398 WeakPolarHBondContact O-CD 3.13Å; F333-P398 WeakPolarHBondContact O-CG 3.42Å; I396-P398 WeakPolarHBondContact O-CD 3.46Å; P398-T400 PolarHBondContact O-N 3.29Å
399V50.8Low54.7Low73 Ų7379.5 Ų79.544%0.44243%0.429SS..  trans-68.1115.7160.8174.70000106.7S274 M403S274-V399 VanDerWaalsContact C-CG2 3.45Å; S274-V399 WeakPolarHBondContact O-CB 3.32Å; S274-V399 VanDerWaalsContact O-CG2 3.32Å; S274-V399 WeakPolarHBondContact O-CG2 3.37Å; S274-V399 PolarHBondContact O-N 3.12Å; V399-M403 HydrophobicContact CG1-SD 4.31Å
400T44.8Very low53.8Low84 Ų8477.3 Ų77.352%0.51542%0.419SS..  trans-70.4126.5172.340.90000109.2P398 N402P398-T400 PolarHBondContact O-N 3.29Å; T400-N402 PolarHBondContact O-N 3Å
401D42.5Very low52.5Low140 Ų14079.8 Ų79.875%0.74943%0.432SS*.SBendtrans-63.726.7170.3-90.4-13.1000113.9M403D401-M403 PolarHBondContact O-N 2.81Å
402N45.6Very low52.1Low154 Ų15478 Ų7882%0.82442%0.421SS*.  trans-91.746.7165.3-68.8-11.4000109.2T400T400-N402 PolarHBondContact O-N 3Å
403M39.3Very low51.9Low64 Ų6484 Ų8432%0.31545%0.447SS..  trans-95.1123.6170.1-65.7-164.687.400107.3V399 D401 E407V399-M403 HydrophobicContact CG1-SD 4.31Å; D401-M403 PolarHBondContact O-N 2.81Å; M403-E407 HydrophobicContact CB-CB 4.36Å; M403-E407 HydrophobicContact CE-CB 3.61Å; M403-E407 HydrophobicContact CE-CG 4.34Å; M403-E407 WeakPolarHBondContact CE-OE2 3.34Å
404D46.9Very low51.6Low120 Ų12084.6 Ų84.664%0.64246%0.455SS*.  trans-53.2139.6171.7-15611.4000108.6T406 E407D404-T406 PolarHBondContact O-N 2.71Å; D404-E407 PolarHBondContact O-N 3.43Å
405D48.5Very low50.7Low139 Ų13986.6 Ų86.674%0.74347%0.468SS*.Hα-helixtrans-50.1-22.5-172.9-86.1-37.2000113.4N409D405-N409 PolarHBondContact O-N 2.86Å
406T50.3Low50.4Low88 Ų8889.2 Ų89.254%0.5448%0.483SS..Hα-helixtrans-66.4-39.5175.6-44.60000113.4D404 Q410D404-T406 PolarHBondContact O-N 2.71Å; T406-Q410 WeakPolarHBondContact O-CG 3.44Å; T406-Q410 PolarHBondContact O-N 2.9Å
407E46.5Very low50.2Low96 Ų9693.5 Ų93.545%0.44951%0.505SS..Hα-helixtrans-78.6-33.8-175.7-59.2-169.5140.800112.1M403 D404 N409 Q410 L411M403-E407 HydrophobicContact CB-CB 4.36Å; M403-E407 HydrophobicContact CE-CB 3.61Å; M403-E407 HydrophobicContact CE-CG 4.34Å; M403-E407 WeakPolarHBondContact CE-OE2 3.34Å; D404-E407 PolarHBondContact O-N 3.43Å; E407-N409 VanDerWaalsContact C-N 3.34Å; E407-Q410 PolarHBondContact O-N 3.42Å; E407-L411 WeakPolarHBondContact O-CB 3.27Å; E407-L411 PolarHBondContact O-N 3.36Å
408Q45.8Very low49.9Very low98 Ų9894.8 Ų94.846%0.45851%0.51SS..Hα-helixtrans-67.4-36.5175.2-168.8150.9-7.700111.8Q410 L411 T412Q408-Q410 VanDerWaalsContact C-N 3.34Å; Q408-L411 PolarHBondContact O-N 2.9Å; Q408-T412 WeakPolarHBondContact O-CB 3.3Å; Q408-T412 PolarHBondContact O-N 3.48Å; Q408-T412 PolarHBondContact O-OG1 3.47Å
409N51.3Low50.1Low98 Ų9897.8 Ų97.852%0.52452%0.517SS..Hα-helixtrans-68.1-35.6174.5-134.9-19.8000111.6D405 E407 K413D405-N409 PolarHBondContact O-N 2.86Å; E407-N409 VanDerWaalsContact C-N 3.34Å; N409-K413 WeakPolarHBondContact O-CB 3.19Å; N409-K413 VanDerWaalsContact O-CG 3.25Å; N409-K413 WeakPolarHBondContact O-CG 3.06Å; N409-K413 PolarHBondContact O-N 3.33Å
410Q52.8Low50.6Low129 Ų129100.2 Ų100.260%0.60353%0.527SS*.Hα-helixtrans-69.1-41.7172.3-73.3-173.53.700112.5T406 E407 Q408 K413 A414T406-Q410 WeakPolarHBondContact O-CG 3.44Å; T406-Q410 PolarHBondContact O-N 2.9Å; E407-Q410 PolarHBondContact O-N 3.42Å; Q408-Q410 VanDerWaalsContact C-N 3.34Å; Q410-K413 PolarHBondContact O-N 3.03Å; Q410-A414 VanDerWaalsContact O-CB 3.27Å; Q410-A414 WeakPolarHBondContact O-CB 3.38Å; Q410-A414 PolarHBondContact O-N 3.36Å
411L45.7Very low51.2Low75 Ų75102.1 Ų102.139%0.39353%0.53SS..Hα-helixtrans-63.7-40.8176.8-170.471.1000111.8V272 E407 Q408 A414 T415V272-L411 HydrophobicContact CG1-CD1 3.92Å; V272-L411 HydrophobicContact CG1-CG 4.46Å; V272-L411 HydrophobicContact CG2-CD1 4.33Å; E407-L411 WeakPolarHBondContact O-CB 3.27Å; E407-L411 PolarHBondContact O-N 3.36Å; Q408-L411 PolarHBondContact O-N 2.9Å; L411-A414 PolarHBondContact O-N 3.39Å; L411-T415 VanDerWaalsContact O-CB 3.3Å; L411-T415 WeakPolarHBondContact O-CB 3.47Å; L411-T415 PolarHBondContact O-N 3.41Å; L411-T415 PolarHBondContact O-OG1 3.06Å
412T52.5Low51.8Low73 Ų73101.7 Ų101.745%0.44852%0.524SS..Hα-helixtrans-66.9-43.2177.4-48.70000110.8Q408 T415 L416Q408-T412 WeakPolarHBondContact O-CB 3.3Å; Q408-T412 PolarHBondContact O-N 3.48Å; Q408-T412 PolarHBondContact O-OG1 3.47Å; T412-T415 PolarHBondContact O-N 3.34Å; T412-L416 WeakPolarHBondContact O-CB 3.4Å; T412-L416 WeakPolarHBondContact O-CG 3.42Å; T412-L416 PolarHBondContact O-N 3.35Å
413K56.3Low52.4Low135 Ų13599 Ų9959%0.58751%0.509SS*.Hα-helixtrans-62.9-44.2173.1-76.5175.6-176.3178.70112.2N409 Q410 L416 L417N409-K413 WeakPolarHBondContact O-CB 3.19Å; N409-K413 VanDerWaalsContact O-CG 3.25Å; N409-K413 WeakPolarHBondContact O-CG 3.06Å; N409-K413 PolarHBondContact O-N 3.33Å; Q410-K413 PolarHBondContact O-N 3.03Å; K413-L416 PolarHBondContact O-N 2.87Å; K413-L417 WeakPolarHBondContact O-CB 3.31Å; K413-L417 PolarHBondContact O-N 3.27Å
414A54.4Low53.5Low46 Ų46100.9 Ų100.938%0.3852%0.518SS..Hα-helixtrans-63.3-42.1177.800000111.4Q410 L411 L417 L418Q410-A414 VanDerWaalsContact O-CB 3.27Å; Q410-A414 WeakPolarHBondContact O-CB 3.38Å; Q410-A414 PolarHBondContact O-N 3.36Å; L411-A414 PolarHBondContact O-N 3.39Å; A414-L417 PolarHBondContact O-N 3.46Å; A414-L418 WeakPolarHBondContact O-CB 3.45Å; A414-L418 PolarHBondContact O-N 2.97Å
415T47.8Very low54.1Low48 Ų4897.4 Ų97.429%0.29451%0.511SS..Hα-helixtrans-65.6-40.3177.2-56.10000111.8L411 T412 L418 K419L411-T415 VanDerWaalsContact O-CB 3.3Å; L411-T415 WeakPolarHBondContact O-CB 3.47Å; L411-T415 PolarHBondContact O-N 3.41Å; L411-T415 PolarHBondContact O-OG1 3.06Å; T412-T415 PolarHBondContact O-N 3.34Å; T415-L418 PolarHBondContact O-N 3.01Å; T415-K419 PolarHBondContact O-N 3.45Å
416L58.8Low54.9Low114 Ų11495.6 Ų95.660%0.59751%0.505SS*.Hα-helixtrans-65.1-43.5173.3-81.3171.4000112T412 K413 L418 K419 L420T412-L416 WeakPolarHBondContact O-CB 3.4Å; T412-L416 WeakPolarHBondContact O-CG 3.42Å; T412-L416 PolarHBondContact O-N 3.35Å; K413-L416 PolarHBondContact O-N 2.87Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 3.09Å; L416-K419 PolarHBondContact O-N 3.4Å; L416-L420 WeakPolarHBondContact O-CB 3.4Å; L416-L420 PolarHBondContact O-N 2.94Å
417L58.3Low55.8Low100 Ų10096 Ų9652%0.52451%0.507SS..Hα-helixtrans-61.5-41.2176.2-111.8163.1000112K413 A414 L420 Q421K413-L417 WeakPolarHBondContact O-CB 3.31Å; K413-L417 PolarHBondContact O-N 3.27Å; A414-L417 PolarHBondContact O-N 3.46Å; L417-L420 WeakPolarHBondContact O-CB 3.32Å; L417-L420 PolarHBondContact O-N 3.38Å; L417-Q421 WeakPolarHBondContact O-CB 3.5Å; L417-Q421 WeakPolarHBondContact O-CG 3.22Å; L417-Q421 PolarHBondContact O-N 3.46Å
418L54.8Low57.1Low63 Ų6396.3 Ų96.333%0.3351%0.511SS..Hα-helixtrans-66.4-42.4178-124.4153.8000111.7A414 T415 L416 L420 Q421 Q422A414-L418 WeakPolarHBondContact O-CB 3.45Å; A414-L418 PolarHBondContact O-N 2.97Å; T415-L418 PolarHBondContact O-N 3.01Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 3.09Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L418-Q421 PolarHBondContact O-N 3.42Å; L418-Q422 HydrophobicContact CD2-CG 4.27Å; L418-Q422 WeakPolarHBondContact O-CB 3.45Å; L418-Q422 VanDerWaalsContact O-CG 3.31Å; L418-Q422 WeakPolarHBondContact O-CG 3.43Å; L418-Q422 PolarHBondContact O-N 2.92Å
419K58.4Low58Low117 Ų11794.5 Ų94.551%0.50951%0.513SS..Hα-helixtrans-63.9-38.1172.4-77.6-163.5175.8-173.80112.1T415 L416 N423T415-K419 PolarHBondContact O-N 3.45Å; L416-K419 PolarHBondContact O-N 3.4Å; K419-N423 VanDerWaalsContact O-CB 3.32Å; K419-N423 WeakPolarHBondContact O-CB 3.39Å; K419-N423 PolarHBondContact O-N 3.46Å; K419-N423 PolarHBondContact O-ND2 2.9Å
420L60.3Low59Low123 Ų12392.5 Ų92.564%0.64451%0.509SS*.Hα-helixtrans-64.1-45.5176.3-149.897.5000110.9L416 L417 L418 N423 M424L416-L420 WeakPolarHBondContact O-CB 3.4Å; L416-L420 PolarHBondContact O-N 2.94Å; L417-L420 WeakPolarHBondContact O-CB 3.32Å; L417-L420 PolarHBondContact O-N 3.38Å; L418-L420 VanDerWaalsContact C-N 3.33Å; L420-N423 PolarHBondContact O-N 2.93Å; L420-M424 WeakPolarHBondContact O-CB 3.42Å; L420-M424 PolarHBondContact O-N 3.46Å
421Q58.1Low60.2Low124 Ų12488.3 Ų88.358%0.57950%0.497SS*.Hα-helixtrans-66.7-41.6178.3-76.5-177.4-34.400112.7L417 L418 N423 M424L417-Q421 WeakPolarHBondContact O-CB 3.5Å; L417-Q421 WeakPolarHBondContact O-CG 3.22Å; L417-Q421 PolarHBondContact O-N 3.46Å; L418-Q421 PolarHBondContact O-N 3.42Å; Q421-N423 VanDerWaalsContact C-N 3.32Å; Q421-N423 PolarHBondContact O-N 2.95Å; Q421-M424 PolarHBondContact O-N 3.31Å
422Q55Low62Low131 Ų13189.1 Ų89.161%0.61251%0.505SS*.Hα-helixtrans-64.4-36.1176.3-76.4177.3-11.700112.2L418L418-Q422 HydrophobicContact CD2-CG 4.27Å; L418-Q422 WeakPolarHBondContact O-CB 3.45Å; L418-Q422 VanDerWaalsContact O-CG 3.31Å; L418-Q422 WeakPolarHBondContact O-CG 3.43Å; L418-Q422 PolarHBondContact O-N 2.92Å
423N57.8Low63.1Low98 Ų9888.2 Ų88.252%0.52451%0.505SS..Hα-helixtrans-83.2-18.4179.1-67.8-14000113.4K419 L420 Q421 G425 V426 V427K419-N423 VanDerWaalsContact O-CB 3.32Å; K419-N423 WeakPolarHBondContact O-CB 3.39Å; K419-N423 PolarHBondContact O-N 3.46Å; K419-N423 PolarHBondContact O-ND2 2.9Å; L420-N423 PolarHBondContact O-N 2.93Å; Q421-N423 VanDerWaalsContact C-N 3.32Å; Q421-N423 PolarHBondContact O-N 2.95Å; N423-G425 VanDerWaalsContact C-N 3.28Å; N423-G425 PolarHBondContact O-N 2.97Å; N423-V426 PolarHBondContact O-N 2.86Å; N423-V426 VanDerWaalsContact O-N 3.09Å; N423-V427 WeakPolarHBondContact O-CG2 3.28Å; N423-V427 PolarHBondContact O-N 3.47Å
424M64Low64.4Low103 Ų10385.8 Ų85.851%0.50750%0.501SS..Hα-helixtrans-62.3-35.4179.7-165.9157.565.600112.2L420 Q421 V426 V427 I428L420-M424 WeakPolarHBondContact O-CB 3.42Å; L420-M424 PolarHBondContact O-N 3.46Å; Q421-M424 PolarHBondContact O-N 3.31Å; M424-V426 VanDerWaalsContact C-N 3.33Å; M424-V426 PolarHBondContact O-N 2.92Å; M424-V427 PolarHBondContact O-N 3.27Å; M424-I428 HydrophobicContact CG-CD1 3.98Å; M424-I428 WeakPolarHBondContact O-CB 3.15Å; M424-I428 WeakPolarHBondContact O-CD1 3.32Å; M424-I428 WeakPolarHBondContact O-CG1 3.39Å; M424-I428 PolarHBondContact O-N 3.28Å
425G59.1Low65.8Low47 Ų4790 Ų9049%0.48551%0.511SS..Hα-helixtrans-62.6-37.8173.400000113.2N423 A429N423-G425 VanDerWaalsContact C-N 3.28Å; N423-G425 PolarHBondContact O-N 2.97Å; G425-A429 WeakPolarHBondContact O-CB 3.45Å; G425-A429 PolarHBondContact O-N 3.49Å
426V65.3Low67.2Low101 Ų10190.4 Ų90.461%0.61252%0.52SS*.Hα-helixtrans-71.3-40.6177.5179.90000111.1N423 M424 A429 A430N423-V426 PolarHBondContact O-N 2.86Å; N423-V426 VanDerWaalsContact O-N 3.09Å; M424-V426 VanDerWaalsContact C-N 3.33Å; M424-V426 PolarHBondContact O-N 2.92Å; V426-A429 PolarHBondContact O-N 3.31Å; V426-A430 WeakPolarHBondContact O-CB 3.3Å; V426-A430 PolarHBondContact O-N 3.42Å
427V68.6Low68.1Low98 Ų9888.7 Ų88.759%0.59452%0.517SS*.Hα-helixtrans-65.2-42.9176.9175.20000111.2N423 M424 A430 A431N423-V427 WeakPolarHBondContact O-CG2 3.28Å; N423-V427 PolarHBondContact O-N 3.47Å; M424-V427 PolarHBondContact O-N 3.27Å; V427-A430 PolarHBondContact O-N 3.39Å; V427-A431 WeakPolarHBondContact O-CB 3.47Å; V427-A431 PolarHBondContact O-N 2.89Å
428I73.8Confident69.2Low102 Ų10288 Ų8852%0.52351%0.513SS..Hα-helixtrans-64.3-44.6176-67.8166.6000110.3M424 A430 A431 V432M424-I428 HydrophobicContact CG-CD1 3.98Å; M424-I428 WeakPolarHBondContact O-CB 3.15Å; M424-I428 WeakPolarHBondContact O-CD1 3.32Å; M424-I428 WeakPolarHBondContact O-CG1 3.39Å; M424-I428 PolarHBondContact O-N 3.28Å; I428-A430 VanDerWaalsContact C-N 3.35Å; I428-A430 PolarHBondContact O-N 2.73Å; I428-A431 PolarHBondContact O-N 3Å; I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 VanDerWaalsContact O-CG2 3.28Å; I428-V432 WeakPolarHBondContact O-CG2 3.3Å; I428-V432 PolarHBondContact O-N 3.33Å
429A64.4Low70.3Confident60 Ų6092.4 Ų92.450%0.49653%0.53SS..Hα-helixtrans-61.8-41.5177.600000112.4G425 V426 V432 A433G425-A429 WeakPolarHBondContact O-CB 3.45Å; G425-A429 PolarHBondContact O-N 3.49Å; V426-A429 PolarHBondContact O-N 3.31Å; A429-V432 PolarHBondContact O-N 3.43Å; A429-A433 WeakPolarHBondContact O-CB 3.41Å; A429-A433 PolarHBondContact O-N 2.88Å
430A72.9Confident71.1Confident55 Ų5589.7 Ų89.746%0.45553%0.525SS..Hα-helixtrans-64.3-43.8175.200000111.9V426 V427 I428 A433 V434V426-A430 WeakPolarHBondContact O-CB 3.3Å; V426-A430 PolarHBondContact O-N 3.42Å; V427-A430 PolarHBondContact O-N 3.39Å; I428-A430 VanDerWaalsContact C-N 3.35Å; I428-A430 PolarHBondContact O-N 2.73Å; A430-A433 PolarHBondContact O-N 3.17Å; A430-V434 WeakPolarHBondContact O-CG2 3.28Å; A430-V434 PolarHBondContact O-N 3.34Å
431A77Confident71.8Confident42 Ų4290.9 Ų90.935%0.34753%0.526SS..Hα-helixtrans-61.8-44.9176.500000111.7V427 I428 A433 V434 F435V427-A431 WeakPolarHBondContact O-CB 3.47Å; V427-A431 PolarHBondContact O-N 2.89Å; I428-A431 PolarHBondContact O-N 3Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-A433 PolarHBondContact O-N 3.47Å; A431-V434 PolarHBondContact O-N 3.23Å; A431-F435 WeakPolarHBondContact O-CD2 3.36Å; A431-F435 PolarHBondContact O-N 2.88Å
432V83.4Confident72.3Confident91 Ų9189.6 Ų89.655%0.55252%0.523SS*.Hα-helixtrans-61.9-41.7176.4172.20000111.3I428 A429 V434 F435 A436I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 VanDerWaalsContact O-CG2 3.28Å; I428-V432 WeakPolarHBondContact O-CG2 3.3Å; I428-V432 PolarHBondContact O-N 3.33Å; A429-V432 PolarHBondContact O-N 3.43Å; V432-V434 PolarHBondContact O-N 2.92Å; V432-F435 PolarHBondContact O-N 3.31Å; V432-A436 VanDerWaalsContact O-CB 3.3Å; V432-A436 WeakPolarHBondContact O-CB 3.39Å; V432-A436 PolarHBondContact O-N 3.38Å
433A76.8Confident73.2Confident54 Ų5492.1 Ų92.145%0.44653%0.528SS..Hα-helixtrans-64.2-39.1176.800000112.6A429 A430 A431 S437A429-A433 WeakPolarHBondContact O-CB 3.41Å; A429-A433 PolarHBondContact O-N 2.88Å; A430-A433 PolarHBondContact O-N 3.17Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A431-A433 PolarHBondContact O-N 3.47Å; A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 3.24Å; A433-S437 PolarHBondContact O-OG 2.67Å
434V83.5Confident73.5Confident85 Ų8595.1 Ų95.152%0.51554%0.537SS..Hα-helixtrans-66.1-46.9175.1171.10000110.7A430 A431 V432 A436 S437 I438A430-V434 WeakPolarHBondContact O-CG2 3.28Å; A430-V434 PolarHBondContact O-N 3.34Å; A431-V434 PolarHBondContact O-N 3.23Å; V432-V434 PolarHBondContact O-N 2.92Å; V434-A436 PolarHBondContact O-N 3.25Å; V434-S437 PolarHBondContact O-N 3.07Å; V434-I438 HydrophobicContact CG1-CD1 3.76Å; V434-I438 HydrophobicContact CG1-CG1 4.47Å; V434-I438 VanDerWaalsContact O-CG1 3.31Å; V434-I438 WeakPolarHBondContact O-CG1 3.5Å; V434-I438 PolarHBondContact O-N 3.44Å
435F82.8Confident73.1Confident133 Ų13393.8 Ų93.858%0.58354%0.538SS*.Hα-helixtrans-62-42.9176.7-81.7-64.2000112.3A431 V432 S437 I438 F439A431-F435 WeakPolarHBondContact O-CD2 3.36Å; A431-F435 PolarHBondContact O-N 2.88Å; V432-F435 PolarHBondContact O-N 3.31Å; F435-S437 VanDerWaalsContact C-N 3.3Å; F435-S437 PolarHBondContact O-N 2.81Å; F435-I438 PolarHBondContact O-N 2.77Å; F435-F439 WeakPolarHBondContact O-CB 3.44Å; F435-F439 WeakPolarHBondContact O-CD2 3.25Å; F435-F439 PolarHBondContact O-N 2.85Å
436A78.3Confident72.6Confident58 Ų58101.6 Ų101.648%0.47957%0.568SS.*Hα-helixtrans-62.2-38.5176.400000112V432 V434 S440V432-A436 VanDerWaalsContact O-CB 3.3Å; V432-A436 WeakPolarHBondContact O-CB 3.39Å; V432-A436 PolarHBondContact O-N 3.38Å; V434-A436 PolarHBondContact O-N 3.25Å; A436-S440 VanDerWaalsContact O-CB 3.28Å; A436-S440 WeakPolarHBondContact O-CB 3.48Å; A436-S440 PolarHBondContact O-N 3.36Å
437S76.7Confident73Confident78 Ų78101.7 Ų101.755%0.54557%0.566SS.*Hα-helixtrans-67.6-41.6176.5-56.10000112.1A433 V434 F435 S440 F441A433-S437 WeakPolarHBondContact O-CB 3.4Å; A433-S437 PolarHBondContact O-N 3.24Å; A433-S437 PolarHBondContact O-OG 2.67Å; V434-S437 PolarHBondContact O-N 3.07Å; F435-S437 VanDerWaalsContact C-N 3.3Å; F435-S437 PolarHBondContact O-N 2.81Å; S437-S440 PolarHBondContact O-N 3.37Å; S437-F441 WeakPolarHBondContact O-CB 3.42Å; S437-F441 PolarHBondContact O-N 2.96Å
438I82.1Confident73.2Confident85 Ų85101.8 Ų101.844%0.43657%0.565SS.*Hα-helixtrans-65.8-44.1176.4-67166.3000110.8V434 F435 F441 N442V434-I438 HydrophobicContact CG1-CD1 3.76Å; V434-I438 HydrophobicContact CG1-CG1 4.47Å; V434-I438 VanDerWaalsContact O-CG1 3.31Å; V434-I438 WeakPolarHBondContact O-CG1 3.5Å; V434-I438 PolarHBondContact O-N 3.44Å; F435-I438 PolarHBondContact O-N 2.77Å; I438-F441 PolarHBondContact O-N 2.89Å; I438-N442 PolarHBondContact O-N 2.92Å; I438-N442 PolarHBondContact O-ND2 2.8Å
439F78.7Confident73.2Confident156 Ų156101.8 Ų101.868%0.68457%0.567SS**Hα-helixtrans-63.2-42.7175.3-97.9-80.6000112F435 N442 Y443F435-F439 WeakPolarHBondContact O-CB 3.44Å; F435-F439 WeakPolarHBondContact O-CD2 3.25Å; F435-F439 PolarHBondContact O-N 2.85Å; F439-N442 PolarHBondContact O-N 2.89Å; F439-Y443 VanDerWaalsContact O-CB 3.3Å; F439-Y443 WeakPolarHBondContact O-CB 3.41Å; F439-Y443 PolarHBondContact O-N 2.98Å
440S75.2Confident73.7Confident59 Ų59104.3 Ų104.341%0.41357%0.571SS.*Hα-helixtrans-62.3-43.1175.1-171.80000111.2A436 S437 Y443 F444A436-S440 VanDerWaalsContact O-CB 3.28Å; A436-S440 WeakPolarHBondContact O-CB 3.48Å; A436-S440 PolarHBondContact O-N 3.36Å; S437-S440 PolarHBondContact O-N 3.37Å; S440-Y443 PolarHBondContact O-N 3.42Å; S440-F444 WeakPolarHBondContact O-CD2 3.31Å; S440-F444 PolarHBondContact O-N 2.66Å
441F73.9Confident73.8Confident148 Ų148107.4 Ų107.465%0.64958%0.578SS**Hα-helixtrans-63.7-43179.2-168.1-94.3000111.8S437 I438 F444 S445S437-F441 WeakPolarHBondContact O-CB 3.42Å; S437-F441 PolarHBondContact O-N 2.96Å; I438-F441 PolarHBondContact O-N 2.89Å; F441-F444 PolarHBondContact O-N 3.26Å; F441-S445 WeakPolarHBondContact O-CB 3.37Å; F441-S445 PolarHBondContact O-N 2.95Å; F441-S445 PolarHBondContact O-OG 3.45Å
442N69.8Low73.5Confident97 Ų97111.7 Ų111.752%0.51959%0.594SS.*Hα-helixtrans-69.7-32.7176.7-73.9-31.7000113I438 F439 F444 S445I438-N442 PolarHBondContact O-N 2.92Å; I438-N442 PolarHBondContact O-ND2 2.8Å; F439-N442 PolarHBondContact O-N 2.89Å; N442-F444 VanDerWaalsContact C-N 3.34Å; N442-S445 PolarHBondContact O-N 3.38Å
443Y73.3Confident72.8Confident185 Ų185113.2 Ų113.273%0.72560%0.597SS**Hα-helixtrans-71.4-25.9177.5-173-94.4000113.6F439 S440F439-Y443 VanDerWaalsContact O-CB 3.3Å; F439-Y443 WeakPolarHBondContact O-CB 3.41Å; F439-Y443 PolarHBondContact O-N 2.98Å; S440-Y443 PolarHBondContact O-N 3.42Å
444F63.1Low72.5Confident161 Ų161117.8 Ų117.871%0.70661%0.608SS**THydrogen-bonded Turntrans-98.54.8176.3-73.4-70.3000113.6S440 F441 N442S440-F444 WeakPolarHBondContact O-CD2 3.31Å; S440-F444 PolarHBondContact O-N 2.66Å; F441-F444 PolarHBondContact O-N 3.26Å; N442-F444 VanDerWaalsContact C-N 3.34Å
445S56.5Low71.6Confident75 Ų75120.5 Ų120.552%0.52462%0.616SS.*  trans-104.5-1.5179-60.60000113.9F441 N442F441-S445 WeakPolarHBondContact O-CB 3.37Å; F441-S445 PolarHBondContact O-N 2.95Å; F441-S445 PolarHBondContact O-OG 3.45Å; N442-S445 PolarHBondContact O-N 3.38Å
446D49.2Very low70.6Confident211 Ų211119.4 Ų119.4100%1.12862%0.619SS**  trans-103.50160.3-77.6-26.7000109

Retrieved 446 of 446 residues in 264 ms (Link to these results)

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