A0A096M2R9_POEFO Loading...

Vesicle-fusing ATPase

Required for vesicle-mediated transport. Catalyzes the fusion of transport vesicles within the Golgi cisternae. Is also required for transport from the endoplasmic reticulum to the Golgi stack. Seems to function as a fusion protein required for the delivery of cargo proteins to all compartments of the Golgi stack independent of vesicle origin.

AlphaFold DB , UniProt , Accession A0A096M2R9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 653 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
1M83.4Confident83.9Confident25 Ų2559.5 Ų59.512%0.12328%0.277CS..  01260179.1173.773.300108.3V3 F27 F36 V55 D57 I58 L84 Q89 V90 V91M1-V3 HydrophobicContact CE-CG2 3.71Å; M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; M1-F27 HydrophobicContact CE-CD1 4.49Å; M1-F27 HydrophobicContact CE-CE1 3.42Å; M1-F27 VanDerWaalsContact CE-CE1 3.42Å; M1-F27 HydrophobicContact CE-CZ 3.72Å; M1-F36 HydrophobicContact CE-CD2 4.43Å; M1-F36 HydrophobicContact SD-CB 4.09Å; M1-F36 HydrophobicContact SD-CD2 4.21Å; M1-F36 HydrophobicContact SD-CG 4.14Å; M1-V55 HydrophobicContact CG-CG1 3.94Å; M1-V55 HydrophobicContact SD-CG1 3.93Å; M1-V55 HydrophobicContact SD-CG2 4.2Å; M1-D57 CarbonylContact C-O 3.43Å; M1-D57 WeakPolarHBondContact CA-O 3.48Å; M1-I58 HydrophobicContact CG-CG1 4.27Å; M1-L84 HydrophobicContact CE-CD1 3.98Å; M1-Q89 PolarHBondContact N-O 2.81Å; M1-V90 HydrophobicContact CE-CG1 4.31Å; M1-V90 HydrophobicContact CE-CG2 4.09Å; M1-V90 WeakPolarHBondContact O-CA 3.33Å; M1-V91 PolarHBondContact O-N 3.26Å
2T86.9Confident82.6Confident22 Ų2267.4 Ų67.414%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-98.8130.2176.4-59.50000109.7K56 D57 V91 E93 I108T2-K56 HydrophobicContact CG2-CB 4.33Å; T2-K56 PolarHBondContact O-N 2.95Å; T2-D57 PolarHBondContact N-O 3.22Å; T2-V91 CarbonylContact C-O 3.5Å; T2-V91 WeakPolarHBondContact CA-O 3.47Å; T2-E93 HydrophobicContact CG2-CB 4.41Å; T2-I108 HydrophobicContact CG2-CD1 3.33Å; T2-I108 HydrophobicContact CG2-CG1 4.13Å
3V88.4Confident82.1Confident0 Ų069.1 Ų69.10%032%0.316CS..EExtended strand (participates in β ladder)trans-128.3123.6-177.6-168.70000110.3M1 L53 V54 V90 V91 F92 E93M1-V3 HydrophobicContact CE-CG2 3.71Å; M1-V3 HydrophobicContact CG-CG2 4.02Å; M1-V3 HydrophobicContact SD-CG2 4.33Å; V3-L53 HydrophobicContact CG1-CB 3.61Å; V3-L53 HydrophobicContact CG1-CD1 4.1Å; V3-L53 HydrophobicContact CG1-CD2 3.78Å; V3-L53 HydrophobicContact CG1-CG 4.02Å; V3-V54 CarbonylContact C-O 3.59Å; V3-V54 WeakPolarHBondContact CA-O 3.46Å; V3-V90 HydrophobicContact CG2-CG1 4.02Å; V3-V91 PolarHBondContact N-O 2.9Å; V3-F92 HydrophobicContact CB-CD1 4.34Å; V3-F92 CarbonylContact O-C 3.57Å; V3-F92 WeakPolarHBondContact O-CA 3.36Å; V3-E93 PolarHBondContact O-N 3.08Å
4E88.6Confident81.6Confident34 Ų3466.1 Ų66.116%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-77.2127.4171.4-172.9-177.3-174.400109.6L53 V54 K56 E93 S95E4-L53 CarbonylContact O-C 3.56Å; E4-L53 VanDerWaalsContact O-CA 3.26Å; E4-L53 WeakPolarHBondContact O-CA 3.39Å; E4-V54 HydrophobicContact CB-CB 4.33Å; E4-V54 PolarHBondContact N-O 3.49Å; E4-V54 PolarHBondContact O-N 3.2Å; E4-K56 HydrophobicContact CB-CG 4.08Å; E4-K56 WeakPolarHBondContact OE2-CE 3.38Å; E4-K56 IonicContact OE2-NZ 3.98Å; E4-K56 PolarHBondContact OE2-NZ 2.87Å; E4-E93 CarbonylContact C-O 3.59Å; E4-E93 WeakPolarHBondContact CA-O 3.48Å; E4-S95 WeakPolarHBondContact OE1-CA 3.47Å; E4-S95 WeakPolarHBondContact OE1-CB 3.3Å; E4-S95 PolarHBondContact OE1-OG 3.4Å
5I87.9Confident80.7Confident0 Ų068.5 Ų68.50%033%0.331CS..EExtended strand (participates in β ladder)trans-114.2135.2-178.5-174.1165.7000112.3M23 F51 L53 F92 E93 S95 L102I5-M23 HydrophobicContact CD1-CE 3.46Å; I5-M23 VanDerWaalsContact CD1-CE 3.46Å; I5-F51 HydrophobicContact CD1-CB 3.91Å; I5-F51 HydrophobicContact CD1-CD1 3.68Å; I5-F51 HydrophobicContact CD1-CD2 4.42Å; I5-F51 HydrophobicContact CD1-CE1 4.29Å; I5-F51 HydrophobicContact CD1-CG 3.73Å; I5-F51 HydrophobicContact CG1-CB 3.92Å; I5-F51 HydrophobicContact CG1-CD1 3.78Å; I5-F51 HydrophobicContact CG1-CG 4.07Å; I5-L53 HydrophobicContact CB-CD2 3.49Å; I5-L53 VanDerWaalsContact CB-CD2 3.49Å; I5-L53 HydrophobicContact CD1-CD2 3.8Å; I5-L53 HydrophobicContact CG1-CD2 3.52Å; I5-F92 HydrophobicContact CG2-CB 4.48Å; I5-E93 WeakPolarHBondContact CG2-O 3.45Å; I5-E93 PolarHBondContact N-O 3.29Å; I5-S95 PolarHBondContact O-N 2.87Å; I5-S95 VanDerWaalsContact O-N 3.12Å; I5-L102 HydrophobicContact CG2-CD1 3.7Å; I5-L102 HydrophobicContact CG2-CD2 4.19Å; I5-L102 HydrophobicContact CG2-CG 4.42Å
6D86.6Confident80.6Confident38 Ų3870.1 Ų70.120%0.20334%0.342CS..EExtended strand (participates in β ladder)trans-141.9161.9170.1-167.415.6000110.9L8 F51 S52 S98D6-L8 PolarHBondContact O-N 3.05Å; D6-F51 CarbonylContact O-C 3.47Å; D6-F51 VanDerWaalsContact O-CA 3.27Å; D6-F51 WeakPolarHBondContact O-CA 3.5Å; D6-S52 PolarHBondContact N-O 3.23Å; D6-S52 PolarHBondContact O-N 2.83Å; D6-S98 WeakPolarHBondContact OD1-CB 3.28Å; D6-S98 PolarHBondContact OD1-OG 3.29Å
7F85.6Confident80.5Confident9 Ų970.6 Ų70.64%0.03935%0.352CS..EExtended strand (participates in β ladder)trans-70.8126.9170.7-73-71.2000110.2Q9 I13 D14 Y18 K49 F51 V100F7-Q9 VanDerWaalsContact C-N 3.31Å; F7-Q9 PolarHBondContact O-N 3.32Å; F7-I13 HydrophobicContact CB-CG1 4.44Å; F7-I13 HydrophobicContact CD2-CB 4.33Å; F7-I13 HydrophobicContact CD2-CG1 4.05Å; F7-I13 HydrophobicContact CD2-CG2 4.14Å; F7-I13 HydrophobicContact CE2-CG2 4.05Å; F7-I13 HydrophobicContact CG-CG1 4.44Å; F7-D14 WeakPolarHBondContact CZ-OD1 3.46Å; F7-Y18 HydrophobicContact CE1-CE2 4.28Å; F7-Y18 AromaticContact CZ-CE2 3.86Å; F7-Y18 HydrophobicContact CZ-CE2 3.86Å; F7-K49 HydrophobicContact CE1-CD 4.27Å; F7-F51 HydrophobicContact CD1-CD1 4.04Å; F7-F51 AromaticContact CD1-CE1 3.6Å; F7-F51 HydrophobicContact CD1-CE1 3.6Å; F7-F51 HydrophobicContact CD1-CZ 4.33Å; F7-F51 HydrophobicContact CE1-CD1 4.25Å; F7-F51 AromaticContact CE1-CE1 3.36Å; F7-F51 HydrophobicContact CE1-CE1 3.36Å; F7-F51 AromaticContact CE1-CZ 3.82Å; F7-F51 HydrophobicContact CE1-CZ 3.82Å; F7-F51 HydrophobicContact CG-CE1 4.43Å; F7-F51 HydrophobicContact CZ-CE1 4.03Å; F7-V100 HydrophobicContact CD2-CG2 3.42Å; F7-V100 VanDerWaalsContact CD2-CG2 3.42Å; F7-V100 HydrophobicContact CE1-CG2 4.5Å; F7-V100 HydrophobicContact CE2-CB 4.24Å; F7-V100 HydrophobicContact CE2-CG2 3.25Å; F7-V100 HydrophobicContact CG-CG2 4.15Å; F7-V100 HydrophobicContact CZ-CG2 3.84Å
8L83.6Confident80.6Confident77 Ų7767.5 Ų67.540%0.40334%0.336SS..SBendtrans-64.6-39.6177.4-177.366.9000111.4D6 V43 L50D6-L8 PolarHBondContact O-N 3.05Å; L8-V43 HydrophobicContact CD1-CG2 4.37Å; L8-V43 HydrophobicContact CD2-CG1 3.89Å; L8-V43 HydrophobicContact CD2-CG2 4.01Å; L8-L50 HydrophobicContact CB-CB 4.11Å; L8-L50 WeakPolarHBondContact CB-O 3.31Å; L8-L50 HydrophobicContact CD2-CB 4.03Å; L8-L50 HydrophobicContact CD2-CD1 4.22Å; L8-L50 PolarHBondContact N-O 3.07Å
9Q81.8Confident80.8Confident94 Ų9466.6 Ų66.644%0.43933%0.332SS..  trans-109.9107-179.6-63.8-174.79.600110.8F7 K11 Y12F7-Q9 VanDerWaalsContact C-N 3.31Å; F7-Q9 PolarHBondContact O-N 3.32Å; Q9-K11 PolarHBondContact O-N 2.87Å; Q9-Y12 HydrophobicContact CB-CD2 4.06Å; Q9-Y12 PolarHBondContact O-N 3.2Å; Q9-Y12 VanDerWaalsContact O-N 3.08Å
10K76.8Confident81Confident159 Ų15963.3 Ų63.369%0.69132%0.315SS*.G310 helixtrans-61.4-11.1178.7-63.8-169.9175.8-172.90114.8I13K10-I13 HydrophobicContact CB-CD1 4.22Å; K10-I13 VanDerWaalsContact O-CD1 3.3Å; K10-I13 WeakPolarHBondContact O-CD1 3.25Å; K10-I13 WeakPolarHBondContact O-CG1 3.32Å
11K73.1Confident81.2Confident196 Ų19662.6 Ų62.685%0.85231%0.313SS*.G310 helixtrans-78.9-19.8175.6-68.4-174.5179.4-179.10113.9Q9Q9-K11 PolarHBondContact O-N 2.87Å
12Y68.9Low81.3Confident155 Ų15567.5 Ų67.561%0.60833%0.334SS*.G310 helixtrans-115.527.9-174.8-65.9-79.7000113.1Q9 D14 K49Q9-Y12 HydrophobicContact CB-CD2 4.06Å; Q9-Y12 PolarHBondContact O-N 3.2Å; Q9-Y12 VanDerWaalsContact O-N 3.08Å; Y12-D14 PolarHBondContact O-N 3.28Å; Y12-K49 PolarHBondContact O-NZ 3.36Å
13I75.4Confident81.2Confident89 Ų8966.5 Ų66.546%0.45633%0.327SS..  trans-64.8124.7175.1-60.6169.9000108.2F7 K10 A99F7-I13 HydrophobicContact CB-CG1 4.44Å; F7-I13 HydrophobicContact CD2-CB 4.33Å; F7-I13 HydrophobicContact CD2-CG1 4.05Å; F7-I13 HydrophobicContact CD2-CG2 4.14Å; F7-I13 HydrophobicContact CE2-CG2 4.05Å; F7-I13 HydrophobicContact CG-CG1 4.44Å; K10-I13 HydrophobicContact CB-CD1 4.22Å; K10-I13 VanDerWaalsContact O-CD1 3.3Å; K10-I13 WeakPolarHBondContact O-CD1 3.25Å; K10-I13 WeakPolarHBondContact O-CG1 3.32Å; I13-A99 HydrophobicContact CG2-CB 4.04Å
14D75.8Confident81.1Confident28 Ų2866.8 Ų66.815%0.1533%0.33CS..  trans-123.7162.6168.267.8-23.9000111.4F7 Y12 N16 Y18 K49F7-D14 WeakPolarHBondContact CZ-OD1 3.46Å; Y12-D14 PolarHBondContact O-N 3.28Å; D14-N16 VanDerWaalsContact C-N 3.34Å; D14-N16 WeakPolarHBondContact OD2-CB 3.45Å; D14-N16 PolarHBondContact OD2-ND2 3.25Å; D14-Y18 PolarHBondContact OD1-OH 2.93Å; D14-Y18 PolarHBondContact OD2-OH 3.4Å; D14-K49 IonicContact OD1-NZ 2.77Å; D14-K49 PolarHBondContact OD1-NZ 3.31Å; D14-K49 WeakPolarHBondContact OD2-CE 3.44Å; D14-K49 IonicContact OD2-NZ 3.43Å; D14-K49 PolarHBondContact OD2-NZ 3.27Å
15S68.3Low81Confident101 Ų10168.3 Ų68.371%0.70634%0.344SS*.  trans-94.413.1176.1520000112.9
16N78.6Confident81Confident95 Ų9570.6 Ų70.651%0.50836%0.355SS..PPolyproline II helixtrans-67.7138.5-179.8-72.2-36.2000110.5D14 Y18D14-N16 VanDerWaalsContact C-N 3.34Å; D14-N16 WeakPolarHBondContact OD2-CB 3.45Å; D14-N16 PolarHBondContact OD2-ND2 3.25Å; N16-Y18 WeakPolarHBondContact O-CD2 3.09Å; N16-Y18 WeakPolarHBondContact O-CE2 3.4Å
17P78.6Confident81.1Confident78 Ų7868.8 Ų68.851%0.50635%0.345SS..EExtended strand (participates in β ladder)trans-74.7130.2176.228.1-31.9000111.6V101 I103P17-V101 WeakPolarHBondContact CA-O 3.35Å; P17-V101 HydrophobicContact CB-CG1 4.3Å; P17-I103 HydrophobicContact CB-CD1 3.22Å; P17-I103 HydrophobicContact CB-CG1 3.67Å; P17-I103 HydrophobicContact CG-CD1 4.11Å
18Y83.3Confident81.2Confident15 Ų1570.1 Ų70.16%0.05935%0.353CS..EExtended strand (participates in β ladder)trans-103.6126.7175.6-61.5-85.5000111.1F7 D14 N16 T20 M23 Y46 K49 F51 V100 V101 I103F7-Y18 HydrophobicContact CE1-CE2 4.28Å; F7-Y18 AromaticContact CZ-CE2 3.86Å; F7-Y18 HydrophobicContact CZ-CE2 3.86Å; D14-Y18 PolarHBondContact OD1-OH 2.93Å; D14-Y18 PolarHBondContact OD2-OH 3.4Å; N16-Y18 WeakPolarHBondContact O-CD2 3.09Å; N16-Y18 WeakPolarHBondContact O-CE2 3.4Å; Y18-T20 PolarHBondContact O-N 3.31Å; Y18-M23 HydrophobicContact CG-SD 4.5Å; Y18-Y46 AromaticContact CD1-CD1 3.85Å; Y18-Y46 HydrophobicContact CD1-CD1 3.85Å; Y18-Y46 AromaticContact CD1-CE1 3.94Å; Y18-Y46 HydrophobicContact CD1-CE1 3.94Å; Y18-Y46 HydrophobicContact CE1-CD1 4.45Å; Y18-K49 HydrophobicContact CE1-CD 4.45Å; Y18-K49 WeakPolarHBondContact OH-CD 3.31Å; Y18-K49 WeakPolarHBondContact OH-CE 3.43Å; Y18-K49 PolarHBondContact OH-NZ 3.01Å; Y18-F51 HydrophobicContact CD1-CZ 4.05Å; Y18-F51 HydrophobicContact CD2-CZ 4.39Å; Y18-F51 HydrophobicContact CE1-CE2 4.36Å; Y18-F51 AromaticContact CE1-CZ 3.72Å; Y18-F51 HydrophobicContact CE1-CZ 3.72Å; Y18-F51 HydrophobicContact CE2-CE1 4.45Å; Y18-F51 HydrophobicContact CE2-CZ 4.1Å; Y18-F51 HydrophobicContact CG-CZ 4.37Å; Y18-F51 AromaticContact CZ-CZ 3.75Å; Y18-V100 HydrophobicContact CD2-CG1 4.15Å; Y18-V101 PolarHBondContact N-O 3.48Å; Y18-I103 PolarHBondContact O-N 3.01Å
19D84.3Confident81.3Confident50 Ų5073.9 Ų73.927%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-78.4103.4179.3-175.2-7.8000111.1D21 K22 M23 I103D19-D21 VanDerWaalsContact C-N 3.26Å; D19-D21 PolarHBondContact O-N 2.93Å; D19-D21 PolarHBondContact OD1-N 3.5Å; D19-D21 VanDerWaalsContact OD1-N 3.11Å; D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 HydrophobicContact CB-CD 4.25Å; D19-K22 HydrophobicContact CB-CG 4.4Å; D19-K22 PolarHBondContact O-N 3.09Å; D19-K22 WeakPolarHBondContact OD2-CD 3.37Å; D19-K22 VanDerWaalsContact OD2-CE 3.29Å; D19-K22 WeakPolarHBondContact OD2-CE 3.34Å; D19-K22 WeakPolarHBondContact OD2-CG 3.16Å; D19-K22 IonicContact OD2-NZ 3.64Å; D19-M23 VanDerWaalsContact O-CG 3.28Å; D19-M23 WeakPolarHBondContact O-CG 3.38Å; D19-M23 PolarHBondContact O-N 3.47Å; D19-I103 CarbonylContact C-O 3.59Å; D19-I103 WeakPolarHBondContact CA-O 3.36Å
20T84.5Confident81.6Confident0 Ų075.4 Ų75.40%037%0.37CS..Hα-helixtrans-61.7-27.9-178.553.30000113.7Y18 A24 F92 L102 I103 G104 K107Y18-T20 PolarHBondContact O-N 3.31Å; T20-A24 WeakPolarHBondContact O-CB 3.43Å; T20-A24 PolarHBondContact O-N 2.77Å; T20-F92 HydrophobicContact CG2-CB 4.36Å; T20-F92 HydrophobicContact CG2-CD2 4.29Å; T20-L102 HydrophobicContact CG2-CB 3.72Å; T20-L102 HydrophobicContact CG2-CD1 4.37Å; T20-L102 HydrophobicContact CG2-CD2 3.94Å; T20-L102 HydrophobicContact CG2-CG 4.21Å; T20-I103 WeakPolarHBondContact CB-O 3.2Å; T20-I103 WeakPolarHBondContact CG2-O 2.99Å; T20-I103 PolarHBondContact N-O 3.44Å; T20-I103 PolarHBondContact OG1-O 3.31Å; T20-G104 WeakPolarHBondContact OG1-CA 3.29Å; T20-K107 HydrophobicContact CG2-CB 4.38Å
21D84.3Confident82.1Confident50 Ų5069.3 Ų69.327%0.26734%0.343SS..Hα-helixtrans-74.1-38.2-179.6-64.4-28.4000110.5D19 S25 K105 S106D19-D21 VanDerWaalsContact C-N 3.26Å; D19-D21 PolarHBondContact O-N 2.93Å; D19-D21 PolarHBondContact OD1-N 3.5Å; D19-D21 VanDerWaalsContact OD1-N 3.11Å; D21-S25 WeakPolarHBondContact O-CB 3.5Å; D21-S25 PolarHBondContact O-N 3.39Å; D21-S25 VanDerWaalsContact O-N 3.12Å; D21-S25 PolarHBondContact O-OG 3.36Å; D21-K105 PolarHBondContact OD1-N 2.97Å; D21-K105 VanDerWaalsContact OD1-N 3.09Å; D21-K105 PolarHBondContact OD2-N 3.11Å; D21-K105 VanDerWaalsContact OD2-N 3.1Å; D21-S106 VanDerWaalsContact OD1-CB 3.29Å; D21-S106 WeakPolarHBondContact OD1-CB 3.38Å; D21-S106 PolarHBondContact OD1-N 3.45Å; D21-S106 PolarHBondContact OD1-OG 3.3Å
22K85.4Confident82.7Confident128 Ų12865.5 Ų65.556%0.55733%0.327SS*.Hα-helixtrans-69.7-43.4171.5-68.2-179.6-173.3173.60111.5D19 A24 S25 E26D19-K22 HydrophobicContact CB-CB 4.35Å; D19-K22 HydrophobicContact CB-CD 4.25Å; D19-K22 HydrophobicContact CB-CG 4.4Å; D19-K22 PolarHBondContact O-N 3.09Å; D19-K22 WeakPolarHBondContact OD2-CD 3.37Å; D19-K22 VanDerWaalsContact OD2-CE 3.29Å; D19-K22 WeakPolarHBondContact OD2-CE 3.34Å; D19-K22 WeakPolarHBondContact OD2-CG 3.16Å; D19-K22 IonicContact OD2-NZ 3.64Å; K22-A24 VanDerWaalsContact C-N 3.33Å; K22-A24 PolarHBondContact O-N 3.45Å; K22-S25 PolarHBondContact O-N 3.09Å; K22-E26 PolarHBondContact O-N 3.14Å
23M86.1Confident83.5Confident0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-60.4-42.5175.9-70.1176.874.500111.9I5 Y18 D19 S25 E26 F27 F44 Y46 F92I5-M23 HydrophobicContact CD1-CE 3.46Å; I5-M23 VanDerWaalsContact CD1-CE 3.46Å; Y18-M23 HydrophobicContact CG-SD 4.5Å; D19-M23 VanDerWaalsContact O-CG 3.28Å; D19-M23 WeakPolarHBondContact O-CG 3.38Å; D19-M23 PolarHBondContact O-N 3.47Å; M23-S25 VanDerWaalsContact C-N 3.34Å; M23-E26 PolarHBondContact O-N 3.24Å; M23-F27 WeakPolarHBondContact O-CB 3.42Å; M23-F27 PolarHBondContact O-N 3.3Å; M23-F44 HydrophobicContact CB-CE1 4.41Å; M23-F44 HydrophobicContact CE-CD1 4.32Å; M23-F44 HydrophobicContact CE-CE1 4.01Å; M23-Y46 HydrophobicContact CB-CE2 4.46Å; M23-Y46 HydrophobicContact CE-CD1 4.36Å; M23-Y46 HydrophobicContact CE-CG 4.47Å; M23-Y46 HydrophobicContact CG-CD1 3.71Å; M23-Y46 HydrophobicContact CG-CD2 3.84Å; M23-Y46 HydrophobicContact CG-CE1 3.55Å; M23-Y46 HydrophobicContact CG-CE2 3.69Å; M23-Y46 HydrophobicContact CG-CG 3.86Å; M23-Y46 HydrophobicContact SD-CD1 4.14Å; M23-Y46 HydrophobicContact SD-CE1 4.17Å; M23-F92 HydrophobicContact CB-CE2 3.93Å; M23-F92 HydrophobicContact CB-CZ 4.21Å
24A86.4Confident84.2Confident6 Ų662.8 Ų62.85%0.0532%0.321CS..Hα-helixtrans-63.7-42.2177.400000111T20 K22 F27 L28 V90 F92T20-A24 WeakPolarHBondContact O-CB 3.43Å; T20-A24 PolarHBondContact O-N 2.77Å; K22-A24 VanDerWaalsContact C-N 3.33Å; K22-A24 PolarHBondContact O-N 3.45Å; A24-F27 PolarHBondContact O-N 3Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.27Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.06Å; A24-V90 HydrophobicContact CB-CB 4.43Å; A24-F92 HydrophobicContact CB-CE2 3.91Å
25S86.1Confident84.8Confident67 Ų6764.4 Ų64.447%0.46934%0.339SS..Hα-helixtrans-62.8-45.9177.1-58.20000111.8D21 K22 M23 L28 Q29D21-S25 WeakPolarHBondContact O-CB 3.5Å; D21-S25 PolarHBondContact O-N 3.39Å; D21-S25 VanDerWaalsContact O-N 3.12Å; D21-S25 PolarHBondContact O-OG 3.36Å; K22-S25 PolarHBondContact O-N 3.09Å; M23-S25 VanDerWaalsContact C-N 3.34Å; S25-L28 PolarHBondContact O-N 3.11Å; S25-Q29 WeakPolarHBondContact O-CG 3.41Å; S25-Q29 PolarHBondContact O-N 3.19Å
26E88.4Confident85.8Confident47 Ų4759.8 Ų59.822%0.2231%0.306CS..Hα-helixtrans-69-36.7177.7-172.9172.8165.200112.2K22 M23 Q29 R30 F44 Y46K22-E26 PolarHBondContact O-N 3.14Å; M23-E26 PolarHBondContact O-N 3.24Å; E26-Q29 PolarHBondContact O-N 3.22Å; E26-R30 WeakPolarHBondContact O-CG 3.41Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 IonicContact OE1-CZ 3.7Å; E26-R30 IonicContact OE1-NE 3.25Å; E26-R30 IonicContact OE1-NH1 2.93Å; E26-R30 IonicContact OE1-NH2 3.05Å; E26-R30 PolarHBondContact OE1-NH2 3.09Å; E26-F44 HydrophobicContact CB-CZ 4.36Å; E26-F44 HydrophobicContact CG-CZ 4.35Å; E26-Y46 WeakPolarHBondContact OE2-CD2 3.5Å; E26-Y46 WeakPolarHBondContact OE2-CE2 3.24Å
27F88.5Confident86.4Confident0 Ų057.5 Ų57.50%030%0.298CS..Hα-helixtrans-60.9-47.2174-175-81.9000111.1M1 M23 A24 Q29 R30 F31 F36 L42 F44 L53 L84 V90 F92M1-F27 HydrophobicContact CE-CD1 4.49Å; M1-F27 HydrophobicContact CE-CE1 3.42Å; M1-F27 VanDerWaalsContact CE-CE1 3.42Å; M1-F27 HydrophobicContact CE-CZ 3.72Å; M23-F27 WeakPolarHBondContact O-CB 3.42Å; M23-F27 PolarHBondContact O-N 3.3Å; A24-F27 PolarHBondContact O-N 3Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 3.04Å; F27-R30 PolarHBondContact O-N 3.29Å; F27-F31 HydrophobicContact CD1-CD2 4.01Å; F27-F31 AromaticContact CD2-CD2 3.5Å; F27-F31 HydrophobicContact CD2-CD2 3.5Å; F27-F31 AromaticContact CD2-CE2 3.6Å; F27-F31 HydrophobicContact CD2-CE2 3.6Å; F27-F31 HydrophobicContact CE1-CB 4.27Å; F27-F31 AromaticContact CE1-CD2 3.9Å; F27-F31 HydrophobicContact CE1-CD2 3.9Å; F27-F31 HydrophobicContact CE1-CG 4.45Å; F27-F31 AromaticContact CE2-CD2 3.37Å; F27-F31 HydrophobicContact CE2-CD2 3.37Å; F27-F31 AromaticContact CE2-CE2 3.43Å; F27-F31 HydrophobicContact CE2-CE2 3.43Å; F27-F31 VanDerWaalsContact CE2-CE2 3.43Å; F27-F31 HydrophobicContact CE2-CG 4.41Å; F27-F31 AromaticContact CG-CD2 3.82Å; F27-F31 HydrophobicContact CG-CD2 3.82Å; F27-F31 HydrophobicContact CG-CE2 4.34Å; F27-F31 AromaticContact CZ-CD2 3.59Å; F27-F31 HydrophobicContact CZ-CD2 3.59Å; F27-F31 HydrophobicContact CZ-CE2 4.07Å; F27-F31 HydrophobicContact CZ-CG 4.26Å; F27-F31 WeakPolarHBondContact O-CB 3.42Å; F27-F31 WeakPolarHBondContact O-CD2 3.3Å; F27-F31 PolarHBondContact O-N 3.45Å; F27-F36 HydrophobicContact CZ-CZ 4.2Å; F27-L42 HydrophobicContact CE2-CD1 3.85Å; F27-L42 HydrophobicContact CZ-CD1 4.18Å; F27-F44 HydrophobicContact CB-CE2 4.2Å; F27-F44 HydrophobicContact CB-CZ 4.15Å; F27-F44 HydrophobicContact CD2-CD2 4.05Å; F27-F44 HydrophobicContact CD2-CE2 4.2Å; F27-F44 HydrophobicContact CD2-CG 4.26Å; F27-L53 HydrophobicContact CD2-CD1 3.93Å; F27-L53 HydrophobicContact CE2-CD1 3.49Å; F27-L53 VanDerWaalsContact CE2-CD1 3.49Å; F27-L84 HydrophobicContact CD1-CD2 4.13Å; F27-L84 HydrophobicContact CE1-CD2 3.8Å; F27-V90 HydrophobicContact CD1-CB 4.48Å; F27-V90 HydrophobicContact CD1-CG1 4.21Å; F27-V90 HydrophobicContact CD1-CG2 3.8Å; F27-V90 HydrophobicContact CE1-CG1 4.43Å; F27-V90 HydrophobicContact CE1-CG2 4.1Å; F27-F92 HydrophobicContact CB-CZ 4.27Å; F27-F92 HydrophobicContact CD2-CZ 4.45Å; F27-F92 HydrophobicContact CG-CZ 4.4Å
28L87.4Confident86.9Confident38 Ų3855.9 Ų55.920%0.19929%0.286CS..Hα-helixtrans-62.5-39.9176-73.1168.8000112.1A24 S25 F32 L84 S88 V90A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 VanDerWaalsContact O-CG 3.27Å; A24-L28 WeakPolarHBondContact O-CG 3.34Å; A24-L28 PolarHBondContact O-N 3.06Å; S25-L28 PolarHBondContact O-N 3.11Å; L28-F32 WeakPolarHBondContact O-CA 3.39Å; L28-F32 WeakPolarHBondContact O-CB 3.3Å; L28-F32 PolarHBondContact O-N 3.45Å; L28-F32 VanDerWaalsContact O-N 3.12Å; L28-L84 HydrophobicContact CD2-CD1 4.03Å; L28-L84 HydrophobicContact CD2-CD2 3.91Å; L28-L84 HydrophobicContact CD2-CG 3.91Å; L28-S88 WeakPolarHBondContact CD1-O 3.27Å; L28-S88 WeakPolarHBondContact CD2-O 3.43Å; L28-V90 HydrophobicContact CD2-CG2 4.01Å; L28-V90 HydrophobicContact CG-CG2 4.26Å
29Q85.9Confident87.2Confident156 Ų15660.3 Ų60.373%0.72931%0.311SS*.Hα-helixtrans-64-41177.4-75.81771.500112.5S25 E26 F27S25-Q29 WeakPolarHBondContact O-CG 3.41Å; S25-Q29 PolarHBondContact O-N 3.19Å; E26-Q29 PolarHBondContact O-N 3.22Å; F27-Q29 VanDerWaalsContact C-N 3.34Å; F27-Q29 PolarHBondContact O-N 3.04Å
30R86.8Confident87.5Confident125 Ų12561.2 Ų61.247%0.47231%0.313SS..Hα-helixtrans-80.5-36.7-177.3-72.5-169.4178.8159.38.9113.9E26 F27 S45E26-R30 WeakPolarHBondContact O-CG 3.41Å; E26-R30 PolarHBondContact O-N 3.31Å; E26-R30 IonicContact OE1-CZ 3.7Å; E26-R30 IonicContact OE1-NE 3.25Å; E26-R30 IonicContact OE1-NH1 2.93Å; E26-R30 IonicContact OE1-NH2 3.05Å; E26-R30 PolarHBondContact OE1-NH2 3.09Å; F27-R30 PolarHBondContact O-N 3.29Å; R30-S45 PolarHBondContact NH1-O 2.72Å
31F87.8Confident87.8Confident31 Ų3168.2 Ų68.214%0.13635%0.346CS..SBendtrans-104.719.4-174.7-61.2-64.9000113.2F27 N33 Q34 F36 L42 F44 L84F27-F31 HydrophobicContact CD1-CD2 4.01Å; F27-F31 AromaticContact CD2-CD2 3.5Å; F27-F31 HydrophobicContact CD2-CD2 3.5Å; F27-F31 AromaticContact CD2-CE2 3.6Å; F27-F31 HydrophobicContact CD2-CE2 3.6Å; F27-F31 HydrophobicContact CE1-CB 4.27Å; F27-F31 AromaticContact CE1-CD2 3.9Å; F27-F31 HydrophobicContact CE1-CD2 3.9Å; F27-F31 HydrophobicContact CE1-CG 4.45Å; F27-F31 AromaticContact CE2-CD2 3.37Å; F27-F31 HydrophobicContact CE2-CD2 3.37Å; F27-F31 AromaticContact CE2-CE2 3.43Å; F27-F31 HydrophobicContact CE2-CE2 3.43Å; F27-F31 VanDerWaalsContact CE2-CE2 3.43Å; F27-F31 HydrophobicContact CE2-CG 4.41Å; F27-F31 AromaticContact CG-CD2 3.82Å; F27-F31 HydrophobicContact CG-CD2 3.82Å; F27-F31 HydrophobicContact CG-CE2 4.34Å; F27-F31 AromaticContact CZ-CD2 3.59Å; F27-F31 HydrophobicContact CZ-CD2 3.59Å; F27-F31 HydrophobicContact CZ-CE2 4.07Å; F27-F31 HydrophobicContact CZ-CG 4.26Å; F27-F31 WeakPolarHBondContact O-CB 3.42Å; F27-F31 WeakPolarHBondContact O-CD2 3.3Å; F27-F31 PolarHBondContact O-N 3.45Å; F31-N33 PolarHBondContact O-N 3.33Å; F31-Q34 VanDerWaalsContact CD1-OE1 3.3Å; F31-Q34 WeakPolarHBondContact O-CB 3.44Å; F31-Q34 PolarHBondContact O-N 3.42Å; F31-F36 HydrophobicContact CB-CE2 4.01Å; F31-F36 HydrophobicContact CB-CZ 3.79Å; F31-F36 HydrophobicContact CD1-CZ 4.09Å; F31-F36 AromaticContact CG-CZ 3.95Å; F31-F36 HydrophobicContact CG-CZ 3.95Å; F31-L42 HydrophobicContact CE1-CD1 4.48Å; F31-L42 HydrophobicContact CE2-CD1 4.09Å; F31-L42 HydrophobicContact CZ-CD1 3.93Å; F31-F44 AromaticContact CE2-CD2 3.72Å; F31-F44 HydrophobicContact CE2-CD2 3.72Å; F31-F44 HydrophobicContact CE2-CE2 4.36Å; F31-F44 HydrophobicContact CZ-CD2 4.43Å; F31-L84 HydrophobicContact CB-CD2 3.9Å; F31-L84 WeakPolarHBondContact O-CD2 3.06Å
32F86Confident88.1Confident116 Ų11666.9 Ų66.951%0.50934%0.339SS..THydrogen-bonded Turntrans-55.5133.7176.4-178.7-106.8000111.3L28 Q34 A86L28-F32 WeakPolarHBondContact O-CA 3.39Å; L28-F32 WeakPolarHBondContact O-CB 3.3Å; L28-F32 PolarHBondContact O-N 3.45Å; L28-F32 VanDerWaalsContact O-N 3.12Å; F32-Q34 PolarHBondContact O-N 3.46Å; F32-A86 HydrophobicContact CD2-CB 4.38Å; F32-A86 HydrophobicContact CE2-CB 3.76Å
33N86.5Confident88.4Confident101 Ų10164.2 Ų64.254%0.5433%0.333SS..THydrogen-bonded Turntrans6225.6177.8-157.834000114.7F31 L84F31-N33 PolarHBondContact O-N 3.33Å; N33-L84 WeakPolarHBondContact CA-O 3.29Å; N33-L84 PolarHBondContact N-O 3.49Å
34Q88.7Confident88.6Confident86 Ų8664.2 Ų64.240%0.40233%0.333SS..  trans-99.6145.2172.1-63.1-169.411.200111.8F31 F32 F36 L84F31-Q34 VanDerWaalsContact CD1-OE1 3.3Å; F31-Q34 WeakPolarHBondContact O-CB 3.44Å; F31-Q34 PolarHBondContact O-N 3.42Å; F32-Q34 PolarHBondContact O-N 3.46Å; Q34-F36 HydrophobicContact CB-CE2 4Å; Q34-F36 HydrophobicContact CB-CZ 4.28Å; Q34-L84 PolarHBondContact O-N 3.35Å
35A88.4Confident88.6Confident63 Ų6366 Ų6652%0.52135%0.345SS..EExtended strand (participates in β ladder)trans-86.8130.5176.100000110.3G82A35-G82 WeakPolarHBondContact CA-O 3.27Å
36F90.9Very high88.6Confident4 Ų463.9 Ų63.92%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-118.1139.1175.5-69.5-76.6000110.7M1 F27 F31 Q34 Q40 L42 V55 I58 V81 G82 L84M1-F36 HydrophobicContact CE-CD2 4.43Å; M1-F36 HydrophobicContact SD-CB 4.09Å; M1-F36 HydrophobicContact SD-CD2 4.21Å; M1-F36 HydrophobicContact SD-CG 4.14Å; F27-F36 HydrophobicContact CZ-CZ 4.2Å; F31-F36 HydrophobicContact CB-CE2 4.01Å; F31-F36 HydrophobicContact CB-CZ 3.79Å; F31-F36 HydrophobicContact CD1-CZ 4.09Å; F31-F36 AromaticContact CG-CZ 3.95Å; F31-F36 HydrophobicContact CG-CZ 3.95Å; Q34-F36 HydrophobicContact CB-CE2 4Å; Q34-F36 HydrophobicContact CB-CZ 4.28Å; F36-Q40 VanDerWaalsContact CA-OE1 3.32Å; F36-L42 HydrophobicContact CD1-CD2 4.02Å; F36-L42 HydrophobicContact CE1-CD1 4.21Å; F36-L42 HydrophobicContact CE1-CD2 3.79Å; F36-V55 HydrophobicContact CB-CG2 4.45Å; F36-V55 HydrophobicContact CD1-CG2 4.18Å; F36-I58 HydrophobicContact CB-CD1 4.22Å; F36-I58 VanDerWaalsContact O-CD1 3.25Å; F36-I58 WeakPolarHBondContact O-CD1 3.35Å; F36-V81 CarbonylContact O-C 3.52Å; F36-V81 WeakPolarHBondContact O-CA 3.38Å; F36-G82 PolarHBondContact N-O 3.01Å; F36-G82 PolarHBondContact O-N 2.99Å; F36-L84 HydrophobicContact CD2-CB 4.11Å; F36-L84 HydrophobicContact CE2-CB 4.04Å; F36-L84 HydrophobicContact CE2-CD2 4.03Å
37S90.5Very high88.2Confident47 Ų4765.6 Ų65.633%0.32934%0.344SS..EExtended strand (participates in β ladder)trans-104.1151.1170.3-52.80000110.6Q40 V55 K80S37-Q40 WeakPolarHBondContact O-CB 3.34Å; S37-Q40 PolarHBondContact O-N 3.38Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; S37-V55 WeakPolarHBondContact O-CB 3.22Å; S37-K80 CarbonylContact C-O 3.51Å; S37-K80 WeakPolarHBondContact CA-O 3.3Å
38V89.8Confident87.8Confident43 Ų4374.9 Ų74.926%0.26139%0.388SS..THydrogen-bonded Turntrans-58.4140166175.90000109.1Q40 K56 I58 K80V38-Q40 PolarHBondContact O-N 3.25Å; V38-K56 VanDerWaalsContact CG1-O 3.3Å; V38-K56 WeakPolarHBondContact CG1-O 3.34Å; V38-I58 HydrophobicContact CG2-CD1 4.19Å; V38-I58 HydrophobicContact CG2-CG1 4.03Å; V38-K80 PolarHBondContact N-O 3.38Å
39D89.6Confident87.6Confident109 Ų10975.5 Ų75.558%0.58339%0.389SS*.THydrogen-bonded Turntrans66.28.4-172.3-58.3-45.9000116.1Q41 V55D39-Q41 PolarHBondContact O-N 2.8Å; D39-V55 WeakPolarHBondContact CA-O 3.41Å; D39-V55 PolarHBondContact N-O 2.9Å
40Q90.3Very high87.6Confident69 Ų6971.6 Ų71.632%0.32237%0.372SS..  trans-67.7128.1174.1-175173.8-9.200110.9F36 S37 V38 V54 V55F36-Q40 VanDerWaalsContact CA-OE1 3.32Å; S37-Q40 WeakPolarHBondContact O-CB 3.34Å; S37-Q40 PolarHBondContact O-N 3.38Å; S37-Q40 VanDerWaalsContact O-N 3.16Å; V38-Q40 PolarHBondContact O-N 3.25Å; Q40-V54 WeakPolarHBondContact O-CA 3.39Å; Q40-V55 HydrophobicContact CB-CG2 4.49Å; Q40-V55 PolarHBondContact O-N 3.3Å
41Q90.4Very high87.7Confident146 Ų14665.6 Ų65.668%0.68235%0.35SS*.EExtended strand (participates in β ladder)trans-92.9136.9172.7-58.7-167.2-23.300110.6D39 L53 V54D39-Q41 PolarHBondContact O-N 2.8Å; Q41-L53 CarbonylContact C-O 3.47Å; Q41-L53 VanDerWaalsContact CA-O 3.32Å; Q41-L53 WeakPolarHBondContact CA-O 3.03Å; Q41-V54 HydrophobicContact CG-CG1 4.42Å; Q41-V54 HydrophobicContact CG-CG2 4.06Å
42L90.8Very high87.7Confident22 Ų2265.5 Ų65.512%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-146.3163.3175.457.3130.1000110.8F27 F31 F36 L53 V55F27-L42 HydrophobicContact CE2-CD1 3.85Å; F27-L42 HydrophobicContact CZ-CD1 4.18Å; F31-L42 HydrophobicContact CE1-CD1 4.48Å; F31-L42 HydrophobicContact CE2-CD1 4.09Å; F31-L42 HydrophobicContact CZ-CD1 3.93Å; F36-L42 HydrophobicContact CD1-CD2 4.02Å; F36-L42 HydrophobicContact CE1-CD1 4.21Å; F36-L42 HydrophobicContact CE1-CD2 3.79Å; L42-L53 HydrophobicContact CD1-CB 4.11Å; L42-L53 HydrophobicContact CD1-CD1 3.92Å; L42-L53 HydrophobicContact CD2-CB 4.43Å; L42-L53 HydrophobicContact CG-CB 3.84Å; L42-L53 PolarHBondContact N-O 3.43Å; L42-L53 PolarHBondContact O-N 3.43Å; L42-V55 HydrophobicContact CD2-CG2 3.82Å
43V90.7Very high87.9Confident72 Ų7260 Ų6044%0.43633%0.329SS..EExtended strand (participates in β ladder)trans-109.4130.5177-179.40000108.9L8 L50 F51L8-V43 HydrophobicContact CD1-CG2 4.37Å; L8-V43 HydrophobicContact CD2-CG1 3.89Å; L8-V43 HydrophobicContact CD2-CG2 4.01Å; V43-L50 HydrophobicContact CG1-CB 4.23Å; V43-L50 HydrophobicContact CG1-CD2 4.03Å; V43-F51 CarbonylContact C-O 3.58Å; V43-F51 VanDerWaalsContact CA-O 3.29Å; V43-F51 WeakPolarHBondContact CA-O 3.18Å
44F89.9Confident88.1Confident1 Ų156.2 Ų56.20%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-117.8126.1176.9177.1-122.7000110M23 E26 F27 F31 Y46 F51 L53M23-F44 HydrophobicContact CB-CE1 4.41Å; M23-F44 HydrophobicContact CE-CD1 4.32Å; M23-F44 HydrophobicContact CE-CE1 4.01Å; E26-F44 HydrophobicContact CB-CZ 4.36Å; E26-F44 HydrophobicContact CG-CZ 4.35Å; F27-F44 HydrophobicContact CB-CE2 4.2Å; F27-F44 HydrophobicContact CB-CZ 4.15Å; F27-F44 HydrophobicContact CD2-CD2 4.05Å; F27-F44 HydrophobicContact CD2-CE2 4.2Å; F27-F44 HydrophobicContact CD2-CG 4.26Å; F31-F44 AromaticContact CE2-CD2 3.72Å; F31-F44 HydrophobicContact CE2-CD2 3.72Å; F31-F44 HydrophobicContact CE2-CE2 4.36Å; F31-F44 HydrophobicContact CZ-CD2 4.43Å; F44-Y46 HydrophobicContact CE1-CD2 4.27Å; F44-Y46 HydrophobicContact CE1-CG 4.23Å; F44-Y46 HydrophobicContact CZ-CD2 4.27Å; F44-F51 PolarHBondContact N-O 2.98Å; F44-F51 PolarHBondContact O-N 3.34Å; F44-L53 HydrophobicContact CB-CD1 3.36Å; F44-L53 HydrophobicContact CB-CG 3.93Å; F44-L53 HydrophobicContact CD1-CD1 4.29Å; F44-L53 HydrophobicContact CG-CD1 4.01Å
45S88.3Confident88.2Confident44 Ų4452.1 Ų52.131%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-91.9126.9173.5-175.60000110.2R30 K49R30-S45 PolarHBondContact NH1-O 2.72Å; S45-K49 CarbonylContact C-O 3.56Å; S45-K49 WeakPolarHBondContact CA-O 3.26Å; S45-K49 PolarHBondContact OG-O 3.37Å
46Y84.8Confident88.1Confident22 Ų2253.2 Ų53.29%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-142.7130.2174.9-179.1-102.7000109.4Y18 M23 E26 F44 E48 K49Y18-Y46 AromaticContact CD1-CD1 3.85Å; Y18-Y46 HydrophobicContact CD1-CD1 3.85Å; Y18-Y46 AromaticContact CD1-CE1 3.94Å; Y18-Y46 HydrophobicContact CD1-CE1 3.94Å; Y18-Y46 HydrophobicContact CE1-CD1 4.45Å; M23-Y46 HydrophobicContact CB-CE2 4.46Å; M23-Y46 HydrophobicContact CE-CD1 4.36Å; M23-Y46 HydrophobicContact CE-CG 4.47Å; M23-Y46 HydrophobicContact CG-CD1 3.71Å; M23-Y46 HydrophobicContact CG-CD2 3.84Å; M23-Y46 HydrophobicContact CG-CE1 3.55Å; M23-Y46 HydrophobicContact CG-CE2 3.69Å; M23-Y46 HydrophobicContact CG-CG 3.86Å; M23-Y46 HydrophobicContact SD-CD1 4.14Å; M23-Y46 HydrophobicContact SD-CE1 4.17Å; E26-Y46 WeakPolarHBondContact OE2-CD2 3.5Å; E26-Y46 WeakPolarHBondContact OE2-CE2 3.24Å; F44-Y46 HydrophobicContact CE1-CD2 4.27Å; F44-Y46 HydrophobicContact CE1-CG 4.23Å; F44-Y46 HydrophobicContact CZ-CD2 4.27Å; Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 2.89Å; Y46-K49 PolarHBondContact N-O 2.95Å; Y46-K49 PolarHBondContact O-N 3.12Å
47S80.8Confident87.9Confident83 Ų8354.8 Ų54.858%0.5829%0.292SS*.THydrogen-bonded Turntrans46.649.7-176.2-59.80000113.4K49S47-K49 PolarHBondContact O-N 2.85Å; S47-K49 VanDerWaalsContact O-N 3.16Å
48E79.1Confident87.8Confident195 Ų19553 Ų5391%0.91128%0.279SS*.THydrogen-bonded Turntrans63.911.7-179.1-54.9-174.4166.800115.9Y46Y46-E48 VanDerWaalsContact C-N 3.3Å; Y46-E48 PolarHBondContact O-N 2.89Å
49K83.1Confident87.6Confident51 Ų5154.5 Ų54.522%0.22229%0.285CS..EExtended strand (participates in β ladder)trans-110.7154.1175.1-69.2-175.9173.4-141.40112.3F7 Y12 D14 Y18 S45 Y46 S47 F51F7-K49 HydrophobicContact CE1-CD 4.27Å; Y12-K49 PolarHBondContact O-NZ 3.36Å; D14-K49 IonicContact OD1-NZ 2.77Å; D14-K49 PolarHBondContact OD1-NZ 3.31Å; D14-K49 WeakPolarHBondContact OD2-CE 3.44Å; D14-K49 IonicContact OD2-NZ 3.43Å; D14-K49 PolarHBondContact OD2-NZ 3.27Å; Y18-K49 HydrophobicContact CE1-CD 4.45Å; Y18-K49 WeakPolarHBondContact OH-CD 3.31Å; Y18-K49 WeakPolarHBondContact OH-CE 3.43Å; Y18-K49 PolarHBondContact OH-NZ 3.01Å; S45-K49 CarbonylContact C-O 3.56Å; S45-K49 WeakPolarHBondContact CA-O 3.26Å; S45-K49 PolarHBondContact OG-O 3.37Å; Y46-K49 PolarHBondContact N-O 2.95Å; Y46-K49 PolarHBondContact O-N 3.12Å; S47-K49 PolarHBondContact O-N 2.85Å; S47-K49 VanDerWaalsContact O-N 3.16Å; K49-F51 HydrophobicContact CB-CE2 4.03Å; K49-F51 HydrophobicContact CB-CZ 4.31Å
50L87.1Confident87.2Confident73 Ų7350.7 Ų50.738%0.38227%0.269SS..EExtended strand (participates in β ladder)trans-107.8121.4179.9-62.7175.6000110.5L8 V43L8-L50 HydrophobicContact CB-CB 4.11Å; L8-L50 WeakPolarHBondContact CB-O 3.31Å; L8-L50 HydrophobicContact CD2-CB 4.03Å; L8-L50 HydrophobicContact CD2-CD1 4.22Å; L8-L50 PolarHBondContact N-O 3.07Å; V43-L50 HydrophobicContact CG1-CB 4.23Å; V43-L50 HydrophobicContact CG1-CD2 4.03Å
51F88Confident86.3Confident0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-107.4136.8176-64.1-79000110.1I5 D6 F7 Y18 V43 F44 K49 V100I5-F51 HydrophobicContact CD1-CB 3.91Å; I5-F51 HydrophobicContact CD1-CD1 3.68Å; I5-F51 HydrophobicContact CD1-CD2 4.42Å; I5-F51 HydrophobicContact CD1-CE1 4.29Å; I5-F51 HydrophobicContact CD1-CG 3.73Å; I5-F51 HydrophobicContact CG1-CB 3.92Å; I5-F51 HydrophobicContact CG1-CD1 3.78Å; I5-F51 HydrophobicContact CG1-CG 4.07Å; D6-F51 CarbonylContact O-C 3.47Å; D6-F51 VanDerWaalsContact O-CA 3.27Å; D6-F51 WeakPolarHBondContact O-CA 3.5Å; F7-F51 HydrophobicContact CD1-CD1 4.04Å; F7-F51 AromaticContact CD1-CE1 3.6Å; F7-F51 HydrophobicContact CD1-CE1 3.6Å; F7-F51 HydrophobicContact CD1-CZ 4.33Å; F7-F51 HydrophobicContact CE1-CD1 4.25Å; F7-F51 AromaticContact CE1-CE1 3.36Å; F7-F51 HydrophobicContact CE1-CE1 3.36Å; F7-F51 AromaticContact CE1-CZ 3.82Å; F7-F51 HydrophobicContact CE1-CZ 3.82Å; F7-F51 HydrophobicContact CG-CE1 4.43Å; F7-F51 HydrophobicContact CZ-CE1 4.03Å; Y18-F51 HydrophobicContact CD1-CZ 4.05Å; Y18-F51 HydrophobicContact CD2-CZ 4.39Å; Y18-F51 HydrophobicContact CE1-CE2 4.36Å; Y18-F51 AromaticContact CE1-CZ 3.72Å; Y18-F51 HydrophobicContact CE1-CZ 3.72Å; Y18-F51 HydrophobicContact CE2-CE1 4.45Å; Y18-F51 HydrophobicContact CE2-CZ 4.1Å; Y18-F51 HydrophobicContact CG-CZ 4.37Å; Y18-F51 AromaticContact CZ-CZ 3.75Å; V43-F51 CarbonylContact C-O 3.58Å; V43-F51 VanDerWaalsContact CA-O 3.29Å; V43-F51 WeakPolarHBondContact CA-O 3.18Å; F44-F51 PolarHBondContact N-O 2.98Å; F44-F51 PolarHBondContact O-N 3.34Å; K49-F51 HydrophobicContact CB-CE2 4.03Å; K49-F51 HydrophobicContact CB-CZ 4.31Å; F51-V100 HydrophobicContact CE1-CG2 4.38Å
52S88.9Confident85.3Confident29 Ų2948.4 Ų48.420%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-86.3124.6166-174.80000108D6D6-S52 PolarHBondContact N-O 3.23Å; D6-S52 PolarHBondContact O-N 2.83Å
53L89.7Confident83.8Confident0 Ų052.4 Ų52.40%029%0.287CS..EExtended strand (participates in β ladder)trans-116.7135-179.1-70.6-173.4000109.6V3 E4 I5 F27 Q41 L42 F44 F92V3-L53 HydrophobicContact CG1-CB 3.61Å; V3-L53 HydrophobicContact CG1-CD1 4.1Å; V3-L53 HydrophobicContact CG1-CD2 3.78Å; V3-L53 HydrophobicContact CG1-CG 4.02Å; E4-L53 CarbonylContact O-C 3.56Å; E4-L53 VanDerWaalsContact O-CA 3.26Å; E4-L53 WeakPolarHBondContact O-CA 3.39Å; I5-L53 HydrophobicContact CB-CD2 3.49Å; I5-L53 VanDerWaalsContact CB-CD2 3.49Å; I5-L53 HydrophobicContact CD1-CD2 3.8Å; I5-L53 HydrophobicContact CG1-CD2 3.52Å; F27-L53 HydrophobicContact CD2-CD1 3.93Å; F27-L53 HydrophobicContact CE2-CD1 3.49Å; F27-L53 VanDerWaalsContact CE2-CD1 3.49Å; Q41-L53 CarbonylContact C-O 3.47Å; Q41-L53 VanDerWaalsContact CA-O 3.32Å; Q41-L53 WeakPolarHBondContact CA-O 3.03Å; L42-L53 HydrophobicContact CD1-CB 4.11Å; L42-L53 HydrophobicContact CD1-CD1 3.92Å; L42-L53 HydrophobicContact CD2-CB 4.43Å; L42-L53 HydrophobicContact CG-CB 3.84Å; L42-L53 PolarHBondContact N-O 3.43Å; L42-L53 PolarHBondContact O-N 3.43Å; F44-L53 HydrophobicContact CB-CD1 3.36Å; F44-L53 HydrophobicContact CB-CG 3.93Å; F44-L53 HydrophobicContact CD1-CD1 4.29Å; F44-L53 HydrophobicContact CG-CD1 4.01Å; L53-F92 HydrophobicContact CD1-CE1 4.45Å; L53-F92 HydrophobicContact CD2-CD1 4.42Å; L53-F92 HydrophobicContact CD2-CE1 4.35Å
54V90.9Very high82.3Confident22 Ų2250.6 Ų50.613%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-123.5120.1173.9-171.40000108.9V3 E4 Q40 Q41 K56V3-V54 CarbonylContact C-O 3.59Å; V3-V54 WeakPolarHBondContact CA-O 3.46Å; E4-V54 HydrophobicContact CB-CB 4.33Å; E4-V54 PolarHBondContact N-O 3.49Å; E4-V54 PolarHBondContact O-N 3.2Å; Q40-V54 WeakPolarHBondContact O-CA 3.39Å; Q41-V54 HydrophobicContact CG-CG1 4.42Å; Q41-V54 HydrophobicContact CG-CG2 4.06Å; V54-K56 PolarHBondContact O-N 3.26Å
55V90Very high80.8Confident0 Ų055.7 Ų55.70%030%0.304CS..EExtended strand (participates in β ladder)trans-72.7116.7178.4-1780000109.1M1 F36 S37 D39 Q40 L42 I58M1-V55 HydrophobicContact CG-CG1 3.94Å; M1-V55 HydrophobicContact SD-CG1 3.93Å; M1-V55 HydrophobicContact SD-CG2 4.2Å; F36-V55 HydrophobicContact CB-CG2 4.45Å; F36-V55 HydrophobicContact CD1-CG2 4.18Å; S37-V55 WeakPolarHBondContact O-CB 3.22Å; D39-V55 WeakPolarHBondContact CA-O 3.41Å; D39-V55 PolarHBondContact N-O 2.9Å; Q40-V55 HydrophobicContact CB-CG2 4.49Å; Q40-V55 PolarHBondContact O-N 3.3Å; L42-V55 HydrophobicContact CD2-CG2 3.82Å; V55-I58 HydrophobicContact CG1-CD1 3.87Å; V55-I58 HydrophobicContact CG1-CG1 3.65Å
56K87.4Confident79.3Confident85 Ų8559.9 Ų59.937%0.3732%0.322SS..EExtended strand (participates in β ladder)trans-92.5-46.5-177.9-74.1-65.7-173-167.50113.5T2 E4 V38 V54T2-K56 HydrophobicContact CG2-CB 4.33Å; T2-K56 PolarHBondContact O-N 2.95Å; E4-K56 HydrophobicContact CB-CG 4.08Å; E4-K56 WeakPolarHBondContact OE2-CE 3.38Å; E4-K56 IonicContact OE2-NZ 3.98Å; E4-K56 PolarHBondContact OE2-NZ 2.87Å; V38-K56 VanDerWaalsContact CG1-O 3.3Å; V38-K56 WeakPolarHBondContact CG1-O 3.34Å; V54-K56 PolarHBondContact O-N 3.26Å
57D86.6Confident77.9Confident37 Ų3769.3 Ų69.320%0.19836%0.357CS..EExtended strand (participates in β ladder)trans-145.2142.9-175.1-148.9-9.5000110.5M1 T2 K78M1-D57 CarbonylContact C-O 3.43Å; M1-D57 WeakPolarHBondContact CA-O 3.48Å; T2-D57 PolarHBondContact N-O 3.22Å; D57-K78 VanDerWaalsContact OD2-CE 3.23Å; D57-K78 WeakPolarHBondContact OD2-CE 3.47Å; D57-K78 IonicContact OD2-NZ 3.63Å; D57-K78 PolarHBondContact OD2-NZ 2.83Å
58I87.5Confident76.3Confident11 Ų1168.6 Ų68.66%0.05636%0.363CS..  trans-130.2114.5179.2-51.3177.1000107.5M1 F36 V38 V55 I79M1-I58 HydrophobicContact CG-CG1 4.27Å; F36-I58 HydrophobicContact CB-CD1 4.22Å; F36-I58 VanDerWaalsContact O-CD1 3.25Å; F36-I58 WeakPolarHBondContact O-CD1 3.35Å; V38-I58 HydrophobicContact CG2-CD1 4.19Å; V38-I58 HydrophobicContact CG2-CG1 4.03Å; V55-I58 HydrophobicContact CG1-CD1 3.87Å; V55-I58 HydrophobicContact CG1-CG1 3.65Å; I58-I79 HydrophobicContact CB-CG1 4.02Å; I58-I79 HydrophobicContact CG2-CD1 3.71Å; I58-I79 HydrophobicContact CG2-CG1 3.68Å; I58-I79 WeakPolarHBondContact O-CG1 3.34Å; I58-I79 PolarHBondContact O-N 3.23Å
59D86.8Confident74.7Confident74 Ų7466.2 Ų66.240%0.39635%0.352SS..EExtended strand (participates in β ladder)trans-96.8126.7172.5-65.6-39.3000109.7
60A80.9Confident72.7Confident29 Ų2974 Ų7424%0.2439%0.386CS..EExtended strand (participates in β ladder)trans-71.6142.5170.800000110D62 K77 I79A60-D62 PolarHBondContact O-N 3.08Å; A60-K77 WeakPolarHBondContact CB-O 3.32Å; A60-K77 PolarHBondContact N-O 2.92Å; A60-I79 HydrophobicContact CB-CD1 3.84Å; A60-I79 HydrophobicContact CB-CG1 4.12Å; A60-I79 HydrophobicContact CB-CG2 3.86Å
61M71.6Confident70.3Confident99 Ų9974.8 Ų74.849%0.48839%0.393SS..PPolyproline II helixtrans-65.9125.3170.2-168178.1-169.300109T63 L66 N87M61-T63 PolarHBondContact O-N 3.41Å; M61-L66 HydrophobicContact CE-CD2 4.47Å; M61-L66 HydrophobicContact CE-CG 4.45Å; M61-N87 PolarHBondContact SD-ND2 3.22Å
62D67.6Low68Low68 Ų6880.5 Ų80.536%0.36443%0.433SS..PPolyproline II helixtrans-74127.2178.3-164.817.9000110.2A60 S64 I65A60-D62 PolarHBondContact O-N 3.08Å; D62-S64 PolarHBondContact O-N 3.44Å; D62-S64 VanDerWaalsContact O-N 3.11Å; D62-S64 PolarHBondContact OD1-OG 3.4Å; D62-S64 PolarHBondContact OD2-OG 3.37Å; D62-I65 HydrophobicContact CB-CD1 4.1Å; D62-I65 HydrophobicContact CB-CG1 4.38Å; D62-I65 PolarHBondContact O-N 3.31Å; D62-I65 VanDerWaalsContact O-N 3.16Å
63T60.8Low65.6Low106 Ų10685.4 Ų85.465%0.6546%0.457SS*.THydrogen-bonded Turntrans-64-17.5-176.746.30000113.2M61 I65 L66M61-T63 PolarHBondContact O-N 3.41Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-L66 PolarHBondContact O-N 3.02Å
64S58.8Low63.4Low34 Ų3490.7 Ų90.724%0.23850%0.501CS..THydrogen-bonded Turntrans-65.7-33.2176.4-380000112.5D62 L66 R67 G68D62-S64 PolarHBondContact O-N 3.44Å; D62-S64 VanDerWaalsContact O-N 3.11Å; D62-S64 PolarHBondContact OD1-OG 3.4Å; D62-S64 PolarHBondContact OD2-OG 3.37Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.37Å; S64-R67 PolarHBondContact O-N 2.88Å; S64-G68 PolarHBondContact O-N 3.24Å
65I59.3Low61.6Low108 Ų10894.4 Ų94.455%0.55453%0.528SS*.G310 helixtrans-68.5-29.9-177.8-60.6167.5000111.2D62 T63 R67D62-I65 HydrophobicContact CB-CD1 4.1Å; D62-I65 HydrophobicContact CB-CG1 4.38Å; D62-I65 PolarHBondContact O-N 3.31Å; D62-I65 VanDerWaalsContact O-N 3.16Å; T63-I65 VanDerWaalsContact C-N 3.34Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 3.47Å
66L55.7Low60.2Low132 Ų13295.7 Ų95.769%0.69154%0.541SS*.G310 helixtrans-74.3-16.9174.4-70.9163.3000112.9M61 T63 S64M61-L66 HydrophobicContact CE-CD2 4.47Å; M61-L66 HydrophobicContact CE-CG 4.45Å; T63-L66 PolarHBondContact O-N 3.02Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.37Å
67R55Low59.6Low220 Ų22099.5 Ų99.583%0.8356%0.557SS**G310 helixtrans-97.7-1.3179.6-70.4-173.8176-177.1-0.3114.3S64 I65S64-R67 PolarHBondContact O-N 2.88Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 3.47Å
68G47.9Very low59.4Low67 Ų67104.6 Ų104.669%0.69158%0.578SS**THydrogen-bonded Turntrans79.912.617200000116.2S64S64-G68 PolarHBondContact O-N 3.24Å
69E46.1Very low59.4Low145 Ų145106.5 Ų106.568%0.67859%0.588SS**  trans-86.9128.4173.5-71.8-179.3167.300110.7T71E69-T71 PolarHBondContact O-N 2.98Å
70K39.7Very low59.2Low216 Ų216111.5 Ų111.594%0.93961%0.606SS**  trans-82.198.4176.7-72.6-178.1177.7178.50109.7
71T37.7Very low59.5Low89 Ų89114.3 Ų114.355%0.54662%0.62SS.*  trans-93140.1166.440.40000111.1E69 D73E69-T71 PolarHBondContact O-N 2.98Å; T71-D73 VanDerWaalsContact C-N 3.34Å
72S39.7Very low60.2Low120 Ų120110.3 Ų110.384%0.83960%0.604SS**SBendtrans-82.40.1-17444.40000115.1
73D38.3Very low61.2Low132 Ų132111.2 Ų111.271%0.70661%0.608SS**  trans-113.588177.4-73.3-27.2000110.2T71 S75T71-D73 VanDerWaalsContact C-N 3.34Å; D73-S75 PolarHBondContact O-N 3.25Å
74A43.9Very low62.4Low111 Ų111106.4 Ų106.492%0.91758%0.578SS**  trans-79.438.2176.400000112.8
75S51.8Low63.7Low100 Ų100108.6 Ų108.670%0.69959%0.587SS**  trans-101.3103.8167.763.20000108.1D73D73-S75 PolarHBondContact O-N 3.25Å
76G61.4Low64.5Low26 Ų26107.2 Ų107.227%0.26859%0.592SS.*PPolyproline II helixtrans-55.6153.7176.700000111.7K78G76-K78 PolarHBondContact O-N 3.5Å
77K75.4Confident65.7Low165 Ų165105.2 Ų105.272%0.71758%0.582SS**EExtended strand (participates in β ladder)trans-69.5116.4178.8-173.4179.1-177.5176.90108.9A60 I79A60-K77 WeakPolarHBondContact CB-O 3.32Å; A60-K77 PolarHBondContact N-O 2.92Å; K77-I79 PolarHBondContact O-N 3.49Å
78K82.1Confident67Low145 Ų14596.2 Ų96.263%0.6355%0.553SS**EExtended strand (participates in β ladder)trans-61.5127.5175.7-62.6-164.9179.1-152.20111D57 G76D57-K78 VanDerWaalsContact OD2-CE 3.23Å; D57-K78 WeakPolarHBondContact OD2-CE 3.47Å; D57-K78 IonicContact OD2-NZ 3.63Å; D57-K78 PolarHBondContact OD2-NZ 2.83Å; G76-K78 PolarHBondContact O-N 3.5Å
79I86.1Confident68.7Low51 Ų51100.6 Ų100.626%0.26256%0.555SS.*  trans-124.6146178.850.7166.8000110.2I58 A60 K77I58-I79 HydrophobicContact CB-CG1 4.02Å; I58-I79 HydrophobicContact CG2-CD1 3.71Å; I58-I79 HydrophobicContact CG2-CG1 3.68Å; I58-I79 WeakPolarHBondContact O-CG1 3.34Å; I58-I79 PolarHBondContact O-N 3.23Å; A60-I79 HydrophobicContact CB-CD1 3.84Å; A60-I79 HydrophobicContact CB-CG1 4.12Å; A60-I79 HydrophobicContact CB-CG2 3.86Å; K77-I79 PolarHBondContact O-N 3.49Å
80K84.5Confident70.6Confident178 Ų17893.8 Ų93.877%0.77452%0.524SS*.SBendtrans-78.9-29.7179.7-68-173.7177.1-175.70113.2S37 V38S37-K80 CarbonylContact C-O 3.51Å; S37-K80 WeakPolarHBondContact CA-O 3.3Å; V38-K80 PolarHBondContact N-O 3.38Å
81V86.9Confident72.8Confident89 Ų8985.2 Ų85.254%0.53949%0.489SS..EExtended strand (participates in β ladder)trans-139.1132.8179.3-178.60000107.8F36F36-V81 CarbonylContact O-C 3.52Å; F36-V81 WeakPolarHBondContact O-CA 3.38Å
82G86.6Confident75.1Confident14 Ų1481 Ų8114%0.14446%0.464CS..EExtended strand (participates in β ladder)trans-141158.6179.400000112.5A35 F36A35-G82 WeakPolarHBondContact CA-O 3.27Å; F36-G82 PolarHBondContact N-O 3.01Å; F36-G82 PolarHBondContact O-N 2.99Å
83L87.3Confident77.2Confident87 Ų8778.5 Ų78.546%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-99.3130.5175.3-175.569.6000109.3L85L83-L85 HydrophobicContact CD2-CD2 3.99Å; L83-L85 HydrophobicContact CG-CD2 4.31Å; L83-L85 PolarHBondContact O-N 3.42Å
84L86.3Confident79.4Confident5 Ų575.6 Ų75.63%0.02642%0.42CS..  trans-77.9116.8176.8-162.574.4000110.3M1 F27 L28 F31 N33 Q34 F36 V90M1-L84 HydrophobicContact CE-CD1 3.98Å; F27-L84 HydrophobicContact CD1-CD2 4.13Å; F27-L84 HydrophobicContact CE1-CD2 3.8Å; L28-L84 HydrophobicContact CD2-CD1 4.03Å; L28-L84 HydrophobicContact CD2-CD2 3.91Å; L28-L84 HydrophobicContact CD2-CG 3.91Å; F31-L84 HydrophobicContact CB-CD2 3.9Å; F31-L84 WeakPolarHBondContact O-CD2 3.06Å; N33-L84 WeakPolarHBondContact CA-O 3.29Å; N33-L84 PolarHBondContact N-O 3.49Å; Q34-L84 PolarHBondContact O-N 3.35Å; F36-L84 HydrophobicContact CD2-CB 4.11Å; F36-L84 HydrophobicContact CE2-CB 4.04Å; F36-L84 HydrophobicContact CE2-CD2 4.03Å; L84-V90 HydrophobicContact CD1-CG2 4.17Å
85L85.3Confident81Confident80 Ų8071.2 Ų71.242%0.41938%0.382SS..  trans-106.3167.5179.8-61.7176.6000110.9L83 N87 S88L83-L85 HydrophobicContact CD2-CD2 3.99Å; L83-L85 HydrophobicContact CG-CD2 4.31Å; L83-L85 PolarHBondContact O-N 3.42Å; L85-N87 VanDerWaalsContact CB-OD1 3.29Å; L85-N87 WeakPolarHBondContact CB-OD1 3.35Å; L85-N87 PolarHBondContact O-N 3Å; L85-S88 PolarHBondContact N-OG 2.98Å; L85-S88 VanDerWaalsContact O-CB 3.22Å; L85-S88 WeakPolarHBondContact O-CB 3.46Å; L85-S88 PolarHBondContact O-N 3.24Å; L85-S88 PolarHBondContact O-OG 2.79Å
86A77Confident81.6Confident80 Ų8071.7 Ų71.766%0.66139%0.392SS*.THydrogen-bonded Turntrans-62.3-26.4-178.600000113.3F32F32-A86 HydrophobicContact CD2-CB 4.38Å; F32-A86 HydrophobicContact CE2-CB 3.76Å
87N80.6Confident81.9Confident90 Ų9075.3 Ų75.348%0.48141%0.414SS..THydrogen-bonded Turntrans-95.54177.565.9-17.7000113.1M61 L85M61-N87 PolarHBondContact SD-ND2 3.22Å; L85-N87 VanDerWaalsContact CB-OD1 3.29Å; L85-N87 WeakPolarHBondContact CB-OD1 3.35Å; L85-N87 PolarHBondContact O-N 3Å
88S83.7Confident81.8Confident31 Ų3168.4 Ų68.422%0.21739%0.386CS..  trans-68.1135.7175.8-64.40000110.4L28 L85L28-S88 WeakPolarHBondContact CD1-O 3.27Å; L28-S88 WeakPolarHBondContact CD2-O 3.43Å; L85-S88 PolarHBondContact N-OG 2.98Å; L85-S88 VanDerWaalsContact O-CB 3.22Å; L85-S88 WeakPolarHBondContact O-CB 3.46Å; L85-S88 PolarHBondContact O-N 3.24Å; L85-S88 PolarHBondContact O-OG 2.79Å
89Q83.3Confident81.1Confident158 Ų15864.3 Ų64.374%0.73838%0.379SS*.  trans-97.4130.1172.7-65.7-179.41.600109.5M1M1-Q89 PolarHBondContact N-O 2.81Å
90V85.3Confident80.7Confident3 Ų362.2 Ų62.22%0.01837%0.369CS..  trans-107.1128.8176.8-176.70000108.2M1 V3 A24 F27 L28 L84 F92M1-V90 HydrophobicContact CE-CG1 4.31Å; M1-V90 HydrophobicContact CE-CG2 4.09Å; M1-V90 WeakPolarHBondContact O-CA 3.33Å; V3-V90 HydrophobicContact CG2-CG1 4.02Å; A24-V90 HydrophobicContact CB-CB 4.43Å; F27-V90 HydrophobicContact CD1-CB 4.48Å; F27-V90 HydrophobicContact CD1-CG1 4.21Å; F27-V90 HydrophobicContact CD1-CG2 3.8Å; F27-V90 HydrophobicContact CE1-CG1 4.43Å; F27-V90 HydrophobicContact CE1-CG2 4.1Å; L28-V90 HydrophobicContact CD2-CG2 4.01Å; L28-V90 HydrophobicContact CG-CG2 4.26Å; L84-V90 HydrophobicContact CD1-CG2 4.17Å; V90-F92 HydrophobicContact CG1-CE1 4.13Å; V90-F92 HydrophobicContact CG1-CE2 4.09Å; V90-F92 HydrophobicContact CG1-CZ 3.83Å
91V86.5Confident80.2Confident36 Ų3656.8 Ų56.822%0.21835%0.35CS..EExtended strand (participates in β ladder)trans-119.1123.8-179.4-173.60000107.8M1 T2 V3 S106 I108M1-V91 PolarHBondContact O-N 3.26Å; T2-V91 CarbonylContact C-O 3.5Å; T2-V91 WeakPolarHBondContact CA-O 3.47Å; V3-V91 PolarHBondContact N-O 2.9Å; V91-S106 WeakPolarHBondContact CA-O 3.43Å; V91-I108 HydrophobicContact CG1-CB 4.22Å; V91-I108 HydrophobicContact CG1-CG1 3.57Å
92F85.9Confident79.7Confident1 Ų153.5 Ų53.50%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-93.3136.4179.2-62.4-79.9000111.4V3 I5 T20 M23 A24 F27 L53 V90 L102 S106 K107 I108V3-F92 HydrophobicContact CB-CD1 4.34Å; V3-F92 CarbonylContact O-C 3.57Å; V3-F92 WeakPolarHBondContact O-CA 3.36Å; I5-F92 HydrophobicContact CG2-CB 4.48Å; T20-F92 HydrophobicContact CG2-CB 4.36Å; T20-F92 HydrophobicContact CG2-CD2 4.29Å; M23-F92 HydrophobicContact CB-CE2 3.93Å; M23-F92 HydrophobicContact CB-CZ 4.21Å; A24-F92 HydrophobicContact CB-CE2 3.91Å; F27-F92 HydrophobicContact CB-CZ 4.27Å; F27-F92 HydrophobicContact CD2-CZ 4.45Å; F27-F92 HydrophobicContact CG-CZ 4.4Å; L53-F92 HydrophobicContact CD1-CE1 4.45Å; L53-F92 HydrophobicContact CD2-CD1 4.42Å; L53-F92 HydrophobicContact CD2-CE1 4.35Å; V90-F92 HydrophobicContact CG1-CE1 4.13Å; V90-F92 HydrophobicContact CG1-CE2 4.09Å; V90-F92 HydrophobicContact CG1-CZ 3.83Å; F92-L102 HydrophobicContact CB-CD1 4.02Å; F92-S106 PolarHBondContact N-O 3.24Å; F92-K107 VanDerWaalsContact O-CA 3.26Å; F92-K107 WeakPolarHBondContact O-CA 3.44Å; F92-I108 PolarHBondContact O-N 2.91Å
93E83.2Confident79.2Confident66 Ų6657.1 Ų57.131%0.30835%0.345SS..EExtended strand (participates in β ladder)trans-120.2134.4173-174.3-177.9177.100108.4T2 V3 E4 I5 I108T2-E93 HydrophobicContact CG2-CB 4.41Å; V3-E93 PolarHBondContact O-N 3.08Å; E4-E93 CarbonylContact C-O 3.59Å; E4-E93 WeakPolarHBondContact CA-O 3.48Å; I5-E93 WeakPolarHBondContact CG2-O 3.45Å; I5-E93 PolarHBondContact N-O 3.29Å; E93-I108 HydrophobicContact CB-CD1 4.24Å; E93-I108 HydrophobicContact CG-CD1 4.45Å
94K83.4Confident78.5Confident72 Ų7254.1 Ų54.131%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-76.1145.1175.964.7175.7-176.21710110.2L102K94-L102 HydrophobicContact CB-CD1 4.34Å
95S77.8Confident77.7Confident18 Ų1862.9 Ų62.913%0.12637%0.373CS..  trans-66.7144.5168.9-168.40000111.6E4 I5 S97 S98E4-S95 WeakPolarHBondContact OE1-CA 3.47Å; E4-S95 WeakPolarHBondContact OE1-CB 3.3Å; E4-S95 PolarHBondContact OE1-OG 3.4Å; I5-S95 PolarHBondContact O-N 2.87Å; I5-S95 VanDerWaalsContact O-N 3.12Å; S95-S97 PolarHBondContact O-N 3.35Å; S95-S98 WeakPolarHBondContact O-CB 3.26Å; S95-S98 PolarHBondContact O-N 3.45Å
96A66.1Low76.8Confident111 Ų11160.5 Ų60.592%0.91736%0.363SS*.THydrogen-bonded Turntrans-58.5-23-178.300000114
97S67Low76.5Confident102 Ų10261 Ų6171%0.71335%0.35SS*.THydrogen-bonded Turntrans-100.9-0.1178.262.90000114.3S95S95-S97 PolarHBondContact O-N 3.35Å
98S72.9Confident75.5Confident19 Ų1959.3 Ų59.313%0.13334%0.34CS..  trans-94.2144.2-173.8-164.50000113D6 S95 V100D6-S98 WeakPolarHBondContact OD1-CB 3.28Å; D6-S98 PolarHBondContact OD1-OG 3.29Å; S95-S98 WeakPolarHBondContact O-CB 3.26Å; S95-S98 PolarHBondContact O-N 3.45Å; S98-V100 VanDerWaalsContact OG-CG2 3.28Å; S98-V100 WeakPolarHBondContact OG-CG2 3.38Å; S98-V100 PolarHBondContact OG-N 3Å
99A67.8Low74.1Confident60 Ų6068.7 Ų68.750%0.49637%0.371SS..  trans-92.78.8175.500000113.5I13 V101I13-A99 HydrophobicContact CG2-CB 4.04Å; A99-V101 PolarHBondContact O-N 3.1Å
100V76.8Confident72.5Confident6 Ų665.3 Ų65.34%0.03636%0.358CS..  trans-62.4128.5179.7177.70000110.6F7 Y18 F51 S98 L102F7-V100 HydrophobicContact CD2-CG2 3.42Å; F7-V100 VanDerWaalsContact CD2-CG2 3.42Å; F7-V100 HydrophobicContact CE1-CG2 4.5Å; F7-V100 HydrophobicContact CE2-CB 4.24Å; F7-V100 HydrophobicContact CE2-CG2 3.25Å; F7-V100 HydrophobicContact CG-CG2 4.15Å; F7-V100 HydrophobicContact CZ-CG2 3.84Å; Y18-V100 HydrophobicContact CD2-CG1 4.15Å; F51-V100 HydrophobicContact CE1-CG2 4.38Å; S98-V100 VanDerWaalsContact OG-CG2 3.28Å; S98-V100 WeakPolarHBondContact OG-CG2 3.38Å; S98-V100 PolarHBondContact OG-N 3Å; V100-L102 HydrophobicContact CG1-CD2 3.61Å; V100-L102 HydrophobicContact CG1-CG 3.98Å
101V73.9Confident70.4Confident64 Ų6469.6 Ų69.639%0.38839%0.394SS..EExtended strand (participates in β ladder)trans-98.5109.4175-178.40000109.6P17 Y18 A99 I103P17-V101 WeakPolarHBondContact CA-O 3.35Å; P17-V101 HydrophobicContact CB-CG1 4.3Å; Y18-V101 PolarHBondContact N-O 3.48Å; A99-V101 PolarHBondContact O-N 3.1Å; V101-I103 HydrophobicContact CG1-CG1 4.48Å
102L77.8Confident68.6Low21 Ų2175 Ų7511%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-99.5123.4179.1-61.5177.7000111.8I5 T20 F92 K94 V100 K107I5-L102 HydrophobicContact CG2-CD1 3.7Å; I5-L102 HydrophobicContact CG2-CD2 4.19Å; I5-L102 HydrophobicContact CG2-CG 4.42Å; T20-L102 HydrophobicContact CG2-CB 3.72Å; T20-L102 HydrophobicContact CG2-CD1 4.37Å; T20-L102 HydrophobicContact CG2-CD2 3.94Å; T20-L102 HydrophobicContact CG2-CG 4.21Å; F92-L102 HydrophobicContact CB-CD1 4.02Å; K94-L102 HydrophobicContact CB-CD1 4.34Å; V100-L102 HydrophobicContact CG1-CD2 3.61Å; V100-L102 HydrophobicContact CG1-CG 3.98Å; L102-K107 PolarHBondContact O-NZ 3.44Å
103I75.1Confident66.8Low90 Ų9082.4 Ų82.446%0.46245%0.445SS..EExtended strand (participates in β ladder)trans-113.6148.9176.1-56.2-164.7000109.4P17 Y18 D19 T20 V101P17-I103 HydrophobicContact CB-CD1 3.22Å; P17-I103 HydrophobicContact CB-CG1 3.67Å; P17-I103 HydrophobicContact CG-CD1 4.11Å; Y18-I103 PolarHBondContact O-N 3.01Å; D19-I103 CarbonylContact C-O 3.59Å; D19-I103 WeakPolarHBondContact CA-O 3.36Å; T20-I103 WeakPolarHBondContact CB-O 3.2Å; T20-I103 WeakPolarHBondContact CG2-O 2.99Å; T20-I103 PolarHBondContact N-O 3.44Å; T20-I103 PolarHBondContact OG1-O 3.31Å; V101-I103 HydrophobicContact CG1-CG1 4.48Å
104G72.6Confident65Low24 Ų2482.7 Ų82.725%0.24745%0.454CS..SBendtrans118.9-177.3175.800000113.8T20 K107T20-G104 WeakPolarHBondContact OG1-CA 3.29Å; G104-K107 WeakPolarHBondContact O-CE 3.44Å
105K69.6Low63.6Low189 Ų18982.3 Ų82.382%0.82246%0.455SS*.SBendtrans-90.4-24.2-174.9-65.4176.8-178.1174.30112.9D21 K107D21-K105 PolarHBondContact OD1-N 2.97Å; D21-K105 VanDerWaalsContact OD1-N 3.09Å; D21-K105 PolarHBondContact OD2-N 3.11Å; D21-K105 VanDerWaalsContact OD2-N 3.1Å; K105-K107 PolarHBondContact O-N 3.43Å; K105-K107 VanDerWaalsContact O-N 3.12Å
106S65.9Low62.4Low30 Ų3082.6 Ų82.621%0.2146%0.455CS..SBendtrans-83.734-178.4-53.60000113.5D21 V91 F92D21-S106 VanDerWaalsContact OD1-CB 3.29Å; D21-S106 WeakPolarHBondContact OD1-CB 3.38Å; D21-S106 PolarHBondContact OD1-N 3.45Å; D21-S106 PolarHBondContact OD1-OG 3.3Å; V91-S106 WeakPolarHBondContact CA-O 3.43Å; F92-S106 PolarHBondContact N-O 3.24Å
107K70.5Confident61.8Low90 Ų9079.7 Ų79.739%0.39143%0.428SS..BIsolated β-bridgetrans-110.5152.9170.761.6-177.5173.5-179.80109.9T20 F92 L102 G104 K105 R109T20-K107 HydrophobicContact CG2-CB 4.38Å; F92-K107 VanDerWaalsContact O-CA 3.26Å; F92-K107 WeakPolarHBondContact O-CA 3.44Å; L102-K107 PolarHBondContact O-NZ 3.44Å; G104-K107 WeakPolarHBondContact O-CE 3.44Å; K105-K107 PolarHBondContact O-N 3.43Å; K105-K107 VanDerWaalsContact O-N 3.12Å; K107-R109 PolarHBondContact O-N 2.91Å
108I61.4Low60.9Low54 Ų5480.1 Ų80.128%0.27743%0.428SS..  trans-57.2118.8164.6-82.6-175000104.2T2 V91 F92 E93 D110T2-I108 HydrophobicContact CG2-CD1 3.33Å; T2-I108 HydrophobicContact CG2-CG1 4.13Å; V91-I108 HydrophobicContact CG1-CB 4.22Å; V91-I108 HydrophobicContact CG1-CG1 3.57Å; F92-I108 PolarHBondContact O-N 2.91Å; E93-I108 HydrophobicContact CB-CD1 4.24Å; E93-I108 HydrophobicContact CG-CD1 4.45Å; I108-D110 PolarHBondContact O-N 3.35Å
109R53.7Low59.8Low229 Ų22986.3 Ų86.386%0.86446%0.46SS*.  trans-61.895.3160.4-74.5-179.2173-178.2-3.5102.5K107 A111K107-R109 PolarHBondContact O-N 2.91Å; R109-A111 PolarHBondContact O-N 3.4Å
110D50.2Low59.2Low86 Ų8688.2 Ų88.246%0.4645%0.454SS..  trans-42.5115.8166.6-78.6-29000103.3I108 R112I108-D110 PolarHBondContact O-N 3.35Å; D110-R112 PolarHBondContact O-N 3.06Å
111A41Very low58.4Low94 Ų9492.3 Ų92.378%0.77748%0.476SS*.  trans-60.990.517600000103.2R109 Q113R109-A111 PolarHBondContact O-N 3.4Å; A111-Q113 VanDerWaalsContact C-N 3.33Å; A111-Q113 PolarHBondContact O-N 3.07Å
112R48.8Very low57.8Low148 Ų14891.7 Ų91.756%0.55847%0.468SS*.  trans-53.1111.7178.3-76.7-178.7175143.7-4.6101.8D110 S114 P149D110-R112 PolarHBondContact O-N 3.06Å; R112-S114 VanDerWaalsContact C-N 3.3Å; R112-S114 PolarHBondContact O-N 3.45Å; R112-P149 VanDerWaalsContact NH2-CG 3.25Å
113Q47.4Very low56.8Low158 Ų15898.5 Ų98.574%0.73850%0.499SS*.  trans-51.4110.9172.6-78-180-1900103.7A111 I115A111-Q113 VanDerWaalsContact C-N 3.33Å; A111-Q113 PolarHBondContact O-N 3.07Å; Q113-I115 PolarHBondContact O-N 3.23Å
114S45.6Very low56.2Low72 Ų72102.7 Ų102.750%0.50351%0.514SS..  trans-54.6118.5179.148.40000104.5R112 I116R112-S114 VanDerWaalsContact C-N 3.3Å; R112-S114 PolarHBondContact O-N 3.45Å; S114-I116 WeakPolarHBondContact CB-O 3.31Å; S114-I116 PolarHBondContact O-N 3.38Å; S114-I116 PolarHBondContact OG-O 3.06Å
115I54.2Low55.7Low64 Ų64103 Ų10333%0.32851%0.509SS..SBendtrans-57.6-13.3-178.4-61.8169.1000109.6Q113 L184 N185 L229Q113-I115 PolarHBondContact O-N 3.23Å; I115-L184 HydrophobicContact CG2-CD2 4.14Å; I115-L184 CarbonylContact O-C 3.56Å; I115-L184 WeakPolarHBondContact O-CA 3.47Å; I115-N185 PolarHBondContact O-N 3.25Å; I115-L229 HydrophobicContact CG2-CD2 4.25Å
116I52.3Low55.7Low24 Ų2495.2 Ų95.212%0.12348%0.483CS..BIsolated β-bridgetrans-119.9130.1176.8-57179.4000108.9S114 F138 V146 M183 L184S114-I116 WeakPolarHBondContact CB-O 3.31Å; S114-I116 PolarHBondContact O-N 3.38Å; S114-I116 PolarHBondContact OG-O 3.06Å; I116-F138 HydrophobicContact CD1-CE2 3.73Å; I116-F138 HydrophobicContact CD1-CZ 3.65Å; I116-V146 HydrophobicContact CD1-CB 4.3Å; I116-V146 HydrophobicContact CD1-CG1 4.27Å; I116-V146 HydrophobicContact CD1-CG2 3.24Å; I116-V146 HydrophobicContact CG1-CG2 4.49Å; I116-M183 HydrophobicContact CG2-CE 4.28Å; I116-L184 HydrophobicContact CG1-CD2 4.4Å
117S53.4Low56.2Low50 Ų5094.4 Ų94.435%0.3548%0.476SS..  trans-70.7132165.846.70000109.5D119S117-D119 PolarHBondContact O-N 2.97Å; S117-D119 VanDerWaalsContact O-N 3.13Å
118P48.7Very low56.6Low111 Ų11190.5 Ų90.572%0.72146%0.462SS*.SBendtrans-67.6-10.8-174.923.5-31.2000114.7
119D49Very low57.4Low149 Ų14988.8 Ų88.880%0.79746%0.457SS*.  trans-106.868.4-175.5-62.6-29.7000112.7S117S117-D119 PolarHBondContact O-N 2.97Å; S117-D119 VanDerWaalsContact O-N 3.13Å
120W56Low58.7Low99 Ų9978.8 Ų78.838%0.37542%0.421SS..  trans-102.4113.6174.659-89.2000111.1F122 M125 M183W120-F122 HydrophobicContact CE3-CD1 4.36Å; W120-F122 HydrophobicContact CE3-CD2 4.47Å; W120-F122 AromaticContact CE3-CE1 3.89Å; W120-F122 HydrophobicContact CE3-CE1 3.89Å; W120-F122 HydrophobicContact CE3-CE2 4.08Å; W120-F122 AromaticContact CE3-CZ 3.76Å; W120-F122 HydrophobicContact CE3-CZ 3.76Å; W120-F122 HydrophobicContact CH2-CE2 4.12Å; W120-F122 AromaticContact CH2-CZ 3.88Å; W120-F122 HydrophobicContact CH2-CZ 3.88Å; W120-F122 HydrophobicContact CZ3-CD1 4.42Å; W120-F122 AromaticContact CZ3-CD2 3.98Å; W120-F122 HydrophobicContact CZ3-CD2 3.98Å; W120-F122 AromaticContact CZ3-CE1 3.72Å; W120-F122 HydrophobicContact CZ3-CE1 3.72Å; W120-F122 AromaticContact CZ3-CE2 3.27Å; W120-F122 HydrophobicContact CZ3-CE2 3.27Å; W120-F122 AromaticContact CZ3-CZ 3.09Å; W120-F122 HydrophobicContact CZ3-CZ 3.09Å; W120-M125 HydrophobicContact CB-SD 4.38Å; W120-M183 HydrophobicContact CB-CE 3.91Å; W120-M183 HydrophobicContact CD2-CE 3.96Å; W120-M183 HydrophobicContact CG-CE 3.61Å
121N60.3Low60.1Low92 Ų9277.1 Ų77.149%0.49241%0.412SS..  trans-113.3122.7167.3-82.1-8.4000108.7E123 K124 M125N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 3.33Å; N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 HydrophobicContact CB-CD 4.08Å; N121-K124 HydrophobicContact CB-CG 3.97Å; N121-K124 WeakPolarHBondContact O-CB 3.48Å; N121-K124 PolarHBondContact O-N 3.37Å; N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 3.23Å
122F60Low62.1Low52 Ų5280.3 Ų80.323%0.22841%0.408CS..G310 helixtrans-54.9-40.6-178.9-64.1-61.1000113.2W120 K124 M125 G126 F134W120-F122 HydrophobicContact CE3-CD1 4.36Å; W120-F122 HydrophobicContact CE3-CD2 4.47Å; W120-F122 AromaticContact CE3-CE1 3.89Å; W120-F122 HydrophobicContact CE3-CE1 3.89Å; W120-F122 HydrophobicContact CE3-CE2 4.08Å; W120-F122 AromaticContact CE3-CZ 3.76Å; W120-F122 HydrophobicContact CE3-CZ 3.76Å; W120-F122 HydrophobicContact CH2-CE2 4.12Å; W120-F122 AromaticContact CH2-CZ 3.88Å; W120-F122 HydrophobicContact CH2-CZ 3.88Å; W120-F122 HydrophobicContact CZ3-CD1 4.42Å; W120-F122 AromaticContact CZ3-CD2 3.98Å; W120-F122 HydrophobicContact CZ3-CD2 3.98Å; W120-F122 AromaticContact CZ3-CE1 3.72Å; W120-F122 HydrophobicContact CZ3-CE1 3.72Å; W120-F122 AromaticContact CZ3-CE2 3.27Å; W120-F122 HydrophobicContact CZ3-CE2 3.27Å; W120-F122 AromaticContact CZ3-CZ 3.09Å; W120-F122 HydrophobicContact CZ3-CZ 3.09Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.28Å; F122-M125 PolarHBondContact O-N 3.25Å; F122-M125 VanDerWaalsContact O-N 3.11Å; F122-G126 PolarHBondContact O-N 3.18Å; F122-F134 HydrophobicContact CD1-CD1 4.45Å; F122-F134 AromaticContact CE1-CD1 3.48Å; F122-F134 HydrophobicContact CE1-CD1 3.48Å; F122-F134 VanDerWaalsContact CE1-CD1 3.48Å; F122-F134 AromaticContact CE1-CE1 3.75Å; F122-F134 HydrophobicContact CE1-CE1 3.75Å; F122-F134 HydrophobicContact CE1-CG 4.26Å; F122-F134 HydrophobicContact CZ-CD1 4.14Å
123E58.3Low63.8Low163 Ų16376.2 Ų76.276%0.76240%0.395SS*.G310 helixtrans-63-35.4177.2-63.9-177.8167.300112.8N121 M125N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 3.33Å; E123-M125 VanDerWaalsContact C-N 3.26Å; E123-M125 PolarHBondContact O-N 3.14Å
124K60.8Low65.5Low178 Ų17868.9 Ų68.977%0.77436%0.361SS*.G310 helixtrans-73-21.8177.7-68-174.5-178.2173.10112.3N121 F122 G126N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 HydrophobicContact CB-CD 4.08Å; N121-K124 HydrophobicContact CB-CG 3.97Å; N121-K124 WeakPolarHBondContact O-CB 3.48Å; N121-K124 PolarHBondContact O-N 3.37Å; F122-K124 VanDerWaalsContact C-N 3.32Å; F122-K124 PolarHBondContact O-N 3.28Å; K124-G126 VanDerWaalsContact C-N 3.34Å
125M63.6Low67.2Low30 Ų3068.4 Ų68.415%0.14836%0.358CS..G310 helixtrans-89.3-4-177.7-63.4178.184.200112.9W120 N121 F122 E123 I127 Q179 M183W120-M125 HydrophobicContact CB-SD 4.38Å; N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 3.23Å; F122-M125 PolarHBondContact O-N 3.25Å; F122-M125 VanDerWaalsContact O-N 3.11Å; E123-M125 VanDerWaalsContact C-N 3.26Å; E123-M125 PolarHBondContact O-N 3.14Å; M125-I127 VanDerWaalsContact C-N 3.25Å; M125-I127 PolarHBondContact O-N 3.42Å; M125-Q179 VanDerWaalsContact O-CD 3.26Å; M125-Q179 PolarHBondContact O-NE2 3.46Å; M125-M183 HydrophobicContact CE-CB 3.53Å; M125-M183 HydrophobicContact CE-CG 3.75Å; M125-M183 HydrophobicContact CE-SD 4.29Å
126G68.2Low68.7Low26 Ų2668.2 Ų68.227%0.26836%0.358SS..THydrogen-bonded Turntrans68.722.8175.300000113.9F122 K124F122-G126 PolarHBondContact O-N 3.18Å; K124-G126 VanDerWaalsContact C-N 3.34Å
127I78.1Confident70.3Confident14 Ų1467.1 Ų67.17%0.07235%0.352CS..  trans-101.6123169.5-61.1165.5000106.9M125 L130 L175 M176 Q179M125-I127 VanDerWaalsContact C-N 3.25Å; M125-I127 PolarHBondContact O-N 3.42Å; I127-L130 HydrophobicContact CG2-CB 4.14Å; I127-L130 HydrophobicContact CG2-CD1 4.41Å; I127-L175 HydrophobicContact CG1-CD2 3.64Å; I127-M176 HydrophobicContact CD1-CG 4.38Å; I127-Q179 HydrophobicContact CD1-CB 3.67Å; I127-Q179 HydrophobicContact CD1-CG 3.95Å; I127-Q179 HydrophobicContact CG1-CB 4.4Å; I127-Q179 HydrophobicContact CG1-CG 4.12Å
128G77.5Confident71.7Confident8 Ų867 Ų678%0.08235%0.345CS..  trans-119.8142.1174.100000110.8L130G128-L130 PolarHBondContact O-N 3.49Å
129G77.9Confident73.3Confident18 Ų1871 Ų7119%0.18635%0.346CS..SBendtrans81.35.5168.400000116.4Q312G129-Q312 VanDerWaalsContact CA-OE1 3.32Å
130L80.9Confident74.9Confident18 Ų1869.1 Ų69.19%0.09433%0.328CS..  trans-123.525.8-175.4-61.6171.6000112.8I127 G128 K132 E133 F134 M176 I302I127-L130 HydrophobicContact CG2-CB 4.14Å; I127-L130 HydrophobicContact CG2-CD1 4.41Å; G128-L130 PolarHBondContact O-N 3.49Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.04Å; L130-E133 WeakPolarHBondContact CA-OE2 3.49Å; L130-E133 HydrophobicContact CD2-CG 4.44Å; L130-E133 PolarHBondContact O-N 2.89Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.38Å; L130-F134 PolarHBondContact O-N 3.11Å; L130-M176 HydrophobicContact CB-CE 3.47Å; L130-M176 VanDerWaalsContact CB-CE 3.47Å; L130-M176 HydrophobicContact CD1-CE 3.85Å; L130-M176 HydrophobicContact CD1-CG 4.23Å; L130-M176 HydrophobicContact CG-CE 4.25Å; L130-I302 HydrophobicContact CD1-CG2 3.99Å; L130-I302 HydrophobicContact CD2-CG2 3.98Å
131D80Confident76.2Confident52 Ų5264.4 Ų64.428%0.27831%0.31SS..Hα-helixtrans-64.2-35.6-173.2-60.4-28.5000112.1S135 Q312D131-S135 VanDerWaalsContact O-CB 3.24Å; D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 2.95Å; D131-S135 PolarHBondContact O-OG 3.25Å; D131-Q312 PolarHBondContact OD2-NE2 3.45Å
132K83.4Confident77.1Confident161 Ų16160.2 Ų60.270%0.729%0.287SS*.Hα-helixtrans-71.2-49.4-179.7-67.1176.7-176166.80110.9L130 S135 D136L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.04Å; K132-S135 PolarHBondContact O-N 3.35Å; K132-D136 PolarHBondContact O-N 3.14Å
133E84.6Confident78Confident61 Ų6158.9 Ų58.929%0.28529%0.286SS..Hα-helixtrans-57.6-51.1177.2-69.673-158.600109.3L130 S135 D136 I137 M176 M300L130-E133 WeakPolarHBondContact CA-OE2 3.49Å; L130-E133 HydrophobicContact CD2-CG 4.44Å; L130-E133 PolarHBondContact O-N 2.89Å; E133-S135 PolarHBondContact O-N 2.89Å; E133-D136 PolarHBondContact O-N 2.96Å; E133-I137 PolarHBondContact O-N 3.47Å; E133-M176 HydrophobicContact CB-CE 4.47Å; E133-M300 VanDerWaalsContact C-SD 3.6Å; E133-M300 HydrophobicContact CB-CG 4.5Å; E133-M300 HydrophobicContact CB-SD 3.56Å; E133-M300 VanDerWaalsContact CB-SD 3.56Å; E133-M300 HydrophobicContact CG-SD 4.3Å; E133-M300 WeakPolarHBondContact O-CE 3.16Å
134F82.3Confident78.9Confident5 Ų552.3 Ų52.32%0.02226%0.258CS..Hα-helixtrans-61.4-43.4178.9-168.3-87.2000112.5F122 L130 D136 I137 F138 M176 I180 M183F122-F134 HydrophobicContact CD1-CD1 4.45Å; F122-F134 AromaticContact CE1-CD1 3.48Å; F122-F134 HydrophobicContact CE1-CD1 3.48Å; F122-F134 VanDerWaalsContact CE1-CD1 3.48Å; F122-F134 AromaticContact CE1-CE1 3.75Å; F122-F134 HydrophobicContact CE1-CE1 3.75Å; F122-F134 HydrophobicContact CE1-CG 4.26Å; F122-F134 HydrophobicContact CZ-CD1 4.14Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.38Å; L130-F134 PolarHBondContact O-N 3.11Å; F134-D136 VanDerWaalsContact C-N 3.28Å; F134-D136 PolarHBondContact O-N 2.84Å; F134-I137 PolarHBondContact O-N 2.86Å; F134-F138 HydrophobicContact CE1-CD2 4.49Å; F134-F138 WeakPolarHBondContact O-CB 3.24Å; F134-F138 PolarHBondContact O-N 2.94Å; F134-M176 HydrophobicContact CB-CE 3.87Å; F134-M176 HydrophobicContact CD2-CE 3.97Å; F134-M176 HydrophobicContact CD2-SD 4.04Å; F134-M176 HydrophobicContact CG-CE 4.44Å; F134-I180 HydrophobicContact CD2-CG1 4.42Å; F134-I180 HydrophobicContact CE2-CD1 4.23Å; F134-I180 HydrophobicContact CE2-CG1 3.59Å; F134-I180 HydrophobicContact CZ-CG1 4.34Å; F134-M183 HydrophobicContact CE1-SD 4.05Å; F134-M183 HydrophobicContact CZ-SD 3.61Å
135S82.5Confident79.7Confident61 Ų6145.3 Ų45.343%0.42723%0.226SC..Hα-helixtrans-61.7-36.5177.2-63.70000112.2D131 K132 E133 F138 R139D131-S135 VanDerWaalsContact O-CB 3.24Å; D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 2.95Å; D131-S135 PolarHBondContact O-OG 3.25Å; K132-S135 PolarHBondContact O-N 3.35Å; E133-S135 PolarHBondContact O-N 2.89Å; S135-F138 PolarHBondContact O-N 2.83Å; S135-R139 WeakPolarHBondContact O-CB 3.47Å; S135-R139 PolarHBondContact O-N 3.46Å
136D86Confident80.3Confident61 Ų6147.6 Ų47.633%0.32624%0.242SC..Hα-helixtrans-69.9-41.6175.2-169.748.3000112K132 E133 F134 F138 R139 R140 M300K132-D136 PolarHBondContact O-N 3.14Å; E133-D136 PolarHBondContact O-N 2.96Å; F134-D136 VanDerWaalsContact C-N 3.28Å; F134-D136 PolarHBondContact O-N 2.84Å; D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 3.21Å; D136-R139 PolarHBondContact O-N 3.43Å; D136-R140 WeakPolarHBondContact O-CB 3.42Å; D136-R140 VanDerWaalsContact O-CG 3.27Å; D136-R140 WeakPolarHBondContact O-CG 3.3Å; D136-R140 PolarHBondContact O-N 3.25Å; D136-R140 WeakPolarHBondContact OD1-CD 3.49Å; D136-R140 WeakPolarHBondContact OD2-CD 3.38Å; D136-R140 IonicContact OD2-NH1 3.92Å; D136-M300 HydrophobicContact CB-CE 4.06Å
137I85.5Confident80.6Confident0 Ų052.1 Ų52.10%025%0.254CS..Hα-helixtrans-56.3-47.6170.5-62.2175.9000109.4E133 F134 R139 R140 A141 F142 I163 L165 M176 I180 M300E133-I137 PolarHBondContact O-N 3.47Å; F134-I137 PolarHBondContact O-N 2.86Å; I137-R139 PolarHBondContact O-N 2.88Å; I137-R140 PolarHBondContact O-N 2.99Å; I137-A141 HydrophobicContact CG2-CB 4.27Å; I137-A141 WeakPolarHBondContact O-CB 3.29Å; I137-A141 PolarHBondContact O-N 3.08Å; I137-F142 HydrophobicContact CG2-CD2 4.31Å; I137-F142 HydrophobicContact CG2-CE2 3.7Å; I137-F142 HydrophobicContact CG2-CZ 4.41Å; I137-I163 HydrophobicContact CG2-CD1 3.82Å; I137-L165 HydrophobicContact CD1-CD2 3.82Å; I137-M176 HydrophobicContact CD1-SD 4.25Å; I137-I180 HydrophobicContact CD1-CD1 4.27Å; I137-M300 HydrophobicContact CB-CE 4.35Å; I137-M300 HydrophobicContact CD1-CE 4.09Å; I137-M300 HydrophobicContact CD1-SD 3.37Å; I137-M300 WeakPolarHBondContact CD1-SD 3.46Å; I137-M300 HydrophobicContact CG1-CE 3.24Å; I137-M300 HydrophobicContact CG1-SD 3.25Å; I137-M300 WeakPolarHBondContact CG1-SD 3.04Å
138F82.2Confident80.3Confident48 Ų4854.4 Ų54.421%0.21127%0.27CS..Iπ-helixtrans-62.7-45.9-175.2-170.1-89.7000112.2I116 F134 S135 D136 R140 F142 A143 V146 M183I116-F138 HydrophobicContact CD1-CE2 3.73Å; I116-F138 HydrophobicContact CD1-CZ 3.65Å; F134-F138 HydrophobicContact CE1-CD2 4.49Å; F134-F138 WeakPolarHBondContact O-CB 3.24Å; F134-F138 PolarHBondContact O-N 2.94Å; S135-F138 PolarHBondContact O-N 2.83Å; D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 3.21Å; F138-R140 PolarHBondContact O-N 3.45Å; F138-F142 HydrophobicContact CB-CD2 4.33Å; F138-F142 HydrophobicContact CD2-CB 3.91Å; F138-F142 AromaticContact CD2-CD2 3.76Å; F138-F142 HydrophobicContact CD2-CD2 3.76Å; F138-F142 HydrophobicContact CD2-CG 4.21Å; F138-F142 HydrophobicContact CE2-CB 4.06Å; F138-F142 HydrophobicContact CE2-CD2 4.48Å; F138-F142 HydrophobicContact CG-CB 4.3Å; F138-F142 HydrophobicContact CG-CD2 4.35Å; F138-F142 CarbonylContact O-C 3.36Å; F138-F142 WeakPolarHBondContact O-CA 3.32Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 PolarHBondContact O-N 2.99Å; F138-A143 PolarHBondContact O-N 3.47Å; F138-V146 HydrophobicContact CZ-CG2 4.16Å; F138-M183 HydrophobicContact CD2-CE 4.29Å; F138-M183 HydrophobicContact CE2-CE 3.83Å
139R82.6Confident79.9Confident195 Ų19556 Ų5674%0.73628%0.279SS*.Iπ-helixtrans-63-41175.7-175.3-179.5175.4-172.1-0.7112.4S135 D136 I137 A143S135-R139 WeakPolarHBondContact O-CB 3.47Å; S135-R139 PolarHBondContact O-N 3.46Å; D136-R139 PolarHBondContact O-N 3.43Å; I137-R139 PolarHBondContact O-N 2.88Å; R139-A143 WeakPolarHBondContact O-CB 3.12Å
140R83.4Confident79.7Confident110 Ų11059.8 Ų59.842%0.41530%0.295SS..Iπ-helixtrans-83.8-42.8-173-67.7177.665.4-171.3-1.1113.5D136 I137 F138 V160 V298D136-R140 WeakPolarHBondContact O-CB 3.42Å; D136-R140 VanDerWaalsContact O-CG 3.27Å; D136-R140 WeakPolarHBondContact O-CG 3.3Å; D136-R140 PolarHBondContact O-N 3.25Å; D136-R140 WeakPolarHBondContact OD1-CD 3.49Å; D136-R140 WeakPolarHBondContact OD2-CD 3.38Å; D136-R140 IonicContact OD2-NH1 3.92Å; I137-R140 PolarHBondContact O-N 2.99Å; F138-R140 PolarHBondContact O-N 3.45Å; R140-V160 WeakPolarHBondContact O-CG2 3.46Å; R140-V298 HydrophobicContact CB-CG2 4.03Å
141A81.6Confident79.6Confident0 Ų062.7 Ų62.70%031%0.31CS..Iπ-helixtrans-97.4-40.8-174.200000113I137 V160 I163 V298I137-A141 HydrophobicContact CG2-CB 4.27Å; I137-A141 WeakPolarHBondContact O-CB 3.29Å; I137-A141 PolarHBondContact O-N 3.08Å; A141-V160 HydrophobicContact CB-CB 4.49Å; A141-V160 HydrophobicContact CB-CG1 4.38Å; A141-I163 HydrophobicContact CB-CD1 3.74Å; A141-I163 HydrophobicContact CB-CG1 4.06Å; A141-V298 HydrophobicContact CB-CG2 4.47Å
142F79.4Confident79.5Confident3 Ų360.6 Ų60.61%0.01330%0.299CS..Iπ-helixtrans-93.2-28.7-170.8-60.6-53.1000113.9I137 F138 S144 R145 V146 I163 I180 L184 L275I137-F142 HydrophobicContact CG2-CD2 4.31Å; I137-F142 HydrophobicContact CG2-CE2 3.7Å; I137-F142 HydrophobicContact CG2-CZ 4.41Å; F138-F142 HydrophobicContact CB-CD2 4.33Å; F138-F142 HydrophobicContact CD2-CB 3.91Å; F138-F142 AromaticContact CD2-CD2 3.76Å; F138-F142 HydrophobicContact CD2-CD2 3.76Å; F138-F142 HydrophobicContact CD2-CG 4.21Å; F138-F142 HydrophobicContact CE2-CB 4.06Å; F138-F142 HydrophobicContact CE2-CD2 4.48Å; F138-F142 HydrophobicContact CG-CB 4.3Å; F138-F142 HydrophobicContact CG-CD2 4.35Å; F138-F142 CarbonylContact O-C 3.36Å; F138-F142 WeakPolarHBondContact O-CA 3.32Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 PolarHBondContact O-N 2.99Å; F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.47Å; F142-S144 VanDerWaalsContact O-N 3.17Å; F142-R145 WeakPolarHBondContact O-CA 3.28Å; F142-R145 WeakPolarHBondContact O-CB 3.04Å; F142-R145 PolarHBondContact O-N 3.06Å; F142-V146 VanDerWaalsContact O-CG2 3.22Å; F142-V146 WeakPolarHBondContact O-CG2 3.48Å; F142-V146 PolarHBondContact O-N 2.89Å; F142-V146 VanDerWaalsContact O-N 3.13Å; F142-I163 HydrophobicContact CZ-CD1 3.99Å; F142-I180 HydrophobicContact CE1-CG2 4.47Å; F142-I180 HydrophobicContact CE2-CG2 3.93Å; F142-I180 HydrophobicContact CZ-CG2 3.48Å; F142-I180 VanDerWaalsContact CZ-CG2 3.48Å; F142-L184 HydrophobicContact CD1-CD1 4.07Å; F142-L184 HydrophobicContact CD1-CD2 3.7Å; F142-L184 HydrophobicContact CD1-CG 4.46Å; F142-L184 HydrophobicContact CE1-CD1 3.31Å; F142-L184 HydrophobicContact CE1-CD2 3.85Å; F142-L184 HydrophobicContact CE1-CG 4.14Å; F142-L184 HydrophobicContact CG-CD2 4.32Å; F142-L184 HydrophobicContact CZ-CD1 3.64Å; F142-L275 HydrophobicContact CE1-CD2 3.58Å; F142-L275 HydrophobicContact CZ-CD2 4.01Å
143A79.5Confident79.2Confident25 Ų2559.6 Ų59.621%0.20730%0.297CS..Hα-helixtrans-49.8-47.5-178.600000113F138 R139 R145 V146 F147F138-A143 PolarHBondContact O-N 3.47Å; R139-A143 WeakPolarHBondContact O-CB 3.12Å; A143-R145 PolarHBondContact O-N 3.07Å; A143-R145 VanDerWaalsContact O-N 3.09Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.07Å; A143-F147 HydrophobicContact CB-CE2 4.41Å; A143-F147 WeakPolarHBondContact O-CD2 3.38Å; A143-F147 PolarHBondContact O-N 3.05Å
144S77.8Confident78.9Confident24 Ų2464.6 Ų64.617%0.16832%0.32CS..Hα-helixtrans-59-24.5178.770.70000114.1F142 V152 H159F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.47Å; F142-S144 VanDerWaalsContact O-N 3.17Å; S144-V152 WeakPolarHBondContact O-CG2 3.38Å; S144-H159 PolarHBondContact O-CE1 3.45Å; S144-H159 PolarHBondContact OG-ND1 3.25Å
145R76.2Confident78.8Confident31 Ų3169.6 Ų69.612%0.11735%0.345CS..Hα-helixtrans-95.1-16.7-179.1-57.7176.5-175-107.88.9112.7F142 A143 V160 I274F142-R145 WeakPolarHBondContact O-CA 3.28Å; F142-R145 WeakPolarHBondContact O-CB 3.04Å; F142-R145 PolarHBondContact O-N 3.06Å; A143-R145 PolarHBondContact O-N 3.07Å; A143-R145 VanDerWaalsContact O-N 3.09Å; R145-V160 PolarHBondContact NH2-O 3.48Å; R145-I274 PolarHBondContact NH2-O 3.31Å
146V76.6Confident78.6Confident78 Ų7869.6 Ų69.647%0.47336%0.355SS..Hα-helixtrans-83.6-37.8175.5-168.20000111.1I116 F138 F142 A143I116-V146 HydrophobicContact CD1-CB 4.3Å; I116-V146 HydrophobicContact CD1-CG1 4.27Å; I116-V146 HydrophobicContact CD1-CG2 3.24Å; I116-V146 HydrophobicContact CG1-CG2 4.49Å; F138-V146 HydrophobicContact CZ-CG2 4.16Å; F142-V146 VanDerWaalsContact O-CG2 3.22Å; F142-V146 WeakPolarHBondContact O-CG2 3.48Å; F142-V146 PolarHBondContact O-N 2.89Å; F142-V146 VanDerWaalsContact O-N 3.13Å; A143-V146 PolarHBondContact O-N 2.92Å; A143-V146 VanDerWaalsContact O-N 3.07Å
147F73.8Confident78.1Confident121 Ų12170 Ų7053%0.53136%0.361SS..SBendtrans-69.2149.5-178.4-78.9-73.1000112A143 V152A143-F147 HydrophobicContact CB-CE2 4.41Å; A143-F147 WeakPolarHBondContact O-CD2 3.38Å; A143-F147 PolarHBondContact O-N 3.05Å; F147-V152 HydrophobicContact CB-CG2 4.11Å
148P71.8Confident77.8Confident63 Ų6376.8 Ų76.841%0.40939%0.391SS..  trans-54.4132.1174-25.233.6000111.5D150 I151 V152P148-D150 PolarHBondContact O-N 3.32Å; P148-I151 HydrophobicContact CB-CD1 4.29Å; P148-I151 HydrophobicContact CG-CD1 4.14Å; P148-I151 PolarHBondContact O-N 2.9Å; P148-V152 PolarHBondContact O-N 3.36Å
149P69.8Low77.9Confident41 Ų4177 Ų7727%0.26639%0.393SS..Hα-helixtrans-61-30.5-17623.4-33.1000112.4R112 I151 V152 E153R112-P149 VanDerWaalsContact NH2-CG 3.25Å; P149-I151 PolarHBondContact O-N 3.27Å; P149-V152 CarbonylContact O-C 3.58Å; P149-V152 PolarHBondContact O-N 3.01Å; P149-E153 WeakPolarHBondContact O-CB 3.38Å; P149-E153 WeakPolarHBondContact O-CG 3.32Å; P149-E153 PolarHBondContact O-N 3.44Å
150D73.6Confident78Confident97 Ų9768.2 Ų68.252%0.51936%0.36SS..Hα-helixtrans-56.8-37176.3-50.7-4.5000111.7P148 Q154P148-D150 PolarHBondContact O-N 3.32Å; D150-Q154 WeakPolarHBondContact O-CG 3.18Å; D150-Q154 PolarHBondContact O-N 3.37Å
151I78.7Confident78.2Confident79 Ų7963.7 Ų63.741%0.40534%0.344SS..Hα-helixtrans-77.1-38.4177.1-62.2168.7000110.2P148 P149 Q154 M155P148-I151 HydrophobicContact CB-CD1 4.29Å; P148-I151 HydrophobicContact CG-CD1 4.14Å; P148-I151 PolarHBondContact O-N 2.9Å; P149-I151 PolarHBondContact O-N 3.27Å; I151-Q154 PolarHBondContact O-N 2.87Å; I151-M155 HydrophobicContact CG2-CE 3.68Å; I151-M155 HydrophobicContact CG2-SD 4.43Å; I151-M155 WeakPolarHBondContact O-CG 3.44Å; I151-M155 PolarHBondContact O-N 2.88Å
152V78.8Confident78.6Confident8 Ų863.8 Ų63.85%0.04834%0.344CS..Hα-helixtrans-66.5-41178.8-178.80000111.6S144 F147 P148 P149 M155 G156 C157S144-V152 WeakPolarHBondContact O-CG2 3.38Å; F147-V152 HydrophobicContact CB-CG2 4.11Å; P148-V152 PolarHBondContact O-N 3.36Å; P149-V152 CarbonylContact O-C 3.58Å; P149-V152 PolarHBondContact O-N 3.01Å; V152-M155 CarbonylContact O-C 3.6Å; V152-M155 PolarHBondContact O-N 3.03Å; V152-G156 PolarHBondContact O-N 2.8Å; V152-C157 HydrophobicContact CG1-CB 4.32Å; V152-C157 PolarHBondContact O-N 2.87Å
153E75.6Confident79.2Confident140 Ų14063.6 Ų63.665%0.65434%0.344SS*.Hα-helixtrans-63.8-43174.5-75.3-177.8-176.500111.1P149 M155 G156P149-E153 WeakPolarHBondContact O-CB 3.38Å; P149-E153 WeakPolarHBondContact O-CG 3.32Å; P149-E153 PolarHBondContact O-N 3.44Å; E153-M155 VanDerWaalsContact C-N 3.28Å; E153-M155 PolarHBondContact O-N 2.92Å; E153-G156 PolarHBondContact O-N 2.85Å
154Q79.2Confident79.8Confident166 Ų16662.5 Ų62.578%0.77633%0.334SS*.Hα-helixtrans-61.9-35.2173.6-75.7173.711.400112.7D150 I151 G156D150-Q154 WeakPolarHBondContact O-CG 3.18Å; D150-Q154 PolarHBondContact O-N 3.37Å; I151-Q154 PolarHBondContact O-N 2.87Å; Q154-G156 VanDerWaalsContact C-N 3.29Å
155M80.2Confident80.5Confident111 Ų11161.3 Ų61.355%0.54733%0.326SS..Hα-helixtrans-77.3-12.9174.9-71-173.2-66.300113.3I151 V152 E153 C157I151-M155 HydrophobicContact CG2-CE 3.68Å; I151-M155 HydrophobicContact CG2-SD 4.43Å; I151-M155 WeakPolarHBondContact O-CG 3.44Å; I151-M155 PolarHBondContact O-N 2.88Å; V152-M155 CarbonylContact O-C 3.6Å; V152-M155 PolarHBondContact O-N 3.03Å; E153-M155 VanDerWaalsContact C-N 3.28Å; E153-M155 PolarHBondContact O-N 2.92Å; M155-C157 PolarHBondContact O-N 2.79Å
156G78.9Confident81.2Confident61 Ų6162.5 Ų62.563%0.62933%0.331SS*.THydrogen-bonded Turntrans62.819-176.900000113.9V152 E153 Q154V152-G156 PolarHBondContact O-N 2.8Å; E153-G156 PolarHBondContact O-N 2.85Å; Q154-G156 VanDerWaalsContact C-N 3.29Å
157C75.8Confident81.7Confident68 Ų6859.1 Ų59.146%0.45931%0.312SS..PPolyproline II helixtrans-78.4127.7-176.3-68.80000110.8V152 M155V152-C157 HydrophobicContact CG1-CB 4.32Å; V152-C157 PolarHBondContact O-N 2.87Å; M155-C157 PolarHBondContact O-N 2.79Å
158K78.3Confident82.1Confident144 Ų14453.7 Ų53.763%0.62629%0.289SS*.PPolyproline II helixtrans-78.1142.4169.3-63.5-170.4-179.6-1650110
159H83.5Confident82.6Confident53 Ų5353.7 Ų53.725%0.24529%0.288CS..PPolyproline II helixtrans-69.2143.4173.5-62.3-58.9000111.1S144 K161S144-H159 PolarHBondContact O-CE1 3.45Å; S144-H159 PolarHBondContact OG-ND1 3.25Å; H159-K161 PolarHBondContact O-N 2.77Å
160V86.5Confident83.1Confident10 Ų1053 Ų536%0.06129%0.289CS..PPolyproline II helixtrans-65.2125173.8177.70000109.2R140 A141 R145 E297 V298R140-V160 WeakPolarHBondContact O-CG2 3.46Å; A141-V160 HydrophobicContact CB-CB 4.49Å; A141-V160 HydrophobicContact CB-CG1 4.38Å; R145-V160 PolarHBondContact NH2-O 3.48Å; V160-E297 HydrophobicContact CG1-CB 4.32Å; V160-V298 HydrophobicContact CG1-CG2 4.04Å
161K86.2Confident83.5Confident15 Ų1548.9 Ų48.97%0.06527%0.268CS..  trans-88.9-25.5-177.8-64.9-173.5179.2177.60113.7H159 I265 L271 L275 V276H159-K161 PolarHBondContact O-N 2.77Å; K161-I265 HydrophobicContact CB-CG2 4.34Å; K161-I265 HydrophobicContact CD-CG2 4.12Å; K161-I265 WeakPolarHBondContact CD-O 3.29Å; K161-I265 PolarHBondContact NZ-O 3.47Å; K161-L271 WeakPolarHBondContact CE-O 3.3Å; K161-L275 WeakPolarHBondContact O-CA 3.37Å; K161-V276 PolarHBondContact O-N 3.06Å
162G89.8Confident83.7Confident1 Ų146.6 Ų46.61%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-150.8140.2-169.600000115.4V276 R295 E297 V298G162-V276 CarbonylContact C-O 3.55Å; G162-V276 WeakPolarHBondContact CA-O 3.24Å; G162-R295 VanDerWaalsContact CA-O 3.28Å; G162-R295 WeakPolarHBondContact CA-O 3.03Å; G162-R295 PolarHBondContact N-O 3.21Å; G162-R295 VanDerWaalsContact N-O 3.12Å; G162-E297 PolarHBondContact O-N 3.47Å; G162-V298 PolarHBondContact O-N 3.37Å
163I92.1Very high84.2Confident0 Ų046.9 Ų46.90%027%0.265CS..EExtended strand (participates in β ladder)trans-120.4132.1174.4-56.4165.1000107.6I137 A141 F142 L165 L275 V276 I277 G278 V298I137-I163 HydrophobicContact CG2-CD1 3.82Å; A141-I163 HydrophobicContact CB-CD1 3.74Å; A141-I163 HydrophobicContact CB-CG1 4.06Å; F142-I163 HydrophobicContact CZ-CD1 3.99Å; I163-L165 HydrophobicContact CG2-CD2 3.83Å; I163-L165 HydrophobicContact CG2-CG 4.35Å; I163-L275 HydrophobicContact CD1-CD1 4.05Å; I163-L275 HydrophobicContact CD1-CD2 4.44Å; I163-L275 HydrophobicContact CG1-CD1 4.21Å; I163-V276 PolarHBondContact N-O 2.97Å; I163-I277 CarbonylContact O-C 3.58Å; I163-I277 WeakPolarHBondContact O-CA 3.48Å; I163-G278 PolarHBondContact O-N 2.98Å; I163-V298 CarbonylContact C-O 3.57Å; I163-V298 WeakPolarHBondContact CA-O 3.38Å; I163-V298 HydrophobicContact CG1-CB 4.3Å; I163-V298 HydrophobicContact CG2-CB 4.44Å; I163-V298 HydrophobicContact CG2-CG1 4.34Å
164L92.6Very high84.7Confident1 Ų142.4 Ų42.41%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-112.9115.8171.8-178.967.4000109.4I237 G278 T280 I286 L291 L296 V298 K299 M300L164-I237 HydrophobicContact CD1-CG2 3.96Å; L164-G278 CarbonylContact C-O 3.47Å; L164-G278 WeakPolarHBondContact CA-O 3.42Å; L164-T280 HydrophobicContact CD1-CG2 4.24Å; L164-I286 HydrophobicContact CD1-CD1 3.89Å; L164-I286 HydrophobicContact CD2-CD1 3.99Å; L164-L291 HydrophobicContact CD2-CD2 3.3Å; L164-L296 HydrophobicContact CB-CB 4.33Å; L164-L296 HydrophobicContact CB-CD1 4.3Å; L164-L296 HydrophobicContact CD1-CD1 4.32Å; L164-V298 PolarHBondContact N-O 3.39Å; L164-K299 WeakPolarHBondContact O-CA 3.38Å; L164-M300 PolarHBondContact O-N 3.16Å
165L92.8Very high84.9Confident0 Ų038.1 Ų38.10%023%0.229CC..EExtended strand (participates in β ladder)trans-96.4120.3172.4-54.3-179000108.6I137 I163 M176 A177 I277 G278 M279 T280 M300 I302I137-L165 HydrophobicContact CD1-CD2 3.82Å; I163-L165 HydrophobicContact CG2-CD2 3.83Å; I163-L165 HydrophobicContact CG2-CG 4.35Å; L165-M176 HydrophobicContact CD1-CB 4.41Å; L165-A177 HydrophobicContact CD1-CB 4.32Å; L165-I277 HydrophobicContact CD1-CG2 4.13Å; L165-I277 HydrophobicContact CG-CG2 4.33Å; L165-G278 PolarHBondContact N-O 3.28Å; L165-M279 HydrophobicContact CB-CG 4.26Å; L165-M279 HydrophobicContact CD1-CG 4.36Å; L165-M279 VanDerWaalsContact O-CA 3.3Å; L165-M279 WeakPolarHBondContact O-CA 3.41Å; L165-T280 PolarHBondContact O-N 3.28Å; L165-M300 HydrophobicContact CD2-CB 3.96Å; L165-I302 HydrophobicContact CB-CD1 4.09Å; L165-I302 HydrophobicContact CD1-CD1 4.15Å; L165-I302 HydrophobicContact CD2-CD1 4.16Å; L165-I302 HydrophobicContact CG-CD1 4.35Å
166Y91.1Very high85.1Confident56 Ų5632.9 Ų32.922%0.2220%0.203CC..EExtended strand (participates in β ladder)trans-132.1156.4176.666.7-84.9000111.3T280 P283 K299 M300 E301 I302Y166-T280 VanDerWaalsContact CA-O 3.26Å; Y166-T280 WeakPolarHBondContact CA-O 3.44Å; Y166-P283 HydrophobicContact CD2-CB 3.98Å; Y166-P283 HydrophobicContact CD2-CG 3.71Å; Y166-P283 HydrophobicContact CE2-CG 4.29Å; Y166-P283 HydrophobicContact CG-CB 4.02Å; Y166-P283 HydrophobicContact CG-CG 4.21Å; Y166-K299 HydrophobicContact CE1-CB 3.96Å; Y166-M300 VanDerWaalsContact CD1-O 3.24Å; Y166-M300 WeakPolarHBondContact CD1-O 3.46Å; Y166-M300 VanDerWaalsContact CE1-C 3.48Å; Y166-M300 WeakPolarHBondContact CE1-O 3.44Å; Y166-M300 PolarHBondContact N-O 2.97Å; Y166-E301 HydrophobicContact CD2-CB 4.33Å; Y166-E301 HydrophobicContact CD2-CG 4.23Å; Y166-E301 HydrophobicContact CE1-CB 4.39Å; Y166-E301 HydrophobicContact CE2-CB 3.65Å; Y166-E301 HydrophobicContact CE2-CG 3.74Å; Y166-E301 CarbonylContact O-C 3.48Å; Y166-E301 VanDerWaalsContact O-CA 3.29Å; Y166-E301 WeakPolarHBondContact O-CA 3.37Å; Y166-I302 PolarHBondContact O-N 3.3Å
167G87.4Confident85.4Confident7 Ų730 Ų307%0.07217%0.173CC..  trans157176.6179.100000112.2K173 T280 N281 I302G167-K173 PolarHBondContact O-NZ 3.28Å; G167-T280 PolarHBondContact N-O 3.31Å; G167-N281 WeakPolarHBondContact O-CA 3.4Å; G167-N281 PolarHBondContact O-OD1 2.92Å; G167-I302 WeakPolarHBondContact CA-O 3.46Å
168P80.4Confident85.8Confident7 Ų733.5 Ų33.55%0.04518%0.177CC..SBendtrans-56.7148.5178.118.2-27.2000112.8K173 I302 Y399P168-K173 VanDerWaalsContact C-NZ 3.34Å; P168-K173 PolarHBondContact O-NZ 3.43Å; P168-I302 WeakPolarHBondContact CD-O 3.48Å; P168-Y399 HydrophobicContact CB-CD2 4.37Å; P168-Y399 HydrophobicContact CB-CE1 4.41Å; P168-Y399 HydrophobicContact CB-CE2 3.59Å
169P82.8Confident85.9Confident62 Ų6228.8 Ų28.840%0.40316%0.157SC..THydrogen-bonded Turntrans-58.3154.1175.127.5-35.1000110.9C171 Y399P169-C171 VanDerWaalsContact C-N 3.3Å; P169-C171 PolarHBondContact O-N 3.1Å; P169-Y399 WeakPolarHBondContact CD-OH 3.4Å; P169-Y399 HydrophobicContact CG-CE2 4.08Å
170G81.4Confident85.7Confident28 Ų2826.2 Ų26.229%0.28915%0.145SC..THydrogen-bonded Turntrans80.3-3.3178.300000116.2G172 G345 A346G170-G172 VanDerWaalsContact C-N 3.27Å; G170-G172 PolarHBondContact O-N 3.29Å; G170-G345 PolarHBondContact O-N 2.9Å; G170-G345 VanDerWaalsContact O-N 3.15Å; G170-A346 PolarHBondContact O-N 3.35Å
171C82.2Confident85.3Confident9 Ų925.9 Ų25.96%0.06114%0.143CC..SBendtrans-86.319-179.6-59.30000114.8P169 K173 I302P169-C171 VanDerWaalsContact C-N 3.3Å; P169-C171 PolarHBondContact O-N 3.1Å; C171-K173 PolarHBondContact O-N 3.43Å; C171-I302 HydrophobicContact CB-CG2 3.92Å; C171-I302 WeakPolarHBondContact O-CG2 3.4Å
172G82.3Confident84.9Confident32 Ų3233.2 Ų33.233%0.3318%0.175SC..SBendtrans75.618.1172.300000116.3G170 T174 L175 M176G170-G172 VanDerWaalsContact C-N 3.27Å; G170-G172 PolarHBondContact O-N 3.29Å; G172-T174 PolarHBondContact O-N 2.93Å; G172-L175 WeakPolarHBondContact O-CB 3.46Å; G172-L175 PolarHBondContact O-N 3.07Å; G172-L175 VanDerWaalsContact O-N 3.08Å; G172-M176 PolarHBondContact O-N 3.32Å
173K88.6Confident84Confident14 Ų1433.6 Ų33.66%0.06118%0.177CC..Hα-helixtrans-52.9-49178.8-57.9-172.1-72.8-810112.9G167 P168 C171 L175 M176 A177 M279 T280 N281 I302G167-K173 PolarHBondContact O-NZ 3.28Å; P168-K173 VanDerWaalsContact C-NZ 3.34Å; P168-K173 PolarHBondContact O-NZ 3.43Å; C171-K173 PolarHBondContact O-N 3.43Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3Å; K173-M176 WeakPolarHBondContact O-CB 3.38Å; K173-M176 PolarHBondContact O-N 2.69Å; K173-A177 PolarHBondContact O-N 2.75Å; K173-M279 HydrophobicContact CB-SD 4.48Å; K173-M279 VanDerWaalsContact O-SD 3.42Å; K173-T280 WeakPolarHBondContact CE-O 3.19Å; K173-N281 VanDerWaalsContact CE-OD1 3.22Å; K173-N281 WeakPolarHBondContact CE-OD1 3.48Å; K173-N281 PolarHBondContact NZ-OD1 3.26Å; K173-I302 HydrophobicContact CB-CD1 4.37Å; K173-I302 HydrophobicContact CG-CB 4.2Å; K173-I302 HydrophobicContact CG-CD1 3.95Å; K173-I302 HydrophobicContact CG-CG2 4.41Å
174T86.6Confident83Confident45 Ų4533.8 Ų33.828%0.27618%0.178SC..Hα-helixtrans-63.3-36.9177.5-46.60000112.4G172 R178 D235 M279G172-T174 PolarHBondContact O-N 2.93Å; T174-R178 VanDerWaalsContact O-CG 3.3Å; T174-R178 WeakPolarHBondContact O-CG 3.31Å; T174-R178 PolarHBondContact O-N 3Å; T174-R178 VanDerWaalsContact O-N 3.12Å; T174-D235 WeakPolarHBondContact CG2-OD2 3.43Å; T174-D235 PolarHBondContact OG1-OD2 2.77Å; T174-D235 VanDerWaalsContact OG1-OD2 3.12Å; T174-M279 WeakPolarHBondContact CA-SD 3.2Å; T174-M279 HydrophobicContact CG2-CE 4.33Å
175L84.1Confident81.5Confident77 Ų7738.2 Ų38.240%0.40320%0.202SC..Hα-helixtrans-67.4-45.9176-170.2152000110.4I127 G172 K173 A177 R178 Q179I127-L175 HydrophobicContact CG1-CD2 3.64Å; G172-L175 WeakPolarHBondContact O-CB 3.46Å; G172-L175 PolarHBondContact O-N 3.07Å; G172-L175 VanDerWaalsContact O-N 3.08Å; K173-L175 VanDerWaalsContact C-N 3.32Å; K173-L175 PolarHBondContact O-N 3Å; L175-A177 PolarHBondContact O-N 2.89Å; L175-R178 PolarHBondContact O-N 3.4Å; L175-Q179 HydrophobicContact CD2-CG 3.83Å; L175-Q179 VanDerWaalsContact O-CG 3.31Å; L175-Q179 WeakPolarHBondContact O-CG 3.49Å; L175-Q179 PolarHBondContact O-N 3.1Å
176M84.4Confident79.9Confident1 Ų139.4 Ų39.41%0.00521%0.212CC..Hα-helixtrans-54.8-50.9175-112.3-120.8-168.400111.7I127 L130 E133 F134 I137 L165 G172 K173 R178 Q179 I180 I302I127-M176 HydrophobicContact CD1-CG 4.38Å; L130-M176 HydrophobicContact CB-CE 3.47Å; L130-M176 VanDerWaalsContact CB-CE 3.47Å; L130-M176 HydrophobicContact CD1-CE 3.85Å; L130-M176 HydrophobicContact CD1-CG 4.23Å; L130-M176 HydrophobicContact CG-CE 4.25Å; E133-M176 HydrophobicContact CB-CE 4.47Å; F134-M176 HydrophobicContact CB-CE 3.87Å; F134-M176 HydrophobicContact CD2-CE 3.97Å; F134-M176 HydrophobicContact CD2-SD 4.04Å; F134-M176 HydrophobicContact CG-CE 4.44Å; I137-M176 HydrophobicContact CD1-SD 4.25Å; L165-M176 HydrophobicContact CD1-CB 4.41Å; G172-M176 PolarHBondContact O-N 3.32Å; K173-M176 WeakPolarHBondContact O-CB 3.38Å; K173-M176 PolarHBondContact O-N 2.69Å; M176-R178 PolarHBondContact O-N 2.69Å; M176-Q179 PolarHBondContact O-N 3.49Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.45Å; M176-I180 PolarHBondContact O-N 2.81Å; M176-I180 HydrophobicContact SD-CD1 4.37Å; M176-I302 HydrophobicContact CB-CD1 4.46Å; M176-I302 HydrophobicContact CG-CD1 4.43Å; M176-I302 HydrophobicContact SD-CD1 4.24Å
177A85.3Confident78.8Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-62-41.5-179.800000112.7L165 K173 L175 I180 G181 I233 I277 M279L165-A177 HydrophobicContact CD1-CB 4.32Å; K173-A177 PolarHBondContact O-N 2.75Å; L175-A177 PolarHBondContact O-N 2.89Å; A177-I180 PolarHBondContact O-N 2.69Å; A177-G181 PolarHBondContact O-N 3.36Å; A177-I233 HydrophobicContact CB-CD1 4.33Å; A177-I233 HydrophobicContact CB-CG2 3.97Å; A177-I233 WeakPolarHBondContact O-CD1 3.42Å; A177-I277 HydrophobicContact CB-CG2 3.97Å; A177-M279 HydrophobicContact CB-CE 4.17Å; A177-M279 HydrophobicContact CB-CG 4.36Å; A177-M279 HydrophobicContact CB-SD 3.37Å; A177-M279 WeakPolarHBondContact CB-SD 3.45Å
178R82.6Confident78Confident141 Ų14151.6 Ų51.653%0.53226%0.263SS..Hα-helixtrans-63.6-42.8176.2-74.4176.5-178.8178.52.2112.1T174 L175 M176 G181 K182 I191T174-R178 VanDerWaalsContact O-CG 3.3Å; T174-R178 WeakPolarHBondContact O-CG 3.31Å; T174-R178 PolarHBondContact O-N 3Å; T174-R178 VanDerWaalsContact O-N 3.12Å; L175-R178 PolarHBondContact O-N 3.4Å; M176-R178 PolarHBondContact O-N 2.69Å; R178-G181 PolarHBondContact O-N 3.12Å; R178-K182 WeakPolarHBondContact O-CB 3.47Å; R178-K182 PolarHBondContact O-N 3.49Å; R178-I191 HydrophobicContact CG-CD1 4.04Å
179Q80.2Confident78Confident45 Ų4553.3 Ų53.321%0.2127%0.274CS..Hα-helixtrans-69.3-38.4178.6-67.9-59.6-12.100112.1M125 I127 L175 M176 G181 K182 M183M125-Q179 VanDerWaalsContact O-CD 3.26Å; M125-Q179 PolarHBondContact O-NE2 3.46Å; I127-Q179 HydrophobicContact CD1-CB 3.67Å; I127-Q179 HydrophobicContact CD1-CG 3.95Å; I127-Q179 HydrophobicContact CG1-CB 4.4Å; I127-Q179 HydrophobicContact CG1-CG 4.12Å; L175-Q179 HydrophobicContact CD2-CG 3.83Å; L175-Q179 VanDerWaalsContact O-CG 3.31Å; L175-Q179 WeakPolarHBondContact O-CG 3.49Å; L175-Q179 PolarHBondContact O-N 3.1Å; M176-Q179 PolarHBondContact O-N 3.49Å; Q179-G181 VanDerWaalsContact C-N 3.31Å; Q179-G181 PolarHBondContact O-N 3.41Å; Q179-K182 PolarHBondContact O-N 3.38Å; Q179-M183 VanDerWaalsContact O-CB 3.28Å; Q179-M183 WeakPolarHBondContact O-CB 3.45Å; Q179-M183 PolarHBondContact O-N 3.13Å
180I80.9Confident78.1Confident0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-57.5-47.2171.3-71.3168.3000110F134 I137 F142 M176 A177 K182 M183 L184 I277F134-I180 HydrophobicContact CD2-CG1 4.42Å; F134-I180 HydrophobicContact CE2-CD1 4.23Å; F134-I180 HydrophobicContact CE2-CG1 3.59Å; F134-I180 HydrophobicContact CZ-CG1 4.34Å; I137-I180 HydrophobicContact CD1-CD1 4.27Å; F142-I180 HydrophobicContact CE1-CG2 4.47Å; F142-I180 HydrophobicContact CE2-CG2 3.93Å; F142-I180 HydrophobicContact CZ-CG2 3.48Å; F142-I180 VanDerWaalsContact CZ-CG2 3.48Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.45Å; M176-I180 PolarHBondContact O-N 2.81Å; M176-I180 HydrophobicContact SD-CD1 4.37Å; A177-I180 PolarHBondContact O-N 2.69Å; I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 3.03Å; I180-M183 PolarHBondContact O-N 3.03Å; I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 WeakPolarHBondContact O-CD1 3.35Å; I180-L184 WeakPolarHBondContact O-CG 3.43Å; I180-L184 PolarHBondContact O-N 3.23Å; I180-L184 VanDerWaalsContact O-N 3.11Å; I180-I277 HydrophobicContact CB-CD1 4.4Å; I180-I277 HydrophobicContact CG2-CD1 3.8Å
181G78.1Confident78.4Confident2 Ų255.7 Ų55.72%0.02127%0.273CS..Hα-helixtrans-62.8-31.4177.500000114A177 R178 Q179 L184A177-G181 PolarHBondContact O-N 3.36Å; R178-G181 PolarHBondContact O-N 3.12Å; Q179-G181 VanDerWaalsContact C-N 3.31Å; Q179-G181 PolarHBondContact O-N 3.41Å; G181-L184 VanDerWaalsContact O-O 3.08Å
182K76.5Confident78.7Confident169 Ų16956.1 Ų56.174%0.73528%0.275SS*.Hα-helixtrans-83.2-29.6178.2-155.3178.2-173.3-179.20113.2R178 Q179 I180R178-K182 WeakPolarHBondContact O-CB 3.47Å; R178-K182 PolarHBondContact O-N 3.49Å; Q179-K182 PolarHBondContact O-N 3.38Å; I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 3.03Å
183M72.1Confident78.9Confident9 Ų957.7 Ų57.74%0.04428%0.276CS..Hα-helixtrans-71.5-45.7178.6-172.5-170170.300111.8I116 W120 M125 F134 F138 Q179 I180 N185I116-M183 HydrophobicContact CG2-CE 4.28Å; W120-M183 HydrophobicContact CB-CE 3.91Å; W120-M183 HydrophobicContact CD2-CE 3.96Å; W120-M183 HydrophobicContact CG-CE 3.61Å; M125-M183 HydrophobicContact CE-CB 3.53Å; M125-M183 HydrophobicContact CE-CG 3.75Å; M125-M183 HydrophobicContact CE-SD 4.29Å; F134-M183 HydrophobicContact CE1-SD 4.05Å; F134-M183 HydrophobicContact CZ-SD 3.61Å; F138-M183 HydrophobicContact CD2-CE 4.29Å; F138-M183 HydrophobicContact CE2-CE 3.83Å; Q179-M183 VanDerWaalsContact O-CB 3.28Å; Q179-M183 WeakPolarHBondContact O-CB 3.45Å; Q179-M183 PolarHBondContact O-N 3.13Å; I180-M183 PolarHBondContact O-N 3.03Å; M183-N185 PolarHBondContact O-N 3.16Å; M183-N185 VanDerWaalsContact O-N 3.14Å
184L70.6Confident78.6Confident5 Ų557 Ų573%0.02627%0.273CS..BIsolated β-bridgetrans-67.6115.5171.5-64158.5000104.2I115 I116 F142 I180 G181 A186 I231 L275I115-L184 HydrophobicContact CG2-CD2 4.14Å; I115-L184 CarbonylContact O-C 3.56Å; I115-L184 WeakPolarHBondContact O-CA 3.47Å; I116-L184 HydrophobicContact CG1-CD2 4.4Å; F142-L184 HydrophobicContact CD1-CD1 4.07Å; F142-L184 HydrophobicContact CD1-CD2 3.7Å; F142-L184 HydrophobicContact CD1-CG 4.46Å; F142-L184 HydrophobicContact CE1-CD1 3.31Å; F142-L184 HydrophobicContact CE1-CD2 3.85Å; F142-L184 HydrophobicContact CE1-CG 4.14Å; F142-L184 HydrophobicContact CG-CD2 4.32Å; F142-L184 HydrophobicContact CZ-CD1 3.64Å; I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 WeakPolarHBondContact O-CD1 3.35Å; I180-L184 WeakPolarHBondContact O-CG 3.43Å; I180-L184 PolarHBondContact O-N 3.23Å; I180-L184 VanDerWaalsContact O-N 3.11Å; G181-L184 VanDerWaalsContact O-O 3.08Å; L184-A186 HydrophobicContact CB-CB 4.17Å; L184-A186 PolarHBondContact O-N 3.02Å; L184-I231 HydrophobicContact CB-CD1 3.86Å; L184-I231 HydrophobicContact CD1-CD1 3.6Å; L184-I231 HydrophobicContact CG-CD1 4.4Å; L184-L275 HydrophobicContact CD1-CD2 4.21Å
185N60.7Low78.4Confident94 Ų9457.8 Ų57.850%0.50328%0.279SS..  trans-68.843172.2-165.437.9000110I115 M183I115-N185 PolarHBondContact O-N 3.25Å; M183-N185 PolarHBondContact O-N 3.16Å; M183-N185 VanDerWaalsContact O-N 3.14Å
186A60.5Low78.4Confident25 Ų2560.5 Ų60.521%0.20729%0.289CS..PPolyproline II helixtrans-80.3170.817300000108.5L184 L229 I231L184-A186 HydrophobicContact CB-CB 4.17Å; L184-A186 PolarHBondContact O-N 3.02Å; A186-L229 HydrophobicContact CB-CB 4.25Å; A186-L229 HydrophobicContact CB-CD2 4.49Å; A186-L229 HydrophobicContact CB-CG 4.29Å; A186-I231 HydrophobicContact CB-CD1 3.62Å; A186-I231 HydrophobicContact CB-CG1 4.04Å
187R66.8Low78.4Confident135 Ų13560.6 Ų60.651%0.50929%0.29SS..SBendtrans-61.6161171.5-64.7-176.2175.9-167.36.7110.3P189 E219R187-P189 VanDerWaalsContact O-N 3.17Å; R187-E219 VanDerWaalsContact CZ-CD 3.42Å; R187-E219 IonicContact CZ-OE1 3.52Å; R187-E219 IonicContact CZ-OE2 2.67Å; R187-E219 IonicContact NE-OE1 2.83Å; R187-E219 IonicContact NE-OE2 2.66Å; R187-E219 IonicContact NH1-OE1 2.64Å; R187-E219 IonicContact NH1-OE2 3.84Å; R187-E219 PolarHBondContact NH1-OE2 3.03Å; R187-E219 IonicContact NH2-OE1 3.71Å; R187-E219 PolarHBondContact NH2-OE1 3.15Å; R187-E219 IonicContact NH2-OE2 2.74Å; R187-E219 PolarHBondContact NH2-OE2 2.77Å; R187-E219 VanDerWaalsContact NH2-OE2 3.14Å
188E71.7Confident78.2Confident184 Ų18463 Ų6386%0.8630%0.302SS*.PPolyproline II helixtrans-46.8123-179.3-70.7-176.6165.800111.3K190E188-K190 PolarHBondContact O-N 2.82Å
189P79.3Confident77.9Confident42 Ų4259.2 Ų59.227%0.27329%0.293SS..PPolyproline II helixtrans-68.1131.4-175.826.3-33.4000110.1R187 I191 I231 I233R187-P189 VanDerWaalsContact O-N 3.17Å; P189-I191 PolarHBondContact O-N 3.37Å; P189-I231 HydrophobicContact CB-CB 4.33Å; P189-I231 HydrophobicContact CB-CG2 4.42Å; P189-I233 HydrophobicContact CB-CD1 4.09Å
190K85.8Confident77.7Confident61 Ų6167 Ų6727%0.26533%0.326SS..EExtended strand (participates in β ladder)trans-81.1106.5173.3-68.2-179.2179178.90108.7E188 L212 D215 I231 I233E188-K190 PolarHBondContact O-N 2.82Å; K190-L212 HydrophobicContact CB-CD2 4.32Å; K190-L212 HydrophobicContact CD-CD2 4.15Å; K190-L212 PolarHBondContact NZ-O 3.1Å; K190-D215 IonicContact NZ-OD2 2.7Å; K190-D215 PolarHBondContact NZ-OD2 3.43Å; K190-I231 PolarHBondContact N-O 3.39Å; K190-I233 PolarHBondContact O-N 2.99Å
191I86.6Confident77.5Confident80 Ų8074.9 Ų74.941%0.4136%0.357SS..EExtended strand (participates in β ladder)trans-95.7124.9176.3-56.3169.7000107.9R178 P189 I233R178-I191 HydrophobicContact CG-CD1 4.04Å; P189-I191 PolarHBondContact O-N 3.37Å; I191-I233 HydrophobicContact CG1-CB 4.26Å; I191-I233 HydrophobicContact CG1-CD1 4.11Å
192V88.5Confident77.3Confident17 Ų1780.9 Ų80.910%0.10339%0.393CS..EExtended strand (participates in β ladder)trans-130.2135178.4-171.10000108.8I197 L212 I233 F234 D235V192-I197 HydrophobicContact CB-CD1 4.45Å; V192-I197 HydrophobicContact CG1-CD1 3.61Å; V192-I197 HydrophobicContact CG1-CG1 3.42Å; V192-I197 VanDerWaalsContact CG1-CG1 3.42Å; V192-L212 HydrophobicContact CG1-CD1 4.47Å; V192-L212 HydrophobicContact CG2-CD1 3.95Å; V192-L212 HydrophobicContact CG2-CD2 3.46Å; V192-L212 VanDerWaalsContact CG2-CD2 3.46Å; V192-L212 HydrophobicContact CG2-CG 4.32Å; V192-I233 PolarHBondContact N-O 3.46Å; V192-F234 HydrophobicContact CB-CD1 4.31Å; V192-F234 HydrophobicContact CB-CE1 4.43Å; V192-F234 WeakPolarHBondContact O-CA 3.36Å; V192-D235 PolarHBondContact O-N 3.41Å
193N87.3Confident77.6Confident65 Ų6574.3 Ų74.335%0.34837%0.373SS..EExtended strand (participates in β ladder)trans-85.6138172.8-161.4-2.5000110.2P195 E196N193-P195 VanDerWaalsContact OD1-CD 3.26Å; N193-P195 WeakPolarHBondContact OD1-CD 3.35Å; N193-E196 HydrophobicContact CB-CB 4.21Å; N193-E196 PolarHBondContact N-OE2 3.41Å; N193-E196 WeakPolarHBondContact O-CB 3.3Å; N193-E196 PolarHBondContact O-N 3.25Å
194G82.3Confident78.2Confident0 Ų077.6 Ų77.60%039%0.388CS..G310 helixtrans-49.2-52-178.500000113.2E196 I197 D235 I240G194-E196 VanDerWaalsContact C-N 3.26Å; G194-E196 PolarHBondContact O-N 2.58Å; G194-I197 PolarHBondContact O-N 3.19Å; G194-D235 WeakPolarHBondContact CA-O 3.43Å; G194-D235 PolarHBondContact N-O 3.41Å; G194-I240 WeakPolarHBondContact O-CG2 3.31Å
195P82.8Confident79Confident61 Ų6177.4 Ų77.440%0.39639%0.387SS..G310 helixtrans-61.8-27.6177.5-24.835.6000114.8N193 I197 L198 A239N193-P195 VanDerWaalsContact OD1-CD 3.26Å; N193-P195 WeakPolarHBondContact OD1-CD 3.35Å; P195-I197 PolarHBondContact O-N 3.07Å; P195-L198 PolarHBondContact O-N 2.9Å; P195-L198 VanDerWaalsContact O-N 3.16Å; P195-A239 HydrophobicContact CG-CB 4.16Å
196E84.4Confident80.2Confident134 Ų13474.8 Ų74.863%0.62637%0.372SS*.G310 helixtrans-66.3-24.6-178.6-167.1-178.417400112.3N193 G194 L198N193-E196 HydrophobicContact CB-CB 4.21Å; N193-E196 PolarHBondContact N-OE2 3.41Å; N193-E196 WeakPolarHBondContact O-CB 3.3Å; N193-E196 PolarHBondContact O-N 3.25Å; G194-E196 VanDerWaalsContact C-N 3.26Å; G194-E196 PolarHBondContact O-N 2.58Å; E196-L198 VanDerWaalsContact C-N 3.33Å
197I83.3Confident81.5Confident3 Ų375 Ų752%0.01537%0.374CS..G310 helixtrans-77.9-23.2179.2-60.6165.7000111.2V192 G194 P195 N199 S205 I209 F234 I240V192-I197 HydrophobicContact CB-CD1 4.45Å; V192-I197 HydrophobicContact CG1-CD1 3.61Å; V192-I197 HydrophobicContact CG1-CG1 3.42Å; V192-I197 VanDerWaalsContact CG1-CG1 3.42Å; G194-I197 PolarHBondContact O-N 3.19Å; P195-I197 PolarHBondContact O-N 3.07Å; I197-N199 PolarHBondContact O-N 2.86Å; I197-S205 WeakPolarHBondContact O-CA 3.47Å; I197-S205 VanDerWaalsContact O-CB 3.25Å; I197-S205 WeakPolarHBondContact O-CB 3.41Å; I197-S205 PolarHBondContact O-OG 3.5Å; I197-I209 HydrophobicContact CG2-CD1 4.05Å; I197-I209 HydrophobicContact CG2-CG1 3.74Å; I197-F234 HydrophobicContact CD1-CD1 3.73Å; I197-F234 HydrophobicContact CD1-CE1 3.53Å; I197-I240 HydrophobicContact CB-CG2 4.22Å; I197-I240 HydrophobicContact CD1-CD1 4.09Å; I197-I240 HydrophobicContact CD1-CG2 4.39Å
198L80.6Confident82.5Confident50 Ų5070.8 Ų70.826%0.26236%0.361SS..  trans-87.4101.9-172.5-65.4172.1000111.2P195 E196 I240P195-L198 PolarHBondContact O-N 2.9Å; P195-L198 VanDerWaalsContact O-N 3.16Å; E196-L198 VanDerWaalsContact C-N 3.33Å; L198-I240 HydrophobicContact CD1-CG2 4.34Å; L198-I240 HydrophobicContact CD2-CG2 4.24Å; L198-I240 HydrophobicContact CG-CG2 4.04Å
199N77.8Confident83.4Confident63 Ų6362 Ų6234%0.33732%0.32SS..  trans-96.2152.4168.8-79.5-8000111.9I197 Y201 E204 S205I197-N199 PolarHBondContact O-N 2.86Å; N199-Y201 PolarHBondContact O-N 3.17Å; N199-E204 HydrophobicContact CB-CB 4.03Å; N199-E204 PolarHBondContact ND2-OE2 3.36Å; N199-S205 PolarHBondContact N-OG 2.87Å; N199-S205 PolarHBondContact O-OG 2.87Å
200K74.6Confident83.8Confident208 Ų20865.1 Ų65.190%0.90433%0.327SS*.SBendtrans-69.8-20.9175.4-68.5-178.2179.1177.60112.9
201Y76.9Confident84Confident165 Ų16568.9 Ų68.965%0.64734%0.343SS*.SBendtrans-84125.1179.8-61.5-75.8000110.6N199 G203 E204N199-Y201 PolarHBondContact O-N 3.17Å; Y201-G203 PolarHBondContact O-N 3.34Å; Y201-E204 VanDerWaalsContact CB-CD 3.47Å; Y201-E204 WeakPolarHBondContact CD2-OE2 3.31Å; Y201-E204 PolarHBondContact O-N 3.1Å
202V74.9Confident84Confident129 Ų12966.4 Ų66.478%0.78233%0.33SS*.THydrogen-bonded Turntrans-60.5129.7-179.5-179.60000109.9E204V202-E204 VanDerWaalsContact C-N 3.35Å; V202-E204 PolarHBondContact O-N 3.42Å
203G81.6Confident84Confident30 Ų3065.6 Ų65.631%0.30933%0.325SS..THydrogen-bonded Turntrans88.6-18.6178.200000115.6Y201 E206 A207Y201-G203 PolarHBondContact O-N 3.34Å; G203-E206 PolarHBondContact O-N 3.31Å; G203-A207 PolarHBondContact O-N 2.9Å
204E85.3Confident84.1Confident79 Ų7964 Ų6437%0.36932%0.321SS..Hα-helixtrans-68.2-42.3176.5-73.6-170173.700112.1N199 Y201 V202 E206 A207 N208N199-E204 HydrophobicContact CB-CB 4.03Å; N199-E204 PolarHBondContact ND2-OE2 3.36Å; Y201-E204 VanDerWaalsContact CB-CD 3.47Å; Y201-E204 WeakPolarHBondContact CD2-OE2 3.31Å; Y201-E204 PolarHBondContact O-N 3.1Å; V202-E204 VanDerWaalsContact C-N 3.35Å; V202-E204 PolarHBondContact O-N 3.42Å; E204-E206 PolarHBondContact O-N 3Å; E204-A207 PolarHBondContact O-N 3.44Å; E204-A207 VanDerWaalsContact O-N 3.11Å; E204-N208 VanDerWaalsContact O-CG 3.29Å; E204-N208 PolarHBondContact O-N 3.47Å
205S86.6Confident84.2Confident1 Ų168.1 Ų68.11%0.00734%0.343CS..Hα-helixtrans-58.8-38177.4-47.60000111.8I197 N199 I209I197-S205 WeakPolarHBondContact O-CA 3.47Å; I197-S205 VanDerWaalsContact O-CB 3.25Å; I197-S205 WeakPolarHBondContact O-CB 3.41Å; I197-S205 PolarHBondContact O-OG 3.5Å; N199-S205 PolarHBondContact N-OG 2.87Å; N199-S205 PolarHBondContact O-OG 2.87Å; S205-I209 PolarHBondContact O-N 3.26Å
206E86.6Confident84.3Confident39 Ų3965.2 Ų65.218%0.18233%0.325CS..Hα-helixtrans-70.3-41.9174.8-66.4174.1-155.600112.2G203 E204 N208 I209 R210 T256 Q260G203-E206 PolarHBondContact O-N 3.31Å; E204-E206 PolarHBondContact O-N 3Å; E206-N208 VanDerWaalsContact C-N 3.29Å; E206-N208 PolarHBondContact O-N 2.95Å; E206-I209 PolarHBondContact O-N 2.82Å; E206-R210 WeakPolarHBondContact O-CG 3.38Å; E206-R210 PolarHBondContact O-N 3.27Å; E206-R210 IonicContact OE2-NH2 3.07Å; E206-R210 PolarHBondContact OE2-NH2 3.2Å; E206-R210 VanDerWaalsContact OE2-NH2 3.11Å; E206-T256 WeakPolarHBondContact OE1-CB 3.28Å; E206-T256 PolarHBondContact OE1-OG1 3.02Å; E206-Q260 HydrophobicContact CB-CG 4.24Å; E206-Q260 HydrophobicContact CG-CB 4.3Å
207A88.4Confident84.3Confident30 Ų3060.1 Ų60.125%0.24830%0.301CS..Hα-helixtrans-62.2-38.4177.100000111.4G203 E204 R210 K211G203-A207 PolarHBondContact O-N 2.9Å; E204-A207 PolarHBondContact O-N 3.44Å; E204-A207 VanDerWaalsContact O-N 3.11Å; A207-R210 PolarHBondContact O-N 3Å; A207-K211 VanDerWaalsContact O-CG 3.31Å; A207-K211 WeakPolarHBondContact O-CG 3.24Å; A207-K211 PolarHBondContact O-N 3.45Å
208N88.3Confident84.3Confident46 Ų4663.9 Ų63.925%0.24632%0.321CS..Hα-helixtrans-62.6-43.2175.5-70.2-16000111.6E204 E206 K211 L212E204-N208 VanDerWaalsContact O-CG 3.29Å; E204-N208 PolarHBondContact O-N 3.47Å; E206-N208 VanDerWaalsContact C-N 3.29Å; E206-N208 PolarHBondContact O-N 2.95Å; N208-K211 PolarHBondContact O-N 2.97Å; N208-L212 PolarHBondContact O-N 3.01Å
209I88.8Confident84.3Confident0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-61.5-45.6171.9-68-177.9000110.8I197 S205 E206 K211 L212 F213 V257 Q260 L261I197-I209 HydrophobicContact CG2-CD1 4.05Å; I197-I209 HydrophobicContact CG2-CG1 3.74Å; S205-I209 PolarHBondContact O-N 3.26Å; E206-I209 PolarHBondContact O-N 2.82Å; I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.44Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 3.48Å; I209-L212 VanDerWaalsContact O-N 3.16Å; I209-F213 HydrophobicContact CG2-CD2 4.05Å; I209-F213 HydrophobicContact CG2-CE2 4Å; I209-F213 VanDerWaalsContact O-CD2 3.32Å; I209-F213 WeakPolarHBondContact O-CD2 3.29Å; I209-F213 PolarHBondContact O-N 3.46Å; I209-V257 HydrophobicContact CD1-CB 4.5Å; I209-V257 HydrophobicContact CD1-CG1 3.5Å; I209-V257 VanDerWaalsContact CD1-CG1 3.5Å; I209-Q260 HydrophobicContact CB-CG 4.35Å; I209-Q260 HydrophobicContact CG2-CG 4.1Å; I209-L261 HydrophobicContact CD1-CB 4.45Å; I209-L261 HydrophobicContact CG2-CD1 4.35Å
210R88.3Confident84.4Confident107 Ų10761.2 Ų61.240%0.40431%0.305SS..Hα-helixtrans-60.6-41.1178.7-67.5-176-141.1132.29.3112.2E206 A207 L212 F213 A214 Q260E206-R210 WeakPolarHBondContact O-CG 3.38Å; E206-R210 PolarHBondContact O-N 3.27Å; E206-R210 IonicContact OE2-NH2 3.07Å; E206-R210 PolarHBondContact OE2-NH2 3.2Å; E206-R210 VanDerWaalsContact OE2-NH2 3.11Å; A207-R210 PolarHBondContact O-N 3Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.34Å; R210-F213 PolarHBondContact O-N 2.87Å; R210-A214 WeakPolarHBondContact O-CB 3.27Å; R210-A214 PolarHBondContact O-N 3.4Å; R210-Q260 HydrophobicContact CG-CG 4.29Å
211K89.3Confident84.7Confident140 Ų14057.3 Ų57.361%0.60929%0.288SS*.Hα-helixtrans-62-37.9176.2-72.4172.9-174.7174.90112.3A207 N208 I209 F213 A214A207-K211 VanDerWaalsContact O-CG 3.31Å; A207-K211 WeakPolarHBondContact O-CG 3.24Å; A207-K211 PolarHBondContact O-N 3.45Å; N208-K211 PolarHBondContact O-N 2.97Å; I209-K211 VanDerWaalsContact C-N 3.32Å; I209-K211 PolarHBondContact O-N 3.44Å; K211-F213 VanDerWaalsContact C-N 3.31Å; K211-F213 PolarHBondContact O-N 3.26Å; K211-A214 PolarHBondContact O-N 3Å
212L88Confident84.7Confident27 Ų2759.3 Ų59.314%0.14130%0.295CS..Hα-helixtrans-59-41.5177.1-89.7151.5000112.7K190 V192 N208 I209 R210K190-L212 HydrophobicContact CB-CD2 4.32Å; K190-L212 HydrophobicContact CD-CD2 4.15Å; K190-L212 PolarHBondContact NZ-O 3.1Å; V192-L212 HydrophobicContact CG1-CD1 4.47Å; V192-L212 HydrophobicContact CG2-CD1 3.95Å; V192-L212 HydrophobicContact CG2-CD2 3.46Å; V192-L212 VanDerWaalsContact CG2-CD2 3.46Å; V192-L212 HydrophobicContact CG2-CG 4.32Å; N208-L212 PolarHBondContact O-N 3.01Å; I209-L212 WeakPolarHBondContact O-CB 3.47Å; I209-L212 PolarHBondContact O-N 3.48Å; I209-L212 VanDerWaalsContact O-N 3.16Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 3.34Å
213F88.7Confident84.4Confident0 Ų056.6 Ų56.60%028%0.275CS..Hα-helixtrans-88.4-17.5-179.2-71.3-87.7000114.3I209 R210 K211 D215 A216 E217 I232 F234 L261 K264 I274 V276I209-F213 HydrophobicContact CG2-CD2 4.05Å; I209-F213 HydrophobicContact CG2-CE2 4Å; I209-F213 VanDerWaalsContact O-CD2 3.32Å; I209-F213 WeakPolarHBondContact O-CD2 3.29Å; I209-F213 PolarHBondContact O-N 3.46Å; R210-F213 PolarHBondContact O-N 2.87Å; K211-F213 VanDerWaalsContact C-N 3.31Å; K211-F213 PolarHBondContact O-N 3.26Å; F213-D215 PolarHBondContact O-N 3.13Å; F213-A216 PolarHBondContact O-N 3.39Å; F213-A216 VanDerWaalsContact O-N 3.12Å; F213-E217 PolarHBondContact O-N 3.3Å; F213-I232 HydrophobicContact CD1-CD1 3.71Å; F213-I232 HydrophobicContact CD2-CD1 4.43Å; F213-I232 HydrophobicContact CE1-CD1 3.48Å; F213-I232 VanDerWaalsContact CE1-CD1 3.48Å; F213-I232 HydrophobicContact CE2-CD1 4.23Å; F213-I232 HydrophobicContact CG-CD1 4.19Å; F213-I232 HydrophobicContact CZ-CD1 3.76Å; F213-F234 HydrophobicContact CE2-CZ 4.46Å; F213-L261 HydrophobicContact CE2-CD1 3.76Å; F213-L261 HydrophobicContact CZ-CD1 3.89Å; F213-K264 HydrophobicContact CB-CD 4.18Å; F213-K264 HydrophobicContact CD1-CB 4.38Å; F213-K264 HydrophobicContact CD2-CB 4Å; F213-K264 HydrophobicContact CD2-CG 4.23Å; F213-K264 HydrophobicContact CE2-CB 4.26Å; F213-K264 HydrophobicContact CG-CB 4.1Å; F213-K264 HydrophobicContact CG-CG 4.43Å; F213-I274 HydrophobicContact CD1-CD1 4.34Å; F213-I274 HydrophobicContact CE1-CD1 4Å; F213-V276 HydrophobicContact CE1-CG2 4.13Å; F213-V276 HydrophobicContact CZ-CG2 4.17Å
214A88Confident84Confident31 Ų3156.5 Ų56.526%0.25627%0.274SS..Hα-helixtrans-56.4-45.9-175.100000113.2R210 K211 A216 E217 D218R210-A214 WeakPolarHBondContact O-CB 3.27Å; R210-A214 PolarHBondContact O-N 3.4Å; K211-A214 PolarHBondContact O-N 3Å; A214-A216 VanDerWaalsContact C-N 3.27Å; A214-A216 PolarHBondContact O-N 3.15Å; A214-E217 PolarHBondContact O-N 2.9Å; A214-D218 PolarHBondContact O-N 2.76Å
215D85.1Confident83Confident87 Ų8757.1 Ų57.147%0.46529%0.293SS..Hα-helixtrans-62.1-36.3180-59.4-21.2000112.3K190 F213 E219K190-D215 IonicContact NZ-OD2 2.7Å; K190-D215 PolarHBondContact NZ-OD2 3.43Å; F213-D215 PolarHBondContact O-N 3.13Å; D215-E219 WeakPolarHBondContact O-CB 3.34Å; D215-E219 PolarHBondContact O-N 3.48Å
216A84.4Confident81.9Confident1 Ų161.7 Ų61.71%0.00832%0.317CS..Hα-helixtrans-73.2-37178.100000111.7F213 A214 Q220 H230 N273 I274F213-A216 PolarHBondContact O-N 3.39Å; F213-A216 VanDerWaalsContact O-N 3.12Å; A214-A216 VanDerWaalsContact C-N 3.27Å; A214-A216 PolarHBondContact O-N 3.15Å; A216-Q220 WeakPolarHBondContact O-CB 3.32Å; A216-Q220 PolarHBondContact O-N 3.43Å; A216-H230 HydrophobicContact CB-CB 3.86Å; A216-N273 PolarHBondContact O-ND2 3.29Å; A216-I274 HydrophobicContact CB-CG2 3.67Å
217E84.3Confident81.1Confident27 Ų2760.7 Ų60.713%0.12632%0.315CS..Hα-helixtrans-64.7-48.6174.6-76.2172.8-169.700112.1F213 A214 E219 Q220 K221 K264 L271F213-E217 PolarHBondContact O-N 3.3Å; A214-E217 PolarHBondContact O-N 2.9Å; E217-E219 VanDerWaalsContact C-N 3.29Å; E217-E219 PolarHBondContact O-N 3.15Å; E217-Q220 PolarHBondContact O-N 3.02Å; E217-K221 WeakPolarHBondContact O-CG 3.29Å; E217-K221 PolarHBondContact O-N 3.45Å; E217-K264 WeakPolarHBondContact OE1-CD 3.44Å; E217-K264 WeakPolarHBondContact OE1-CE 3.46Å; E217-K264 IonicContact OE1-NZ 3.43Å; E217-K264 PolarHBondContact OE1-NZ 3.16Å; E217-K264 IonicContact OE2-NZ 3.1Å; E217-K264 PolarHBondContact OE2-NZ 2.84Å; E217-L271 HydrophobicContact CB-CD2 4.33Å; E217-L271 HydrophobicContact CG-CD1 3.72Å; E217-L271 HydrophobicContact CG-CD2 3.7Å; E217-L271 HydrophobicContact CG-CG 4.19Å
218D84.2Confident80.4Confident82 Ų8260.6 Ų60.644%0.43932%0.316SS..Hα-helixtrans-63-38.8179.9-76.2-16.2000111.3A214 K221 R222A214-D218 PolarHBondContact O-N 2.76Å; D218-K221 PolarHBondContact O-N 3.32Å; D218-R222 WeakPolarHBondContact O-CB 3.32Å; D218-R222 VanDerWaalsContact O-CG 3.24Å; D218-R222 WeakPolarHBondContact O-CG 3.33Å; D218-R222 PolarHBondContact O-N 3.39Å
219E80.6Confident80.1Confident16 Ų1658.9 Ų58.98%0.07531%0.307CS..Hα-helixtrans-71.4-39176.4-167.4171.8165.700112.7R187 D215 E217 K221 R222 L223 S227 G228 H230R187-E219 VanDerWaalsContact CZ-CD 3.42Å; R187-E219 IonicContact CZ-OE1 3.52Å; R187-E219 IonicContact CZ-OE2 2.67Å; R187-E219 IonicContact NE-OE1 2.83Å; R187-E219 IonicContact NE-OE2 2.66Å; R187-E219 IonicContact NH1-OE1 2.64Å; R187-E219 IonicContact NH1-OE2 3.84Å; R187-E219 PolarHBondContact NH1-OE2 3.03Å; R187-E219 IonicContact NH2-OE1 3.71Å; R187-E219 PolarHBondContact NH2-OE1 3.15Å; R187-E219 IonicContact NH2-OE2 2.74Å; R187-E219 PolarHBondContact NH2-OE2 2.77Å; R187-E219 VanDerWaalsContact NH2-OE2 3.14Å; D215-E219 WeakPolarHBondContact O-CB 3.34Å; D215-E219 PolarHBondContact O-N 3.48Å; E217-E219 VanDerWaalsContact C-N 3.29Å; E217-E219 PolarHBondContact O-N 3.15Å; E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 2.63Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-L223 HydrophobicContact CG-CD1 3.85Å; E219-L223 PolarHBondContact O-N 2.84Å; E219-S227 PolarHBondContact O-OG 2.94Å; E219-G228 PolarHBondContact OE1-N 3.04Å; E219-H230 IonicContact OE2-CD2 3.44Å; E219-H230 IonicContact OE2-CE1 2.66Å; E219-H230 PolarHBondContact OE2-CE1 3.13Å; E219-H230 IonicContact OE2-NE2 2.85Å; E219-H230 PolarHBondContact OE2-NE2 3.41Å
220Q80.4Confident79.9Confident41 Ų4159.8 Ų59.819%0.19231%0.311CS..Hα-helixtrans-60.2-41173.3-173.361.230.300111A216 E217 G224 S227 L271 N273A216-Q220 WeakPolarHBondContact O-CB 3.32Å; A216-Q220 PolarHBondContact O-N 3.43Å; E217-Q220 PolarHBondContact O-N 3.02Å; Q220-G224 PolarHBondContact NE2-O 2.72Å; Q220-G224 VanDerWaalsContact O-CA 3.25Å; Q220-G224 WeakPolarHBondContact O-CA 3.42Å; Q220-G224 PolarHBondContact O-N 2.95Å; Q220-G224 PolarHBondContact OE1-O 3.07Å; Q220-S227 WeakPolarHBondContact CA-OG 3.5Å; Q220-L271 HydrophobicContact CB-CD2 3.98Å; Q220-L271 HydrophobicContact CG-CD2 4.28Å; Q220-N273 PolarHBondContact OE1-ND2 3.02Å; Q220-N273 PolarHBondContact OE1-OD1 3.01Å
221K80.3Confident79.9Confident125 Ų12554.9 Ų54.954%0.54329%0.293SS..Hα-helixtrans-67-35177.1-73.4174.7-178.1178.30112.8E217 D218 E219 E269E217-K221 WeakPolarHBondContact O-CG 3.29Å; E217-K221 PolarHBondContact O-N 3.45Å; D218-K221 PolarHBondContact O-N 3.32Å; E219-K221 VanDerWaalsContact C-N 3.28Å; E219-K221 PolarHBondContact O-N 2.63Å; K221-E269 WeakPolarHBondContact CE-OE1 3.47Å; K221-E269 WeakPolarHBondContact CE-OE2 3.43Å; K221-E269 IonicContact NZ-OE1 2.7Å; K221-E269 PolarHBondContact NZ-OE1 3.42Å; K221-E269 VanDerWaalsContact NZ-OE1 3.1Å; K221-E269 IonicContact NZ-OE2 2.66Å; K221-E269 PolarHBondContact NZ-OE2 3.45Å
222R76.8Confident79.9Confident208 Ų20848.3 Ų48.379%0.78526%0.264SS*.Hα-helixtrans-79.2-42.9-179.5-73.1175-172.8-170.85.5113.8D218 E219D218-R222 WeakPolarHBondContact O-CB 3.32Å; D218-R222 VanDerWaalsContact O-CG 3.24Å; D218-R222 WeakPolarHBondContact O-CG 3.33Å; D218-R222 PolarHBondContact O-N 3.39Å; E219-R222 PolarHBondContact O-N 3.36Å
223L68.4Low80.1Confident72 Ų7247 Ų4738%0.37726%0.258SS..Hα-helixtrans-114.1-9.5-167.7-70.2164.7000113.8E219 A225 N226 S227E219-L223 HydrophobicContact CG-CD1 3.85Å; E219-L223 PolarHBondContact O-N 2.84Å; L223-A225 PolarHBondContact O-N 3.34Å; L223-N226 PolarHBondContact O-N 3.44Å; L223-N226 VanDerWaalsContact O-N 3.09Å; L223-S227 WeakPolarHBondContact CB-OG 3.35Å
224G72.8Confident80.2Confident28 Ų2847 Ų4729%0.28926%0.258SS..G310 helixtrans57.3-120.1174.200000112.9Q220 N226 S227Q220-G224 PolarHBondContact NE2-O 2.72Å; Q220-G224 VanDerWaalsContact O-CA 3.25Å; Q220-G224 WeakPolarHBondContact O-CA 3.42Å; Q220-G224 PolarHBondContact O-N 2.95Å; Q220-G224 PolarHBondContact OE1-O 3.07Å; G224-N226 PolarHBondContact O-N 3.08Å; G224-S227 PolarHBondContact N-OG 2.86Å; G224-S227 PolarHBondContact O-N 3.43Å; G224-S227 PolarHBondContact O-OG 3.11Å; G224-S227 VanDerWaalsContact O-OG 3.08Å
225A64.1Low80.4Confident91 Ų9147.4 Ų47.475%0.75226%0.255SS*.G310 helixtrans-70.4-13.8-178.800000114L223L223-A225 PolarHBondContact O-N 3.34Å
226N64.6Low80.6Confident97 Ų9747.1 Ų47.152%0.51925%0.251SS..G310 helixtrans-1009.6179.5-62.1-45.9000113L223 G224L223-N226 PolarHBondContact O-N 3.44Å; L223-N226 VanDerWaalsContact O-N 3.09Å; G224-N226 PolarHBondContact O-N 3.08Å
227S70Confident80.8Confident19 Ų1947.1 Ų47.113%0.13325%0.251CS..PPolyproline II helixtrans-65.4140.4178.8-60.70000111.4E219 Q220 L223 G224E219-S227 PolarHBondContact O-OG 2.94Å; Q220-S227 WeakPolarHBondContact CA-OG 3.5Å; L223-S227 WeakPolarHBondContact CB-OG 3.35Å; G224-S227 PolarHBondContact N-OG 2.86Å; G224-S227 PolarHBondContact O-N 3.43Å; G224-S227 PolarHBondContact O-OG 3.11Å; G224-S227 VanDerWaalsContact O-OG 3.08Å
228G73.1Confident81Confident27 Ų2747 Ų4728%0.27825%0.251SS..PPolyproline II helixtrans-65.9154.1175.700000111.9E219 H230E219-G228 PolarHBondContact OE1-N 3.04Å; G228-H230 PolarHBondContact O-CD2 3.27Å; G228-H230 PolarHBondContact O-N 3.19Å
229L81.5Confident81Confident10 Ų1044 Ų445%0.05224%0.238CC..PPolyproline II helixtrans-71.3124.4174.6174.552.5000110.7I115 A186 I231 N273 L275I115-L229 HydrophobicContact CG2-CD2 4.25Å; A186-L229 HydrophobicContact CB-CB 4.25Å; A186-L229 HydrophobicContact CB-CD2 4.49Å; A186-L229 HydrophobicContact CB-CG 4.29Å; L229-I231 HydrophobicContact CD2-CD1 4.38Å; L229-I231 HydrophobicContact CD2-CG1 4.23Å; L229-I231 HydrophobicContact CG-CG1 3.96Å; L229-N273 WeakPolarHBondContact CA-O 3.42Å; L229-N273 VanDerWaalsContact CD1-O 3.28Å; L229-N273 WeakPolarHBondContact CD1-O 3.46Å; L229-L275 HydrophobicContact CD1-CB 3.8Å
230H85.8Confident81.2Confident19 Ų1943.3 Ų43.39%0.08824%0.235CC..EExtended strand (participates in β ladder)trans-100.4121.7170.1-73.2-91.3000110.5A216 E219 G228 N273 I274 L275A216-H230 HydrophobicContact CB-CB 3.86Å; E219-H230 IonicContact OE2-CD2 3.44Å; E219-H230 IonicContact OE2-CE1 2.66Å; E219-H230 PolarHBondContact OE2-CE1 3.13Å; E219-H230 IonicContact OE2-NE2 2.85Å; E219-H230 PolarHBondContact OE2-NE2 3.41Å; G228-H230 PolarHBondContact O-CD2 3.27Å; G228-H230 PolarHBondContact O-N 3.19Å; H230-N273 PolarHBondContact N-O 2.63Å; H230-I274 HydrophobicContact CB-CG2 4.49Å; H230-I274 CarbonylContact O-C 3.58Å; H230-I274 WeakPolarHBondContact O-CA 3.41Å; H230-L275 PolarHBondContact O-N 3.36Å
231I87.3Confident81.4Confident4 Ų441.3 Ų41.32%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-105.2124.7-180-53.9177.2000109L184 A186 P189 K190 L229 I233 L275 I277L184-I231 HydrophobicContact CB-CD1 3.86Å; L184-I231 HydrophobicContact CD1-CD1 3.6Å; L184-I231 HydrophobicContact CG-CD1 4.4Å; A186-I231 HydrophobicContact CB-CD1 3.62Å; A186-I231 HydrophobicContact CB-CG1 4.04Å; P189-I231 HydrophobicContact CB-CB 4.33Å; P189-I231 HydrophobicContact CB-CG2 4.42Å; K190-I231 PolarHBondContact N-O 3.39Å; L229-I231 HydrophobicContact CD2-CD1 4.38Å; L229-I231 HydrophobicContact CD2-CG1 4.23Å; L229-I231 HydrophobicContact CG-CG1 3.96Å; I231-I233 HydrophobicContact CG2-CD1 4.48Å; I231-I233 HydrophobicContact CG2-CG1 4.05Å; I231-L275 WeakPolarHBondContact CA-O 3.26Å; I231-I277 HydrophobicContact CG2-CD1 4.14Å
232I90.4Very high81.4Confident2 Ų239.9 Ų39.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-117.4120.4175.8-54.6173.3000107.9F213 F234 L275 V276 I277F213-I232 HydrophobicContact CD1-CD1 3.71Å; F213-I232 HydrophobicContact CD2-CD1 4.43Å; F213-I232 HydrophobicContact CE1-CD1 3.48Å; F213-I232 VanDerWaalsContact CE1-CD1 3.48Å; F213-I232 HydrophobicContact CE2-CD1 4.23Å; F213-I232 HydrophobicContact CG-CD1 4.19Å; F213-I232 HydrophobicContact CZ-CD1 3.76Å; I232-F234 HydrophobicContact CB-CE2 4.42Å; I232-F234 HydrophobicContact CG2-CD2 4.13Å; I232-F234 HydrophobicContact CG2-CE1 4.23Å; I232-F234 HydrophobicContact CG2-CE2 3.5Å; I232-F234 HydrophobicContact CG2-CZ 3.56Å; I232-L275 PolarHBondContact N-O 3.28Å; I232-V276 CarbonylContact O-C 3.53Å; I232-V276 WeakPolarHBondContact O-CA 3.34Å; I232-I277 PolarHBondContact O-N 3.38Å
233I91.3Very high81.5Confident1 Ų135 Ų351%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-108.6118.9-179.2-57176.6000108.1A177 P189 K190 I191 V192 I231 I277 M279A177-I233 HydrophobicContact CB-CD1 4.33Å; A177-I233 HydrophobicContact CB-CG2 3.97Å; A177-I233 WeakPolarHBondContact O-CD1 3.42Å; P189-I233 HydrophobicContact CB-CD1 4.09Å; K190-I233 PolarHBondContact O-N 2.99Å; I191-I233 HydrophobicContact CG1-CB 4.26Å; I191-I233 HydrophobicContact CG1-CD1 4.11Å; V192-I233 PolarHBondContact N-O 3.46Å; I231-I233 HydrophobicContact CG2-CD1 4.48Å; I231-I233 HydrophobicContact CG2-CG1 4.05Å; I233-I277 CarbonylContact C-O 3.52Å; I233-I277 WeakPolarHBondContact CA-O 3.43Å; I233-I277 HydrophobicContact CG1-CB 4.35Å; I233-I277 HydrophobicContact CG1-CD1 4.49Å; I233-M279 HydrophobicContact CG2-CE 3.54Å; I233-M279 HydrophobicContact CG2-SD 4.48Å
234F91.7Very high81.7Confident0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-103112.6172-66.1-74.3000109.3V192 I197 F213 I232 I237 I240 L261 V276 I277 G278 M279V192-F234 HydrophobicContact CB-CD1 4.31Å; V192-F234 HydrophobicContact CB-CE1 4.43Å; V192-F234 WeakPolarHBondContact O-CA 3.36Å; I197-F234 HydrophobicContact CD1-CD1 3.73Å; I197-F234 HydrophobicContact CD1-CE1 3.53Å; F213-F234 HydrophobicContact CE2-CZ 4.46Å; I232-F234 HydrophobicContact CB-CE2 4.42Å; I232-F234 HydrophobicContact CG2-CD2 4.13Å; I232-F234 HydrophobicContact CG2-CE1 4.23Å; I232-F234 HydrophobicContact CG2-CE2 3.5Å; I232-F234 HydrophobicContact CG2-CZ 3.56Å; F234-I237 HydrophobicContact CB-CB 4.26Å; F234-I237 HydrophobicContact CB-CD1 4.21Å; F234-I237 HydrophobicContact CB-CG1 4.38Å; F234-I237 HydrophobicContact CD2-CD1 4.49Å; F234-I240 HydrophobicContact CD1-CD1 4.25Å; F234-L261 HydrophobicContact CE2-CD1 4.19Å; F234-L261 HydrophobicContact CZ-CD1 4.13Å; F234-V276 HydrophobicContact CD2-CG1 3.58Å; F234-V276 HydrophobicContact CE2-CG1 3.63Å; F234-I277 PolarHBondContact N-O 3.1Å; F234-G278 CarbonylContact O-C 3.59Å; F234-M279 PolarHBondContact O-N 2.96Å
235D90.7Very high81.3Confident39 Ų3938 Ų3821%0.20923%0.225CC..EExtended strand (participates in β ladder)trans-83.8147.8165.8-148.7-14.2000110.1T174 V192 G194 I237 M279T174-D235 WeakPolarHBondContact CG2-OD2 3.43Å; T174-D235 PolarHBondContact OG1-OD2 2.77Å; T174-D235 VanDerWaalsContact OG1-OD2 3.12Å; V192-D235 PolarHBondContact O-N 3.41Å; G194-D235 WeakPolarHBondContact CA-O 3.43Å; G194-D235 PolarHBondContact N-O 3.41Å; D235-I237 VanDerWaalsContact C-N 3.32Å; D235-I237 PolarHBondContact O-N 2.84Å; D235-M279 HydrophobicContact CB-CE 3.63Å; D235-M279 VanDerWaalsContact CG-CE 3.49Å
236E89.1Confident81.1Confident81 Ų8137.5 Ų37.538%0.37922%0.216SC..SBendtrans48.249.9-177.7-57.6-172147.700113.4D238 A239 M279E236-D238 PolarHBondContact O-N 3.35Å; E236-D238 VanDerWaalsContact O-N 3.08Å; E236-A239 VanDerWaalsContact O-CB 3.26Å; E236-A239 WeakPolarHBondContact O-CB 3.44Å; E236-A239 PolarHBondContact O-N 2.86Å; E236-M279 WeakPolarHBondContact CA-O 3.44Å; E236-M279 PolarHBondContact N-O 3.19Å; E236-M279 VanDerWaalsContact N-O 3.16Å
237I89.8Confident80.7Confident1 Ų139.3 Ų39.31%0.00522%0.223CC..Hα-helixtrans-60.4-22.5-177.4-168164.3000112.7L164 F234 D235 A239 I240 C241 M279 I286L164-I237 HydrophobicContact CD1-CG2 3.96Å; F234-I237 HydrophobicContact CB-CB 4.26Å; F234-I237 HydrophobicContact CB-CD1 4.21Å; F234-I237 HydrophobicContact CB-CG1 4.38Å; F234-I237 HydrophobicContact CD2-CD1 4.49Å; D235-I237 VanDerWaalsContact C-N 3.32Å; D235-I237 PolarHBondContact O-N 2.84Å; I237-A239 PolarHBondContact O-N 3.1Å; I237-I240 HydrophobicContact CG1-CD1 4.07Å; I237-I240 HydrophobicContact CG1-CG1 4.04Å; I237-I240 WeakPolarHBondContact O-CG1 3.07Å; I237-I240 PolarHBondContact O-N 3.19Å; I237-C241 HydrophobicContact CG1-CB 4.2Å; I237-C241 WeakPolarHBondContact O-CB 3.4Å; I237-C241 PolarHBondContact O-N 3.49Å; I237-M279 WeakPolarHBondContact CG2-O 3.48Å; I237-M279 PolarHBondContact N-O 3.41Å; I237-I286 HydrophobicContact CG2-CD1 3.75Å
238D87.4Confident79.7Confident24 Ų2444.3 Ų44.313%0.12827%0.265CS..Hα-helixtrans-65.7-18.117353.9-56.2000113.7E236 K242 T280 L285 I286E236-D238 PolarHBondContact O-N 3.35Å; E236-D238 VanDerWaalsContact O-N 3.08Å; D238-K242 WeakPolarHBondContact O-CG 3.46Å; D238-T280 WeakPolarHBondContact CB-OG1 3.32Å; D238-T280 WeakPolarHBondContact OD1-CB 3.24Å; D238-T280 PolarHBondContact OD1-OG1 2.64Å; D238-L285 HydrophobicContact CB-CB 4.31Å; D238-I286 HydrophobicContact CB-CG1 4.23Å
239A85.2Confident78.8Confident20 Ų2046.6 Ų46.617%0.16529%0.289CS..Hα-helixtrans-68.5-38.2172.500000112.1P195 E236 I237P195-A239 HydrophobicContact CG-CB 4.16Å; E236-A239 VanDerWaalsContact O-CB 3.26Å; E236-A239 WeakPolarHBondContact O-CB 3.44Å; E236-A239 PolarHBondContact O-N 2.86Å; I237-A239 PolarHBondContact O-N 3.1Å
240I85.4Confident77.7Confident0 Ų048.7 Ų48.70%031%0.305CS..Hα-helixtrans-93.2-33.2-179.153.8162.9000112.7G194 I197 L198 F234 I237 V257 V258 L261G194-I240 WeakPolarHBondContact O-CG2 3.31Å; I197-I240 HydrophobicContact CB-CG2 4.22Å; I197-I240 HydrophobicContact CD1-CD1 4.09Å; I197-I240 HydrophobicContact CD1-CG2 4.39Å; L198-I240 HydrophobicContact CD1-CG2 4.34Å; L198-I240 HydrophobicContact CD2-CG2 4.24Å; L198-I240 HydrophobicContact CG-CG2 4.04Å; F234-I240 HydrophobicContact CD1-CD1 4.25Å; I237-I240 HydrophobicContact CG1-CD1 4.07Å; I237-I240 HydrophobicContact CG1-CG1 4.04Å; I237-I240 WeakPolarHBondContact O-CG1 3.07Å; I237-I240 PolarHBondContact O-N 3.19Å; I240-V257 HydrophobicContact CB-CG1 4.34Å; I240-V258 VanDerWaalsContact O-CG2 3.32Å; I240-V258 WeakPolarHBondContact O-CG2 3.46Å; I240-L261 HydrophobicContact CD1-CD2 4.45Å
241C83Confident76.5Confident0 Ų053.7 Ų53.70%034%0.337CS..SBendtrans-109.347.9-168.6-64.20000114I237 V258 I286 D287 L290I237-C241 HydrophobicContact CG1-CB 4.2Å; I237-C241 WeakPolarHBondContact O-CB 3.4Å; I237-C241 PolarHBondContact O-N 3.49Å; C241-V258 HydrophobicContact CB-CG2 4.28Å; C241-I286 VanDerWaalsContact O-CA 3.32Å; C241-I286 WeakPolarHBondContact O-CA 3.33Å; C241-D287 PolarHBondContact O-N 2.9Å; C241-L290 HydrophobicContact CB-CD1 3.45Å; C241-L290 VanDerWaalsContact CB-CD1 3.45Å; C241-L290 WeakPolarHBondContact SG-CD1 3.25Å
242K81.9Confident75.7Confident95 Ų9554.9 Ų54.941%0.41335%0.35SS..BIsolated β-bridgetrans-68.4153.3177.2-64.8-175.7-178.7175.50112.1D238 R244 L285D238-K242 WeakPolarHBondContact O-CG 3.46Å; K242-R244 PolarHBondContact O-N 3.37Å; K242-L285 CarbonylContact C-O 3.54Å; K242-L285 VanDerWaalsContact CA-O 3.31Å; K242-L285 WeakPolarHBondContact CA-O 3.45Å
243Q78.1Confident75.1Confident104 Ų10455.6 Ų55.649%0.48635%0.354SS..PPolyproline II helixtrans-57.3126.4173-163.3175.515.300111S246 L285Q243-S246 WeakPolarHBondContact O-CB 3.31Å; Q243-S246 PolarHBondContact O-N 3.47Å; Q243-L285 PolarHBondContact N-O 3.44Å
244R72Confident74.4Confident94 Ų9457.7 Ų57.736%0.35536%0.364SS..THydrogen-bonded Turntrans-60.6138.7-178.4-57.6175.7-166.7-143.9-15110.6K242 S246 N259 D287K242-R244 PolarHBondContact O-N 3.37Å; R244-S246 VanDerWaalsContact C-N 3.29Å; R244-S246 PolarHBondContact O-N 2.82Å; R244-N259 PolarHBondContact NH1-OD1 2.95Å; R244-N259 PolarHBondContact NH2-OD1 3.29Å; R244-D287 IonicContact CZ-OD2 2.95Å; R244-D287 IonicContact NE-OD2 2.68Å; R244-D287 PolarHBondContact NE-OD2 2.88Å; R244-D287 IonicContact NH2-OD2 3.14Å; R244-D287 PolarHBondContact NH2-OD2 3.29Å
245G65.4Low74Confident71 Ų7160.5 Ų60.573%0.73238%0.379SS*.THydrogen-bonded Turntrans77.14.7175.900000115.9M247G245-M247 VanDerWaalsContact C-N 3.3Å; G245-M247 PolarHBondContact O-N 3.02Å
246S59.7Low73.6Confident80 Ų8061.3 Ų61.356%0.55939%0.385SS*.SBendtrans-75.9-10.5179.6-175.10000114.6Q243 R244Q243-S246 WeakPolarHBondContact O-CB 3.31Å; Q243-S246 PolarHBondContact O-N 3.47Å; R244-S246 VanDerWaalsContact C-N 3.29Å; R244-S246 PolarHBondContact O-N 2.82Å
247M55.5Low73.5Confident134 Ų13457.5 Ų57.566%0.6637%0.367SS*.  trans-134.9107.5-177.4-75.7-8312100110.7G245 G249G245-M247 VanDerWaalsContact C-N 3.3Å; G245-M247 PolarHBondContact O-N 3.02Å; M247-G249 PolarHBondContact O-N 2.87Å
248A49.4Very low73.4Confident124 Ų12457.4 Ų57.4100%1.02537%0.367SS*.THydrogen-bonded Turntrans-71.428.5174.400000114.1
249G53.3Low73.5Confident75 Ų7559.9 Ų59.977%0.77338%0.38SS*.THydrogen-bonded Turntrans-162-1.4-172.900000117.6M247M247-G249 PolarHBondContact O-N 2.87Å
250S58.5Low73.6Confident55 Ų5560.3 Ų60.339%0.38538%0.379SS..SBendtrans-88.1144.3169.256.30000110.1G252S250-G252 PolarHBondContact O-N 3.02Å
251T61.7Low73.8Confident124 Ų12460.3 Ų60.376%0.76138%0.379SS*.  trans-61.421.6-168.245.60000117.5V253T251-V253 PolarHBondContact O-N 3.47Å; T251-V253 WeakPolarHBondContact OG1-CG2 3.3Å
252G70.8Confident74Confident29 Ų2960.9 Ų60.930%0.29938%0.382SS..SBendtrans66.3-10.5-178.100000114.6S250 H254 D255 T256S250-G252 PolarHBondContact O-N 3.02Å; G252-H254 PolarHBondContact O-N 2.98Å; G252-D255 PolarHBondContact O-N 2.94Å; G252-T256 PolarHBondContact O-N 2.99Å
253V76.3Confident74.3Confident17 Ų1759.8 Ų59.810%0.10339%0.386CS..Hα-helixtrans-57.9-37.2-179.9178.30000111.3T251 D255 T256 V257T251-V253 PolarHBondContact O-N 3.47Å; T251-V253 WeakPolarHBondContact OG1-CG2 3.3Å; V253-D255 PolarHBondContact O-N 2.74Å; V253-T256 PolarHBondContact O-N 3.44Å; V253-T256 PolarHBondContact O-OG1 3.45Å; V253-V257 HydrophobicContact CG1-CG2 4.23Å; V253-V257 WeakPolarHBondContact O-CB 3.26Å; V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.5Å
254H77.7Confident74.6Confident45 Ų4556.5 Ų56.521%0.20837%0.37CS..Hα-helixtrans-61-44.2176.1-69.7-74.7000111.9G252 T256 V257 V258G252-H254 PolarHBondContact O-N 2.98Å; H254-T256 PolarHBondContact O-N 3.29Å; H254-V257 PolarHBondContact O-N 2.95Å; H254-V258 WeakPolarHBondContact O-CG2 3.42Å; H254-V258 PolarHBondContact O-N 3.23Å
255D82.4Confident75.3Confident58 Ų5852.2 Ų52.231%0.3135%0.354SS..Hα-helixtrans-67.2-38-178.2-66.5-25.6000111.6G252 V253 V258 N259G252-D255 PolarHBondContact O-N 2.94Å; V253-D255 PolarHBondContact O-N 2.74Å; D255-V258 PolarHBondContact O-N 3.11Å; D255-N259 PolarHBondContact O-N 2.84Å; D255-N259 PolarHBondContact O-ND2 3.09Å; D255-N259 VanDerWaalsContact O-ND2 3.11Å
256T84.1Confident76Confident56 Ų5652 Ų5234%0.34434%0.336SS..Hα-helixtrans-71.2-37.7179.171.70000112.2E206 G252 V253 H254 N259 Q260E206-T256 WeakPolarHBondContact OE1-CB 3.28Å; E206-T256 PolarHBondContact OE1-OG1 3.02Å; G252-T256 PolarHBondContact O-N 2.99Å; V253-T256 PolarHBondContact O-N 3.44Å; V253-T256 PolarHBondContact O-OG1 3.45Å; H254-T256 PolarHBondContact O-N 3.29Å; T256-N259 PolarHBondContact O-N 3.37Å; T256-Q260 WeakPolarHBondContact O-CB 3.5Å; T256-Q260 PolarHBondContact O-N 3.1Å
257V86.9Confident76.7Confident1 Ų149 Ų491%0.00632%0.318CS..Hα-helixtrans-60.8-44.2173.3168.80000111.3I209 I240 V253 H254 Q260 L261I209-V257 HydrophobicContact CD1-CB 4.5Å; I209-V257 HydrophobicContact CD1-CG1 3.5Å; I209-V257 VanDerWaalsContact CD1-CG1 3.5Å; I240-V257 HydrophobicContact CB-CG1 4.34Å; V253-V257 HydrophobicContact CG1-CG2 4.23Å; V253-V257 WeakPolarHBondContact O-CB 3.26Å; V253-V257 WeakPolarHBondContact O-CG2 3.22Å; V253-V257 PolarHBondContact O-N 3.5Å; H254-V257 PolarHBondContact O-N 2.95Å; V257-Q260 PolarHBondContact O-N 3.46Å; V257-L261 PolarHBondContact O-N 2.82Å
258V87.4Confident77.2Confident0 Ų050 Ų500%033%0.331CS..Hα-helixtrans-63.8-44.7176.2177.70000111.5I240 C241 H254 D255 Q260 L261 L262 D287 L290I240-V258 VanDerWaalsContact O-CG2 3.32Å; I240-V258 WeakPolarHBondContact O-CG2 3.46Å; C241-V258 HydrophobicContact CB-CG2 4.28Å; H254-V258 WeakPolarHBondContact O-CG2 3.42Å; H254-V258 PolarHBondContact O-N 3.23Å; D255-V258 PolarHBondContact O-N 3.11Å; V258-Q260 VanDerWaalsContact C-N 3.29Å; V258-Q260 PolarHBondContact O-N 3.31Å; V258-L261 PolarHBondContact O-N 3.26Å; V258-L262 HydrophobicContact CG1-CD1 4.17Å; V258-L262 HydrophobicContact CG1-CG 4.36Å; V258-L262 WeakPolarHBondContact O-CB 3.26Å; V258-L262 VanDerWaalsContact O-CG 3.31Å; V258-L262 WeakPolarHBondContact O-CG 3.18Å; V258-L262 PolarHBondContact O-N 2.93Å; V258-D287 HydrophobicContact CG1-CB 4.37Å; V258-D287 WeakPolarHBondContact CG1-OD2 3.46Å; V258-L290 HydrophobicContact CG1-CD1 4.23Å
259N87.8Confident78Confident75 Ų7549.4 Ų49.440%0.40131%0.307SS..Hα-helixtrans-60-40.8176-75.9-36.6000112.2R244 D255 T256 L262 S263R244-N259 PolarHBondContact NH1-OD1 2.95Å; R244-N259 PolarHBondContact NH2-OD1 3.29Å; D255-N259 PolarHBondContact O-N 2.84Å; D255-N259 PolarHBondContact O-ND2 3.09Å; D255-N259 VanDerWaalsContact O-ND2 3.11Å; T256-N259 PolarHBondContact O-N 3.37Å; N259-L262 PolarHBondContact O-N 3.13Å; N259-S263 WeakPolarHBondContact O-CB 3.3Å; N259-S263 PolarHBondContact O-N 3.34Å
260Q88.4Confident78.6Confident29 Ų2950.1 Ų50.114%0.13629%0.29CS..Hα-helixtrans-64.9-42.7177.7-176.259.876.200111.8E206 I209 R210 T256 V257 V258 S263 K264E206-Q260 HydrophobicContact CB-CG 4.24Å; E206-Q260 HydrophobicContact CG-CB 4.3Å; I209-Q260 HydrophobicContact CB-CG 4.35Å; I209-Q260 HydrophobicContact CG2-CG 4.1Å; R210-Q260 HydrophobicContact CG-CG 4.29Å; T256-Q260 WeakPolarHBondContact O-CB 3.5Å; T256-Q260 PolarHBondContact O-N 3.1Å; V257-Q260 PolarHBondContact O-N 3.46Å; V258-Q260 VanDerWaalsContact C-N 3.29Å; V258-Q260 PolarHBondContact O-N 3.31Å; Q260-S263 PolarHBondContact O-N 3.18Å; Q260-K264 WeakPolarHBondContact O-CG 3.36Å; Q260-K264 PolarHBondContact O-N 3.21Å
261L89.1Confident79.3Confident1 Ų147.7 Ų47.71%0.00527%0.273CS..Hα-helixtrans-63.6-44.8176-17466.2000111.4I209 F213 F234 I240 V257 V258 S263 K264 I265 L290I209-L261 HydrophobicContact CD1-CB 4.45Å; I209-L261 HydrophobicContact CG2-CD1 4.35Å; F213-L261 HydrophobicContact CE2-CD1 3.76Å; F213-L261 HydrophobicContact CZ-CD1 3.89Å; F234-L261 HydrophobicContact CE2-CD1 4.19Å; F234-L261 HydrophobicContact CZ-CD1 4.13Å; I240-L261 HydrophobicContact CD1-CD2 4.45Å; V257-L261 PolarHBondContact O-N 2.82Å; V258-L261 PolarHBondContact O-N 3.26Å; L261-S263 PolarHBondContact O-N 3.4Å; L261-K264 PolarHBondContact O-N 3.43Å; L261-K264 VanDerWaalsContact O-N 3.17Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CG-CD1 3.98Å; L261-I265 WeakPolarHBondContact O-CG1 3.37Å; L261-I265 PolarHBondContact O-N 3.49Å; L261-L290 HydrophobicContact CD2-CD2 4.06Å; L261-L290 HydrophobicContact CG-CD2 4.45Å
262L87.7Confident80Confident12 Ų1244.9 Ų44.96%0.06325%0.254CS..Hα-helixtrans-60.5-44.4176.2-74.3-179.4000112.6V258 N259 K264 I265 D266 A289 L290V258-L262 HydrophobicContact CG1-CD1 4.17Å; V258-L262 HydrophobicContact CG1-CG 4.36Å; V258-L262 WeakPolarHBondContact O-CB 3.26Å; V258-L262 VanDerWaalsContact O-CG 3.31Å; V258-L262 WeakPolarHBondContact O-CG 3.18Å; V258-L262 PolarHBondContact O-N 2.93Å; N259-L262 PolarHBondContact O-N 3.13Å; L262-K264 PolarHBondContact O-N 3.41Å; L262-I265 PolarHBondContact O-N 3.48Å; L262-D266 WeakPolarHBondContact O-CB 3.23Å; L262-D266 PolarHBondContact O-N 3.48Å; L262-A289 HydrophobicContact CD1-CB 3.88Å; L262-L290 HydrophobicContact CD2-CB 4.45Å; L262-L290 HydrophobicContact CD2-CD2 3.36Å; L262-L290 HydrophobicContact CD2-CG 3.65Å; L262-L290 HydrophobicContact CG-CD2 4.1Å; L262-L290 HydrophobicContact CG-CG 4.3Å
263S87.1Confident80.4Confident71 Ų7143.9 Ų43.950%0.49724%0.241SC..Hα-helixtrans-63.5-31176.9-179.90000112.1N259 Q260 L261 G267N259-S263 WeakPolarHBondContact O-CB 3.3Å; N259-S263 PolarHBondContact O-N 3.34Å; Q260-S263 PolarHBondContact O-N 3.18Å; L261-S263 PolarHBondContact O-N 3.4Å; S263-G267 WeakPolarHBondContact O-CA 3.5Å; S263-G267 PolarHBondContact O-N 3.22Å
264K86.3Confident80.9Confident36 Ų3643.1 Ų43.116%0.15724%0.236CC..Hα-helixtrans-78-33.2176.6-71.7-70180-175.50113.5F213 E217 Q260 L261 L262F213-K264 HydrophobicContact CB-CD 4.18Å; F213-K264 HydrophobicContact CD1-CB 4.38Å; F213-K264 HydrophobicContact CD2-CB 4Å; F213-K264 HydrophobicContact CD2-CG 4.23Å; F213-K264 HydrophobicContact CE2-CB 4.26Å; F213-K264 HydrophobicContact CG-CB 4.1Å; F213-K264 HydrophobicContact CG-CG 4.43Å; E217-K264 WeakPolarHBondContact OE1-CD 3.44Å; E217-K264 WeakPolarHBondContact OE1-CE 3.46Å; E217-K264 IonicContact OE1-NZ 3.43Å; E217-K264 PolarHBondContact OE1-NZ 3.16Å; E217-K264 IonicContact OE2-NZ 3.1Å; E217-K264 PolarHBondContact OE2-NZ 2.84Å; Q260-K264 WeakPolarHBondContact O-CG 3.36Å; Q260-K264 PolarHBondContact O-N 3.21Å; L261-K264 PolarHBondContact O-N 3.43Å; L261-K264 VanDerWaalsContact O-N 3.17Å; L262-K264 PolarHBondContact O-N 3.41Å
265I85.7Confident81.4Confident3 Ų341 Ų412%0.01523%0.227CC..Hα-helixtrans-79-42178.4-63.4168.8000111.6K161 L261 L262 V276 L290 R295K161-I265 HydrophobicContact CB-CG2 4.34Å; K161-I265 HydrophobicContact CD-CG2 4.12Å; K161-I265 WeakPolarHBondContact CD-O 3.29Å; K161-I265 PolarHBondContact NZ-O 3.47Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CG-CD1 3.98Å; L261-I265 WeakPolarHBondContact O-CG1 3.37Å; L261-I265 PolarHBondContact O-N 3.49Å; L262-I265 PolarHBondContact O-N 3.48Å; I265-V276 HydrophobicContact CG1-CG2 4.46Å; I265-L290 HydrophobicContact CD1-CD2 4.32Å; I265-R295 HydrophobicContact CG2-CB 4.13Å; I265-R295 HydrophobicContact CG2-CG 4.07Å
266D80.3Confident81.9Confident67 Ų6738.3 Ų38.336%0.35821%0.213SC..Hα-helixtrans-118.49.9-167.7-161.725.6000113.4L262 R295L262-D266 WeakPolarHBondContact O-CB 3.23Å; L262-D266 PolarHBondContact O-N 3.48Å; D266-R295 HydrophobicContact CB-CG 4.19Å; D266-R295 IonicContact OD2-CZ 2.66Å; D266-R295 IonicContact OD2-NE 2.71Å; D266-R295 PolarHBondContact OD2-NE 2.99Å; D266-R295 IonicContact OD2-NH2 3.68Å; D266-R295 PolarHBondContact OD2-NH2 2.69Å
267G74.4Confident82.2Confident16 Ų1635.7 Ų35.717%0.16520%0.196CC..SBendtrans-62.3176.2-177.100000114.6S263 E269S263-G267 WeakPolarHBondContact O-CA 3.5Å; S263-G267 PolarHBondContact O-N 3.22Å; G267-E269 PolarHBondContact O-N 3.42Å
268V65Low82.5Confident155 Ų15535.6 Ų35.694%0.93920%0.196SC*.SBendtrans-58.6-36.2-179.7-172.90000111.4Q270V268-Q270 PolarHBondContact O-N 3.16Å
269E67.1Low82.8Confident112 Ų11235.7 Ų35.752%0.52320%0.196SC..SBendtrans-85.792.9169.1-65.2-170.8162.300109.4K221 G267 L271K221-E269 WeakPolarHBondContact CE-OE1 3.47Å; K221-E269 WeakPolarHBondContact CE-OE2 3.43Å; K221-E269 IonicContact NZ-OE1 2.7Å; K221-E269 PolarHBondContact NZ-OE1 3.42Å; K221-E269 VanDerWaalsContact NZ-OE1 3.1Å; K221-E269 IonicContact NZ-OE2 2.66Å; K221-E269 PolarHBondContact NZ-OE2 3.45Å; G267-E269 PolarHBondContact O-N 3.42Å; E269-L271 PolarHBondContact O-N 2.85Å; E269-L271 VanDerWaalsContact O-N 3.1Å
270Q66.9Low82.9Confident90 Ų9032.2 Ų32.242%0.42118%0.178SC..  trans-69.3108.1178.2-72.7-177.3400110.9V268 N272V268-Q270 PolarHBondContact O-N 3.16Å; Q270-N272 PolarHBondContact O-N 3.11Å
271L72.7Confident82.9Confident5 Ų534 Ų343%0.02619%0.188CC..  trans-77.9112.9170.8-69.8150.8000109.9K161 E217 Q220 E269 I274K161-L271 WeakPolarHBondContact CE-O 3.3Å; E217-L271 HydrophobicContact CB-CD2 4.33Å; E217-L271 HydrophobicContact CG-CD1 3.72Å; E217-L271 HydrophobicContact CG-CD2 3.7Å; E217-L271 HydrophobicContact CG-CG 4.19Å; Q220-L271 HydrophobicContact CB-CD2 3.98Å; Q220-L271 HydrophobicContact CG-CD2 4.28Å; E269-L271 PolarHBondContact O-N 2.85Å; E269-L271 VanDerWaalsContact O-N 3.1Å; L271-I274 HydrophobicContact CB-CD1 3.77Å; L271-I274 HydrophobicContact CB-CG1 3.79Å; L271-I274 HydrophobicContact CB-CG2 4.1Å; L271-I274 HydrophobicContact CD1-CD1 4.19Å; L271-I274 HydrophobicContact CD2-CG2 4.46Å
272N75.8Confident82.7Confident65 Ų6539.8 Ų39.835%0.34821%0.21SC..SBendtrans-96-14.9176.4-69.4-19000112.6Q270Q270-N272 PolarHBondContact O-N 3.11Å
273N80.1Confident82.6Confident8 Ų841.6 Ų41.64%0.04322%0.223CC..SBendtrans-91.77.4-178.266.8-32.5000114.2A216 Q220 L229 H230A216-N273 PolarHBondContact O-ND2 3.29Å; Q220-N273 PolarHBondContact OE1-ND2 3.02Å; Q220-N273 PolarHBondContact OE1-OD1 3.01Å; L229-N273 WeakPolarHBondContact CA-O 3.42Å; L229-N273 VanDerWaalsContact CD1-O 3.28Å; L229-N273 WeakPolarHBondContact CD1-O 3.46Å; H230-N273 PolarHBondContact N-O 2.63Å
274I86.8Confident82.4Confident0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-104.1150.5179.662.9168.9000112R145 F213 A216 H230 L271R145-I274 PolarHBondContact NH2-O 3.31Å; F213-I274 HydrophobicContact CD1-CD1 4.34Å; F213-I274 HydrophobicContact CE1-CD1 4Å; A216-I274 HydrophobicContact CB-CG2 3.67Å; H230-I274 HydrophobicContact CB-CG2 4.49Å; H230-I274 CarbonylContact O-C 3.58Å; H230-I274 WeakPolarHBondContact O-CA 3.41Å; L271-I274 HydrophobicContact CB-CD1 3.77Å; L271-I274 HydrophobicContact CB-CG1 3.79Å; L271-I274 HydrophobicContact CB-CG2 4.1Å; L271-I274 HydrophobicContact CD1-CD1 4.19Å; L271-I274 HydrophobicContact CD2-CG2 4.46Å
275L88.1Confident82.3Confident1 Ų143.5 Ų43.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-135.8118.1165.9179.169000109.2F142 K161 I163 L184 L229 H230 I231 I232 I277F142-L275 HydrophobicContact CE1-CD2 3.58Å; F142-L275 HydrophobicContact CZ-CD2 4.01Å; K161-L275 WeakPolarHBondContact O-CA 3.37Å; I163-L275 HydrophobicContact CD1-CD1 4.05Å; I163-L275 HydrophobicContact CD1-CD2 4.44Å; I163-L275 HydrophobicContact CG1-CD1 4.21Å; L184-L275 HydrophobicContact CD1-CD2 4.21Å; L229-L275 HydrophobicContact CD1-CB 3.8Å; H230-L275 PolarHBondContact O-N 3.36Å; I231-L275 WeakPolarHBondContact CA-O 3.26Å; I232-L275 PolarHBondContact N-O 3.28Å; L275-I277 HydrophobicContact CD2-CD1 4.37Å; L275-I277 HydrophobicContact CD2-CG1 4.44Å; L275-I277 HydrophobicContact CG-CG1 4.3Å
276V91.3Very high82.4Confident2 Ų243.6 Ų43.61%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-100.6122.1177.6-178.60000109.4K161 G162 I163 F213 I232 F234 I265K161-V276 PolarHBondContact O-N 3.06Å; G162-V276 CarbonylContact C-O 3.55Å; G162-V276 WeakPolarHBondContact CA-O 3.24Å; I163-V276 PolarHBondContact N-O 2.97Å; F213-V276 HydrophobicContact CE1-CG2 4.13Å; F213-V276 HydrophobicContact CZ-CG2 4.17Å; I232-V276 CarbonylContact O-C 3.53Å; I232-V276 WeakPolarHBondContact O-CA 3.34Å; F234-V276 HydrophobicContact CD2-CG1 3.58Å; F234-V276 HydrophobicContact CE2-CG1 3.63Å; I265-V276 HydrophobicContact CG1-CG2 4.46Å
277I91.9Very high82.8Confident0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-110.1110174.4-55.1177.4000107.8I163 L165 A177 I180 I231 I232 I233 F234 L275I163-I277 CarbonylContact O-C 3.58Å; I163-I277 WeakPolarHBondContact O-CA 3.48Å; L165-I277 HydrophobicContact CD1-CG2 4.13Å; L165-I277 HydrophobicContact CG-CG2 4.33Å; A177-I277 HydrophobicContact CB-CG2 3.97Å; I180-I277 HydrophobicContact CB-CD1 4.4Å; I180-I277 HydrophobicContact CG2-CD1 3.8Å; I231-I277 HydrophobicContact CG2-CD1 4.14Å; I232-I277 PolarHBondContact O-N 3.38Å; I233-I277 CarbonylContact C-O 3.52Å; I233-I277 WeakPolarHBondContact CA-O 3.43Å; I233-I277 HydrophobicContact CG1-CB 4.35Å; I233-I277 HydrophobicContact CG1-CD1 4.49Å; F234-I277 PolarHBondContact N-O 3.1Å; L275-I277 HydrophobicContact CD2-CD1 4.37Å; L275-I277 HydrophobicContact CD2-CG1 4.44Å; L275-I277 HydrophobicContact CG-CG1 4.3Å
278G93.1Very high83.4Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-95.8140.3173.500000111I163 L164 L165 F234I163-G278 PolarHBondContact O-N 2.98Å; L164-G278 CarbonylContact C-O 3.47Å; L164-G278 WeakPolarHBondContact CA-O 3.42Å; L165-G278 PolarHBondContact N-O 3.28Å; F234-G278 CarbonylContact O-C 3.59Å
279M92.9Very high84.4Confident1 Ų139.9 Ų39.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-123.4134.5175-59.4176.5-66.300110.3L165 K173 T174 A177 I233 F234 D235 E236 I237L165-M279 HydrophobicContact CB-CG 4.26Å; L165-M279 HydrophobicContact CD1-CG 4.36Å; L165-M279 VanDerWaalsContact O-CA 3.3Å; L165-M279 WeakPolarHBondContact O-CA 3.41Å; K173-M279 HydrophobicContact CB-SD 4.48Å; K173-M279 VanDerWaalsContact O-SD 3.42Å; T174-M279 WeakPolarHBondContact CA-SD 3.2Å; T174-M279 HydrophobicContact CG2-CE 4.33Å; A177-M279 HydrophobicContact CB-CE 4.17Å; A177-M279 HydrophobicContact CB-CG 4.36Å; A177-M279 HydrophobicContact CB-SD 3.37Å; A177-M279 WeakPolarHBondContact CB-SD 3.45Å; I233-M279 HydrophobicContact CG2-CE 3.54Å; I233-M279 HydrophobicContact CG2-SD 4.48Å; F234-M279 PolarHBondContact O-N 2.96Å; D235-M279 HydrophobicContact CB-CE 3.63Å; D235-M279 VanDerWaalsContact CG-CE 3.49Å; E236-M279 WeakPolarHBondContact CA-O 3.44Å; E236-M279 PolarHBondContact N-O 3.19Å; E236-M279 VanDerWaalsContact N-O 3.16Å; I237-M279 WeakPolarHBondContact CG2-O 3.48Å; I237-M279 PolarHBondContact N-O 3.41Å
280T90.6Very high85.4Confident3 Ų334.6 Ų34.62%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-146.1154.6176.5-172.20000112.4L164 L165 Y166 G167 K173 D238 R282 I286L164-T280 HydrophobicContact CD1-CG2 4.24Å; L165-T280 PolarHBondContact O-N 3.28Å; Y166-T280 VanDerWaalsContact CA-O 3.26Å; Y166-T280 WeakPolarHBondContact CA-O 3.44Å; G167-T280 PolarHBondContact N-O 3.31Å; K173-T280 WeakPolarHBondContact CE-O 3.19Å; D238-T280 WeakPolarHBondContact CB-OG1 3.32Å; D238-T280 WeakPolarHBondContact OD1-CB 3.24Å; D238-T280 PolarHBondContact OD1-OG1 2.64Å; T280-R282 PolarHBondContact OG1-N 3.3Å; T280-R282 PolarHBondContact OG1-O 3.5Å; T280-I286 HydrophobicContact CG2-CD1 3.52Å
281N88.2Confident86.4Confident66 Ų6631.7 Ų31.735%0.35316%0.16SC..SBendtrans-91.7-18.5166-61.7-47.1000112.1G167 K173G167-N281 WeakPolarHBondContact O-CA 3.4Å; G167-N281 PolarHBondContact O-OD1 2.92Å; K173-N281 VanDerWaalsContact CE-OD1 3.22Å; K173-N281 WeakPolarHBondContact CE-OD1 3.48Å; K173-N281 PolarHBondContact NZ-OD1 3.26Å
282R83.9Confident87.2Confident123 Ų12338.9 Ų38.946%0.46419%0.187SC..  trans-129.179.5-167.8-68.1-165.366179.3-3.3110.9T280 D284 L285T280-R282 PolarHBondContact OG1-N 3.3Å; T280-R282 PolarHBondContact OG1-O 3.5Å; R282-D284 VanDerWaalsContact C-OD1 3.29Å; R282-D284 WeakPolarHBondContact CA-OD1 3.06Å; R282-D284 WeakPolarHBondContact CB-OD1 3.07Å; R282-D284 IonicContact CZ-OD2 3.9Å; R282-D284 IonicContact NE-OD1 3.11Å; R282-D284 IonicContact NE-OD2 3.96Å; R282-D284 IonicContact NH2-OD2 2.68Å; R282-D284 PolarHBondContact NH2-OD2 3.48Å; R282-D284 PolarHBondContact O-N 2.94Å; R282-L285 HydrophobicContact CB-CB 4.43Å; R282-L285 HydrophobicContact CB-CD1 4.03Å; R282-L285 HydrophobicContact CB-CG 4.09Å; R282-L285 VanDerWaalsContact CZ-CD1 3.44Å; R282-L285 PolarHBondContact O-N 3.43Å
283P85.6Confident87.6Confident50 Ų5041.1 Ų41.133%0.32521%0.205SC..G310 helixtrans-63.8-22.5179.229.2-36.5000112.6Y166 L285 I286Y166-P283 HydrophobicContact CD2-CB 3.98Å; Y166-P283 HydrophobicContact CD2-CG 3.71Å; Y166-P283 HydrophobicContact CE2-CG 4.29Å; Y166-P283 HydrophobicContact CG-CB 4.02Å; Y166-P283 HydrophobicContact CG-CG 4.21Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 2.88Å; P283-I286 PolarHBondContact O-N 3.24Å
284D83.6Confident87.7Confident98 Ų9842.2 Ų42.252%0.52422%0.219SC..G310 helixtrans-63.4-29.317759-57.2000113.4R282R282-D284 VanDerWaalsContact C-OD1 3.29Å; R282-D284 WeakPolarHBondContact CA-OD1 3.06Å; R282-D284 WeakPolarHBondContact CB-OD1 3.07Å; R282-D284 IonicContact CZ-OD2 3.9Å; R282-D284 IonicContact NE-OD1 3.11Å; R282-D284 IonicContact NE-OD2 3.96Å; R282-D284 IonicContact NH2-OD2 2.68Å; R282-D284 PolarHBondContact NH2-OD2 3.48Å; R282-D284 PolarHBondContact O-N 2.94Å
285L84.9Confident87.8Confident48 Ų4844.2 Ų44.225%0.25123%0.226SC..G310 helixtrans-84-14.4-177.9-67.7-174.7000113.5D238 K242 Q243 R282 P283D238-L285 HydrophobicContact CB-CB 4.31Å; K242-L285 CarbonylContact C-O 3.54Å; K242-L285 VanDerWaalsContact CA-O 3.31Å; K242-L285 WeakPolarHBondContact CA-O 3.45Å; Q243-L285 PolarHBondContact N-O 3.44Å; R282-L285 HydrophobicContact CB-CB 4.43Å; R282-L285 HydrophobicContact CB-CD1 4.03Å; R282-L285 HydrophobicContact CB-CG 4.09Å; R282-L285 VanDerWaalsContact CZ-CD1 3.44Å; R282-L285 PolarHBondContact O-N 3.43Å; P283-L285 VanDerWaalsContact C-N 3.27Å; P283-L285 PolarHBondContact O-N 2.88Å
286I87.6Confident87.8Confident5 Ų544.2 Ų44.23%0.02623%0.226CC..BIsolated β-bridgetrans-76.8138.6-173.2-64.7-177.9000110.9L164 I237 D238 C241 T280 P283 E288 L291L164-I286 HydrophobicContact CD1-CD1 3.89Å; L164-I286 HydrophobicContact CD2-CD1 3.99Å; I237-I286 HydrophobicContact CG2-CD1 3.75Å; D238-I286 HydrophobicContact CB-CG1 4.23Å; C241-I286 VanDerWaalsContact O-CA 3.32Å; C241-I286 WeakPolarHBondContact O-CA 3.33Å; T280-I286 HydrophobicContact CG2-CD1 3.52Å; P283-I286 PolarHBondContact O-N 3.24Å; I286-E288 PolarHBondContact O-N 3.32Å; I286-L291 HydrophobicContact CG2-CD1 4.4Å; I286-L291 HydrophobicContact CG2-CD2 4.15Å; I286-L291 HydrophobicContact CG2-CG 4.07Å
287D88.1Confident87.5Confident14 Ų1448 Ų488%0.07524%0.244CC..  trans-57.7121.8171.9-174-10.6000112C241 R244 V258 A289 L290C241-D287 PolarHBondContact O-N 2.9Å; R244-D287 IonicContact CZ-OD2 2.95Å; R244-D287 IonicContact NE-OD2 2.68Å; R244-D287 PolarHBondContact NE-OD2 2.88Å; R244-D287 IonicContact NH2-OD2 3.14Å; R244-D287 PolarHBondContact NH2-OD2 3.29Å; V258-D287 HydrophobicContact CG1-CB 4.37Å; V258-D287 WeakPolarHBondContact CG1-OD2 3.46Å; D287-A289 PolarHBondContact O-N 3.45Å; D287-A289 VanDerWaalsContact OD1-CB 3.27Å; D287-A289 WeakPolarHBondContact OD1-CB 3.49Å; D287-A289 PolarHBondContact OD1-N 3.49Å; D287-L290 HydrophobicContact CB-CD1 4.49Å; D287-L290 PolarHBondContact O-N 3.07Å
288E86.6Confident87.4Confident133 Ų13348 Ų4862%0.62124%0.244SC*.THydrogen-bonded Turntrans-55.4-25.6176.3-65.9-169.3166.200113.4I286 L290 L291I286-E288 PolarHBondContact O-N 3.32Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 3.08Å; E288-L291 WeakPolarHBondContact O-CB 2.79Å; E288-L291 PolarHBondContact O-N 3.07Å
289A87.6Confident87.2Confident13 Ų1352.2 Ų52.211%0.10726%0.262CS..THydrogen-bonded Turntrans-62.6-34176.500000112.6L262 D287 R295L262-A289 HydrophobicContact CD1-CB 3.88Å; D287-A289 PolarHBondContact O-N 3.45Å; D287-A289 VanDerWaalsContact OD1-CB 3.27Å; D287-A289 WeakPolarHBondContact OD1-CB 3.49Å; D287-A289 PolarHBondContact OD1-N 3.49Å; A289-R295 WeakPolarHBondContact O-CD 3.49Å; A289-R295 PolarHBondContact O-NH1 2.85Å
290L87.1Confident87Confident1 Ų152.7 Ų52.71%0.00526%0.264CS..THydrogen-bonded Turntrans-74.7-30.5175.8-77.9159.9000112C241 V258 L261 L262 I265 D287 E288 R292 R295 L296C241-L290 HydrophobicContact CB-CD1 3.45Å; C241-L290 VanDerWaalsContact CB-CD1 3.45Å; C241-L290 WeakPolarHBondContact SG-CD1 3.25Å; V258-L290 HydrophobicContact CG1-CD1 4.23Å; L261-L290 HydrophobicContact CD2-CD2 4.06Å; L261-L290 HydrophobicContact CG-CD2 4.45Å; L262-L290 HydrophobicContact CD2-CB 4.45Å; L262-L290 HydrophobicContact CD2-CD2 3.36Å; L262-L290 HydrophobicContact CD2-CG 3.65Å; L262-L290 HydrophobicContact CG-CD2 4.1Å; L262-L290 HydrophobicContact CG-CG 4.3Å; I265-L290 HydrophobicContact CD1-CD2 4.32Å; D287-L290 HydrophobicContact CB-CD1 4.49Å; D287-L290 PolarHBondContact O-N 3.07Å; E288-L290 VanDerWaalsContact C-N 3.29Å; E288-L290 PolarHBondContact O-N 3.08Å; L290-R292 PolarHBondContact O-N 3.27Å; L290-R295 WeakPolarHBondContact O-CB 3.43Å; L290-L296 HydrophobicContact CB-CD1 4.05Å; L290-L296 VanDerWaalsContact O-CB 3.31Å; L290-L296 WeakPolarHBondContact O-CB 3.49Å; L290-L296 PolarHBondContact O-N 2.87Å
291L88.4Confident86.9Confident30 Ų3056 Ų5616%0.15728%0.28CS..THydrogen-bonded Turntrans-76.50.6-177.6-65-178.6000114L164 I286 E288 K299L164-L291 HydrophobicContact CD2-CD2 3.3Å; I286-L291 HydrophobicContact CG2-CD1 4.4Å; I286-L291 HydrophobicContact CG2-CD2 4.15Å; I286-L291 HydrophobicContact CG2-CG 4.07Å; E288-L291 WeakPolarHBondContact O-CB 2.79Å; E288-L291 PolarHBondContact O-N 3.07Å; L291-K299 HydrophobicContact CD2-CD 4.21Å; L291-K299 WeakPolarHBondContact O-CE 3.07Å; L291-K299 PolarHBondContact O-NZ 2.92Å
292R89.1Confident86.8Confident156 Ų15652.9 Ų52.959%0.58926%0.263SS*.SBendtrans-77.4144.3179-66.6-176.2-174.1175.41.4111.4L290 R295L290-R292 PolarHBondContact O-N 3.27Å; R292-R295 PolarHBondContact O-N 3.4Å; R292-R295 VanDerWaalsContact O-N 3.16Å
293P84.9Confident86.7Confident111 Ų11148.4 Ų48.472%0.72126%0.255SS*.THydrogen-bonded Turntrans-52.7140.7172.8-25.334.5000111.9E297P293-E297 HydrophobicContact CB-CG 4.5Å
294G81Confident86.6Confident32 Ų3248.2 Ų48.233%0.3325%0.251SS..THydrogen-bonded Turntrans93.7-13.8-171.300000115
295R88.6Confident86.6Confident42 Ų4244.1 Ų44.116%0.15823%0.23CC..SBendtrans-113.5-102.4172.9-62.6166-176.4-175.4-2.8109.8G162 I265 D266 A289 L290 R292 E297G162-R295 VanDerWaalsContact CA-O 3.28Å; G162-R295 WeakPolarHBondContact CA-O 3.03Å; G162-R295 PolarHBondContact N-O 3.21Å; G162-R295 VanDerWaalsContact N-O 3.12Å; I265-R295 HydrophobicContact CG2-CB 4.13Å; I265-R295 HydrophobicContact CG2-CG 4.07Å; D266-R295 HydrophobicContact CB-CG 4.19Å; D266-R295 IonicContact OD2-CZ 2.66Å; D266-R295 IonicContact OD2-NE 2.71Å; D266-R295 PolarHBondContact OD2-NE 2.99Å; D266-R295 IonicContact OD2-NH2 3.68Å; D266-R295 PolarHBondContact OD2-NH2 2.69Å; A289-R295 WeakPolarHBondContact O-CD 3.49Å; A289-R295 PolarHBondContact O-NH1 2.85Å; L290-R295 WeakPolarHBondContact O-CB 3.43Å; R292-R295 PolarHBondContact O-N 3.4Å; R292-R295 VanDerWaalsContact O-N 3.16Å; R295-E297 VanDerWaalsContact C-N 3.35Å; R295-E297 PolarHBondContact O-N 2.9Å
296L88.1Confident86.6Confident1 Ų145.7 Ų45.71%0.00524%0.239CC..SBendtrans-87.777.9168.4-59175.7000109.1L164 L290L164-L296 HydrophobicContact CB-CB 4.33Å; L164-L296 HydrophobicContact CB-CD1 4.3Å; L164-L296 HydrophobicContact CD1-CD1 4.32Å; L290-L296 HydrophobicContact CB-CD1 4.05Å; L290-L296 VanDerWaalsContact O-CB 3.31Å; L290-L296 WeakPolarHBondContact O-CB 3.49Å; L290-L296 PolarHBondContact O-N 2.87Å
297E86.5Confident86.5Confident81 Ų8150 Ų5038%0.37926%0.259SS..  trans-75.4-44.8-173.8-177.6177.8171.800112.5V160 G162 P293 R295 K299V160-E297 HydrophobicContact CG1-CB 4.32Å; G162-E297 PolarHBondContact O-N 3.47Å; P293-E297 HydrophobicContact CB-CG 4.5Å; R295-E297 VanDerWaalsContact C-N 3.35Å; R295-E297 PolarHBondContact O-N 2.9Å; E297-K299 PolarHBondContact O-N 3.18Å
298V88.9Confident86.4Confident1 Ų155.2 Ų55.21%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-90.3109.2-178.7-179.90000108.5R140 A141 V160 G162 I163 L164R140-V298 HydrophobicContact CB-CG2 4.03Å; A141-V298 HydrophobicContact CB-CG2 4.47Å; V160-V298 HydrophobicContact CG1-CG2 4.04Å; G162-V298 PolarHBondContact O-N 3.37Å; I163-V298 CarbonylContact C-O 3.57Å; I163-V298 WeakPolarHBondContact CA-O 3.38Å; I163-V298 HydrophobicContact CG1-CB 4.3Å; I163-V298 HydrophobicContact CG2-CB 4.44Å; I163-V298 HydrophobicContact CG2-CG1 4.34Å; L164-V298 PolarHBondContact N-O 3.39Å
299K89.7Confident86.5Confident87 Ų8749 Ų4938%0.37826%0.258SS..EExtended strand (participates in β ladder)trans-104.4122.2174-55.1173.8-165.7169.20107.9L164 Y166 L291 E297L164-K299 WeakPolarHBondContact O-CA 3.38Å; Y166-K299 HydrophobicContact CE1-CB 3.96Å; L291-K299 HydrophobicContact CD2-CD 4.21Å; L291-K299 WeakPolarHBondContact O-CE 3.07Å; L291-K299 PolarHBondContact O-NZ 2.92Å; E297-K299 PolarHBondContact O-N 3.18Å
300M88.9Confident86.6Confident12 Ų1249.4 Ų49.46%0.05926%0.257CS..EExtended strand (participates in β ladder)trans-123.2123.7-179.8-173.1152.5-66.500110.9E133 D136 I137 L164 L165 Y166 I302E133-M300 VanDerWaalsContact C-SD 3.6Å; E133-M300 HydrophobicContact CB-CG 4.5Å; E133-M300 HydrophobicContact CB-SD 3.56Å; E133-M300 VanDerWaalsContact CB-SD 3.56Å; E133-M300 HydrophobicContact CG-SD 4.3Å; E133-M300 WeakPolarHBondContact O-CE 3.16Å; D136-M300 HydrophobicContact CB-CE 4.06Å; I137-M300 HydrophobicContact CB-CE 4.35Å; I137-M300 HydrophobicContact CD1-CE 4.09Å; I137-M300 HydrophobicContact CD1-SD 3.37Å; I137-M300 WeakPolarHBondContact CD1-SD 3.46Å; I137-M300 HydrophobicContact CG1-CE 3.24Å; I137-M300 HydrophobicContact CG1-SD 3.25Å; I137-M300 WeakPolarHBondContact CG1-SD 3.04Å; L164-M300 PolarHBondContact O-N 3.16Å; L165-M300 HydrophobicContact CD2-CB 3.96Å; Y166-M300 VanDerWaalsContact CD1-O 3.24Å; Y166-M300 WeakPolarHBondContact CD1-O 3.46Å; Y166-M300 VanDerWaalsContact CE1-C 3.48Å; Y166-M300 WeakPolarHBondContact CE1-O 3.44Å; Y166-M300 PolarHBondContact N-O 2.97Å; M300-I302 HydrophobicContact CG-CG1 4.48Å
301E86.8Confident86.8Confident72 Ų7250.8 Ų50.834%0.33626%0.264SS..EExtended strand (participates in β ladder)trans-82.3118.2168.4-168.5179179.900108.6Y166 R545Y166-E301 HydrophobicContact CD2-CB 4.33Å; Y166-E301 HydrophobicContact CD2-CG 4.23Å; Y166-E301 HydrophobicContact CE1-CB 4.39Å; Y166-E301 HydrophobicContact CE2-CB 3.65Å; Y166-E301 HydrophobicContact CE2-CG 3.74Å; Y166-E301 CarbonylContact O-C 3.48Å; Y166-E301 VanDerWaalsContact O-CA 3.29Å; Y166-E301 WeakPolarHBondContact O-CA 3.37Å; E301-R545 IonicContact OE1-NH2 3.7Å; E301-R545 IonicContact OE2-NH2 3.43Å
302I87.3Confident86.8Confident0 Ų052.5 Ų52.50%027%0.271CS..  trans-96.6102.6170.5-63.1178.7000106.9L130 L165 Y166 G167 P168 C171 K173 M176 M300L130-I302 HydrophobicContact CD1-CG2 3.99Å; L130-I302 HydrophobicContact CD2-CG2 3.98Å; L165-I302 HydrophobicContact CB-CD1 4.09Å; L165-I302 HydrophobicContact CD1-CD1 4.15Å; L165-I302 HydrophobicContact CD2-CD1 4.16Å; L165-I302 HydrophobicContact CG-CD1 4.35Å; Y166-I302 PolarHBondContact O-N 3.3Å; G167-I302 WeakPolarHBondContact CA-O 3.46Å; P168-I302 WeakPolarHBondContact CD-O 3.48Å; C171-I302 HydrophobicContact CB-CG2 3.92Å; C171-I302 WeakPolarHBondContact O-CG2 3.4Å; K173-I302 HydrophobicContact CB-CD1 4.37Å; K173-I302 HydrophobicContact CG-CB 4.2Å; K173-I302 HydrophobicContact CG-CD1 3.95Å; K173-I302 HydrophobicContact CG-CG2 4.41Å; M176-I302 HydrophobicContact CB-CD1 4.46Å; M176-I302 HydrophobicContact CG-CD1 4.43Å; M176-I302 HydrophobicContact SD-CD1 4.24Å; M300-I302 HydrophobicContact CG-CG1 4.48Å
303G82.5Confident86.9Confident29 Ų2945.9 Ų45.930%0.29925%0.247SC..  trans-80.5-176.6179.400000113.8
304L82.4Confident87.1Confident46 Ų4640.6 Ų40.624%0.24121%0.213CC..PPolyproline II helixtrans-67.1146.6168.1-69.3166.6000109.9N342L304-N342 HydrophobicContact CD1-CB 4.35Å
305P84.7Confident87.6Confident12 Ų1241.7 Ų41.78%0.07821%0.211CC..PPolyproline II helixtrans-69135.7-179.327.7-34.3000112.3R310 I313 Y343 L348P305-R310 HydrophobicContact CB-CG 4.07Å; P305-R310 HydrophobicContact CG-CG 3.86Å; P305-R310 PolarHBondContact O-NH1 2.66Å; P305-I313 HydrophobicContact CB-CD1 3.77Å; P305-I313 HydrophobicContact CG-CD1 3.95Å; P305-Y343 WeakPolarHBondContact CD-O 3.18Å; P305-Y343 VanDerWaalsContact CG-O 3.3Å; P305-Y343 WeakPolarHBondContact CG-O 3.38Å; P305-L348 HydrophobicContact CG-CD1 4.48Å
306D83.9Confident87.6Confident82 Ų8241.9 Ų41.944%0.43922%0.215SC..PPolyproline II helixtrans-61.6165.8167.7-72.8-26.3000111N308 G309 R310 Q503D306-N308 VanDerWaalsContact C-N 3.33Å; D306-N308 PolarHBondContact O-N 2.66Å; D306-G309 CarbonylContact O-C 3.55Å; D306-G309 VanDerWaalsContact O-CA 3.29Å; D306-G309 WeakPolarHBondContact O-CA 3.3Å; D306-G309 PolarHBondContact O-N 2.63Å; D306-R310 WeakPolarHBondContact O-CG 3.45Å; D306-R310 PolarHBondContact O-N 2.85Å; D306-Q503 PolarHBondContact OD1-NE2 3.46Å
307E84.8Confident87.6Confident96 Ų9644.7 Ų44.745%0.44923%0.228SC..Hα-helixtrans-53.6-46.9178.9-172.7-178.4162.200113G309 R310 I311 V338E307-G309 VanDerWaalsContact C-N 3.27Å; E307-G309 PolarHBondContact O-N 2.97Å; E307-R310 PolarHBondContact O-N 3.37Å; E307-I311 WeakPolarHBondContact O-CG1 3.23Å; E307-I311 PolarHBondContact O-N 3.43Å; E307-V338 WeakPolarHBondContact OE1-CG2 3.49Å
308N87.4Confident87.7Confident122 Ų12241 Ų4165%0.65221%0.211SC*.Hα-helixtrans-61.4-37173.8-68.3-35000112.1D306 I311 Q312D306-N308 VanDerWaalsContact C-N 3.33Å; D306-N308 PolarHBondContact O-N 2.66Å; N308-I311 PolarHBondContact O-N 2.71Å; N308-Q312 WeakPolarHBondContact O-CG 3.49Å; N308-Q312 PolarHBondContact O-N 3.27Å
309G87.8Confident87.7Confident3 Ų342.8 Ų42.83%0.03123%0.225CC..Hα-helixtrans-65.9-40.5175.200000112.4D306 E307 I311 Q312 I313D306-G309 CarbonylContact O-C 3.55Å; D306-G309 VanDerWaalsContact O-CA 3.29Å; D306-G309 WeakPolarHBondContact O-CA 3.3Å; D306-G309 PolarHBondContact O-N 2.63Å; E307-G309 VanDerWaalsContact C-N 3.27Å; E307-G309 PolarHBondContact O-N 2.97Å; G309-I311 VanDerWaalsContact C-N 3.35Å; G309-I311 PolarHBondContact O-N 2.97Å; G309-Q312 WeakPolarHBondContact O-CB 3.41Å; G309-Q312 PolarHBondContact O-N 3.49Å; G309-I313 VanDerWaalsContact O-CG1 3.26Å; G309-I313 WeakPolarHBondContact O-CG1 3.29Å; G309-I313 PolarHBondContact O-N 3.25Å
310R89.4Confident87.5Confident22 Ų2246 Ų468%0.08324%0.24CC..Hα-helixtrans-62.6-41.8174.2-63-163.6-66.7-80.72.7111.5P305 D306 E307 Q312 I313 L314 A337 T340 L348P305-R310 HydrophobicContact CB-CG 4.07Å; P305-R310 HydrophobicContact CG-CG 3.86Å; P305-R310 PolarHBondContact O-NH1 2.66Å; D306-R310 WeakPolarHBondContact O-CG 3.45Å; D306-R310 PolarHBondContact O-N 2.85Å; E307-R310 PolarHBondContact O-N 3.37Å; R310-Q312 VanDerWaalsContact C-N 3.33Å; R310-Q312 PolarHBondContact O-N 3.47Å; R310-I313 PolarHBondContact O-N 3.16Å; R310-L314 WeakPolarHBondContact O-CB 3.46Å; R310-L314 WeakPolarHBondContact O-CG 3.48Å; R310-L314 PolarHBondContact O-N 3.11Å; R310-A337 HydrophobicContact CB-CB 4.21Å; R310-A337 PolarHBondContact NE-O 3.06Å; R310-A337 PolarHBondContact NH2-O 3.02Å; R310-T340 WeakPolarHBondContact CD-O 3.29Å; R310-T340 PolarHBondContact NE-O 3.45Å; R310-T340 VanDerWaalsContact NE-O 3.13Å; R310-L348 HydrophobicContact CB-CD1 3.94Å; R310-L348 HydrophobicContact CG-CD1 3.84Å
311I91.1Very high87.4Confident30 Ų3046.1 Ų46.115%0.15424%0.24CC..Hα-helixtrans-58.3-46.4173.6-66.4167.5000110.5E307 N308 G309 N315 I333 K334 A337E307-I311 WeakPolarHBondContact O-CG1 3.23Å; E307-I311 PolarHBondContact O-N 3.43Å; N308-I311 PolarHBondContact O-N 2.71Å; G309-I311 VanDerWaalsContact C-N 3.35Å; G309-I311 PolarHBondContact O-N 2.97Å; I311-N315 WeakPolarHBondContact CG2-ND2 3.4Å; I311-N315 VanDerWaalsContact O-CB 3.29Å; I311-N315 WeakPolarHBondContact O-CB 3.37Å; I311-N315 VanDerWaalsContact O-CG 3.31Å; I311-N315 PolarHBondContact O-N 3.37Å; I311-N315 PolarHBondContact O-ND2 2.8Å; I311-I333 HydrophobicContact CG2-CG2 4.22Å; I311-K334 HydrophobicContact CD1-CG 4.22Å; I311-A337 HydrophobicContact CD1-CB 4.28Å; I311-A337 HydrophobicContact CG1-CB 3.41Å; I311-A337 VanDerWaalsContact CG1-CB 3.41Å
312Q89.4Confident87.4Confident66 Ų6647.6 Ų47.631%0.30824%0.243SC..Hα-helixtrans-62.2-46.3177.7-72.4175-17.200111.8G129 D131 N308 G309 R310 N315 I316G129-Q312 VanDerWaalsContact CA-OE1 3.32Å; D131-Q312 PolarHBondContact OD2-NE2 3.45Å; N308-Q312 WeakPolarHBondContact O-CG 3.49Å; N308-Q312 PolarHBondContact O-N 3.27Å; G309-Q312 WeakPolarHBondContact O-CB 3.41Å; G309-Q312 PolarHBondContact O-N 3.49Å; R310-Q312 VanDerWaalsContact C-N 3.33Å; R310-Q312 PolarHBondContact O-N 3.47Å; Q312-N315 WeakPolarHBondContact O-CB 3.44Å; Q312-N315 PolarHBondContact O-N 3.4Å; Q312-I316 WeakPolarHBondContact O-CD1 3.47Å; Q312-I316 VanDerWaalsContact O-CG1 3.26Å; Q312-I316 WeakPolarHBondContact O-CG1 3.42Å; Q312-I316 PolarHBondContact O-N 3.43Å
313I89.9Confident87.4Confident16 Ų1654.5 Ų54.58%0.08228%0.275CS..Hα-helixtrans-60.9-49.5178.4-67.3164.6000110.7P305 G309 R310 N315 I316 H317 L348P305-I313 HydrophobicContact CB-CD1 3.77Å; P305-I313 HydrophobicContact CG-CD1 3.95Å; G309-I313 VanDerWaalsContact O-CG1 3.26Å; G309-I313 WeakPolarHBondContact O-CG1 3.29Å; G309-I313 PolarHBondContact O-N 3.25Å; R310-I313 PolarHBondContact O-N 3.16Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.01Å; I313-I316 WeakPolarHBondContact O-CB 3.5Å; I313-I316 PolarHBondContact O-N 3.3Å; I313-I316 VanDerWaalsContact O-N 3.13Å; I313-H317 PolarHBondContact O-CD2 2.95Å; I313-H317 PolarHBondContact O-N 2.89Å; I313-L348 HydrophobicContact CB-CD1 4.08Å; I313-L348 HydrophobicContact CD1-CD1 4.17Å; I313-L348 HydrophobicContact CG2-CB 4.04Å; I313-L348 HydrophobicContact CG2-CD1 3.87Å
314L90.8Very high87.6Confident0 Ų061.4 Ų61.40%029%0.293CS..Hα-helixtrans-60.8-40.5177-72.8170.6000111.5R310 I316 H317 T318 I333 L336 A337 L348 V352R310-L314 WeakPolarHBondContact O-CB 3.46Å; R310-L314 WeakPolarHBondContact O-CG 3.48Å; R310-L314 PolarHBondContact O-N 3.11Å; L314-I316 VanDerWaalsContact C-N 3.34Å; L314-I316 PolarHBondContact O-N 2.66Å; L314-H317 PolarHBondContact O-N 2.95Å; L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.47Å; L314-T318 VanDerWaalsContact O-CG2 3.23Å; L314-T318 WeakPolarHBondContact O-CG2 3.21Å; L314-T318 PolarHBondContact O-N 3.45Å; L314-T318 PolarHBondContact O-OG1 2.89Å; L314-I333 HydrophobicContact CB-CG2 3.57Å; L314-I333 HydrophobicContact CD1-CG2 4.04Å; L314-I333 HydrophobicContact CG-CG2 4.48Å; L314-L336 HydrophobicContact CD1-CB 4.06Å; L314-A337 HydrophobicContact CD1-CB 4.39Å; L314-L348 HydrophobicContact CD1-CD2 4.49Å; L314-L348 HydrophobicContact CD2-CB 4.38Å; L314-L348 HydrophobicContact CD2-CD2 4.22Å; L314-L348 HydrophobicContact CG-CD2 4.35Å; L314-V352 HydrophobicContact CD2-CG2 3.95Å
315N90.3Very high87.7Confident56 Ų5665.1 Ų65.130%0.29931%0.313SS..Hα-helixtrans-60.3-41.6174.1-84.6-45.5000112.1I311 Q312 I313 T318 A319 R322 I333I311-N315 WeakPolarHBondContact CG2-ND2 3.4Å; I311-N315 VanDerWaalsContact O-CB 3.29Å; I311-N315 WeakPolarHBondContact O-CB 3.37Å; I311-N315 VanDerWaalsContact O-CG 3.31Å; I311-N315 PolarHBondContact O-N 3.37Å; I311-N315 PolarHBondContact O-ND2 2.8Å; Q312-N315 WeakPolarHBondContact O-CB 3.44Å; Q312-N315 PolarHBondContact O-N 3.4Å; I313-N315 VanDerWaalsContact C-N 3.31Å; I313-N315 PolarHBondContact O-N 3.01Å; N315-T318 WeakPolarHBondContact CA-OG1 3.31Å; N315-T318 PolarHBondContact O-N 3.49Å; N315-T318 PolarHBondContact O-OG1 3.18Å; N315-A319 WeakPolarHBondContact O-CA 3.38Å; N315-A319 VanDerWaalsContact O-CB 3.31Å; N315-A319 WeakPolarHBondContact O-CB 3.34Å; N315-A319 PolarHBondContact O-N 3.48Å; N315-R322 PolarHBondContact OD1-NH1 3.41Å; N315-I333 VanDerWaalsContact OD1-CD1 3.25Å; N315-I333 WeakPolarHBondContact OD1-CD1 3.17Å
316I88.6Confident87.7Confident46 Ų4667.9 Ų67.924%0.23633%0.327CS..Hα-helixtrans-63.7-48.8178.8-69.6159.5000110.7Q312 I313 L314 T318 A319Q312-I316 WeakPolarHBondContact O-CD1 3.47Å; Q312-I316 VanDerWaalsContact O-CG1 3.26Å; Q312-I316 WeakPolarHBondContact O-CG1 3.42Å; Q312-I316 PolarHBondContact O-N 3.43Å; I313-I316 WeakPolarHBondContact O-CB 3.5Å; I313-I316 PolarHBondContact O-N 3.3Å; I313-I316 VanDerWaalsContact O-N 3.13Å; L314-I316 VanDerWaalsContact C-N 3.34Å; L314-I316 PolarHBondContact O-N 2.66Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3Å; I316-A319 WeakPolarHBondContact O-CB 3.5Å; I316-A319 PolarHBondContact O-N 3.37Å
317H88.9Confident87.9Confident60 Ų6064.9 Ų64.928%0.27831%0.311SS..Hα-helixtrans-70.4-30.8-179-68.8-71.6000112.7I313 L314 E349 V352I313-H317 PolarHBondContact O-CD2 2.95Å; I313-H317 PolarHBondContact O-N 2.89Å; L314-H317 PolarHBondContact O-N 2.95Å; H317-E349 IonicContact CE1-OE2 3.64Å; H317-V352 HydrophobicContact CB-CG1 4.47Å; H317-V352 HydrophobicContact CB-CG2 4.22Å
318T88.3Confident88Confident3 Ų361 Ų612%0.01830%0.295CS..Hα-helixtrans-86.2-12.9177.159.10000113.9L314 N315 I316 K320 M321 R322 I333 V352L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.47Å; L314-T318 VanDerWaalsContact O-CG2 3.23Å; L314-T318 WeakPolarHBondContact O-CG2 3.21Å; L314-T318 PolarHBondContact O-N 3.45Å; L314-T318 PolarHBondContact O-OG1 2.89Å; N315-T318 WeakPolarHBondContact CA-OG1 3.31Å; N315-T318 PolarHBondContact O-N 3.49Å; N315-T318 PolarHBondContact O-OG1 3.18Å; I316-T318 VanDerWaalsContact C-N 3.35Å; I316-T318 PolarHBondContact O-N 3Å; T318-K320 VanDerWaalsContact C-N 3.33Å; T318-K320 PolarHBondContact O-N 3.47Å; T318-M321 WeakPolarHBondContact O-CB 3.33Å; T318-M321 PolarHBondContact O-N 3.32Å; T318-R322 WeakPolarHBondContact O-CG 3.37Å; T318-R322 PolarHBondContact O-N 3Å; T318-I333 HydrophobicContact CG2-CD1 4.26Å; T318-I333 VanDerWaalsContact OG1-CD1 3.26Å; T318-I333 WeakPolarHBondContact OG1-CD1 3.01Å; T318-V352 HydrophobicContact CG2-CG2 4.46Å
319A88.4Confident88Confident38 Ų3862.6 Ų62.631%0.31431%0.31SS..Hα-helixtrans-56.1-44.3-177.300000112.7N315 I316 R322 Q323N315-A319 WeakPolarHBondContact O-CA 3.38Å; N315-A319 VanDerWaalsContact O-CB 3.31Å; N315-A319 WeakPolarHBondContact O-CB 3.34Å; N315-A319 PolarHBondContact O-N 3.48Å; I316-A319 WeakPolarHBondContact O-CB 3.5Å; I316-A319 PolarHBondContact O-N 3.37Å; A319-R322 PolarHBondContact O-N 3.06Å; A319-Q323 VanDerWaalsContact O-CG 3.29Å; A319-Q323 WeakPolarHBondContact O-CG 3.4Å; A319-Q323 PolarHBondContact O-N 3.13Å
320K86.8Confident88Confident156 Ų15666 Ų6668%0.67833%0.327SS*.Hα-helixtrans-64.2-42176.7-69.8-177.5-179.4177.20111.6T318 R322 Q323 Y324T318-K320 VanDerWaalsContact C-N 3.33Å; T318-K320 PolarHBondContact O-N 3.47Å; K320-R322 VanDerWaalsContact C-N 3.31Å; K320-R322 PolarHBondContact O-N 3.22Å; K320-Q323 PolarHBondContact O-N 3.37Å; K320-Y324 WeakPolarHBondContact O-CD2 2.85Å; K320-Y324 PolarHBondContact O-N 3.15Å
321M86.7Confident88Confident14 Ų1465.6 Ų65.67%0.06933%0.327CS..Hα-helixtrans-64.3-38.6179-59.1174.977.200111.6T318 Y324 N325 L326 L327 V352 Q356 V382T318-M321 WeakPolarHBondContact O-CB 3.33Å; T318-M321 PolarHBondContact O-N 3.32Å; M321-Y324 PolarHBondContact O-N 3.11Å; M321-N325 PolarHBondContact O-N 2.74Å; M321-L326 PolarHBondContact O-N 3.31Å; M321-L327 HydrophobicContact CB-CB 4.35Å; M321-V352 HydrophobicContact SD-CG1 3.92Å; M321-Q356 HydrophobicContact CE-CG 3.6Å; M321-Q356 HydrophobicContact SD-CG 4.14Å; M321-Q356 PolarHBondContact SD-NE2 3.35Å; M321-V382 HydrophobicContact CE-CB 3.81Å; M321-V382 HydrophobicContact CE-CG1 4.39Å; M321-V382 HydrophobicContact CE-CG2 3.3Å
322R86.4Confident87.9Confident102 Ų10267.9 Ų67.939%0.38534%0.339SS..Hα-helixtrans-66-42.3174.5-73.1175.4170.9171.6-8.2112.4N315 T318 A319 K320 Y324 N325 L327N315-R322 PolarHBondContact OD1-NH1 3.41Å; T318-R322 WeakPolarHBondContact O-CG 3.37Å; T318-R322 PolarHBondContact O-N 3Å; A319-R322 PolarHBondContact O-N 3.06Å; K320-R322 VanDerWaalsContact C-N 3.31Å; K320-R322 PolarHBondContact O-N 3.22Å; R322-Y324 PolarHBondContact O-N 2.67Å; R322-N325 PolarHBondContact O-N 2.93Å; R322-N325 VanDerWaalsContact O-N 3.08Å; R322-L327 HydrophobicContact CG-CB 4.24Å; R322-L327 HydrophobicContact CG-CD2 3.65Å
323Q87.1Confident87.9Confident146 Ų14665 Ų6568%0.68233%0.326SS*.Hα-helixtrans-58.4-34.9177.5-76.2171.81.200112.7A319 K320A319-Q323 VanDerWaalsContact O-CG 3.29Å; A319-Q323 WeakPolarHBondContact O-CG 3.4Å; A319-Q323 PolarHBondContact O-N 3.13Å; K320-Q323 PolarHBondContact O-N 3.37Å
324Y86.6Confident88Confident173 Ų17370.9 Ų70.968%0.67835%0.351SS*.THydrogen-bonded Turntrans-95.79.8178-65.4-71.2000114.1K320 M321 R322 L326K320-Y324 WeakPolarHBondContact O-CD2 2.85Å; K320-Y324 PolarHBondContact O-N 3.15Å; M321-Y324 PolarHBondContact O-N 3.11Å; R322-Y324 PolarHBondContact O-N 2.67Å; Y324-L326 PolarHBondContact O-N 2.84Å
325N84.2Confident88Confident124 Ų12474 Ų7466%0.66337%0.365SS*.THydrogen-bonded Turntrans54.429.1-177.6-65-38.9000115M321 R322 Q381M321-N325 PolarHBondContact O-N 2.74Å; R322-N325 PolarHBondContact O-N 2.93Å; R322-N325 VanDerWaalsContact O-N 3.08Å; N325-Q381 PolarHBondContact O-NE2 3.29Å
326L85.9Confident87.9Confident70 Ų7071.8 Ų71.837%0.36635%0.354SS..  trans-90.7-2.2177.5-63.5173.4000113M321 Y324 L380 Q381 V382M321-L326 PolarHBondContact O-N 3.31Å; Y324-L326 PolarHBondContact O-N 2.84Å; L326-L380 VanDerWaalsContact CD2-O 3.27Å; L326-L380 WeakPolarHBondContact CD2-O 3.4Å; L326-Q381 WeakPolarHBondContact O-CA 3.13Å; L326-V382 PolarHBondContact O-N 2.64Å
327L87.3Confident87.9Confident20 Ų2069.6 Ų69.611%0.10534%0.343CS..BIsolated β-bridgetrans-101125.6173.2-168.973.3000108.5M321 R322 V331 V382 F387M321-L327 HydrophobicContact CB-CB 4.35Å; R322-L327 HydrophobicContact CG-CB 4.24Å; R322-L327 HydrophobicContact CG-CD2 3.65Å; L327-V331 HydrophobicContact CD1-CB 4.2Å; L327-V331 HydrophobicContact CD1-CG1 4.26Å; L327-V331 HydrophobicContact CD1-CG2 4Å; L327-V331 HydrophobicContact CD2-CB 4.45Å; L327-V331 HydrophobicContact CG-CB 4.27Å; L327-V331 HydrophobicContact CG-CG2 4.34Å; L327-V382 HydrophobicContact CD1-CB 4.47Å; L327-F387 HydrophobicContact CD1-CE2 4Å; L327-F387 HydrophobicContact CD1-CZ 4.43Å
328A87.4Confident87.8Confident13 Ų1369.8 Ų69.811%0.10735%0.348CS..  trans-69.2154.9176.300000111.2D330 V331 Q381 V382A328-D330 WeakPolarHBondContact CB-OD1 3.36Å; A328-D330 PolarHBondContact O-N 2.92Å; A328-V331 PolarHBondContact O-N 3.47Å; A328-Q381 HydrophobicContact CB-CB 4.18Å; A328-V382 WeakPolarHBondContact CB-O 3.38Å; A328-V382 PolarHBondContact N-O 3.23Å
329T86.1Confident87.6Confident157 Ų15774.9 Ų74.996%0.96337%0.371SS*.THydrogen-bonded Turntrans-73.3-9.9-176.851.90000113.7V331T329-V331 VanDerWaalsContact C-N 3.32Å
330D89.4Confident87.3Confident73 Ų7373.1 Ų73.139%0.3936%0.357SS..THydrogen-bonded Turntrans-79.7-12.4178.666.8-25.9000113.3A328 D332 R384A328-D330 WeakPolarHBondContact CB-OD1 3.36Å; A328-D330 PolarHBondContact O-N 2.92Å; D330-D332 PolarHBondContact O-N 3.34Å; D330-R384 HydrophobicContact CB-CB 4.37Å; D330-R384 PolarHBondContact OD1-N 3.35Å; D330-R384 VanDerWaalsContact OD2-CB 3.31Å; D330-R384 WeakPolarHBondContact OD2-CB 3.43Å; D330-R384 PolarHBondContact OD2-N 2.93Å
331V87.9Confident86.9Confident14 Ų1469.5 Ų69.59%0.08534%0.341CS..  trans-84106.6-177.7-175.30000110.9L327 A328 T329 L336 R384 F387L327-V331 HydrophobicContact CD1-CB 4.2Å; L327-V331 HydrophobicContact CD1-CG1 4.26Å; L327-V331 HydrophobicContact CD1-CG2 4Å; L327-V331 HydrophobicContact CD2-CB 4.45Å; L327-V331 HydrophobicContact CG-CB 4.27Å; L327-V331 HydrophobicContact CG-CG2 4.34Å; A328-V331 PolarHBondContact O-N 3.47Å; T329-V331 VanDerWaalsContact C-N 3.32Å; V331-L336 HydrophobicContact CG1-CD1 3.86Å; V331-R384 HydrophobicContact CG2-CB 4.49Å; V331-F387 HydrophobicContact CG1-CD2 4.03Å; V331-F387 HydrophobicContact CG1-CE2 3.89Å; V331-F387 HydrophobicContact CG2-CD2 4.15Å; V331-F387 HydrophobicContact CG2-CE2 4.14Å
332D89.9Confident86.4Confident78 Ų7869.5 Ų69.542%0.41734%0.341SS..  trans-92.2120.2166.3-172.18000111.3D330 K334 E335 L336D330-D332 PolarHBondContact O-N 3.34Å; D332-K334 VanDerWaalsContact C-N 3.29Å; D332-K334 PolarHBondContact O-N 2.89Å; D332-K334 PolarHBondContact OD1-N 3.21Å; D332-E335 HydrophobicContact CB-CB 4.03Å; D332-E335 PolarHBondContact O-N 3.29Å; D332-L336 WeakPolarHBondContact O-CG 3.36Å; D332-L336 PolarHBondContact O-N 2.79Å
333I89.8Confident86.2Confident5 Ų565.2 Ų65.23%0.02633%0.325CS..Hα-helixtrans-70.6-28.8178.3-66.9-173.8000111.7I311 L314 N315 T318 L336 A337I311-I333 HydrophobicContact CG2-CG2 4.22Å; L314-I333 HydrophobicContact CB-CG2 3.57Å; L314-I333 HydrophobicContact CD1-CG2 4.04Å; L314-I333 HydrophobicContact CG-CG2 4.48Å; N315-I333 VanDerWaalsContact OD1-CD1 3.25Å; N315-I333 WeakPolarHBondContact OD1-CD1 3.17Å; T318-I333 HydrophobicContact CG2-CD1 4.26Å; T318-I333 VanDerWaalsContact OG1-CD1 3.26Å; T318-I333 WeakPolarHBondContact OG1-CD1 3.01Å; I333-L336 PolarHBondContact O-N 3.39Å; I333-A337 WeakPolarHBondContact O-CB 3.31Å; I333-A337 PolarHBondContact O-N 3.24Å
334K91Very high86.2Confident140 Ų14058.4 Ų58.461%0.60929%0.294SS*.Hα-helixtrans-67.3-44.1178-65.7-179.6178.6178.70110.5I311 D332 L336 A337 V338I311-K334 HydrophobicContact CD1-CG 4.22Å; D332-K334 VanDerWaalsContact C-N 3.29Å; D332-K334 PolarHBondContact O-N 2.89Å; D332-K334 PolarHBondContact OD1-N 3.21Å; K334-L336 PolarHBondContact O-N 3.38Å; K334-A337 PolarHBondContact O-N 3.02Å; K334-V338 WeakPolarHBondContact O-CG2 3.42Å; K334-V338 PolarHBondContact O-N 3.19Å; K334-V338 VanDerWaalsContact O-N 3.16Å
335E90.4Very high86.2Confident65 Ų6550.9 Ų50.930%0.30427%0.268SS..Hα-helixtrans-56.1-50.7173.3-173.6-179.1-159.200111.1D332 A337 V338 E339 R384D332-E335 HydrophobicContact CB-CB 4.03Å; D332-E335 PolarHBondContact O-N 3.29Å; E335-A337 VanDerWaalsContact C-N 3.28Å; E335-A337 PolarHBondContact O-N 3.49Å; E335-V338 PolarHBondContact O-N 3.46Å; E335-V338 VanDerWaalsContact O-N 3.11Å; E335-E339 PolarHBondContact O-N 2.9Å; E335-E339 VanDerWaalsContact O-N 3.16Å; E335-R384 IonicContact OE1-CZ 2.86Å; E335-R384 IonicContact OE1-NE 2.69Å; E335-R384 PolarHBondContact OE1-NE 3.49Å; E335-R384 IonicContact OE1-NH2 3Å; E335-R384 PolarHBondContact OE1-NH2 2.88Å; E335-R384 IonicContact OE2-CZ 2.79Å; E335-R384 IonicContact OE2-NE 2.72Å; E335-R384 PolarHBondContact OE2-NE 3.45Å; E335-R384 IonicContact OE2-NH2 3.9Å
336L88.9Confident86.3Confident11 Ų1147.4 Ų47.46%0.05826%0.257CS..Hα-helixtrans-59.9-36.4178.1-65.8177000113L314 V331 D332 I333 K334 V338 E339 T340 F387L314-L336 HydrophobicContact CD1-CB 4.06Å; V331-L336 HydrophobicContact CG1-CD1 3.86Å; D332-L336 WeakPolarHBondContact O-CG 3.36Å; D332-L336 PolarHBondContact O-N 2.79Å; I333-L336 PolarHBondContact O-N 3.39Å; K334-L336 PolarHBondContact O-N 3.38Å; L336-V338 VanDerWaalsContact C-N 3.32Å; L336-V338 PolarHBondContact O-N 3.28Å; L336-E339 PolarHBondContact O-N 2.89Å; L336-T340 VanDerWaalsContact O-CB 3.31Å; L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 WeakPolarHBondContact O-CG2 3.46Å; L336-T340 PolarHBondContact O-N 2.96Å; L336-T340 PolarHBondContact O-OG1 3.21Å; L336-F387 HydrophobicContact CD1-CB 4.34Å; L336-F387 HydrophobicContact CD1-CD1 3.86Å; L336-F387 HydrophobicContact CD1-CD2 4.29Å; L336-F387 HydrophobicContact CD1-CE1 4.19Å; L336-F387 HydrophobicContact CD1-CG 3.91Å; L336-F387 HydrophobicContact CD2-CB 3.82Å; L336-F387 HydrophobicContact CD2-CG 4.29Å
337A88.4Confident86.5Confident0 Ų045.3 Ų45.30%025%0.245CC..Hα-helixtrans-68.8-29.6178.400000113.4R310 I311 L314 I333 K334 E335 T340R310-A337 HydrophobicContact CB-CB 4.21Å; R310-A337 PolarHBondContact NE-O 3.06Å; R310-A337 PolarHBondContact NH2-O 3.02Å; I311-A337 HydrophobicContact CD1-CB 4.28Å; I311-A337 HydrophobicContact CG1-CB 3.41Å; I311-A337 VanDerWaalsContact CG1-CB 3.41Å; L314-A337 HydrophobicContact CD1-CB 4.39Å; I333-A337 WeakPolarHBondContact O-CB 3.31Å; I333-A337 PolarHBondContact O-N 3.24Å; K334-A337 PolarHBondContact O-N 3.02Å; E335-A337 VanDerWaalsContact C-N 3.28Å; E335-A337 PolarHBondContact O-N 3.49Å; A337-T340 WeakPolarHBondContact CA-OG1 3.26Å
338V87.1Confident86.6Confident63 Ų6344.3 Ų44.338%0.38224%0.24SC..Hα-helixtrans-73.5-41.5176173.40000110.6E307 K334 E335 L336 K341E307-V338 WeakPolarHBondContact OE1-CG2 3.49Å; K334-V338 WeakPolarHBondContact O-CG2 3.42Å; K334-V338 PolarHBondContact O-N 3.19Å; K334-V338 VanDerWaalsContact O-N 3.16Å; E335-V338 PolarHBondContact O-N 3.46Å; E335-V338 VanDerWaalsContact O-N 3.11Å; L336-V338 VanDerWaalsContact C-N 3.32Å; L336-V338 PolarHBondContact O-N 3.28Å; V338-K341 WeakPolarHBondContact O-CE 3.26Å; V338-K341 VanDerWaalsContact O-CG 3.24Å; V338-K341 WeakPolarHBondContact O-CG 3.25Å
339E83.6Confident86.7Confident111 Ų11148.5 Ų48.552%0.51926%0.258SS..Hα-helixtrans-73.3-33.8178.9-65.3-59.8148.100112.6E335 L336 K341 L391E335-E339 PolarHBondContact O-N 2.9Å; E335-E339 VanDerWaalsContact O-N 3.16Å; L336-E339 PolarHBondContact O-N 2.89Å; E339-K341 PolarHBondContact O-N 3.4Å; E339-L391 HydrophobicContact CB-CD2 4.18Å
340T83.2Confident86.9Confident1 Ų142 Ų421%0.00622%0.222CC..SBendtrans-82.450.4-17954.80000113.6R310 L336 A337 N342 Y343 L348 L351 L391R310-T340 WeakPolarHBondContact CD-O 3.29Å; R310-T340 PolarHBondContact NE-O 3.45Å; R310-T340 VanDerWaalsContact NE-O 3.13Å; L336-T340 VanDerWaalsContact O-CB 3.31Å; L336-T340 WeakPolarHBondContact O-CB 3.46Å; L336-T340 WeakPolarHBondContact O-CG2 3.46Å; L336-T340 PolarHBondContact O-N 2.96Å; L336-T340 PolarHBondContact O-OG1 3.21Å; A337-T340 WeakPolarHBondContact CA-OG1 3.26Å; T340-N342 PolarHBondContact O-N 3.04Å; T340-Y343 HydrophobicContact CG2-CD1 4.33Å; T340-Y343 HydrophobicContact CG2-CD2 4.41Å; T340-Y343 HydrophobicContact CG2-CE1 4.48Å; T340-Y343 HydrophobicContact CG2-CG 4.32Å; T340-Y343 PolarHBondContact O-N 3.29Å; T340-L348 HydrophobicContact CG2-CD2 4.12Å; T340-L351 HydrophobicContact CG2-CD2 3.48Å; T340-L351 VanDerWaalsContact CG2-CD2 3.48Å; T340-L391 HydrophobicContact CG2-CD1 3.73Å
341K77.6Confident87Confident80 Ų8038.6 Ų38.635%0.34820%0.204SC..THydrogen-bonded Turntrans-61.2133.5178.1-59.7-177.5-176.9172.30110.7V338 E339 Y343V338-K341 WeakPolarHBondContact O-CE 3.26Å; V338-K341 VanDerWaalsContact O-CG 3.24Å; V338-K341 WeakPolarHBondContact O-CG 3.25Å; E339-K341 PolarHBondContact O-N 3.4Å; K341-Y343 WeakPolarHBondContact O-CD2 3.37Å; K341-Y343 PolarHBondContact O-N 3.38Å
342N76.6Confident87.2Confident14 Ų1438.2 Ų38.28%0.07520%0.201CC..THydrogen-bonded Turntrans61.112.7-178.6-67.6-19.2000117.2L304 T340 S344 Y399 P470L304-N342 HydrophobicContact CD1-CB 4.35Å; T340-N342 PolarHBondContact O-N 3.04Å; N342-S344 PolarHBondContact O-N 3.08Å; N342-Y399 WeakPolarHBondContact CB-O 3.44Å; N342-P470 PolarHBondContact ND2-O 3.44Å
343Y82.5Confident87.3Confident11 Ų1143.4 Ų43.44%0.04322%0.215CC..  trans-67.2131.1171.8-80.9-125.4000109.8P305 T340 K341 E347 L348 L391 I395 P397P305-Y343 WeakPolarHBondContact CD-O 3.18Å; P305-Y343 VanDerWaalsContact CG-O 3.3Å; P305-Y343 WeakPolarHBondContact CG-O 3.38Å; T340-Y343 HydrophobicContact CG2-CD1 4.33Å; T340-Y343 HydrophobicContact CG2-CD2 4.41Å; T340-Y343 HydrophobicContact CG2-CE1 4.48Å; T340-Y343 HydrophobicContact CG2-CG 4.32Å; T340-Y343 PolarHBondContact O-N 3.29Å; K341-Y343 WeakPolarHBondContact O-CD2 3.37Å; K341-Y343 PolarHBondContact O-N 3.38Å; Y343-E347 HydrophobicContact CD1-CB 3.73Å; Y343-E347 HydrophobicContact CE1-CB 4.45Å; Y343-E347 HydrophobicContact CG-CB 4.29Å; Y343-L348 HydrophobicContact CD1-CD2 4.26Å; Y343-L348 HydrophobicContact CG-CD2 4.22Å; Y343-L391 HydrophobicContact CE1-CD1 4.33Å; Y343-L391 HydrophobicContact CE2-CD1 4.4Å; Y343-L391 WeakPolarHBondContact OH-CD1 3.36Å; Y343-I395 HydrophobicContact CE1-CG2 3.84Å; Y343-I395 PolarHBondContact OH-O 2.89Å; Y343-P397 HydrophobicContact CD2-CB 4.08Å; Y343-P397 HydrophobicContact CE2-CB 3.81Å; Y343-P397 HydrophobicContact CE2-CG 3.98Å
344S85.9Confident87.3Confident4 Ų444 Ų443%0.02822%0.22CC..  trans-73.3163.6168.8670000111N342 A346 E347 L348N342-S344 PolarHBondContact O-N 3.08Å; S344-A346 VanDerWaalsContact C-N 3.26Å; S344-A346 PolarHBondContact O-N 2.87Å; S344-E347 WeakPolarHBondContact CB-OE2 3.33Å; S344-E347 PolarHBondContact N-OE2 2.93Å; S344-E347 PolarHBondContact O-N 3.31Å; S344-E347 VanDerWaalsContact OG-CG 3.28Å; S344-E347 WeakPolarHBondContact OG-CG 3.27Å; S344-E347 PolarHBondContact OG-N 3.15Å; S344-E347 PolarHBondContact OG-OE2 3.41Å; S344-L348 WeakPolarHBondContact O-CG 3.49Å; S344-L348 PolarHBondContact O-N 3.11Å
345G87Confident87.3Confident14 Ų1437.3 Ų37.314%0.14419%0.191CC..Hα-helixtrans-56.5-39.8179.400000113.1G170 L348 E349G170-G345 PolarHBondContact O-N 2.9Å; G170-G345 VanDerWaalsContact O-N 3.15Å; G345-L348 PolarHBondContact O-N 3.08Å; G345-E349 PolarHBondContact O-N 2.93Å
346A87.5Confident87.3Confident51 Ų5137 Ų3742%0.42119%0.19SC..Hα-helixtrans-68.4-33.9176.400000113G170 S344 G350G170-A346 PolarHBondContact O-N 3.35Å; S344-A346 VanDerWaalsContact C-N 3.26Å; S344-A346 PolarHBondContact O-N 2.87Å; A346-G350 PolarHBondContact O-N 3.41Å
347E88.8Confident87.3Confident26 Ų2639.9 Ų39.912%0.12121%0.211CC..Hα-helixtrans-73.2-36.1176-70.4161.8155.300111.7Y343 S344 G350 L351 A398Y343-E347 HydrophobicContact CD1-CB 3.73Å; Y343-E347 HydrophobicContact CE1-CB 4.45Å; Y343-E347 HydrophobicContact CG-CB 4.29Å; S344-E347 WeakPolarHBondContact CB-OE2 3.33Å; S344-E347 PolarHBondContact N-OE2 2.93Å; S344-E347 PolarHBondContact O-N 3.31Å; S344-E347 VanDerWaalsContact OG-CG 3.28Å; S344-E347 WeakPolarHBondContact OG-CG 3.27Å; S344-E347 PolarHBondContact OG-N 3.15Å; S344-E347 PolarHBondContact OG-OE2 3.41Å; E347-G350 CarbonylContact O-C 3.57Å; E347-G350 WeakPolarHBondContact O-CA 3.46Å; E347-G350 PolarHBondContact O-N 3.25Å; E347-L351 PolarHBondContact O-N 2.9Å; E347-A398 WeakPolarHBondContact OE1-CA 3.49Å; E347-A398 WeakPolarHBondContact OE1-CB 3.26Å; E347-A398 PolarHBondContact OE1-N 3.15Å
348L89.9Confident87.3Confident0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-64.9-42.2172-67.9173.8000111.7P305 R310 I313 L314 T340 Y343 S344 G345 G350 L351 V352P305-L348 HydrophobicContact CG-CD1 4.48Å; R310-L348 HydrophobicContact CB-CD1 3.94Å; R310-L348 HydrophobicContact CG-CD1 3.84Å; I313-L348 HydrophobicContact CB-CD1 4.08Å; I313-L348 HydrophobicContact CD1-CD1 4.17Å; I313-L348 HydrophobicContact CG2-CB 4.04Å; I313-L348 HydrophobicContact CG2-CD1 3.87Å; L314-L348 HydrophobicContact CD1-CD2 4.49Å; L314-L348 HydrophobicContact CD2-CB 4.38Å; L314-L348 HydrophobicContact CD2-CD2 4.22Å; L314-L348 HydrophobicContact CG-CD2 4.35Å; T340-L348 HydrophobicContact CG2-CD2 4.12Å; Y343-L348 HydrophobicContact CD1-CD2 4.26Å; Y343-L348 HydrophobicContact CG-CD2 4.22Å; S344-L348 WeakPolarHBondContact O-CG 3.49Å; S344-L348 PolarHBondContact O-N 3.11Å; G345-L348 PolarHBondContact O-N 3.08Å; L348-G350 VanDerWaalsContact C-N 3.3Å; L348-L351 WeakPolarHBondContact O-CB 3.24Å; L348-L351 PolarHBondContact O-N 3.4Å; L348-V352 WeakPolarHBondContact O-CG2 3.47Å; L348-V352 PolarHBondContact O-N 3Å; L348-V352 VanDerWaalsContact O-N 3.15Å
349E89.6Confident87.3Confident101 Ų10138.6 Ų38.647%0.47220%0.204SC..Hα-helixtrans-60.6-44.3171.6-178.9178.8-175.800110.8H317 G345 L351 V352 R353H317-E349 IonicContact CE1-OE2 3.64Å; G345-E349 PolarHBondContact O-N 2.93Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.38Å; E349-V352 PolarHBondContact O-N 2.7Å; E349-R353 WeakPolarHBondContact O-CB 3.43Å; E349-R353 PolarHBondContact O-N 2.99Å
350G90.4Very high87.3Confident21 Ų2138.3 Ų38.322%0.21620%0.203CC..Hα-helixtrans-52.8-49.1172.100000111.5A346 E347 L348 V352 R353 A354 I395A346-G350 PolarHBondContact O-N 3.41Å; E347-G350 CarbonylContact O-C 3.57Å; E347-G350 WeakPolarHBondContact O-CA 3.46Å; E347-G350 PolarHBondContact O-N 3.25Å; L348-G350 VanDerWaalsContact C-N 3.3Å; G350-V352 VanDerWaalsContact C-N 3.32Å; G350-V352 PolarHBondContact O-N 3.44Å; G350-R353 CarbonylContact O-C 3.59Å; G350-R353 WeakPolarHBondContact O-CA 3.16Å; G350-R353 WeakPolarHBondContact O-CB 3.38Å; G350-R353 PolarHBondContact O-N 3.38Å; G350-A354 PolarHBondContact O-N 2.85Å; G350-I395 WeakPolarHBondContact O-CD1 3.39Å
351L90.9Very high87.4Confident1 Ų143.4 Ų43.41%0.00523%0.23CC..Hα-helixtrans-58.7-45.3-177.1-17967.1000111.3T340 E347 L348 E349 R353 A354 A355 F387 L391 I395T340-L351 HydrophobicContact CG2-CD2 3.48Å; T340-L351 VanDerWaalsContact CG2-CD2 3.48Å; E347-L351 PolarHBondContact O-N 2.9Å; L348-L351 WeakPolarHBondContact O-CB 3.24Å; L348-L351 PolarHBondContact O-N 3.4Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.38Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 3.42Å; L351-A354 PolarHBondContact O-N 3.15Å; L351-A355 WeakPolarHBondContact O-CB 3.3Å; L351-A355 PolarHBondContact O-N 2.93Å; L351-F387 HydrophobicContact CG-CD1 4.32Å; L351-L391 HydrophobicContact CD1-CB 4.23Å; L351-L391 HydrophobicContact CD1-CD1 4.19Å; L351-L391 HydrophobicContact CD2-CD1 4.21Å; L351-I395 VanDerWaalsContact CA-CD1 3.46Å; L351-I395 HydrophobicContact CB-CD1 4.44Å
352V91.8Very high87.3Confident5 Ų545.4 Ų45.43%0.0324%0.236CC..Hα-helixtrans-62.7-41.9175.5178.10000110.9L314 H317 T318 M321 L348 E349 G350 A355 Q356 F387L314-V352 HydrophobicContact CD2-CG2 3.95Å; H317-V352 HydrophobicContact CB-CG1 4.47Å; H317-V352 HydrophobicContact CB-CG2 4.22Å; T318-V352 HydrophobicContact CG2-CG2 4.46Å; M321-V352 HydrophobicContact SD-CG1 3.92Å; L348-V352 WeakPolarHBondContact O-CG2 3.47Å; L348-V352 PolarHBondContact O-N 3Å; L348-V352 VanDerWaalsContact O-N 3.15Å; E349-V352 PolarHBondContact O-N 2.7Å; G350-V352 VanDerWaalsContact C-N 3.32Å; G350-V352 PolarHBondContact O-N 3.44Å; V352-A355 PolarHBondContact O-N 3.06Å; V352-Q356 VanDerWaalsContact O-CG 3.23Å; V352-Q356 WeakPolarHBondContact O-CG 3.25Å; V352-Q356 PolarHBondContact O-N 3.27Å; V352-F387 HydrophobicContact CG2-CE1 4.12Å
353R91.6Very high87.2Confident188 Ų18847.5 Ų47.571%0.70925%0.245SC*.Hα-helixtrans-67.9-38.4179-172.4178.4177.7-177.7-1.4112.9E349 G350 L351 Q356 S357E349-R353 WeakPolarHBondContact O-CB 3.43Å; E349-R353 PolarHBondContact O-N 2.99Å; G350-R353 CarbonylContact O-C 3.59Å; G350-R353 WeakPolarHBondContact O-CA 3.16Å; G350-R353 WeakPolarHBondContact O-CB 3.38Å; G350-R353 PolarHBondContact O-N 3.38Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 3.42Å; R353-Q356 WeakPolarHBondContact O-CB 3.46Å; R353-Q356 PolarHBondContact O-N 3.48Å; R353-S357 PolarHBondContact O-N 2.95Å
354A90.6Very high86.6Confident16 Ų1650.3 Ų50.313%0.13226%0.26CS..Hα-helixtrans-66.6-46175.200000110.7G350 L351 Q356 S357 T358 S390 D394 I395G350-A354 PolarHBondContact O-N 2.85Å; L351-A354 PolarHBondContact O-N 3.15Å; A354-Q356 VanDerWaalsContact C-N 3.29Å; A354-Q356 PolarHBondContact O-N 3.25Å; A354-S357 CarbonylContact O-C 3.49Å; A354-S357 WeakPolarHBondContact O-CA 3.43Å; A354-S357 WeakPolarHBondContact O-CB 3.35Å; A354-S357 PolarHBondContact O-N 3.46Å; A354-T358 PolarHBondContact O-N 3.43Å; A354-T358 PolarHBondContact O-OG1 3.06Å; A354-T358 VanDerWaalsContact O-OG1 3.11Å; A354-S390 VanDerWaalsContact C-OG 3.26Å; A354-S390 WeakPolarHBondContact CB-OG 3.45Å; A354-S390 PolarHBondContact O-OG 2.92Å; A354-D394 HydrophobicContact CB-CB 4.05Å; A354-I395 HydrophobicContact CB-CD1 3.52Å; A354-I395 HydrophobicContact CB-CG1 4.27Å
355A90.6Very high85.3Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-59.1-40.1175.400000112.1L351 V352 T358 A359 V382 D386 F387 S390L351-A355 WeakPolarHBondContact O-CB 3.3Å; L351-A355 PolarHBondContact O-N 2.93Å; V352-A355 PolarHBondContact O-N 3.06Å; A355-T358 PolarHBondContact O-N 2.77Å; A355-A359 VanDerWaalsContact O-CB 3.32Å; A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 2.78Å; A355-V382 HydrophobicContact CB-CG1 4.03Å; A355-D386 HydrophobicContact CB-CB 4.42Å; A355-F387 HydrophobicContact CB-CD1 3.66Å; A355-F387 HydrophobicContact CB-CD2 4.22Å; A355-F387 HydrophobicContact CB-CE1 3.76Å; A355-F387 HydrophobicContact CB-CE2 4.3Å; A355-F387 HydrophobicContact CB-CG 3.9Å; A355-F387 HydrophobicContact CB-CZ 4.08Å; A355-S390 PolarHBondContact N-OG 2.99Å
356Q90.3Very high83.8Confident58 Ų5861.7 Ų61.727%0.27133%0.326SS..Hα-helixtrans-60.3-46.2171.7-74.2168.3-2.900112M321 V352 R353 A354 A359 M360 V382M321-Q356 HydrophobicContact CE-CG 3.6Å; M321-Q356 HydrophobicContact SD-CG 4.14Å; M321-Q356 PolarHBondContact SD-NE2 3.35Å; V352-Q356 VanDerWaalsContact O-CG 3.23Å; V352-Q356 WeakPolarHBondContact O-CG 3.25Å; V352-Q356 PolarHBondContact O-N 3.27Å; R353-Q356 WeakPolarHBondContact O-CB 3.46Å; R353-Q356 PolarHBondContact O-N 3.48Å; A354-Q356 VanDerWaalsContact C-N 3.29Å; A354-Q356 PolarHBondContact O-N 3.25Å; Q356-A359 PolarHBondContact O-N 3.01Å; Q356-M360 WeakPolarHBondContact O-CB 3.11Å; Q356-M360 VanDerWaalsContact O-CG 3.26Å; Q356-M360 WeakPolarHBondContact O-CG 3.42Å; Q356-M360 PolarHBondContact O-N 3.18Å; Q356-V382 HydrophobicContact CG-CG2 4.42Å
357S88.9Confident82.1Confident73 Ų7363.1 Ų63.151%0.5133%0.333SS..Hα-helixtrans-62.9-43.9178.7-172.10000111.7R353 A354 M360 N361R353-S357 PolarHBondContact O-N 2.95Å; A354-S357 CarbonylContact O-C 3.49Å; A354-S357 WeakPolarHBondContact O-CA 3.43Å; A354-S357 WeakPolarHBondContact O-CB 3.35Å; A354-S357 PolarHBondContact O-N 3.46Å; S357-M360 PolarHBondContact O-N 2.77Å; S357-N361 VanDerWaalsContact O-CB 3.32Å; S357-N361 WeakPolarHBondContact O-CB 3.32Å; S357-N361 PolarHBondContact O-N 3.37Å
358T88.3Confident80.3Confident36 Ų3668.2 Ų68.222%0.22137%0.372CS..Hα-helixtrans-61.6-46.3176.1-59.50000110.7A354 A355 M360 N361 R362 D386 S390A354-T358 PolarHBondContact O-N 3.43Å; A354-T358 PolarHBondContact O-OG1 3.06Å; A354-T358 VanDerWaalsContact O-OG1 3.11Å; A355-T358 PolarHBondContact O-N 2.77Å; T358-M360 PolarHBondContact O-N 2.73Å; T358-N361 PolarHBondContact O-N 2.72Å; T358-R362 WeakPolarHBondContact O-CG 3.2Å; T358-R362 PolarHBondContact O-N 3.49Å; T358-R362 VanDerWaalsContact O-N 3.1Å; T358-D386 HydrophobicContact CG2-CB 4.44Å; T358-S390 PolarHBondContact OG1-OG 3.49Å
359A87.3Confident78.6Confident0 Ų072.5 Ų72.50%040%0.398CS..Hα-helixtrans-60.5-45.6176.100000111.7A355 Q356 N361 R362 H363 L380 V382A355-A359 VanDerWaalsContact O-CB 3.32Å; A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 2.78Å; Q356-A359 PolarHBondContact O-N 3.01Å; A359-N361 VanDerWaalsContact C-N 3.34Å; A359-N361 PolarHBondContact O-N 3.38Å; A359-R362 PolarHBondContact O-N 2.99Å; A359-H363 PolarHBondContact O-CD2 2.91Å; A359-L380 HydrophobicContact CB-CD1 4.17Å; A359-L380 VanDerWaalsContact O-CD1 3.32Å; A359-L380 WeakPolarHBondContact O-CD1 3.34Å; A359-V382 HydrophobicContact CB-CB 4.36Å; A359-V382 HydrophobicContact CB-CG1 4.43Å; A359-V382 HydrophobicContact CB-CG2 3.78Å
360M84.9Confident77.1Confident104 Ų10473.1 Ų73.151%0.51241%0.408SS..Hα-helixtrans-60.6-42.9175.6-72.5176.3-17500111.6Q356 S357 T358 R362 H363 I364 L380Q356-M360 WeakPolarHBondContact O-CB 3.11Å; Q356-M360 VanDerWaalsContact O-CG 3.26Å; Q356-M360 WeakPolarHBondContact O-CG 3.42Å; Q356-M360 PolarHBondContact O-N 3.18Å; S357-M360 PolarHBondContact O-N 2.77Å; T358-M360 PolarHBondContact O-N 2.73Å; M360-R362 VanDerWaalsContact C-N 3.3Å; M360-R362 PolarHBondContact O-N 2.66Å; M360-H363 PolarHBondContact O-N 3.25Å; M360-H363 VanDerWaalsContact O-N 3.11Å; M360-I364 PolarHBondContact O-N 2.85Å; M360-L380 HydrophobicContact CG-CD2 3.94Å
361N83.6Confident75.6Confident108 Ų10879.4 Ų79.458%0.57843%0.432SS*.Hα-helixtrans-63.6-32.8-178.9-162.216.2000112.5S357 T358 A359 H363 I364S357-N361 VanDerWaalsContact O-CB 3.32Å; S357-N361 WeakPolarHBondContact O-CB 3.32Å; S357-N361 PolarHBondContact O-N 3.37Å; T358-N361 PolarHBondContact O-N 2.72Å; A359-N361 VanDerWaalsContact C-N 3.34Å; A359-N361 PolarHBondContact O-N 3.38Å; N361-H363 PolarHBondContact O-N 3.4Å; N361-H363 VanDerWaalsContact O-N 3.17Å; N361-I364 PolarHBondContact O-N 2.77Å; N361-I364 VanDerWaalsContact O-N 3.16Å
362R76.9Confident74.2Confident122 Ų12283.6 Ų83.646%0.4646%0.457SS..Hα-helixtrans-58.3-29.2174.3-67.7-173.7-53.3-177.80.1113.6T358 A359 M360 Q381 S383 D386T358-R362 WeakPolarHBondContact O-CG 3.2Å; T358-R362 PolarHBondContact O-N 3.49Å; T358-R362 VanDerWaalsContact O-N 3.1Å; A359-R362 PolarHBondContact O-N 2.99Å; M360-R362 VanDerWaalsContact C-N 3.3Å; M360-R362 PolarHBondContact O-N 2.66Å; R362-Q381 PolarHBondContact NH2-O 3.06Å; R362-S383 PolarHBondContact NH1-OG 3.09Å; R362-S383 VanDerWaalsContact NH1-OG 3.09Å; R362-D386 IonicContact CZ-OD1 2.82Å; R362-D386 IonicContact CZ-OD2 3.22Å; R362-D386 VanDerWaalsContact CZ-OD2 3.25Å; R362-D386 IonicContact NE-OD1 3.29Å; R362-D386 PolarHBondContact NE-OD1 2.7Å; R362-D386 IonicContact NE-OD2 3.76Å; R362-D386 IonicContact NH1-OD1 3.75Å; R362-D386 PolarHBondContact NH1-OD1 3.2Å; R362-D386 IonicContact NH1-OD2 3.76Å; R362-D386 PolarHBondContact NH1-OD2 3.37Å; R362-D386 IonicContact NH2-OD1 3.88Å; R362-D386 IonicContact NH2-OD2 2.7Å; R362-D386 PolarHBondContact NH2-OD2 3.26Å
363H73Confident72.8Confident59 Ų5986.9 Ų86.927%0.27348%0.475SS..Hα-helixtrans-96.8-8.6-178.3-69.1-87.1000113.3A359 M360 N361 K365 L380A359-H363 PolarHBondContact O-CD2 2.91Å; M360-H363 PolarHBondContact O-N 3.25Å; M360-H363 VanDerWaalsContact O-N 3.11Å; N361-H363 PolarHBondContact O-N 3.4Å; N361-H363 VanDerWaalsContact O-N 3.17Å; H363-K365 PolarHBondContact O-N 2.72Å; H363-L380 WeakPolarHBondContact CD2-CD1 3.28Å
364I70.4Confident71.7Confident70 Ų7083.9 Ų83.936%0.35947%0.471SS..SBendtrans-85.2104.6171.5-62.1170.1000107.1M360 N361 A366 V370M360-I364 PolarHBondContact O-N 2.85Å; N361-I364 PolarHBondContact O-N 2.77Å; N361-I364 VanDerWaalsContact O-N 3.16Å; I364-A366 PolarHBondContact O-N 3.39Å; I364-V370 HydrophobicContact CG2-CG1 4.24Å
365K59.8Low70.4Confident145 Ų14590.2 Ų90.263%0.6350%0.498SS*.  trans-66.4119.7173-72.9178.5-176.9167.20108.5H363 S367H363-K365 PolarHBondContact O-N 2.72Å; K365-S367 PolarHBondContact O-N 3.41Å
366A54.8Low69.1Low112 Ų11292.6 Ų92.693%0.92651%0.513SS*.  trans-72.264.5171.300000110.8I364I364-A366 PolarHBondContact O-N 3.39Å
367S50.7Low67.9Low81 Ų8191.9 Ų91.957%0.56652%0.517SS*.SBendtrans-101.3157.7160.9-67.50000108.1K365 T369K365-S367 PolarHBondContact O-N 3.41Å; S367-T369 CarbonylContact O-C 3.35Å; S367-T369 PolarHBondContact O-N 2.77Å
368S51.7Low66.9Low133 Ų13396 Ų9693%0.9353%0.528SS*.SBendtrans-57-3.1-174.148.80000116.1
369T54Low66.1Low90 Ų90102.3 Ų102.355%0.55255%0.552SS**SBendtrans-129.5124.1171.112.70000107.8S367 E371S367-T369 CarbonylContact O-C 3.35Å; S367-T369 PolarHBondContact O-N 2.77Å; T369-E371 PolarHBondContact O-N 3.36Å
370V58.4Low65.8Low114 Ų114103.8 Ų103.869%0.69156%0.56SS**  trans-72.681.2177.1-176.60000108.1I364 V372I364-V370 HydrophobicContact CG2-CG1 4.24Å; V370-V372 HydrophobicContact CG1-CG2 4.46Å
371E59.4Low65.8Low153 Ų153103.2 Ų103.272%0.71556%0.556SS**  trans-90.7111.3170.1-68.4-172.216900108.6T369 D373T369-E371 PolarHBondContact O-N 3.36Å; E371-D373 PolarHBondContact O-N 3.45Å
372V60.3Low66.1Low88 Ų8898.4 Ų98.453%0.53353%0.531SS..  trans-83.3109.1172.1-179.70000107.6V370 I374 A377V370-V372 HydrophobicContact CG1-CG2 4.46Å; V372-I374 PolarHBondContact O-N 2.79Å; V372-I374 VanDerWaalsContact O-N 3.12Å; V372-A377 HydrophobicContact CG1-CB 4.43Å
373D63.7Low66.7Low74 Ų7493.3 Ų93.340%0.39651%0.514SS..  trans-72.6104.6172.5179.52.3000109.1E371 Q375 T376 A377E371-D373 PolarHBondContact O-N 3.45Å; D373-Q375 PolarHBondContact O-N 2.81Å; D373-Q375 PolarHBondContact OD1-N 3.27Å; D373-T376 WeakPolarHBondContact CB-OG1 3.25Å; D373-T376 PolarHBondContact O-N 3.21Å; D373-T376 VanDerWaalsContact O-N 3.09Å; D373-T376 PolarHBondContact O-OG1 3.38Å; D373-A377 PolarHBondContact O-N 3.41Å; D373-A377 VanDerWaalsContact O-N 3.11Å
374I67.5Low67.5Low125 Ų12594.8 Ų94.864%0.64152%0.517SS*.Hα-helixtrans-57.6-32.9-173.9-58.7169.5000110.8V372 A377 E378V372-I374 PolarHBondContact O-N 2.79Å; V372-I374 VanDerWaalsContact O-N 3.12Å; I374-A377 PolarHBondContact O-N 3.4Å; I374-E378 PolarHBondContact O-N 2.93Å
375Q63.6Low68.4Low150 Ų15097.3 Ų97.370%0.70153%0.531SS*.Hα-helixtrans-72.1-31.7-179.9-63.6-170.6-2.700112.9D373D373-Q375 PolarHBondContact O-N 2.81Å; D373-Q375 PolarHBondContact OD1-N 3.27Å
376T63Low69.9Low49 Ų4990.6 Ų90.630%0.30150%0.502SS..Hα-helixtrans-78.3-28.3172.231.60000113D373 E378 K379D373-T376 WeakPolarHBondContact CB-OG1 3.25Å; D373-T376 PolarHBondContact O-N 3.21Å; D373-T376 VanDerWaalsContact O-N 3.09Å; D373-T376 PolarHBondContact O-OG1 3.38Å; T376-E378 VanDerWaalsContact C-N 3.34Å; T376-K379 PolarHBondContact O-N 2.97Å
377A64.8Low71.5Confident43 Ų4385.3 Ų85.336%0.35546%0.458SS..Hα-helixtrans-67.3-33.5176.700000112.4V372 D373 I374 K379 L380V372-A377 HydrophobicContact CG1-CB 4.43Å; D373-A377 PolarHBondContact O-N 3.41Å; D373-A377 VanDerWaalsContact O-N 3.11Å; I374-A377 PolarHBondContact O-N 3.4Å; A377-K379 PolarHBondContact O-N 3.41Å; A377-L380 VanDerWaalsContact O-CB 3.24Å; A377-L380 WeakPolarHBondContact O-CB 3.37Å; A377-L380 PolarHBondContact O-N 2.88Å
378E68Low73.3Confident160 Ų16083.8 Ų83.875%0.74844%0.443SS*.THydrogen-bonded Turntrans-67.5-19.7175.5-73.1-177.5170.800113.8I374 T376I374-E378 PolarHBondContact O-N 2.93Å; T376-E378 VanDerWaalsContact C-N 3.34Å
379K72.8Confident74.9Confident168 Ų16879.3 Ų79.373%0.7341%0.414SS*.THydrogen-bonded Turntrans-97.26.6176.3-64.2-177.8-176.7175.70113.3T376 A377 Q381T376-K379 PolarHBondContact O-N 2.97Å; A377-K379 PolarHBondContact O-N 3.41Å; K379-Q381 PolarHBondContact O-N 2.91Å; K379-Q381 VanDerWaalsContact O-N 3.16Å
380L80.3Confident76.5Confident31 Ų3175 Ų7516%0.16239%0.388CS..  trans-63.1117.8-177.8-179.372.5000110.1L326 A359 M360 H363 A377L326-L380 VanDerWaalsContact CD2-O 3.27Å; L326-L380 WeakPolarHBondContact CD2-O 3.4Å; A359-L380 HydrophobicContact CB-CD1 4.17Å; A359-L380 VanDerWaalsContact O-CD1 3.32Å; A359-L380 WeakPolarHBondContact O-CD1 3.34Å; M360-L380 HydrophobicContact CG-CD2 3.94Å; H363-L380 WeakPolarHBondContact CD2-CD1 3.28Å; A377-L380 VanDerWaalsContact O-CB 3.24Å; A377-L380 WeakPolarHBondContact O-CB 3.37Å; A377-L380 PolarHBondContact O-N 2.88Å
381Q85.8Confident77.7Confident93 Ų9371.1 Ų71.144%0.43536%0.363SS..  trans-128.7136169.7-65.7-173.4-35.100109.8N325 L326 A328 R362 K379 S383N325-Q381 PolarHBondContact O-NE2 3.29Å; L326-Q381 WeakPolarHBondContact O-CA 3.13Å; A328-Q381 HydrophobicContact CB-CB 4.18Å; R362-Q381 PolarHBondContact NH2-O 3.06Å; K379-Q381 PolarHBondContact O-N 2.91Å; K379-Q381 VanDerWaalsContact O-N 3.16Å; Q381-S383 PolarHBondContact O-N 2.84Å
382V88.5Confident78.7Confident6 Ų668.5 Ų68.54%0.03635%0.354CS..BIsolated β-bridgetrans-80.7119173-173.80000108M321 L326 L327 A328 A355 Q356 A359 D386 F387M321-V382 HydrophobicContact CE-CB 3.81Å; M321-V382 HydrophobicContact CE-CG1 4.39Å; M321-V382 HydrophobicContact CE-CG2 3.3Å; L326-V382 PolarHBondContact O-N 2.64Å; L327-V382 HydrophobicContact CD1-CB 4.47Å; A328-V382 WeakPolarHBondContact CB-O 3.38Å; A328-V382 PolarHBondContact N-O 3.23Å; A355-V382 HydrophobicContact CB-CG1 4.03Å; Q356-V382 HydrophobicContact CG-CG2 4.42Å; A359-V382 HydrophobicContact CB-CB 4.36Å; A359-V382 HydrophobicContact CB-CG1 4.43Å; A359-V382 HydrophobicContact CB-CG2 3.78Å; V382-D386 HydrophobicContact CG1-CB 4.19Å; V382-F387 HydrophobicContact CG1-CD2 4.08Å; V382-F387 HydrophobicContact CG1-CE2 3.58Å; V382-F387 HydrophobicContact CG1-CZ 4.2Å
383S90.3Very high79.6Confident16 Ų1670.3 Ų70.311%0.11236%0.361CS..  trans-102.2164.8-173.960.30000112.1R362 Q381 L385 D386 F387R362-S383 PolarHBondContact NH1-OG 3.09Å; R362-S383 VanDerWaalsContact NH1-OG 3.09Å; Q381-S383 PolarHBondContact O-N 2.84Å; S383-L385 PolarHBondContact O-N 3Å; S383-D386 PolarHBondContact N-OD2 3.32Å; S383-D386 WeakPolarHBondContact O-CB 3.49Å; S383-D386 PolarHBondContact O-N 3.05Å; S383-D386 VanDerWaalsContact OG-CG 3.32Å; S383-D386 PolarHBondContact OG-OD2 3.43Å; S383-F387 PolarHBondContact O-N 3.43Å
384R90.4Very high80.2Confident89 Ų8971 Ų7134%0.33637%0.365SS..Hα-helixtrans-56.5-36.8177.2178.6174174.1-100.4-0.9112.1D330 V331 E335 D386 F387 L388D330-R384 HydrophobicContact CB-CB 4.37Å; D330-R384 PolarHBondContact OD1-N 3.35Å; D330-R384 VanDerWaalsContact OD2-CB 3.31Å; D330-R384 WeakPolarHBondContact OD2-CB 3.43Å; D330-R384 PolarHBondContact OD2-N 2.93Å; V331-R384 HydrophobicContact CG2-CB 4.49Å; E335-R384 IonicContact OE1-CZ 2.86Å; E335-R384 IonicContact OE1-NE 2.69Å; E335-R384 PolarHBondContact OE1-NE 3.49Å; E335-R384 IonicContact OE1-NH2 3Å; E335-R384 PolarHBondContact OE1-NH2 2.88Å; E335-R384 IonicContact OE2-CZ 2.79Å; E335-R384 IonicContact OE2-NE 2.72Å; E335-R384 PolarHBondContact OE2-NE 3.45Å; E335-R384 IonicContact OE2-NH2 3.9Å; R384-D386 VanDerWaalsContact C-N 3.29Å; R384-D386 PolarHBondContact O-N 3.24Å; R384-F387 PolarHBondContact O-N 3.44Å; R384-L388 HydrophobicContact CG-CD1 4.17Å; R384-L388 WeakPolarHBondContact O-CG 3.48Å; R384-L388 PolarHBondContact O-N 3.05Å; R384-L388 VanDerWaalsContact O-N 3.08Å
385L89.3Confident80.7Confident123 Ų12366.6 Ų66.664%0.64434%0.342SS*.Hα-helixtrans-62.5-34.6178.2-67.6174.5000112.7S383 L388 A389S383-L385 PolarHBondContact O-N 3Å; L385-L388 PolarHBondContact O-N 3.48Å; L385-A389 VanDerWaalsContact O-CB 3.27Å; L385-A389 WeakPolarHBondContact O-CB 3.29Å; L385-A389 PolarHBondContact O-N 3.45Å
386D90.1Very high81.2Confident5 Ų563.7 Ų63.73%0.02733%0.327CS..Hα-helixtrans-68.9-39179.5-54.7-50.9000110.7A355 T358 R362 V382 S383 R384 S390A355-D386 HydrophobicContact CB-CB 4.42Å; T358-D386 HydrophobicContact CG2-CB 4.44Å; R362-D386 IonicContact CZ-OD1 2.82Å; R362-D386 IonicContact CZ-OD2 3.22Å; R362-D386 VanDerWaalsContact CZ-OD2 3.25Å; R362-D386 IonicContact NE-OD1 3.29Å; R362-D386 PolarHBondContact NE-OD1 2.7Å; R362-D386 IonicContact NE-OD2 3.76Å; R362-D386 IonicContact NH1-OD1 3.75Å; R362-D386 PolarHBondContact NH1-OD1 3.2Å; R362-D386 IonicContact NH1-OD2 3.76Å; R362-D386 PolarHBondContact NH1-OD2 3.37Å; R362-D386 IonicContact NH2-OD1 3.88Å; R362-D386 IonicContact NH2-OD2 2.7Å; R362-D386 PolarHBondContact NH2-OD2 3.26Å; V382-D386 HydrophobicContact CG1-CB 4.19Å; S383-D386 PolarHBondContact N-OD2 3.32Å; S383-D386 WeakPolarHBondContact O-CB 3.49Å; S383-D386 PolarHBondContact O-N 3.05Å; S383-D386 VanDerWaalsContact OG-CG 3.32Å; S383-D386 PolarHBondContact OG-OD2 3.43Å; R384-D386 VanDerWaalsContact C-N 3.29Å; R384-D386 PolarHBondContact O-N 3.24Å; D386-S390 WeakPolarHBondContact O-CB 3.49Å; D386-S390 PolarHBondContact O-N 3.32Å; D386-S390 PolarHBondContact O-OG 3.01Å
387F89.3Confident81.5Confident1 Ų162.5 Ų62.50%0.00432%0.32CS..Hα-helixtrans-65.1-44.5174.2-79.2-79000112.4L327 V331 L336 L351 V352 A355 V382 S383 R384 S390 L391L327-F387 HydrophobicContact CD1-CE2 4Å; L327-F387 HydrophobicContact CD1-CZ 4.43Å; V331-F387 HydrophobicContact CG1-CD2 4.03Å; V331-F387 HydrophobicContact CG1-CE2 3.89Å; V331-F387 HydrophobicContact CG2-CD2 4.15Å; V331-F387 HydrophobicContact CG2-CE2 4.14Å; L336-F387 HydrophobicContact CD1-CB 4.34Å; L336-F387 HydrophobicContact CD1-CD1 3.86Å; L336-F387 HydrophobicContact CD1-CD2 4.29Å; L336-F387 HydrophobicContact CD1-CE1 4.19Å; L336-F387 HydrophobicContact CD1-CG 3.91Å; L336-F387 HydrophobicContact CD2-CB 3.82Å; L336-F387 HydrophobicContact CD2-CG 4.29Å; L351-F387 HydrophobicContact CG-CD1 4.32Å; V352-F387 HydrophobicContact CG2-CE1 4.12Å; A355-F387 HydrophobicContact CB-CD1 3.66Å; A355-F387 HydrophobicContact CB-CD2 4.22Å; A355-F387 HydrophobicContact CB-CE1 3.76Å; A355-F387 HydrophobicContact CB-CE2 4.3Å; A355-F387 HydrophobicContact CB-CG 3.9Å; A355-F387 HydrophobicContact CB-CZ 4.08Å; V382-F387 HydrophobicContact CG1-CD2 4.08Å; V382-F387 HydrophobicContact CG1-CE2 3.58Å; V382-F387 HydrophobicContact CG1-CZ 4.2Å; S383-F387 PolarHBondContact O-N 3.43Å; R384-F387 PolarHBondContact O-N 3.44Å; F387-S390 PolarHBondContact O-N 3.3Å; F387-L391 WeakPolarHBondContact O-CB 3.46Å; F387-L391 PolarHBondContact O-N 3.03Å
388L87.5Confident81.5Confident48 Ų4864.2 Ų64.225%0.25133%0.334SS..Hα-helixtrans-66.8-38.9178.3-68175.8000111.9R384 L385 L391 N392R384-L388 HydrophobicContact CG-CD1 4.17Å; R384-L388 WeakPolarHBondContact O-CG 3.48Å; R384-L388 PolarHBondContact O-N 3.05Å; R384-L388 VanDerWaalsContact O-N 3.08Å; L385-L388 PolarHBondContact O-N 3.48Å; L388-L391 PolarHBondContact O-N 2.91Å; L388-N392 PolarHBondContact O-N 3.47Å; L388-N392 VanDerWaalsContact O-N 3.15Å; L388-N392 PolarHBondContact O-ND2 3.48Å
389A86.6Confident81.2Confident40 Ų4058.7 Ų58.733%0.33131%0.307SS..Hα-helixtrans-62-45.2174.900000111.5L385 N392 N393L385-A389 VanDerWaalsContact O-CB 3.27Å; L385-A389 WeakPolarHBondContact O-CB 3.29Å; L385-A389 PolarHBondContact O-N 3.45Å; A389-N392 PolarHBondContact O-N 3.11Å; A389-N393 WeakPolarHBondContact O-CB 3.5Å; A389-N393 PolarHBondContact O-N 3.13Å
390S87.3Confident80.6Confident0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-70.7-30.2178.8-72.70000113.7A354 A355 T358 D386 F387 D394 I395A354-S390 VanDerWaalsContact C-OG 3.26Å; A354-S390 WeakPolarHBondContact CB-OG 3.45Å; A354-S390 PolarHBondContact O-OG 2.92Å; A355-S390 PolarHBondContact N-OG 2.99Å; T358-S390 PolarHBondContact OG1-OG 3.49Å; D386-S390 WeakPolarHBondContact O-CB 3.49Å; D386-S390 PolarHBondContact O-N 3.32Å; D386-S390 PolarHBondContact O-OG 3.01Å; F387-S390 PolarHBondContact O-N 3.3Å; S390-D394 WeakPolarHBondContact CA-OD2 3.24Å; S390-D394 WeakPolarHBondContact CB-OD2 3.5Å; S390-D394 PolarHBondContact O-N 3.5Å; S390-D394 VanDerWaalsContact O-N 3.08Å; S390-D394 PolarHBondContact OG-OD2 3.37Å; S390-I395 PolarHBondContact O-N 2.67Å; S390-I395 VanDerWaalsContact O-N 3.11Å
391L83.8Confident79.5Confident31 Ų3151.5 Ų51.516%0.16228%0.279CS..Hα-helixtrans-63.3-42.9172.3-168.481.1000111.4E339 T340 Y343 L351 F387 L388E339-L391 HydrophobicContact CB-CD2 4.18Å; T340-L391 HydrophobicContact CG2-CD1 3.73Å; Y343-L391 HydrophobicContact CE1-CD1 4.33Å; Y343-L391 HydrophobicContact CE2-CD1 4.4Å; Y343-L391 WeakPolarHBondContact OH-CD1 3.36Å; L351-L391 HydrophobicContact CD1-CB 4.23Å; L351-L391 HydrophobicContact CD1-CD1 4.19Å; L351-L391 HydrophobicContact CD2-CD1 4.21Å; F387-L391 WeakPolarHBondContact O-CB 3.46Å; F387-L391 PolarHBondContact O-N 3.03Å; L388-L391 PolarHBondContact O-N 2.91Å
392N80.6Confident78.4Confident98 Ų9849 Ų4952%0.52427%0.269SS..Hα-helixtrans-77.9-37.3-176.2-68.8-15.4000112.9L388 A389L388-N392 PolarHBondContact O-N 3.47Å; L388-N392 VanDerWaalsContact O-N 3.15Å; L388-N392 PolarHBondContact O-ND2 3.48Å; A389-N392 PolarHBondContact O-N 3.11Å
393N77.7Confident77.2Confident127 Ų12755.8 Ų55.868%0.67930%0.3SS*.Hα-helixtrans-110-38.7-167.5-68.917.3000114.3A389A389-N393 WeakPolarHBondContact O-CB 3.5Å; A389-N393 PolarHBondContact O-N 3.13Å
394D76.3Confident76Confident89 Ų8960.6 Ų60.648%0.47632%0.321SS..THydrogen-bonded Turntrans-97.2-45.1-164.6-60.2-34.3000112.5A354 S390A354-D394 HydrophobicContact CB-CB 4.05Å; S390-D394 WeakPolarHBondContact CA-OD2 3.24Å; S390-D394 WeakPolarHBondContact CB-OD2 3.5Å; S390-D394 PolarHBondContact O-N 3.5Å; S390-D394 VanDerWaalsContact O-N 3.08Å; S390-D394 PolarHBondContact OG-OD2 3.37Å
395I79.1Confident75Confident31 Ų3158.2 Ų58.216%0.15932%0.315CS..  trans-123.7103.8-168.1-65168.7000110.8Y343 G350 L351 A354 S390Y343-I395 HydrophobicContact CE1-CG2 3.84Å; Y343-I395 PolarHBondContact OH-O 2.89Å; G350-I395 WeakPolarHBondContact O-CD1 3.39Å; L351-I395 VanDerWaalsContact CA-CD1 3.46Å; L351-I395 HydrophobicContact CB-CD1 4.44Å; A354-I395 HydrophobicContact CB-CD1 3.52Å; A354-I395 HydrophobicContact CB-CG1 4.27Å; S390-I395 PolarHBondContact O-N 2.67Å; S390-I395 VanDerWaalsContact O-N 3.11Å
396K72.8Confident74.3Confident90 Ų9053.3 Ų53.339%0.39129%0.288SS..  trans-89.6138.5172.1-62.6175.9-179.9174.10109.5A398 E404K396-A398 PolarHBondContact O-N 2.98Å; K396-E404 WeakPolarHBondContact CE-OE1 3.33Å; K396-E404 IonicContact NZ-OE1 2.67Å; K396-E404 PolarHBondContact NZ-OE1 3.48Å; K396-E404 IonicContact NZ-OE2 2.92Å; K396-E404 PolarHBondContact NZ-OE2 2.96Å
397P70.6Confident73.7Confident23 Ų2356 Ų5615%0.14931%0.311CS..  trans-67127.6174.727.7-32000109.8Y343 Y399Y343-P397 HydrophobicContact CD2-CB 4.08Å; Y343-P397 HydrophobicContact CE2-CB 3.81Å; Y343-P397 HydrophobicContact CE2-CG 3.98Å; P397-Y399 VanDerWaalsContact C-N 3.25Å; P397-Y399 PolarHBondContact O-N 3.36Å
398A65.1Low73.2Confident80 Ų8059.1 Ų59.166%0.66133%0.333SS*.SBendtrans-67.6-31.1172.800000111.2E347 K396E347-A398 WeakPolarHBondContact OE1-CA 3.49Å; E347-A398 WeakPolarHBondContact OE1-CB 3.26Å; E347-A398 PolarHBondContact OE1-N 3.15Å; K396-A398 PolarHBondContact O-N 2.98Å
399Y61.3Low73Confident44 Ų4458.8 Ų58.817%0.17333%0.329CS..SBendtrans-105.5103.1173.3-77.4-78.9000110.9P168 P169 N342 P397P168-Y399 HydrophobicContact CB-CD2 4.37Å; P168-Y399 HydrophobicContact CB-CE1 4.41Å; P168-Y399 HydrophobicContact CB-CE2 3.59Å; P169-Y399 WeakPolarHBondContact CD-OH 3.4Å; P169-Y399 HydrophobicContact CG-CE2 4.08Å; N342-Y399 WeakPolarHBondContact CB-O 3.44Å; P397-Y399 VanDerWaalsContact C-N 3.25Å; P397-Y399 PolarHBondContact O-N 3.36Å
400G59.5Low72.9Confident5 Ų558.2 Ų58.25%0.05232%0.32CS..SBendtrans132.4-151.3166.700000115.8N402G400-N402 PolarHBondContact O-N 3.34Å; G400-N402 VanDerWaalsContact O-N 3.11Å
401T56.8Low72.4Confident42 Ų4265.7 Ų65.726%0.25836%0.356SS..  trans-61.593.9-175.919.40000111.5Q403 Y406 I472T401-Q403 PolarHBondContact O-N 3.22Å; T401-Q403 VanDerWaalsContact O-N 3.15Å; T401-Y406 HydrophobicContact CG2-CE1 4.48Å; T401-Y406 HydrophobicContact CG2-CE2 3.6Å; T401-Y406 VanDerWaalsContact CG2-CZ 3.47Å; T401-Y406 WeakPolarHBondContact CG2-OH 3.26Å; T401-I472 HydrophobicContact CG2-CB 3.85Å; T401-I472 HydrophobicContact CG2-CD1 3.83Å; T401-I472 HydrophobicContact CG2-CG1 4.26Å
402N63.2Low72Confident41 Ų4168.4 Ų68.422%0.21937%0.371CS..  trans-76.997.9167.1-153.827.4000107.9G400 E404 D405 Y406G400-N402 PolarHBondContact O-N 3.34Å; G400-N402 VanDerWaalsContact O-N 3.11Å; N402-E404 PolarHBondContact O-N 3.41Å; N402-E404 VanDerWaalsContact O-N 3.11Å; N402-D405 HydrophobicContact CB-CB 4.15Å; N402-D405 PolarHBondContact ND2-OD1 3.04Å; N402-D405 WeakPolarHBondContact O-CA 3.01Å; N402-D405 WeakPolarHBondContact O-CB 3.49Å; N402-D405 PolarHBondContact O-N 3.15Å; N402-Y406 WeakPolarHBondContact O-CD2 3.31Å; N402-Y406 WeakPolarHBondContact O-CE2 3.5Å
403Q64.6Low72Confident148 Ų14870.7 Ų70.769%0.69238%0.384SS*.Hα-helixtrans-50.4-36-175.9-98.2175.7-10.700113.1T401 D405 Y406 A407T401-Q403 PolarHBondContact O-N 3.22Å; T401-Q403 VanDerWaalsContact O-N 3.15Å; Q403-D405 VanDerWaalsContact C-N 3.34Å; Q403-D405 PolarHBondContact O-N 3.39Å; Q403-Y406 WeakPolarHBondContact O-CB 3.49Å; Q403-Y406 PolarHBondContact O-N 3.42Å; Q403-Y406 VanDerWaalsContact O-N 3.16Å; Q403-A407 PolarHBondContact O-N 3.11Å
404E64.4Low72.4Confident117 Ų11766.7 Ų66.755%0.54736%0.362SS..Hα-helixtrans-64.2-34.5175.1-70.1178.6177.400113.7K396 N402 Y406 A407 S408K396-E404 WeakPolarHBondContact CE-OE1 3.33Å; K396-E404 IonicContact NZ-OE1 2.67Å; K396-E404 PolarHBondContact NZ-OE1 3.48Å; K396-E404 IonicContact NZ-OE2 2.92Å; K396-E404 PolarHBondContact NZ-OE2 2.96Å; N402-E404 PolarHBondContact O-N 3.41Å; N402-E404 VanDerWaalsContact O-N 3.11Å; E404-Y406 VanDerWaalsContact C-N 3.26Å; E404-Y406 PolarHBondContact O-N 3.48Å; E404-A407 PolarHBondContact O-N 3.18Å; E404-S408 PolarHBondContact O-N 3.13Å
405D68.8Low72.9Confident40 Ų4063.6 Ų63.621%0.21435%0.345CS..Hα-helixtrans-62.9-38.4175.2-71.818.3000109.4N402 Q403 S408 Y409 K479N402-D405 HydrophobicContact CB-CB 4.15Å; N402-D405 PolarHBondContact ND2-OD1 3.04Å; N402-D405 WeakPolarHBondContact O-CA 3.01Å; N402-D405 WeakPolarHBondContact O-CB 3.49Å; N402-D405 PolarHBondContact O-N 3.15Å; Q403-D405 VanDerWaalsContact C-N 3.34Å; Q403-D405 PolarHBondContact O-N 3.39Å; D405-S408 WeakPolarHBondContact O-CB 3.34Å; D405-S408 PolarHBondContact O-N 2.82Å; D405-S408 PolarHBondContact O-OG 2.78Å; D405-Y409 WeakPolarHBondContact O-CD2 3.48Å; D405-Y409 WeakPolarHBondContact O-CE2 3.39Å; D405-K479 IonicContact OD2-NZ 3.33Å; D405-K479 PolarHBondContact OD2-NZ 3.34Å
406Y74.6Confident73.3Confident19 Ų1969.4 Ų69.48%0.07537%0.365CS..Hα-helixtrans-65.9-45179.1-62.1-90000112.1T401 N402 Q403 E404 S408 Y409 I410 V461 I472 I474T401-Y406 HydrophobicContact CG2-CE1 4.48Å; T401-Y406 HydrophobicContact CG2-CE2 3.6Å; T401-Y406 VanDerWaalsContact CG2-CZ 3.47Å; T401-Y406 WeakPolarHBondContact CG2-OH 3.26Å; N402-Y406 WeakPolarHBondContact O-CD2 3.31Å; N402-Y406 WeakPolarHBondContact O-CE2 3.5Å; Q403-Y406 WeakPolarHBondContact O-CB 3.49Å; Q403-Y406 PolarHBondContact O-N 3.42Å; Q403-Y406 VanDerWaalsContact O-N 3.16Å; E404-Y406 VanDerWaalsContact C-N 3.26Å; E404-Y406 PolarHBondContact O-N 3.48Å; Y406-S408 PolarHBondContact O-N 2.76Å; Y406-Y409 PolarHBondContact O-N 3.24Å; Y406-I410 PolarHBondContact O-N 2.88Å; Y406-V461 HydrophobicContact CD1-CG1 3.51Å; Y406-V461 HydrophobicContact CE1-CG1 4.24Å; Y406-V461 HydrophobicContact CG-CG1 4.43Å; Y406-I472 HydrophobicContact CE1-CG2 3.95Å; Y406-I472 VanDerWaalsContact OH-CB 3.28Å; Y406-I472 WeakPolarHBondContact OH-CB 3.38Å; Y406-I472 VanDerWaalsContact OH-CG2 3.26Å; Y406-I472 WeakPolarHBondContact OH-CG2 3.31Å; Y406-I472 PolarHBondContact OH-O 2.88Å; Y406-I472 VanDerWaalsContact OH-O 3.1Å; Y406-I474 HydrophobicContact CD1-CD1 4.25Å; Y406-I474 HydrophobicContact CE1-CD1 4.09Å
407A77.1Confident73.9Confident63 Ų6365.6 Ų65.652%0.52135%0.348SS..Hα-helixtrans-58.9-29.3177.600000112.1Q403 E404 Y409 I410Q403-A407 PolarHBondContact O-N 3.11Å; E404-A407 PolarHBondContact O-N 3.18Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; A407-Y409 PolarHBondContact O-N 3.07Å; A407-I410 CarbonylContact O-C 3.57Å; A407-I410 VanDerWaalsContact O-O 3.09Å
408S80.5Confident74.6Confident66 Ų6664.8 Ų64.846%0.46234%0.343SS..Hα-helixtrans-68.8-30.6174.879.80000113.7E404 D405 Y406E404-S408 PolarHBondContact O-N 3.13Å; D405-S408 WeakPolarHBondContact O-CB 3.34Å; D405-S408 PolarHBondContact O-N 2.82Å; D405-S408 PolarHBondContact O-OG 2.78Å; Y406-S408 PolarHBondContact O-N 2.76Å
409Y82.4Confident75.7Confident41 Ų4167.7 Ų67.716%0.16135%0.348CS..Hα-helixtrans-87.2-30.3178.4-66.3-71.9000112.8D405 Y406 A407 T457 V461 I474 S476D405-Y409 WeakPolarHBondContact O-CD2 3.48Å; D405-Y409 WeakPolarHBondContact O-CE2 3.39Å; Y406-Y409 PolarHBondContact O-N 3.24Å; A407-Y409 VanDerWaalsContact C-N 3.34Å; A407-Y409 PolarHBondContact O-N 3.07Å; Y409-T457 HydrophobicContact CD1-CG2 3.87Å; Y409-V461 HydrophobicContact CG-CG2 4.33Å; Y409-I474 HydrophobicContact CD2-CD1 3.45Å; Y409-I474 VanDerWaalsContact CD2-CD1 3.45Å; Y409-I474 HydrophobicContact CE2-CB 4.32Å; Y409-I474 HydrophobicContact CE2-CD1 3.57Å; Y409-I474 HydrophobicContact CE2-CG2 4.05Å; Y409-I474 HydrophobicContact CG-CD1 4.35Å; Y409-S476 WeakPolarHBondContact OH-CB 3.47Å
410I83.6Confident77.1Confident28 Ų2867.4 Ų67.414%0.14435%0.352CS..  trans-108.978.7175.7-54.2176.4000107.9Y406 A407 N412 A458 V461 K462Y406-I410 PolarHBondContact O-N 2.88Å; A407-I410 CarbonylContact O-C 3.57Å; A407-I410 VanDerWaalsContact O-O 3.09Å; I410-N412 WeakPolarHBondContact CG2-O 3.49Å; I410-A458 HydrophobicContact CG1-CB 4.5Å; I410-V461 HydrophobicContact CD1-CB 4.34Å; I410-V461 HydrophobicContact CD1-CG1 3.89Å; I410-V461 HydrophobicContact CG1-CB 4.48Å; I410-V461 HydrophobicContact CG1-CG1 4.18Å; I410-K462 HydrophobicContact CD1-CB 4.39Å
411M76.7Confident78.5Confident156 Ų15667.4 Ų67.477%0.76835%0.351SS*.SBendtrans-70.2-36.4177.7-64.9-179.4-166.500112.2
412N77Confident80.1Confident89 Ų8966.8 Ų66.848%0.47635%0.348SS..SBendtrans-120144.1174.5-63.2-32.8000107.2I410 L618I410-N412 WeakPolarHBondContact CG2-O 3.49Å; N412-L618 WeakPolarHBondContact ND2-CD1 3.26Å
413D80.6Confident81.5Confident146 Ų14666.8 Ų66.878%0.78135%0.353SS*.  trans-51.5154.7174.2-79.2-37.5000112I415D413-I415 PolarHBondContact O-N 3.28Å; D413-I415 VanDerWaalsContact O-N 3.08Å
414I86.2Confident82.8Confident42 Ų4259.9 Ų59.922%0.21532%0.322CS..  trans-69.7109.9-179.7-62.7-76.2000109.7R416 V421 L425 A458 K462I414-R416 PolarHBondContact O-N 2.99Å; I414-V421 HydrophobicContact CG2-CG1 4.31Å; I414-L425 HydrophobicContact CG2-CD1 4.46Å; I414-A458 HydrophobicContact CD1-CB 3.84Å; I414-K462 HydrophobicContact CD1-CB 4.18Å; I414-K462 HydrophobicContact CG1-CB 3.92Å; I414-K462 HydrophobicContact CG1-CD 4.33Å; I414-K462 HydrophobicContact CG1-CG 3.9Å
415I86.4Confident84.1Confident25 Ų2555.3 Ų55.313%0.12830%0.301CS..  trans-81.3117.4-179.5-54.5148.7000109.2D413 W417 L589 L590 I614D413-I415 PolarHBondContact O-N 3.28Å; D413-I415 VanDerWaalsContact O-N 3.08Å; I415-W417 VanDerWaalsContact C-N 3.25Å; I415-W417 HydrophobicContact CG2-CB 4.22Å; I415-W417 VanDerWaalsContact O-CD1 3.25Å; I415-W417 PolarHBondContact O-N 3.44Å; I415-L589 HydrophobicContact CG2-CB 3.79Å; I415-L589 HydrophobicContact CG2-CD1 3.63Å; I415-L589 HydrophobicContact CG2-CG 4.38Å; I415-L590 HydrophobicContact CD1-CD1 4.21Å; I415-L590 HydrophobicContact CD1-CD2 3.47Å; I415-L590 VanDerWaalsContact CD1-CD2 3.47Å; I415-L590 HydrophobicContact CD1-CG 3.89Å; I415-L590 HydrophobicContact CG1-CD2 4.2Å; I415-I614 HydrophobicContact CD1-CD1 4.08Å; I415-I614 HydrophobicContact CD1-CG1 4.25Å
416R86.5Confident85.3Confident153 Ų15359.3 Ų59.358%0.57732%0.318SS*.  trans-8368.8174.2-61.9-175.4-177-170.2-1.2110.8I414 G418 L589I414-R416 PolarHBondContact O-N 2.99Å; R416-G418 PolarHBondContact O-N 2.91Å; R416-L589 WeakPolarHBondContact O-CD1 3.49Å
417W86.3Confident86.2Confident10 Ų1061.9 Ų61.94%0.03833%0.333CS..  trans-73.6-8.9-176.555.4-98.1000114.6I415 V421 I577 E582 Q585 A586I415-W417 VanDerWaalsContact C-N 3.25Å; I415-W417 HydrophobicContact CG2-CB 4.22Å; I415-W417 VanDerWaalsContact O-CD1 3.25Å; I415-W417 PolarHBondContact O-N 3.44Å; W417-V421 HydrophobicContact CD2-CG2 4.11Å; W417-V421 HydrophobicContact CG-CG2 4.37Å; W417-V421 HydrophobicContact CZ2-CG2 3.86Å; W417-I577 HydrophobicContact CD2-CD1 4.28Å; W417-I577 HydrophobicContact CD2-CG1 3.81Å; W417-I577 HydrophobicContact CE3-CG1 3.75Å; W417-I577 HydrophobicContact CH2-CB 4.46Å; W417-I577 HydrophobicContact CH2-CG1 3.8Å; W417-I577 HydrophobicContact CZ2-CG1 3.88Å; W417-I577 HydrophobicContact CZ3-CB 4.28Å; W417-I577 HydrophobicContact CZ3-CG1 3.74Å; W417-E582 HydrophobicContact CE3-CB 3.9Å; W417-E582 HydrophobicContact CE3-CG 4.24Å; W417-E582 HydrophobicContact CZ3-CB 4.13Å; W417-E582 HydrophobicContact CZ3-CG 4.21Å; W417-Q585 PolarHBondContact O-OE1 3.27Å; W417-A586 HydrophobicContact CB-CB 3.58Å; W417-A586 HydrophobicContact CG-CB 4.42Å
418G85.8Confident87Confident5 Ų559 Ų595%0.05231%0.309CS..SBendtrans-174.4177.217700000113.8R416 V421R416-G418 PolarHBondContact O-N 2.91Å; G418-V421 PolarHBondContact O-N 3.25Å
419N88.1Confident87.6Confident141 Ų14161.4 Ų61.475%0.75431%0.314SS*.Hα-helixtrans-56.7-37.6177.3-66-10.3000114V421 S422 A423N419-V421 VanDerWaalsContact C-N 3.29Å; N419-V421 PolarHBondContact O-N 3.29Å; N419-S422 PolarHBondContact O-N 3.03Å; N419-A423 WeakPolarHBondContact O-CB 3.5Å; N419-A423 PolarHBondContact O-N 3.02Å
420P89.2Confident88.1Confident39 Ų3964.5 Ų64.525%0.25333%0.332SS..Hα-helixtrans-59.9-36.3-179-25.735.1000114A424 P575P420-A424 WeakPolarHBondContact O-CB 3.23Å; P420-A424 PolarHBondContact O-N 3.22Å; P420-P575 HydrophobicContact CB-CG 3.61Å; P420-P575 HydrophobicContact CG-CG 3.92Å
421V89.1Confident88.6Confident5 Ų564.1 Ų64.13%0.0333%0.33CS..Hα-helixtrans-71-42178.3-179.90000110.7I414 W417 G418 N419 A424 L425 L459I414-V421 HydrophobicContact CG2-CG1 4.31Å; W417-V421 HydrophobicContact CD2-CG2 4.11Å; W417-V421 HydrophobicContact CG-CG2 4.37Å; W417-V421 HydrophobicContact CZ2-CG2 3.86Å; G418-V421 PolarHBondContact O-N 3.25Å; N419-V421 VanDerWaalsContact C-N 3.29Å; N419-V421 PolarHBondContact O-N 3.29Å; V421-A424 PolarHBondContact O-N 2.98Å; V421-L425 HydrophobicContact CG1-CD1 4.37Å; V421-L425 WeakPolarHBondContact O-CG 3.48Å; V421-L425 PolarHBondContact O-N 3.19Å; V421-L425 VanDerWaalsContact O-N 3.08Å; V421-L459 HydrophobicContact CG1-CD2 4.25Å
422S90.9Very high89.4Confident28 Ų2857.3 Ų57.320%0.19630%0.298CS..Hα-helixtrans-66-44.4178.5-550000111N419 A424 L425 E426N419-S422 PolarHBondContact O-N 3.03Å; S422-A424 PolarHBondContact O-N 3.38Å; S422-L425 PolarHBondContact O-N 3.22Å; S422-E426 WeakPolarHBondContact O-CG 3.3Å; S422-E426 PolarHBondContact O-N 3.42Å
423A92.9Very high90.1Very high41 Ų4157.1 Ų57.134%0.33929%0.294SS..Hα-helixtrans-60.3-43174.800000112N419 L425 E426 D427N419-A423 WeakPolarHBondContact O-CB 3.5Å; N419-A423 PolarHBondContact O-N 3.02Å; A423-L425 VanDerWaalsContact C-N 3.32Å; A423-L425 PolarHBondContact O-N 3.09Å; A423-E426 PolarHBondContact O-N 2.88Å; A423-D427 WeakPolarHBondContact O-CB 3.23Å; A423-D427 VanDerWaalsContact O-CG 3.31Å; A423-D427 PolarHBondContact O-N 3.28Å
424A91.8Very high90.7Very high3 Ų354.2 Ų54.23%0.02528%0.276CS..Hα-helixtrans-64.2-35.3177.300000113.1P420 V421 S422 G428 I572P420-A424 WeakPolarHBondContact O-CB 3.23Å; P420-A424 PolarHBondContact O-N 3.22Å; V421-A424 PolarHBondContact O-N 2.98Å; S422-A424 PolarHBondContact O-N 3.38Å; A424-G428 PolarHBondContact O-N 3.34Å; A424-I572 HydrophobicContact CB-CG2 3.91Å
425L91.9Very high90.9Very high21 Ų2152.2 Ų52.211%0.1127%0.266CS..Hα-helixtrans-71.5-41.8174.3-72.1171.8000111.7I414 V421 S422 A423 G428 E429 L459 K462 I463I414-L425 HydrophobicContact CG2-CD1 4.46Å; V421-L425 HydrophobicContact CG1-CD1 4.37Å; V421-L425 WeakPolarHBondContact O-CG 3.48Å; V421-L425 PolarHBondContact O-N 3.19Å; V421-L425 VanDerWaalsContact O-N 3.08Å; S422-L425 PolarHBondContact O-N 3.22Å; A423-L425 VanDerWaalsContact C-N 3.32Å; A423-L425 PolarHBondContact O-N 3.09Å; L425-G428 PolarHBondContact O-N 2.83Å; L425-E429 PolarHBondContact O-N 3.17Å; L425-L459 HydrophobicContact CD2-CD2 3.69Å; L425-L459 HydrophobicContact CG-CD2 3.9Å; L425-K462 HydrophobicContact CD2-CG 4.25Å; L425-I463 HydrophobicContact CD2-CG1 3.98Å
426E93.8Very high91.1Very high124 Ų12456.3 Ų56.358%0.57928%0.282SS*.Hα-helixtrans-61.8-46.6175.2-73.5171-163.400111.3S422 A423 G428 E429 L430S422-E426 WeakPolarHBondContact O-CG 3.3Å; S422-E426 PolarHBondContact O-N 3.42Å; A423-E426 PolarHBondContact O-N 2.88Å; E426-G428 VanDerWaalsContact C-N 3.3Å; E426-G428 PolarHBondContact O-N 3.08Å; E426-E429 PolarHBondContact O-N 3.36Å; E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.05Å
427D93.9Very high91.3Very high73 Ų7354.9 Ų54.939%0.3929%0.286SS..Hα-helixtrans-60.8-41.3173.9-74-21.4000111.2A423 L430 L431 I572A423-D427 WeakPolarHBondContact O-CB 3.23Å; A423-D427 VanDerWaalsContact O-CG 3.31Å; A423-D427 PolarHBondContact O-N 3.28Å; D427-L430 PolarHBondContact O-N 3.35Å; D427-L431 VanDerWaalsContact O-CD1 3.29Å; D427-L431 WeakPolarHBondContact O-CD1 3.47Å; D427-L431 VanDerWaalsContact O-CG 3.27Å; D427-L431 WeakPolarHBondContact O-CG 3.47Å; D427-L431 PolarHBondContact O-N 2.81Å; D427-L431 VanDerWaalsContact O-N 3.07Å; D427-I572 HydrophobicContact CB-CD1 3.86Å; D427-I572 HydrophobicContact CB-CG1 4.47Å
428G92.5Very high91.4Very high2 Ų255.9 Ų55.92%0.02129%0.294CS..Hα-helixtrans-58.6-45.3173.600000112.6A424 L425 E426 L431 V432A424-G428 PolarHBondContact O-N 3.34Å; L425-G428 PolarHBondContact O-N 2.83Å; E426-G428 VanDerWaalsContact C-N 3.3Å; E426-G428 PolarHBondContact O-N 3.08Å; G428-L431 PolarHBondContact O-N 2.99Å; G428-V432 WeakPolarHBondContact O-CG2 3.48Å; G428-V432 PolarHBondContact O-N 3.34Å
429E93.4Very high91.3Very high117 Ų11762 Ų6255%0.54733%0.326SS..Hα-helixtrans-63.8-42.1177.2-172.1176.7173.900111.7L425 E426 L431 V432 Q433L425-E429 PolarHBondContact O-N 3.17Å; E426-E429 PolarHBondContact O-N 3.36Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.69Å; E429-V432 WeakPolarHBondContact O-CB 3.45Å; E429-V432 PolarHBondContact O-N 3.23Å; E429-Q433 WeakPolarHBondContact O-CG 3Å; E429-Q433 PolarHBondContact O-N 3.22Å; E429-Q433 PolarHBondContact OE1-NE2 3.12Å
430L93.9Very high91.2Very high106 Ų10666.5 Ų66.556%0.55533%0.333SS*.Hα-helixtrans-59.3-40175.4-69.9173.4000111.9E426 D427 Q433 Q434E426-L430 WeakPolarHBondContact O-CG 3.41Å; E426-L430 PolarHBondContact O-N 3.05Å; D427-L430 PolarHBondContact O-N 3.35Å; L430-Q433 PolarHBondContact O-N 3.03Å; L430-Q434 WeakPolarHBondContact O-CB 3.46Å; L430-Q434 PolarHBondContact O-N 3.06Å
431L93.2Very high91.1Very high20 Ų2067 Ų6711%0.10534%0.335CS..Hα-helixtrans-70.8-36.7178.4-69.6158.5000112.5D427 G428 E429 Q434 T435 V444 V446 T570 I572D427-L431 VanDerWaalsContact O-CD1 3.29Å; D427-L431 WeakPolarHBondContact O-CD1 3.47Å; D427-L431 VanDerWaalsContact O-CG 3.27Å; D427-L431 WeakPolarHBondContact O-CG 3.47Å; D427-L431 PolarHBondContact O-N 2.81Å; D427-L431 VanDerWaalsContact O-N 3.07Å; G428-L431 PolarHBondContact O-N 2.99Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.69Å; L431-Q434 PolarHBondContact O-N 2.84Å; L431-T435 PolarHBondContact O-N 3.47Å; L431-T435 PolarHBondContact O-OG1 3.16Å; L431-V444 HydrophobicContact CD2-CG1 3.98Å; L431-V446 HydrophobicContact CB-CG2 4.27Å; L431-V446 HydrophobicContact CD1-CB 4.47Å; L431-V446 HydrophobicContact CD1-CG1 3.96Å; L431-V446 HydrophobicContact CD1-CG2 3.65Å; L431-V446 HydrophobicContact CD2-CG2 4.15Å; L431-V446 HydrophobicContact CG-CG2 4.23Å; L431-T570 HydrophobicContact CD1-CG2 3.83Å; L431-T570 HydrophobicContact CD2-CG2 3.76Å; L431-T570 HydrophobicContact CG-CG2 4.47Å; L431-I572 HydrophobicContact CD1-CD1 3.81Å
432V93.7Very high91.1Very high13 Ų1368.9 Ų68.98%0.07935%0.347CS..Hα-helixtrans-61.4-47.9170.6166.40000110.4G428 E429 Q434 T435 K436 I463 F469 L548G428-V432 WeakPolarHBondContact O-CG2 3.48Å; G428-V432 PolarHBondContact O-N 3.34Å; E429-V432 WeakPolarHBondContact O-CB 3.45Å; E429-V432 PolarHBondContact O-N 3.23Å; V432-Q434 VanDerWaalsContact C-N 3.34Å; V432-Q434 PolarHBondContact O-N 2.85Å; V432-T435 PolarHBondContact O-N 2.99Å; V432-K436 PolarHBondContact O-N 3.18Å; V432-I463 HydrophobicContact CG2-CG2 4.16Å; V432-F469 HydrophobicContact CG1-CE1 3.85Å; V432-F469 HydrophobicContact CG1-CZ 3.87Å; V432-L548 HydrophobicContact CG2-CD2 3.74Å
433Q92.6Very high91.2Very high86 Ų8668.9 Ų68.940%0.40235%0.345SS..Hα-helixtrans-63.5-39.4177.9-70.7-176.710.800111.9E429 L430 T435 K436 N437E429-Q433 WeakPolarHBondContact O-CG 3Å; E429-Q433 PolarHBondContact O-N 3.22Å; E429-Q433 PolarHBondContact OE1-NE2 3.12Å; L430-Q433 PolarHBondContact O-N 3.03Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 3.06Å; Q433-K436 PolarHBondContact O-N 3.22Å; Q433-N437 WeakPolarHBondContact O-CB 3.4Å; Q433-N437 PolarHBondContact O-N 2.99Å; Q433-N437 PolarHBondContact O-ND2 3.01Å
434Q92.1Very high91.3Very high85 Ų8567.1 Ų67.140%0.39733%0.33SS..Hα-helixtrans-58.6-46.5173.6-178.7-178.7-2.600111L430 L431 V432 K436 S438 V444L430-Q434 WeakPolarHBondContact O-CB 3.46Å; L430-Q434 PolarHBondContact O-N 3.06Å; L431-Q434 PolarHBondContact O-N 2.84Å; V432-Q434 VanDerWaalsContact C-N 3.34Å; V432-Q434 PolarHBondContact O-N 2.85Å; Q434-K436 VanDerWaalsContact C-N 3.32Å; Q434-K436 PolarHBondContact O-N 2.73Å; Q434-S438 WeakPolarHBondContact O-CB 3.5Å; Q434-S438 PolarHBondContact O-N 2.86Å; Q434-V444 HydrophobicContact CG-CG2 4.39Å
435T90.5Very high91.4Very high0 Ų067.1 Ų67.10%033%0.329CS..Hα-helixtrans-62-42.7178.1-53.40000110.6L431 V432 Q433 V444 F469 K546 L548L431-T435 PolarHBondContact O-N 3.47Å; L431-T435 PolarHBondContact O-OG1 3.16Å; V432-T435 PolarHBondContact O-N 2.99Å; Q433-T435 VanDerWaalsContact C-N 3.33Å; Q433-T435 PolarHBondContact O-N 3.06Å; T435-V444 WeakPolarHBondContact OG1-CG2 3.43Å; T435-F469 HydrophobicContact CG2-CE2 4.23Å; T435-F469 HydrophobicContact CG2-CZ 4.24Å; T435-K546 HydrophobicContact CG2-CB 4.08Å; T435-K546 VanDerWaalsContact O-CD 3.3Å; T435-K546 WeakPolarHBondContact O-CD 3.4Å; T435-L548 HydrophobicContact CG2-CB 4.2Å
436K90.8Very high91.6Very high111 Ų11166.4 Ų66.448%0.48333%0.326SS..Hα-helixtrans-69-43.5-177.8-162.4170.7-175.5173.80113V432 Q433 Q434 L504 K546V432-K436 PolarHBondContact O-N 3.18Å; Q433-K436 PolarHBondContact O-N 3.22Å; Q434-K436 VanDerWaalsContact C-N 3.32Å; Q434-K436 PolarHBondContact O-N 2.73Å; K436-L504 HydrophobicContact CG-CD1 4.35Å; K436-K546 PolarHBondContact O-NZ 2.77Å
437N90.6Very high91.7Very high123 Ų12360.5 Ų60.566%0.65830%0.298SS*.Hα-helixtrans-94.5-27-169.5-64.4-21.5000114.1Q433Q433-N437 WeakPolarHBondContact O-CB 3.4Å; Q433-N437 PolarHBondContact O-N 2.99Å; Q433-N437 PolarHBondContact O-ND2 3.01Å
438S89.1Confident91.8Very high30 Ų3057 Ų5721%0.2128%0.28CS..  trans-84133.1-177.3-174.90000111.5Q434 R440 T441 K546Q434-S438 WeakPolarHBondContact O-CB 3.5Å; Q434-S438 PolarHBondContact O-N 2.86Å; S438-R440 PolarHBondContact OG-N 3.26Å; S438-T441 VanDerWaalsContact CB-OG1 3.3Å; S438-T441 WeakPolarHBondContact CB-OG1 3.19Å; S438-T441 PolarHBondContact OG-N 3.02Å; S438-T441 PolarHBondContact OG-OG1 2.72Å; S438-K546 WeakPolarHBondContact O-CE 3.22Å; S438-K546 PolarHBondContact O-NZ 3.06Å
439D82.8Confident91.9Very high133 Ų13357.2 Ų57.271%0.71128%0.28SS*.SBendtrans-100.1-13.3169-63.9-25.7000112.2K546D439-K546 WeakPolarHBondContact OD1-CE 3.48Å; D439-K546 IonicContact OD1-NZ 3.66Å; D439-K546 PolarHBondContact OD1-NZ 2.95Å
440R86.1Confident91.8Very high237 Ų23752.1 Ų52.189%0.89426%0.259SS*.SBendtrans-79-32.4177.9-66.6-174.2179.5-176.20.7112.2S438 P442S438-R440 PolarHBondContact OG-N 3.26Å; R440-P442 VanDerWaalsContact C-CD 3.46Å; R440-P442 VanDerWaalsContact O-CD 3.29Å; R440-P442 WeakPolarHBondContact O-CD 3.37Å
441T87.2Confident91.7Very high50 Ų5048 Ų4831%0.30724%0.238SC..  trans-118.477.1-178.855.10000109S438 L443S438-T441 VanDerWaalsContact CB-OG1 3.3Å; S438-T441 WeakPolarHBondContact CB-OG1 3.19Å; S438-T441 PolarHBondContact OG-N 3.02Å; S438-T441 PolarHBondContact OG-OG1 2.72Å; T441-L443 PolarHBondContact O-N 3.41Å
442P89.2Confident91.6Very high43 Ų4350.7 Ų50.728%0.27926%0.257SS..SBendtrans-71.1-13.9179.831.2-37.1000112.8R440 P541 K546 L547R440-P442 VanDerWaalsContact C-CD 3.46Å; R440-P442 VanDerWaalsContact O-CD 3.29Å; R440-P442 WeakPolarHBondContact O-CD 3.37Å; P442-P541 HydrophobicContact CB-CG 4.03Å; P442-K546 CarbonylContact O-C 3.51Å; P442-K546 VanDerWaalsContact O-CA 3.31Å; P442-K546 WeakPolarHBondContact O-CA 3.5Å; P442-L547 PolarHBondContact O-N 3.27Å
443L93.4Very high91.3Very high29 Ų2953.9 Ų53.915%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-121.1125.5176.8-178.864.1000108.5T441 L537 L547 I549T441-L443 PolarHBondContact O-N 3.41Å; L443-L537 VanDerWaalsContact CD2-O 3.27Å; L443-L537 WeakPolarHBondContact CD2-O 3.46Å; L443-L547 WeakPolarHBondContact CA-O 3.47Å; L443-L547 HydrophobicContact CD1-CB 3.95Å; L443-L547 HydrophobicContact CD1-CD2 3.76Å; L443-L547 HydrophobicContact CD1-CG 3.89Å; L443-I549 HydrophobicContact CD1-CD1 3.75Å; L443-I549 HydrophobicContact CD1-CG1 4.16Å
444V94.3Very high91.2Very high3 Ų350.1 Ų50.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-126125.6172.1-179.90000107.8L431 Q434 T435 V446 L547 L548 I549L431-V444 HydrophobicContact CD2-CG1 3.98Å; Q434-V444 HydrophobicContact CG-CG2 4.39Å; T435-V444 WeakPolarHBondContact OG1-CG2 3.43Å; V444-V446 HydrophobicContact CG1-CG2 4.16Å; V444-L547 PolarHBondContact N-O 3.44Å; V444-L548 HydrophobicContact CB-CD1 4.08Å; V444-L548 HydrophobicContact CG1-CD1 4.03Å; V444-L548 CarbonylContact O-C 3.48Å; V444-L548 WeakPolarHBondContact O-CA 3.36Å; V444-I549 PolarHBondContact O-N 3.38Å
445S95Very high91Very high3 Ų347.1 Ų47.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-118.3125.8179.654.20000110I549 A567 F568 S569 T570S445-I549 CarbonylContact C-O 3.54Å; S445-I549 WeakPolarHBondContact CA-O 3.4Å; S445-A567 PolarHBondContact OG-O 3.45Å; S445-F568 WeakPolarHBondContact OG-CA 3.47Å; S445-S569 PolarHBondContact N-OG 3.37Å; S445-S569 WeakPolarHBondContact O-CA 3.37Å; S445-S569 VanDerWaalsContact O-CB 3.24Å; S445-S569 WeakPolarHBondContact O-CB 3.37Å; S445-S569 PolarHBondContact O-N 3.4Å; S445-S569 PolarHBondContact OG-N 2.72Å; S445-S569 PolarHBondContact OG-OG 3.33Å; S445-T570 PolarHBondContact O-N 3.45Å
446V95.5Very high91.1Very high6 Ų647.4 Ų47.44%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-123.2132-174.3-177.50000108.5L431 V444 L548 I549 I550 G551 T570 I572L431-V446 HydrophobicContact CB-CG2 4.27Å; L431-V446 HydrophobicContact CD1-CB 4.47Å; L431-V446 HydrophobicContact CD1-CG1 3.96Å; L431-V446 HydrophobicContact CD1-CG2 3.65Å; L431-V446 HydrophobicContact CD2-CG2 4.15Å; L431-V446 HydrophobicContact CG-CG2 4.23Å; V444-V446 HydrophobicContact CG1-CG2 4.16Å; V446-L548 HydrophobicContact CG2-CD1 4.03Å; V446-I549 PolarHBondContact N-O 3.47Å; V446-I550 CarbonylContact O-C 3.56Å; V446-I550 WeakPolarHBondContact O-CA 3.22Å; V446-G551 PolarHBondContact O-N 3.3Å; V446-T570 WeakPolarHBondContact CA-O 3.35Å; V446-T570 HydrophobicContact CB-CG2 4.29Å; V446-T570 HydrophobicContact CG1-CG2 4.09Å; V446-T570 HydrophobicContact CG2-CG2 3.94Å; V446-I572 HydrophobicContact CG1-CD1 3.88Å; V446-I572 HydrophobicContact CG1-CG1 4.24Å
447L96.3Very high91.2Very high0 Ų043.6 Ų43.60%024%0.236CC..EExtended strand (participates in β ladder)trans-107.9122.4172.3-175.469.3000110.5I512 T553 L559 L565 F568 T570 A571 I572L447-I512 HydrophobicContact CD1-CD1 3.88Å; L447-T553 HydrophobicContact CD1-CG2 3.92Å; L447-T553 HydrophobicContact CD2-CG2 4.04Å; L447-T553 HydrophobicContact CG-CG2 4.16Å; L447-L559 HydrophobicContact CD1-CD2 4.12Å; L447-L559 HydrophobicContact CD2-CD2 4.04Å; L447-L565 HydrophobicContact CD2-CD2 3.28Å; L447-L565 HydrophobicContact CD2-CG 4.4Å; L447-F568 HydrophobicContact CB-CB 4.23Å; L447-F568 HydrophobicContact CB-CD1 4.03Å; L447-F568 HydrophobicContact CB-CD2 4.06Å; L447-F568 HydrophobicContact CB-CE1 4.43Å; L447-F568 HydrophobicContact CB-CE2 4.46Å; L447-F568 HydrophobicContact CB-CG 3.85Å; L447-F568 HydrophobicContact CD1-CD2 4.34Å; L447-F568 HydrophobicContact CD1-CE2 3.96Å; L447-F568 HydrophobicContact CD1-CZ 4.07Å; L447-F568 HydrophobicContact CD2-CD2 4.36Å; L447-F568 HydrophobicContact CG-CD2 4.5Å; L447-T570 PolarHBondContact N-O 2.96Å; L447-A571 HydrophobicContact CB-CB 4.29Å; L447-A571 CarbonylContact O-C 3.53Å; L447-A571 VanDerWaalsContact O-CA 3.26Å; L447-A571 WeakPolarHBondContact O-CA 3.3Å; L447-I572 PolarHBondContact O-N 2.93Å
448L95.5Very high91.2Very high1 Ų138.7 Ų38.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-91.8107.2168.7-66.8167.5000108.7A460 I550 G551 T552 T553 I572 I574L448-A460 HydrophobicContact CD1-CB 3.52Å; L448-I550 HydrophobicContact CD1-CG2 3.56Å; L448-I550 HydrophobicContact CG-CG2 4.1Å; L448-G551 PolarHBondContact N-O 3.28Å; L448-T552 HydrophobicContact CB-CG2 4.33Å; L448-T552 HydrophobicContact CD1-CG2 4.37Å; L448-T552 WeakPolarHBondContact O-CA 3.28Å; L448-T553 PolarHBondContact O-N 2.9Å; L448-I572 HydrophobicContact CD2-CB 3.79Å; L448-I572 HydrophobicContact CD2-CD1 4.26Å; L448-I572 HydrophobicContact CD2-CG2 4Å; L448-I574 HydrophobicContact CB-CD1 4.14Å; L448-I574 HydrophobicContact CD2-CD1 3.85Å; L448-I574 HydrophobicContact CG-CD1 4.43Å
449E94.6Very high91.3Very high6 Ų637.6 Ų37.63%0.02820%0.204CC..EExtended strand (participates in β ladder)trans-108.1154.3178.962.4167.8-133.700111.2T553 R556 I572 H573 I574E449-T553 HydrophobicContact CB-CG2 4.08Å; E449-R556 IonicContact OE1-CZ 3.32Å; E449-R556 IonicContact OE1-NE 3.74Å; E449-R556 IonicContact OE1-NH1 2.72Å; E449-R556 PolarHBondContact OE1-NH1 2.71Å; E449-R556 WeakPolarHBondContact OE2-CD 3.44Å; E449-R556 WeakPolarHBondContact OE2-CG 3.31Å; E449-R556 IonicContact OE2-CZ 3.78Å; E449-R556 IonicContact OE2-NE 3.24Å; E449-R556 PolarHBondContact OE2-NE 3.08Å; E449-R556 IonicContact OE2-NH1 3.29Å; E449-R556 PolarHBondContact OE2-NH1 2.87Å; E449-I572 PolarHBondContact N-O 3.26Å; E449-H573 HydrophobicContact CG-CB 4.23Å; E449-H573 IonicContact OE1-CG 3.84Å; E449-H573 IonicContact OE1-ND1 3.09Å; E449-H573 PolarHBondContact OE1-ND1 2.97Å; E449-H573 VanDerWaalsContact OE1-ND1 3.09Å; E449-I574 PolarHBondContact O-N 3.17Å
450G92.4Very high91.8Very high9 Ų931.3 Ų31.39%0.09317%0.171CC..  trans161.7176.217500000112.1K456 T553 S554 I574G450-K456 PolarHBondContact O-NZ 3.26Å; G450-T553 PolarHBondContact N-O 3.23Å; G450-S554 VanDerWaalsContact O-CA 3.28Å; G450-S554 WeakPolarHBondContact O-CA 3.42Å; G450-I574 WeakPolarHBondContact CA-O 3.38Å
451P91.5Very high92Very high19 Ų1920 Ų2012%0.12313%0.128CC..SBendtrans-62.2157.4-179.7-21.734.2000112.8S454 K456 I574 N576 W611P451-S454 WeakPolarHBondContact O-CB 3.19Å; P451-S454 PolarHBondContact O-OG 3.27Å; P451-K456 PolarHBondContact O-NZ 3.2Å; P451-I574 VanDerWaalsContact CD-O 3.31Å; P451-I574 WeakPolarHBondContact CD-O 3.22Å; P451-N576 WeakPolarHBondContact CB-ND2 3.49Å; P451-N576 HydrophobicContact CG-CB 4.42Å; P451-W611 HydrophobicContact CB-CZ2 4.44Å; P451-W611 HydrophobicContact CG-CH2 4.39Å; P451-W611 HydrophobicContact CG-CZ2 3.66Å
452P89.5Confident92.2Very high77 Ų7720.1 Ų20.150%0.512%0.124SC..THydrogen-bonded Turntrans-59.1149.8174.626.9-34.6000110.8S454P452-S454 VanDerWaalsContact C-N 3.26Å; P452-S454 PolarHBondContact O-N 3.18Å
453N89.3Confident92.3Very high81 Ų8118.6 Ų18.643%0.43311%0.114SC..THydrogen-bonded Turntrans67.712.3178.9-51.1-38000116.2G455 G613 I614 K615 K616N453-G455 VanDerWaalsContact C-N 3.31Å; N453-G455 PolarHBondContact O-N 3.45Å; N453-G613 CarbonylContact O-C 3.57Å; N453-G613 WeakPolarHBondContact O-CA 3.42Å; N453-I614 PolarHBondContact O-N 3.4Å; N453-K615 HydrophobicContact CB-CB 4.12Å; N453-K615 WeakPolarHBondContact O-CB 3.38Å; N453-K615 PolarHBondContact O-N 2.88Å; N453-K616 HydrophobicContact CB-CB 4.31Å
454S89.4Confident92.2Very high6 Ų617.2 Ų17.24%0.04211%0.106CC..SBendtrans-79.1-7176.663.70000114.8P451 P452 K456 N576 I614P451-S454 WeakPolarHBondContact O-CB 3.19Å; P451-S454 PolarHBondContact O-OG 3.27Å; P452-S454 VanDerWaalsContact C-N 3.26Å; P452-S454 PolarHBondContact O-N 3.18Å; S454-K456 VanDerWaalsContact OG-CG 3.31Å; S454-K456 WeakPolarHBondContact OG-CG 3.32Å; S454-N576 WeakPolarHBondContact CB-OD1 3.27Å; S454-I614 VanDerWaalsContact O-CG2 3.28Å; S454-I614 WeakPolarHBondContact O-CG2 3.47Å
455G89Confident91.9Very high22 Ų2221.1 Ų21.123%0.22712%0.124CC..  trans8921177.500000115.1N453 T457 A458 L459N453-G455 VanDerWaalsContact C-N 3.31Å; N453-G455 PolarHBondContact O-N 3.45Å; G455-T457 PolarHBondContact O-N 2.94Å; G455-A458 PolarHBondContact O-N 3.21Å; G455-A458 VanDerWaalsContact O-N 3.15Å; G455-L459 PolarHBondContact O-N 3.44Å
456K92Very high91.6Very high7 Ų725.1 Ų25.13%0.0315%0.146CC..Hα-helixtrans-53.8-46.3-179.7-55.8178-74-100.60113.5G450 P451 S454 A458 L459 A460 T552 T553 S554 I574G450-K456 PolarHBondContact O-NZ 3.26Å; P451-K456 PolarHBondContact O-NZ 3.2Å; S454-K456 VanDerWaalsContact OG-CG 3.31Å; S454-K456 WeakPolarHBondContact OG-CG 3.32Å; K456-A458 PolarHBondContact O-N 3.38Å; K456-L459 PolarHBondContact O-N 3.41Å; K456-A460 WeakPolarHBondContact O-CB 3.27Å; K456-A460 PolarHBondContact O-N 3.47Å; K456-T552 HydrophobicContact CB-CG2 4.3Å; K456-T553 VanDerWaalsContact CD-O 3.24Å; K456-T553 WeakPolarHBondContact CD-O 3.42Å; K456-T553 WeakPolarHBondContact CE-O 3.32Å; K456-T553 PolarHBondContact NZ-O 2.85Å; K456-S554 WeakPolarHBondContact CE-OG 3.31Å; K456-S554 PolarHBondContact NZ-OG 2.78Å; K456-I574 HydrophobicContact CB-CD1 4.18Å; K456-I574 HydrophobicContact CG-CB 4.5Å; K456-I574 HydrophobicContact CG-CD1 3.86Å
457T92.1Very high91.2Very high30 Ų3025.2 Ų25.218%0.18415%0.147CC..Hα-helixtrans-58.5-47177.2-48.30000111.4Y409 G455 L459 A460 V461 D510Y409-T457 HydrophobicContact CD1-CG2 3.87Å; G455-T457 PolarHBondContact O-N 2.94Å; T457-L459 VanDerWaalsContact C-N 3.34Å; T457-L459 PolarHBondContact O-N 3.36Å; T457-A460 WeakPolarHBondContact O-CB 3.19Å; T457-A460 PolarHBondContact O-N 3.13Å; T457-V461 HydrophobicContact CG2-CG2 4.5Å; T457-V461 WeakPolarHBondContact O-CB 3.24Å; T457-V461 WeakPolarHBondContact O-CG2 3.32Å; T457-V461 PolarHBondContact O-N 3.14Å; T457-D510 VanDerWaalsContact CB-OD1 3.31Å; T457-D510 WeakPolarHBondContact CB-OD1 3.49Å; T457-D510 HydrophobicContact CG2-CB 4.46Å; T457-D510 WeakPolarHBondContact CG2-OD1 3.29Å; T457-D510 VanDerWaalsContact CG2-OD2 3.26Å; T457-D510 WeakPolarHBondContact CG2-OD2 3.35Å; T457-D510 PolarHBondContact OG1-OD1 3.16Å
458A91.2Very high90.6Very high20 Ų2031.8 Ų31.817%0.16518%0.177CC..Hα-helixtrans-62.8-41.3178.600000111.6I410 I414 G455 K456 V461 K462I410-A458 HydrophobicContact CG1-CB 4.5Å; I414-A458 HydrophobicContact CD1-CB 3.84Å; G455-A458 PolarHBondContact O-N 3.21Å; G455-A458 VanDerWaalsContact O-N 3.15Å; K456-A458 PolarHBondContact O-N 3.38Å; A458-V461 PolarHBondContact O-N 2.89Å; A458-K462 WeakPolarHBondContact O-CB 3.32Å; A458-K462 PolarHBondContact O-N 3.33Å
459L91.5Very high90.2Very high8 Ų832 Ų324%0.04218%0.178CC..Hα-helixtrans-63-44.4173.7-91.5158.2000112.7V421 L425 G455 K456 T457 V461 K462 I463 I574V421-L459 HydrophobicContact CG1-CD2 4.25Å; L425-L459 HydrophobicContact CD2-CD2 3.69Å; L425-L459 HydrophobicContact CG-CD2 3.9Å; G455-L459 PolarHBondContact O-N 3.44Å; K456-L459 PolarHBondContact O-N 3.41Å; T457-L459 VanDerWaalsContact C-N 3.34Å; T457-L459 PolarHBondContact O-N 3.36Å; L459-V461 VanDerWaalsContact C-N 3.32Å; L459-V461 PolarHBondContact O-N 3.46Å; L459-K462 PolarHBondContact O-N 3.38Å; L459-I463 VanDerWaalsContact O-CG1 3.3Å; L459-I463 WeakPolarHBondContact O-CG1 3.47Å; L459-I463 PolarHBondContact O-N 3.32Å; L459-I574 HydrophobicContact CB-CD1 4.32Å; L459-I574 HydrophobicContact CD1-CD1 3.65Å; L459-I574 HydrophobicContact CD1-CG1 4.19Å; L459-I574 HydrophobicContact CD1-CG2 4.13Å
460A93.1Very high89.5Confident0 Ų033.4 Ų33.40%019%0.188CC..Hα-helixtrans-59.1-46177.400000111.4L448 K456 T457 K462 I463 A464 V508 I550 T552L448-A460 HydrophobicContact CD1-CB 3.52Å; K456-A460 WeakPolarHBondContact O-CB 3.27Å; K456-A460 PolarHBondContact O-N 3.47Å; T457-A460 WeakPolarHBondContact O-CB 3.19Å; T457-A460 PolarHBondContact O-N 3.13Å; A460-K462 VanDerWaalsContact C-N 3.33Å; A460-I463 PolarHBondContact O-N 3.47Å; A460-A464 WeakPolarHBondContact O-CB 3.26Å; A460-A464 PolarHBondContact O-N 3.1Å; A460-V508 HydrophobicContact CB-CG1 3.8Å; A460-I550 HydrophobicContact CB-CG2 3.75Å; A460-T552 HydrophobicContact CB-CG2 3.7Å
461V90.9Very high89.1Confident0 Ų033.5 Ų33.50%019%0.185CC..Hα-helixtrans-66-38.5178176.70000110.6Y406 Y409 I410 T457 A458 L459 A464 E465 I474Y406-V461 HydrophobicContact CD1-CG1 3.51Å; Y406-V461 HydrophobicContact CE1-CG1 4.24Å; Y406-V461 HydrophobicContact CG-CG1 4.43Å; Y409-V461 HydrophobicContact CG-CG2 4.33Å; I410-V461 HydrophobicContact CD1-CB 4.34Å; I410-V461 HydrophobicContact CD1-CG1 3.89Å; I410-V461 HydrophobicContact CG1-CB 4.48Å; I410-V461 HydrophobicContact CG1-CG1 4.18Å; T457-V461 HydrophobicContact CG2-CG2 4.5Å; T457-V461 WeakPolarHBondContact O-CB 3.24Å; T457-V461 WeakPolarHBondContact O-CG2 3.32Å; T457-V461 PolarHBondContact O-N 3.14Å; A458-V461 PolarHBondContact O-N 2.89Å; L459-V461 VanDerWaalsContact C-N 3.32Å; L459-V461 PolarHBondContact O-N 3.46Å; V461-A464 PolarHBondContact O-N 3.35Å; V461-E465 WeakPolarHBondContact O-CB 3.47Å; V461-E465 PolarHBondContact O-N 3.22Å; V461-I474 HydrophobicContact CG1-CD1 4.13Å; V461-I474 HydrophobicContact CG2-CD1 3.63Å; V461-I474 HydrophobicContact CG2-CG1 4.28Å
462K90.5Very high88.9Confident53 Ų5332.9 Ų32.923%0.2318%0.181CC..Hα-helixtrans-65.4-46.1176.5-174.258.4174.9152.20112.7I410 I414 L425 A458 L459 A460 A464 E465 D466I410-K462 HydrophobicContact CD1-CB 4.39Å; I414-K462 HydrophobicContact CD1-CB 4.18Å; I414-K462 HydrophobicContact CG1-CB 3.92Å; I414-K462 HydrophobicContact CG1-CD 4.33Å; I414-K462 HydrophobicContact CG1-CG 3.9Å; L425-K462 HydrophobicContact CD2-CG 4.25Å; A458-K462 WeakPolarHBondContact O-CB 3.32Å; A458-K462 PolarHBondContact O-N 3.33Å; L459-K462 PolarHBondContact O-N 3.38Å; A460-K462 VanDerWaalsContact C-N 3.33Å; K462-A464 PolarHBondContact O-N 2.82Å; K462-E465 WeakPolarHBondContact CD-OE2 3.49Å; K462-E465 IonicContact NZ-OE2 3.95Å; K462-E465 PolarHBondContact NZ-OE2 2.98Å; K462-E465 PolarHBondContact O-N 3.01Å; K462-E465 VanDerWaalsContact O-N 3.17Å; K462-D466 VanDerWaalsContact CE-OD1 3.24Å; K462-D466 WeakPolarHBondContact CE-OD1 3.34Å; K462-D466 WeakPolarHBondContact CE-OD2 3.39Å; K462-D466 IonicContact NZ-OD1 3.47Å; K462-D466 PolarHBondContact NZ-OD1 3.02Å; K462-D466 IonicContact NZ-OD2 3.58Å; K462-D466 WeakPolarHBondContact O-CB 3.32Å; K462-D466 PolarHBondContact O-N 2.86Å
463I91.9Very high88.9Confident11 Ų1132.2 Ų32.26%0.05617%0.17CC..Hα-helixtrans-59.4-40.7175.1-66.4164.3000110.1L425 V432 L459 A460 S467 I550L425-I463 HydrophobicContact CD2-CG1 3.98Å; V432-I463 HydrophobicContact CG2-CG2 4.16Å; L459-I463 VanDerWaalsContact O-CG1 3.3Å; L459-I463 WeakPolarHBondContact O-CG1 3.47Å; L459-I463 PolarHBondContact O-N 3.32Å; A460-I463 PolarHBondContact O-N 3.47Å; I463-S467 PolarHBondContact O-N 3.19Å; I463-I550 HydrophobicContact CB-CD1 4.26Å; I463-I550 HydrophobicContact CG2-CD1 3.91Å
464A90.5Very high88.9Confident0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-65.2-42.3176.400000112.1A460 V461 K462 S467 I472 V508A460-A464 WeakPolarHBondContact O-CB 3.26Å; A460-A464 PolarHBondContact O-N 3.1Å; V461-A464 PolarHBondContact O-N 3.35Å; K462-A464 PolarHBondContact O-N 2.82Å; A464-S467 WeakPolarHBondContact O-CB 3.47Å; A464-S467 PolarHBondContact O-N 3.11Å; A464-S467 PolarHBondContact O-OG 3.36Å; A464-I472 HydrophobicContact CB-CG2 3.73Å; A464-I472 WeakPolarHBondContact O-CD1 3.47Å; A464-V508 HydrophobicContact CB-CG2 3.86Å
465E87.4Confident89Confident85 Ų8528.5 Ų28.540%0.39715%0.15SC..Hα-helixtrans-62.5-49.8175.4-176.8-175.1-143.400111.9V461 K462 S467 Q468V461-E465 WeakPolarHBondContact O-CB 3.47Å; V461-E465 PolarHBondContact O-N 3.22Å; K462-E465 WeakPolarHBondContact CD-OE2 3.49Å; K462-E465 IonicContact NZ-OE2 3.95Å; K462-E465 PolarHBondContact NZ-OE2 2.98Å; K462-E465 PolarHBondContact O-N 3.01Å; K462-E465 VanDerWaalsContact O-N 3.17Å; E465-S467 PolarHBondContact O-N 3.14Å; E465-Q468 PolarHBondContact O-N 3.18Å
466D88.8Confident89.1Confident87 Ų8727.5 Ų27.547%0.46514%0.14SC..Hα-helixtrans-64.9-22.4-178.9-68-15.7000111.8K462 Q468K462-D466 VanDerWaalsContact CE-OD1 3.24Å; K462-D466 WeakPolarHBondContact CE-OD1 3.34Å; K462-D466 WeakPolarHBondContact CE-OD2 3.39Å; K462-D466 IonicContact NZ-OD1 3.47Å; K462-D466 PolarHBondContact NZ-OD1 3.02Å; K462-D466 IonicContact NZ-OD2 3.58Å; K462-D466 WeakPolarHBondContact O-CB 3.32Å; K462-D466 PolarHBondContact O-N 2.86Å; D466-Q468 PolarHBondContact O-N 3.45Å
467S87.7Confident89Confident8 Ų828.1 Ų28.16%0.05614%0.144CC..THydrogen-bonded Turntrans-62.7-24.8173.382.20000113.9I463 A464 E465 F469I463-S467 PolarHBondContact O-N 3.19Å; A464-S467 WeakPolarHBondContact O-CB 3.47Å; A464-S467 PolarHBondContact O-N 3.11Å; A464-S467 PolarHBondContact O-OG 3.36Å; E465-S467 PolarHBondContact O-N 3.14Å; S467-F469 VanDerWaalsContact O-CD1 3.3Å; S467-F469 WeakPolarHBondContact O-CD1 3.39Å; S467-F469 PolarHBondContact O-N 3.34Å; S467-F469 WeakPolarHBondContact OG-CG 3.28Å; S467-F469 PolarHBondContact OG-N 2.81Å
468Q84.7Confident88.8Confident138 Ų13831 Ų3165%0.64516%0.159SC*.THydrogen-bonded Turntrans50.126.5-173.7-58.2-177-10.500113.7E465 D466E465-Q468 PolarHBondContact O-N 3.18Å; D466-Q468 PolarHBondContact O-N 3.45Å
469F86.4Confident88.5Confident5 Ų534.9 Ų34.92%0.02217%0.172CC..  trans-62.6142.3176.7-73-3.2000110.1V432 T435 S467 F471 I472 L504 C506 L548V432-F469 HydrophobicContact CG1-CE1 3.85Å; V432-F469 HydrophobicContact CG1-CZ 3.87Å; T435-F469 HydrophobicContact CG2-CE2 4.23Å; T435-F469 HydrophobicContact CG2-CZ 4.24Å; S467-F469 VanDerWaalsContact O-CD1 3.3Å; S467-F469 WeakPolarHBondContact O-CD1 3.39Å; S467-F469 PolarHBondContact O-N 3.34Å; S467-F469 WeakPolarHBondContact OG-CG 3.28Å; S467-F469 PolarHBondContact OG-N 2.81Å; F469-F471 VanDerWaalsContact C-N 3.32Å; F469-F471 PolarHBondContact O-N 3.45Å; F469-I472 HydrophobicContact CB-CG1 4.25Å; F469-L504 HydrophobicContact CD1-CB 4.35Å; F469-L504 HydrophobicContact CD1-CD1 4.38Å; F469-L504 HydrophobicContact CG-CB 4.29Å; F469-C506 HydrophobicContact CD2-CB 3.82Å; F469-L548 HydrophobicContact CE2-CB 3.88Å; F469-L548 HydrophobicContact CE2-CD2 4.09Å
470P78.6Confident88.3Confident35 Ų3535 Ų3523%0.22717%0.172CC..SBendtrans-52.9-50.3178.4-24.832.7000111.5N342 L504N342-P470 PolarHBondContact ND2-O 3.44Å; P470-L504 WeakPolarHBondContact CD-O 3.46Å; P470-L504 HydrophobicContact CG-CB 4.41Å
471F85.5Confident88.2Confident11 Ų1141.4 Ų41.45%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-108.5115.1-178.4-176.1-91.4000111.2F469 K473 D498 A499 L504 S505 C506F469-F471 VanDerWaalsContact C-N 3.32Å; F469-F471 PolarHBondContact O-N 3.45Å; F471-K473 HydrophobicContact CE1-CB 3.64Å; F471-K473 HydrophobicContact CZ-CB 3.79Å; F471-K473 HydrophobicContact CZ-CG 4.31Å; F471-D498 HydrophobicContact CE2-CB 4.36Å; F471-D498 HydrophobicContact CZ-CB 3.98Å; F471-A499 HydrophobicContact CD1-CB 4Å; F471-A499 HydrophobicContact CE1-CB 3.67Å; F471-L504 PolarHBondContact N-O 3.21Å; F471-S505 CarbonylContact O-C 3.59Å; F471-S505 VanDerWaalsContact O-CA 3.25Å; F471-S505 WeakPolarHBondContact O-CA 3.31Å; F471-C506 PolarHBondContact O-N 2.61Å
472I86.9Confident88Confident6 Ų645.2 Ų45.23%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-122.8129.8170.2-55.1155000108.1T401 Y406 A464 F469 C506T401-I472 HydrophobicContact CG2-CB 3.85Å; T401-I472 HydrophobicContact CG2-CD1 3.83Å; T401-I472 HydrophobicContact CG2-CG1 4.26Å; Y406-I472 HydrophobicContact CE1-CG2 3.95Å; Y406-I472 VanDerWaalsContact OH-CB 3.28Å; Y406-I472 WeakPolarHBondContact OH-CB 3.38Å; Y406-I472 VanDerWaalsContact OH-CG2 3.26Å; Y406-I472 WeakPolarHBondContact OH-CG2 3.31Å; Y406-I472 PolarHBondContact OH-O 2.88Å; Y406-I472 VanDerWaalsContact OH-O 3.1Å; A464-I472 HydrophobicContact CB-CG2 3.73Å; A464-I472 WeakPolarHBondContact O-CD1 3.47Å; F469-I472 HydrophobicContact CB-CG1 4.25Å; I472-C506 VanDerWaalsContact CA-O 3.31Å; I472-C506 WeakPolarHBondContact CA-O 3.24Å; I472-C506 HydrophobicContact CG1-CB 4.1Å; I472-C506 HydrophobicContact CG2-CB 4.38Å
473K89.1Confident88Confident63 Ų6346.8 Ų46.827%0.27425%0.253SS..EExtended strand (participates in β ladder)trans-137.6132.2176.9-161.667.4172.2-177.70111.6F471 I495 C506 V507 V508F471-K473 HydrophobicContact CE1-CB 3.64Å; F471-K473 HydrophobicContact CZ-CB 3.79Å; F471-K473 HydrophobicContact CZ-CG 4.31Å; K473-I495 HydrophobicContact CB-CG2 4.23Å; K473-I495 HydrophobicContact CG-CG2 3.98Å; K473-C506 PolarHBondContact N-O 2.87Å; K473-V507 WeakPolarHBondContact O-CA 3.22Å; K473-V508 PolarHBondContact O-N 3.1Å
474I90.3Very high88.1Confident8 Ų849.7 Ų49.74%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-98.2119.7176.6-53.6166.5000108.5Y406 Y409 V461 V508Y406-I474 HydrophobicContact CD1-CD1 4.25Å; Y406-I474 HydrophobicContact CE1-CD1 4.09Å; Y409-I474 HydrophobicContact CD2-CD1 3.45Å; Y409-I474 VanDerWaalsContact CD2-CD1 3.45Å; Y409-I474 HydrophobicContact CE2-CB 4.32Å; Y409-I474 HydrophobicContact CE2-CD1 3.57Å; Y409-I474 HydrophobicContact CE2-CG2 4.05Å; Y409-I474 HydrophobicContact CG-CD1 4.35Å; V461-I474 HydrophobicContact CG1-CD1 4.13Å; V461-I474 HydrophobicContact CG2-CD1 3.63Å; V461-I474 HydrophobicContact CG2-CG1 4.28Å; I474-V508 HydrophobicContact CG1-CB 4.27Å; I474-V508 HydrophobicContact CG2-CB 4.44Å
475C91.8Very high88.1Confident2 Ų253.9 Ų53.91%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-93.886.5170.7-178.30000108.3M480 I495 V508 D510C475-M480 VanDerWaalsContact SG-CE 3.59Å; C475-I495 HydrophobicContact CB-CD1 3.9Å; C475-V508 WeakPolarHBondContact CB-O 3.4Å; C475-V508 PolarHBondContact N-O 3.09Å; C475-D510 PolarHBondContact O-N 2.93Å
476S89.9Confident88.4Confident1 Ų154.8 Ų54.81%0.00730%0.3CS..  trans-97.5144.6174.5157.50000111.3Y409 D478 K479Y409-S476 WeakPolarHBondContact OH-CB 3.47Å; S476-D478 PolarHBondContact O-N 2.93Å; S476-D478 WeakPolarHBondContact OG-CB 3.41Å; S476-D478 PolarHBondContact OG-N 3Å; S476-D478 PolarHBondContact OG-OD2 3.29Å; S476-K479 PolarHBondContact O-N 3.26Å
477P89.9Confident88.5Confident19 Ų1952 Ų5212%0.12329%0.289CS..G310 helixtrans-54.7-27.4169.1-16.322.1000114.1K479 M480 I481 D510 D511 R514 L515P477-K479 PolarHBondContact O-N 3.12Å; P477-M480 CarbonylContact O-C 3.59Å; P477-M480 WeakPolarHBondContact O-CA 3.41Å; P477-M480 PolarHBondContact O-N 3.45Å; P477-I481 PolarHBondContact O-N 2.76Å; P477-D510 WeakPolarHBondContact CD-O 3.33Å; P477-D511 HydrophobicContact CG-CB 4.29Å; P477-R514 HydrophobicContact CB-CB 4.19Å; P477-R514 HydrophobicContact CG-CB 3.7Å; P477-L515 HydrophobicContact CB-CD2 4.12Å; P477-L515 HydrophobicContact CG-CD2 3.93Å; P477-L515 HydrophobicContact CG-CG 3.92Å
478D87.6Confident88.8Confident92 Ų9252.4 Ų52.449%0.49229%0.29SS..G310 helixtrans-62.6-31.2-174.5-54.9-39.1000112S476 M480 I481S476-D478 PolarHBondContact O-N 2.93Å; S476-D478 WeakPolarHBondContact OG-CB 3.41Å; S476-D478 PolarHBondContact OG-N 3Å; S476-D478 PolarHBondContact OG-OD2 3.29Å; D478-M480 VanDerWaalsContact C-N 3.27Å; D478-M480 PolarHBondContact O-N 3.41Å; D478-I481 WeakPolarHBondContact O-CD1 3.46Å; D478-I481 WeakPolarHBondContact O-CG1 3.27Å
479K85.3Confident89.2Confident101 Ų10146.8 Ų46.844%0.43927%0.266SS..G310 helixtrans-81-6.7177-64.6-179.5179177.30113D405 S476 P477D405-K479 IonicContact OD2-NZ 3.33Å; D405-K479 PolarHBondContact OD2-NZ 3.34Å; S476-K479 PolarHBondContact O-N 3.26Å; P477-K479 PolarHBondContact O-N 3.12Å
480M88.6Confident89.4Confident10 Ų1052.6 Ų52.65%0.04929%0.293CS..G310 helixtrans-121.318.6-174-55.5-170.3-171.900112.7C475 P477 D478 G482 H483 K488 A491 I492 I495 L515C475-M480 VanDerWaalsContact SG-CE 3.59Å; P477-M480 CarbonylContact O-C 3.59Å; P477-M480 WeakPolarHBondContact O-CA 3.41Å; P477-M480 PolarHBondContact O-N 3.45Å; D478-M480 VanDerWaalsContact C-N 3.27Å; D478-M480 PolarHBondContact O-N 3.41Å; M480-G482 PolarHBondContact O-N 3Å; M480-H483 WeakPolarHBondContact O-CB 3.37Å; M480-H483 PolarHBondContact O-N 3.28Å; M480-K488 HydrophobicContact CB-CG 4.35Å; M480-K488 HydrophobicContact SD-CB 4.45Å; M480-K488 HydrophobicContact SD-CG 4.42Å; M480-A491 HydrophobicContact CE-CB 3.73Å; M480-A491 HydrophobicContact SD-CB 4.08Å; M480-I492 HydrophobicContact CE-CG1 3.97Å; M480-I492 HydrophobicContact SD-CG1 4.29Å; M480-I495 HydrophobicContact CE-CD1 4Å; M480-L515 HydrophobicContact SD-CD2 4.24Å
481I89.3Confident90Very high134 Ų13452.3 Ų52.369%0.68729%0.293SS*.THydrogen-bonded Turntrans-62.3130.6179.2-61.9170.3000109.8P477 D478 H483P477-I481 PolarHBondContact O-N 2.76Å; D478-I481 WeakPolarHBondContact O-CD1 3.46Å; D478-I481 WeakPolarHBondContact O-CG1 3.27Å; I481-H483 PolarHBondContact O-N 3.43Å
482G86.9Confident90.4Very high81 Ų8151.8 Ų51.884%0.83529%0.291SS*.THydrogen-bonded Turntrans76.83.1179.600000115M480M480-G482 PolarHBondContact O-N 3Å
483H90.4Very high90.6Very high85 Ų8557.1 Ų57.139%0.39431%0.314SS..  trans-73.6140.8173.2-72.97.9000111.6M480 I481 A487 K488M480-H483 WeakPolarHBondContact O-CB 3.37Å; M480-H483 PolarHBondContact O-N 3.28Å; I481-H483 PolarHBondContact O-N 3.43Å; H483-A487 HydrophobicContact CB-CB 3.95Å; H483-K488 HydrophobicContact CB-CG 3.76Å
484S93.8Very high90.6Very high72 Ų7260.5 Ų60.550%0.50333%0.329SS..  trans-67.2162.2165.967.10000110.7I486 A487 K488S484-I486 PolarHBondContact O-N 2.85Å; S484-A487 PolarHBondContact O-N 2.83Å; S484-A487 PolarHBondContact OG-N 2.82Å; S484-K488 PolarHBondContact O-N 3.12Å
485E92.1Very high90.6Very high89 Ų8961.2 Ų61.242%0.41633%0.332SS..Hα-helixtrans-54.1-39.5178.8-52.4-176.4131.100112.2K488 C489 S526 L528 V529E485-K488 PolarHBondContact O-N 2.82Å; E485-C489 PolarHBondContact O-N 3.16Å; E485-C489 PolarHBondContact O-SG 2.78Å; E485-S526 VanDerWaalsContact CG-OG 3.23Å; E485-S526 WeakPolarHBondContact CG-OG 3.07Å; E485-S526 WeakPolarHBondContact OE1-CA 3.43Å; E485-S526 VanDerWaalsContact OE1-CB 3.26Å; E485-S526 WeakPolarHBondContact OE1-CB 3.26Å; E485-S526 PolarHBondContact OE1-OG 3.28Å; E485-L528 HydrophobicContact CB-CB 4.49Å; E485-L528 HydrophobicContact CB-CD2 4.04Å; E485-V529 HydrophobicContact CB-CG2 4.49Å
486I92Very high90.6Very high104 Ų10461.1 Ų61.153%0.53333%0.332SS..Hα-helixtrans-66.2-44.9177.6-60.7172000110.7S484 C489 Q490 L528S484-I486 PolarHBondContact O-N 2.85Å; I486-C489 PolarHBondContact O-N 3.29Å; I486-Q490 WeakPolarHBondContact O-CG 3.45Å; I486-Q490 PolarHBondContact O-N 2.94Å; I486-L528 HydrophobicContact CG1-CD2 3.91Å
487A92.7Very high90.5Very high29 Ų2965.2 Ų65.224%0.2435%0.351CS..Hα-helixtrans-65.3-39.1178.600000111.6H483 S484 Q490 A491H483-A487 HydrophobicContact CB-CB 3.95Å; S484-A487 PolarHBondContact O-N 2.83Å; S484-A487 PolarHBondContact OG-N 2.82Å; A487-Q490 PolarHBondContact O-N 3.29Å; A487-A491 WeakPolarHBondContact O-CB 3.3Å; A487-A491 PolarHBondContact O-N 2.92Å
488K92.8Very high90.3Very high16 Ų1665.7 Ų65.77%0.0735%0.352CS..Hα-helixtrans-59.8-48.5171.8-70.3-174.6178.7-175.90111.4M480 H483 S484 E485 Q490 A491 I492 D517 V529M480-K488 HydrophobicContact CB-CG 4.35Å; M480-K488 HydrophobicContact SD-CB 4.45Å; M480-K488 HydrophobicContact SD-CG 4.42Å; H483-K488 HydrophobicContact CB-CG 3.76Å; S484-K488 PolarHBondContact O-N 3.12Å; E485-K488 PolarHBondContact O-N 2.82Å; K488-Q490 VanDerWaalsContact C-N 3.31Å; K488-Q490 PolarHBondContact O-N 2.84Å; K488-A491 PolarHBondContact O-N 2.87Å; K488-I492 VanDerWaalsContact O-CG1 3.3Å; K488-I492 WeakPolarHBondContact O-CG1 3.45Å; K488-I492 PolarHBondContact O-N 3.08Å; K488-D517 IonicContact NZ-OD1 3.99Å; K488-D517 PolarHBondContact NZ-OD1 3Å; K488-D517 IonicContact NZ-OD2 3.92Å; K488-D517 PolarHBondContact NZ-OD2 3.33Å; K488-V529 HydrophobicContact CB-CG2 4.15Å; K488-V529 HydrophobicContact CD-CG2 4.48Å
489C93.3Very high90.3Very high20 Ų2061.3 Ų61.314%0.13533%0.329CS..Hα-helixtrans-59.5-41.4177.3-69.20000112.4E485 I486 K493E485-C489 PolarHBondContact O-N 3.16Å; E485-C489 PolarHBondContact O-SG 2.78Å; I486-C489 PolarHBondContact O-N 3.29Å; C489-K493 WeakPolarHBondContact O-CB 3.34Å; C489-K493 PolarHBondContact O-N 2.87Å
490Q90.4Very high90.4Very high127 Ų12757.3 Ų57.359%0.59331%0.311SS*.Hα-helixtrans-65.3-40.9176.2-73.7178.9-5.700112.1I486 A487 K488 K493 K494I486-Q490 WeakPolarHBondContact O-CG 3.45Å; I486-Q490 PolarHBondContact O-N 2.94Å; A487-Q490 PolarHBondContact O-N 3.29Å; K488-Q490 VanDerWaalsContact C-N 3.31Å; K488-Q490 PolarHBondContact O-N 2.84Å; Q490-K493 PolarHBondContact O-N 2.79Å; Q490-K494 WeakPolarHBondContact O-CB 3.4Å; Q490-K494 PolarHBondContact O-N 3.38Å
491A91.1Very high90Very high28 Ų2860.6 Ų60.623%0.23133%0.325CS..Hα-helixtrans-64.8-46.7177.100000111.6M480 A487 K488 K494 I495M480-A491 HydrophobicContact CE-CB 3.73Å; M480-A491 HydrophobicContact SD-CB 4.08Å; A487-A491 WeakPolarHBondContact O-CB 3.3Å; A487-A491 PolarHBondContact O-N 2.92Å; K488-A491 PolarHBondContact O-N 2.87Å; A491-K494 PolarHBondContact O-N 3.3Å; A491-I495 WeakPolarHBondContact O-CG1 3.38Å; A491-I495 PolarHBondContact O-N 2.82Å; A491-I495 VanDerWaalsContact O-N 3.07Å
492I93.3Very high89.7Confident1 Ų154.9 Ų54.91%0.00530%0.297CS..Hα-helixtrans-60.5-49.5175.2-64.1168000109.7M480 K488 K494 I495 F496 V529 L533 L536M480-I492 HydrophobicContact CE-CG1 3.97Å; M480-I492 HydrophobicContact SD-CG1 4.29Å; K488-I492 VanDerWaalsContact O-CG1 3.3Å; K488-I492 WeakPolarHBondContact O-CG1 3.45Å; K488-I492 PolarHBondContact O-N 3.08Å; I492-K494 VanDerWaalsContact C-N 3.28Å; I492-K494 PolarHBondContact O-N 3.22Å; I492-I495 WeakPolarHBondContact O-CB 3.49Å; I492-I495 PolarHBondContact O-N 2.74Å; I492-I495 VanDerWaalsContact O-N 3.07Å; I492-F496 HydrophobicContact CG2-CD2 3.83Å; I492-F496 HydrophobicContact CG2-CE2 3.8Å; I492-F496 WeakPolarHBondContact O-CD2 3.17Å; I492-F496 PolarHBondContact O-N 3.47Å; I492-F496 VanDerWaalsContact O-N 3.08Å; I492-V529 HydrophobicContact CD1-CG1 3.87Å; I492-L533 HydrophobicContact CD1-CD2 4.44Å; I492-L533 HydrophobicContact CD1-CG 4.46Å; I492-L533 HydrophobicContact CG2-CD2 4Å; I492-L536 HydrophobicContact CG2-CD1 3.59Å
493K92Very high89.5Confident118 Ų11856.7 Ų56.751%0.51328%0.283SS..Hα-helixtrans-54.5-44.7177.8179.4177.8170.7-177.90111.7C489 Q490 I495 F496 E497C489-K493 WeakPolarHBondContact O-CB 3.34Å; C489-K493 PolarHBondContact O-N 2.87Å; Q490-K493 PolarHBondContact O-N 2.79Å; K493-I495 PolarHBondContact O-N 2.9Å; K493-F496 PolarHBondContact O-N 3.04Å; K493-E497 WeakPolarHBondContact CE-OE1 3.4Å; K493-E497 HydrophobicContact CG-CG 4.41Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 WeakPolarHBondContact O-CB 3.49Å; K493-E497 WeakPolarHBondContact O-CG 3.46Å; K493-E497 PolarHBondContact O-N 3.49Å
494K88.6Confident89.4Confident133 Ų13354.2 Ų54.258%0.57827%0.273SS*.Hα-helixtrans-60.8-43.4177.2-174.7-179.3178.3-176.50112.2Q490 A491 I492 F496 E497 D498Q490-K494 WeakPolarHBondContact O-CB 3.4Å; Q490-K494 PolarHBondContact O-N 3.38Å; A491-K494 PolarHBondContact O-N 3.3Å; I492-K494 VanDerWaalsContact C-N 3.28Å; I492-K494 PolarHBondContact O-N 3.22Å; K494-F496 VanDerWaalsContact C-N 3.34Å; K494-F496 PolarHBondContact O-N 3.37Å; K494-E497 PolarHBondContact O-N 3.16Å; K494-D498 WeakPolarHBondContact O-CB 3.33Å; K494-D498 PolarHBondContact O-N 3.04Å
495I90.6Very high89.3Confident24 Ų2450.9 Ų50.912%0.12325%0.25CC..Hα-helixtrans-59.6-45.6177.7-68.6166.6000110.8K473 C475 M480 A491 I492 K493 D498 A499 V507K473-I495 HydrophobicContact CB-CG2 4.23Å; K473-I495 HydrophobicContact CG-CG2 3.98Å; C475-I495 HydrophobicContact CB-CD1 3.9Å; M480-I495 HydrophobicContact CE-CD1 4Å; A491-I495 WeakPolarHBondContact O-CG1 3.38Å; A491-I495 PolarHBondContact O-N 2.82Å; A491-I495 VanDerWaalsContact O-N 3.07Å; I492-I495 WeakPolarHBondContact O-CB 3.49Å; I492-I495 PolarHBondContact O-N 2.74Å; I492-I495 VanDerWaalsContact O-N 3.07Å; K493-I495 PolarHBondContact O-N 2.9Å; I495-D498 PolarHBondContact O-N 3.32Å; I495-A499 WeakPolarHBondContact O-CB 3.12Å; I495-A499 PolarHBondContact O-N 3.11Å; I495-V507 HydrophobicContact CG2-CG1 4.02Å; I495-V507 HydrophobicContact CG2-CG2 4.5Å
496F92.4Very high89.3Confident0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-68.3-39177.6-82.7-92000112.4I492 K493 K494 D498 A499 Y500 V507 V509 L536 L547 I549I492-F496 HydrophobicContact CG2-CD2 3.83Å; I492-F496 HydrophobicContact CG2-CE2 3.8Å; I492-F496 WeakPolarHBondContact O-CD2 3.17Å; I492-F496 PolarHBondContact O-N 3.47Å; I492-F496 VanDerWaalsContact O-N 3.08Å; K493-F496 PolarHBondContact O-N 3.04Å; K494-F496 VanDerWaalsContact C-N 3.34Å; K494-F496 PolarHBondContact O-N 3.37Å; F496-D498 VanDerWaalsContact C-N 3.33Å; F496-D498 PolarHBondContact O-N 3.28Å; F496-A499 WeakPolarHBondContact O-CB 3.17Å; F496-A499 PolarHBondContact O-N 3.32Å; F496-Y500 HydrophobicContact CB-CE2 4.08Å; F496-Y500 WeakPolarHBondContact O-CD2 3.26Å; F496-Y500 WeakPolarHBondContact O-CE2 3.41Å; F496-Y500 PolarHBondContact O-N 2.76Å; F496-V507 HydrophobicContact CE2-CG1 4.29Å; F496-V507 HydrophobicContact CZ-CG1 4.18Å; F496-V509 HydrophobicContact CZ-CG2 4.4Å; F496-L536 HydrophobicContact CB-CD2 4.04Å; F496-L536 HydrophobicContact CD1-CB 4.31Å; F496-L536 HydrophobicContact CD1-CD2 4.42Å; F496-L536 HydrophobicContact CD2-CB 4.43Å; F496-L536 HydrophobicContact CD2-CD1 3.76Å; F496-L536 HydrophobicContact CD2-CD2 4.47Å; F496-L536 HydrophobicContact CD2-CG 4.45Å; F496-L536 HydrophobicContact CE1-CB 4.21Å; F496-L536 HydrophobicContact CE2-CB 4.32Å; F496-L536 HydrophobicContact CE2-CD1 4.07Å; F496-L536 HydrophobicContact CG-CB 4.41Å; F496-L536 HydrophobicContact CG-CD1 4.2Å; F496-L536 HydrophobicContact CG-CD2 4.06Å; F496-L536 HydrophobicContact CG-CG 4.46Å; F496-L536 HydrophobicContact CZ-CB 4.21Å; F496-L547 HydrophobicContact CD1-CD2 4.19Å; F496-L547 HydrophobicContact CE1-CD2 4.28Å; F496-I549 HydrophobicContact CE1-CD1 3.65Å; F496-I549 HydrophobicContact CE1-CG1 4.15Å; F496-I549 HydrophobicContact CZ-CD1 4.22Å
497E87.5Confident89.4Confident86 Ų8641.7 Ų41.740%0.40220%0.204SC..Hα-helixtrans-62.9-38.6174.8-76.9178.317500112.7K493 K494 Y500K493-E497 WeakPolarHBondContact CE-OE1 3.4Å; K493-E497 HydrophobicContact CG-CG 4.41Å; K493-E497 IonicContact NZ-OE1 2.78Å; K493-E497 WeakPolarHBondContact O-CB 3.49Å; K493-E497 WeakPolarHBondContact O-CG 3.46Å; K493-E497 PolarHBondContact O-N 3.49Å; K494-E497 PolarHBondContact O-N 3.16Å; E497-Y500 PolarHBondContact O-N 3.09Å
498D84.7Confident89.5Confident29 Ų2940.3 Ų40.316%0.15519%0.193CC..Hα-helixtrans-69.1-39.2173.4-71.2-27.6000111.3F471 K494 I495 F496 Y500 K501F471-D498 HydrophobicContact CE2-CB 4.36Å; F471-D498 HydrophobicContact CZ-CB 3.98Å; K494-D498 WeakPolarHBondContact O-CB 3.33Å; K494-D498 PolarHBondContact O-N 3.04Å; I495-D498 PolarHBondContact O-N 3.32Å; F496-D498 VanDerWaalsContact C-N 3.33Å; F496-D498 PolarHBondContact O-N 3.28Å; D498-Y500 VanDerWaalsContact C-N 3.28Å; D498-Y500 PolarHBondContact O-N 3.28Å; D498-K501 WeakPolarHBondContact O-CB 3.33Å; D498-K501 PolarHBondContact O-N 3.36Å; D498-K501 IonicContact OD1-NZ 2.77Å; D498-K501 PolarHBondContact OD1-NZ 3.11Å
499A88.1Confident89.6Confident0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-61.8-36.2173.900000112.4F471 I495 F496 K501 S502 S505 V507 L547F471-A499 HydrophobicContact CD1-CB 4Å; F471-A499 HydrophobicContact CE1-CB 3.67Å; I495-A499 WeakPolarHBondContact O-CB 3.12Å; I495-A499 PolarHBondContact O-N 3.11Å; F496-A499 WeakPolarHBondContact O-CB 3.17Å; F496-A499 PolarHBondContact O-N 3.32Å; A499-K501 PolarHBondContact O-N 3.16Å; A499-S502 PolarHBondContact O-N 3.17Å; A499-S505 WeakPolarHBondContact O-CB 3.34Å; A499-S505 PolarHBondContact O-OG 2.79Å; A499-V507 HydrophobicContact CB-CG2 3.56Å; A499-L547 HydrophobicContact CB-CD1 4.11Å
500Y88Confident89.6Confident17 Ų1739.1 Ų39.17%0.06719%0.186CC..THydrogen-bonded Turntrans-68.5-13.6175.6-63.1-39.5000113.2F496 E497 D498 K539 P541 R545 L547F496-Y500 HydrophobicContact CB-CE2 4.08Å; F496-Y500 WeakPolarHBondContact O-CD2 3.26Å; F496-Y500 WeakPolarHBondContact O-CE2 3.41Å; F496-Y500 PolarHBondContact O-N 2.76Å; E497-Y500 PolarHBondContact O-N 3.09Å; D498-Y500 VanDerWaalsContact C-N 3.28Å; D498-Y500 PolarHBondContact O-N 3.28Å; Y500-K539 HydrophobicContact CE2-CD 4.45Å; Y500-P541 HydrophobicContact CD1-CB 3.89Å; Y500-P541 HydrophobicContact CE1-CB 4.14Å; Y500-R545 WeakPolarHBondContact O-CD 3.28Å; Y500-R545 VanDerWaalsContact O-CZ 3.24Å; Y500-R545 PolarHBondContact O-NE 2.95Å; Y500-R545 PolarHBondContact O-NH1 3.37Å; Y500-L547 HydrophobicContact CD1-CD2 4.42Å; Y500-L547 HydrophobicContact CE1-CD2 3.73Å
501K80.5Confident89.7Confident80 Ų8034.3 Ų34.335%0.34817%0.165SC..THydrogen-bonded Turntrans-79.7-24.4177.5-67168.1-170.6163.50112.4D498 A499D498-K501 WeakPolarHBondContact O-CB 3.33Å; D498-K501 PolarHBondContact O-N 3.36Å; D498-K501 IonicContact OD1-NZ 2.77Å; D498-K501 PolarHBondContact OD1-NZ 3.11Å; A499-K501 PolarHBondContact O-N 3.16Å
502S83.1Confident89.9Confident13 Ų1333.1 Ų33.19%0.09115%0.154CC..SBendtrans-85.1153.1179.6-162.50000112.1A499 L504A499-S502 PolarHBondContact O-N 3.17Å; S502-L504 PolarHBondContact OG-O 3.12Å
503Q82.6Confident89.8Confident119 Ų11934.1 Ų34.156%0.55616%0.159SC*.SBendtrans-69.2-40.9175.2-67.5-177.23.100111.8D306 R545 K546D306-Q503 PolarHBondContact OD1-NE2 3.46Å; Q503-R545 CarbonylContact O-C 3.59Å; Q503-R545 WeakPolarHBondContact O-CA 3.47Å; Q503-K546 PolarHBondContact O-N 3.4Å
504L88Confident89.8Confident33 Ų3335.7 Ų35.717%0.17316%0.162CC..EExtended strand (participates in β ladder)trans-128.1123175.8-63.4178.9000107.7K436 F469 P470 F471 S502 K546K436-L504 HydrophobicContact CG-CD1 4.35Å; F469-L504 HydrophobicContact CD1-CB 4.35Å; F469-L504 HydrophobicContact CD1-CD1 4.38Å; F469-L504 HydrophobicContact CG-CB 4.29Å; P470-L504 WeakPolarHBondContact CD-O 3.46Å; P470-L504 HydrophobicContact CG-CB 4.41Å; F471-L504 PolarHBondContact N-O 3.21Å; S502-L504 PolarHBondContact OG-O 3.12Å; L504-K546 HydrophobicContact CD2-CB 3.77Å; L504-K546 HydrophobicContact CD2-CD 3.66Å; L504-K546 HydrophobicContact CD2-CG 4.22Å
505S91.4Very high89.9Confident2 Ų229.4 Ų29.41%0.01414%0.135CC..EExtended strand (participates in β ladder)trans-135.7145.617948.40000112.9F471 A499 K546 L547 L548F471-S505 CarbonylContact O-C 3.59Å; F471-S505 VanDerWaalsContact O-CA 3.25Å; F471-S505 WeakPolarHBondContact O-CA 3.31Å; A499-S505 WeakPolarHBondContact O-CB 3.34Å; A499-S505 PolarHBondContact O-OG 2.79Å; S505-K546 PolarHBondContact N-O 3.25Å; S505-K546 PolarHBondContact OG-O 3.34Å; S505-L547 WeakPolarHBondContact O-CA 3.25Å; S505-L547 VanDerWaalsContact OG-CD1 3.31Å; S505-L547 WeakPolarHBondContact OG-CD1 3.32Å; S505-L548 PolarHBondContact O-N 3.21Å
506C92.8Very high89.9Confident0 Ų028.3 Ų28.30%013%0.129CC..EExtended strand (participates in β ladder)trans-119.7126.7170.6-1740000109.4F469 F471 I472 K473 L548F469-C506 HydrophobicContact CD2-CB 3.82Å; F471-C506 PolarHBondContact O-N 2.61Å; I472-C506 VanDerWaalsContact CA-O 3.31Å; I472-C506 WeakPolarHBondContact CA-O 3.24Å; I472-C506 HydrophobicContact CG1-CB 4.1Å; I472-C506 HydrophobicContact CG2-CB 4.38Å; K473-C506 PolarHBondContact N-O 2.87Å; C506-L548 CarbonylContact C-O 3.58Å; C506-L548 VanDerWaalsContact CA-O 3.3Å; C506-L548 WeakPolarHBondContact CA-O 3.43Å; C506-L548 HydrophobicContact CB-CB 4.49Å
507V94.3Very high89.8Confident0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-116.8119174.4178.70000108.6K473 I495 F496 A499 V509 L547 L548 I549 I550K473-V507 WeakPolarHBondContact O-CA 3.22Å; I495-V507 HydrophobicContact CG2-CG1 4.02Å; I495-V507 HydrophobicContact CG2-CG2 4.5Å; F496-V507 HydrophobicContact CE2-CG1 4.29Å; F496-V507 HydrophobicContact CZ-CG1 4.18Å; A499-V507 HydrophobicContact CB-CG2 3.56Å; V507-V509 HydrophobicContact CG1-CG2 4.23Å; V507-L547 HydrophobicContact CG2-CD1 3.89Å; V507-L548 PolarHBondContact N-O 3.12Å; V507-I549 CarbonylContact O-C 3.6Å; V507-I549 WeakPolarHBondContact O-CA 3.36Å; V507-I550 PolarHBondContact O-N 3.43Å
508V94.3Very high90Very high0 Ų030 Ų300%014%0.138CC..EExtended strand (participates in β ladder)trans-95.5118173.9-177.20000108A460 A464 K473 I474 C475 I550A460-V508 HydrophobicContact CB-CG1 3.8Å; A464-V508 HydrophobicContact CB-CG2 3.86Å; K473-V508 PolarHBondContact O-N 3.1Å; I474-V508 HydrophobicContact CG1-CB 4.27Å; I474-V508 HydrophobicContact CG2-CB 4.44Å; C475-V508 WeakPolarHBondContact CB-O 3.4Å; C475-V508 PolarHBondContact N-O 3.09Å; V508-I550 CarbonylContact C-O 3.49Å; V508-I550 VanDerWaalsContact CA-O 3.3Å; V508-I550 WeakPolarHBondContact CA-O 3.34Å; V508-I550 HydrophobicContact CG2-CB 4.39Å
509V95Very high90.2Very high4 Ų431.5 Ų31.52%0.02415%0.148CC..EExtended strand (participates in β ladder)trans-100103174-175.90000107.5F496 V507 I512 L515 L533 I549 I550 G551 T552F496-V509 HydrophobicContact CZ-CG2 4.4Å; V507-V509 HydrophobicContact CG1-CG2 4.23Å; V509-I512 HydrophobicContact CG1-CG1 3.94Å; V509-L515 HydrophobicContact CG1-CD1 3.46Å; V509-L515 VanDerWaalsContact CG1-CD1 3.46Å; V509-L533 HydrophobicContact CG1-CD2 4.42Å; V509-I549 HydrophobicContact CG2-CG2 4.19Å; V509-I550 PolarHBondContact N-O 3.18Å; V509-G551 CarbonylContact O-C 3.46Å; V509-G551 WeakPolarHBondContact O-CA 3.38Å; V509-T552 PolarHBondContact O-N 2.8Å
510D93.5Very high90.1Very high7 Ų734.9 Ų34.94%0.03717%0.17CC..  trans-91.6143.5-172.4-169.142.5000112.2T457 C475 P477 I512 T552T457-D510 VanDerWaalsContact CB-OD1 3.31Å; T457-D510 WeakPolarHBondContact CB-OD1 3.49Å; T457-D510 HydrophobicContact CG2-CB 4.46Å; T457-D510 WeakPolarHBondContact CG2-OD1 3.29Å; T457-D510 VanDerWaalsContact CG2-OD2 3.26Å; T457-D510 WeakPolarHBondContact CG2-OD2 3.35Å; T457-D510 PolarHBondContact OG1-OD1 3.16Å; C475-D510 PolarHBondContact O-N 2.93Å; P477-D510 WeakPolarHBondContact CD-O 3.33Å; D510-I512 PolarHBondContact O-N 2.7Å; D510-T552 WeakPolarHBondContact CA-OG1 3.04Å; D510-T552 PolarHBondContact OD1-OG1 2.8Å
511D92.9Very high89.9Confident26 Ų2640.9 Ų40.914%0.13920%0.201CC..  trans41.167.5179.2-84.3-8.9000112.1P477 E513 R514 L515 T552P477-D511 HydrophobicContact CG-CB 4.29Å; D511-E513 PolarHBondContact O-N 2.88Å; D511-E513 VanDerWaalsContact O-N 3.13Å; D511-R514 HydrophobicContact CB-CB 4.06Å; D511-R514 HydrophobicContact CB-CG 4.02Å; D511-R514 WeakPolarHBondContact O-CA 3.4Å; D511-R514 WeakPolarHBondContact O-CB 3.28Å; D511-R514 PolarHBondContact O-N 3.44Å; D511-R514 WeakPolarHBondContact OD2-CD 3.36Å; D511-R514 IonicContact OD2-CZ 3.41Å; D511-R514 IonicContact OD2-NE 2.72Å; D511-R514 PolarHBondContact OD2-NE 2.78Å; D511-L515 PolarHBondContact O-N 2.92Å; D511-L515 VanDerWaalsContact O-N 3.11Å; D511-T552 PolarHBondContact N-OG1 2.63Å
512I93.8Very high89.6Confident3 Ų339.4 Ų39.42%0.01521%0.209CC..Hα-helixtrans-52.3-41-175.9-67.7171.2000111.5L447 V509 D510 R514 L515 L516 T552 L559 M564 F568L447-I512 HydrophobicContact CD1-CD1 3.88Å; V509-I512 HydrophobicContact CG1-CG1 3.94Å; D510-I512 PolarHBondContact O-N 2.7Å; I512-R514 PolarHBondContact O-N 2.98Å; I512-L515 PolarHBondContact O-N 3.33Å; I512-L516 HydrophobicContact CG2-CD1 3.89Å; I512-L516 HydrophobicContact CG2-CG 4.31Å; I512-L516 VanDerWaalsContact O-CG 3.32Å; I512-L516 WeakPolarHBondContact O-CG 3.47Å; I512-L516 PolarHBondContact O-N 2.87Å; I512-T552 WeakPolarHBondContact CG1-O 3.21Å; I512-T552 PolarHBondContact N-O 2.79Å; I512-L559 HydrophobicContact CD1-CD2 4.25Å; I512-L559 HydrophobicContact CG2-CD2 4.42Å; I512-M564 HydrophobicContact CD1-SD 4.46Å; I512-M564 HydrophobicContact CG2-SD 3.61Å; I512-F568 HydrophobicContact CD1-CE2 4.19Å; I512-F568 HydrophobicContact CD1-CZ 3.87Å
513E91.4Very high89.5Confident22 Ų2243.1 Ų43.110%0.10323%0.233CC..Hα-helixtrans-58.6-33.8176.657.8-93.1-149.700113.6D511 D517 Y518 T553 S554D511-E513 PolarHBondContact O-N 2.88Å; D511-E513 VanDerWaalsContact O-N 3.13Å; E513-D517 PolarHBondContact O-N 2.79Å; E513-Y518 WeakPolarHBondContact O-CB 3.38Å; E513-Y518 PolarHBondContact O-N 3.1Å; E513-T553 VanDerWaalsContact OE2-CA 3.32Å; E513-T553 WeakPolarHBondContact OE2-CA 3.07Å; E513-T553 WeakPolarHBondContact OE2-CB 3.33Å; E513-T553 PolarHBondContact OE2-OG1 2.96Å; E513-S554 WeakPolarHBondContact OE1-CA 3.25Å; E513-S554 WeakPolarHBondContact OE1-CB 3.36Å; E513-S554 PolarHBondContact OE1-N 3.04Å; E513-S554 PolarHBondContact OE1-OG 2.82Å; E513-S554 PolarHBondContact OE2-N 2.84Å
514R91.4Very high89.8Confident151 Ų15145.9 Ų45.957%0.5724%0.238SC*.Hα-helixtrans-78.9-35.9177.5-66.5-175.2179.6-156.3-2.3111.5P477 D511 I512 L516 D517P477-R514 HydrophobicContact CB-CB 4.19Å; P477-R514 HydrophobicContact CG-CB 3.7Å; D511-R514 HydrophobicContact CB-CB 4.06Å; D511-R514 HydrophobicContact CB-CG 4.02Å; D511-R514 WeakPolarHBondContact O-CA 3.4Å; D511-R514 WeakPolarHBondContact O-CB 3.28Å; D511-R514 PolarHBondContact O-N 3.44Å; D511-R514 WeakPolarHBondContact OD2-CD 3.36Å; D511-R514 IonicContact OD2-CZ 3.41Å; D511-R514 IonicContact OD2-NE 2.72Å; D511-R514 PolarHBondContact OD2-NE 2.78Å; I512-R514 PolarHBondContact O-N 2.98Å; R514-L516 PolarHBondContact O-N 2.87Å; R514-D517 PolarHBondContact O-N 3.03Å; R514-D517 VanDerWaalsContact O-N 3.13Å
515L92Very high89.9Confident2 Ų248 Ų481%0.0125%0.246CC..Hα-helixtrans-60.7-37.7173.1-75.2174.8000111.6P477 M480 V509 D511 I512 D517P477-L515 HydrophobicContact CB-CD2 4.12Å; P477-L515 HydrophobicContact CG-CD2 3.93Å; P477-L515 HydrophobicContact CG-CG 3.92Å; M480-L515 HydrophobicContact SD-CD2 4.24Å; V509-L515 HydrophobicContact CG1-CD1 3.46Å; V509-L515 VanDerWaalsContact CG1-CD1 3.46Å; D511-L515 PolarHBondContact O-N 2.92Å; D511-L515 VanDerWaalsContact O-N 3.11Å; I512-L515 PolarHBondContact O-N 3.33Å; L515-D517 VanDerWaalsContact C-N 3.26Å; L515-D517 PolarHBondContact O-N 3.02Å
516L91.3Very high89.9Confident1 Ų148 Ų481%0.00525%0.246CC..THydrogen-bonded Turntrans-78.9-1.1177.2-63.5177.4000114.1I512 R514 Y518 F525 S526 V529 L530 L533 M562I512-L516 HydrophobicContact CG2-CD1 3.89Å; I512-L516 HydrophobicContact CG2-CG 4.31Å; I512-L516 VanDerWaalsContact O-CG 3.32Å; I512-L516 WeakPolarHBondContact O-CG 3.47Å; I512-L516 PolarHBondContact O-N 2.87Å; R514-L516 PolarHBondContact O-N 2.87Å; L516-Y518 PolarHBondContact O-N 2.85Å; L516-F525 CarbonylContact O-C 3.54Å; L516-F525 WeakPolarHBondContact O-CA 3.43Å; L516-S526 PolarHBondContact O-N 3.44Å; L516-V529 HydrophobicContact CD2-CB 4.09Å; L516-V529 HydrophobicContact CD2-CG1 3.92Å; L516-L530 HydrophobicContact CD1-CD1 3.98Å; L516-L530 HydrophobicContact CD2-CB 3.83Å; L516-L530 HydrophobicContact CD2-CD1 4.28Å; L516-L533 HydrophobicContact CD2-CD1 4.23Å; L516-M562 HydrophobicContact CD1-SD 4.01Å
517D90.1Very high89.9Confident78 Ų7852.1 Ų52.142%0.41727%0.268SS..THydrogen-bonded Turntrans51.437.9-172.6-58.2-48.4000112.8K488 E513 R514 L515 V519K488-D517 IonicContact NZ-OD1 3.99Å; K488-D517 PolarHBondContact NZ-OD1 3Å; K488-D517 IonicContact NZ-OD2 3.92Å; K488-D517 PolarHBondContact NZ-OD2 3.33Å; E513-D517 PolarHBondContact O-N 2.79Å; R514-D517 PolarHBondContact O-N 3.03Å; R514-D517 VanDerWaalsContact O-N 3.13Å; L515-D517 VanDerWaalsContact C-N 3.26Å; L515-D517 PolarHBondContact O-N 3.02Å; D517-V519 PolarHBondContact O-N 3.03Å
518Y90.6Very high89.9Confident43 Ų4356 Ų5617%0.16929%0.289CS..  trans-67.6128.5-175.6176.8-102.3000111.9E513 L516 P520 P523 R524 F525 V558 M562E513-Y518 WeakPolarHBondContact O-CB 3.38Å; E513-Y518 PolarHBondContact O-N 3.1Å; L516-Y518 PolarHBondContact O-N 2.85Å; Y518-P520 HydrophobicContact CE1-CB 4.32Å; Y518-P523 HydrophobicContact CE2-CB 4.32Å; Y518-R524 WeakPolarHBondContact CA-O 3.42Å; Y518-F525 HydrophobicContact CD2-CB 4.35Å; Y518-V558 HydrophobicContact CD1-CG1 4.16Å; Y518-V558 HydrophobicContact CD1-CG2 4.44Å; Y518-V558 HydrophobicContact CD2-CG1 3.8Å; Y518-V558 HydrophobicContact CE1-CB 4.42Å; Y518-V558 HydrophobicContact CE1-CG1 3.93Å; Y518-V558 HydrophobicContact CE1-CG2 3.64Å; Y518-V558 HydrophobicContact CE2-CG1 3.56Å; Y518-V558 HydrophobicContact CE2-CG2 4.41Å; Y518-V558 HydrophobicContact CG-CG1 4.09Å; Y518-M562 HydrophobicContact CD2-CE 3.72Å; Y518-M562 HydrophobicContact CE2-CE 4.06Å
519V89.7Confident89.9Confident60 Ų6056 Ų5636%0.36429%0.289SS..BIsolated β-bridgetrans-124.5128.4174.5-1800000109.8D517 I521 R524D517-V519 PolarHBondContact O-N 3.03Å; V519-I521 VanDerWaalsContact C-N 3.34Å; V519-I521 HydrophobicContact CG1-CB 4.45Å; V519-I521 PolarHBondContact O-N 3.33Å; V519-R524 PolarHBondContact N-O 3.26Å; V519-R524 PolarHBondContact O-N 3.17Å
520P84.8Confident89.8Confident71 Ų7156.2 Ų56.246%0.46129%0.289SS..THydrogen-bonded Turntrans-73.1-21.4-176.328.6-35.4000114.1Y518 G522Y518-P520 HydrophobicContact CE1-CB 4.32Å; P520-G522 PolarHBondContact O-N 3.47Å
521I84.3Confident89.8Confident143 Ų14360.4 Ų60.473%0.73331%0.309SS*.THydrogen-bonded Turntrans-83.598.6179.7-58174.6000109V519V519-I521 VanDerWaalsContact C-N 3.34Å; V519-I521 HydrophobicContact CG1-CB 4.45Å; V519-I521 PolarHBondContact O-N 3.33Å
522G75.3Confident89.8Confident49 Ų4960.5 Ų60.551%0.50531%0.313SS..THydrogen-bonded Turntrans6590.1-172.400000108.8P520 R524P520-G522 PolarHBondContact O-N 3.47Å; G522-R524 WeakPolarHBondContact O-CG 3.44Å; G522-R524 PolarHBondContact O-N 3.28Å
523P80Confident89.8Confident91 Ų9160.6 Ų60.659%0.59131%0.314SS*.THydrogen-bonded Turntrans-5399.5-161.421.5-33.6000110.7Y518Y518-P523 HydrophobicContact CE2-CB 4.32Å
524R88.6Confident89.9Confident177 Ų17760.8 Ų60.867%0.66832%0.315SS*.BIsolated β-bridgetrans-111.5131.5177.8-80.4-174.4-65.7-175.32.8107Y518 V519 G522Y518-R524 WeakPolarHBondContact CA-O 3.42Å; V519-R524 PolarHBondContact N-O 3.26Å; V519-R524 PolarHBondContact O-N 3.17Å; G522-R524 WeakPolarHBondContact O-CG 3.44Å; G522-R524 PolarHBondContact O-N 3.28Å
525F90.8Very high90.1Very high79 Ų7958 Ų5835%0.34632%0.315SS..  trans-154.6159.1177.658.6-89.1000109L516 Y518 N527 L530 M562L516-F525 CarbonylContact O-C 3.54Å; L516-F525 WeakPolarHBondContact O-CA 3.43Å; Y518-F525 HydrophobicContact CD2-CB 4.35Å; F525-N527 HydrophobicContact CE2-CB 4.11Å; F525-N527 PolarHBondContact O-N 2.95Å; F525-L530 HydrophobicContact CD2-CD2 4.2Å; F525-L530 HydrophobicContact CE2-CD2 3.66Å; F525-L530 HydrophobicContact CZ-CD2 4.47Å; F525-M562 HydrophobicContact CB-CE 4.19Å; F525-M562 HydrophobicContact CD1-CE 3.69Å; F525-M562 HydrophobicContact CD2-CE 4.28Å; F525-M562 HydrophobicContact CE1-CE 4.08Å; F525-M562 HydrophobicContact CG-CE 3.8Å
526S92.1Very high90.1Very high1 Ų158.7 Ų58.71%0.00732%0.318CS..  trans-78.598.5174.7-169.80000110.7E485 L516 L528 V529 L530E485-S526 VanDerWaalsContact CG-OG 3.23Å; E485-S526 WeakPolarHBondContact CG-OG 3.07Å; E485-S526 WeakPolarHBondContact OE1-CA 3.43Å; E485-S526 VanDerWaalsContact OE1-CB 3.26Å; E485-S526 WeakPolarHBondContact OE1-CB 3.26Å; E485-S526 PolarHBondContact OE1-OG 3.28Å; L516-S526 PolarHBondContact O-N 3.44Å; S526-L528 PolarHBondContact O-N 3.06Å; S526-V529 PolarHBondContact O-N 3.44Å; S526-V529 WeakPolarHBondContact OG-CG2 3Å; S526-L530 PolarHBondContact O-N 3.42Å; S526-L530 VanDerWaalsContact O-N 3.1Å
527N91.5Very high90.2Very high86 Ų8659 Ų5946%0.4632%0.32SS..Hα-helixtrans-63-32.3177.9-173.335.6000112F525 V529 L530 Q531F525-N527 HydrophobicContact CE2-CB 4.11Å; F525-N527 PolarHBondContact O-N 2.95Å; N527-V529 VanDerWaalsContact C-N 3.35Å; N527-V529 PolarHBondContact O-N 2.9Å; N527-L530 WeakPolarHBondContact O-CB 3.33Å; N527-L530 PolarHBondContact O-N 2.94Å; N527-Q531 WeakPolarHBondContact O-CG 3.39Å; N527-Q531 PolarHBondContact O-N 2.99Å; N527-Q531 PolarHBondContact OD1-NE2 3.41Å
528L94.1Very high90.2Very high83 Ų8361.8 Ų61.844%0.43533%0.328SS..Hα-helixtrans-61-45.5178-175.966.2000111.4E485 I486 S526 A532E485-L528 HydrophobicContact CB-CB 4.49Å; E485-L528 HydrophobicContact CB-CD2 4.04Å; I486-L528 HydrophobicContact CG1-CD2 3.91Å; S526-L528 PolarHBondContact O-N 3.06Å; L528-A532 WeakPolarHBondContact O-CB 3.02Å; L528-A532 PolarHBondContact O-N 3.3Å; L528-A532 VanDerWaalsContact O-N 3.09Å
529V94.2Very high90.3Very high0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-68-39.2177.8-178.10000110.8E485 K488 I492 L516 S526 N527 A532 L533E485-V529 HydrophobicContact CB-CG2 4.49Å; K488-V529 HydrophobicContact CB-CG2 4.15Å; K488-V529 HydrophobicContact CD-CG2 4.48Å; I492-V529 HydrophobicContact CD1-CG1 3.87Å; L516-V529 HydrophobicContact CD2-CB 4.09Å; L516-V529 HydrophobicContact CD2-CG1 3.92Å; S526-V529 PolarHBondContact O-N 3.44Å; S526-V529 WeakPolarHBondContact OG-CG2 3Å; N527-V529 VanDerWaalsContact C-N 3.35Å; N527-V529 PolarHBondContact O-N 2.9Å; V529-A532 PolarHBondContact O-N 2.91Å; V529-L533 HydrophobicContact CG1-CD1 4.12Å; V529-L533 PolarHBondContact O-N 3.48Å
530L93.8Very high90.3Very high7 Ų765.8 Ų65.84%0.03735%0.351CS..Hα-helixtrans-57.7-53.3176.1179.966.5000111.7L516 F525 S526 N527 A532 L533 L534 M562 M564L516-L530 HydrophobicContact CD1-CD1 3.98Å; L516-L530 HydrophobicContact CD2-CB 3.83Å; L516-L530 HydrophobicContact CD2-CD1 4.28Å; F525-L530 HydrophobicContact CD2-CD2 4.2Å; F525-L530 HydrophobicContact CE2-CD2 3.66Å; F525-L530 HydrophobicContact CZ-CD2 4.47Å; S526-L530 PolarHBondContact O-N 3.42Å; S526-L530 VanDerWaalsContact O-N 3.1Å; N527-L530 WeakPolarHBondContact O-CB 3.33Å; N527-L530 PolarHBondContact O-N 2.94Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.3Å; L530-L533 PolarHBondContact O-N 3.07Å; L530-L534 HydrophobicContact CG-CD1 4.26Å; L530-L534 WeakPolarHBondContact O-CG 3.29Å; L530-L534 PolarHBondContact O-N 3.06Å; L530-M562 HydrophobicContact CD1-CB 4.29Å; L530-M562 HydrophobicContact CD1-SD 4.25Å; L530-M562 HydrophobicContact CD2-CB 4.34Å; L530-M562 HydrophobicContact CD2-CG 4.39Å; L530-M562 HydrophobicContact CD2-SD 4.47Å; L530-M564 HydrophobicContact CD1-CE 3.49Å; L530-M564 VanDerWaalsContact CD1-CE 3.49Å; L530-M564 HydrophobicContact CD1-SD 4.46Å
531Q93.5Very high90.6Very high95 Ų9563 Ų6344%0.44433%0.333SS..Hα-helixtrans-62.8-39.9-179.9-65.3-57-39.900111.7N527 L533 L534 V535N527-Q531 WeakPolarHBondContact O-CG 3.39Å; N527-Q531 PolarHBondContact O-N 2.99Å; N527-Q531 PolarHBondContact OD1-NE2 3.41Å; Q531-L533 PolarHBondContact O-N 3.11Å; Q531-L534 PolarHBondContact O-N 3.42Å; Q531-V535 WeakPolarHBondContact O-CG2 3.29Å; Q531-V535 PolarHBondContact O-N 3.06Å; Q531-V535 VanDerWaalsContact O-N 3.08Å
532A93.6Very high90.7Very high29 Ų2959 Ų5924%0.2432%0.316CS..Hα-helixtrans-60.6-45.4175.600000111.8L528 V529 L530 V535 L536L528-A532 WeakPolarHBondContact O-CB 3.02Å; L528-A532 PolarHBondContact O-N 3.3Å; L528-A532 VanDerWaalsContact O-N 3.09Å; V529-A532 PolarHBondContact O-N 2.91Å; L530-A532 VanDerWaalsContact C-N 3.32Å; L530-A532 PolarHBondContact O-N 3.3Å; A532-V535 PolarHBondContact O-N 3.45Å; A532-L536 WeakPolarHBondContact O-CB 3.38Å; A532-L536 VanDerWaalsContact O-CG 3.23Å; A532-L536 WeakPolarHBondContact O-CG 3.48Å; A532-L536 PolarHBondContact O-N 3.21Å
533L93.6Very high91.1Very high4 Ų466.9 Ų66.92%0.02134%0.336CS..Hα-helixtrans-65.3-43.6177.4-79.8170.2000112.3I492 V509 L516 V529 L530 Q531 V535 L536 L537 M564I492-L533 HydrophobicContact CD1-CD2 4.44Å; I492-L533 HydrophobicContact CD1-CG 4.46Å; I492-L533 HydrophobicContact CG2-CD2 4Å; V509-L533 HydrophobicContact CG1-CD2 4.42Å; L516-L533 HydrophobicContact CD2-CD1 4.23Å; V529-L533 HydrophobicContact CG1-CD1 4.12Å; V529-L533 PolarHBondContact O-N 3.48Å; L530-L533 PolarHBondContact O-N 3.07Å; Q531-L533 PolarHBondContact O-N 3.11Å; L533-V535 VanDerWaalsContact C-N 3.28Å; L533-V535 PolarHBondContact O-N 3.43Å; L533-L536 PolarHBondContact O-N 3.32Å; L533-L536 VanDerWaalsContact O-N 3.11Å; L533-L537 WeakPolarHBondContact O-CB 3.38Å; L533-L537 VanDerWaalsContact O-CG 3.29Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.47Å; L533-M564 HydrophobicContact CB-CE 3.85Å; L533-M564 HydrophobicContact CD1-CE 4.38Å
534L93.4Very high91.2Very high26 Ų2666 Ų6614%0.13634%0.344CS..Hα-helixtrans-58.6-40.6177-72.9175.1000112.2L530 Q531 K538 M564 A567L530-L534 HydrophobicContact CG-CD1 4.26Å; L530-L534 WeakPolarHBondContact O-CG 3.29Å; L530-L534 PolarHBondContact O-N 3.06Å; Q531-L534 PolarHBondContact O-N 3.42Å; L534-K538 PolarHBondContact O-N 3.06Å; L534-M564 HydrophobicContact CD2-CB 4.14Å; L534-M564 HydrophobicContact CD2-CE 4.21Å; L534-M564 HydrophobicContact CD2-CG 4.2Å; L534-M564 HydrophobicContact CG-CE 4.33Å; L534-A567 HydrophobicContact CD2-CB 3.91Å
535V93.9Very high91.2Very high92 Ų9260.3 Ų60.356%0.55832%0.322SS*.Hα-helixtrans-66.3-43.6175.2172.40000110.9Q531 A532 L533 K538 K539Q531-V535 WeakPolarHBondContact O-CG2 3.29Å; Q531-V535 PolarHBondContact O-N 3.06Å; Q531-V535 VanDerWaalsContact O-N 3.08Å; A532-V535 PolarHBondContact O-N 3.45Å; L533-V535 VanDerWaalsContact C-N 3.28Å; L533-V535 PolarHBondContact O-N 3.43Å; V535-K538 PolarHBondContact O-N 3.2Å; V535-K539 VanDerWaalsContact O-CB 3.3Å; V535-K539 WeakPolarHBondContact O-CB 3.45Å; V535-K539 PolarHBondContact O-N 2.85Å
536L93.8Very high91.3Very high17 Ų1758 Ų589%0.08931%0.312CS..Hα-helixtrans-68.6-35-178.8-70.2169.6000112.9I492 F496 A532 L533 K538 K539I492-L536 HydrophobicContact CG2-CD1 3.59Å; F496-L536 HydrophobicContact CB-CD2 4.04Å; F496-L536 HydrophobicContact CD1-CB 4.31Å; F496-L536 HydrophobicContact CD1-CD2 4.42Å; F496-L536 HydrophobicContact CD2-CB 4.43Å; F496-L536 HydrophobicContact CD2-CD1 3.76Å; F496-L536 HydrophobicContact CD2-CD2 4.47Å; F496-L536 HydrophobicContact CD2-CG 4.45Å; F496-L536 HydrophobicContact CE1-CB 4.21Å; F496-L536 HydrophobicContact CE2-CB 4.32Å; F496-L536 HydrophobicContact CE2-CD1 4.07Å; F496-L536 HydrophobicContact CG-CB 4.41Å; F496-L536 HydrophobicContact CG-CD1 4.2Å; F496-L536 HydrophobicContact CG-CD2 4.06Å; F496-L536 HydrophobicContact CG-CG 4.46Å; F496-L536 HydrophobicContact CZ-CB 4.21Å; A532-L536 WeakPolarHBondContact O-CB 3.38Å; A532-L536 VanDerWaalsContact O-CG 3.23Å; A532-L536 WeakPolarHBondContact O-CG 3.48Å; A532-L536 PolarHBondContact O-N 3.21Å; L533-L536 PolarHBondContact O-N 3.32Å; L533-L536 VanDerWaalsContact O-N 3.11Å; L536-K538 VanDerWaalsContact C-N 3.26Å; L536-K538 PolarHBondContact O-N 3.26Å; L536-K539 PolarHBondContact O-N 2.72Å
537L92.2Very high91.4Very high8 Ų857.9 Ų57.94%0.04231%0.312CS..Hα-helixtrans-66.6-25.3175.5-72.6170.8000113.2L443 L533 I549 M564 A567 F568L443-L537 VanDerWaalsContact CD2-O 3.27Å; L443-L537 WeakPolarHBondContact CD2-O 3.46Å; L533-L537 WeakPolarHBondContact O-CB 3.38Å; L533-L537 VanDerWaalsContact O-CG 3.29Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.47Å; L537-I549 HydrophobicContact CD2-CB 4.45Å; L537-I549 HydrophobicContact CD2-CD1 3.97Å; L537-I549 HydrophobicContact CD2-CG2 3.8Å; L537-M564 HydrophobicContact CD1-CE 4.46Å; L537-M564 HydrophobicContact CD1-CG 4.35Å; L537-A567 HydrophobicContact CB-CB 4.29Å; L537-A567 HydrophobicContact CD1-CB 4.14Å; L537-F568 HydrophobicContact CD1-CD2 4.43Å; L537-F568 HydrophobicContact CD1-CE1 4.37Å; L537-F568 HydrophobicContact CD1-CE2 3.81Å; L537-F568 HydrophobicContact CD1-CZ 3.76Å; L537-F568 HydrophobicContact CD2-CD1 4.34Å; L537-F568 HydrophobicContact CD2-CE1 3.66Å; L537-F568 HydrophobicContact CD2-CZ 3.79Å; L537-F568 HydrophobicContact CG-CZ 4.46Å
538K90.9Very high91.6Very high136 Ų13653.9 Ų53.959%0.59129%0.29SS*.Hα-helixtrans-101.4-12179.6-67-179-179.3178.20113.5L534 V535 L536 P540L534-K538 PolarHBondContact O-N 3.06Å; V535-K538 PolarHBondContact O-N 3.2Å; L536-K538 VanDerWaalsContact C-N 3.26Å; L536-K538 PolarHBondContact O-N 3.26Å; K538-P540 VanDerWaalsContact O-CD 3.29Å; K538-P540 WeakPolarHBondContact O-CD 3.29Å
539K92Very high91.7Very high99 Ų9949.9 Ų49.943%0.4327%0.269SS..  trans-76.9114.6-175-177.4175.8178.8-179.10110.4Y500 V535 L536Y500-K539 HydrophobicContact CE2-CD 4.45Å; V535-K539 VanDerWaalsContact O-CB 3.3Å; V535-K539 WeakPolarHBondContact O-CB 3.45Å; V535-K539 PolarHBondContact O-N 2.85Å; L536-K539 PolarHBondContact O-N 2.72Å
540P89.4Confident91.8Very high88 Ų8850.1 Ų50.157%0.57127%0.27SS*.PPolyproline II helixtrans-69.1143.6177.628.8-34000110.9K538K538-P540 VanDerWaalsContact O-CD 3.29Å; K538-P540 WeakPolarHBondContact O-CD 3.29Å
541P90.6Very high91.9Very high13 Ų1349.8 Ų49.88%0.08427%0.269CS..PPolyproline II helixtrans-66.5161.2173.629.5-35.9000111.5P442 Y500 R545 L547P442-P541 HydrophobicContact CB-CG 4.03Å; Y500-P541 HydrophobicContact CD1-CB 3.89Å; Y500-P541 HydrophobicContact CE1-CB 4.14Å; P541-R545 HydrophobicContact CB-CB 4.29Å; P541-R545 WeakPolarHBondContact CG-O 3.47Å; P541-L547 HydrophobicContact CG-CB 4.33Å
542P87.4Confident92Very high60 Ų6045.2 Ų45.239%0.3925%0.247SC..SBendtrans-55.3155.6172.7-23.633.8000112.8G544 R545P542-G544 PolarHBondContact O-N 3.11Å; P542-R545 WeakPolarHBondContact O-CB 3.38Å; P542-R545 PolarHBondContact O-N 3.45Å; P542-R545 VanDerWaalsContact O-N 3.1Å
543K82.9Confident92Very high213 Ų21343.9 Ų43.993%0.92624%0.236SC*.THydrogen-bonded Turntrans-52.6133.4-176.4-68-174.6177.5-177.60111.9R545K543-R545 VanDerWaalsContact C-N 3.3Å
544G83.1Confident92Very high72 Ų7245.1 Ų45.174%0.74225%0.245SC*.THydrogen-bonded Turntrans80.93.5178.900000115P542P542-G544 PolarHBondContact O-N 3.11Å
545R88.4Confident91.8Very high59 Ų5949.4 Ų49.422%0.22326%0.26CS..  trans-113.2143.9175.9-53.9-172.8-179.8159.4-3.4109.8E301 Y500 Q503 P541 P542 K543E301-R545 IonicContact OE1-NH2 3.7Å; E301-R545 IonicContact OE2-NH2 3.43Å; Y500-R545 WeakPolarHBondContact O-CD 3.28Å; Y500-R545 VanDerWaalsContact O-CZ 3.24Å; Y500-R545 PolarHBondContact O-NE 2.95Å; Y500-R545 PolarHBondContact O-NH1 3.37Å; Q503-R545 CarbonylContact O-C 3.59Å; Q503-R545 WeakPolarHBondContact O-CA 3.47Å; P541-R545 HydrophobicContact CB-CB 4.29Å; P541-R545 WeakPolarHBondContact CG-O 3.47Å; P542-R545 WeakPolarHBondContact O-CB 3.38Å; P542-R545 PolarHBondContact O-N 3.45Å; P542-R545 VanDerWaalsContact O-N 3.1Å; K543-R545 VanDerWaalsContact C-N 3.3Å
546K92.2Very high91.7Very high29 Ų2950.6 Ų50.613%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-127.2137.3-174.7-59.5161.5170.2-142.70109.6T435 K436 S438 D439 P442 Q503 L504 S505T435-K546 HydrophobicContact CG2-CB 4.08Å; T435-K546 VanDerWaalsContact O-CD 3.3Å; T435-K546 WeakPolarHBondContact O-CD 3.4Å; K436-K546 PolarHBondContact O-NZ 2.77Å; S438-K546 WeakPolarHBondContact O-CE 3.22Å; S438-K546 PolarHBondContact O-NZ 3.06Å; D439-K546 WeakPolarHBondContact OD1-CE 3.48Å; D439-K546 IonicContact OD1-NZ 3.66Å; D439-K546 PolarHBondContact OD1-NZ 2.95Å; P442-K546 CarbonylContact O-C 3.51Å; P442-K546 VanDerWaalsContact O-CA 3.31Å; P442-K546 WeakPolarHBondContact O-CA 3.5Å; Q503-K546 PolarHBondContact O-N 3.4Å; L504-K546 HydrophobicContact CD2-CB 3.77Å; L504-K546 HydrophobicContact CD2-CD 3.66Å; L504-K546 HydrophobicContact CD2-CG 4.22Å; S505-K546 PolarHBondContact N-O 3.25Å; S505-K546 PolarHBondContact OG-O 3.34Å
547L94.8Very high91.6Very high0 Ų055.3 Ų55.30%028%0.279CS..EExtended strand (participates in β ladder)trans-131.2126-173.317864000110.7P442 L443 V444 F496 A499 Y500 S505 V507 P541 I549P442-L547 PolarHBondContact O-N 3.27Å; L443-L547 WeakPolarHBondContact CA-O 3.47Å; L443-L547 HydrophobicContact CD1-CB 3.95Å; L443-L547 HydrophobicContact CD1-CD2 3.76Å; L443-L547 HydrophobicContact CD1-CG 3.89Å; V444-L547 PolarHBondContact N-O 3.44Å; F496-L547 HydrophobicContact CD1-CD2 4.19Å; F496-L547 HydrophobicContact CE1-CD2 4.28Å; A499-L547 HydrophobicContact CB-CD1 4.11Å; Y500-L547 HydrophobicContact CD1-CD2 4.42Å; Y500-L547 HydrophobicContact CE1-CD2 3.73Å; S505-L547 WeakPolarHBondContact O-CA 3.25Å; S505-L547 VanDerWaalsContact OG-CD1 3.31Å; S505-L547 WeakPolarHBondContact OG-CD1 3.32Å; V507-L547 HydrophobicContact CG2-CD1 3.89Å; P541-L547 HydrophobicContact CG-CB 4.33Å; L547-I549 HydrophobicContact CD2-CD1 4.1Å; L547-I549 HydrophobicContact CD2-CG1 4.04Å; L547-I549 HydrophobicContact CG-CG1 3.97Å
548L95.5Very high91.5Very high1 Ų155.5 Ų55.51%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-103.1127.6167.4178.462.7000109V432 T435 V444 V446 F469 S505 C506 V507 I550V432-L548 HydrophobicContact CG2-CD2 3.74Å; T435-L548 HydrophobicContact CG2-CB 4.2Å; V444-L548 HydrophobicContact CB-CD1 4.08Å; V444-L548 HydrophobicContact CG1-CD1 4.03Å; V444-L548 CarbonylContact O-C 3.48Å; V444-L548 WeakPolarHBondContact O-CA 3.36Å; V446-L548 HydrophobicContact CG2-CD1 4.03Å; F469-L548 HydrophobicContact CE2-CB 3.88Å; F469-L548 HydrophobicContact CE2-CD2 4.09Å; S505-L548 PolarHBondContact O-N 3.21Å; C506-L548 CarbonylContact C-O 3.58Å; C506-L548 VanDerWaalsContact CA-O 3.3Å; C506-L548 WeakPolarHBondContact CA-O 3.43Å; C506-L548 HydrophobicContact CB-CB 4.49Å; V507-L548 PolarHBondContact N-O 3.12Å; L548-I550 HydrophobicContact CD2-CD1 4.27Å; L548-I550 HydrophobicContact CD2-CG1 4.41Å; L548-I550 HydrophobicContact CG-CG1 4.17Å
549I96.5Very high91.4Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-113.9126.2174.4-53.4172.4000108.3L443 V444 S445 V446 F496 V507 V509 L537 L547L443-I549 HydrophobicContact CD1-CD1 3.75Å; L443-I549 HydrophobicContact CD1-CG1 4.16Å; V444-I549 PolarHBondContact O-N 3.38Å; S445-I549 CarbonylContact C-O 3.54Å; S445-I549 WeakPolarHBondContact CA-O 3.4Å; V446-I549 PolarHBondContact N-O 3.47Å; F496-I549 HydrophobicContact CE1-CD1 3.65Å; F496-I549 HydrophobicContact CE1-CG1 4.15Å; F496-I549 HydrophobicContact CZ-CD1 4.22Å; V507-I549 CarbonylContact O-C 3.6Å; V507-I549 WeakPolarHBondContact O-CA 3.36Å; V509-I549 HydrophobicContact CG2-CG2 4.19Å; L537-I549 HydrophobicContact CD2-CB 4.45Å; L537-I549 HydrophobicContact CD2-CD1 3.97Å; L537-I549 HydrophobicContact CD2-CG2 3.8Å; L547-I549 HydrophobicContact CD2-CD1 4.1Å; L547-I549 HydrophobicContact CD2-CG1 4.04Å; L547-I549 HydrophobicContact CG-CG1 3.97Å
550I96.1Very high91.4Very high4 Ų450 Ų502%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-116.3110.4175-53.3175.9000108V446 L448 A460 I463 V507 V508 V509 L548V446-I550 CarbonylContact O-C 3.56Å; V446-I550 WeakPolarHBondContact O-CA 3.22Å; L448-I550 HydrophobicContact CD1-CG2 3.56Å; L448-I550 HydrophobicContact CG-CG2 4.1Å; A460-I550 HydrophobicContact CB-CG2 3.75Å; I463-I550 HydrophobicContact CB-CD1 4.26Å; I463-I550 HydrophobicContact CG2-CD1 3.91Å; V507-I550 PolarHBondContact O-N 3.43Å; V508-I550 CarbonylContact C-O 3.49Å; V508-I550 VanDerWaalsContact CA-O 3.3Å; V508-I550 WeakPolarHBondContact CA-O 3.34Å; V508-I550 HydrophobicContact CG2-CB 4.39Å; V509-I550 PolarHBondContact N-O 3.18Å; L548-I550 HydrophobicContact CD2-CD1 4.27Å; L548-I550 HydrophobicContact CD2-CG1 4.41Å; L548-I550 HydrophobicContact CG-CG1 4.17Å
551G95.9Very high91.4Very high0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-91.9144.4172.600000111.1V446 L448 V509V446-G551 PolarHBondContact O-N 3.3Å; L448-G551 PolarHBondContact N-O 3.28Å; V509-G551 CarbonylContact O-C 3.46Å; V509-G551 WeakPolarHBondContact O-CA 3.38Å
552T95.6Very high91.2Very high0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans-116.7139.4168.367.20000110.4L448 K456 A460 V509 D510 D511 I512L448-T552 HydrophobicContact CB-CG2 4.33Å; L448-T552 HydrophobicContact CD1-CG2 4.37Å; L448-T552 WeakPolarHBondContact O-CA 3.28Å; K456-T552 HydrophobicContact CB-CG2 4.3Å; A460-T552 HydrophobicContact CB-CG2 3.7Å; V509-T552 PolarHBondContact O-N 2.8Å; D510-T552 WeakPolarHBondContact CA-OG1 3.04Å; D510-T552 PolarHBondContact OD1-OG1 2.8Å; D511-T552 PolarHBondContact N-OG1 2.63Å; I512-T552 WeakPolarHBondContact CG1-O 3.21Å; I512-T552 PolarHBondContact N-O 2.79Å
553T94.8Very high91.2Very high0 Ų058.1 Ų58.10%028%0.283CS..EExtended strand (participates in β ladder)trans-145.1144.3172.1-172.80000112.5L447 L448 E449 G450 K456 E513 R555 L559L447-T553 HydrophobicContact CD1-CG2 3.92Å; L447-T553 HydrophobicContact CD2-CG2 4.04Å; L447-T553 HydrophobicContact CG-CG2 4.16Å; L448-T553 PolarHBondContact O-N 2.9Å; E449-T553 HydrophobicContact CB-CG2 4.08Å; G450-T553 PolarHBondContact N-O 3.23Å; K456-T553 VanDerWaalsContact CD-O 3.24Å; K456-T553 WeakPolarHBondContact CD-O 3.42Å; K456-T553 WeakPolarHBondContact CE-O 3.32Å; K456-T553 PolarHBondContact NZ-O 2.85Å; E513-T553 VanDerWaalsContact OE2-CA 3.32Å; E513-T553 WeakPolarHBondContact OE2-CA 3.07Å; E513-T553 WeakPolarHBondContact OE2-CB 3.33Å; E513-T553 PolarHBondContact OE2-OG1 2.96Å; T553-R555 PolarHBondContact OG1-N 3.3Å; T553-R555 VanDerWaalsContact OG1-N 3.13Å; T553-L559 HydrophobicContact CG2-CD1 4.35Å; T553-L559 HydrophobicContact CG2-CD2 4.02Å; T553-L559 WeakPolarHBondContact OG1-CD1 3.43Å
554S92.9Very high91.6Very high30 Ų3048 Ų4821%0.2124%0.239CC..SBendtrans-94.1-7.1169.9-54.60000114.2G450 K456 E513G450-S554 VanDerWaalsContact O-CA 3.28Å; G450-S554 WeakPolarHBondContact O-CA 3.42Å; K456-S554 WeakPolarHBondContact CE-OG 3.31Å; K456-S554 PolarHBondContact NZ-OG 2.78Å; E513-S554 WeakPolarHBondContact OE1-CA 3.25Å; E513-S554 WeakPolarHBondContact OE1-CB 3.36Å; E513-S554 PolarHBondContact OE1-N 3.04Å; E513-S554 PolarHBondContact OE1-OG 2.82Å; E513-S554 PolarHBondContact OE2-N 2.84Å
555R89.9Confident91.9Very high117 Ų11745.8 Ų45.844%0.44221%0.21SC..  trans-134.983.7-173.6-66.5-172.3177.4-1330.8111.4T553 D557 V558 L559T553-R555 PolarHBondContact OG1-N 3.3Å; T553-R555 VanDerWaalsContact OG1-N 3.13Å; R555-D557 VanDerWaalsContact C-N 3.32Å; R555-D557 PolarHBondContact O-N 3.11Å; R555-V558 HydrophobicContact CB-CB 4.27Å; R555-V558 HydrophobicContact CB-CG2 3.95Å; R555-V558 PolarHBondContact O-N 3.31Å; R555-L559 WeakPolarHBondContact O-CD1 3.45Å
556R91Very high91.9Very high117 Ų11749.5 Ų49.544%0.44223%0.234SC..Hα-helixtrans-55.7-45.1177.1-178.5-170.2177.6141.8-5.4112.4E449 V558 L559 Q560 L565E449-R556 IonicContact OE1-CZ 3.32Å; E449-R556 IonicContact OE1-NE 3.74Å; E449-R556 IonicContact OE1-NH1 2.72Å; E449-R556 PolarHBondContact OE1-NH1 2.71Å; E449-R556 WeakPolarHBondContact OE2-CD 3.44Å; E449-R556 WeakPolarHBondContact OE2-CG 3.31Å; E449-R556 IonicContact OE2-CZ 3.78Å; E449-R556 IonicContact OE2-NE 3.24Å; E449-R556 PolarHBondContact OE2-NE 3.08Å; E449-R556 IonicContact OE2-NH1 3.29Å; E449-R556 PolarHBondContact OE2-NH1 2.87Å; R556-V558 PolarHBondContact O-N 2.82Å; R556-L559 PolarHBondContact O-N 3.28Å; R556-Q560 PolarHBondContact O-N 2.73Å; R556-L565 HydrophobicContact CG-CD1 3.88Å
557D90.7Very high91.9Very high116 Ų11648.5 Ų48.562%0.6223%0.231SC*.Hα-helixtrans-57.5-39.9-174-46.5-36.4000112R555 Q560 E561R555-D557 VanDerWaalsContact C-N 3.32Å; R555-D557 PolarHBondContact O-N 3.11Å; D557-Q560 WeakPolarHBondContact O-CB 3.14Å; D557-Q560 PolarHBondContact O-N 3.31Å; D557-E561 PolarHBondContact O-N 3.09Å; D557-E561 VanDerWaalsContact O-N 3.14Å
558V90.1Very high91.8Very high12 Ų1249.3 Ų49.37%0.07324%0.235CC..Hα-helixtrans-67.2-42.4179179.80000111Y518 R555 R556 Q560 E561 M562Y518-V558 HydrophobicContact CD1-CG1 4.16Å; Y518-V558 HydrophobicContact CD1-CG2 4.44Å; Y518-V558 HydrophobicContact CD2-CG1 3.8Å; Y518-V558 HydrophobicContact CE1-CB 4.42Å; Y518-V558 HydrophobicContact CE1-CG1 3.93Å; Y518-V558 HydrophobicContact CE1-CG2 3.64Å; Y518-V558 HydrophobicContact CE2-CG1 3.56Å; Y518-V558 HydrophobicContact CE2-CG2 4.41Å; Y518-V558 HydrophobicContact CG-CG1 4.09Å; R555-V558 HydrophobicContact CB-CB 4.27Å; R555-V558 HydrophobicContact CB-CG2 3.95Å; R555-V558 PolarHBondContact O-N 3.31Å; R556-V558 PolarHBondContact O-N 2.82Å; V558-Q560 PolarHBondContact O-N 3.28Å; V558-E561 PolarHBondContact O-N 3.29Å; V558-M562 HydrophobicContact CG1-CE 3.51Å; V558-M562 HydrophobicContact CG1-SD 4.07Å; V558-M562 VanDerWaalsContact O-CG 3.29Å; V558-M562 WeakPolarHBondContact O-CG 3.44Å; V558-M562 PolarHBondContact O-N 3.25Å; V558-M562 VanDerWaalsContact O-N 3.16Å
559L90Very high91.7Very high1 Ų153.3 Ų53.31%0.00526%0.263CS..Hα-helixtrans-69.2-26.6177.4-85.775.4000112.2L447 I512 T553 R555 R556 M562 E563 M564 L565L447-L559 HydrophobicContact CD1-CD2 4.12Å; L447-L559 HydrophobicContact CD2-CD2 4.04Å; I512-L559 HydrophobicContact CD1-CD2 4.25Å; I512-L559 HydrophobicContact CG2-CD2 4.42Å; T553-L559 HydrophobicContact CG2-CD1 4.35Å; T553-L559 HydrophobicContact CG2-CD2 4.02Å; T553-L559 WeakPolarHBondContact OG1-CD1 3.43Å; R555-L559 WeakPolarHBondContact O-CD1 3.45Å; R556-L559 PolarHBondContact O-N 3.28Å; L559-M562 PolarHBondContact O-N 2.92Å; L559-E563 PolarHBondContact O-N 3.37Å; L559-M564 HydrophobicContact CB-CB 4.43Å; L559-M564 HydrophobicContact CD2-CG 4.27Å; L559-M564 HydrophobicContact CD2-SD 4.09Å; L559-M564 HydrophobicContact CG-CB 4.38Å; L559-M564 HydrophobicContact CG-SD 4.32Å; L559-M564 PolarHBondContact O-N 3.08Å; L559-L565 HydrophobicContact CB-CG 4.19Å; L559-L565 PolarHBondContact O-N 3.4Å
560Q91.2Very high91.5Very high119 Ų11956 Ų5656%0.55628%0.279SS*.Hα-helixtrans-67.4-46.4173.6-166.5170.4-17.900111.4R556 D557 V558 M562 E563 L565R556-Q560 PolarHBondContact O-N 2.73Å; D557-Q560 WeakPolarHBondContact O-CB 3.14Å; D557-Q560 PolarHBondContact O-N 3.31Å; V558-Q560 PolarHBondContact O-N 3.28Å; Q560-M562 PolarHBondContact O-N 3.42Å; Q560-E563 PolarHBondContact O-N 3.3Å; Q560-L565 HydrophobicContact CB-CD1 3.6Å; Q560-L565 HydrophobicContact CG-CD1 4.05Å
561E89.4Confident91.4Very high162 Ų16258 Ų5876%0.75730%0.297SS*.Hα-helixtrans-63.9-28.5175.8-68.9179.8177.900112.8D557 V558 E563D557-E561 PolarHBondContact O-N 3.09Å; D557-E561 VanDerWaalsContact O-N 3.14Å; V558-E561 PolarHBondContact O-N 3.29Å; E561-E563 VanDerWaalsContact C-N 3.33Å
562M87.4Confident91.3Very high25 Ų2558.6 Ų58.612%0.12330%0.3CS..THydrogen-bonded Turntrans-86.33.6178.1-66.3177.5-177.900114.1L516 Y518 F525 L530 V558 L559 Q560 M564L516-M562 HydrophobicContact CD1-SD 4.01Å; Y518-M562 HydrophobicContact CD2-CE 3.72Å; Y518-M562 HydrophobicContact CE2-CE 4.06Å; F525-M562 HydrophobicContact CB-CE 4.19Å; F525-M562 HydrophobicContact CD1-CE 3.69Å; F525-M562 HydrophobicContact CD2-CE 4.28Å; F525-M562 HydrophobicContact CE1-CE 4.08Å; F525-M562 HydrophobicContact CG-CE 3.8Å; L530-M562 HydrophobicContact CD1-CB 4.29Å; L530-M562 HydrophobicContact CD1-SD 4.25Å; L530-M562 HydrophobicContact CD2-CB 4.34Å; L530-M562 HydrophobicContact CD2-CG 4.39Å; L530-M562 HydrophobicContact CD2-SD 4.47Å; V558-M562 HydrophobicContact CG1-CE 3.51Å; V558-M562 HydrophobicContact CG1-SD 4.07Å; V558-M562 VanDerWaalsContact O-CG 3.29Å; V558-M562 WeakPolarHBondContact O-CG 3.44Å; V558-M562 PolarHBondContact O-N 3.25Å; V558-M562 VanDerWaalsContact O-N 3.16Å; L559-M562 PolarHBondContact O-N 2.92Å; Q560-M562 PolarHBondContact O-N 3.42Å; M562-M564 PolarHBondContact O-N 2.89Å
563E87.9Confident91.2Very high143 Ų14363.5 Ų63.567%0.66832%0.322SS*.THydrogen-bonded Turntrans54.721-175.3-58.2-178.5167.900113.9L559 Q560 E561L559-E563 PolarHBondContact O-N 3.37Å; Q560-E563 PolarHBondContact O-N 3.3Å; E561-E563 VanDerWaalsContact C-N 3.33Å
564M90Very high91.1Very high1 Ų163.7 Ų63.71%0.00532%0.324CS..  trans-80.8-28.7-179.2-178170.2-91.100111.6I512 L530 L533 L534 L537 L559 M562 D566 A567 F568I512-M564 HydrophobicContact CD1-SD 4.46Å; I512-M564 HydrophobicContact CG2-SD 3.61Å; L530-M564 HydrophobicContact CD1-CE 3.49Å; L530-M564 VanDerWaalsContact CD1-CE 3.49Å; L530-M564 HydrophobicContact CD1-SD 4.46Å; L533-M564 HydrophobicContact CB-CE 3.85Å; L533-M564 HydrophobicContact CD1-CE 4.38Å; L534-M564 HydrophobicContact CD2-CB 4.14Å; L534-M564 HydrophobicContact CD2-CE 4.21Å; L534-M564 HydrophobicContact CD2-CG 4.2Å; L534-M564 HydrophobicContact CG-CE 4.33Å; L537-M564 HydrophobicContact CD1-CE 4.46Å; L537-M564 HydrophobicContact CD1-CG 4.35Å; L559-M564 HydrophobicContact CB-CB 4.43Å; L559-M564 HydrophobicContact CD2-CG 4.27Å; L559-M564 HydrophobicContact CD2-SD 4.09Å; L559-M564 HydrophobicContact CG-CB 4.38Å; L559-M564 HydrophobicContact CG-SD 4.32Å; L559-M564 PolarHBondContact O-N 3.08Å; M562-M564 PolarHBondContact O-N 2.89Å; M564-D566 VanDerWaalsContact C-N 3.28Å; M564-D566 PolarHBondContact O-N 3.03Å; M564-A567 WeakPolarHBondContact O-CB 3.49Å; M564-A567 PolarHBondContact O-N 3.14Å; M564-A567 VanDerWaalsContact O-N 3.1Å; M564-F568 HydrophobicContact CG-CD2 4.39Å; M564-F568 HydrophobicContact CG-CE2 3.86Å; M564-F568 VanDerWaalsContact O-CD2 3.29Å; M564-F568 WeakPolarHBondContact O-CD2 3.23Å; M564-F568 HydrophobicContact SD-CE2 4.43Å
565L89.9Confident91Very high26 Ų2664 Ų6414%0.13632%0.324CS..G310 helixtrans-57.1-41.4174.2-83.7170.6000112.2L447 R556 L559 Q560 A567 F568L447-L565 HydrophobicContact CD2-CD2 3.28Å; L447-L565 HydrophobicContact CD2-CG 4.4Å; R556-L565 HydrophobicContact CG-CD1 3.88Å; L559-L565 HydrophobicContact CB-CG 4.19Å; L559-L565 PolarHBondContact O-N 3.4Å; Q560-L565 HydrophobicContact CB-CD1 3.6Å; Q560-L565 HydrophobicContact CG-CD1 4.05Å; L565-A567 PolarHBondContact O-N 3.37Å; L565-F568 PolarHBondContact O-N 3.07Å
566D89Confident91Very high136 Ų13658.8 Ų58.873%0.72731%0.306SS*.G310 helixtrans-70.9-13.6-179.6-61.7-27.9000113.1M564M564-D566 VanDerWaalsContact C-N 3.28Å; M564-D566 PolarHBondContact O-N 3.03Å
567A90.9Very high90.9Very high8 Ų853.2 Ų53.27%0.06629%0.285CS..G310 helixtrans-82.8-19.5172.800000112.7S445 L534 L537 M564 L565S445-A567 PolarHBondContact OG-O 3.45Å; L534-A567 HydrophobicContact CD2-CB 3.91Å; L537-A567 HydrophobicContact CB-CB 4.29Å; L537-A567 HydrophobicContact CD1-CB 4.14Å; M564-A567 WeakPolarHBondContact O-CB 3.49Å; M564-A567 PolarHBondContact O-N 3.14Å; M564-A567 VanDerWaalsContact O-N 3.1Å; L565-A567 PolarHBondContact O-N 3.37Å
568F93.7Very high90.7Very high18 Ų1850.1 Ų50.18%0.07927%0.272CS..SBendtrans-84.4143.8174.1-73.1-82.2000110.7S445 L447 I512 L537 M564 L565S445-F568 WeakPolarHBondContact OG-CA 3.47Å; L447-F568 HydrophobicContact CB-CB 4.23Å; L447-F568 HydrophobicContact CB-CD1 4.03Å; L447-F568 HydrophobicContact CB-CD2 4.06Å; L447-F568 HydrophobicContact CB-CE1 4.43Å; L447-F568 HydrophobicContact CB-CE2 4.46Å; L447-F568 HydrophobicContact CB-CG 3.85Å; L447-F568 HydrophobicContact CD1-CD2 4.34Å; L447-F568 HydrophobicContact CD1-CE2 3.96Å; L447-F568 HydrophobicContact CD1-CZ 4.07Å; L447-F568 HydrophobicContact CD2-CD2 4.36Å; L447-F568 HydrophobicContact CG-CD2 4.5Å; I512-F568 HydrophobicContact CD1-CE2 4.19Å; I512-F568 HydrophobicContact CD1-CZ 3.87Å; L537-F568 HydrophobicContact CD1-CD2 4.43Å; L537-F568 HydrophobicContact CD1-CE1 4.37Å; L537-F568 HydrophobicContact CD1-CE2 3.81Å; L537-F568 HydrophobicContact CD1-CZ 3.76Å; L537-F568 HydrophobicContact CD2-CD1 4.34Å; L537-F568 HydrophobicContact CD2-CE1 3.66Å; L537-F568 HydrophobicContact CD2-CZ 3.79Å; L537-F568 HydrophobicContact CG-CZ 4.46Å; M564-F568 HydrophobicContact CG-CD2 4.39Å; M564-F568 HydrophobicContact CG-CE2 3.86Å; M564-F568 VanDerWaalsContact O-CD2 3.29Å; M564-F568 WeakPolarHBondContact O-CD2 3.23Å; M564-F568 HydrophobicContact SD-CE2 4.43Å; L565-F568 PolarHBondContact O-N 3.07Å
569S92.1Very high90.5Very high85 Ų8557 Ų5759%0.59430%0.296SS*.SBendtrans-75.1-36.3179.9-51.20000111.4S445S445-S569 PolarHBondContact N-OG 3.37Å; S445-S569 WeakPolarHBondContact O-CA 3.37Å; S445-S569 VanDerWaalsContact O-CB 3.24Å; S445-S569 WeakPolarHBondContact O-CB 3.37Å; S445-S569 PolarHBondContact O-N 3.4Å; S445-S569 PolarHBondContact OG-N 2.72Å; S445-S569 PolarHBondContact OG-OG 3.33Å
570T93Very high90.3Very high56 Ų5657.6 Ų57.634%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-149.3156.2178.3-170.80000110.8L431 S445 V446 L447L431-T570 HydrophobicContact CD1-CG2 3.83Å; L431-T570 HydrophobicContact CD2-CG2 3.76Å; L431-T570 HydrophobicContact CG-CG2 4.47Å; S445-T570 PolarHBondContact O-N 3.45Å; V446-T570 WeakPolarHBondContact CA-O 3.35Å; V446-T570 HydrophobicContact CB-CG2 4.29Å; V446-T570 HydrophobicContact CG1-CG2 4.09Å; V446-T570 HydrophobicContact CG2-CG2 3.94Å; L447-T570 PolarHBondContact N-O 2.96Å
571A94.3Very high90Very high47 Ų4759.2 Ų59.239%0.38831%0.311SS..EExtended strand (participates in β ladder)trans-125.7130.8174.100000110L447L447-A571 HydrophobicContact CB-CB 4.29Å; L447-A571 CarbonylContact O-C 3.53Å; L447-A571 VanDerWaalsContact O-CA 3.26Å; L447-A571 WeakPolarHBondContact O-CA 3.3Å
572I94.3Very high90Very high11 Ų1152.8 Ų52.86%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-109123.7176.9-60.6173.1000107.8A424 D427 L431 V446 L447 L448 E449A424-I572 HydrophobicContact CB-CG2 3.91Å; D427-I572 HydrophobicContact CB-CD1 3.86Å; D427-I572 HydrophobicContact CB-CG1 4.47Å; L431-I572 HydrophobicContact CD1-CD1 3.81Å; V446-I572 HydrophobicContact CG1-CD1 3.88Å; V446-I572 HydrophobicContact CG1-CG1 4.24Å; L447-I572 PolarHBondContact O-N 2.93Å; L448-I572 HydrophobicContact CD2-CB 3.79Å; L448-I572 HydrophobicContact CD2-CD1 4.26Å; L448-I572 HydrophobicContact CD2-CG2 4Å; E449-I572 PolarHBondContact N-O 3.26Å
573H93.5Very high90Very high103 Ų10351.6 Ų51.648%0.47728%0.275SS..EExtended strand (participates in β ladder)trans-92.2122.4-179.7-173.282.8000111.6E449 P575E449-H573 HydrophobicContact CG-CB 4.23Å; E449-H573 IonicContact OE1-CG 3.84Å; E449-H573 IonicContact OE1-ND1 3.09Å; E449-H573 PolarHBondContact OE1-ND1 2.97Å; E449-H573 VanDerWaalsContact OE1-ND1 3.09Å; H573-P575 WeakPolarHBondContact O-CD 3.27Å
574I92.2Very high90Very high5 Ų546.3 Ų46.33%0.02625%0.253CS..  trans-104.4102.7175.9-61.2162.3000108.6L448 E449 G450 P451 K456 L459L448-I574 HydrophobicContact CB-CD1 4.14Å; L448-I574 HydrophobicContact CD2-CD1 3.85Å; L448-I574 HydrophobicContact CG-CD1 4.43Å; E449-I574 PolarHBondContact O-N 3.17Å; G450-I574 WeakPolarHBondContact CA-O 3.38Å; P451-I574 VanDerWaalsContact CD-O 3.31Å; P451-I574 WeakPolarHBondContact CD-O 3.22Å; K456-I574 HydrophobicContact CB-CD1 4.18Å; K456-I574 HydrophobicContact CG-CB 4.5Å; K456-I574 HydrophobicContact CG-CD1 3.86Å; L459-I574 HydrophobicContact CB-CD1 4.32Å; L459-I574 HydrophobicContact CD1-CD1 3.65Å; L459-I574 HydrophobicContact CD1-CG1 4.19Å; L459-I574 HydrophobicContact CD1-CG2 4.13Å
575P90.2Very high89.9Confident35 Ų3550.5 Ų50.523%0.22727%0.272CS..PPolyproline II helixtrans-74.8159.8179.332.1-35.3000111.8P420 H573P420-P575 HydrophobicContact CB-CG 3.61Å; P420-P575 HydrophobicContact CG-CG 3.92Å; H573-P575 WeakPolarHBondContact O-CD 3.27Å
576N90.2Very high89.8Confident9 Ų949.3 Ų49.35%0.04827%0.266CS..PPolyproline II helixtrans-73.8163.1164.9-82.5-8000111P451 S454 S578 W611 I612 G613P451-N576 WeakPolarHBondContact CB-ND2 3.49Å; P451-N576 HydrophobicContact CG-CB 4.42Å; S454-N576 WeakPolarHBondContact CB-OD1 3.27Å; N576-S578 PolarHBondContact O-N 3.12Å; N576-W611 HydrophobicContact CB-CD2 4.29Å; N576-W611 PolarHBondContact ND2-NE1 3.28Å; N576-I612 WeakPolarHBondContact CB-O 3.39Å; N576-G613 WeakPolarHBondContact OD1-CA 3.11Å
577I88.5Confident89.8Confident0 Ų042.9 Ų42.90%023%0.231CC..BIsolated β-bridgetrans-63.3121.2174.4-59170.6000108W417 E582 L583 A586 L610 I612 I614 L617W417-I577 HydrophobicContact CD2-CD1 4.28Å; W417-I577 HydrophobicContact CD2-CG1 3.81Å; W417-I577 HydrophobicContact CE3-CG1 3.75Å; W417-I577 HydrophobicContact CH2-CB 4.46Å; W417-I577 HydrophobicContact CH2-CG1 3.8Å; W417-I577 HydrophobicContact CZ2-CG1 3.88Å; W417-I577 HydrophobicContact CZ3-CB 4.28Å; W417-I577 HydrophobicContact CZ3-CG1 3.74Å; I577-E582 HydrophobicContact CG2-CB 3.87Å; I577-L583 HydrophobicContact CG2-CB 4.02Å; I577-A586 HydrophobicContact CD1-CB 4.4Å; I577-L610 HydrophobicContact CG2-CD1 4.45Å; I577-L610 CarbonylContact O-C 3.58Å; I577-I612 HydrophobicContact CB-CG2 4.09Å; I577-I612 PolarHBondContact N-O 2.75Å; I577-I612 PolarHBondContact O-N 2.98Å; I577-I614 HydrophobicContact CD1-CD1 4.25Å; I577-L617 HydrophobicContact CD1-CD2 3.59Å
578S86.3Confident89.6Confident50 Ų5047.9 Ų47.935%0.3525%0.253SS..  trans-115.5-30.9-171.468.70000113N576 E582 L610N576-S578 PolarHBondContact O-N 3.12Å; S578-E582 PolarHBondContact N-OE2 3.36Å; S578-E582 VanDerWaalsContact N-OE2 3.09Å; S578-E582 PolarHBondContact OG-OE2 3.45Å; S578-L610 WeakPolarHBondContact CA-O 3.34Å; S578-L610 PolarHBondContact O-N 3.44Å
579R86.5Confident89.3Confident156 Ų15651.7 Ų51.759%0.58927%0.274SS*.SBendtrans-103.1143.5-177.8-59.5-178.5177.8-169.81.5111.1E581 E582 L583R579-E581 PolarHBondContact O-N 3.3Å; R579-E582 HydrophobicContact CB-CB 4.33Å; R579-E582 HydrophobicContact CB-CG 3.98Å; R579-E582 PolarHBondContact N-OE2 2.97Å; R579-E582 VanDerWaalsContact N-OE2 3.11Å; R579-E582 WeakPolarHBondContact O-CB 3.42Å; R579-E582 PolarHBondContact O-N 3.41Å; R579-L583 PolarHBondContact O-N 2.78Å; R579-L583 VanDerWaalsContact O-N 3.14Å
580G84.9Confident89Confident15 Ų1549.7 Ų49.716%0.15526%0.256CS..Hα-helixtrans-59.6-32.5173.100000113.5L583 V584G580-L583 PolarHBondContact O-N 2.92Å; G580-V584 WeakPolarHBondContact O-CG2 3.34Å; G580-V584 PolarHBondContact O-N 2.67Å
581E86.6Confident88.5Confident152 Ų15249.4 Ų49.471%0.7127%0.265SS*.Hα-helixtrans-63.5-46.7176-65.9170.9-179.500111.6R579 L583 V584 Q585R579-E581 PolarHBondContact O-N 3.3Å; E581-L583 VanDerWaalsContact C-N 3.3Å; E581-L583 PolarHBondContact O-N 3.35Å; E581-V584 PolarHBondContact O-N 3.22Å; E581-Q585 WeakPolarHBondContact O-CB 3.46Å; E581-Q585 PolarHBondContact O-N 3.32Å
582E88.1Confident87.8Confident27 Ų2749.5 Ų49.513%0.12626%0.263CS..Hα-helixtrans-60.1-39.7175.5-69165.8-18000111.5W417 I577 S578 R579 Q585 A586W417-E582 HydrophobicContact CE3-CB 3.9Å; W417-E582 HydrophobicContact CE3-CG 4.24Å; W417-E582 HydrophobicContact CZ3-CB 4.13Å; W417-E582 HydrophobicContact CZ3-CG 4.21Å; I577-E582 HydrophobicContact CG2-CB 3.87Å; S578-E582 PolarHBondContact N-OE2 3.36Å; S578-E582 VanDerWaalsContact N-OE2 3.09Å; S578-E582 PolarHBondContact OG-OE2 3.45Å; R579-E582 HydrophobicContact CB-CB 4.33Å; R579-E582 HydrophobicContact CB-CG 3.98Å; R579-E582 PolarHBondContact N-OE2 2.97Å; R579-E582 VanDerWaalsContact N-OE2 3.11Å; R579-E582 WeakPolarHBondContact O-CB 3.42Å; R579-E582 PolarHBondContact O-N 3.41Å; E582-Q585 PolarHBondContact O-N 2.93Å; E582-A586 WeakPolarHBondContact O-CB 3.21Å; E582-A586 PolarHBondContact O-N 3.25Å
583L88.1Confident87.5Confident0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-63.9-47176.2-178.571.2000111.5I577 R579 G580 E581 Q585 A586 L587 V605 L610 L617 L640I577-L583 HydrophobicContact CG2-CB 4.02Å; R579-L583 PolarHBondContact O-N 2.78Å; R579-L583 VanDerWaalsContact O-N 3.14Å; G580-L583 PolarHBondContact O-N 2.92Å; E581-L583 VanDerWaalsContact C-N 3.3Å; E581-L583 PolarHBondContact O-N 3.35Å; L583-Q585 VanDerWaalsContact C-N 3.32Å; L583-Q585 PolarHBondContact O-N 3.36Å; L583-A586 WeakPolarHBondContact O-CB 3.4Å; L583-A586 PolarHBondContact O-N 3.16Å; L583-L587 HydrophobicContact CG-CD1 4.31Å; L583-L587 VanDerWaalsContact O-CG 3.3Å; L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 3.31Å; L583-V605 HydrophobicContact CD2-CG1 4.15Å; L583-V605 HydrophobicContact CD2-CG2 4.13Å; L583-L610 HydrophobicContact CB-CD1 3.66Å; L583-L610 HydrophobicContact CD2-CD1 3.7Å; L583-L610 HydrophobicContact CD2-CD2 4.48Å; L583-L610 HydrophobicContact CG-CD1 4.19Å; L583-L617 HydrophobicContact CD1-CD1 3.68Å; L583-L617 HydrophobicContact CD1-CD2 3.61Å; L583-L617 HydrophobicContact CD1-CG 4.32Å; L583-L640 HydrophobicContact CD2-CD2 3.98Å
584V88.3Confident87.2Confident33 Ų3350.6 Ų50.620%0.227%0.268CS..Hα-helixtrans-65-40-180174.20000110.6G580 E581 L587 E588 A602G580-V584 WeakPolarHBondContact O-CG2 3.34Å; G580-V584 PolarHBondContact O-N 2.67Å; E581-V584 PolarHBondContact O-N 3.22Å; V584-L587 PolarHBondContact O-N 3.35Å; V584-E588 WeakPolarHBondContact O-CB 3.15Å; V584-E588 PolarHBondContact O-N 3.31Å; V584-A602 HydrophobicContact CG2-CB 3.84Å
585Q87.6Confident86.9Confident89 Ų8957.5 Ų57.542%0.41630%0.3SS..Hα-helixtrans-62.3-42174.1-172.5174.63.400111.7W417 E581 E582 L583 L587 E588 L589W417-Q585 PolarHBondContact O-OE1 3.27Å; E581-Q585 WeakPolarHBondContact O-CB 3.46Å; E581-Q585 PolarHBondContact O-N 3.32Å; E582-Q585 PolarHBondContact O-N 2.93Å; L583-Q585 VanDerWaalsContact C-N 3.32Å; L583-Q585 PolarHBondContact O-N 3.36Å; Q585-L587 VanDerWaalsContact C-N 3.35Å; Q585-L587 PolarHBondContact O-N 3.28Å; Q585-E588 PolarHBondContact O-N 3.45Å; Q585-L589 HydrophobicContact CG-CD1 4.42Å; Q585-L589 WeakPolarHBondContact O-CG 3.09Å; Q585-L589 PolarHBondContact O-N 3.11Å
586A88Confident86.8Confident0 Ų064.2 Ų64.20%033%0.325CS..Hα-helixtrans-59.5-44.6173.600000112W417 I577 E582 L583 L589 L590 L617W417-A586 HydrophobicContact CB-CB 3.58Å; W417-A586 HydrophobicContact CG-CB 4.42Å; I577-A586 HydrophobicContact CD1-CB 4.4Å; E582-A586 WeakPolarHBondContact O-CB 3.21Å; E582-A586 PolarHBondContact O-N 3.25Å; L583-A586 WeakPolarHBondContact O-CB 3.4Å; L583-A586 PolarHBondContact O-N 3.16Å; A586-L589 PolarHBondContact O-N 2.7Å; A586-L590 WeakPolarHBondContact O-CB 3.17Å; A586-L590 VanDerWaalsContact O-CG 3.27Å; A586-L590 WeakPolarHBondContact O-CG 3.2Å; A586-L590 PolarHBondContact O-N 2.88Å; A586-L590 VanDerWaalsContact O-N 3.07Å; A586-L617 HydrophobicContact CB-CD2 4.15Å
587L87.8Confident86.6Confident1 Ų165 Ų651%0.00533%0.329CS..Hα-helixtrans-66.9-36179.2-68.4173.7000112.6L583 V584 Q585 L590 G591 F593 I601 I621 F636L583-L587 HydrophobicContact CG-CD1 4.31Å; L583-L587 VanDerWaalsContact O-CG 3.3Å; L583-L587 WeakPolarHBondContact O-CG 3.42Å; L583-L587 PolarHBondContact O-N 3.31Å; V584-L587 PolarHBondContact O-N 3.35Å; Q585-L587 VanDerWaalsContact C-N 3.35Å; Q585-L587 PolarHBondContact O-N 3.28Å; L587-L590 PolarHBondContact O-N 3.36Å; L587-G591 PolarHBondContact O-N 3.23Å; L587-G591 VanDerWaalsContact O-N 3.11Å; L587-F593 HydrophobicContact CD2-CD2 3.89Å; L587-F593 HydrophobicContact CD2-CE2 3.85Å; L587-I601 HydrophobicContact CD1-CD1 4.04Å; L587-I601 HydrophobicContact CD1-CG2 4.03Å; L587-I621 HydrophobicContact CD2-CD1 3.39Å; L587-I621 HydrophobicContact CD2-CG1 3.75Å; L587-F636 HydrophobicContact CD1-CE1 4.34Å; L587-F636 HydrophobicContact CD2-CZ 4.36Å
588E88.2Confident86.6Confident114 Ų11467.2 Ų67.253%0.53334%0.337SS..Hα-helixtrans-64.7-47.4175172165.7-141.700111.6V584 Q585 L590 G591 R598V584-E588 WeakPolarHBondContact O-CB 3.15Å; V584-E588 PolarHBondContact O-N 3.31Å; Q585-E588 PolarHBondContact O-N 3.45Å; E588-L590 PolarHBondContact O-N 2.99Å; E588-G591 PolarHBondContact O-N 3.44Å; E588-G591 VanDerWaalsContact O-N 3.14Å; E588-R598 IonicContact OE1-NH1 3.19Å
589L86.7Confident86.6Confident97 Ų9769.9 Ų69.951%0.50835%0.347SS..Hα-helixtrans-64.1-31.2177.3-68.7172.4000112.6I415 R416 Q585 A586I415-L589 HydrophobicContact CG2-CB 3.79Å; I415-L589 HydrophobicContact CG2-CD1 3.63Å; I415-L589 HydrophobicContact CG2-CG 4.38Å; R416-L589 WeakPolarHBondContact O-CD1 3.49Å; Q585-L589 HydrophobicContact CG-CD1 4.42Å; Q585-L589 WeakPolarHBondContact O-CG 3.09Å; Q585-L589 PolarHBondContact O-N 3.11Å; A586-L589 PolarHBondContact O-N 2.7Å
590L85.1Confident86.6Confident43 Ų4364 Ų6423%0.22534%0.335CS..Hα-helixtrans-77.2-20.3176.1-76.5171.2000113.9I415 A586 L587 E588 S592 L618 I621I415-L590 HydrophobicContact CD1-CD1 4.21Å; I415-L590 HydrophobicContact CD1-CD2 3.47Å; I415-L590 VanDerWaalsContact CD1-CD2 3.47Å; I415-L590 HydrophobicContact CD1-CG 3.89Å; I415-L590 HydrophobicContact CG1-CD2 4.2Å; A586-L590 WeakPolarHBondContact O-CB 3.17Å; A586-L590 VanDerWaalsContact O-CG 3.27Å; A586-L590 WeakPolarHBondContact O-CG 3.2Å; A586-L590 PolarHBondContact O-N 2.88Å; A586-L590 VanDerWaalsContact O-N 3.07Å; L587-L590 PolarHBondContact O-N 3.36Å; E588-L590 PolarHBondContact O-N 2.99Å; L590-S592 PolarHBondContact O-N 3.19Å; L590-S592 VanDerWaalsContact O-N 3.1Å; L590-S592 PolarHBondContact O-OG 2.92Å; L590-L618 HydrophobicContact CD1-CD2 3.8Å; L590-L618 HydrophobicContact CD2-CD2 3.6Å; L590-L618 HydrophobicContact CG-CD2 4.38Å; L590-I621 HydrophobicContact CD1-CD1 3.45Å; L590-I621 VanDerWaalsContact CD1-CD1 3.45Å
591G83.1Confident86.7Confident51 Ų5163.3 Ų63.353%0.52633%0.327SS..THydrogen-bonded Turntrans64.712176.700000115.6L587 E588L587-G591 PolarHBondContact O-N 3.23Å; L587-G591 VanDerWaalsContact O-N 3.11Å; E588-G591 PolarHBondContact O-N 3.44Å; E588-G591 VanDerWaalsContact O-N 3.14Å
592S80.5Confident86.7Confident49 Ų4957.5 Ų57.534%0.34331%0.306SS..  trans-80.8-18.1-170.9-40.50000114.9L590 I621L590-S592 PolarHBondContact O-N 3.19Å; L590-S592 VanDerWaalsContact O-N 3.1Å; L590-S592 PolarHBondContact O-OG 2.92Å; S592-I621 VanDerWaalsContact CB-CG2 3.42Å; S592-I621 WeakPolarHBondContact OG-CG2 3.49Å
593F86.2Confident86.7Confident7 Ų761.8 Ų61.83%0.03133%0.33CS..SBendtrans-120.8146.7-179.7-69.9-83.6000111.3L587 E597 R598 I601 I621 A624 R632 F636L587-F593 HydrophobicContact CD2-CD2 3.89Å; L587-F593 HydrophobicContact CD2-CE2 3.85Å; F593-E597 WeakPolarHBondContact CA-OE2 3.35Å; F593-E597 HydrophobicContact CB-CB 4.07Å; F593-E597 HydrophobicContact CD1-CB 4.05Å; F593-R598 HydrophobicContact CB-CG 3.93Å; F593-R598 VanDerWaalsContact O-CZ 3.28Å; F593-R598 PolarHBondContact O-NE 2.86Å; F593-R598 PolarHBondContact O-NH2 3.03Å; F593-I601 HydrophobicContact CD1-CD1 4.15Å; F593-I601 HydrophobicContact CD2-CD1 4.31Å; F593-I601 HydrophobicContact CE1-CD1 4.22Å; F593-I601 HydrophobicContact CE2-CD1 4.36Å; F593-I601 HydrophobicContact CG-CD1 4.2Å; F593-I601 HydrophobicContact CZ-CD1 4.32Å; F593-I621 HydrophobicContact CE2-CB 4.48Å; F593-I621 HydrophobicContact CE2-CG1 4.17Å; F593-I621 HydrophobicContact CE2-CG2 3.94Å; F593-A624 HydrophobicContact CZ-CB 4.38Å; F593-R632 HydrophobicContact CE1-CB 4.32Å; F593-F636 HydrophobicContact CZ-CB 4.13Å; F593-F636 HydrophobicContact CZ-CD2 4.17Å; F593-F636 HydrophobicContact CZ-CG 4.02Å
594E88.1Confident86.5Confident129 Ų12963.4 Ų63.460%0.60334%0.343SS*.  trans-69.8161.8173.2-64.8-173.4-179.600111.9K596 E597 R598E594-K596 VanDerWaalsContact C-N 3.26Å; E594-K596 PolarHBondContact O-N 2.84Å; E594-E597 HydrophobicContact CB-CG 4.26Å; E594-E597 PolarHBondContact N-OE2 2.99Å; E594-E597 WeakPolarHBondContact O-CB 3.41Å; E594-E597 PolarHBondContact O-N 3.42Å; E594-E597 VanDerWaalsContact O-N 3.12Å; E594-R598 WeakPolarHBondContact O-CG 3.36Å; E594-R598 PolarHBondContact O-N 2.68Å
595E86.2Confident86.3Confident151 Ų15161.9 Ų61.971%0.70633%0.334SS*.Hα-helixtrans-56.8-38.7178.6-72.8-175.3166.300112.9R598 L599E595-R598 PolarHBondContact O-N 2.85Å; E595-L599 WeakPolarHBondContact O-CB 3.38Å; E595-L599 WeakPolarHBondContact O-CD1 3.31Å; E595-L599 WeakPolarHBondContact O-CG 3.47Å; E595-L599 PolarHBondContact O-N 2.82Å
596K87.1Confident86Confident175 Ų17566 Ų6676%0.76135%0.35SS*.Hα-helixtrans-64.9-41.7177.3-68.6179.7-178.3171.60112E594 L599 G600E594-K596 VanDerWaalsContact C-N 3.26Å; E594-K596 PolarHBondContact O-N 2.84Å; K596-L599 PolarHBondContact O-N 3.33Å; K596-G600 PolarHBondContact O-N 3.43Å; K596-G600 VanDerWaalsContact O-N 3.09Å
597E87.7Confident85.5Confident25 Ų2570.2 Ų70.212%0.11739%0.394CS..Hα-helixtrans-67.4-43.3177.6-65179.7133.600110.8F593 E594 L599 G600 I601 V633F593-E597 WeakPolarHBondContact CA-OE2 3.35Å; F593-E597 HydrophobicContact CB-CB 4.07Å; F593-E597 HydrophobicContact CD1-CB 4.05Å; E594-E597 HydrophobicContact CB-CG 4.26Å; E594-E597 PolarHBondContact N-OE2 2.99Å; E594-E597 WeakPolarHBondContact O-CB 3.41Å; E594-E597 PolarHBondContact O-N 3.42Å; E594-E597 VanDerWaalsContact O-N 3.12Å; E597-L599 VanDerWaalsContact C-N 3.35Å; E597-L599 PolarHBondContact O-N 3.47Å; E597-G600 WeakPolarHBondContact O-CA 3.21Å; E597-G600 PolarHBondContact O-N 2.92Å; E597-G600 VanDerWaalsContact O-N 3.11Å; E597-I601 WeakPolarHBondContact O-CG1 3.24Å; E597-I601 PolarHBondContact O-N 2.81Å; E597-V633 HydrophobicContact CB-CG2 3.55Å; E597-V633 HydrophobicContact CG-CG2 3.71Å
598R87.8Confident85.2Confident47 Ų4773.3 Ų73.318%0.17741%0.407CS..Hα-helixtrans-60.5-41.2174.9-71.9-177.3-124.4170.4-3.5112.2E588 F593 E594 E595 G600 I601 A602E588-R598 IonicContact OE1-NH1 3.19Å; F593-R598 HydrophobicContact CB-CG 3.93Å; F593-R598 VanDerWaalsContact O-CZ 3.28Å; F593-R598 PolarHBondContact O-NE 2.86Å; F593-R598 PolarHBondContact O-NH2 3.03Å; E594-R598 WeakPolarHBondContact O-CG 3.36Å; E594-R598 PolarHBondContact O-N 2.68Å; E595-R598 PolarHBondContact O-N 2.85Å; R598-G600 VanDerWaalsContact C-N 3.33Å; R598-G600 PolarHBondContact O-N 3.41Å; R598-I601 PolarHBondContact O-N 3.24Å; R598-A602 VanDerWaalsContact O-CB 3.25Å; R598-A602 WeakPolarHBondContact O-CB 3.4Å; R598-A602 PolarHBondContact O-N 3.12Å
599L86.9Confident84.7Confident107 Ų10771 Ų7156%0.5640%0.404SS*.Hα-helixtrans-61.8-40.5173.3-83.2157000111.8E595 K596 E597 A602 N603E595-L599 WeakPolarHBondContact O-CB 3.38Å; E595-L599 WeakPolarHBondContact O-CD1 3.31Å; E595-L599 WeakPolarHBondContact O-CG 3.47Å; E595-L599 PolarHBondContact O-N 2.82Å; K596-L599 PolarHBondContact O-N 3.33Å; E597-L599 VanDerWaalsContact C-N 3.35Å; E597-L599 PolarHBondContact O-N 3.47Å; L599-A602 PolarHBondContact O-N 2.86Å; L599-N603 WeakPolarHBondContact O-CB 3.25Å; L599-N603 PolarHBondContact O-N 2.91Å; L599-N603 PolarHBondContact O-ND2 2.9Å
600G85.3Confident84.6Confident32 Ų3266.7 Ų66.733%0.3338%0.381SS..Hα-helixtrans-60.3-45.7173.800000112.6K596 E597 R598 A604K596-G600 PolarHBondContact O-N 3.43Å; K596-G600 VanDerWaalsContact O-N 3.09Å; E597-G600 WeakPolarHBondContact O-CA 3.21Å; E597-G600 PolarHBondContact O-N 2.92Å; E597-G600 VanDerWaalsContact O-N 3.11Å; R598-G600 VanDerWaalsContact C-N 3.33Å; R598-G600 PolarHBondContact O-N 3.41Å; G600-A604 PolarHBondContact O-N 2.7Å
601I87.1Confident84.7Confident0 Ų070.7 Ų70.70%039%0.393CS..Hα-helixtrans-66.2-46.7176.3-63.4167.9000110.5L587 F593 E597 R598 N603 A604 V605 V633 F636 L637L587-I601 HydrophobicContact CD1-CD1 4.04Å; L587-I601 HydrophobicContact CD1-CG2 4.03Å; F593-I601 HydrophobicContact CD1-CD1 4.15Å; F593-I601 HydrophobicContact CD2-CD1 4.31Å; F593-I601 HydrophobicContact CE1-CD1 4.22Å; F593-I601 HydrophobicContact CE2-CD1 4.36Å; F593-I601 HydrophobicContact CG-CD1 4.2Å; F593-I601 HydrophobicContact CZ-CD1 4.32Å; E597-I601 WeakPolarHBondContact O-CG1 3.24Å; E597-I601 PolarHBondContact O-N 2.81Å; R598-I601 PolarHBondContact O-N 3.24Å; I601-N603 VanDerWaalsContact C-N 3.3Å; I601-N603 PolarHBondContact O-N 2.95Å; I601-A604 PolarHBondContact O-N 3.14Å; I601-V605 HydrophobicContact CG2-CG2 3.88Å; I601-V605 WeakPolarHBondContact O-CB 3.37Å; I601-V605 WeakPolarHBondContact O-CG2 3.48Å; I601-V605 PolarHBondContact O-N 2.68Å; I601-V633 HydrophobicContact CG1-CG1 3.85Å; I601-F636 HydrophobicContact CD1-CD1 3.9Å; I601-F636 HydrophobicContact CD1-CE1 4.21Å; I601-F636 HydrophobicContact CG1-CD1 4.31Å; I601-F636 HydrophobicContact CG2-CE1 4.2Å; I601-L637 HydrophobicContact CG2-CD2 4.49Å
602A87.6Confident85Confident31 Ų3168.6 Ų68.626%0.25637%0.37SS..Hα-helixtrans-56.4-44.6179.800000111.5V584 R598 L599 V605 K606V584-A602 HydrophobicContact CG2-CB 3.84Å; R598-A602 VanDerWaalsContact O-CB 3.25Å; R598-A602 WeakPolarHBondContact O-CB 3.4Å; R598-A602 PolarHBondContact O-N 3.12Å; L599-A602 PolarHBondContact O-N 2.86Å; A602-V605 PolarHBondContact O-N 3.42Å; A602-K606 WeakPolarHBondContact O-CB 3.4Å; A602-K606 PolarHBondContact O-N 2.91Å
603N87.1Confident85.4Confident117 Ų11766.4 Ų66.463%0.62636%0.356SS*.Hα-helixtrans-65.2-38176.5-73.8-27.9000112.9L599 I601 V605L599-N603 WeakPolarHBondContact O-CB 3.25Å; L599-N603 PolarHBondContact O-N 2.91Å; L599-N603 PolarHBondContact O-ND2 2.9Å; I601-N603 VanDerWaalsContact C-N 3.3Å; I601-N603 PolarHBondContact O-N 2.95Å; N603-V605 VanDerWaalsContact C-N 3.31Å; N603-V605 PolarHBondContact O-N 3.45Å
604A83.6Confident85.6Confident34 Ų3467 Ų6728%0.28136%0.359SS..Hα-helixtrans-72.3-25.5-179.900000113.6G600 I601 L637G600-A604 PolarHBondContact O-N 2.7Å; I601-A604 PolarHBondContact O-N 3.14Å; A604-L637 HydrophobicContact CB-CD1 3.68Å; A604-L637 HydrophobicContact CB-CD2 3.89Å; A604-L637 HydrophobicContact CB-CG 4.48Å
605V84.2Confident85.7Confident1 Ų167.6 Ų67.61%0.00636%0.359CS..Hα-helixtrans-101.3-18.3-174.2-175.20000111.9L583 I601 A602 N603 G607 K608 L610 L637 L646L583-V605 HydrophobicContact CD2-CG1 4.15Å; L583-V605 HydrophobicContact CD2-CG2 4.13Å; I601-V605 HydrophobicContact CG2-CG2 3.88Å; I601-V605 WeakPolarHBondContact O-CB 3.37Å; I601-V605 WeakPolarHBondContact O-CG2 3.48Å; I601-V605 PolarHBondContact O-N 2.68Å; A602-V605 PolarHBondContact O-N 3.42Å; N603-V605 VanDerWaalsContact C-N 3.31Å; N603-V605 PolarHBondContact O-N 3.45Å; V605-G607 PolarHBondContact O-N 3.27Å; V605-K608 PolarHBondContact O-N 3.39Å; V605-K608 VanDerWaalsContact O-N 3.08Å; V605-L610 HydrophobicContact CG1-CD1 3.68Å; V605-L610 HydrophobicContact CG1-CD2 3.85Å; V605-L610 HydrophobicContact CG1-CG 3.96Å; V605-L637 HydrophobicContact CG2-CD2 4.26Å; V605-L646 HydrophobicContact CG2-CD1 4.21Å
606K81.3Confident85.9Confident174 Ų17462.6 Ų62.676%0.75734%0.335SS*.THydrogen-bonded Turntrans-56.7122.4180-163.7171.5-174.2174.80111.7A602 K608A602-K606 WeakPolarHBondContact O-CB 3.4Å; A602-K606 PolarHBondContact O-N 2.91Å; K606-K608 VanDerWaalsContact C-N 3.33Å
607G77.3Confident86.1Confident89 Ų8954.2 Ų54.292%0.91830%0.299SS*.THydrogen-bonded Turntrans81.63.9178.800000115.5V605V605-G607 PolarHBondContact O-N 3.27Å
608K81.4Confident86.2Confident66 Ų6655 Ų5529%0.28730%0.304SS..PPolyproline II helixtrans-101.6146.9175-62.7-175178-177.50111.4V605 K606 L646 D647V605-K608 PolarHBondContact O-N 3.39Å; V605-K608 VanDerWaalsContact O-N 3.08Å; K606-K608 VanDerWaalsContact C-N 3.33Å; K608-L646 HydrophobicContact CD-CD2 3.41Å; K608-L646 VanDerWaalsContact CD-CD2 3.41Å; K608-L646 HydrophobicContact CD-CG 4.03Å; K608-D647 IonicContact NZ-OD2 3.62Å
609S79.8Confident86.3Confident66 Ų6656.7 Ų56.746%0.46232%0.315SS..PPolyproline II helixtrans-79.9129.1172.455.20000110.2D647S609-D647 PolarHBondContact O-N 3.47Å
610L84.1Confident86.5Confident7 Ų751.7 Ų51.74%0.03729%0.288CS..BIsolated β-bridgetrans-103.3154.9173.2-61.7170.9000111.7I577 S578 L583 V605 L640 G645 L646I577-L610 HydrophobicContact CG2-CD1 4.45Å; I577-L610 CarbonylContact O-C 3.58Å; S578-L610 WeakPolarHBondContact CA-O 3.34Å; S578-L610 PolarHBondContact O-N 3.44Å; L583-L610 HydrophobicContact CB-CD1 3.66Å; L583-L610 HydrophobicContact CD2-CD1 3.7Å; L583-L610 HydrophobicContact CD2-CD2 4.48Å; L583-L610 HydrophobicContact CG-CD1 4.19Å; V605-L610 HydrophobicContact CG1-CD1 3.68Å; V605-L610 HydrophobicContact CG1-CD2 3.85Å; V605-L610 HydrophobicContact CG1-CG 3.96Å; L610-L640 HydrophobicContact CD2-CD2 4.2Å; L610-G645 WeakPolarHBondContact CA-O 3.47Å; L610-G645 WeakPolarHBondContact CD2-O 3.49Å; L610-L646 HydrophobicContact CD2-CD1 3.85Å; L610-L646 HydrophobicContact CD2-CG 4.33Å
611W87.4Confident86.7Confident126 Ų12650.4 Ų50.448%0.47727%0.274SS..  trans-149.186166.7-171.2-89.4000110P451 N576 G645P451-W611 HydrophobicContact CB-CZ2 4.44Å; P451-W611 HydrophobicContact CG-CH2 4.39Å; P451-W611 HydrophobicContact CG-CZ2 3.66Å; N576-W611 HydrophobicContact CB-CD2 4.29Å; N576-W611 PolarHBondContact ND2-NE1 3.28Å; W611-G645 PolarHBondContact N-O 2.66Å
612I89.2Confident86.9Confident7 Ų755.8 Ų55.84%0.03630%0.299CS..BIsolated β-bridgetrans-138.6137.6-179.1-169164.4000112.1N576 I577 K616 L617 L620 L640N576-I612 WeakPolarHBondContact CB-O 3.39Å; I577-I612 HydrophobicContact CB-CG2 4.09Å; I577-I612 PolarHBondContact N-O 2.75Å; I577-I612 PolarHBondContact O-N 2.98Å; I612-K616 HydrophobicContact CG1-CB 4.37Å; I612-L617 HydrophobicContact CD1-CB 4.2Å; I612-L617 HydrophobicContact CD1-CD1 4.43Å; I612-L617 HydrophobicContact CG1-CB 4.35Å; I612-L620 HydrophobicContact CD1-CD1 3.6Å; I612-L640 HydrophobicContact CB-CD1 4.48Å; I612-L640 HydrophobicContact CD1-CD1 3.54Å; I612-L640 HydrophobicContact CG2-CD1 4.4Å
613G89.4Confident87Confident4 Ų458.9 Ų58.94%0.04131%0.309CS..  trans-83.6146.3174.100000111.9N453 N576 K615 K616 L617N453-G613 CarbonylContact O-C 3.57Å; N453-G613 WeakPolarHBondContact O-CA 3.42Å; N576-G613 WeakPolarHBondContact OD1-CA 3.11Å; G613-K615 VanDerWaalsContact C-N 3.32Å; G613-K615 PolarHBondContact O-N 2.97Å; G613-K616 PolarHBondContact O-N 3.05Å; G613-K616 VanDerWaalsContact O-N 3.1Å; G613-L617 PolarHBondContact O-N 3.07Å
614I89.6Confident87.1Confident20 Ų2053.3 Ų53.310%0.10328%0.279CS..Hα-helixtrans-57.4-39.3-175.7-168.161.5000113.5I415 N453 S454 I577 K616 L617 L618I415-I614 HydrophobicContact CD1-CD1 4.08Å; I415-I614 HydrophobicContact CD1-CG1 4.25Å; N453-I614 PolarHBondContact O-N 3.4Å; S454-I614 VanDerWaalsContact O-CG2 3.28Å; S454-I614 WeakPolarHBondContact O-CG2 3.47Å; I577-I614 HydrophobicContact CD1-CD1 4.25Å; I614-K616 VanDerWaalsContact C-N 3.31Å; I614-K616 PolarHBondContact O-N 3.2Å; I614-L617 HydrophobicContact CD1-CD2 4.16Å; I614-L617 WeakPolarHBondContact O-CB 3.2Å; I614-L617 PolarHBondContact O-N 3.16Å; I614-L618 WeakPolarHBondContact O-CG 3.4Å; I614-L618 PolarHBondContact O-N 2.9Å
615K90.2Very high87.3Confident140 Ų14053.1 Ų53.161%0.60928%0.278SS*.Hα-helixtrans-67-36.1-179.9-174.9177.2-175.4173.40111.4N453 G613 M619N453-K615 HydrophobicContact CB-CB 4.12Å; N453-K615 WeakPolarHBondContact O-CB 3.38Å; N453-K615 PolarHBondContact O-N 2.88Å; G613-K615 VanDerWaalsContact C-N 3.32Å; G613-K615 PolarHBondContact O-N 2.97Å; K615-M619 PolarHBondContact O-N 3.11Å
616K90.5Very high87.6Confident46 Ų4660.1 Ų60.120%0.231%0.311CS..Hα-helixtrans-72.7-41.2175.6-170.971.4-177.2-155.30110.7N453 I612 G613 I614 L618 M619 L620 E643N453-K616 HydrophobicContact CB-CB 4.31Å; I612-K616 HydrophobicContact CG1-CB 4.37Å; G613-K616 PolarHBondContact O-N 3.05Å; G613-K616 VanDerWaalsContact O-N 3.1Å; I614-K616 VanDerWaalsContact C-N 3.31Å; I614-K616 PolarHBondContact O-N 3.2Å; K616-L618 PolarHBondContact O-N 2.87Å; K616-M619 HydrophobicContact CD-CE 3.77Å; K616-M619 HydrophobicContact CD-SD 4.49Å; K616-M619 WeakPolarHBondContact O-CB 3.03Å; K616-M619 PolarHBondContact O-N 3.04Å; K616-M619 VanDerWaalsContact O-N 3.15Å; K616-L620 WeakPolarHBondContact O-CG 3.13Å; K616-L620 PolarHBondContact O-N 3.4Å; K616-E643 WeakPolarHBondContact CE-OE1 3.27Å; K616-E643 WeakPolarHBondContact CE-OE2 3.41Å; K616-E643 IonicContact NZ-OE1 2.99Å; K616-E643 PolarHBondContact NZ-OE1 2.87Å; K616-E643 IonicContact NZ-OE2 3.33Å; K616-E643 PolarHBondContact NZ-OE2 2.8Å
617L90.4Very high88Confident0 Ų055.8 Ų55.80%029%0.294CS..Hα-helixtrans-55.9-48.7175.6176.161000111.5I577 L583 A586 I612 G613 I614 M619 L620 I621 F636I577-L617 HydrophobicContact CD1-CD2 3.59Å; L583-L617 HydrophobicContact CD1-CD1 3.68Å; L583-L617 HydrophobicContact CD1-CD2 3.61Å; L583-L617 HydrophobicContact CD1-CG 4.32Å; A586-L617 HydrophobicContact CB-CD2 4.15Å; I612-L617 HydrophobicContact CD1-CB 4.2Å; I612-L617 HydrophobicContact CD1-CD1 4.43Å; I612-L617 HydrophobicContact CG1-CB 4.35Å; G613-L617 PolarHBondContact O-N 3.07Å; I614-L617 HydrophobicContact CD1-CD2 4.16Å; I614-L617 WeakPolarHBondContact O-CB 3.2Å; I614-L617 PolarHBondContact O-N 3.16Å; L617-M619 VanDerWaalsContact C-N 3.29Å; L617-M619 PolarHBondContact O-N 3.46Å; L617-L620 PolarHBondContact O-N 3.1Å; L617-I621 HydrophobicContact CD1-CD1 4.01Å; L617-I621 HydrophobicContact CD1-CG1 4.11Å; L617-I621 HydrophobicContact CD2-CD1 4.49Å; L617-I621 HydrophobicContact CG-CD1 3.79Å; L617-I621 HydrophobicContact CG-CG1 4.36Å; L617-I621 VanDerWaalsContact O-CG1 3.26Å; L617-I621 WeakPolarHBondContact O-CG1 3.46Å; L617-I621 PolarHBondContact O-N 3.36Å; L617-F636 HydrophobicContact CD1-CE2 3.83Å; L617-F636 HydrophobicContact CD1-CZ 3.65Å
618L90.3Very high88.6Confident42 Ų4257 Ų5722%0.2228%0.279CS..Hα-helixtrans-52.6-45.8174.8-76.8167.3000112.6N412 L590 I614 K616 L620 I621 E622N412-L618 WeakPolarHBondContact ND2-CD1 3.26Å; L590-L618 HydrophobicContact CD1-CD2 3.8Å; L590-L618 HydrophobicContact CD2-CD2 3.6Å; L590-L618 HydrophobicContact CG-CD2 4.38Å; I614-L618 WeakPolarHBondContact O-CG 3.4Å; I614-L618 PolarHBondContact O-N 2.9Å; K616-L618 PolarHBondContact O-N 2.87Å; L618-L620 VanDerWaalsContact C-N 3.35Å; L618-L620 PolarHBondContact O-N 3.44Å; L618-I621 PolarHBondContact O-N 3.41Å; L618-E622 PolarHBondContact O-N 3.31Å
619M89.9Confident88.7Confident82 Ų8257.5 Ų57.540%0.40429%0.29SS..Hα-helixtrans-62.4-41177-169.3-165.979.500112K615 K616 L617 E622 M623K615-M619 PolarHBondContact O-N 3.11Å; K616-M619 HydrophobicContact CD-CE 3.77Å; K616-M619 HydrophobicContact CD-SD 4.49Å; K616-M619 WeakPolarHBondContact O-CB 3.03Å; K616-M619 PolarHBondContact O-N 3.04Å; K616-M619 VanDerWaalsContact O-N 3.15Å; L617-M619 VanDerWaalsContact C-N 3.29Å; L617-M619 PolarHBondContact O-N 3.46Å; M619-E622 PolarHBondContact O-N 3.38Å; M619-M623 HydrophobicContact CE-SD 4.07Å; M619-M623 HydrophobicContact CG-SD 4.4Å; M619-M623 WeakPolarHBondContact O-CB 3.16Å; M619-M623 VanDerWaalsContact O-CG 3.24Å; M619-M623 WeakPolarHBondContact O-CG 3.28Å; M619-M623 PolarHBondContact O-N 2.86Å
620L91.6Very high89Confident2 Ų261.5 Ų61.51%0.0131%0.306CS..Hα-helixtrans-67.5-38.3178.1-62-169.1000112.4I612 K616 L617 L618 A624 F636 L639 L640 E643I612-L620 HydrophobicContact CD1-CD1 3.6Å; K616-L620 WeakPolarHBondContact O-CG 3.13Å; K616-L620 PolarHBondContact O-N 3.4Å; L617-L620 PolarHBondContact O-N 3.1Å; L618-L620 VanDerWaalsContact C-N 3.35Å; L618-L620 PolarHBondContact O-N 3.44Å; L620-A624 WeakPolarHBondContact O-CB 3.48Å; L620-A624 PolarHBondContact O-N 2.96Å; L620-F636 HydrophobicContact CB-CD2 4.3Å; L620-F636 HydrophobicContact CB-CE2 4.08Å; L620-L639 HydrophobicContact CD1-CB 4.41Å; L620-L639 HydrophobicContact CD2-CB 4.06Å; L620-L639 HydrophobicContact CD2-CD1 4.48Å; L620-L640 HydrophobicContact CD1-CD1 4.39Å; L620-E643 HydrophobicContact CD1-CG 4.36Å; L620-E643 HydrophobicContact CD2-CG 4.31Å
621I90Very high89.3Confident4 Ų468.4 Ų68.42%0.02133%0.332CS..Hα-helixtrans-62.5-49.1176.2-65.6166.2000109.6L587 L590 S592 F593 L617 L618 M623 A624 A625 F636L587-I621 HydrophobicContact CD2-CD1 3.39Å; L587-I621 HydrophobicContact CD2-CG1 3.75Å; L590-I621 HydrophobicContact CD1-CD1 3.45Å; L590-I621 VanDerWaalsContact CD1-CD1 3.45Å; S592-I621 VanDerWaalsContact CB-CG2 3.42Å; S592-I621 WeakPolarHBondContact OG-CG2 3.49Å; F593-I621 HydrophobicContact CE2-CB 4.48Å; F593-I621 HydrophobicContact CE2-CG1 4.17Å; F593-I621 HydrophobicContact CE2-CG2 3.94Å; L617-I621 HydrophobicContact CD1-CD1 4.01Å; L617-I621 HydrophobicContact CD1-CG1 4.11Å; L617-I621 HydrophobicContact CD2-CD1 4.49Å; L617-I621 HydrophobicContact CG-CD1 3.79Å; L617-I621 HydrophobicContact CG-CG1 4.36Å; L617-I621 VanDerWaalsContact O-CG1 3.26Å; L617-I621 WeakPolarHBondContact O-CG1 3.46Å; L617-I621 PolarHBondContact O-N 3.36Å; L618-I621 PolarHBondContact O-N 3.41Å; I621-M623 PolarHBondContact O-N 3.46Å; I621-A624 PolarHBondContact O-N 2.95Å; I621-A624 VanDerWaalsContact O-N 3.13Å; I621-A625 WeakPolarHBondContact O-CB 3.42Å; I621-A625 PolarHBondContact O-N 3.12Å; I621-F636 HydrophobicContact CG1-CD2 4.45Å; I621-F636 HydrophobicContact CG1-CE2 3.82Å
622E89.9Confident89.4Confident114 Ų11465.9 Ų65.953%0.53332%0.323SS..Hα-helixtrans-63-42.6-179.1-165.959.3-151.800111.6L618 M619 A624 A625 Q626L618-E622 PolarHBondContact O-N 3.31Å; M619-E622 PolarHBondContact O-N 3.38Å; E622-A624 VanDerWaalsContact C-N 3.3Å; E622-A624 PolarHBondContact O-N 3.4Å; E622-A625 PolarHBondContact O-N 3.27Å; E622-Q626 WeakPolarHBondContact O-CG 3.06Å; E622-Q626 PolarHBondContact O-N 2.92Å; E622-Q626 PolarHBondContact OE1-NE2 2.86Å
623M89.6Confident89.4Confident95 Ų9567 Ų6747%0.46833%0.33SS..Hα-helixtrans-62-37.1174.6-73.3178.871.800112.8M619 I621 L639M619-M623 HydrophobicContact CE-SD 4.07Å; M619-M623 HydrophobicContact CG-SD 4.4Å; M619-M623 WeakPolarHBondContact O-CB 3.16Å; M619-M623 VanDerWaalsContact O-CG 3.24Å; M619-M623 WeakPolarHBondContact O-CG 3.28Å; M619-M623 PolarHBondContact O-N 2.86Å; I621-M623 PolarHBondContact O-N 3.46Å; M623-L639 HydrophobicContact CB-CD1 4.04Å; M623-L639 HydrophobicContact CE-CD2 4.48Å
624A89.9Confident89.3Confident0 Ų070.5 Ų70.50%035%0.354CS..Hα-helixtrans-73-33.9177.300000112.1F593 L620 I621 E622 Q626 M627 R632 F636F593-A624 HydrophobicContact CZ-CB 4.38Å; L620-A624 WeakPolarHBondContact O-CB 3.48Å; L620-A624 PolarHBondContact O-N 2.96Å; I621-A624 PolarHBondContact O-N 2.95Å; I621-A624 VanDerWaalsContact O-N 3.13Å; E622-A624 VanDerWaalsContact C-N 3.3Å; E622-A624 PolarHBondContact O-N 3.4Å; A624-Q626 PolarHBondContact O-N 3.3Å; A624-M627 WeakPolarHBondContact O-CB 3.15Å; A624-M627 PolarHBondContact O-N 3.29Å; A624-M627 VanDerWaalsContact O-N 3.15Å; A624-R632 WeakPolarHBondContact O-CG 3.42Å; A624-F636 HydrophobicContact CB-CB 3.78Å; A624-F636 HydrophobicContact CB-CD2 4.33Å
625A88.1Confident89.4Confident30 Ų3072.9 Ų72.925%0.24836%0.364CS..Hα-helixtrans-63.8-26.6179.400000113.4I621 E622 M627 R632I621-A625 WeakPolarHBondContact O-CB 3.42Å; I621-A625 PolarHBondContact O-N 3.12Å; E622-A625 PolarHBondContact O-N 3.27Å; A625-M627 VanDerWaalsContact C-N 3.25Å; A625-M627 PolarHBondContact O-N 2.93Å; A625-R632 PolarHBondContact O-NE 2.64Å; A625-R632 PolarHBondContact O-NH2 3.27Å
626Q89.8Confident89.4Confident149 Ų14966.2 Ų66.270%0.69634%0.335SS*.THydrogen-bonded Turntrans-73.1-11.8176.5-58.8-57.5-38.200114E622 A624E622-Q626 WeakPolarHBondContact O-CG 3.06Å; E622-Q626 PolarHBondContact O-N 2.92Å; E622-Q626 PolarHBondContact OE1-NE2 2.86Å; A624-Q626 PolarHBondContact O-N 3.3Å
627M90.4Very high89.4Confident82 Ų8265.7 Ų65.740%0.40433%0.334SS..SBendtrans-82.8158.3174.7-70.6-75.617800111.5A624 A625 R632 K635A624-M627 WeakPolarHBondContact O-CB 3.15Å; A624-M627 PolarHBondContact O-N 3.29Å; A624-M627 VanDerWaalsContact O-N 3.15Å; A625-M627 VanDerWaalsContact C-N 3.25Å; A625-M627 PolarHBondContact O-N 2.93Å; M627-R632 HydrophobicContact CB-CG 4.44Å; M627-R632 WeakPolarHBondContact O-CG 3.33Å; M627-R632 PolarHBondContact O-NE 2.98Å; M627-R632 VanDerWaalsContact O-NE 3.1Å; M627-K635 HydrophobicContact CE-CD 4.16Å; M627-K635 HydrophobicContact CE-CG 4.23Å; M627-K635 HydrophobicContact CG-CB 4.15Å; M627-K635 HydrophobicContact CG-CG 4Å
628D88.9Confident89.3Confident115 Ų11568.2 Ų68.262%0.61535%0.351SS*.  trans-53.6143.1170.9-68.8-43.2000110.8D630 Y631 R632D628-D630 PolarHBondContact O-N 2.8Å; D628-Y631 HydrophobicContact CB-CD2 4.08Å; D628-Y631 PolarHBondContact O-N 2.84Å; D628-R632 WeakPolarHBondContact O-CG 3.39Å; D628-R632 PolarHBondContact O-N 2.93Å
629P84.8Confident89.2Confident77 Ų7767.1 Ų67.150%0.535%0.345SS..Hα-helixtrans-48.2-41.4-173-3035.5000114.5Y631 R632P629-Y631 PolarHBondContact O-N 3Å; P629-R632 PolarHBondContact O-N 3.35Å
630D85.9Confident89.1Confident149 Ų14963.2 Ų63.280%0.79733%0.326SS*.Hα-helixtrans-66.7-24.2-178.5-62.6-32.2000113.6D628D628-D630 PolarHBondContact O-N 2.8Å
631Y89Confident88.8Confident152 Ų15270.5 Ų70.560%0.59635%0.354SS*.Hα-helixtrans-104.3-7-176-62.8-81.2000113.8D628 P629 V633 S634 K635D628-Y631 HydrophobicContact CB-CD2 4.08Å; D628-Y631 PolarHBondContact O-N 2.84Å; P629-Y631 PolarHBondContact O-N 3Å; Y631-V633 PolarHBondContact O-N 2.92Å; Y631-S634 PolarHBondContact O-N 3.05Å; Y631-K635 WeakPolarHBondContact O-CB 3.5Å; Y631-K635 PolarHBondContact O-N 2.65Å
632R89.8Confident88.5Confident73 Ų7375.8 Ų75.828%0.27538%0.382SS..Hα-helixtrans-56.7-51-176.8-66-174.8174.5173.6-5.3112.7F593 A624 A625 M627 D628 P629 K635 F636F593-R632 HydrophobicContact CE1-CB 4.32Å; A624-R632 WeakPolarHBondContact O-CG 3.42Å; A625-R632 PolarHBondContact O-NE 2.64Å; A625-R632 PolarHBondContact O-NH2 3.27Å; M627-R632 HydrophobicContact CB-CG 4.44Å; M627-R632 WeakPolarHBondContact O-CG 3.33Å; M627-R632 PolarHBondContact O-NE 2.98Å; M627-R632 VanDerWaalsContact O-NE 3.1Å; D628-R632 WeakPolarHBondContact O-CG 3.39Å; D628-R632 PolarHBondContact O-N 2.93Å; P629-R632 PolarHBondContact O-N 3.35Å; R632-K635 PolarHBondContact O-N 2.77Å; R632-F636 WeakPolarHBondContact O-CB 3.13Å; R632-F636 PolarHBondContact O-N 3.12Å
633V88.6Confident88Confident30 Ų3075.1 Ų75.118%0.18238%0.379CS..Hα-helixtrans-64.4-44.8-178.8177.30000111.4E597 I601 Y631 K635 F636 L637E597-V633 HydrophobicContact CB-CG2 3.55Å; E597-V633 HydrophobicContact CG-CG2 3.71Å; I601-V633 HydrophobicContact CG1-CG1 3.85Å; Y631-V633 PolarHBondContact O-N 2.92Å; V633-K635 PolarHBondContact O-N 2.56Å; V633-F636 PolarHBondContact O-N 3.49Å; V633-L637 WeakPolarHBondContact O-CB 3.3Å; V633-L637 HydrophobicContact CG1-CD1 4.02Å; V633-L637 PolarHBondContact O-N 2.96Å; V633-L637 WeakPolarHBondContact O-CG 3.33Å
634S88.9Confident87Confident79 Ų7972.2 Ų72.255%0.55237%0.373SS*.Hα-helixtrans-61-45.5177.6177.60000111.3Y631 L637 S638Y631-S634 PolarHBondContact O-N 3.05Å; S634-L637 PolarHBondContact O-N 3.02Å; S634-S638 PolarHBondContact O-N 2.7Å
635K90.6Very high85.8Confident70 Ų7072.2 Ų72.230%0.30437%0.373SS..Hα-helixtrans-65.4-44.7178.9-174.559.9177.3172.30111.7M627 Y631 R632 V633 L637 S638 L639M627-K635 HydrophobicContact CE-CD 4.16Å; M627-K635 HydrophobicContact CE-CG 4.23Å; M627-K635 HydrophobicContact CG-CB 4.15Å; M627-K635 HydrophobicContact CG-CG 4Å; Y631-K635 WeakPolarHBondContact O-CB 3.5Å; Y631-K635 PolarHBondContact O-N 2.65Å; R632-K635 PolarHBondContact O-N 2.77Å; V633-K635 PolarHBondContact O-N 2.56Å; K635-L637 PolarHBondContact O-N 2.59Å; K635-S638 WeakPolarHBondContact O-CB 3.47Å; K635-S638 PolarHBondContact O-N 3.26Å; K635-L639 HydrophobicContact CD-CD1 4.47Å; K635-L639 HydrophobicContact CD-CG 4.32Å; K635-L639 HydrophobicContact CG-CD1 4.11Å; K635-L639 HydrophobicContact CG-CG 4.4Å; K635-L639 VanDerWaalsContact O-CG 3.3Å; K635-L639 WeakPolarHBondContact O-CG 3.32Å; K635-L639 PolarHBondContact O-N 3.16Å
636F90.9Very high84.5Confident0 Ų071.4 Ų71.40%036%0.364CS..Hα-helixtrans-58.1-47.4176.5178.9-104.8000111.9L587 F593 I601 L617 L620 I621 A624 R632 V633 S638 L639 L640L587-F636 HydrophobicContact CD1-CE1 4.34Å; L587-F636 HydrophobicContact CD2-CZ 4.36Å; F593-F636 HydrophobicContact CZ-CB 4.13Å; F593-F636 HydrophobicContact CZ-CD2 4.17Å; F593-F636 HydrophobicContact CZ-CG 4.02Å; I601-F636 HydrophobicContact CD1-CD1 3.9Å; I601-F636 HydrophobicContact CD1-CE1 4.21Å; I601-F636 HydrophobicContact CG1-CD1 4.31Å; I601-F636 HydrophobicContact CG2-CE1 4.2Å; L617-F636 HydrophobicContact CD1-CE2 3.83Å; L617-F636 HydrophobicContact CD1-CZ 3.65Å; L620-F636 HydrophobicContact CB-CD2 4.3Å; L620-F636 HydrophobicContact CB-CE2 4.08Å; I621-F636 HydrophobicContact CG1-CD2 4.45Å; I621-F636 HydrophobicContact CG1-CE2 3.82Å; A624-F636 HydrophobicContact CB-CB 3.78Å; A624-F636 HydrophobicContact CB-CD2 4.33Å; R632-F636 WeakPolarHBondContact O-CB 3.13Å; R632-F636 PolarHBondContact O-N 3.12Å; V633-F636 PolarHBondContact O-N 3.49Å; F636-S638 PolarHBondContact O-N 3.34Å; F636-L639 PolarHBondContact O-N 3.36Å; F636-L640 HydrophobicContact CE1-CD2 4.13Å; F636-L640 HydrophobicContact CZ-CD2 4.42Å; F636-L640 VanDerWaalsContact O-CB 3.31Å; F636-L640 WeakPolarHBondContact O-CB 2.75Å; F636-L640 PolarHBondContact O-N 2.85Å
637L89.2Confident82.9Confident35 Ų3568.6 Ų68.618%0.18335%0.354CS..Hα-helixtrans-65.4-35.3178.6-70.3173.2000113I601 A604 V605 V633 S634 K635 R641I601-L637 HydrophobicContact CG2-CD2 4.49Å; A604-L637 HydrophobicContact CB-CD1 3.68Å; A604-L637 HydrophobicContact CB-CD2 3.89Å; A604-L637 HydrophobicContact CB-CG 4.48Å; V605-L637 HydrophobicContact CG2-CD2 4.26Å; V633-L637 WeakPolarHBondContact O-CB 3.3Å; V633-L637 HydrophobicContact CG1-CD1 4.02Å; V633-L637 PolarHBondContact O-N 2.96Å; V633-L637 WeakPolarHBondContact O-CG 3.33Å; S634-L637 PolarHBondContact O-N 3.02Å; K635-L637 PolarHBondContact O-N 2.59Å; L637-R641 WeakPolarHBondContact O-CB 3.49Å; L637-R641 PolarHBondContact O-N 2.83Å; L637-R641 VanDerWaalsContact O-N 3.1Å
638S89Confident80.8Confident52 Ų5266 Ų6636%0.36434%0.344SS..Hα-helixtrans-62.7-51.5171.7-177.30000110.8S634 K635 F636 L640 R641 D642S634-S638 PolarHBondContact O-N 2.7Å; K635-S638 WeakPolarHBondContact O-CB 3.47Å; K635-S638 PolarHBondContact O-N 3.26Å; F636-S638 PolarHBondContact O-N 3.34Å; S638-L640 VanDerWaalsContact C-N 3.29Å; S638-L640 PolarHBondContact O-N 2.9Å; S638-R641 PolarHBondContact O-N 2.87Å; S638-R641 WeakPolarHBondContact O-CB 3.29Å; S638-D642 PolarHBondContact O-N 2.86Å
639L89.1Confident78.7Confident19 Ų1970.4 Ų70.410%0.09936%0.358CS..Hα-helixtrans-61.3-39-179.8-69.8174.3000112L620 M623 K635 F636 R641 D642 E643L620-L639 HydrophobicContact CD1-CB 4.41Å; L620-L639 HydrophobicContact CD2-CB 4.06Å; L620-L639 HydrophobicContact CD2-CD1 4.48Å; M623-L639 HydrophobicContact CB-CD1 4.04Å; M623-L639 HydrophobicContact CE-CD2 4.48Å; K635-L639 HydrophobicContact CD-CD1 4.47Å; K635-L639 HydrophobicContact CD-CG 4.32Å; K635-L639 HydrophobicContact CG-CD1 4.11Å; K635-L639 HydrophobicContact CG-CG 4.4Å; K635-L639 VanDerWaalsContact O-CG 3.3Å; K635-L639 WeakPolarHBondContact O-CG 3.32Å; K635-L639 PolarHBondContact O-N 3.16Å; F636-L639 PolarHBondContact O-N 3.36Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 2.74Å; L639-D642 PolarHBondContact O-N 2.87Å; L639-E643 WeakPolarHBondContact O-CG 3.18Å; L639-E643 PolarHBondContact O-N 2.77Å; L639-E643 VanDerWaalsContact O-N 3.12Å
640L86.9Confident76.6Confident0 Ų074.2 Ų74.20%037%0.373CS..Hα-helixtrans-65.3-33.4176.3-172.460.7000112L583 L610 I612 L620 F636 S638 G645 L646L583-L640 HydrophobicContact CD2-CD2 3.98Å; L610-L640 HydrophobicContact CD2-CD2 4.2Å; I612-L640 HydrophobicContact CB-CD1 4.48Å; I612-L640 HydrophobicContact CD1-CD1 3.54Å; I612-L640 HydrophobicContact CG2-CD1 4.4Å; L620-L640 HydrophobicContact CD1-CD1 4.39Å; F636-L640 HydrophobicContact CE1-CD2 4.13Å; F636-L640 HydrophobicContact CZ-CD2 4.42Å; F636-L640 VanDerWaalsContact O-CB 3.31Å; F636-L640 WeakPolarHBondContact O-CB 2.75Å; F636-L640 PolarHBondContact O-N 2.85Å; S638-L640 VanDerWaalsContact C-N 3.29Å; S638-L640 PolarHBondContact O-N 2.9Å; L640-G645 CarbonylContact O-C 3.49Å; L640-G645 WeakPolarHBondContact O-CA 3.41Å; L640-G645 PolarHBondContact O-N 3.47Å; L640-L646 PolarHBondContact O-N 3.04Å; L640-L646 HydrophobicContact CG-CD1 3.73Å; L640-L646 HydrophobicContact CD2-CD1 3.37Å; L640-L646 HydrophobicContact CB-CD1 4.44Å
641R85.4Confident74.4Confident156 Ų15669.9 Ų69.959%0.58936%0.364SS*.Hα-helixtrans-72.2-43.5173.6-169.9-177.3-66.1-179.21.2111.7L637 S638 L639 E643 G644L637-R641 WeakPolarHBondContact O-CB 3.49Å; L637-R641 PolarHBondContact O-N 2.83Å; L637-R641 VanDerWaalsContact O-N 3.1Å; S638-R641 PolarHBondContact O-N 2.87Å; S638-R641 WeakPolarHBondContact O-CB 3.29Å; L639-R641 VanDerWaalsContact C-N 3.29Å; L639-R641 PolarHBondContact O-N 2.74Å; R641-E643 VanDerWaalsContact C-N 3.3Å; R641-E643 PolarHBondContact O-N 3.16Å; R641-G644 PolarHBondContact O-N 3Å
642D84.3Confident71.6Confident115 Ų11574 Ų7462%0.61538%0.378SS*.Hα-helixtrans-63.2-36.2-177.5-64.6-27.3000112.2S638 L639 G644S638-D642 PolarHBondContact O-N 2.86Å; L639-D642 PolarHBondContact O-N 2.87Å; D642-G644 PolarHBondContact O-N 2.62Å
643E79Confident68.8Low100 Ų10081.8 Ų81.847%0.46742%0.423SS..THydrogen-bonded Turntrans-78.35.6176.6-70.2-72.6164.600113.7K616 L620 L639 R641 G645K616-E643 WeakPolarHBondContact CE-OE1 3.27Å; K616-E643 WeakPolarHBondContact CE-OE2 3.41Å; K616-E643 IonicContact NZ-OE1 2.99Å; K616-E643 PolarHBondContact NZ-OE1 2.87Å; K616-E643 IonicContact NZ-OE2 3.33Å; K616-E643 PolarHBondContact NZ-OE2 2.8Å; L620-E643 HydrophobicContact CD1-CG 4.36Å; L620-E643 HydrophobicContact CD2-CG 4.31Å; L639-E643 WeakPolarHBondContact O-CG 3.18Å; L639-E643 PolarHBondContact O-N 2.77Å; L639-E643 VanDerWaalsContact O-N 3.12Å; R641-E643 VanDerWaalsContact C-N 3.3Å; R641-E643 PolarHBondContact O-N 3.16Å; E643-G645 PolarHBondContact O-N 2.83Å
644G68Low67.9Low34 Ų3484.4 Ų84.435%0.35144%0.435SS..THydrogen-bonded Turntrans71.113-176.300000113.6R641 D642 L646 S648R641-G644 PolarHBondContact O-N 3Å; D642-G644 PolarHBondContact O-N 2.62Å; G644-L646 VanDerWaalsContact C-N 3.3Å; G644-L646 PolarHBondContact O-N 2.77Å; G644-S648 WeakPolarHBondContact O-CB 3.3Å
645G64.1Low66.7Low0 Ų084.6 Ų84.60%043%0.428CS..  trans-73.4-18.618000000113.4L610 W611 L640 E643L610-G645 WeakPolarHBondContact CA-O 3.47Å; L610-G645 WeakPolarHBondContact CD2-O 3.49Å; W611-G645 PolarHBondContact N-O 2.66Å; L640-G645 CarbonylContact O-C 3.49Å; L640-G645 WeakPolarHBondContact O-CA 3.41Å; L640-G645 PolarHBondContact O-N 3.47Å; E643-G645 PolarHBondContact O-N 2.83Å
646L62.1Low65.4Low12 Ų1285.4 Ų85.46%0.06344%0.435CS..BIsolated β-bridgetrans-121128.9179.2-129.8106.9000110.3V605 K608 L610 L640 G644 S648V605-L646 HydrophobicContact CG2-CD1 4.21Å; K608-L646 HydrophobicContact CD-CD2 3.41Å; K608-L646 VanDerWaalsContact CD-CD2 3.41Å; K608-L646 HydrophobicContact CD-CG 4.03Å; L610-L646 HydrophobicContact CD2-CD1 3.85Å; L610-L646 HydrophobicContact CD2-CG 4.33Å; L640-L646 PolarHBondContact O-N 3.04Å; L640-L646 HydrophobicContact CG-CD1 3.73Å; L640-L646 HydrophobicContact CD2-CD1 3.37Å; L640-L646 HydrophobicContact CB-CD1 4.44Å; G644-L646 VanDerWaalsContact C-N 3.3Å; G644-L646 PolarHBondContact O-N 2.77Å; L646-S648 VanDerWaalsContact C-N 3.31Å; L646-S648 PolarHBondContact O-N 3.43Å
647D55.1Low63.9Low91 Ų9190.5 Ų90.549%0.48746%0.461SS..SBendtrans62.829.2179.9-62-39.1000114.9K608 S609 K649K608-D647 IonicContact NZ-OD2 3.62Å; S609-D647 PolarHBondContact O-N 3.47Å; D647-K649 PolarHBondContact O-N 2.98Å
648S48Very low62.3Low26 Ų2693.9 Ų93.918%0.18248%0.478CS..  trans-63.9107.2169.6145.20000110.5G644 L646 L650G644-S648 WeakPolarHBondContact O-CB 3.3Å; L646-S648 VanDerWaalsContact C-N 3.31Å; L646-S648 PolarHBondContact O-N 3.43Å; S648-L650 PolarHBondContact O-N 3.08Å; S648-L650 PolarHBondContact OG-N 3.32Å
649K43.5Very low60.6Low208 Ų20896.7 Ų96.790%0.90449%0.486SS*.THydrogen-bonded Turntrans-71.86166.4-75.6-173.7177.3179.30113.4D647D647-K649 PolarHBondContact O-N 2.98Å
650L41.8Very low58.5Low158 Ų158102.3 Ų102.383%0.82751%0.514SS*.THydrogen-bonded Turntrans-91.90.4-169.6-87.1143.7000114.8S648 R652S648-L650 PolarHBondContact O-N 3.08Å; S648-L650 PolarHBondContact OG-N 3.32Å; L650-R652 PolarHBondContact O-N 3.36Å
651G38.3Very low56.3Low58 Ų58110.2 Ų110.260%0.59855%0.553SS**  trans-86.124.6-176.400000117.1
652R31.4Very low53.9Low238 Ų238106.3 Ų106.390%0.89855%0.55SS**  trans-134.561.9172.1-82.8-167.7177.9-179.10111.1L650L650-R652 PolarHBondContact O-N 3.36Å
653I31.4Very low51.1Low236 Ų236105.5 Ų105.5100%1.2154%0.544SS*.  trans-142.60151.1-57.4-175.2000106.9

Retrieved 653 of 653 residues in 343.9 ms (Link to these results)

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