A0A087WZ06_HUMAN Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087WZ06, Species HUMAN (Homo sapiens, Human), Gene STK3, Length 380 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
1M42.4Very low51.6Low243 Ų243137.6 Ų137.6100%1.19775%0.748SS**  01080-66.9172.5-178.300106
2E40.6Very low54.6Low194 Ų194140.2 Ų140.291%0.90775%0.747SS**PPolyproline II helixtrans-68.7146.3165.6-78.4174.3110.400109
3Q35.9Very low57.4Low180 Ų180138.2 Ų138.284%0.84173%0.727SS**PPolyproline II helixtrans-75.4141.2166.3-66.9-176.9-3.100108.1
4P42Very low59.9Low113 Ų113129.7 Ų129.773%0.73468%0.683SS**PPolyproline II helixtrans-58.7140171.126.9-33.9000109A6P4-A6 PolarHBondContact O-N 3.43Å
5P43.3Very low61.9Low125 Ų125125 Ų12581%0.81267%0.665SS**PPolyproline II helixtrans-58.1139.3-179.324-33.6000110.3
6A43.3Very low63.6Low84 Ų84127.5 Ų127.569%0.69467%0.671SS**PPolyproline II helixtrans-54.5141.4179.400000110.5P4 K8P4-A6 PolarHBondContact O-N 3.43Å; A6-K8 PolarHBondContact O-N 3.03Å
7P45.1Very low64.9Low127 Ų127127.3 Ų127.383%0.82567%0.671SS**PPolyproline II helixtrans-59.1116.8-177.423.9-33.5000109.7S9P7-S9 PolarHBondContact O-N 3.48Å
8K55.3Low66.3Low161 Ų161120.8 Ų120.870%0.764%0.638SS**PPolyproline II helixtrans-53.2126.2-179.4-59.6-163-174.7-174.90109.2A6 K10 S49A6-K8 PolarHBondContact O-N 3.03Å; K8-K10 PolarHBondContact O-N 3.2Å; K8-S49 WeakPolarHBondContact CD-O 3.35Å
9S62.8Low67.6Low95 Ų95118.1 Ų118.166%0.66462%0.623SS**PPolyproline II helixtrans-60.5135.9-174.8560000111.2P7 L11P7-S9 PolarHBondContact O-N 3.48Å; S9-L11 PolarHBondContact O-N 2.78Å
10K73.9Confident68.7Low168 Ų168117.9 Ų117.973%0.7363%0.627SS**PPolyproline II helixtrans-53.5132.4172.1-75.7-163.6171.4-159.40110.4K8 K12K8-K10 PolarHBondContact O-N 3.2Å; K10-K12 PolarHBondContact O-N 3.28Å
11L83.6Confident69.9Low24 Ų24117.4 Ų117.413%0.12662%0.619CS.*PPolyproline II helixtrans-56.2133.2176.1-171.758.9000109.7S9 L14 H46 Q51 V53 Y86S9-L11 PolarHBondContact O-N 2.78Å; L11-L14 HydrophobicContact CD1-CD2 4.39Å; L11-H46 HydrophobicContact CD2-CB 4.11Å; L11-Q51 HydrophobicContact CB-CB 4.35Å; L11-V53 HydrophobicContact CD2-CG1 3.55Å; L11-Y86 HydrophobicContact CB-CE1 4.35Å; L11-Y86 HydrophobicContact CD2-CD2 4.07Å; L11-Y86 HydrophobicContact CD2-CE2 4.13Å; L11-Y86 HydrophobicContact CD2-CG 4.31Å; L11-Y86 HydrophobicContact CG-CD1 4.36Å; L11-Y86 HydrophobicContact CG-CE1 4.34Å; L11-Y86 WeakPolarHBondContact O-CE1 3.01Å
12K87.2Confident72.3Confident168 Ų168110.8 Ų110.873%0.7359%0.585SS**  trans-98.4-173.8172.5-62.9-179.8-178.2175.70108.6K10 Y86K10-K12 PolarHBondContact O-N 3.28Å; K12-Y86 WeakPolarHBondContact O-CD1 3.48Å
13K91.4Very high74.9Confident114 Ų114101.6 Ų101.650%0.49654%0.543SS..SBendtrans-54.2142.5162.6-70175.2177.3172.70109.5Q75 Y86K13-Q75 PolarHBondContact NZ-O 3.32Å; K13-Y86 CarbonylContact C-O 3.59Å; K13-Y86 WeakPolarHBondContact CA-O 3.41Å
14L91.6Very high77.6Confident20 Ų2096.2 Ų96.211%0.10552%0.518CS..PPolyproline II helixtrans-63.4147-178.2-60.7170.1000109.9L11 L19 F27 Y86 Y89 V98L11-L14 HydrophobicContact CD1-CD2 4.39Å; L14-L19 HydrophobicContact CB-CD1 4.43Å; L14-L19 HydrophobicContact CB-CD2 4.02Å; L14-L19 HydrophobicContact CB-CG 3.96Å; L14-L19 HydrophobicContact CD1-CD2 3.92Å; L14-F27 HydrophobicContact CD1-CE2 4.34Å; L14-F27 HydrophobicContact CD1-CZ 3.91Å; L14-F27 HydrophobicContact CD2-CZ 4.07Å; L14-Y86 PolarHBondContact N-O 3.3Å; L14-Y89 HydrophobicContact CD1-CE2 3.76Å; L14-V98 HydrophobicContact CD1-CB 4.47Å; L14-V98 HydrophobicContact CD1-CG2 4.4Å
15S89.5Confident80.1Confident59 Ų5996.5 Ų96.541%0.41351%0.509SS..PPolyproline II helixtrans-73.5159174.455.20000111.2D17 S18 L19S15-D17 PolarHBondContact O-N 3.29Å; S15-S18 WeakPolarHBondContact O-CA 3.45Å; S15-S18 WeakPolarHBondContact O-CB 3.38Å; S15-S18 PolarHBondContact O-N 3.24Å; S15-S18 VanDerWaalsContact OG-CB 3.29Å; S15-S18 WeakPolarHBondContact OG-CB 3.44Å; S15-S18 PolarHBondContact OG-N 3.37Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.28Å
16E89.1Confident82.6Confident165 Ų16591 Ų9177%0.77147%0.473SS*.Hα-helixtrans-58.4-38.9172.9-161.1167175.600111.1S18 L19 T20E16-S18 PolarHBondContact O-N 2.94Å; E16-L19 PolarHBondContact O-N 3.14Å; E16-T20 WeakPolarHBondContact O-CG2 3.29Å; E16-T20 PolarHBondContact O-N 3.28Å; E16-T20 VanDerWaalsContact O-N 3.14Å; E16-T20 PolarHBondContact O-OG1 3.36Å
17D87.1Confident85.1Confident124 Ų12487.1 Ų87.166%0.66344%0.441SS*.Hα-helixtrans-64.4-19.6172.6-49.6-47.1000114.3S15 T20 K21S15-D17 PolarHBondContact O-N 3.29Å; D17-T20 PolarHBondContact O-OG1 2.96Å; D17-K21 WeakPolarHBondContact O-CE 3.43Å
18S90.2Very high87.6Confident10 Ų1084.6 Ų84.67%0.0742%0.42CS..Hα-helixtrans-93-35.4176.5177.50000111.3S15 E16 T20 K21 V26 Y89S15-S18 WeakPolarHBondContact O-CA 3.45Å; S15-S18 WeakPolarHBondContact O-CB 3.38Å; S15-S18 PolarHBondContact O-N 3.24Å; S15-S18 VanDerWaalsContact OG-CB 3.29Å; S15-S18 WeakPolarHBondContact OG-CB 3.44Å; S15-S18 PolarHBondContact OG-N 3.37Å; E16-S18 PolarHBondContact O-N 2.94Å; S18-T20 VanDerWaalsContact C-N 3.29Å; S18-T20 PolarHBondContact O-N 2.81Å; S18-K21 PolarHBondContact O-N 3.43Å; S18-V26 WeakPolarHBondContact OG-CG1 3.35Å; S18-Y89 WeakPolarHBondContact O-CE1 3.46Å; S18-Y89 PolarHBondContact O-OH 3.48Å; S18-Y89 PolarHBondContact OG-OH 3.46Å
19L90.5Very high89.5Confident70 Ų7079.7 Ų79.737%0.36640%0.404SS..Hα-helixtrans-74.8-14.8177.5-68.5169.2000113.8L14 S15 E16 Y89L14-L19 HydrophobicContact CB-CD1 4.43Å; L14-L19 HydrophobicContact CB-CD2 4.02Å; L14-L19 HydrophobicContact CB-CG 3.96Å; L14-L19 HydrophobicContact CD1-CD2 3.92Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.28Å; E16-L19 PolarHBondContact O-N 3.14Å; L19-Y89 HydrophobicContact CD2-CE1 4.46Å; L19-Y89 HydrophobicContact CD2-CE2 4.06Å
20T89.9Confident90.9Very high113 Ų11378.4 Ų78.469%0.69339%0.389SS*.THydrogen-bonded Turntrans-88.4-5.5175.743.90000114.4E16 D17 S18E16-T20 WeakPolarHBondContact O-CG2 3.29Å; E16-T20 PolarHBondContact O-N 3.28Å; E16-T20 VanDerWaalsContact O-N 3.14Å; E16-T20 PolarHBondContact O-OG1 3.36Å; D17-T20 PolarHBondContact O-OG1 2.96Å; S18-T20 VanDerWaalsContact C-N 3.29Å; S18-T20 PolarHBondContact O-N 2.81Å
21K93.5Very high91.7Very high108 Ų10873.5 Ų73.547%0.4737%0.369SS..SBendtrans-92.8164175.9-63.5178.1-175175.80111.8D17 S18 V26 Y89D17-K21 WeakPolarHBondContact O-CE 3.43Å; S18-K21 PolarHBondContact O-N 3.43Å; K21-V26 HydrophobicContact CB-CG2 3.77Å; K21-V26 HydrophobicContact CD-CG2 4.03Å; K21-Y89 WeakPolarHBondContact O-CD1 3.47Å; K21-Y89 WeakPolarHBondContact O-CE1 3.32Å
22Q93.2Very high92.1Very high104 Ų10476.8 Ų76.849%0.48638%0.382SS..  trans-66.3142.2167.9-62.3-61.1-18.800110.4E24 E25Q22-E24 PolarHBondContact O-N 2.95Å; Q22-E25 HydrophobicContact CB-CG 4.25Å; Q22-E25 WeakPolarHBondContact O-CB 3.43Å; Q22-E25 PolarHBondContact O-N 2.93Å
23P94.1Very high92.3Very high1 Ų170.5 Ų70.51%0.00636%0.356CS..Hα-helixtrans-61.5-31.4-176.222.7-30.5000112.5E25 V26 F27 Y89 K91 W96P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 3.28Å; P23-V26 PolarHBondContact O-N 2.68Å; P23-F27 WeakPolarHBondContact O-CD2 3.46Å; P23-F27 PolarHBondContact O-N 3.46Å; P23-Y89 HydrophobicContact CB-CD1 4.22Å; P23-Y89 HydrophobicContact CB-CD2 4.26Å; P23-Y89 HydrophobicContact CB-CG 4Å; P23-Y89 HydrophobicContact CG-CG 4.45Å; P23-K91 HydrophobicContact CG-CB 4.38Å; P23-K91 HydrophobicContact CG-CD 4.05Å; P23-W96 HydrophobicContact CB-CD2 4.37Å; P23-W96 HydrophobicContact CB-CE3 3.67Å; P23-W96 HydrophobicContact CB-CZ3 3.83Å; P23-W96 HydrophobicContact CG-CD2 4.17Å; P23-W96 HydrophobicContact CG-CE3 3.88Å; P23-W96 HydrophobicContact CG-CH2 4.36Å; P23-W96 HydrophobicContact CG-CZ3 3.99Å
24E92.5Very high92.1Very high68 Ų6866.7 Ų66.732%0.31835%0.349SS..Hα-helixtrans-66-21.8175.5-65.277-170.200114Q22 K47 K91 W96Q22-E24 PolarHBondContact O-N 2.95Å; E24-K47 WeakPolarHBondContact O-CE 3.36Å; E24-K47 PolarHBondContact O-NZ 3.37Å; E24-K91 WeakPolarHBondContact OE1-CD 3.48Å; E24-K91 WeakPolarHBondContact OE1-CE 3.47Å; E24-K91 IonicContact OE1-NZ 2.68Å; E24-K91 PolarHBondContact OE1-NZ 2.85Å; E24-K91 WeakPolarHBondContact OE2-CD 3.35Å; E24-W96 WeakPolarHBondContact OE1-CH2 3.49Å
25E94.1Very high91.9Very high118 Ų11872.3 Ų72.355%0.55138%0.375SS*.Hα-helixtrans-77.7-26.7172.6-64.1172.8-150.500111.6Q22 P23 K47Q22-E25 HydrophobicContact CB-CG 4.25Å; Q22-E25 WeakPolarHBondContact O-CB 3.43Å; Q22-E25 PolarHBondContact O-N 2.93Å; P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 3.28Å; E25-K47 WeakPolarHBondContact O-CE 3.11Å
26V96.4Very high91.3Very high10 Ų1071.6 Ų71.66%0.06138%0.377CS..Hα-helixtrans-100.8-27.1-170.9-177.10000112.3S18 K21 P23 H46 K47S18-V26 WeakPolarHBondContact OG-CG1 3.35Å; K21-V26 HydrophobicContact CB-CG2 3.77Å; K21-V26 HydrophobicContact CD-CG2 4.03Å; P23-V26 PolarHBondContact O-N 2.68Å; V26-H46 PolarHBondContact O-CD2 2.95Å; V26-K47 WeakPolarHBondContact O-CG 3.35Å; V26-K47 PolarHBondContact O-N 2.8Å
27F96.9Very high90.7Very high3 Ų369.4 Ų69.41%0.01338%0.38CS..EExtended strand (participates in β ladder)trans-131.7135.7-177.5-58.4-81.9000112.3L14 P23 A44 I45 H46 K47 V53 I55 Y89 V98L14-F27 HydrophobicContact CD1-CE2 4.34Å; L14-F27 HydrophobicContact CD1-CZ 3.91Å; L14-F27 HydrophobicContact CD2-CZ 4.07Å; P23-F27 WeakPolarHBondContact O-CD2 3.46Å; P23-F27 PolarHBondContact O-N 3.46Å; F27-A44 HydrophobicContact CB-CB 4.2Å; F27-I45 CarbonylContact C-O 3.59Å; F27-I45 VanDerWaalsContact CA-O 3.31Å; F27-I45 WeakPolarHBondContact CA-O 3.49Å; F27-H46 HydrophobicContact CD1-CB 4.02Å; F27-H46 HydrophobicContact CE1-CB 3.79Å; F27-H46 AromaticContact CE1-CD2 3.58Å; F27-H46 AromaticContact CZ-CD2 3.86Å; F27-K47 VanDerWaalsContact O-CE 3.3Å; F27-K47 WeakPolarHBondContact O-CE 3.17Å; F27-V53 HydrophobicContact CD1-CG2 3.76Å; F27-V53 HydrophobicContact CE1-CG2 3.8Å; F27-I55 HydrophobicContact CB-CD1 4.02Å; F27-I55 HydrophobicContact CD1-CD1 4.28Å; F27-I55 HydrophobicContact CD2-CD1 4.21Å; F27-I55 HydrophobicContact CG-CD1 3.9Å; F27-Y89 AromaticContact CE2-CE2 3.67Å; F27-Y89 HydrophobicContact CE2-CE2 3.67Å; F27-Y89 HydrophobicContact CZ-CE2 4.48Å; F27-V98 HydrophobicContact CE1-CG1 3.84Å; F27-V98 HydrophobicContact CE2-CG2 4.06Å; F27-V98 HydrophobicContact CZ-CB 4.47Å; F27-V98 HydrophobicContact CZ-CG1 3.73Å; F27-V98 HydrophobicContact CZ-CG2 4.03Å
28D96.2Very high90.4Very high74 Ų7469.7 Ų69.740%0.39637%0.373SS..EExtended strand (participates in β ladder)trans-87.9107.9161.7-62.9-49.3000107.2A44 I45 K47D28-A44 CarbonylContact O-C 3.57Å; D28-A44 WeakPolarHBondContact O-CA 3.33Å; D28-A44 WeakPolarHBondContact O-CB 3.31Å; D28-I45 PolarHBondContact N-O 2.84Å; D28-I45 PolarHBondContact O-N 2.85Å; D28-K47 WeakPolarHBondContact OD1-CD 3.3Å; D28-K47 WeakPolarHBondContact OD1-CE 3.13Å; D28-K47 IonicContact OD1-NZ 2.69Å; D28-K47 PolarHBondContact OD1-NZ 2.9Å; D28-K47 WeakPolarHBondContact OD2-CG 3.19Å
29V95.1Very high90.2Very high58 Ų5870.2 Ų70.235%0.35238%0.379SS..EExtended strand (participates in β ladder)trans-76.6136.9177.7-174.10000109.2F42 I55 W96V29-F42 HydrophobicContact CG1-CB 3.9Å; V29-F42 HydrophobicContact CG1-CD1 4.15Å; V29-F42 HydrophobicContact CG1-CG 4.18Å; V29-I55 HydrophobicContact CG2-CD1 4.47Å; V29-W96 HydrophobicContact CG2-CH2 4.33Å; V29-W96 HydrophobicContact CG2-CZ3 3.98Å
30L93.9Very high90.3Very high67 Ų6767.8 Ų67.835%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-122.2-148.3-176.3-55.1179.7000109.7K43 I45L30-K43 WeakPolarHBondContact CA-O 3.49Å; L30-K43 HydrophobicContact CB-CB 4.27Å; L30-K43 HydrophobicContact CB-CG 4.38Å; L30-K43 HydrophobicContact CD1-CG 4.27Å; L30-K43 PolarHBondContact N-O 3.49Å; L30-I45 HydrophobicContact CD1-CD1 3.85Å; L30-I45 HydrophobicContact CD1-CG1 3.86Å
31E90.1Very high90.5Very high65 Ų6564 Ų6430%0.30435%0.345SS..EExtended strand (participates in β ladder)trans-62.6146.7-171.672.7-85.3-156.900114.4L33 K43 H191E31-L33 PolarHBondContact O-N 3.3Å; E31-K43 PolarHBondContact O-N 2.77Å; E31-K43 WeakPolarHBondContact OE1-CD 3.44Å; E31-K43 IonicContact OE1-NZ 2.63Å; E31-K43 PolarHBondContact OE1-NZ 2.58Å; E31-K43 IonicContact OE2-NZ 3.95Å; E31-K43 PolarHBondContact OE2-NZ 3.4Å; E31-H191 WeakPolarHBondContact CB-NE2 3.41Å
32K92Very high90.6Very high94 Ų9460.8 Ų60.841%0.40933%0.331SS..EExtended strand (participates in β ladder)trans-67114.7169.6-175.1164.2168.4168.10108.7E35 S40 F42K32-E35 WeakPolarHBondContact CE-OE2 3.32Å; K32-E35 IonicContact NZ-OE2 3.42Å; K32-E35 PolarHBondContact NZ-OE2 2.85Å; K32-S40 VanDerWaalsContact CE-OG 3.23Å; K32-S40 WeakPolarHBondContact CE-OG 3.46Å; K32-S40 PolarHBondContact NZ-OG 3.02Å; K32-F42 HydrophobicContact CB-CD1 3.9Å; K32-F42 HydrophobicContact CB-CE1 3.68Å; K32-F42 HydrophobicContact CB-CZ 4.34Å; K32-F42 HydrophobicContact CD-CE1 4.19Å; K32-F42 HydrophobicContact CD-CZ 4.03Å; K32-F42 HydrophobicContact CG-CD1 4.43Å; K32-F42 HydrophobicContact CG-CE1 4.06Å; K32-F42 HydrophobicContact CG-CZ 4.22Å
33L90.7Very high90.8Very high36 Ų3657.7 Ų57.719%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-77.2-26.6-177.5-69.7170.8000112.9E31 V41 K43 A54 Y101 K187E31-L33 PolarHBondContact O-N 3.3Å; L33-V41 WeakPolarHBondContact CA-O 3.33Å; L33-V41 WeakPolarHBondContact CB-O 3.46Å; L33-V41 HydrophobicContact CD1-CG1 4.33Å; L33-V41 PolarHBondContact N-O 3Å; L33-K43 HydrophobicContact CD1-CB 3.93Å; L33-K43 HydrophobicContact CD2-CB 4.04Å; L33-K43 HydrophobicContact CG-CB 3.91Å; L33-A54 HydrophobicContact CD1-CB 4.33Å; L33-Y101 HydrophobicContact CD1-CD2 3.98Å; L33-Y101 HydrophobicContact CD1-CE2 3.64Å; L33-Y101 HydrophobicContact CD2-CE2 3.9Å; L33-Y101 HydrophobicContact CG-CE2 4.43Å; L33-K187 PolarHBondContact O-NZ 3.06Å
34G87.8Confident91Very high34 Ų3457.6 Ų57.635%0.35132%0.316SS..EExtended strand (participates in β ladder)trans164.1-173.8-179.400000111.8V41G34-V41 PolarHBondContact N-O 2.91Å; G34-V41 PolarHBondContact O-N 3.22Å
35E87.6Confident91.2Very high137 Ų13757 Ų5764%0.6431%0.314SS*.EExtended strand (participates in β ladder)trans-142.7152.1179.3-168176.4137.900109.4K32K32-E35 WeakPolarHBondContact CE-OE2 3.32Å; K32-E35 IonicContact NZ-OE2 3.42Å; K32-E35 PolarHBondContact NZ-OE2 2.85Å
36G77.5Confident91.3Very high44 Ų4451.7 Ų51.745%0.45429%0.289SS..EExtended strand (participates in β ladder)trans-142.8-177.3174.900000111.7Y38 G39G36-Y38 PolarHBondContact O-N 2.74Å; G36-G39 PolarHBondContact N-O 3.32Å; G36-G39 PolarHBondContact O-N 3.06Å
37S75.2Confident91.2Very high120 Ų12055.4 Ų55.484%0.83930%0.304SS*.THydrogen-bonded Turntrans-59.1-4.5-174.3-49.30000116.4
38Y80.6Confident91Very high130 Ų13063.4 Ų63.451%0.5134%0.342SS..THydrogen-bonded Turntrans-132.830-177.5-54.6-87.9000111.3G36 V58G36-Y38 PolarHBondContact O-N 2.74Å; Y38-V58 WeakPolarHBondContact O-CG1 3.35Å; Y38-V58 WeakPolarHBondContact O-CG2 3.45Å
39G86.1Confident90.9Very high20 Ų2060.8 Ų60.821%0.20633%0.329CS..EExtended strand (participates in β ladder)trans103.7-170.7175.800000115.8G36 Q57G36-G39 PolarHBondContact N-O 3.32Å; G36-G39 PolarHBondContact O-N 3.06Å; G39-Q57 WeakPolarHBondContact CA-O 3.39Å
40S92.8Very high90.8Very high19 Ų1959.7 Ų59.713%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-94.4149.8-166.9-70.40000113K32 F42 K56 Q57K32-S40 VanDerWaalsContact CE-OG 3.23Å; K32-S40 WeakPolarHBondContact CE-OG 3.46Å; K32-S40 PolarHBondContact NZ-OG 3.02Å; S40-F42 VanDerWaalsContact CB-CE2 3.43Å; S40-K56 CarbonylContact O-C 3.59Å; S40-K56 WeakPolarHBondContact O-CA 3.33Å; S40-Q57 PolarHBondContact N-O 2.89Å; S40-Q57 PolarHBondContact O-N 2.73Å
41V95Very high90.9Very high35 Ų3558.6 Ų58.621%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-119.6126174.4-173.80000109.8L33 G34 A54 I55 K56 M99L33-V41 WeakPolarHBondContact CA-O 3.33Å; L33-V41 WeakPolarHBondContact CB-O 3.46Å; L33-V41 HydrophobicContact CD1-CG1 4.33Å; L33-V41 PolarHBondContact N-O 3Å; G34-V41 PolarHBondContact N-O 2.91Å; G34-V41 PolarHBondContact O-N 3.22Å; V41-A54 HydrophobicContact CG1-CB 4.24Å; V41-I55 CarbonylContact C-O 3.57Å; V41-I55 WeakPolarHBondContact CA-O 3.08Å; V41-K56 HydrophobicContact CG2-CB 4.15Å; V41-K56 HydrophobicContact CG2-CG 4.15Å; V41-M99 HydrophobicContact CG1-CE 3.78Å
42F95.8Very high91.2Very high39 Ų3957.8 Ų57.817%0.17132%0.322CS..EExtended strand (participates in β ladder)trans-114.1153.7179.8-64.5-97.3000111.2V29 K32 S40 A54 I55 Q57V29-F42 HydrophobicContact CG1-CB 3.9Å; V29-F42 HydrophobicContact CG1-CD1 4.15Å; V29-F42 HydrophobicContact CG1-CG 4.18Å; K32-F42 HydrophobicContact CB-CD1 3.9Å; K32-F42 HydrophobicContact CB-CE1 3.68Å; K32-F42 HydrophobicContact CB-CZ 4.34Å; K32-F42 HydrophobicContact CD-CE1 4.19Å; K32-F42 HydrophobicContact CD-CZ 4.03Å; K32-F42 HydrophobicContact CG-CD1 4.43Å; K32-F42 HydrophobicContact CG-CE1 4.06Å; K32-F42 HydrophobicContact CG-CZ 4.22Å; S40-F42 VanDerWaalsContact CB-CE2 3.43Å; F42-A54 CarbonylContact O-C 3.59Å; F42-A54 VanDerWaalsContact O-CA 3.32Å; F42-A54 WeakPolarHBondContact O-CA 3.28Å; F42-I55 PolarHBondContact N-O 2.9Å; F42-I55 PolarHBondContact O-N 2.58Å; F42-Q57 HydrophobicContact CD2-CG 4.48Å
43K96.6Very high91.5Very high39 Ų3953.3 Ų53.317%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-81.8146163.4-178165134.1-114.30108.5L30 E31 L33 V52 Y101L30-K43 WeakPolarHBondContact CA-O 3.49Å; L30-K43 HydrophobicContact CB-CB 4.27Å; L30-K43 HydrophobicContact CB-CG 4.38Å; L30-K43 HydrophobicContact CD1-CG 4.27Å; L30-K43 PolarHBondContact N-O 3.49Å; E31-K43 PolarHBondContact O-N 2.77Å; E31-K43 WeakPolarHBondContact OE1-CD 3.44Å; E31-K43 IonicContact OE1-NZ 2.63Å; E31-K43 PolarHBondContact OE1-NZ 2.58Å; E31-K43 IonicContact OE2-NZ 3.95Å; E31-K43 PolarHBondContact OE2-NZ 3.4Å; L33-K43 HydrophobicContact CD1-CB 3.93Å; L33-K43 HydrophobicContact CD2-CB 4.04Å; L33-K43 HydrophobicContact CG-CB 3.91Å; K43-V52 HydrophobicContact CD-CG1 4.03Å; K43-V52 HydrophobicContact CG-CG1 3.71Å; K43-Y101 HydrophobicContact CB-CE2 4.5Å; K43-Y101 HydrophobicContact CD-CE1 4.46Å; K43-Y101 HydrophobicContact CD-CE2 3.97Å; K43-Y101 HydrophobicContact CG-CE2 4.18Å
44A97.7Very high91.8Very high0 Ų051.9 Ų51.90%030%0.296CS..EExtended strand (participates in β ladder)trans-148.2162.9170.700000111.6F27 D28 V52 V53 I55F27-A44 HydrophobicContact CB-CB 4.2Å; D28-A44 CarbonylContact O-C 3.57Å; D28-A44 WeakPolarHBondContact O-CA 3.33Å; D28-A44 WeakPolarHBondContact O-CB 3.31Å; A44-V52 CarbonylContact O-C 3.52Å; A44-V52 WeakPolarHBondContact O-CA 3.24Å; A44-V53 HydrophobicContact CB-CG2 3.94Å; A44-V53 PolarHBondContact N-O 3.27Å; A44-V53 PolarHBondContact O-N 3.29Å; A44-I55 HydrophobicContact CB-CD1 3.61Å; A44-I55 HydrophobicContact CB-CG1 4.02Å
45I97.3Very high92.2Very high54 Ų5450.3 Ų50.328%0.27728%0.279SS..EExtended strand (participates in β ladder)trans-111.8124.5171.5-63.4174.6000108.6F27 D28 L30 K47 V52F27-I45 CarbonylContact C-O 3.59Å; F27-I45 VanDerWaalsContact CA-O 3.31Å; F27-I45 WeakPolarHBondContact CA-O 3.49Å; D28-I45 PolarHBondContact N-O 2.84Å; D28-I45 PolarHBondContact O-N 2.85Å; L30-I45 HydrophobicContact CD1-CD1 3.85Å; L30-I45 HydrophobicContact CD1-CG1 3.86Å; I45-K47 PolarHBondContact O-N 3.04Å; I45-V52 HydrophobicContact CG1-CG2 4.48Å
46H96.8Very high92.6Very high8 Ų845.2 Ų45.24%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-71.3112.9170.5179.2-111.7000109.7L11 V26 F27 E48 S49 G50 Q51L11-H46 HydrophobicContact CD2-CB 4.11Å; V26-H46 PolarHBondContact O-CD2 2.95Å; F27-H46 HydrophobicContact CD1-CB 4.02Å; F27-H46 HydrophobicContact CE1-CB 3.79Å; F27-H46 AromaticContact CE1-CD2 3.58Å; F27-H46 AromaticContact CZ-CD2 3.86Å; H46-E48 PolarHBondContact O-N 3.48Å; H46-S49 PolarHBondContact ND1-OG 3.17Å; H46-S49 PolarHBondContact O-N 3.18Å; H46-G50 WeakPolarHBondContact O-CA 3.49Å; H46-G50 PolarHBondContact O-N 3.07Å; H46-Q51 PolarHBondContact N-O 3.21Å
47K94.8Very high93.3Very high87 Ų8744.8 Ų44.838%0.37824%0.241SC..THydrogen-bonded Turntrans-60.5-42.9-162.2-51.8-164.1-157.5-150.10113.4E24 E25 V26 F27 D28 I45E24-K47 WeakPolarHBondContact O-CE 3.36Å; E24-K47 PolarHBondContact O-NZ 3.37Å; E25-K47 WeakPolarHBondContact O-CE 3.11Å; V26-K47 WeakPolarHBondContact O-CG 3.35Å; V26-K47 PolarHBondContact O-N 2.8Å; F27-K47 VanDerWaalsContact O-CE 3.3Å; F27-K47 WeakPolarHBondContact O-CE 3.17Å; D28-K47 WeakPolarHBondContact OD1-CD 3.3Å; D28-K47 WeakPolarHBondContact OD1-CE 3.13Å; D28-K47 IonicContact OD1-NZ 2.69Å; D28-K47 PolarHBondContact OD1-NZ 2.9Å; D28-K47 WeakPolarHBondContact OD2-CG 3.19Å; I45-K47 PolarHBondContact O-N 3.04Å
48E92.8Very high94Very high171 Ų17139.1 Ų39.180%0.79920%0.202SC*.THydrogen-bonded Turntrans-64.8-45-178-171.9-169.6164.600112.6H46H46-E48 PolarHBondContact O-N 3.48Å
49S92.8Very high94.4Very high20 Ų2035.6 Ų35.614%0.1420%0.195CC..THydrogen-bonded Turntrans-92.5-17-176.867.30000113.5K8 H46 Q51K8-S49 WeakPolarHBondContact CD-O 3.35Å; H46-S49 PolarHBondContact ND1-OG 3.17Å; H46-S49 PolarHBondContact O-N 3.18Å; S49-Q51 PolarHBondContact O-N 3.24Å; S49-Q51 WeakPolarHBondContact OG-CB 3.48Å; S49-Q51 PolarHBondContact OG-N 3.27Å
50G93.7Very high94.1Very high34 Ų3436 Ų3635%0.35119%0.193SC..THydrogen-bonded Turntrans60.718.9-168.300000114H46H46-G50 WeakPolarHBondContact O-CA 3.49Å; H46-G50 PolarHBondContact O-N 3.07Å
51Q95.5Very high93.3Very high44 Ų4443.8 Ų43.821%0.20623%0.228CC..EExtended strand (participates in β ladder)trans-82.7134.5176.9-167.5-175.2-68.300110.5L11 H46 S49 Y86L11-Q51 HydrophobicContact CB-CB 4.35Å; H46-Q51 PolarHBondContact N-O 3.21Å; S49-Q51 PolarHBondContact O-N 3.24Å; S49-Q51 WeakPolarHBondContact OG-CB 3.48Å; S49-Q51 PolarHBondContact OG-N 3.27Å; Q51-Y86 PolarHBondContact NE2-OH 3.42Å; Q51-Y86 VanDerWaalsContact NE2-OH 3.17Å
52V96.9Very high92Very high48 Ų4844.2 Ų44.229%0.29123%0.232SC..EExtended strand (participates in β ladder)trans-70.3132.9170.2-167.80000110.4K43 A44 I45 Y101K43-V52 HydrophobicContact CD-CG1 4.03Å; K43-V52 HydrophobicContact CG-CG1 3.71Å; A44-V52 CarbonylContact O-C 3.52Å; A44-V52 WeakPolarHBondContact O-CA 3.24Å; I45-V52 HydrophobicContact CG1-CG2 4.48Å; V52-Y101 HydrophobicContact CB-CD1 4.04Å; V52-Y101 HydrophobicContact CB-CG 4.38Å; V52-Y101 HydrophobicContact CG1-CD1 3.5Å; V52-Y101 VanDerWaalsContact CG1-CD1 3.5Å; V52-Y101 HydrophobicContact CG1-CD2 4.19Å; V52-Y101 HydrophobicContact CG1-CE1 3.92Å; V52-Y101 HydrophobicContact CG1-CG 3.64Å
53V97.8Very high91.1Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-128.3167175.2-60.90000109.7L11 F27 A44 I55 Y86 V98L11-V53 HydrophobicContact CD2-CG1 3.55Å; F27-V53 HydrophobicContact CD1-CG2 3.76Å; F27-V53 HydrophobicContact CE1-CG2 3.8Å; A44-V53 HydrophobicContact CB-CG2 3.94Å; A44-V53 PolarHBondContact N-O 3.27Å; A44-V53 PolarHBondContact O-N 3.29Å; V53-I55 HydrophobicContact CG2-CG1 4.31Å; V53-Y86 HydrophobicContact CG1-CD2 4.14Å; V53-Y86 HydrophobicContact CG1-CE2 4.03Å; V53-V98 HydrophobicContact CB-CG1 4.16Å; V53-V98 HydrophobicContact CG1-CG1 4.43Å; V53-V98 HydrophobicContact CG2-CG1 4.05Å
54A97.6Very high90.3Very high6 Ų649.3 Ų49.35%0.0526%0.263CS..EExtended strand (participates in β ladder)trans-107.5144.3163.500000109.5L33 V41 F42 M99 Y101L33-A54 HydrophobicContact CD1-CB 4.33Å; V41-A54 HydrophobicContact CG1-CB 4.24Å; F42-A54 CarbonylContact O-C 3.59Å; F42-A54 VanDerWaalsContact O-CA 3.32Å; F42-A54 WeakPolarHBondContact O-CA 3.28Å; A54-M99 HydrophobicContact CB-CE 3.86Å; A54-M99 HydrophobicContact CB-CG 3.97Å; A54-M99 PolarHBondContact N-O 3.39Å; A54-M99 WeakPolarHBondContact O-CG 3.26Å; A54-M99 PolarHBondContact O-N 3.25Å; A54-Y101 HydrophobicContact CB-CD2 4.44Å
55I96.6Very high89.6Confident1 Ų156.3 Ų56.31%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-122.1119.1175.5-57.9-177000107.5F27 V29 V41 F42 A44 V53 W96 I97 V98F27-I55 HydrophobicContact CB-CD1 4.02Å; F27-I55 HydrophobicContact CD1-CD1 4.28Å; F27-I55 HydrophobicContact CD2-CD1 4.21Å; F27-I55 HydrophobicContact CG-CD1 3.9Å; V29-I55 HydrophobicContact CG2-CD1 4.47Å; V41-I55 CarbonylContact C-O 3.57Å; V41-I55 WeakPolarHBondContact CA-O 3.08Å; F42-I55 PolarHBondContact N-O 2.9Å; F42-I55 PolarHBondContact O-N 2.58Å; A44-I55 HydrophobicContact CB-CD1 3.61Å; A44-I55 HydrophobicContact CB-CG1 4.02Å; V53-I55 HydrophobicContact CG2-CG1 4.31Å; I55-W96 HydrophobicContact CD1-CE3 4.35Å; I55-W96 HydrophobicContact CG2-CB 4.12Å; I55-W96 HydrophobicContact CG2-CD2 4.23Å; I55-W96 HydrophobicContact CG2-CE3 3.76Å; I55-W96 HydrophobicContact CG2-CG 4.41Å; I55-I97 WeakPolarHBondContact CA-O 3.45Å; I55-V98 HydrophobicContact CG1-CG2 4.37Å
56K94.3Very high89Confident31 Ų3159.3 Ų59.314%0.13531%0.308CS..EExtended strand (participates in β ladder)trans-95.3117.5171.3177.5-172.2172.8-166.30107.9S40 V41 V58 E70 I97 M99S40-K56 CarbonylContact O-C 3.59Å; S40-K56 WeakPolarHBondContact O-CA 3.33Å; V41-K56 HydrophobicContact CG2-CB 4.15Å; V41-K56 HydrophobicContact CG2-CG 4.15Å; K56-V58 HydrophobicContact CD-CG2 4Å; K56-V58 HydrophobicContact CG-CG2 3.77Å; K56-E70 IonicContact NZ-OE2 2.68Å; K56-E70 PolarHBondContact NZ-OE2 2.94Å; K56-E70 VanDerWaalsContact NZ-OE2 3.14Å; K56-I97 HydrophobicContact CB-CB 4.34Å; K56-I97 HydrophobicContact CD-CD1 4.39Å; K56-I97 PolarHBondContact N-O 3.45Å; K56-I97 PolarHBondContact O-N 2.88Å; K56-M99 HydrophobicContact CB-CE 3.91Å
57Q93.1Very high88.4Confident34 Ų3459.3 Ų59.316%0.15931%0.309CS..EExtended strand (participates in β ladder)trans-91.6130.6172.3-70.1169.9-17.400108.5G39 S40 F42 W96G39-Q57 WeakPolarHBondContact CA-O 3.39Å; S40-Q57 PolarHBondContact N-O 2.89Å; S40-Q57 PolarHBondContact O-N 2.73Å; F42-Q57 HydrophobicContact CD2-CG 4.48Å; Q57-W96 HydrophobicContact CG-CD2 4.07Å; Q57-W96 HydrophobicContact CG-CG 4.13Å; Q57-W96 HydrophobicContact CG-CZ2 4.47Å; Q57-W96 VanDerWaalsContact NE2-CE2 3.34Å
58V90.7Very high87.9Confident1 Ų159.8 Ų59.81%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-133.7116.4-174.7-172.60000109.5Y38 K56 V60 I67 D94 L95 I97Y38-V58 WeakPolarHBondContact O-CG1 3.35Å; Y38-V58 WeakPolarHBondContact O-CG2 3.45Å; K56-V58 HydrophobicContact CD-CG2 4Å; K56-V58 HydrophobicContact CG-CG2 3.77Å; V58-V60 PolarHBondContact O-N 2.63Å; V58-I67 HydrophobicContact CG1-CD1 3.51Å; V58-I67 HydrophobicContact CG1-CG1 4.22Å; V58-D94 WeakPolarHBondContact O-CA 3.47Å; V58-L95 PolarHBondContact N-O 2.94Å; V58-L95 PolarHBondContact O-N 3.31Å; V58-I97 HydrophobicContact CG2-CD1 4.02Å
59P88.1Confident87.7Confident57 Ų5758.1 Ų58.137%0.3730%0.304SS..EExtended strand (participates in β ladder)trans-58.7130177.6-28.636.6000112.3E61 S62 D94P59-E61 PolarHBondContact O-N 3.13Å; P59-S62 WeakPolarHBondContact O-CB 3.37Å; P59-S62 PolarHBondContact O-N 3.14Å; P59-S62 PolarHBondContact O-OG 2.7Å; P59-D94 VanDerWaalsContact CA-OD1 3.31Å; P59-D94 WeakPolarHBondContact CA-OD1 3.1Å
60V79.6Confident87.4Confident28 Ų2861.5 Ų61.517%0.1732%0.318CS..THydrogen-bonded Turntrans-69.8-14-175167.40000112.7V58 S62 L64 F90 T93 L95V58-V60 PolarHBondContact O-N 2.63Å; V60-S62 PolarHBondContact O-N 3.26Å; V60-L64 HydrophobicContact CB-CD2 4.31Å; V60-L64 HydrophobicContact CG1-CD1 3.89Å; V60-L64 HydrophobicContact CG1-CD2 4Å; V60-L64 HydrophobicContact CG1-CG 4.4Å; V60-L64 HydrophobicContact CG2-CD2 4.38Å; V60-L64 WeakPolarHBondContact O-CG 3.09Å; V60-F90 HydrophobicContact CB-CE2 4.19Å; V60-F90 HydrophobicContact CG1-CE2 3.73Å; V60-F90 HydrophobicContact CG1-CZ 4.05Å; V60-F90 HydrophobicContact CG2-CD2 3.99Å; V60-F90 HydrophobicContact CG2-CE2 3.4Å; V60-F90 VanDerWaalsContact CG2-CE2 3.4Å; V60-F90 HydrophobicContact CG2-CZ 4.03Å; V60-T93 WeakPolarHBondContact CB-O 3.01Å; V60-T93 WeakPolarHBondContact CG2-O 3.4Å; V60-T93 PolarHBondContact N-O 2.78Å; V60-L95 HydrophobicContact CG2-CB 4.41Å
61E75.2Confident87.1Confident183 Ų18360.7 Ų60.786%0.85531%0.305SS*.THydrogen-bonded Turntrans-68.7-13.9169.7-52.8-165.5161.600113.2P59P59-E61 PolarHBondContact O-N 3.13Å
62S68.3Low86.9Confident44 Ų4460.9 Ų60.931%0.30831%0.311SS..SBendtrans-70.4171.3171.7-50.50000112.3P59 V60 L64P59-S62 WeakPolarHBondContact O-CB 3.37Å; P59-S62 PolarHBondContact O-N 3.14Å; P59-S62 PolarHBondContact O-OG 2.7Å; V60-S62 PolarHBondContact O-N 3.26Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 2.91Å
63D77.9Confident86.6Confident121 Ų12163.3 Ų63.365%0.64732%0.322SS*.  trans-64.384.4176.2-98.4-59.3000113.4Q65 E66 I67D63-Q65 PolarHBondContact O-N 3.04Å; D63-Q65 VanDerWaalsContact O-N 3.08Å; D63-E66 HydrophobicContact CB-CB 4.44Å; D63-E66 HydrophobicContact CB-CG 4.2Å; D63-E66 PolarHBondContact O-N 3.1Å; D63-I67 PolarHBondContact O-N 2.64Å
64L78.6Confident86.2Confident64 Ų6465.1 Ų65.134%0.33533%0.331SS..Hα-helixtrans-53.5-31.7-179.4-71170.4000113.5V60 S62 E66 I67 I68V60-L64 HydrophobicContact CB-CD2 4.31Å; V60-L64 HydrophobicContact CG1-CD1 3.89Å; V60-L64 HydrophobicContact CG1-CD2 4Å; V60-L64 HydrophobicContact CG1-CG 4.4Å; V60-L64 HydrophobicContact CG2-CD2 4.38Å; V60-L64 WeakPolarHBondContact O-CG 3.09Å; S62-L64 VanDerWaalsContact C-N 3.34Å; S62-L64 PolarHBondContact O-N 2.91Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 2.84Å; L64-I67 HydrophobicContact CD2-CD1 4.48Å; L64-I67 PolarHBondContact O-N 2.65Å; L64-I68 WeakPolarHBondContact O-CB 3.18Å; L64-I68 WeakPolarHBondContact O-CD1 3.07Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 2.88Å
65Q83.8Confident85.9Confident147 Ų14769.2 Ų69.269%0.68735%0.349SS*.Hα-helixtrans-67.2-33.4178-65.1-61.3-42.200112.4D63 K69D63-Q65 PolarHBondContact O-N 3.04Å; D63-Q65 VanDerWaalsContact O-N 3.08Å; Q65-K69 VanDerWaalsContact O-CB 3.22Å; Q65-K69 WeakPolarHBondContact O-CB 3.37Å; Q65-K69 PolarHBondContact O-N 2.97Å
66E84.8Confident85.7Confident116 Ų11676.2 Ų76.254%0.54238%0.381SS..Hα-helixtrans-73.6-41.2173.4-62.4-149.8135.900111.2D63 L64 K69 E70D63-E66 HydrophobicContact CB-CB 4.44Å; D63-E66 HydrophobicContact CB-CG 4.2Å; D63-E66 PolarHBondContact O-N 3.1Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 2.84Å; E66-K69 WeakPolarHBondContact O-CB 3.41Å; E66-K69 PolarHBondContact O-N 2.8Å; E66-E70 PolarHBondContact O-N 3.27Å
67I83.8Confident85.6Confident9 Ų977.1 Ų77.15%0.04639%0.391CS..Hα-helixtrans-64.8-46.5-179.6-59.7160.6000111.3V58 D63 L64 K69 E70 I71 L95 I97V58-I67 HydrophobicContact CG1-CD1 3.51Å; V58-I67 HydrophobicContact CG1-CG1 4.22Å; D63-I67 PolarHBondContact O-N 2.64Å; L64-I67 HydrophobicContact CD2-CD1 4.48Å; L64-I67 PolarHBondContact O-N 2.65Å; I67-K69 PolarHBondContact O-N 3.28Å; I67-E70 PolarHBondContact O-N 3.2Å; I67-I71 HydrophobicContact CG2-CD1 4Å; I67-I71 WeakPolarHBondContact O-CG1 3.16Å; I67-I71 PolarHBondContact O-N 3.24Å; I67-L95 HydrophobicContact CG2-CD2 3.46Å; I67-L95 VanDerWaalsContact CG2-CD2 3.46Å; I67-I97 HydrophobicContact CG2-CD1 4.15Å
68I85.2Confident85.6Confident96 Ų9681.9 Ų81.949%0.49242%0.418SS..Hα-helixtrans-61.2-36.3175.9-69.6165000110.9L64 S72L64-I68 WeakPolarHBondContact O-CB 3.18Å; L64-I68 WeakPolarHBondContact O-CD1 3.07Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 2.88Å; I68-S72 VanDerWaalsContact O-CB 3.28Å; I68-S72 WeakPolarHBondContact O-CB 3.45Å; I68-S72 PolarHBondContact O-N 3.39Å
69K87.3Confident85.8Confident137 Ų13783.4 Ų83.460%0.59643%0.428SS*.Hα-helixtrans-70.7-41.5177-177.9-177.6175.9-170.90112.2Q65 E66 I67 S72 I73Q65-K69 VanDerWaalsContact O-CB 3.22Å; Q65-K69 WeakPolarHBondContact O-CB 3.37Å; Q65-K69 PolarHBondContact O-N 2.97Å; E66-K69 WeakPolarHBondContact O-CB 3.41Å; E66-K69 PolarHBondContact O-N 2.8Å; I67-K69 PolarHBondContact O-N 3.28Å; K69-S72 PolarHBondContact O-N 3.47Å; K69-I73 HydrophobicContact CG-CD1 4.27Å; K69-I73 WeakPolarHBondContact O-CD1 3.47Å; K69-I73 VanDerWaalsContact O-CG1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.47Å; K69-I73 PolarHBondContact O-N 2.89Å; K69-I73 VanDerWaalsContact O-N 3.11Å
70E86.1Confident86.1Confident91 Ų9185.9 Ų85.943%0.42544%0.444SS..Hα-helixtrans-57.8-51.9171.9-175.8178.7-145.900110.3K56 E66 I67 S72 I73 M74K56-E70 IonicContact NZ-OE2 2.68Å; K56-E70 PolarHBondContact NZ-OE2 2.94Å; K56-E70 VanDerWaalsContact NZ-OE2 3.14Å; E66-E70 PolarHBondContact O-N 3.27Å; I67-E70 PolarHBondContact O-N 3.2Å; E70-S72 PolarHBondContact O-N 3.33Å; E70-I73 PolarHBondContact O-N 3.19Å; E70-M74 HydrophobicContact CG-SD 4.37Å; E70-M74 WeakPolarHBondContact O-CG 3.43Å; E70-M74 PolarHBondContact O-N 3.17Å
71I88.5Confident86.9Confident16 Ų1694.7 Ų94.78%0.08248%0.476CS..Hα-helixtrans-59.8-45178.9-68.8168.5000111.6I67 I73 M74 Q75 Y85 L95 I97I67-I71 HydrophobicContact CG2-CD1 4Å; I67-I71 WeakPolarHBondContact O-CG1 3.16Å; I67-I71 PolarHBondContact O-N 3.24Å; I71-I73 VanDerWaalsContact C-N 3.31Å; I71-I73 PolarHBondContact O-N 2.93Å; I71-M74 PolarHBondContact O-N 3.3Å; I71-Q75 VanDerWaalsContact O-CB 3.26Å; I71-Q75 WeakPolarHBondContact O-CB 3.42Å; I71-Q75 PolarHBondContact O-N 2.91Å; I71-Y85 HydrophobicContact CG2-CD2 4.48Å; I71-Y85 HydrophobicContact CG2-CE1 4.1Å; I71-Y85 HydrophobicContact CG2-CE2 3.8Å; I71-L95 HydrophobicContact CD1-CD2 3.5Å; I71-L95 VanDerWaalsContact CD1-CD2 3.5Å; I71-I97 HydrophobicContact CD1-CD1 3.81Å; I71-I97 HydrophobicContact CD1-CG1 3.93Å; I71-I97 HydrophobicContact CG1-CD1 4.02Å; I71-I97 HydrophobicContact CG1-CG1 4.4Å; I71-I97 HydrophobicContact CG1-CG2 4.45Å
72S90.1Very high87.9Confident48 Ų4889 Ų8934%0.33645%0.453SS..Hα-helixtrans-60.6-40.1179-178.40000112.3I68 K69 E70 Q76I68-S72 VanDerWaalsContact O-CB 3.28Å; I68-S72 WeakPolarHBondContact O-CB 3.45Å; I68-S72 PolarHBondContact O-N 3.39Å; K69-S72 PolarHBondContact O-N 3.47Å; E70-S72 PolarHBondContact O-N 3.33Å; S72-Q76 VanDerWaalsContact O-CG 3.31Å; S72-Q76 WeakPolarHBondContact O-CG 3.33Å; S72-Q76 PolarHBondContact O-N 2.9Å; S72-Q76 PolarHBondContact O-NE2 3.32Å; S72-Q76 PolarHBondContact OG-NE2 3.19Å
73I92Very high89.1Confident99 Ų9989.7 Ų89.751%0.50846%0.456SS..Hα-helixtrans-66.7-47.7175.4-67.3164.5000110.3K69 E70 I71 Q75 Q76 C77K69-I73 HydrophobicContact CG-CD1 4.27Å; K69-I73 WeakPolarHBondContact O-CD1 3.47Å; K69-I73 VanDerWaalsContact O-CG1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.47Å; K69-I73 PolarHBondContact O-N 2.89Å; K69-I73 VanDerWaalsContact O-N 3.11Å; E70-I73 PolarHBondContact O-N 3.19Å; I71-I73 VanDerWaalsContact C-N 3.31Å; I71-I73 PolarHBondContact O-N 2.93Å; I73-Q75 VanDerWaalsContact C-N 3.34Å; I73-Q75 PolarHBondContact O-N 2.93Å; I73-Q76 PolarHBondContact O-N 2.83Å; I73-C77 PolarHBondContact O-N 3.07Å; I73-C77 PolarHBondContact O-SG 3.22Å; I73-C77 VanDerWaalsContact O-SG 3.42Å
74M89.8Confident90Very high39 Ų3986.6 Ų86.619%0.19244%0.437CS..Hα-helixtrans-61.9-39.4177.6-69.1-174.671.900112.7E70 I71 Q76 C77E70-M74 HydrophobicContact CG-SD 4.37Å; E70-M74 WeakPolarHBondContact O-CG 3.43Å; E70-M74 PolarHBondContact O-N 3.17Å; I71-M74 PolarHBondContact O-N 3.3Å; M74-Q76 VanDerWaalsContact C-N 3.26Å; M74-Q76 PolarHBondContact O-N 3.3Å; M74-C77 PolarHBondContact O-N 3.36Å; M74-C77 VanDerWaalsContact O-N 3.16Å
75Q90.6Very high90.8Very high91 Ų9184.4 Ų84.443%0.42542%0.424SS..Hα-helixtrans-65.3-29.1179.9-169.8-175.434.700112.4K13 I71 I73 Y85K13-Q75 PolarHBondContact NZ-O 3.32Å; I71-Q75 VanDerWaalsContact O-CB 3.26Å; I71-Q75 WeakPolarHBondContact O-CB 3.42Å; I71-Q75 PolarHBondContact O-N 2.91Å; I73-Q75 VanDerWaalsContact C-N 3.34Å; I73-Q75 PolarHBondContact O-N 2.93Å; Q75-Y85 HydrophobicContact CB-CD1 3.74Å; Q75-Y85 HydrophobicContact CB-CE1 3.94Å; Q75-Y85 HydrophobicContact CG-CD1 3.9Å; Q75-Y85 HydrophobicContact CG-CE1 3.86Å
76Q92.8Very high91.3Very high148 Ų14878 Ų7869%0.69239%0.393SS*.Hα-helixtrans-80.1-17176.6-70.6170.164.700113.1S72 I73 M74S72-Q76 VanDerWaalsContact O-CG 3.31Å; S72-Q76 WeakPolarHBondContact O-CG 3.33Å; S72-Q76 PolarHBondContact O-N 2.9Å; S72-Q76 PolarHBondContact O-NE2 3.32Å; S72-Q76 PolarHBondContact OG-NE2 3.19Å; I73-Q76 PolarHBondContact O-N 2.83Å; M74-Q76 VanDerWaalsContact C-N 3.26Å; M74-Q76 PolarHBondContact O-N 3.3Å
77C92.2Very high91.8Very high50 Ų5072.6 Ų72.634%0.33837%0.369SS..  trans-84.3118177.3-66.30000112.2I73 M74 V82I73-C77 PolarHBondContact O-N 3.07Å; I73-C77 PolarHBondContact O-SG 3.22Å; I73-C77 VanDerWaalsContact O-SG 3.42Å; M74-C77 PolarHBondContact O-N 3.36Å; M74-C77 VanDerWaalsContact O-N 3.16Å; C77-V82 HydrophobicContact CB-CB 4.37Å; C77-V82 HydrophobicContact CB-CG1 3.87Å
78D92.7Very high92.3Very high134 Ų13473.9 Ų73.972%0.71738%0.379SS*.  trans-121.599.9159.9-168.414.5000110.5K84D78-K84 IonicContact OD1-NZ 2.75Å; D78-K84 PolarHBondContact OD1-NZ 2.89Å
79S94.9Very high92.7Very high33 Ų3369.9 Ų69.923%0.23136%0.358CS..  trans-151.7142.7-177.7173.10000109.4Y81 V82S79-Y81 PolarHBondContact O-N 2.95Å; S79-Y81 PolarHBondContact OG-N 2.87Å; S79-V82 PolarHBondContact O-N 2.86Å
80P94.5Very high92.8Very high109 Ų10969.7 Ų69.771%0.70836%0.357SS*.THydrogen-bonded Turntrans-71.4-0.7172.632.5-36.5000113.4
81Y96.1Very high92.8Very high214 Ų21466.7 Ų66.784%0.83934%0.343SS*.THydrogen-bonded Turntrans-110.58.3178.5-49.5-65.9000113.1S79S79-Y81 PolarHBondContact O-N 2.95Å; S79-Y81 PolarHBondContact OG-N 2.87Å
82V95.6Very high92.4Very high62 Ų6270.1 Ų70.138%0.37636%0.361SS..SBendtrans-131.1134.4176.8-178.40000108C77 S79 K84C77-V82 HydrophobicContact CB-CB 4.37Å; C77-V82 HydrophobicContact CB-CG1 3.87Å; S79-V82 PolarHBondContact O-N 2.86Å; V82-K84 PolarHBondContact O-N 2.81Å
83V94.9Very high92.1Very high59 Ų5972.2 Ų72.236%0.35837%0.372SS..PPolyproline II helixtrans-59.6120.2178.7179.30000109.3M99 E100V83-M99 HydrophobicContact CG1-CB 4.29Å; V83-E100 HydrophobicContact CG1-CB 4.1Å
84K95.3Very high92Very high57 Ų5769.3 Ų69.325%0.24836%0.358CS..PPolyproline II helixtrans-71.2132.8-176.6-68.8165.2178.3-78.70111.6D78 V82 Y86 M99 E100D78-K84 IonicContact OD1-NZ 2.75Å; D78-K84 PolarHBondContact OD1-NZ 2.89Å; V82-K84 PolarHBondContact O-N 2.81Å; K84-Y86 HydrophobicContact CB-CE1 4.2Å; K84-M99 CarbonylContact O-C 3.57Å; K84-M99 VanDerWaalsContact O-CA 3.24Å; K84-M99 WeakPolarHBondContact O-CA 3.43Å; K84-E100 HydrophobicContact CB-CB 4.13Å; K84-E100 WeakPolarHBondContact CD-OE2 3.28Å; K84-E100 WeakPolarHBondContact CG-OE2 3.36Å; K84-E100 PolarHBondContact N-OE2 3.2Å; K84-E100 PolarHBondContact O-N 2.83Å
85Y95.7Very high92.1Very high18 Ų1868.5 Ų68.57%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-87.3130.9164.5167.7-101000110.2I71 Q75 G87 S88 I97I71-Y85 HydrophobicContact CG2-CD2 4.48Å; I71-Y85 HydrophobicContact CG2-CE1 4.1Å; I71-Y85 HydrophobicContact CG2-CE2 3.8Å; Q75-Y85 HydrophobicContact CB-CD1 3.74Å; Q75-Y85 HydrophobicContact CB-CE1 3.94Å; Q75-Y85 HydrophobicContact CG-CD1 3.9Å; Q75-Y85 HydrophobicContact CG-CE1 3.86Å; Y85-G87 VanDerWaalsContact CE2-C 3.41Å; Y85-G87 WeakPolarHBondContact CE2-O 3.43Å; Y85-G87 VanDerWaalsContact CZ-C 3.44Å; Y85-G87 VanDerWaalsContact CZ-CA 3.42Å; Y85-G87 VanDerWaalsContact OH-C 3.25Å; Y85-G87 WeakPolarHBondContact OH-CA 3.38Å; Y85-S88 PolarHBondContact OH-N 3.34Å; Y85-S88 PolarHBondContact OH-OG 2.89Å; Y85-S88 VanDerWaalsContact OH-OG 3.13Å; Y85-I97 HydrophobicContact CD2-CG2 3.98Å; Y85-I97 HydrophobicContact CE2-CG2 4.02Å
86Y95.4Very high92.3Very high11 Ų1164.7 Ų64.74%0.04334%0.336CS..EExtended strand (participates in β ladder)trans-103.8-34.1-179.2-64-53.3000113.4L11 K12 K13 L14 Q51 V53 K84 V98 E100L11-Y86 HydrophobicContact CB-CE1 4.35Å; L11-Y86 HydrophobicContact CD2-CD2 4.07Å; L11-Y86 HydrophobicContact CD2-CE2 4.13Å; L11-Y86 HydrophobicContact CD2-CG 4.31Å; L11-Y86 HydrophobicContact CG-CD1 4.36Å; L11-Y86 HydrophobicContact CG-CE1 4.34Å; L11-Y86 WeakPolarHBondContact O-CE1 3.01Å; K12-Y86 WeakPolarHBondContact O-CD1 3.48Å; K13-Y86 CarbonylContact C-O 3.59Å; K13-Y86 WeakPolarHBondContact CA-O 3.41Å; L14-Y86 PolarHBondContact N-O 3.3Å; Q51-Y86 PolarHBondContact NE2-OH 3.42Å; Q51-Y86 VanDerWaalsContact NE2-OH 3.17Å; V53-Y86 HydrophobicContact CG1-CD2 4.14Å; V53-Y86 HydrophobicContact CG1-CE2 4.03Å; K84-Y86 HydrophobicContact CB-CE1 4.2Å; Y86-V98 HydrophobicContact CD2-CG1 4.34Å; Y86-V98 PolarHBondContact N-O 3.16Å; Y86-E100 HydrophobicContact CE2-CB 4.25Å
87G94.8Very high92.3Very high3 Ų357.9 Ų57.93%0.03130%0.304CS..EExtended strand (participates in β ladder)trans165179.4-179.100000111.9Y85 V98Y85-G87 VanDerWaalsContact CE2-C 3.41Å; Y85-G87 WeakPolarHBondContact CE2-O 3.43Å; Y85-G87 VanDerWaalsContact CZ-C 3.44Å; Y85-G87 VanDerWaalsContact CZ-CA 3.42Å; Y85-G87 VanDerWaalsContact OH-C 3.25Å; Y85-G87 WeakPolarHBondContact OH-CA 3.38Å; G87-V98 WeakPolarHBondContact O-CB 3.31Å; G87-V98 PolarHBondContact O-N 2.92Å
88S94.3Very high92.6Very high36 Ų3655.5 Ų55.525%0.25229%0.288SS..EExtended strand (participates in β ladder)trans-146.4147.8177.961.30000112.6Y85 W96Y85-S88 PolarHBondContact OH-N 3.34Å; Y85-S88 PolarHBondContact OH-OG 2.89Å; Y85-S88 VanDerWaalsContact OH-OG 3.13Å; S88-W96 CarbonylContact C-O 3.59Å; S88-W96 WeakPolarHBondContact CA-O 3.45Å; S88-W96 VanDerWaalsContact CB-O 3.3Å; S88-W96 WeakPolarHBondContact CB-O 3.46Å
89Y93.5Very high92.7Very high12 Ų1250.7 Ų50.75%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-120.4160.2177.5-60.8-102.2000110.4L14 S18 L19 K21 P23 F27 W96 V98L14-Y89 HydrophobicContact CD1-CE2 3.76Å; S18-Y89 WeakPolarHBondContact O-CE1 3.46Å; S18-Y89 PolarHBondContact O-OH 3.48Å; S18-Y89 PolarHBondContact OG-OH 3.46Å; L19-Y89 HydrophobicContact CD2-CE1 4.46Å; L19-Y89 HydrophobicContact CD2-CE2 4.06Å; K21-Y89 WeakPolarHBondContact O-CD1 3.47Å; K21-Y89 WeakPolarHBondContact O-CE1 3.32Å; P23-Y89 HydrophobicContact CB-CD1 4.22Å; P23-Y89 HydrophobicContact CB-CD2 4.26Å; P23-Y89 HydrophobicContact CB-CG 4Å; P23-Y89 HydrophobicContact CG-CG 4.45Å; F27-Y89 AromaticContact CE2-CE2 3.67Å; F27-Y89 HydrophobicContact CE2-CE2 3.67Å; F27-Y89 HydrophobicContact CZ-CE2 4.48Å; Y89-W96 PolarHBondContact N-O 3.42Å; Y89-W96 PolarHBondContact O-N 2.8Å; Y89-V98 HydrophobicContact CD2-CG2 4.13Å; Y89-V98 HydrophobicContact CE2-CG2 4.06Å
90F90.1Very high92.8Very high133 Ų13351.8 Ų51.858%0.58326%0.263SS*.EExtended strand (participates in β ladder)trans-121.4118.1173.4-174.1-78000108.4V60 D94 L95V60-F90 HydrophobicContact CB-CE2 4.19Å; V60-F90 HydrophobicContact CG1-CE2 3.73Å; V60-F90 HydrophobicContact CG1-CZ 4.05Å; V60-F90 HydrophobicContact CG2-CD2 3.99Å; V60-F90 HydrophobicContact CG2-CE2 3.4Å; V60-F90 VanDerWaalsContact CG2-CE2 3.4Å; V60-F90 HydrophobicContact CG2-CZ 4.03Å; F90-D94 WeakPolarHBondContact CA-O 3.39Å; F90-L95 HydrophobicContact CD2-CD1 4.49Å
91K85.1Confident92.9Very high28 Ų2850 Ų5012%0.12224%0.243CC..EExtended strand (participates in β ladder)trans-146.6141-178.2170.8172.7178.3-1050109.5P23 E24 T93 D94 W96 D327P23-K91 HydrophobicContact CG-CB 4.38Å; P23-K91 HydrophobicContact CG-CD 4.05Å; E24-K91 WeakPolarHBondContact OE1-CD 3.48Å; E24-K91 WeakPolarHBondContact OE1-CE 3.47Å; E24-K91 IonicContact OE1-NZ 2.68Å; E24-K91 PolarHBondContact OE1-NZ 2.85Å; E24-K91 WeakPolarHBondContact OE2-CD 3.35Å; K91-T93 PolarHBondContact O-N 2.97Å; K91-T93 VanDerWaalsContact O-N 3.07Å; K91-D94 PolarHBondContact N-O 3.42Å; K91-D94 WeakPolarHBondContact O-CA 3.24Å; K91-D94 WeakPolarHBondContact O-CB 3.48Å; K91-D94 PolarHBondContact O-N 3.07Å; K91-W96 HydrophobicContact CD-CZ2 4.28Å; K91-D327 IonicContact NZ-OD2 2.58Å; K91-D327 PolarHBondContact NZ-OD2 3.27Å
92N79.2Confident92.9Very high89 Ų8943.4 Ų43.448%0.47623%0.227SC..THydrogen-bonded Turntrans47.839.1171.3-59.66.3000114.8D94 D327N92-D94 PolarHBondContact O-N 3.26Å; N92-D327 PolarHBondContact ND2-OD2 3.4Å; N92-D327 VanDerWaalsContact ND2-OD2 3.14Å
93T85.1Confident92.8Very high92 Ų9241.6 Ų41.656%0.56422%0.221SC*.THydrogen-bonded Turntrans61.518.3-172.961.90000116.3V60 K91V60-T93 WeakPolarHBondContact CB-O 3.01Å; V60-T93 WeakPolarHBondContact CG2-O 3.4Å; V60-T93 PolarHBondContact N-O 2.78Å; K91-T93 PolarHBondContact O-N 2.97Å; K91-T93 VanDerWaalsContact O-N 3.07Å
94D89.1Confident92.7Very high37 Ų3740.1 Ų40.120%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-106.3147164.9-82-37.4000112.3V58 P59 F90 K91 N92V58-D94 WeakPolarHBondContact O-CA 3.47Å; P59-D94 VanDerWaalsContact CA-OD1 3.31Å; P59-D94 WeakPolarHBondContact CA-OD1 3.1Å; F90-D94 WeakPolarHBondContact CA-O 3.39Å; K91-D94 PolarHBondContact N-O 3.42Å; K91-D94 WeakPolarHBondContact O-CA 3.24Å; K91-D94 WeakPolarHBondContact O-CB 3.48Å; K91-D94 PolarHBondContact O-N 3.07Å; N92-D94 PolarHBondContact O-N 3.26Å
95L91.8Very high92.6Very high22 Ų2239.4 Ų39.412%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-95.7118.6160-167.875.6000109.7V58 V60 I67 I71 F90 I97V58-L95 PolarHBondContact N-O 2.94Å; V58-L95 PolarHBondContact O-N 3.31Å; V60-L95 HydrophobicContact CG2-CB 4.41Å; I67-L95 HydrophobicContact CG2-CD2 3.46Å; I67-L95 VanDerWaalsContact CG2-CD2 3.46Å; I71-L95 HydrophobicContact CD1-CD2 3.5Å; I71-L95 VanDerWaalsContact CD1-CD2 3.5Å; F90-L95 HydrophobicContact CD2-CD1 4.49Å; L95-I97 HydrophobicContact CD2-CD1 4.41Å; L95-I97 HydrophobicContact CD2-CG1 4.25Å; L95-I97 HydrophobicContact CG-CG1 4.39Å
96W94.4Very high92.5Very high12 Ų1241.2 Ų41.25%0.04524%0.239CC..EExtended strand (participates in β ladder)trans-96.4113.3179.2-71.741000109.4P23 E24 V29 I55 Q57 S88 Y89 K91P23-W96 HydrophobicContact CB-CD2 4.37Å; P23-W96 HydrophobicContact CB-CE3 3.67Å; P23-W96 HydrophobicContact CB-CZ3 3.83Å; P23-W96 HydrophobicContact CG-CD2 4.17Å; P23-W96 HydrophobicContact CG-CE3 3.88Å; P23-W96 HydrophobicContact CG-CH2 4.36Å; P23-W96 HydrophobicContact CG-CZ3 3.99Å; E24-W96 WeakPolarHBondContact OE1-CH2 3.49Å; V29-W96 HydrophobicContact CG2-CH2 4.33Å; V29-W96 HydrophobicContact CG2-CZ3 3.98Å; I55-W96 HydrophobicContact CD1-CE3 4.35Å; I55-W96 HydrophobicContact CG2-CB 4.12Å; I55-W96 HydrophobicContact CG2-CD2 4.23Å; I55-W96 HydrophobicContact CG2-CE3 3.76Å; I55-W96 HydrophobicContact CG2-CG 4.41Å; Q57-W96 HydrophobicContact CG-CD2 4.07Å; Q57-W96 HydrophobicContact CG-CG 4.13Å; Q57-W96 HydrophobicContact CG-CZ2 4.47Å; Q57-W96 VanDerWaalsContact NE2-CE2 3.34Å; S88-W96 CarbonylContact C-O 3.59Å; S88-W96 WeakPolarHBondContact CA-O 3.45Å; S88-W96 VanDerWaalsContact CB-O 3.3Å; S88-W96 WeakPolarHBondContact CB-O 3.46Å; Y89-W96 PolarHBondContact N-O 3.42Å; Y89-W96 PolarHBondContact O-N 2.8Å; K91-W96 HydrophobicContact CD-CZ2 4.28Å
97I94.4Very high92.3Very high5 Ų545.8 Ų45.83%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-104113.9-176.8-53.4174.7000109.2I55 K56 V58 I67 I71 Y85 L95I55-I97 WeakPolarHBondContact CA-O 3.45Å; K56-I97 HydrophobicContact CB-CB 4.34Å; K56-I97 HydrophobicContact CD-CD1 4.39Å; K56-I97 PolarHBondContact N-O 3.45Å; K56-I97 PolarHBondContact O-N 2.88Å; V58-I97 HydrophobicContact CG2-CD1 4.02Å; I67-I97 HydrophobicContact CG2-CD1 4.15Å; I71-I97 HydrophobicContact CD1-CD1 3.81Å; I71-I97 HydrophobicContact CD1-CG1 3.93Å; I71-I97 HydrophobicContact CG1-CD1 4.02Å; I71-I97 HydrophobicContact CG1-CG1 4.4Å; I71-I97 HydrophobicContact CG1-CG2 4.45Å; Y85-I97 HydrophobicContact CD2-CG2 3.98Å; Y85-I97 HydrophobicContact CE2-CG2 4.02Å; L95-I97 HydrophobicContact CD2-CD1 4.41Å; L95-I97 HydrophobicContact CD2-CG1 4.25Å; L95-I97 HydrophobicContact CG-CG1 4.39Å
98V96.9Very high92.1Very high0 Ų048.6 Ų48.60%029%0.287CS..EExtended strand (participates in β ladder)trans-94.6124.2-176.5-169.40000110.7L14 F27 V53 I55 Y86 G87 Y89L14-V98 HydrophobicContact CD1-CB 4.47Å; L14-V98 HydrophobicContact CD1-CG2 4.4Å; F27-V98 HydrophobicContact CE1-CG1 3.84Å; F27-V98 HydrophobicContact CE2-CG2 4.06Å; F27-V98 HydrophobicContact CZ-CB 4.47Å; F27-V98 HydrophobicContact CZ-CG1 3.73Å; F27-V98 HydrophobicContact CZ-CG2 4.03Å; V53-V98 HydrophobicContact CB-CG1 4.16Å; V53-V98 HydrophobicContact CG1-CG1 4.43Å; V53-V98 HydrophobicContact CG2-CG1 4.05Å; I55-V98 HydrophobicContact CG1-CG2 4.37Å; Y86-V98 HydrophobicContact CD2-CG1 4.34Å; Y86-V98 PolarHBondContact N-O 3.16Å; G87-V98 WeakPolarHBondContact O-CB 3.31Å; G87-V98 PolarHBondContact O-N 2.92Å; Y89-V98 HydrophobicContact CD2-CG2 4.13Å; Y89-V98 HydrophobicContact CE2-CG2 4.06Å
99M95.8Very high91.8Very high32 Ų3249 Ų4916%0.15829%0.286CS..EExtended strand (participates in β ladder)trans-144.2169-171.262.2-176.1170.600113.8V41 A54 K56 V83 K84V41-M99 HydrophobicContact CG1-CE 3.78Å; A54-M99 HydrophobicContact CB-CE 3.86Å; A54-M99 HydrophobicContact CB-CG 3.97Å; A54-M99 PolarHBondContact N-O 3.39Å; A54-M99 WeakPolarHBondContact O-CG 3.26Å; A54-M99 PolarHBondContact O-N 3.25Å; K56-M99 HydrophobicContact CB-CE 3.91Å; V83-M99 HydrophobicContact CG1-CB 4.29Å; K84-M99 CarbonylContact O-C 3.57Å; K84-M99 VanDerWaalsContact O-CA 3.24Å; K84-M99 WeakPolarHBondContact O-CA 3.43Å
100E96.5Very high91.6Very high56 Ų5649.3 Ų49.326%0.26229%0.289SS..EExtended strand (participates in β ladder)trans-64131.8179.5-176.9165.3-150.700113.1V83 K84 Y86 C102V83-E100 HydrophobicContact CG1-CB 4.1Å; K84-E100 HydrophobicContact CB-CB 4.13Å; K84-E100 WeakPolarHBondContact CD-OE2 3.28Å; K84-E100 WeakPolarHBondContact CG-OE2 3.36Å; K84-E100 PolarHBondContact N-OE2 3.2Å; K84-E100 PolarHBondContact O-N 2.83Å; Y86-E100 HydrophobicContact CE2-CB 4.25Å; E100-C102 PolarHBondContact O-N 3.12Å
101Y96.9Very high91.5Very high72 Ų7245.8 Ų45.828%0.28228%0.275SS..  trans-81.7101.2-177.5177.8-113.1000112.5L33 K43 V52 A54 G103L33-Y101 HydrophobicContact CD1-CD2 3.98Å; L33-Y101 HydrophobicContact CD1-CE2 3.64Å; L33-Y101 HydrophobicContact CD2-CE2 3.9Å; L33-Y101 HydrophobicContact CG-CE2 4.43Å; K43-Y101 HydrophobicContact CB-CE2 4.5Å; K43-Y101 HydrophobicContact CD-CE1 4.46Å; K43-Y101 HydrophobicContact CD-CE2 3.97Å; K43-Y101 HydrophobicContact CG-CE2 4.18Å; V52-Y101 HydrophobicContact CB-CD1 4.04Å; V52-Y101 HydrophobicContact CB-CG 4.38Å; V52-Y101 HydrophobicContact CG1-CD1 3.5Å; V52-Y101 VanDerWaalsContact CG1-CD1 3.5Å; V52-Y101 HydrophobicContact CG1-CD2 4.19Å; V52-Y101 HydrophobicContact CG1-CE1 3.92Å; V52-Y101 HydrophobicContact CG1-CG 3.64Å; A54-Y101 HydrophobicContact CB-CD2 4.44Å; Y101-G103 PolarHBondContact O-N 3.3Å
102C96.1Very high91.5Very high75 Ų7551.2 Ų51.251%0.50730%0.295SS..  trans-85.675.9171.4-61.50000111.3E100 A104 G105E100-C102 PolarHBondContact O-N 3.12Å; C102-A104 PolarHBondContact O-N 3.26Å; C102-G105 PolarHBondContact O-N 3.19Å
103G93.3Very high91.8Very high25 Ų2548.1 Ų48.126%0.25828%0.278SS..THydrogen-bonded Turntrans-59.2-16.9-169.500000117.9Y101 G105Y101-G103 PolarHBondContact O-N 3.3Å; G103-G105 PolarHBondContact O-N 3.38Å
104A93.3Very high91.7Very high27 Ų2746 Ų4622%0.22326%0.26CS..THydrogen-bonded Turntrans-76.7-6.3172.100000113.9C102 I110 I180C102-A104 PolarHBondContact O-N 3.26Å; A104-I110 HydrophobicContact CB-CD1 4.21Å; A104-I110 WeakPolarHBondContact O-CG1 3.26Å; A104-I180 HydrophobicContact CB-CB 4.45Å; A104-I180 HydrophobicContact CB-CD1 4.39Å; A104-I180 HydrophobicContact CB-CG1 4.03Å; A104-I180 HydrophobicContact CB-CG2 3.73Å
105G92.9Very high91.1Very high42 Ų4250.6 Ų50.643%0.43329%0.285SS..  trans72.1-164.9-171.100000112.9C102 G103C102-G105 PolarHBondContact O-N 3.19Å; G103-G105 PolarHBondContact O-N 3.38Å
106S93.3Very high89.8Confident56 Ų5654.6 Ų54.639%0.39230%0.301SS..  trans-80.7164.3172.376.80000111.7S108 D109 I110S106-S108 PolarHBondContact O-N 3.4Å; S106-S108 WeakPolarHBondContact OG-CB 3.35Å; S106-S108 PolarHBondContact OG-N 3.19Å; S106-D109 WeakPolarHBondContact CA-OD2 3.11Å; S106-D109 VanDerWaalsContact CB-OD2 3.23Å; S106-D109 WeakPolarHBondContact CB-OD2 3.2Å; S106-D109 PolarHBondContact N-OD2 3.34Å; S106-D109 WeakPolarHBondContact O-CB 3.11Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-D109 PolarHBondContact OG-N 3.02Å; S106-D109 PolarHBondContact OG-OD2 3.21Å; S106-I110 PolarHBondContact O-N 3Å; S106-I110 VanDerWaalsContact O-N 3.08Å
107V92.1Very high87.8Confident108 Ų10860.2 Ų60.266%0.65534%0.337SS*.Hα-helixtrans-58.1-31171.2179.50000111.5I111V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.44Å; V107-I111 WeakPolarHBondContact O-CB 3.35Å; V107-I111 WeakPolarHBondContact O-CD1 3.42Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 3.2Å
108S89.6Confident85.6Confident62 Ų6262.2 Ų62.243%0.43435%0.354SS..Hα-helixtrans-65.2-38.8174-170.50000111.9S106 I111 R112S106-S108 PolarHBondContact O-N 3.4Å; S106-S108 WeakPolarHBondContact OG-CB 3.35Å; S106-S108 PolarHBondContact OG-N 3.19Å; S108-I111 PolarHBondContact O-N 3.13Å; S108-R112 WeakPolarHBondContact O-CB 3.34Å; S108-R112 PolarHBondContact O-N 3.24Å
109D89.1Confident83.4Confident43 Ų4367.1 Ų67.123%0.2338%0.379CS..Hα-helixtrans-69.7-45.3178.5-53.4-51.9000111.4S106 I111 R112 L113S106-D109 WeakPolarHBondContact CA-OD2 3.11Å; S106-D109 VanDerWaalsContact CB-OD2 3.23Å; S106-D109 WeakPolarHBondContact CB-OD2 3.2Å; S106-D109 PolarHBondContact N-OD2 3.34Å; S106-D109 WeakPolarHBondContact O-CB 3.11Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-D109 PolarHBondContact OG-N 3.02Å; S106-D109 PolarHBondContact OG-OD2 3.21Å; D109-I111 VanDerWaalsContact C-N 3.29Å; D109-I111 PolarHBondContact O-N 2.8Å; D109-R112 PolarHBondContact O-N 3.09Å; D109-R112 IonicContact OD1-CZ 3.44Å; D109-R112 IonicContact OD1-NH1 2.65Å; D109-R112 PolarHBondContact OD1-NH1 2.86Å; D109-R112 IonicContact OD1-NH2 2.61Å; D109-R112 PolarHBondContact OD1-NH2 3.18Å; D109-L113 VanDerWaalsContact O-CB 3.3Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 WeakPolarHBondContact O-CD1 3.43Å; D109-L113 VanDerWaalsContact O-CG 3.24Å; D109-L113 WeakPolarHBondContact O-CG 3.34Å; D109-L113 PolarHBondContact O-N 3.2Å
110I89.6Confident81Confident20 Ų2073.7 Ų73.710%0.10341%0.407CS..Hα-helixtrans-59.1-41.3175.6-63.7172.4000111.1A104 S106 R114 L179 I180 A183A104-I110 HydrophobicContact CB-CD1 4.21Å; A104-I110 WeakPolarHBondContact O-CG1 3.26Å; S106-I110 PolarHBondContact O-N 3Å; S106-I110 VanDerWaalsContact O-N 3.08Å; I110-R114 WeakPolarHBondContact O-CB 3.37Å; I110-R114 WeakPolarHBondContact O-CG 3.48Å; I110-R114 PolarHBondContact O-N 2.84Å; I110-L179 HydrophobicContact CG2-CD1 3.65Å; I110-L179 HydrophobicContact CG2-CD2 4.27Å; I110-L179 HydrophobicContact CG2-CG 3.78Å; I110-I180 HydrophobicContact CD1-CG1 4.39Å; I110-A183 HydrophobicContact CB-CB 4.44Å; I110-A183 HydrophobicContact CG1-CB 4.17Å; I110-A183 HydrophobicContact CG2-CB 4.2Å
111I87.1Confident78.5Confident58 Ų5876.2 Ų76.230%0.29742%0.421SS..Hα-helixtrans-66.5-46.2176.6-73.5171.9000110.8V107 S108 D109 N115 K116 A118V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.44Å; V107-I111 WeakPolarHBondContact O-CB 3.35Å; V107-I111 WeakPolarHBondContact O-CD1 3.42Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 3.2Å; S108-I111 PolarHBondContact O-N 3.13Å; D109-I111 VanDerWaalsContact C-N 3.29Å; D109-I111 PolarHBondContact O-N 2.8Å; I111-N115 PolarHBondContact O-N 2.98Å; I111-K116 HydrophobicContact CG2-CB 4.16Å; I111-K116 WeakPolarHBondContact CG2-O 3.35Å; I111-K116 PolarHBondContact O-N 3.34Å; I111-A118 HydrophobicContact CG2-CB 4.17Å
112R86.3Confident76.1Confident142 Ų14280.8 Ų80.854%0.53645%0.448SS..Hα-helixtrans-67.8-47.6-178.1-174.3172.474.4-97.33.9113.1S108 D109 R114 N115S108-R112 WeakPolarHBondContact O-CB 3.34Å; S108-R112 PolarHBondContact O-N 3.24Å; D109-R112 PolarHBondContact O-N 3.09Å; D109-R112 IonicContact OD1-CZ 3.44Å; D109-R112 IonicContact OD1-NH1 2.65Å; D109-R112 PolarHBondContact OD1-NH1 2.86Å; D109-R112 IonicContact OD1-NH2 2.61Å; D109-R112 PolarHBondContact OD1-NH2 3.18Å; R112-R114 PolarHBondContact O-N 2.94Å; R112-N115 PolarHBondContact O-N 2.94Å; R112-N115 VanDerWaalsContact O-N 3.07Å; R112-N115 PolarHBondContact O-OD1 3.41Å
113L85.4Confident74Confident24 Ų2480.7 Ų80.713%0.12645%0.446CS..Hα-helixtrans-58.7-37.6178.8-73.1164.7000111.6D109 N115 I186 K187 R190D109-L113 VanDerWaalsContact O-CB 3.3Å; D109-L113 WeakPolarHBondContact O-CB 3.39Å; D109-L113 WeakPolarHBondContact O-CD1 3.43Å; D109-L113 VanDerWaalsContact O-CG 3.24Å; D109-L113 WeakPolarHBondContact O-CG 3.34Å; D109-L113 PolarHBondContact O-N 3.2Å; L113-N115 VanDerWaalsContact C-N 3.32Å; L113-N115 PolarHBondContact O-N 2.88Å; L113-I186 HydrophobicContact CB-CG2 4.2Å; L113-I186 HydrophobicContact CD2-CG2 4.11Å; L113-K187 HydrophobicContact CD1-CB 4.27Å; L113-R190 PolarHBondContact O-NH2 3.19Å
114R82.9Confident71.6Confident47 Ų4785.9 Ų85.918%0.17747%0.473CS..THydrogen-bonded Turntrans-8912.1179.1-63.3-176.457.3133.810.6114.2I110 R112 K116 E182 I186I110-R114 WeakPolarHBondContact O-CB 3.37Å; I110-R114 WeakPolarHBondContact O-CG 3.48Å; I110-R114 PolarHBondContact O-N 2.84Å; R112-R114 PolarHBondContact O-N 2.94Å; R114-K116 HydrophobicContact CB-CD 4.45Å; R114-K116 HydrophobicContact CB-CG 4.45Å; R114-K116 PolarHBondContact O-N 3.3Å; R114-E182 IonicContact CZ-OE1 3.65Å; R114-E182 IonicContact CZ-OE2 2.71Å; R114-E182 IonicContact NE-OE1 3.18Å; R114-E182 PolarHBondContact NE-OE1 3Å; R114-E182 VanDerWaalsContact NE-OE1 3.15Å; R114-E182 IonicContact NE-OE2 3.54Å; R114-E182 IonicContact NH1-OE1 3.94Å; R114-E182 PolarHBondContact NH1-OE1 3.24Å; R114-E182 IonicContact NH1-OE2 3.06Å; R114-E182 PolarHBondContact NH1-OE2 3.4Å; R114-E182 IonicContact NH2-OE1 1.82Å; R114-E182 PolarHBondContact NH2-OE1 3.4Å; R114-E182 IonicContact NH2-OE2 2.68Å; R114-E182 PolarHBondContact NH2-OE2 2.68Å; R114-I186 HydrophobicContact CG-CD1 4.16Å
115N76.7Confident70.3Confident135 Ų13589.9 Ų89.972%0.72249%0.491SS*.THydrogen-bonded Turntrans51.927-179.9-62.4-23.7000114.9I111 R112 L113I111-N115 PolarHBondContact O-N 2.98Å; R112-N115 PolarHBondContact O-N 2.94Å; R112-N115 VanDerWaalsContact O-N 3.07Å; R112-N115 PolarHBondContact O-OD1 3.41Å; L113-N115 VanDerWaalsContact C-N 3.32Å; L113-N115 PolarHBondContact O-N 2.88Å
116K64.4Low68.9Low105 Ų10592.8 Ų92.846%0.45750%0.502SS..  trans-82.4132.4176.4-70.3175.8-177.3172.30108.6I111 R114 A118I111-K116 HydrophobicContact CG2-CB 4.16Å; I111-K116 WeakPolarHBondContact CG2-O 3.35Å; I111-K116 PolarHBondContact O-N 3.34Å; R114-K116 HydrophobicContact CB-CD 4.45Å; R114-K116 HydrophobicContact CB-CG 4.45Å; R114-K116 PolarHBondContact O-N 3.3Å; K116-A118 PolarHBondContact O-N 3.42Å; K116-A118 VanDerWaalsContact O-N 3.16Å
117T51.4Low67.4Low130 Ų13093.2 Ų93.280%0.79850%0.504SS*.  trans-75.9109.3-168.6-34.30000111.9I119T117-I119 PolarHBondContact O-N 2.93Å
118A48Very low66.5Low48 Ų4890.4 Ų90.440%0.39749%0.488SS..  trans-70.5116.717000000110.4I111 K116 F120I111-A118 HydrophobicContact CG2-CB 4.17Å; K116-A118 PolarHBondContact O-N 3.42Å; K116-A118 VanDerWaalsContact O-N 3.16Å; A118-F120 HydrophobicContact CB-CD2 4.3Å; A118-F120 HydrophobicContact CB-CE2 3.83Å; A118-F120 HydrophobicContact CB-CZ 4.48Å; A118-F120 PolarHBondContact O-N 3.12Å
119I50.6Low65.9Low102 Ų10292 Ų9252%0.52350%0.495SS..  trans-86.596.3176.3-71171.9000109.1T117 M121T117-I119 PolarHBondContact O-N 2.93Å; I119-M121 HydrophobicContact CG2-CG 4.25Å; I119-M121 HydrophobicContact CG2-SD 4.46Å
120F45.2Very low65.6Low170 Ų17092 Ų9275%0.74649%0.493SS*.  trans-80.1127.6166.7-68.1-83.1000110.4A118A118-F120 HydrophobicContact CB-CD2 4.3Å; A118-F120 HydrophobicContact CB-CE2 3.83Å; A118-F120 HydrophobicContact CB-CZ 4.48Å; A118-F120 PolarHBondContact O-N 3.12Å
121M44.2Very low65.3Low110 Ų11098.6 Ų98.654%0.54252%0.517SS..  trans-149.6132.5166.6-69.5-173.462.900109.5I119 R131I119-M121 HydrophobicContact CG2-CG 4.25Å; I119-M121 HydrophobicContact CG2-SD 4.46Å; M121-R131 HydrophobicContact SD-CG 4.26Å; M121-R131 PolarHBondContact SD-NE 2.87Å; M121-R131 VanDerWaalsContact SD-NE 3.45Å
122I46Very low65.2Low168 Ų168101.7 Ų101.786%0.86253%0.528SS*.  trans-118.1135.6166-65179.4000106.1
123P52.1Low65.2Low72 Ų7298 Ų9847%0.46852%0.522SS..PPolyproline II helixtrans-89136.6-15632.4-35.9000115.2
124T42.8Very low65.4Low134 Ų134103 Ų10382%0.82255%0.545SS*.SBend-84.8146.7129.646.10000108.7
125N67.1Low65.8Low112 Ų112106.3 Ų106.360%0.59957%0.566SS**SBendtrans-65.2152.4-168.3-64-84.6000112.7K150N125-K150 PolarHBondContact OD1-NZ 3.14Å
126P63.8Low66.5Low103 Ų103105.7 Ų105.767%0.66955%0.553SS**SBendcis-75.8179.410.431.5-37.8000115.2
127P61.3Low68Low64 Ų64103.7 Ų103.742%0.41655%0.553SS.*PPolyproline II helixtrans-52.9139.6172.9-2735.9000112.1T129 K150P127-T129 PolarHBondContact O-N 3.22Å; P127-K150 HydrophobicContact CG-CD 4.16Å; P127-K150 HydrophobicContact CG-CG 4.24Å
128P73.2Confident70.2Confident50 Ų50104.4 Ų104.433%0.32555%0.551SS.*PPolyproline II helixtrans-68120.4-17426.2-31.9000110.7L148P128-L148 HydrophobicContact CG-CD1 4.14Å; P128-L148 WeakPolarHBondContact O-CD1 3.5Å
129T76.8Confident72.5Confident95 Ų95105 Ų10558%0.58355%0.548SS*.PPolyproline II helixtrans-99.3170.8167.7-171.10000110P127 R131P127-T129 PolarHBondContact O-N 3.22Å; T129-R131 PolarHBondContact O-N 3.2Å
130F82.4Confident74.7Confident42 Ų42102.4 Ų102.418%0.18453%0.533CS..PPolyproline II helixtrans-59.2137.5172.9-59.6-65.1000110.9K132 P133 W136 F140 V144F130-K132 PolarHBondContact O-N 3.36Å; F130-P133 WeakPolarHBondContact O-CD 3.41Å; F130-W136 AromaticContact CD1-CD1 3.94Å; F130-W136 HydrophobicContact CD1-CD2 4.26Å; F130-W136 AromaticContact CD1-CE2 3.81Å; F130-W136 HydrophobicContact CD1-CG 4.31Å; F130-W136 HydrophobicContact CD1-CZ2 4.29Å; F130-W136 AromaticContact CD1-NE1 3.64Å; F130-W136 HydrophobicContact CD2-CB 4.07Å; F130-W136 AromaticContact CD2-CD1 3.42Å; F130-W136 VanDerWaalsContact CD2-CD1 3.42Å; F130-W136 HydrophobicContact CD2-CD2 4.44Å; F130-W136 AromaticContact CD2-CG 3.7Å; F130-W136 HydrophobicContact CD2-CG 3.7Å; F130-W136 AromaticContact CD2-NE1 3.99Å; F130-W136 HydrophobicContact CE1-CD2 4.21Å; F130-W136 HydrophobicContact CE1-CG 4.42Å; F130-W136 HydrophobicContact CE2-CB 3.96Å; F130-W136 HydrophobicContact CE2-CD2 4.38Å; F130-W136 AromaticContact CE2-CG 3.82Å; F130-W136 HydrophobicContact CE2-CG 3.82Å; F130-W136 AromaticContact CG-CD1 3.37Å; F130-W136 HydrophobicContact CG-CD2 4.38Å; F130-W136 AromaticContact CG-CG 3.96Å; F130-W136 HydrophobicContact CG-CG 3.96Å; F130-W136 AromaticContact CG-NE1 3.44Å; F130-W136 HydrophobicContact CZ-CD2 4.27Å; F130-W136 HydrophobicContact CZ-CG 4.19Å; F130-F140 HydrophobicContact CE1-CD1 4.42Å; F130-F140 AromaticContact CE1-CE1 3.81Å; F130-F140 HydrophobicContact CE1-CE1 3.81Å; F130-F140 HydrophobicContact CE1-CZ 4.22Å; F130-F140 HydrophobicContact CE2-CD1 4.14Å; F130-F140 HydrophobicContact CE2-CE1 4.33Å; F130-F140 AromaticContact CZ-CD1 3.59Å; F130-F140 HydrophobicContact CZ-CD1 3.59Å; F130-F140 AromaticContact CZ-CE1 3.37Å; F130-F140 HydrophobicContact CZ-CE1 3.37Å; F130-F140 HydrophobicContact CZ-CE2 4.42Å; F130-F140 HydrophobicContact CZ-CG 4.23Å; F130-F140 AromaticContact CZ-CZ 3.83Å; F130-F140 HydrophobicContact CZ-CZ 3.83Å; F130-V144 HydrophobicContact CZ-CB 4.46Å; F130-V144 HydrophobicContact CZ-CG2 3.87Å
131R83.4Confident77.1Confident160 Ų16096.3 Ų96.360%0.60451%0.51SS*.SBendtrans-59.6-18.5175.9-63.6-174.1-177.1166-1.5113.8M121 T129M121-R131 HydrophobicContact SD-CG 4.26Å; M121-R131 PolarHBondContact SD-NE 2.87Å; M121-R131 VanDerWaalsContact SD-NE 3.45Å; T129-R131 PolarHBondContact O-N 3.2Å
132K84.3Confident79.6Confident122 Ų12293.6 Ų93.653%0.5350%0.497SS..SBendtrans-143.984.1178.2-77.1-167.1171.2-162.70108.7F130 E134 L135 W136F130-K132 PolarHBondContact O-N 3.36Å; K132-E134 WeakPolarHBondContact CA-OE2 3.29Å; K132-E134 VanDerWaalsContact CB-OE1 3.31Å; K132-E134 WeakPolarHBondContact CB-OE1 3.39Å; K132-E134 WeakPolarHBondContact CB-OE2 3.34Å; K132-E134 WeakPolarHBondContact CD-OE1 3.44Å; K132-E134 WeakPolarHBondContact CG-OE1 3.49Å; K132-E134 PolarHBondContact O-N 2.79Å; K132-L135 HydrophobicContact CB-CD1 3.79Å; K132-L135 HydrophobicContact CB-CG 4.03Å; K132-L135 HydrophobicContact CD-CD1 3.81Å; K132-L135 HydrophobicContact CD-CG 4.49Å; K132-L135 HydrophobicContact CG-CD1 4.45Å; K132-L135 PolarHBondContact O-N 3.3Å; K132-W136 PolarHBondContact O-NE1 3.32Å; K132-W136 VanDerWaalsContact O-NE1 3.13Å
133P87.7Confident82Confident64 Ų6487.2 Ų87.242%0.41646%0.464SS..G310 helixtrans-59.5-30.2-178-24.235.6000113.2F130 L135 W136F130-P133 WeakPolarHBondContact O-CD 3.41Å; P133-L135 PolarHBondContact O-N 3.35Å; P133-L135 VanDerWaalsContact O-N 3.08Å; P133-W136 PolarHBondContact O-N 3.08Å; P133-W136 VanDerWaalsContact O-N 3.11Å
134E90.1Very high84.1Confident130 Ų13085.5 Ų85.561%0.60745%0.451SS*.G310 helixtrans-64.7-10.5-177.775.6-74.6179.700115K132K132-E134 WeakPolarHBondContact CA-OE2 3.29Å; K132-E134 VanDerWaalsContact CB-OE1 3.31Å; K132-E134 WeakPolarHBondContact CB-OE1 3.39Å; K132-E134 WeakPolarHBondContact CB-OE2 3.34Å; K132-E134 WeakPolarHBondContact CD-OE1 3.44Å; K132-E134 WeakPolarHBondContact CG-OE1 3.49Å; K132-E134 PolarHBondContact O-N 2.79Å
135L89.5Confident86.5Confident117 Ų11786.3 Ų86.361%0.61344%0.444SS*.G310 helixtrans-91.9-1.2176.7-59.8-180000113.6K132 P133K132-L135 HydrophobicContact CB-CD1 3.79Å; K132-L135 HydrophobicContact CB-CG 4.03Å; K132-L135 HydrophobicContact CD-CD1 3.81Å; K132-L135 HydrophobicContact CD-CG 4.49Å; K132-L135 HydrophobicContact CG-CD1 4.45Å; K132-L135 PolarHBondContact O-N 3.3Å; P133-L135 PolarHBondContact O-N 3.35Å; P133-L135 VanDerWaalsContact O-N 3.08Å
136W93.1Very high87.9Confident122 Ų12284.6 Ų84.646%0.46243%0.431SS..SBendtrans-128.4150.2-171.4-4896.6000111.3F130 K132 P133 F140F130-W136 AromaticContact CD1-CD1 3.94Å; F130-W136 HydrophobicContact CD1-CD2 4.26Å; F130-W136 AromaticContact CD1-CE2 3.81Å; F130-W136 HydrophobicContact CD1-CG 4.31Å; F130-W136 HydrophobicContact CD1-CZ2 4.29Å; F130-W136 AromaticContact CD1-NE1 3.64Å; F130-W136 HydrophobicContact CD2-CB 4.07Å; F130-W136 AromaticContact CD2-CD1 3.42Å; F130-W136 VanDerWaalsContact CD2-CD1 3.42Å; F130-W136 HydrophobicContact CD2-CD2 4.44Å; F130-W136 AromaticContact CD2-CG 3.7Å; F130-W136 HydrophobicContact CD2-CG 3.7Å; F130-W136 AromaticContact CD2-NE1 3.99Å; F130-W136 HydrophobicContact CE1-CD2 4.21Å; F130-W136 HydrophobicContact CE1-CG 4.42Å; F130-W136 HydrophobicContact CE2-CB 3.96Å; F130-W136 HydrophobicContact CE2-CD2 4.38Å; F130-W136 AromaticContact CE2-CG 3.82Å; F130-W136 HydrophobicContact CE2-CG 3.82Å; F130-W136 AromaticContact CG-CD1 3.37Å; F130-W136 HydrophobicContact CG-CD2 4.38Å; F130-W136 AromaticContact CG-CG 3.96Å; F130-W136 HydrophobicContact CG-CG 3.96Å; F130-W136 AromaticContact CG-NE1 3.44Å; F130-W136 HydrophobicContact CZ-CD2 4.27Å; F130-W136 HydrophobicContact CZ-CG 4.19Å; K132-W136 PolarHBondContact O-NE1 3.32Å; K132-W136 VanDerWaalsContact O-NE1 3.13Å; P133-W136 PolarHBondContact O-N 3.08Å; P133-W136 VanDerWaalsContact O-N 3.11Å; W136-F140 HydrophobicContact CB-CD1 4.22Å; W136-F140 HydrophobicContact CD2-CD1 4.11Å; W136-F140 HydrophobicContact CD2-CE1 4.12Å; W136-F140 AromaticContact CE3-CD1 3.55Å; W136-F140 HydrophobicContact CE3-CD1 3.55Å; W136-F140 AromaticContact CE3-CE1 3.47Å; W136-F140 HydrophobicContact CE3-CE1 3.47Å; W136-F140 VanDerWaalsContact CE3-CE1 3.47Å; W136-F140 HydrophobicContact CG-CD1 4.4Å; W136-F140 HydrophobicContact CZ3-CD1 4.27Å; W136-F140 AromaticContact CZ3-CE1 3.76Å; W136-F140 HydrophobicContact CZ3-CE1 3.76Å
137S96Very high89.4Confident63 Ų6381.6 Ų81.644%0.44141%0.412SS..  trans-74.1157.4177.459.60000112.2D139 F140 T141S137-D139 VanDerWaalsContact C-N 3.27Å; S137-D139 PolarHBondContact O-N 2.93Å; S137-F140 PolarHBondContact O-N 3.28Å; S137-F140 VanDerWaalsContact O-N 3.16Å; S137-F140 PolarHBondContact OG-N 3.44Å; S137-T141 WeakPolarHBondContact O-CB 3.49Å; S137-T141 PolarHBondContact O-N 2.7Å; S137-T141 PolarHBondContact O-OG1 3Å
138D96.6Very high91Very high144 Ų14482.1 Ų82.177%0.7741%0.411SS*.Hα-helixtrans-55.7-44.1171.7-61.3-58000111.2F140 T141 D142D138-F140 VanDerWaalsContact C-N 3.34Å; D138-F140 PolarHBondContact O-N 2.99Å; D138-T141 PolarHBondContact O-N 2.65Å; D138-D142 VanDerWaalsContact O-CB 3.25Å; D138-D142 WeakPolarHBondContact O-CB 3.45Å; D138-D142 PolarHBondContact O-N 2.9Å
139D97.4Very high91.9Very high61 Ų6181.5 Ų81.533%0.32641%0.406SS..Hα-helixtrans-51.8-48174.2-96.39.3000112.2S137 F143 H164 P165 F166S137-D139 VanDerWaalsContact C-N 3.27Å; S137-D139 PolarHBondContact O-N 2.93Å; D139-F143 VanDerWaalsContact O-CB 3.31Å; D139-F143 WeakPolarHBondContact O-CB 3.42Å; D139-F143 PolarHBondContact O-N 2.83Å; D139-H164 VanDerWaalsContact CA-CE1 3.49Å; D139-H164 WeakPolarHBondContact CA-CE1 3.44Å; D139-H164 PolarHBondContact O-CE1 3.39Å; D139-P165 WeakPolarHBondContact OD1-CB 3.35Å; D139-P165 WeakPolarHBondContact OD2-CB 3.23Å; D139-F166 HydrophobicContact CB-CB 4.23Å
140F96.1Very high92.4Very high47 Ų4783.5 Ų83.521%0.20641%0.407CS..Hα-helixtrans-74.6-37.7-178.6-173.4-146.3000112.2F130 W136 S137 D138 F143 V144 F166F130-F140 HydrophobicContact CE1-CD1 4.42Å; F130-F140 AromaticContact CE1-CE1 3.81Å; F130-F140 HydrophobicContact CE1-CE1 3.81Å; F130-F140 HydrophobicContact CE1-CZ 4.22Å; F130-F140 HydrophobicContact CE2-CD1 4.14Å; F130-F140 HydrophobicContact CE2-CE1 4.33Å; F130-F140 AromaticContact CZ-CD1 3.59Å; F130-F140 HydrophobicContact CZ-CD1 3.59Å; F130-F140 AromaticContact CZ-CE1 3.37Å; F130-F140 HydrophobicContact CZ-CE1 3.37Å; F130-F140 HydrophobicContact CZ-CE2 4.42Å; F130-F140 HydrophobicContact CZ-CG 4.23Å; F130-F140 AromaticContact CZ-CZ 3.83Å; F130-F140 HydrophobicContact CZ-CZ 3.83Å; W136-F140 HydrophobicContact CB-CD1 4.22Å; W136-F140 HydrophobicContact CD2-CD1 4.11Å; W136-F140 HydrophobicContact CD2-CE1 4.12Å; W136-F140 AromaticContact CE3-CD1 3.55Å; W136-F140 HydrophobicContact CE3-CD1 3.55Å; W136-F140 AromaticContact CE3-CE1 3.47Å; W136-F140 HydrophobicContact CE3-CE1 3.47Å; W136-F140 VanDerWaalsContact CE3-CE1 3.47Å; W136-F140 HydrophobicContact CG-CD1 4.4Å; W136-F140 HydrophobicContact CZ3-CD1 4.27Å; W136-F140 AromaticContact CZ3-CE1 3.76Å; W136-F140 HydrophobicContact CZ3-CE1 3.76Å; S137-F140 PolarHBondContact O-N 3.28Å; S137-F140 VanDerWaalsContact O-N 3.16Å; S137-F140 PolarHBondContact OG-N 3.44Å; D138-F140 VanDerWaalsContact C-N 3.34Å; D138-F140 PolarHBondContact O-N 2.99Å; F140-F143 HydrophobicContact CD2-CD1 4.35Å; F140-F143 HydrophobicContact CE2-CD1 4.47Å; F140-F143 WeakPolarHBondContact O-CB 3.4Å; F140-F143 PolarHBondContact O-N 3.43Å; F140-V144 HydrophobicContact CD2-CG2 4.09Å; F140-V144 HydrophobicContact CE2-CG2 3.78Å; F140-V144 HydrophobicContact CZ-CG2 4.28Å; F140-V144 WeakPolarHBondContact O-CG2 3.38Å; F140-V144 PolarHBondContact O-N 3.24Å; F140-F166 HydrophobicContact CB-CD2 3.7Å; F140-F166 HydrophobicContact CB-CE2 3.59Å; F140-F166 HydrophobicContact CB-CG 4.39Å; F140-F166 HydrophobicContact CB-CZ 4.2Å; F140-F166 AromaticContact CD2-CD1 3.9Å; F140-F166 HydrophobicContact CD2-CD1 3.9Å; F140-F166 HydrophobicContact CD2-CD2 4.06Å; F140-F166 AromaticContact CD2-CE1 3.39Å; F140-F166 HydrophobicContact CD2-CE1 3.39Å; F140-F166 AromaticContact CD2-CE2 3.57Å; F140-F166 HydrophobicContact CD2-CE2 3.57Å; F140-F166 HydrophobicContact CD2-CG 4.21Å; F140-F166 AromaticContact CD2-CZ 3.21Å; F140-F166 HydrophobicContact CD2-CZ 3.21Å; F140-F166 AromaticContact CE2-CE1 3.71Å; F140-F166 HydrophobicContact CE2-CE1 3.71Å; F140-F166 HydrophobicContact CE2-CE2 4.39Å; F140-F166 AromaticContact CE2-CZ 3.63Å; F140-F166 HydrophobicContact CE2-CZ 3.63Å; F140-F166 HydrophobicContact CG-CD2 4.18Å; F140-F166 HydrophobicContact CG-CE1 4.33Å; F140-F166 AromaticContact CG-CE2 3.66Å; F140-F166 HydrophobicContact CG-CE2 3.66Å; F140-F166 AromaticContact CG-CZ 3.75Å; F140-F166 HydrophobicContact CG-CZ 3.75Å; F140-F166 HydrophobicContact CZ-CZ 4.44Å
141T94.7Very high92.9Very high43 Ų4384 Ų8426%0.26441%0.411SS..Hα-helixtrans-65.6-42.6178.1-56.90000111.4S137 D138 K145S137-T141 WeakPolarHBondContact O-CB 3.49Å; S137-T141 PolarHBondContact O-N 2.7Å; S137-T141 PolarHBondContact O-OG1 3Å; D138-T141 PolarHBondContact O-N 2.65Å; T141-K145 VanDerWaalsContact O-CB 3.28Å; T141-K145 WeakPolarHBondContact O-CB 3.46Å; T141-K145 PolarHBondContact O-N 3.47Å
142D96.7Very high93.4Very high52 Ų5280.8 Ų80.828%0.27841%0.411SS..Hα-helixtrans-70.7-33.7175179.153.2000112.6D138 K145 K146 H164D138-D142 VanDerWaalsContact O-CB 3.25Å; D138-D142 WeakPolarHBondContact O-CB 3.45Å; D138-D142 PolarHBondContact O-N 2.9Å; D142-K145 PolarHBondContact O-N 2.91Å; D142-K146 WeakPolarHBondContact O-CG 3.48Å; D142-K146 PolarHBondContact O-N 3.37Å; D142-K146 IonicContact OD1-NZ 3.32Å; D142-K146 PolarHBondContact OD1-NZ 3.24Å; D142-K146 IonicContact OD2-NZ 3.75Å; D142-K146 PolarHBondContact OD2-NZ 3.07Å; D142-H164 IonicContact OD1-NE2 2.56Å; D142-H164 IonicContact OD2-CD2 3.6Å; D142-H164 IonicContact OD2-CE1 3.77Å; D142-H164 IonicContact OD2-NE2 2.68Å; D142-H164 PolarHBondContact OD2-NE2 3.44Å
143F97.6Very high94Very high35 Ų3583.1 Ų83.115%0.15442%0.424CS..Hα-helixtrans-59.6-54.2170.4178-100.6000111.4D139 F140 K145 K146 C147 L161 H164 F166 I167D139-F143 VanDerWaalsContact O-CB 3.31Å; D139-F143 WeakPolarHBondContact O-CB 3.42Å; D139-F143 PolarHBondContact O-N 2.83Å; F140-F143 HydrophobicContact CD2-CD1 4.35Å; F140-F143 HydrophobicContact CE2-CD1 4.47Å; F140-F143 WeakPolarHBondContact O-CB 3.4Å; F140-F143 PolarHBondContact O-N 3.43Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.75Å; F143-K146 PolarHBondContact O-N 3.21Å; F143-K146 VanDerWaalsContact O-N 3.11Å; F143-C147 PolarHBondContact O-N 2.97Å; F143-C147 VanDerWaalsContact O-N 3.13Å; F143-C147 PolarHBondContact O-SG 3.46Å; F143-C147 VanDerWaalsContact O-SG 3.4Å; F143-L161 HydrophobicContact CD2-CD2 4.07Å; F143-L161 HydrophobicContact CE2-CB 4.08Å; F143-L161 HydrophobicContact CE2-CD2 3.81Å; F143-L161 HydrophobicContact CE2-CG 4.43Å; F143-H164 HydrophobicContact CD2-CB 4.03Å; F143-H164 AromaticContact CD2-CG 3.88Å; F143-H164 AromaticContact CD2-ND1 3.8Å; F143-H164 PolarHBondContact N-CE1 2.84Å; F143-H164 VanDerWaalsContact N-CE1 3.26Å; F143-F166 HydrophobicContact CB-CB 3.99Å; F143-F166 HydrophobicContact CB-CD1 4.07Å; F143-F166 HydrophobicContact CB-CG 4.22Å; F143-F166 AromaticContact CD1-CD1 3.79Å; F143-F166 HydrophobicContact CD1-CD1 3.79Å; F143-F166 HydrophobicContact CD1-CE1 4.18Å; F143-F166 HydrophobicContact CD2-CD1 4.22Å; F143-F166 HydrophobicContact CE1-CD1 4.3Å; F143-F166 HydrophobicContact CE1-CE1 4.5Å; F143-F166 HydrophobicContact CG-CB 4.32Å; F143-F166 AromaticContact CG-CD1 3.75Å; F143-F166 HydrophobicContact CG-CD1 3.75Å; F143-F166 HydrophobicContact CG-CG 4.36Å; F143-I167 HydrophobicContact CD2-CD1 4.46Å; F143-I167 HydrophobicContact CD2-CG1 3.9Å; F143-I167 HydrophobicContact CE1-CD1 4.37Å; F143-I167 HydrophobicContact CE2-CD1 3.82Å; F143-I167 HydrophobicContact CE2-CG1 3.34Å; F143-I167 HydrophobicContact CZ-CD1 3.78Å; F143-I167 HydrophobicContact CZ-CG1 3.84Å
144V95.6Very high94.3Very high35 Ų3586.9 Ų86.921%0.21244%0.436CS..Hα-helixtrans-60.8-39.8178.8171.40000111.3F130 F140 K146 C147 L148F130-V144 HydrophobicContact CZ-CB 4.46Å; F130-V144 HydrophobicContact CZ-CG2 3.87Å; F140-V144 HydrophobicContact CD2-CG2 4.09Å; F140-V144 HydrophobicContact CE2-CG2 3.78Å; F140-V144 HydrophobicContact CZ-CG2 4.28Å; F140-V144 WeakPolarHBondContact O-CG2 3.38Å; F140-V144 PolarHBondContact O-N 3.24Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 3.14Å; V144-C147 WeakPolarHBondContact O-CB 3.1Å; V144-C147 PolarHBondContact O-N 2.93Å; V144-C147 VanDerWaalsContact O-N 3.16Å; V144-L148 HydrophobicContact CG1-CD1 3.64Å; V144-L148 HydrophobicContact CG1-CG 4.17Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 2.88Å
145K94.2Very high94.7Very high152 Ų15286 Ų8666%0.66143%0.427SS*.Hα-helixtrans-58.5-39174.4-177.7-177.5177.7-176.10113.1T141 D142 F143T141-K145 VanDerWaalsContact O-CB 3.28Å; T141-K145 WeakPolarHBondContact O-CB 3.46Å; T141-K145 PolarHBondContact O-N 3.47Å; D142-K145 PolarHBondContact O-N 2.91Å; F143-K145 VanDerWaalsContact C-N 3.3Å; F143-K145 PolarHBondContact O-N 2.75Å
146K95.8Very high95.1Very high76 Ų7681.5 Ų81.533%0.3341%0.407SS..Hα-helixtrans-72.4-29.2175.9-75.4178.7174.469.40113.4D142 F143 V144 V149 A156 L161 H164D142-K146 WeakPolarHBondContact O-CG 3.48Å; D142-K146 PolarHBondContact O-N 3.37Å; D142-K146 IonicContact OD1-NZ 3.32Å; D142-K146 PolarHBondContact OD1-NZ 3.24Å; D142-K146 IonicContact OD2-NZ 3.75Å; D142-K146 PolarHBondContact OD2-NZ 3.07Å; F143-K146 PolarHBondContact O-N 3.21Å; F143-K146 VanDerWaalsContact O-N 3.11Å; V144-K146 VanDerWaalsContact C-N 3.33Å; V144-K146 PolarHBondContact O-N 3.14Å; K146-V149 WeakPolarHBondContact O-CG2 3.46Å; K146-A156 HydrophobicContact CB-CB 4.19Å; K146-L161 HydrophobicContact CB-CD2 4.11Å; K146-H164 PolarHBondContact NZ-NE2 2.56Å
147C95.7Very high95.3Very high40 Ų4079.2 Ų79.227%0.2741%0.406SS..Hα-helixtrans-72.3-41172.7-640000112.2F143 V144 V149 R155F143-C147 PolarHBondContact O-N 2.97Å; F143-C147 VanDerWaalsContact O-N 3.13Å; F143-C147 PolarHBondContact O-SG 3.46Å; F143-C147 VanDerWaalsContact O-SG 3.4Å; V144-C147 WeakPolarHBondContact O-CB 3.1Å; V144-C147 PolarHBondContact O-N 2.93Å; V144-C147 VanDerWaalsContact O-N 3.16Å; C147-V149 VanDerWaalsContact C-N 3.31Å; C147-V149 PolarHBondContact O-N 3.48Å; C147-R155 VanDerWaalsContact O-CD 3.28Å; C147-R155 WeakPolarHBondContact O-CD 3.31Å; C147-R155 WeakPolarHBondContact O-CG 3.49Å
148L94.1Very high95.4Very high75 Ų7579.7 Ų79.739%0.39341%0.414SS..THydrogen-bonded Turntrans-89.624.8-172.6-61.2-178.7000114.8P128 V144 K150P128-L148 HydrophobicContact CG-CD1 4.14Å; P128-L148 WeakPolarHBondContact O-CD1 3.5Å; V144-L148 HydrophobicContact CG1-CD1 3.64Å; V144-L148 HydrophobicContact CG1-CG 4.17Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 2.88Å; L148-K150 PolarHBondContact O-N 3.13Å
149V92.9Very high95.5Very high37 Ų3778.1 Ų78.122%0.22441%0.41CS..  trans-67.4125.2174.3-177.90000110K146 C147 Q154 R155K146-V149 WeakPolarHBondContact O-CG2 3.46Å; C147-V149 VanDerWaalsContact C-N 3.31Å; C147-V149 PolarHBondContact O-N 3.48Å; V149-Q154 HydrophobicContact CG1-CB 3.81Å; V149-R155 HydrophobicContact CB-CB 4.15Å; V149-R155 HydrophobicContact CB-CG 4.33Å; V149-R155 VanDerWaalsContact O-CZ 3.3Å; V149-R155 PolarHBondContact O-NE 2.89Å; V149-R155 PolarHBondContact O-NH2 3.42Å
150K87.5Confident95.5Very high137 Ų13780.8 Ų80.860%0.59642%0.421SS*.SBendtrans-66.7-45.6-174.7-67.2-170.867.9175.30113.2N125 P127 L148 P152 R155N125-K150 PolarHBondContact OD1-NZ 3.14Å; P127-K150 HydrophobicContact CG-CD 4.16Å; P127-K150 HydrophobicContact CG-CG 4.24Å; L148-K150 PolarHBondContact O-N 3.13Å; K150-P152 WeakPolarHBondContact O-CD 3.29Å; K150-R155 PolarHBondContact O-NH2 3.34Å
151N92.2Very high95.6Very high52 Ų5279.8 Ų79.828%0.27842%0.417SS..SBendtrans-70.8120.3172.6-179.6-6000109.2E153 Q154 R155N151-E153 VanDerWaalsContact C-N 3.29Å; N151-E153 PolarHBondContact ND2-OE2 3.37Å; N151-E153 PolarHBondContact O-N 3.24Å; N151-E153 WeakPolarHBondContact OD1-CB 3.44Å; N151-E153 WeakPolarHBondContact OD1-CG 3.46Å; N151-E153 PolarHBondContact OD1-N 3.11Å; N151-Q154 HydrophobicContact CB-CB 4.25Å; N151-Q154 HydrophobicContact CB-CG 4.27Å; N151-Q154 PolarHBondContact O-N 2.96Å; N151-R155 PolarHBondContact O-N 3.27Å
152P94.8Very high95.8Very high92 Ų9283 Ų8360%0.59743%0.432SS*.G310 helixtrans-62.2-31.9177.926.5-35.5000113.5K150 Q154 R155K150-P152 WeakPolarHBondContact O-CD 3.29Å; P152-Q154 PolarHBondContact O-N 2.96Å; P152-R155 WeakPolarHBondContact O-CB 3.44Å; P152-R155 PolarHBondContact O-N 2.85Å
153E95.6Very high95.9Very high172 Ų17286.1 Ų86.180%0.80445%0.445SS*.G310 helixtrans-67.1-24.5179.5-56.1173.1150.900112.8N151N151-E153 VanDerWaalsContact C-N 3.29Å; N151-E153 PolarHBondContact ND2-OE2 3.37Å; N151-E153 PolarHBondContact O-N 3.24Å; N151-E153 WeakPolarHBondContact OD1-CB 3.44Å; N151-E153 WeakPolarHBondContact OD1-CG 3.46Å; N151-E153 PolarHBondContact OD1-N 3.11Å
154Q95Very high95.9Very high142 Ų14285.1 Ų85.166%0.66444%0.441SS*.G310 helixtrans-100.5-1.6179.4-64.6175.6-10.500112.5V149 N151 P152V149-Q154 HydrophobicContact CG1-CB 3.81Å; N151-Q154 HydrophobicContact CB-CB 4.25Å; N151-Q154 HydrophobicContact CB-CG 4.27Å; N151-Q154 PolarHBondContact O-N 2.96Å; P152-Q154 PolarHBondContact O-N 2.96Å
155R97.3Very high96.1Very high111 Ų11186.2 Ų86.242%0.41945%0.449SS..SBendtrans-80.3134.9-179.5-167.8179.1-61.51547.4109.9C147 V149 K150 N151 P152 T157C147-R155 VanDerWaalsContact O-CD 3.28Å; C147-R155 WeakPolarHBondContact O-CD 3.31Å; C147-R155 WeakPolarHBondContact O-CG 3.49Å; V149-R155 HydrophobicContact CB-CB 4.15Å; V149-R155 HydrophobicContact CB-CG 4.33Å; V149-R155 VanDerWaalsContact O-CZ 3.3Å; V149-R155 PolarHBondContact O-NE 2.89Å; V149-R155 PolarHBondContact O-NH2 3.42Å; K150-R155 PolarHBondContact O-NH2 3.34Å; N151-R155 PolarHBondContact O-N 3.27Å; P152-R155 WeakPolarHBondContact O-CB 3.44Å; P152-R155 PolarHBondContact O-N 2.85Å; R155-T157 PolarHBondContact O-N 3.25Å
156A97.7Very high96.3Very high24 Ų2482.3 Ų82.320%0.19843%0.432CS..PPolyproline II helixtrans-64.8134.5179.600000111.1K146 L161K146-A156 HydrophobicContact CB-CB 4.19Å; A156-L161 HydrophobicContact CB-CD1 4.35Å; A156-L161 HydrophobicContact CB-CD2 3.75Å; A156-L161 HydrophobicContact CB-CG 3.79Å
157T98.3Very high96.4Very high73 Ų7381.3 Ų81.345%0.44843%0.43SS..PPolyproline II helixtrans-77.3160.4177.1660000111.4R155 T159 Q160 L161R155-T157 PolarHBondContact O-N 3.25Å; T157-T159 PolarHBondContact O-N 3.23Å; T157-Q160 WeakPolarHBondContact O-CB 3.15Å; T157-Q160 PolarHBondContact O-N 3.35Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.23Å; T157-Q160 PolarHBondContact OG1-OE1 2.74Å; T157-L161 WeakPolarHBondContact O-CG 3.22Å; T157-L161 PolarHBondContact O-N 3.04Å
158A98.1Very high96.5Very high74 Ų7485.8 Ų85.861%0.61244%0.444SS*.Hα-helixtrans-53-42176.700000112.5Q160 L161 L162A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 3.36Å; A158-L161 PolarHBondContact O-N 3.23Å; A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.31Å
159T98.3Very high96.6Very high111 Ų11187.5 Ų87.568%0.68145%0.454SS*.Hα-helixtrans-60.9-36177.1-45.80000113T157T157-T159 PolarHBondContact O-N 3.23Å
160Q98Very high96.8Very high117 Ų11788.9 Ų88.955%0.54747%0.469SS..Hα-helixtrans-76.6-41.5175.6-68.3164.3-23.200111.4T157 A158 L162 Q163T157-Q160 WeakPolarHBondContact O-CB 3.15Å; T157-Q160 PolarHBondContact O-N 3.35Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.23Å; T157-Q160 PolarHBondContact OG1-OE1 2.74Å; A158-Q160 VanDerWaalsContact C-N 3.3Å; A158-Q160 PolarHBondContact O-N 3.36Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.08Å; Q160-Q163 PolarHBondContact O-N 3.49Å
161L98.4Very high97.3Very high26 Ų2689.6 Ų89.614%0.13647%0.472CS..Hα-helixtrans-65.2-31.6179.3-72170.7000112.6F143 K146 A156 T157 A158 Q163 H164F143-L161 HydrophobicContact CD2-CD2 4.07Å; F143-L161 HydrophobicContact CE2-CB 4.08Å; F143-L161 HydrophobicContact CE2-CD2 3.81Å; F143-L161 HydrophobicContact CE2-CG 4.43Å; K146-L161 HydrophobicContact CB-CD2 4.11Å; A156-L161 HydrophobicContact CB-CD1 4.35Å; A156-L161 HydrophobicContact CB-CD2 3.75Å; A156-L161 HydrophobicContact CB-CG 3.79Å; T157-L161 WeakPolarHBondContact O-CG 3.22Å; T157-L161 PolarHBondContact O-N 3.04Å; A158-L161 PolarHBondContact O-N 3.23Å; L161-Q163 PolarHBondContact O-N 2.76Å; L161-H164 WeakPolarHBondContact O-CB 3.23Å; L161-H164 PolarHBondContact O-N 2.99Å
162L98.3Very high97.5Very high109 Ų10991.8 Ų91.857%0.57149%0.49SS*.THydrogen-bonded Turntrans-62.7-18.3170.6-75.4168.5000113.9A158 Q160 I167A158-L162 WeakPolarHBondContact O-CG 3.36Å; A158-L162 PolarHBondContact O-N 3.31Å; Q160-L162 VanDerWaalsContact C-N 3.31Å; Q160-L162 PolarHBondContact O-N 3.08Å; L162-I167 HydrophobicContact CD2-CG2 4.19Å
163Q98.3Very high97.6Very high118 Ų11893.3 Ų93.355%0.55150%0.497SS*.THydrogen-bonded Turntrans-97.1-2.9174.2-61.9-56.9-43.700113.5Q160 L161Q160-Q163 PolarHBondContact O-N 3.49Å; L161-Q163 PolarHBondContact O-N 2.76Å
164H98.6Very high97.6Very high14 Ų1487.7 Ų87.77%0.06548%0.477CS..SBendtrans-67.2139.3179.9-167.1-86.2000110.8D139 D142 F143 K146 L161 F166 I167 K168D139-H164 VanDerWaalsContact CA-CE1 3.49Å; D139-H164 WeakPolarHBondContact CA-CE1 3.44Å; D139-H164 PolarHBondContact O-CE1 3.39Å; D142-H164 IonicContact OD1-NE2 2.56Å; D142-H164 IonicContact OD2-CD2 3.6Å; D142-H164 IonicContact OD2-CE1 3.77Å; D142-H164 IonicContact OD2-NE2 2.68Å; D142-H164 PolarHBondContact OD2-NE2 3.44Å; F143-H164 HydrophobicContact CD2-CB 4.03Å; F143-H164 AromaticContact CD2-CG 3.88Å; F143-H164 AromaticContact CD2-ND1 3.8Å; F143-H164 PolarHBondContact N-CE1 2.84Å; F143-H164 VanDerWaalsContact N-CE1 3.26Å; K146-H164 PolarHBondContact NZ-NE2 2.56Å; L161-H164 WeakPolarHBondContact O-CB 3.23Å; L161-H164 PolarHBondContact O-N 2.99Å; H164-F166 PolarHBondContact ND1-N 2.76Å; H164-F166 PolarHBondContact O-N 3.28Å; H164-F166 VanDerWaalsContact O-N 3.13Å; H164-I167 PolarHBondContact O-N 3.45Å; H164-K168 WeakPolarHBondContact O-CB 3.29Å; H164-K168 PolarHBondContact O-N 3.32Å
165P98.5Very high97.6Very high58 Ų5885.5 Ų85.538%0.37747%0.469SS..Hα-helixtrans-46.6-44.2-178.6-32.937.2000114.4D139 I167 K168 N169D139-P165 WeakPolarHBondContact OD1-CB 3.35Å; D139-P165 WeakPolarHBondContact OD2-CB 3.23Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 3.03Å; P165-K168 PolarHBondContact O-N 3.21Å; P165-N169 WeakPolarHBondContact O-CB 3.24Å; P165-N169 PolarHBondContact O-N 3.4Å; P165-N169 PolarHBondContact O-ND2 3.04Å; P165-N169 VanDerWaalsContact O-ND2 3.15Å
166F98.4Very high97.4Very high70 Ų7083.7 Ų83.731%0.30747%0.467SS..Hα-helixtrans-57-39.4179-178.6-109.5000113.8D139 F140 F143 H164D139-F166 HydrophobicContact CB-CB 4.23Å; F140-F166 HydrophobicContact CB-CD2 3.7Å; F140-F166 HydrophobicContact CB-CE2 3.59Å; F140-F166 HydrophobicContact CB-CG 4.39Å; F140-F166 HydrophobicContact CB-CZ 4.2Å; F140-F166 AromaticContact CD2-CD1 3.9Å; F140-F166 HydrophobicContact CD2-CD1 3.9Å; F140-F166 HydrophobicContact CD2-CD2 4.06Å; F140-F166 AromaticContact CD2-CE1 3.39Å; F140-F166 HydrophobicContact CD2-CE1 3.39Å; F140-F166 AromaticContact CD2-CE2 3.57Å; F140-F166 HydrophobicContact CD2-CE2 3.57Å; F140-F166 HydrophobicContact CD2-CG 4.21Å; F140-F166 AromaticContact CD2-CZ 3.21Å; F140-F166 HydrophobicContact CD2-CZ 3.21Å; F140-F166 AromaticContact CE2-CE1 3.71Å; F140-F166 HydrophobicContact CE2-CE1 3.71Å; F140-F166 HydrophobicContact CE2-CE2 4.39Å; F140-F166 AromaticContact CE2-CZ 3.63Å; F140-F166 HydrophobicContact CE2-CZ 3.63Å; F140-F166 HydrophobicContact CG-CD2 4.18Å; F140-F166 HydrophobicContact CG-CE1 4.33Å; F140-F166 AromaticContact CG-CE2 3.66Å; F140-F166 HydrophobicContact CG-CE2 3.66Å; F140-F166 AromaticContact CG-CZ 3.75Å; F140-F166 HydrophobicContact CG-CZ 3.75Å; F140-F166 HydrophobicContact CZ-CZ 4.44Å; F143-F166 HydrophobicContact CB-CB 3.99Å; F143-F166 HydrophobicContact CB-CD1 4.07Å; F143-F166 HydrophobicContact CB-CG 4.22Å; F143-F166 AromaticContact CD1-CD1 3.79Å; F143-F166 HydrophobicContact CD1-CD1 3.79Å; F143-F166 HydrophobicContact CD1-CE1 4.18Å; F143-F166 HydrophobicContact CD2-CD1 4.22Å; F143-F166 HydrophobicContact CE1-CD1 4.3Å; F143-F166 HydrophobicContact CE1-CE1 4.5Å; F143-F166 HydrophobicContact CG-CB 4.32Å; F143-F166 AromaticContact CG-CD1 3.75Å; F143-F166 HydrophobicContact CG-CD1 3.75Å; F143-F166 HydrophobicContact CG-CG 4.36Å; H164-F166 PolarHBondContact ND1-N 2.76Å; H164-F166 PolarHBondContact O-N 3.28Å; H164-F166 VanDerWaalsContact O-N 3.13Å
167I98.3Very high97.2Very high56 Ų5690.6 Ų90.629%0.28749%0.488SS..Hα-helixtrans-87.5-37.2-179.8-58.6-59.6000111.3F143 L162 H164 P165 N169 A170F143-I167 HydrophobicContact CD2-CD1 4.46Å; F143-I167 HydrophobicContact CD2-CG1 3.9Å; F143-I167 HydrophobicContact CE1-CD1 4.37Å; F143-I167 HydrophobicContact CE2-CD1 3.82Å; F143-I167 HydrophobicContact CE2-CG1 3.34Å; F143-I167 HydrophobicContact CZ-CD1 3.78Å; F143-I167 HydrophobicContact CZ-CG1 3.84Å; L162-I167 HydrophobicContact CD2-CG2 4.19Å; H164-I167 PolarHBondContact O-N 3.45Å; P165-I167 VanDerWaalsContact C-N 3.3Å; P165-I167 PolarHBondContact O-N 3.03Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 2.91Å; I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 3.03Å; I167-A170 VanDerWaalsContact O-N 3.1Å
168K97.8Very high96.8Very high133 Ų13393 Ų9358%0.57850%0.498SS*.Hα-helixtrans-68-29179.6-169165.2-173.1156.60112.8H164 P165 A170H164-K168 WeakPolarHBondContact O-CB 3.29Å; H164-K168 PolarHBondContact O-N 3.32Å; P165-K168 PolarHBondContact O-N 3.21Å; K168-A170 VanDerWaalsContact C-N 3.35Å
169N97.1Very high96.4Very high112 Ų11292.2 Ų92.260%0.59948%0.483SS*.THydrogen-bonded Turntrans-91.99.5174-60.7-28.9000112.9P165 I167P165-N169 WeakPolarHBondContact O-CB 3.24Å; P165-N169 PolarHBondContact O-N 3.4Å; P165-N169 PolarHBondContact O-ND2 3.04Å; P165-N169 VanDerWaalsContact O-ND2 3.15Å; I167-N169 VanDerWaalsContact C-N 3.28Å; I167-N169 PolarHBondContact O-N 2.91Å
170A97.3Very high96.2Very high66 Ų6689.2 Ų89.255%0.54546%0.463SS..PPolyproline II helixtrans-63136.6179.800000111.7I167 K168I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 3.03Å; I167-A170 VanDerWaalsContact O-N 3.1Å; K168-A170 VanDerWaalsContact C-N 3.35Å
171K96.4Very high95.9Very high151 Ų15186.6 Ų86.666%0.65746%0.455SS*.PPolyproline II helixtrans-73.4153178.6-60.1178.6-176.7176.50110.5I175K171-I175 HydrophobicContact CB-CD1 4.01Å; K171-I175 HydrophobicContact CB-CG1 4.13Å; K171-I175 HydrophobicContact CB-CG2 3.67Å; K171-I175 HydrophobicContact CD-CD1 4.46Å; K171-I175 HydrophobicContact CD-CG2 3.92Å; K171-I175 HydrophobicContact CG-CG2 4.43Å
172P97.4Very high95.5Very high99 Ų9989 Ų8964%0.64347%0.465SS*.PPolyproline II helixtrans-56.3149.9175.7-24.634.3000112.7S174 I175P172-S174 PolarHBondContact O-N 3.26Å; P172-S174 PolarHBondContact O-OG 2.9Å; P172-I175 WeakPolarHBondContact O-CG1 3.47Å; P172-I175 PolarHBondContact O-N 3.44Å
173V95.8Very high95.1Very high124 Ų12484 Ų8475%0.75244%0.439SS*.G310 helixtrans-54.6-14.9-176-61.40000115.1I175 L176V173-I175 PolarHBondContact O-N 2.98Å; V173-L176 WeakPolarHBondContact O-CB 3.39Å; V173-L176 PolarHBondContact O-N 2.9Å
174S96.1Very high94.8Very high54 Ų5482.4 Ų82.438%0.37843%0.433SS..G310 helixtrans-56-25.8170.452.50000113.8P172 L176 R177P172-S174 PolarHBondContact O-N 3.26Å; P172-S174 PolarHBondContact O-OG 2.9Å; S174-L176 PolarHBondContact O-N 3.19Å; S174-R177 WeakPolarHBondContact O-CB 3.42Å; S174-R177 WeakPolarHBondContact O-CG 3.48Å; S174-R177 PolarHBondContact O-N 3.43Å
175I95.7Very high94.5Very high96 Ų9687.4 Ų87.449%0.49246%0.456SS..G310 helixtrans-67-12.7175.265.6146.4000113.9K171 P172 V173K171-I175 HydrophobicContact CB-CD1 4.01Å; K171-I175 HydrophobicContact CB-CG1 4.13Å; K171-I175 HydrophobicContact CB-CG2 3.67Å; K171-I175 HydrophobicContact CD-CD1 4.46Å; K171-I175 HydrophobicContact CD-CG2 3.92Å; K171-I175 HydrophobicContact CG-CG2 4.43Å; P172-I175 WeakPolarHBondContact O-CG1 3.47Å; P172-I175 PolarHBondContact O-N 3.44Å; V173-I175 PolarHBondContact O-N 2.98Å
176L93.6Very high94Very high73 Ų7386.7 Ų86.738%0.38245%0.449SS..G310 helixtrans-89.1-8.1177.4-54.1179.1000112.4V173 S174 L179 I180V173-L176 WeakPolarHBondContact O-CB 3.39Å; V173-L176 PolarHBondContact O-N 2.9Å; S174-L176 PolarHBondContact O-N 3.19Å; L176-L179 HydrophobicContact CD2-CD2 4.34Å; L176-L179 WeakPolarHBondContact O-CB 3.16Å; L176-L179 PolarHBondContact O-N 3.21Å; L176-I180 HydrophobicContact CB-CD1 3.86Å; L176-I180 HydrophobicContact CB-CG1 4.48Å; L176-I180 WeakPolarHBondContact O-CB 3.43Å; L176-I180 WeakPolarHBondContact O-CD1 3.35Å; L176-I180 WeakPolarHBondContact O-CG1 3.21Å; L176-I180 PolarHBondContact O-N 2.59Å
177R93.1Very high93.6Very high168 Ų16887.4 Ų87.463%0.63445%0.452SS*.Hα-helixtrans-57.8-60.2-175.2-74.6174.9176.2178-2.5111.5S174 L179 I180 T181S174-R177 WeakPolarHBondContact O-CB 3.42Å; S174-R177 WeakPolarHBondContact O-CG 3.48Å; S174-R177 PolarHBondContact O-N 3.43Å; R177-L179 PolarHBondContact O-N 3.31Å; R177-I180 CarbonylContact O-C 3.47Å; R177-I180 PolarHBondContact O-N 3.14Å; R177-T181 PolarHBondContact O-N 3.1Å; R177-T181 PolarHBondContact O-OG1 3.41Å; R177-T181 VanDerWaalsContact O-OG1 3.13Å
178D89.5Confident93.1Very high125 Ų12587 Ų8767%0.66846%0.457SS*.Hα-helixtrans-59.7-34.3-178.1-40-15.1000111.3E182D178-E182 WeakPolarHBondContact O-CB 3.31Å; D178-E182 PolarHBondContact O-N 3.26Å
179L90.4Very high92.8Very high56 Ų5686.4 Ų86.429%0.29345%0.454SS..Hα-helixtrans-65-42.7175.3176.861.5000112.6I110 L176 R177 A183I110-L179 HydrophobicContact CG2-CD1 3.65Å; I110-L179 HydrophobicContact CG2-CD2 4.27Å; I110-L179 HydrophobicContact CG2-CG 3.78Å; L176-L179 HydrophobicContact CD2-CD2 4.34Å; L176-L179 WeakPolarHBondContact O-CB 3.16Å; L176-L179 PolarHBondContact O-N 3.21Å; R177-L179 PolarHBondContact O-N 3.31Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.18Å
180I92.4Very high92.4Very high49 Ų4986.1 Ų86.125%0.25145%0.445SS..Hα-helixtrans-75.5-44.5-179.6-71.7165.8000110.8A104 I110 L176 R177 A183 M184A104-I180 HydrophobicContact CB-CB 4.45Å; A104-I180 HydrophobicContact CB-CD1 4.39Å; A104-I180 HydrophobicContact CB-CG1 4.03Å; A104-I180 HydrophobicContact CB-CG2 3.73Å; I110-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CB-CD1 3.86Å; L176-I180 HydrophobicContact CB-CG1 4.48Å; L176-I180 WeakPolarHBondContact O-CB 3.43Å; L176-I180 WeakPolarHBondContact O-CD1 3.35Å; L176-I180 WeakPolarHBondContact O-CG1 3.21Å; L176-I180 PolarHBondContact O-N 2.59Å; R177-I180 CarbonylContact O-C 3.47Å; R177-I180 PolarHBondContact O-N 3.14Å; I180-A183 PolarHBondContact O-N 3.21Å; I180-M184 HydrophobicContact CG2-CE 3.81Å; I180-M184 HydrophobicContact CG2-CG 4.28Å; I180-M184 HydrophobicContact CG2-SD 3.88Å; I180-M184 WeakPolarHBondContact O-CG 3.34Å; I180-M184 PolarHBondContact O-N 2.99Å
181T92.3Very high91.8Very high62 Ų6286.3 Ų86.338%0.3843%0.434SS..Hα-helixtrans-55.3-55.1177.2-61.80000110.9R177 A183 M184 E185R177-T181 PolarHBondContact O-N 3.1Å; R177-T181 PolarHBondContact O-OG1 3.41Å; R177-T181 VanDerWaalsContact O-OG1 3.13Å; T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 2.82Å; T181-M184 PolarHBondContact O-N 3.48Å; T181-M184 VanDerWaalsContact O-N 3.09Å; T181-E185 HydrophobicContact CG2-CG 4.34Å; T181-E185 VanDerWaalsContact CG2-OE1 3.26Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.36Å; T181-E185 WeakPolarHBondContact O-CG 3.37Å; T181-E185 PolarHBondContact O-N 3.28Å
182E90.2Very high91.4Very high77 Ų7783.7 Ų83.736%0.3643%0.425SS..Hα-helixtrans-60.5-34.7179.2-169.6-17313100112.1R114 D178 I186R114-E182 IonicContact CZ-OE1 3.65Å; R114-E182 IonicContact CZ-OE2 2.71Å; R114-E182 IonicContact NE-OE1 3.18Å; R114-E182 PolarHBondContact NE-OE1 3Å; R114-E182 VanDerWaalsContact NE-OE1 3.15Å; R114-E182 IonicContact NE-OE2 3.54Å; R114-E182 IonicContact NH1-OE1 3.94Å; R114-E182 PolarHBondContact NH1-OE1 3.24Å; R114-E182 IonicContact NH1-OE2 3.06Å; R114-E182 PolarHBondContact NH1-OE2 3.4Å; R114-E182 IonicContact NH2-OE1 1.82Å; R114-E182 PolarHBondContact NH2-OE1 3.4Å; R114-E182 IonicContact NH2-OE2 2.68Å; R114-E182 PolarHBondContact NH2-OE2 2.68Å; D178-E182 WeakPolarHBondContact O-CB 3.31Å; D178-E182 PolarHBondContact O-N 3.26Å; E182-I186 HydrophobicContact CG-CD1 4.12Å; E182-I186 WeakPolarHBondContact O-CB 3.31Å; E182-I186 WeakPolarHBondContact O-CD1 3.44Å; E182-I186 WeakPolarHBondContact O-CG1 3.45Å; E182-I186 PolarHBondContact O-N 3.25Å
183A89.3Confident90.9Very high2 Ų282.7 Ų82.72%0.01741%0.411CS..Hα-helixtrans-71-37.7176.300000112.8I110 L179 I180 T181 K187I110-A183 HydrophobicContact CB-CB 4.44Å; I110-A183 HydrophobicContact CG1-CB 4.17Å; I110-A183 HydrophobicContact CG2-CB 4.2Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.18Å; I180-A183 PolarHBondContact O-N 3.21Å; T181-A183 VanDerWaalsContact C-N 3.26Å; T181-A183 PolarHBondContact O-N 2.82Å; A183-K187 PolarHBondContact O-N 2.94Å
184M91.9Very high90.3Very high85 Ų8582.5 Ų82.542%0.41940%0.402SS..Hα-helixtrans-71.5-39.5175.4-67.6-176.3-46.600111.7I180 T181 K187 A188I180-M184 HydrophobicContact CG2-CE 3.81Å; I180-M184 HydrophobicContact CG2-CG 4.28Å; I180-M184 HydrophobicContact CG2-SD 3.88Å; I180-M184 WeakPolarHBondContact O-CG 3.34Å; I180-M184 PolarHBondContact O-N 2.99Å; T181-M184 PolarHBondContact O-N 3.48Å; T181-M184 VanDerWaalsContact O-N 3.09Å; M184-K187 PolarHBondContact O-N 2.91Å; M184-A188 WeakPolarHBondContact O-CB 3.23Å; M184-A188 PolarHBondContact O-N 3.22Å
185E92.4Very high89.6Confident119 Ų11984.2 Ų84.256%0.55640%0.404SS*.Hα-helixtrans-60.6-46.2173.7-72.8168.817200111.3T181 K187 A188 K189T181-E185 HydrophobicContact CG2-CG 4.34Å; T181-E185 VanDerWaalsContact CG2-OE1 3.26Å; T181-E185 WeakPolarHBondContact CG2-OE1 3.36Å; T181-E185 WeakPolarHBondContact O-CG 3.37Å; T181-E185 PolarHBondContact O-N 3.28Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.36Å; E185-A188 PolarHBondContact O-N 2.81Å; E185-K189 WeakPolarHBondContact O-CB 3.35Å; E185-K189 PolarHBondContact O-N 2.93Å
186I89.8Confident89.1Confident44 Ų4485.8 Ų85.823%0.22640%0.404CS..Hα-helixtrans-63.4-36.5174.5-67.1164.6000111.3L113 R114 E182 R190L113-I186 HydrophobicContact CB-CG2 4.2Å; L113-I186 HydrophobicContact CD2-CG2 4.11Å; R114-I186 HydrophobicContact CG-CD1 4.16Å; E182-I186 HydrophobicContact CG-CD1 4.12Å; E182-I186 WeakPolarHBondContact O-CB 3.31Å; E182-I186 WeakPolarHBondContact O-CD1 3.44Å; E182-I186 WeakPolarHBondContact O-CG1 3.45Å; E182-I186 PolarHBondContact O-N 3.25Å; I186-R190 VanDerWaalsContact O-CG 3.31Å; I186-R190 WeakPolarHBondContact O-CG 3.34Å; I186-R190 PolarHBondContact O-N 3.19Å
187K88.4Confident88.5Confident84 Ų8488.2 Ų88.237%0.36541%0.413SS..Hα-helixtrans-69.3-44.6177.1-169.5177.8-176.4179.90111.9L33 L113 A183 M184 E185 H191L33-K187 PolarHBondContact O-NZ 3.06Å; L113-K187 HydrophobicContact CD1-CB 4.27Å; A183-K187 PolarHBondContact O-N 2.94Å; M184-K187 PolarHBondContact O-N 2.91Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.36Å; K187-H191 PolarHBondContact O-N 3.02Å
188A89.1Confident87.7Confident49 Ų4983.8 Ų83.841%0.40540%0.402SS..Hα-helixtrans-62.6-49.6178.200000111.2M184 E185 R190 H191 E192M184-A188 WeakPolarHBondContact O-CB 3.23Å; M184-A188 PolarHBondContact O-N 3.22Å; E185-A188 PolarHBondContact O-N 2.81Å; A188-R190 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 3.31Å; A188-H191 WeakPolarHBondContact O-CA 3.36Å; A188-H191 WeakPolarHBondContact O-CB 3.38Å; A188-H191 PolarHBondContact O-N 3.13Å; A188-E192 PolarHBondContact O-N 3.06Å
189K90.3Very high87.1Confident120 Ų12082.9 Ų82.952%0.52239%0.394SS..Hα-helixtrans-57.3-42.6179.3-173.9170.7-175.1-710112.7E185 H191 E192 E193E185-K189 WeakPolarHBondContact O-CB 3.35Å; E185-K189 PolarHBondContact O-N 2.93Å; K189-H191 VanDerWaalsContact C-N 3.31Å; K189-H191 PolarHBondContact O-N 3.43Å; K189-E192 PolarHBondContact O-N 2.95Å; K189-E193 IonicContact NZ-OE1 3.3Å; K189-E193 PolarHBondContact NZ-OE1 3.44Å; K189-E193 IonicContact NZ-OE2 2.65Å; K189-E193 WeakPolarHBondContact O-CB 3.47Å; K189-E193 VanDerWaalsContact O-CG 3.24Å; K189-E193 WeakPolarHBondContact O-CG 3.47Å; K189-E193 PolarHBondContact O-N 3.1Å
190R88.1Confident86.3Confident106 Ų10685.7 Ų85.740%0.441%0.405SS..Hα-helixtrans-65.9-31.6175.7-71.4-179.5-164.5-159.37.2113.3L113 I186 A188 Q194L113-R190 PolarHBondContact O-NH2 3.19Å; I186-R190 VanDerWaalsContact O-CG 3.31Å; I186-R190 WeakPolarHBondContact O-CG 3.34Å; I186-R190 PolarHBondContact O-N 3.19Å; A188-R190 VanDerWaalsContact C-N 3.32Å; A188-R190 PolarHBondContact O-N 3.31Å; R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 VanDerWaalsContact O-CG 3.23Å; R190-Q194 WeakPolarHBondContact O-CG 3.24Å; R190-Q194 PolarHBondContact O-N 3.11Å
191H85.4Confident85.1Confident69 Ų6988 Ų8832%0.31942%0.415SS..Hα-helixtrans-71.9-41.7175.5-168.3-72.6000111E31 K187 A188 K189 Q194 Q195E31-H191 WeakPolarHBondContact CB-NE2 3.41Å; K187-H191 PolarHBondContact O-N 3.02Å; A188-H191 WeakPolarHBondContact O-CA 3.36Å; A188-H191 WeakPolarHBondContact O-CB 3.38Å; A188-H191 PolarHBondContact O-N 3.13Å; K189-H191 VanDerWaalsContact C-N 3.31Å; K189-H191 PolarHBondContact O-N 3.43Å; H191-Q194 PolarHBondContact O-N 2.93Å; H191-Q195 PolarHBondContact CE1-OE1 3.32Å; H191-Q195 PolarHBondContact ND1-OE1 2.68Å; H191-Q195 WeakPolarHBondContact O-CB 3.19Å; H191-Q195 WeakPolarHBondContact O-CG 3.1Å; H191-Q195 PolarHBondContact O-N 3.2Å
192E87.5Confident83.7Confident97 Ų9788.2 Ų88.245%0.45341%0.411SS..Hα-helixtrans-63.5-39.1172.8-68.4174.7-140.400112.4A188 K189 R196A188-E192 PolarHBondContact O-N 3.06Å; K189-E192 PolarHBondContact O-N 2.95Å; E192-R196 WeakPolarHBondContact O-CG 3.32Å; E192-R196 PolarHBondContact O-N 3.22Å; E192-R196 VanDerWaalsContact O-N 3.12Å; E192-R196 IonicContact OE2-NH2 2.64Å; E192-R196 PolarHBondContact OE2-NH2 2.75Å
193E87.7Confident82.2Confident78 Ų7891.6 Ų91.636%0.36443%0.427SS..Hα-helixtrans-63-49.9174.1-73.9167.8149.200110.7K189 Q195 R196 E197K189-E193 IonicContact NZ-OE1 3.3Å; K189-E193 PolarHBondContact NZ-OE1 3.44Å; K189-E193 IonicContact NZ-OE2 2.65Å; K189-E193 WeakPolarHBondContact O-CB 3.47Å; K189-E193 VanDerWaalsContact O-CG 3.24Å; K189-E193 WeakPolarHBondContact O-CG 3.47Å; K189-E193 PolarHBondContact O-N 3.1Å; E193-Q195 VanDerWaalsContact C-N 3.32Å; E193-Q195 PolarHBondContact O-N 3.36Å; E193-R196 PolarHBondContact O-N 3.34Å; E193-E197 WeakPolarHBondContact O-CG 3.42Å; E193-E197 PolarHBondContact O-N 2.68Å
194Q83.3Confident80.6Confident120 Ų12097.1 Ų97.156%0.56146%0.456SS*.Hα-helixtrans-65-30.9178.5-74.5179.1-36.100113.8R190 H191 L198R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 VanDerWaalsContact O-CG 3.23Å; R190-Q194 WeakPolarHBondContact O-CG 3.24Å; R190-Q194 PolarHBondContact O-N 3.11Å; H191-Q194 PolarHBondContact O-N 2.93Å; Q194-L198 WeakPolarHBondContact O-CD1 3.35Å; Q194-L198 VanDerWaalsContact O-CG 3.31Å; Q194-L198 WeakPolarHBondContact O-CG 3.23Å; Q194-L198 PolarHBondContact O-N 3.15Å
195Q81.6Confident78.8Confident89 Ų8995.1 Ų95.142%0.41645%0.451SS..Hα-helixtrans-70.4-42.5173.6-75.2-175.1-87.900111.6H191 E193 L198 E199H191-Q195 PolarHBondContact CE1-OE1 3.32Å; H191-Q195 PolarHBondContact ND1-OE1 2.68Å; H191-Q195 WeakPolarHBondContact O-CB 3.19Å; H191-Q195 WeakPolarHBondContact O-CG 3.1Å; H191-Q195 PolarHBondContact O-N 3.2Å; E193-Q195 VanDerWaalsContact C-N 3.32Å; E193-Q195 PolarHBondContact O-N 3.36Å; Q195-L198 PolarHBondContact O-N 3.34Å; Q195-E199 VanDerWaalsContact O-CG 3.29Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.92Å
196R84.9Confident76.7Confident130 Ų13094.1 Ų94.149%0.49145%0.45SS..Hα-helixtrans-68.2-36.2176.2-68.9-178.8-142.8163.910.3112.9E192 E193 L198 E199 E200E192-R196 WeakPolarHBondContact O-CG 3.32Å; E192-R196 PolarHBondContact O-N 3.22Å; E192-R196 VanDerWaalsContact O-N 3.12Å; E192-R196 IonicContact OE2-NH2 2.64Å; E192-R196 PolarHBondContact OE2-NH2 2.75Å; E193-R196 PolarHBondContact O-N 3.34Å; R196-L198 PolarHBondContact O-N 2.69Å; R196-E199 PolarHBondContact O-N 3.42Å; R196-E200 VanDerWaalsContact O-CB 3.24Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 VanDerWaalsContact O-CG 3.29Å; R196-E200 WeakPolarHBondContact O-CG 3.39Å; R196-E200 PolarHBondContact O-N 3.5Å
197E80.6Confident74.7Confident123 Ų123100 Ų10058%0.57548%0.476SS*.Hα-helixtrans-58.9-35.2172.7-73.6170.3171.200111.4E193 E201E193-E197 WeakPolarHBondContact O-CG 3.42Å; E193-E197 PolarHBondContact O-N 2.68Å; E197-E201 WeakPolarHBondContact O-CB 3.39Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 3.42Å; E197-E201 VanDerWaalsContact O-N 3.14Å
198L77.4Confident72.7Confident75 Ų75103.3 Ų103.339%0.39350%0.498SS..Hα-helixtrans-78-40.6174.8-68.1166.6000113.2Q194 Q195 R196 E201 E202 N317Q194-L198 WeakPolarHBondContact O-CD1 3.35Å; Q194-L198 VanDerWaalsContact O-CG 3.31Å; Q194-L198 WeakPolarHBondContact O-CG 3.23Å; Q194-L198 PolarHBondContact O-N 3.15Å; Q195-L198 PolarHBondContact O-N 3.34Å; R196-L198 PolarHBondContact O-N 2.69Å; L198-E201 PolarHBondContact O-N 3.15Å; L198-E202 PolarHBondContact O-N 3.3Å; L198-E202 VanDerWaalsContact O-N 3.08Å; L198-N317 HydrophobicContact CD2-CB 4.12Å
199E77.1Confident70.9Confident107 Ų107108 Ų10850%0.551%0.511SS..Hα-helixtrans-64.9-41.6176.5-70.5161.4-17400111.1Q195 R196 E202 E203Q195-E199 VanDerWaalsContact O-CG 3.29Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.92Å; R196-E199 PolarHBondContact O-N 3.42Å; E199-E202 PolarHBondContact O-N 3.15Å; E199-E203 PolarHBondContact O-N 3.06Å
200E72.9Confident68.6Low115 Ų115109.5 Ų109.554%0.53752%0.524SS..Hα-helixtrans-68.4-35.5173.9-70175.5-152.900111.7R196 E202 N204R196-E200 VanDerWaalsContact O-CB 3.24Å; R196-E200 WeakPolarHBondContact O-CB 3.42Å; R196-E200 VanDerWaalsContact O-CG 3.29Å; R196-E200 WeakPolarHBondContact O-CG 3.39Å; R196-E200 PolarHBondContact O-N 3.5Å; E200-E202 VanDerWaalsContact C-N 3.29Å; E200-E202 PolarHBondContact O-N 3.26Å; E200-N204 WeakPolarHBondContact O-CB 3.36Å; E200-N204 PolarHBondContact O-N 3.08Å; E200-N204 VanDerWaalsContact O-N 3.12Å; E200-N204 PolarHBondContact O-ND2 3.21Å
201E66.4Low66.4Low97 Ų97111.9 Ų111.945%0.45355%0.545SS..Hα-helixtrans-65.6-28.4172-86.9-172.7-179.100113E197 L198 P315E197-E201 WeakPolarHBondContact O-CB 3.39Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 3.42Å; E197-E201 VanDerWaalsContact O-N 3.14Å; L198-E201 PolarHBondContact O-N 3.15Å; E201-P315 HydrophobicContact CB-CB 4.18Å; E201-P315 WeakPolarHBondContact OE2-CB 3.45Å
202E63.9Low64.6Low66 Ų66113 Ų11331%0.30856%0.561SS.*Hα-helixtrans-83.5-46.2176.1-70.8-177.6166.100111.9L198 E199 E200 N204 S205 N317L198-E202 PolarHBondContact O-N 3.3Å; L198-E202 VanDerWaalsContact O-N 3.08Å; E199-E202 PolarHBondContact O-N 3.15Å; E200-E202 VanDerWaalsContact C-N 3.29Å; E200-E202 PolarHBondContact O-N 3.26Å; E202-N204 PolarHBondContact O-N 2.8Å; E202-S205 WeakPolarHBondContact O-CB 3.2Å; E202-S205 PolarHBondContact O-N 2.9Å; E202-S205 PolarHBondContact O-OG 2.89Å; E202-N317 PolarHBondContact OE1-ND2 2.95Å
203E58.5Low62.4Low148 Ų148116.2 Ų116.269%0.69258%0.575SS**Hα-helixtrans-60.6-39.7176.3-74.7-168.3161.300112.9E199 S205 D206E199-E203 PolarHBondContact O-N 3.06Å; E203-S205 PolarHBondContact O-N 3.49Å; E203-D206 PolarHBondContact O-N 3.36Å
204N54.4Low59.9Low118 Ų118118.3 Ų118.363%0.63159%0.594SS**Hα-helixtrans-68.9-10.8176.3-77.5-88.4000113.3E200 E202E200-N204 WeakPolarHBondContact O-CB 3.36Å; E200-N204 PolarHBondContact O-N 3.08Å; E200-N204 VanDerWaalsContact O-N 3.12Å; E200-N204 PolarHBondContact O-ND2 3.21Å; E202-N204 PolarHBondContact O-N 2.8Å
205S54Low57.7Low44 Ų44121.7 Ų121.731%0.30861%0.612SS.*Hα-helixtrans-84.7-17.1175.9780000113.8E202 E203E202-S205 WeakPolarHBondContact O-CB 3.2Å; E202-S205 PolarHBondContact O-N 2.9Å; E202-S205 PolarHBondContact O-OG 2.89Å; E203-S205 PolarHBondContact O-N 3.49Å
206D48.9Very low55.3Low98 Ų98123.3 Ų123.352%0.52463%0.628SS.*Hα-helixtrans-94.3-30.3-177.1-77.1-21.3000113.9E203 D208 M339E203-D206 PolarHBondContact O-N 3.36Å; D206-D208 VanDerWaalsContact C-N 3.3Å; D206-D208 PolarHBondContact O-N 3.34Å; D206-M339 WeakPolarHBondContact OD1-CE 3.2Å
207E47.6Very low53.1Low168 Ų168126 Ų12679%0.78564%0.643SS**G310 helixtrans-70.7-23.1-180-68-149.5145.700113.5E209E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.86Å
208D48Very low50.6Low153 Ų153126.2 Ų126.282%0.81865%0.652SS**G310 helixtrans-74.1-12.9-173.7-114.67.8000114.4D206D206-D208 VanDerWaalsContact C-N 3.3Å; D206-D208 PolarHBondContact O-N 3.34Å
209E49.3Very low48.6Very low146 Ų146127.7 Ų127.768%0.68267%0.669SS**G310 helixtrans-85.9-4.5177.5-75.7-153.8156.200114.8E207 K342E207-E209 VanDerWaalsContact C-N 3.34Å; E207-E209 PolarHBondContact O-N 2.86Å; E209-K342 IonicContact OE1-NZ 2.85Å; E209-K342 PolarHBondContact OE1-NZ 3.28Å; E209-K342 IonicContact OE2-NZ 3.94Å; E209-K342 PolarHBondContact OE2-NZ 2.98Å
210L43.7Very low46.5Very low153 Ų153129.6 Ų129.680%0.80169%0.688SS**SBendtrans-108-19.3-162.7-99.7165.8000119.7
211D40.7Very low44.5Very low155 Ų155133.1 Ų133.183%0.82970%0.704SS**  trans-107.283.5176.2-167.513.4000113.6
212S48.2Very low42.9Very low93 Ų93133.7 Ų133.765%0.6572%0.719SS**  trans-127.17.6179.459.20000115.2
213H40.6Very low41.3Very low164 Ų164136.8 Ų136.876%0.75974%0.742SS**  trans-142.791.2-174.7-79.3-18.7000115.5
214T36.1Very low39.9Very low123 Ų123132.7 Ų132.776%0.75574%0.739SS**  175.2112110.3-73.60000112.1V216T214-V216 HydrophobicContact CG2-CG2 3.96Å
215M36Very low38.7Very low190 Ų190133.8 Ų133.894%0.93675%0.751SS**  trans-90.4105.7169-85.4-117.1-76.300111.8
216V32Very low37.8Very low124 Ų124140.3 Ų140.375%0.75278%0.778SS**  trans-94.1124163.8177.40000109.5T214T214-V216 HydrophobicContact CG2-CG2 3.96Å
217K39.5Very low36.9Very low187 Ų187147.8 Ų147.881%0.81380%0.799SS**  trans-109.4114.1-171.1-175.4178.2-176.2174.40111.6
218T28.2Very low36.2Very low126 Ų126144.1 Ų144.177%0.77380%0.798SS**  trans-132.7117.3170.852.90000111.4
219S34.3Very low35.2Very low107 Ų107143.9 Ų143.975%0.74880%0.802SS**  trans-82.8138.9177.2-50.40000112
220V32.3Very low34.3Very low146 Ų146142.4 Ų142.489%0.88581%0.808SS**  trans-151.5166.5153.2-103.50000109.1
221E32.8Very low33.7Very low189 Ų189141.9 Ų141.988%0.88381%0.811SS**  trans-109.2165.5-153-54.3170.7119.100115.4
222S30.9Very low33.3Very low109 Ų109143.7 Ų143.776%0.76282%0.817SS**  trans94.9141.9138-147.10000120.4
223V31.7Very low32.5Very low132 Ų132145 Ų14580%0.883%0.826SS**  trans56.7124.5168.8-157.10000117.1
224G29.2Very low32Very low61 Ų61146.7 Ų146.763%0.62984%0.835SS**  cis120108.9-1.100000113.5
225T29.5Very low31.7Very low142 Ų142144.6 Ų144.687%0.87184%0.837SS**  trans-158.1121.7160.5-77.20000109.5
226M33.5Very low31.5Very low181 Ų181139.6 Ų139.689%0.89283%0.826SS**  trans-100.3145.8166-64.7-164.3-60.400110.3
227R30.1Very low31.4Very low254 Ų254142.2 Ų142.296%0.95883%0.83SS**  trans-137.1111.2148.8-90.4-164.9171.1-140.8-1.7110.3
228A32.7Very low31Very low91 Ų91139.2 Ų139.275%0.75283%0.827SS**  trans-120.5143.5160.900000108.1
229T28.8Very low31.2Very low148 Ų148140.3 Ų140.391%0.90883%0.826SS**  trans-156.9120.6154.836.10000108.8
230S30Very low31.2Very low116 Ų116141.5 Ų141.581%0.81182%0.822SS**  trans-88155.5174.3-35.80000111.1
231T30.2Very low30.9Very low141 Ų141143.3 Ų143.387%0.86582%0.821SS**  trans-146.7129.6152.2450000110.8
232M33Very low30.8Very low194 Ų194142 Ų14296%0.95682%0.815SS**  trans-117.4137.1165.4-76.2-81.4-15200107.9
233S31.6Very low30.8Very low121 Ų121144.1 Ų144.185%0.84682%0.817SS**  trans-165.4149.3161.457.10000111.8
234E30.6Very low30.7Very low199 Ų199142.1 Ų142.193%0.9381%0.809SS**  trans-89.1170.6-174.3-58149.2112.900113.1
235G29.1Very low30.9Very low78 Ų78146.3 Ų146.380%0.80482%0.823SS**  trans-173.524.1-175.200000122.1
236A30.9Very low30.9Very low85 Ų85148.2 Ų148.270%0.70282%0.824SS**  trans39.4129.115500000123.9
237Q30.5Very low30.8Very low180 Ų180146.8 Ų146.884%0.84182%0.819SS**  trans72.6143147.2-62.9170.721.700117.5
238T31.7Very low30.8Very low123 Ų123143.1 Ų143.176%0.75581%0.813SS**  cis-158.5-175.93.35.30000108.8
239M32.5Very low30.9Very low150 Ų150144.5 Ų144.574%0.73982%0.817SS**  cis-158.5172.89.8-132-155.4-54.100112.1
240I33.3Very low31Very low132 Ų132144.8 Ų144.868%0.67781%0.813SS**  trans11133.9142.5-63.6-177000118.2
241E27Very low31.1Very low183 Ų183147.2 Ų147.286%0.85582%0.816SS**  -144.7157.354.1-161.7162-134.500116.7
242H31Very low31Very low163 Ų163144.1 Ų144.176%0.75581%0.812SS**  trans-123.7142.7178.7-78.9-99.3000111.8
243N29.4Very low30.9Very low153 Ų153141.3 Ų141.382%0.81881%0.806SS**  159.8158128.9-87.3-41.3000112.3
244S30.5Very low31Very low90 Ų90143.5 Ų143.563%0.62981%0.805SS**  cis-179.2134.1-34.6-101.10000109.3
245T32.4Very low30.9Very low149 Ų149139.4 Ų139.491%0.91479%0.793SS**  trans-159.2110.814610.70000110
246M30.6Very low31Very low182 Ų182142.3 Ų142.390%0.89779%0.789SS**  trans-99.1-173.4164.6-90.4-171.6162.200109.9
247L31.2Very low30.9Very low150 Ų150145.4 Ų145.479%0.78579%0.794SS**  trans109.6138.7165-59.8175.1000113.3
248E30.1Very low30.9Very low177 Ų177141 Ų14183%0.82778%0.783SS**  cis-167.3161-36.1-128.2174.3-17700105.6
249S35.5Very low30.7Very low121 Ų121143 Ų14385%0.84678%0.784SS**  trans-109.5124.6177.8-58.30000109.9
250D30.9Very low30.7Very low154 Ų154142.4 Ų142.482%0.82478%0.783SS**  trans-149.6168.5163.2-139.5-16000115.2
251L30.7Very low30.7Very low166 Ų166144.8 Ų144.887%0.86979%0.792SS**  trans-75.3156.1-160.3-65.1152.9000115.2
252G28.1Very low31.2Very low76 Ų76144 Ų14478%0.78479%0.788SS**  trans-169.779.6172.200000114.5
253T32Very low31.5Very low135 Ų135145 Ų14583%0.82879%0.793SS**  trans-75.1134167.8-60.50000110.2V255T253-V255 HydrophobicContact CG2-CG2 4.3Å
254M33.3Very low31.8Very low167 Ų167146.2 Ų146.282%0.82379%0.794SS**  trans-133.2132.3165.9-164.2172.5-66.300109.9
255V28.6Very low31.8Very low114 Ų114149 Ų14969%0.69180%0.802SS**  trans-119.9129.9177.6173.60000107.8T253T253-V255 HydrophobicContact CG2-CG2 4.3Å
256I31.6Very low31.8Very low138 Ų138144.6 Ų144.671%0.70879%0.786SS**  trans-137.8121.6166-55.8-179.8000106.7
257N27.3Very low31.7Very low151 Ų151141.9 Ų141.981%0.80778%0.78SS**  trans-116.7110.6172.6-84.324000108.8
258S30.6Very low31.7Very low87 Ų87141.7 Ų141.761%0.60878%0.776SS**  trans-179.7145.8158.2420000108.1
259E28.8Very low31.8Very low165 Ų165142 Ų14277%0.77178%0.775SS**  cis-154.5148.9-7.3-107.9140.4-149.200107
260D32.1Very low31.8Very low137 Ų137147.8 Ų147.873%0.73378%0.778SS**  trans52.6127158.4-43.3-20.6000119
261E33.9Very low31.6Very low183 Ų183148.7 Ų148.786%0.85578%0.783SS**  67.5140.357.4-57.6-170.517900111.9
262E36.5Very low31.9Very low167 Ų167145.2 Ų145.278%0.7878%0.778SS**  cis-144.3149.837.6-69171151.400114.6
263E37.4Very low31.9Very low182 Ų182148.2 Ų148.285%0.8578%0.781SS**  trans56.2164.8132.9-59.4-171.2158.200122.3
264E35Very low32.3Very low179 Ų179147.8 Ų147.884%0.83678%0.784SS**  cis-133.1157.85.9-165.1-167-139.100106.7
265D31.9Very low32.2Very low150 Ų150145.5 Ų145.580%0.80278%0.782SS**  cis-138.3164.117.2177.360.5000107.5
266G31.2Very low32.5Very low56 Ų56149 Ų14958%0.57779%0.79SS**  cis-177.9-165.518.600000117.3
267T28.9Very low32.7Very low125 Ų125149.1 Ų149.177%0.76780%0.798SS**  trans-137.8125.1-158.4-55.20000114.8
268M31.6Very low33.1Very low146 Ų146150.3 Ų150.372%0.71980%0.798SS**  178.5124.3116.2-97-152.7-67.300117.2
269K31.5Very low34.1Very low182 Ų182152.2 Ų152.279%0.79179%0.792SS**  trans50.8124.6132.8-60.8176.5-172.5157.70121.4
270R34.8Very low35Very low244 Ų244148.4 Ų148.492%0.92178%0.781SS**  trans-83.2146.1152.9-69.7176.2171.2163.9-2.9111.2
271N27.1Very low35.5Very low172 Ų172146.7 Ų146.792%0.9278%0.78SS**  trans-157163.3138.6-120.3-17.7000110.8
272A37.5Very low36.1Very low93 Ų93144.7 Ų144.777%0.76977%0.769SS**  trans-101.7137.9-155.900000116.5
273T28.8Very low36.6Very low139 Ų139140.7 Ų140.785%0.85375%0.751SS**  trans-154.3145153.120.90000108.3P275T273-P275 WeakPolarHBondContact O-CD 3.24Å
274S39.5Very low37.5Very low126 Ų126135 Ų13588%0.88173%0.727SS**PPolyproline II helixtrans-91.5128.9-179.3-54.90000112.6
275P31.3Very low38.1Very low120 Ų120133.7 Ų133.778%0.77972%0.715SS**PPolyproline II helixtrans-97.8160.7149.7-2.423.4000110.6T273T273-P275 WeakPolarHBondContact O-CD 3.24Å
276Q36Very low38.9Very low186 Ų186131.7 Ų131.787%0.86970%0.7SS**PPolyproline II helixtrans-73.1128.7178.7-64.9167.2-5300111.3Q278Q276-Q278 PolarHBondContact O-N 3.13Å
277V34.4Very low39.9Very low142 Ų142132.2 Ų132.286%0.86169%0.689SS**  trans-74.9111.8160.9179.20000107.6R279V277-R279 PolarHBondContact O-N 2.74Å
278Q36.8Very low41Very low176 Ų176132.9 Ų132.982%0.82268%0.681SS**  trans-69.4113.2171.1-74.8-176-31.500109.5Q276 P280Q276-Q278 PolarHBondContact O-N 3.13Å; Q278-P280 WeakPolarHBondContact O-CD 3.3Å
279R50.5Low42.1Very low127 Ų127130.7 Ų130.748%0.47967%0.669SS.*  trans-61.9122.6170.6-177.7-179.3179.988.4-12.8108.6V277 S281 M283 D284 D287V277-R279 PolarHBondContact O-N 2.74Å; R279-S281 PolarHBondContact O-N 2.72Å; R279-M283 HydrophobicContact CG-CB 4Å; R279-M283 HydrophobicContact CG-CG 4.45Å; R279-M283 HydrophobicContact CG-SD 3.81Å; R279-D284 IonicContact NE-OD1 2.72Å; R279-D284 PolarHBondContact NE-OD1 3.42Å; R279-D287 IonicContact CZ-OD2 3.15Å; R279-D287 IonicContact NE-OD2 2.74Å; R279-D287 IonicContact NH2-OD1 2.68Å; R279-D287 PolarHBondContact NH2-OD1 2.96Å; R279-D287 IonicContact NH2-OD2 3.18Å; R279-D287 PolarHBondContact NH2-OD2 2.88Å
280P48.3Very low42.7Very low84 Ų84127.1 Ų127.155%0.54566%0.659SS.*  trans-61.7133.6175.7-23.634.8000110.8Q278 F282 M283Q278-P280 WeakPolarHBondContact O-CD 3.3Å; P280-F282 PolarHBondContact O-N 3.22Å; P280-M283 PolarHBondContact O-N 3.07Å
281S42.1Very low42.9Very low101 Ų101123.6 Ų123.671%0.70665%0.651SS**THydrogen-bonded Turntrans-60.6-17.6-172.455.60000114.9R279 M283 D284R279-S281 PolarHBondContact O-N 2.72Å; S281-M283 VanDerWaalsContact C-N 3.27Å; S281-M283 PolarHBondContact O-N 2.71Å; S281-D284 PolarHBondContact O-N 2.68Å
282F47.3Very low43.7Very low141 Ų141123.4 Ų123.462%0.61864%0.642SS**THydrogen-bonded Turntrans-53.8-37.9167.1159.1-91.1000113P280 D284 Y285 F286P280-F282 PolarHBondContact O-N 3.22Å; F282-D284 VanDerWaalsContact C-N 3.28Å; F282-D284 PolarHBondContact O-N 3.02Å; F282-Y285 VanDerWaalsContact O-CB 3.23Å; F282-Y285 WeakPolarHBondContact O-CB 3.2Å; F282-Y285 PolarHBondContact O-N 2.93Å; F282-Y285 VanDerWaalsContact O-N 3.15Å; F282-F286 HydrophobicContact CD2-CE2 4.15Å; F282-F286 HydrophobicContact CE1-CD2 4.37Å; F282-F286 HydrophobicContact CE1-CE2 4Å; F282-F286 HydrophobicContact CE2-CD2 4.46Å; F282-F286 AromaticContact CE2-CE2 3.51Å; F282-F286 HydrophobicContact CE2-CE2 3.51Å; F282-F286 HydrophobicContact CE2-CZ 4.18Å; F282-F286 HydrophobicContact CZ-CD2 4.21Å; F282-F286 AromaticContact CZ-CE2 3.42Å; F282-F286 HydrophobicContact CZ-CE2 3.42Å; F282-F286 VanDerWaalsContact CZ-CE2 3.42Å; F282-F286 AromaticContact CZ-CZ 3.98Å; F282-F286 HydrophobicContact CZ-CZ 3.98Å
283M47.5Very low43.8Very low83 Ų83125.4 Ų125.441%0.40964%0.639SS.*Hα-helixtrans-66.2-31.8-179.4-72.9-179149.600112.5R279 P280 S281 Y285 F286 D287R279-M283 HydrophobicContact CG-CB 4Å; R279-M283 HydrophobicContact CG-CG 4.45Å; R279-M283 HydrophobicContact CG-SD 3.81Å; P280-M283 PolarHBondContact O-N 3.07Å; S281-M283 VanDerWaalsContact C-N 3.27Å; S281-M283 PolarHBondContact O-N 2.71Å; M283-Y285 PolarHBondContact O-N 3.02Å; M283-Y285 VanDerWaalsContact O-N 3.1Å; M283-F286 PolarHBondContact O-N 3.23Å; M283-D287 PolarHBondContact O-N 3.23Å
284D54.6Low44.3Very low64 Ų64127.1 Ų127.134%0.34264%0.635SS.*Hα-helixtrans-70-5.2178-54.8-13.1000113R279 S281 F282 K288R279-D284 IonicContact NE-OD1 2.72Å; R279-D284 PolarHBondContact NE-OD1 3.42Å; S281-D284 PolarHBondContact O-N 2.68Å; F282-D284 VanDerWaalsContact C-N 3.28Å; F282-D284 PolarHBondContact O-N 3.02Å; D284-K288 WeakPolarHBondContact O-CD 3.13Å; D284-K288 VanDerWaalsContact O-CG 3.23Å; D284-K288 WeakPolarHBondContact O-CG 3.47Å; D284-K288 PolarHBondContact O-NZ 3Å
285Y49.5Very low44.2Very low151 Ų151125.5 Ų125.559%0.59262%0.624SS**Hα-helixtrans-80.7-39.6169.9-173.1-98.8000111.1F282 M283 K288 Q289F282-Y285 VanDerWaalsContact O-CB 3.23Å; F282-Y285 WeakPolarHBondContact O-CB 3.2Å; F282-Y285 PolarHBondContact O-N 2.93Å; F282-Y285 VanDerWaalsContact O-N 3.15Å; M283-Y285 PolarHBondContact O-N 3.02Å; M283-Y285 VanDerWaalsContact O-N 3.1Å; Y285-K288 PolarHBondContact O-N 3.43Å; Y285-Q289 PolarHBondContact O-N 3.3Å
286F47.3Very low44.3Very low107 Ų107127.2 Ų127.247%0.46962%0.621SS.*Hα-helixtrans-73.2-45.3-178.4-74.5-96.9000111.8F282 M283 K288 Q289 D290F282-F286 HydrophobicContact CD2-CE2 4.15Å; F282-F286 HydrophobicContact CE1-CD2 4.37Å; F282-F286 HydrophobicContact CE1-CE2 4Å; F282-F286 HydrophobicContact CE2-CD2 4.46Å; F282-F286 AromaticContact CE2-CE2 3.51Å; F282-F286 HydrophobicContact CE2-CE2 3.51Å; F282-F286 HydrophobicContact CE2-CZ 4.18Å; F282-F286 HydrophobicContact CZ-CD2 4.21Å; F282-F286 AromaticContact CZ-CE2 3.42Å; F282-F286 HydrophobicContact CZ-CE2 3.42Å; F282-F286 VanDerWaalsContact CZ-CE2 3.42Å; F282-F286 AromaticContact CZ-CZ 3.98Å; F282-F286 HydrophobicContact CZ-CZ 3.98Å; M283-F286 PolarHBondContact O-N 3.23Å; F286-K288 PolarHBondContact O-N 3.46Å; F286-K288 VanDerWaalsContact O-N 3.11Å; F286-Q289 PolarHBondContact O-N 3.45Å; F286-D290 PolarHBondContact O-N 3.47Å
287D53.1Low43.9Very low68 Ų68126.6 Ų126.636%0.36462%0.618SS.*Hα-helixtrans-55-34.4174.8-56-45.3000111.5R279 M283 Q289 F291R279-D287 IonicContact CZ-OD2 3.15Å; R279-D287 IonicContact NE-OD2 2.74Å; R279-D287 IonicContact NH2-OD1 2.68Å; R279-D287 PolarHBondContact NH2-OD1 2.96Å; R279-D287 IonicContact NH2-OD2 3.18Å; R279-D287 PolarHBondContact NH2-OD2 2.88Å; M283-D287 PolarHBondContact O-N 3.23Å; D287-Q289 VanDerWaalsContact C-N 3.35Å; D287-F291 WeakPolarHBondContact O-CD2 3.37Å; D287-F291 PolarHBondContact O-N 3.31Å
288K52.3Low43.6Very low138 Ų138127.2 Ų127.260%0.662%0.616SS**Hα-helixtrans-77.3-13.6179.4-69.9-176.1-168.299.70114.4D284 Y285 F286D284-K288 WeakPolarHBondContact O-CD 3.13Å; D284-K288 VanDerWaalsContact O-CG 3.23Å; D284-K288 WeakPolarHBondContact O-CG 3.47Å; D284-K288 PolarHBondContact O-NZ 3Å; Y285-K288 PolarHBondContact O-N 3.43Å; F286-K288 PolarHBondContact O-N 3.46Å; F286-K288 VanDerWaalsContact O-N 3.11Å
289Q54.9Low43.2Very low100 Ų100123.2 Ų123.247%0.46761%0.607SS.*Hα-helixtrans-85.9-43.8168.6-62.5-15918.300111.1Y285 F286 D287 F291 K292 N293Y285-Q289 PolarHBondContact O-N 3.3Å; F286-Q289 PolarHBondContact O-N 3.45Å; D287-Q289 VanDerWaalsContact C-N 3.35Å; Q289-F291 PolarHBondContact O-N 3.35Å; Q289-K292 PolarHBondContact O-N 3.06Å; Q289-N293 PolarHBondContact O-N 3.37Å
290D42.4Very low42.2Very low107 Ų107124.6 Ų124.657%0.57262%0.624SS**Hα-helixtrans-60.1-29.7178.6-87.1-31.1000113.8F286F286-D290 PolarHBondContact O-N 3.47Å
291F39.4Very low41.7Very low171 Ų171129 Ų12975%0.7564%0.637SS**THydrogen-bonded Turntrans-77.4-21.1173.3-91.5-79.6000114.5D287 Q289D287-F291 WeakPolarHBondContact O-CD2 3.37Å; D287-F291 PolarHBondContact O-N 3.31Å; Q289-F291 PolarHBondContact O-N 3.35Å
292K43.3Very low41Very low167 Ų167132.3 Ų132.373%0.72665%0.647SS**G310 helixtrans-80.3-32.2176.5-78-174.3173.3-174.60112.7Q289 K294Q289-K292 PolarHBondContact O-N 3.06Å; K292-K294 PolarHBondContact O-N 3.05Å; K292-K294 VanDerWaalsContact O-N 3.13Å
293N41Very low40.2Very low135 Ų135134 Ų13472%0.72266%0.659SS**G310 helixtrans-81.821.7-179.1-73-4.2000114.4Q289Q289-N293 PolarHBondContact O-N 3.37Å
294K37.8Very low39.5Very low176 Ų176138.5 Ų138.577%0.76568%0.679SS**G310 helixtrans-125.711.9-177.2-84.4177.5177.9160.80115.6K292K292-K294 PolarHBondContact O-N 3.05Å; K292-K294 VanDerWaalsContact O-N 3.13Å
295S38.1Very low38.1Very low91 Ų91144 Ų14464%0.63670%0.702SS**SBendtrans-139.932.4-179.169.50000115.8
296H32.8Very low37.3Very low157 Ų157142.1 Ų142.173%0.72771%0.709SS**  trans-160.2141.5159-89.9-83.6000107
297E29.4Very low36.3Very low173 Ų173146.5 Ų146.581%0.80873%0.728SS**  cis-152.7176.9-19.4-153.1163.3174.900108.9
298N28.2Very low35.3Very low154 Ų154148.8 Ų148.882%0.82475%0.746SS**  trans-99.1139.4-169.3-165.115.2000113.3
299C27.3Very low34.4Very low92 Ų92151.3 Ų151.362%0.62276%0.762SS**  trans61105.9158.3-157.10000119.1
300N29.1Very low33.2Very low156 Ų156151.3 Ų151.383%0.83477%0.774SS**  -162.1152.2105.1-102.3-39.2000112.6
301Q37.8Very low33.4Very low178 Ų178155.4 Ų155.483%0.83279%0.787SS**  trans-94.8142.8178.3-63.5169.8-48.100110.8
302N28Very low33.8Very low169 Ų169154.4 Ų154.490%0.90479%0.789SS**  trans-161.9171.7140.3-105.6-43.1000111.7
303M30Very low34Very low177 Ų177151 Ų15187%0.87278%0.782SS**  trans-84.2165.6-159.2-69-66.4-179.100116.2
304H33.8Very low34.5Very low178 Ų178147.1 Ų147.182%0.82476%0.759SS**  trans-51.5151.7170.3-76.3-74.8000115
305E24.6Very low35.4Very low179 Ų179139.5 Ų139.584%0.83673%0.727SS**  -134152.6116.6-82.3-154.1128.800110.5
306P33.3Very low36.2Very low112 Ų112140.7 Ų140.773%0.72773%0.726SS**PPolyproline II helixtrans-94.7129.5172.734.7-29.3000111.9
307F26.1Very low37.5Very low199 Ų199136 Ų13687%0.87371%0.706SS**PPolyproline II helixtrans-73.7142.4168.3-79.3-91.7000111M309F307-M309 PolarHBondContact O-N 3.07Å
308P31.8Very low39.2Very low116 Ų116129.4 Ų129.475%0.75367%0.674SS**PPolyproline II helixtrans-73.9126.4178.729.8-33.6000111.1S310P308-S310 PolarHBondContact O-N 3.33Å
309M33Very low40.9Very low190 Ų190126.3 Ų126.394%0.93665%0.654SS**  trans-76.8106.1170.9-72-178.8175.300110.6F307F307-M309 PolarHBondContact O-N 3.07Å
310S31Very low42.9Very low101 Ų101125.9 Ų125.971%0.70665%0.648SS**  trans-60.7147.2159.7-60.10000110.2P308P308-S310 PolarHBondContact O-N 3.33Å
311K45Very low45Very low193 Ų193120.4 Ų120.484%0.83962%0.621SS**SBendtrans-85.2144.1171.6-74-175.1175.1-1770110.2
312N48.4Very low46.7Very low150 Ų150121.5 Ų121.580%0.80263%0.626SS**  trans59.497.1171.6-59.116.4000114
313V47.7Very low48.9Very low95 Ų95119.9 Ų119.958%0.57662%0.617SS**  trans-112.6-10178.8-167.70000112.3
314F52Low51Low53 Ų53113.4 Ų113.423%0.23260%0.596CS.*SBendtrans-141.6140.3175.9-54.3-62.2000109.7W318 A343 P346 M347F314-W318 HydrophobicContact CD1-CZ3 4.31Å; F314-A343 HydrophobicContact CD1-CB 3.99Å; F314-A343 HydrophobicContact CE1-CB 3.79Å; F314-A343 HydrophobicContact CG-CB 4.48Å; F314-A343 HydrophobicContact CZ-CB 4.12Å; F314-P346 HydrophobicContact CE2-CB 3.55Å; F314-P346 HydrophobicContact CE2-CG 4.47Å; F314-P346 HydrophobicContact CZ-CB 4.01Å; F314-P346 HydrophobicContact CZ-CG 4.49Å; F314-M347 HydrophobicContact CB-CG 4.34Å; F314-M347 HydrophobicContact CB-SD 4.09Å; F314-M347 HydrophobicContact CD2-CG 3.62Å; F314-M347 HydrophobicContact CD2-SD 4.36Å; F314-M347 HydrophobicContact CE2-CG 4.33Å; F314-M347 HydrophobicContact CG-CG 4.13Å; F314-M347 HydrophobicContact CG-SD 4.28Å
315P57.2Low53.2Low17 Ų17108.4 Ų108.411%0.1158%0.575CS.*  trans-67.8158.5177.627.7-34.4000112.8E201 N317 W318E201-P315 HydrophobicContact CB-CB 4.18Å; E201-P315 WeakPolarHBondContact OE2-CB 3.45Å; P315-N317 WeakPolarHBondContact CB-OD1 3.22Å; P315-N317 VanDerWaalsContact CG-OD1 3.24Å; P315-N317 WeakPolarHBondContact CG-OD1 3.32Å; P315-N317 PolarHBondContact O-N 3.16Å; P315-W318 HydrophobicContact CG-CG 4.5Å; P315-W318 PolarHBondContact O-N 3.5Å
316D54.6Low56.1Low115 Ų115104.8 Ų104.862%0.61556%0.557SS**G310 helixtrans-74.9-14-169.9-123.836.8000112.9K319D316-K319 WeakPolarHBondContact OD1-CE 3.22Å; D316-K319 IonicContact OD1-NZ 3.14Å; D316-K319 PolarHBondContact OD1-NZ 3.35Å; D316-K319 IonicContact OD2-NZ 2.72Å; D316-K319 PolarHBondContact OD2-NZ 3.26Å
317N59.5Low58.4Low58 Ų58101.5 Ų101.531%0.3153%0.533SS..G310 helixtrans-77.7-9.6178.869.7-14.7000114.6L198 E202 P315L198-N317 HydrophobicContact CD2-CB 4.12Å; E202-N317 PolarHBondContact OE1-ND2 2.95Å; P315-N317 WeakPolarHBondContact CB-OD1 3.22Å; P315-N317 VanDerWaalsContact CG-OD1 3.24Å; P315-N317 WeakPolarHBondContact CG-OD1 3.32Å; P315-N317 PolarHBondContact O-N 3.16Å
318W63.9Low61.2Low35 Ų3595.3 Ų95.313%0.13351%0.506CS..G310 helixtrans-92.71178.2-75.720.6000113.8F314 P315 M339 R340 A343 M347F314-W318 HydrophobicContact CD1-CZ3 4.31Å; P315-W318 HydrophobicContact CG-CG 4.5Å; P315-W318 PolarHBondContact O-N 3.5Å; W318-M339 HydrophobicContact CH2-CB 3.87Å; W318-M339 HydrophobicContact CH2-CE 4.32Å; W318-M339 HydrophobicContact CZ3-CB 4.47Å; W318-R340 HydrophobicContact CD2-CG 4.07Å; W318-R340 HydrophobicContact CE3-CG 4.33Å; W318-R340 HydrophobicContact CG-CG 4.48Å; W318-A343 HydrophobicContact CE3-CB 3.77Å; W318-A343 HydrophobicContact CZ3-CB 3.62Å; W318-M347 VanDerWaalsContact C-CE 3.5Å; W318-M347 HydrophobicContact CB-CE 3.84Å; W318-M347 HydrophobicContact CB-SD 3.73Å; W318-M347 HydrophobicContact CE3-SD 4.48Å
319K65.4Low63.8Low90 Ų9092.7 Ų92.739%0.39149%0.485SS..SBendtrans-59139.4173.2-70.2173.1-174.5166.10110.3D316 M347D316-K319 WeakPolarHBondContact OD1-CE 3.22Å; D316-K319 IonicContact OD1-NZ 3.14Å; D316-K319 PolarHBondContact OD1-NZ 3.35Å; D316-K319 IonicContact OD2-NZ 2.72Å; D316-K319 PolarHBondContact OD2-NZ 3.26Å; K319-M347 HydrophobicContact CG-CE 4.13Å
320V69.3Low66.3Low83 Ų8391 Ų9150%0.50347%0.473SS..PPolyproline II helixtrans-61.1126.9179.9-177.30000109.1Q322 F326 L344V320-Q322 PolarHBondContact O-N 3.26Å; V320-F326 HydrophobicContact CG1-CE1 4.22Å; V320-F326 HydrophobicContact CG1-CZ 4.02Å; V320-L344 HydrophobicContact CG2-CD1 3.98Å
321P73.8Confident68.8Low40 Ų4093.2 Ų93.226%0.2648%0.477SS..PPolyproline II helixtrans-57128.2179.2-27.736.8000111.9D323 G324 F328P321-D323 VanDerWaalsContact C-N 3.3Å; P321-D323 WeakPolarHBondContact CB-OD1 3.42Å; P321-D323 PolarHBondContact O-N 2.32Å; P321-G324 PolarHBondContact O-N 3.36Å; P321-G324 VanDerWaalsContact O-N 3.13Å; P321-F328 HydrophobicContact CG-CE1 3.83Å; P321-F328 HydrophobicContact CG-CZ 4.34Å
322Q72.3Confident70.7Confident201 Ų20185.6 Ų85.694%0.93945%0.445SS*.THydrogen-bonded Turntrans-78.7-16.7-173-63.2-176.610.600113.2V320 G324V320-Q322 PolarHBondContact O-N 3.26Å; Q322-G324 VanDerWaalsContact C-N 3.33Å
323D74.4Confident72.7Confident135 Ų13581 Ų8172%0.72243%0.425SS*.THydrogen-bonded Turntrans-78.2-17.4167.645.627.7000112.6P321 D325P321-D323 VanDerWaalsContact C-N 3.3Å; P321-D323 WeakPolarHBondContact CB-OD1 3.42Å; P321-D323 PolarHBondContact O-N 2.32Å; D323-D325 VanDerWaalsContact C-N 3.32Å; D323-D325 PolarHBondContact OD1-N 3.01Å
324G75Confident74.5Confident41 Ų4182.5 Ų82.542%0.42343%0.429SS..  trans73.618-175.100000114.1P321 Q322 F326P321-G324 PolarHBondContact O-N 3.36Å; P321-G324 VanDerWaalsContact O-N 3.13Å; Q322-G324 VanDerWaalsContact C-N 3.33Å; G324-F326 WeakPolarHBondContact O-CD2 3.48Å; G324-F326 WeakPolarHBondContact O-CE2 3.43Å
325D79.5Confident76.2Confident74 Ų7486.9 Ų86.940%0.39645%0.45SS..  trans-76.4127.8171.3-172.824.8000111.1D323 D327 F328D323-D325 VanDerWaalsContact C-N 3.32Å; D323-D325 PolarHBondContact OD1-N 3.01Å; D325-D327 WeakPolarHBondContact OD1-CB 3.44Å; D325-D327 PolarHBondContact OD1-N 3.06Å; D325-F328 WeakPolarHBondContact O-CE1 3.05Å
326F85.8Confident77.4Confident102 Ų10289.2 Ų89.245%0.44746%0.46SS..  trans-123.99.4177.9-61.6-74.7000112V320 G324 F328 L329V320-F326 HydrophobicContact CG1-CE1 4.22Å; V320-F326 HydrophobicContact CG1-CZ 4.02Å; G324-F326 WeakPolarHBondContact O-CD2 3.48Å; G324-F326 WeakPolarHBondContact O-CE2 3.43Å; F326-F328 HydrophobicContact CD1-CE1 4.1Å; F326-F328 PolarHBondContact O-N 3.13Å; F326-L329 HydrophobicContact CB-CD1 3.91Å; F326-L329 HydrophobicContact CB-CG 4.27Å; F326-L329 HydrophobicContact CD1-CD1 4.06Å; F326-L329 HydrophobicContact CG-CD1 4.37Å; F326-L329 WeakPolarHBondContact O-CB 3.37Å; F326-L329 WeakPolarHBondContact O-CG 3.46Å; F326-L329 PolarHBondContact O-N 3.18Å; F326-L329 VanDerWaalsContact O-N 3.07Å
327D81.8Confident78.9Confident44 Ų4486.7 Ų86.724%0.23545%0.446CS..G310 helixtrans-57.9-29.4175.9-95.80.4000111.6K91 N92 D325 L329 K330K91-D327 IonicContact NZ-OD2 2.58Å; K91-D327 PolarHBondContact NZ-OD2 3.27Å; N92-D327 PolarHBondContact ND2-OD2 3.4Å; N92-D327 VanDerWaalsContact ND2-OD2 3.14Å; D325-D327 WeakPolarHBondContact OD1-CB 3.44Å; D325-D327 PolarHBondContact OD1-N 3.06Å; D327-L329 PolarHBondContact O-N 1.82Å; D327-K330 WeakPolarHBondContact O-CB 3.49Å; D327-K330 WeakPolarHBondContact O-CG 3.45Å; D327-K330 PolarHBondContact O-N 3.36Å; D327-K330 WeakPolarHBondContact OD1-CE 3.31Å; D327-K330 IonicContact OD1-NZ 2.89Å; D327-K330 PolarHBondContact OD1-NZ 2.95Å; D327-K330 IonicContact OD2-NZ 2.73Å
328F83.4Confident80.2Confident69 Ų6989.5 Ų89.530%0.30346%0.457SS..G310 helixtrans-59.9-29.317679.6-83.2000113.9P321 D325 F326 K330 N331 L332P321-F328 HydrophobicContact CG-CE1 3.83Å; P321-F328 HydrophobicContact CG-CZ 4.34Å; D325-F328 WeakPolarHBondContact O-CE1 3.05Å; F326-F328 HydrophobicContact CD1-CE1 4.1Å; F326-F328 PolarHBondContact O-N 3.13Å; F328-K330 PolarHBondContact O-N 3.11Å; F328-K330 VanDerWaalsContact O-N 3.07Å; F328-N331 PolarHBondContact O-N 3.29Å; F328-L332 HydrophobicContact CD2-CD1 4.28Å; F328-L332 HydrophobicContact CE2-CD1 4.1Å
329L87.3Confident81.1Confident60 Ų6090.4 Ų90.431%0.31446%0.463SS..G310 helixtrans-60.3-21.3178.9-62.9-178.7000112.7F326 D327 N331 L332 L337F326-L329 HydrophobicContact CB-CD1 3.91Å; F326-L329 HydrophobicContact CB-CG 4.27Å; F326-L329 HydrophobicContact CD1-CD1 4.06Å; F326-L329 HydrophobicContact CG-CD1 4.37Å; F326-L329 WeakPolarHBondContact O-CB 3.37Å; F326-L329 WeakPolarHBondContact O-CG 3.46Å; F326-L329 PolarHBondContact O-N 3.18Å; F326-L329 VanDerWaalsContact O-N 3.07Å; D327-L329 PolarHBondContact O-N 1.82Å; L329-N331 PolarHBondContact O-N 2.93Å; L329-L332 HydrophobicContact CD2-CD1 3.71Å; L329-L332 PolarHBondContact O-N 3.47Å; L329-L337 HydrophobicContact CB-CD2 4.07Å; L329-L337 HydrophobicContact CD2-CD2 3.86Å; L329-L337 HydrophobicContact CG-CD2 4.43Å
330K85.4Confident82Confident155 Ų15588.6 Ų88.667%0.67445%0.454SS*.G310 helixtrans-70-17.7178-62169178.1169.60113.4D327 F328D327-K330 WeakPolarHBondContact O-CB 3.49Å; D327-K330 WeakPolarHBondContact O-CG 3.45Å; D327-K330 PolarHBondContact O-N 3.36Å; D327-K330 WeakPolarHBondContact OD1-CE 3.31Å; D327-K330 IonicContact OD1-NZ 2.89Å; D327-K330 PolarHBondContact OD1-NZ 2.95Å; D327-K330 IonicContact OD2-NZ 2.73Å; F328-K330 PolarHBondContact O-N 3.11Å; F328-K330 VanDerWaalsContact O-N 3.07Å
331N83.4Confident82.9Confident148 Ų14890.6 Ų90.679%0.79146%0.461SS*.G310 helixtrans-101.8-6.7-177.3-59.3-29000112.9F328 L329F328-N331 PolarHBondContact O-N 3.29Å; L329-N331 PolarHBondContact O-N 2.93Å
332L85.2Confident83.4Confident33 Ų3395.2 Ų95.217%0.17348%0.477CS..SBendtrans-84.4153.2177.4-55.8177.8000111F328 L329 E336 L337F328-L332 HydrophobicContact CD2-CD1 4.28Å; F328-L332 HydrophobicContact CE2-CD1 4.1Å; L329-L332 HydrophobicContact CD2-CD1 3.71Å; L329-L332 PolarHBondContact O-N 3.47Å; L332-E336 HydrophobicContact CB-CB 4.16Å; L332-E336 WeakPolarHBondContact CD2-OE1 3.46Å; L332-L337 HydrophobicContact CB-CD2 4.25Å; L332-L337 HydrophobicContact CB-CG 4.07Å; L332-L337 HydrophobicContact CD1-CD2 3.9Å; L332-L337 HydrophobicContact CD1-CG 4.46Å
333S89.6Confident83.9Confident53 Ų5385.8 Ų85.837%0.37143%0.434SS..  trans-70.7166.8168.372.30000112.5E335 E336 L337S333-E335 PolarHBondContact O-N 2.88Å; S333-E335 PolarHBondContact OG-N 3.31Å; S333-E336 WeakPolarHBondContact CA-OE2 3.25Å; S333-E336 WeakPolarHBondContact CB-OE2 3.45Å; S333-E336 PolarHBondContact N-OE2 3.16Å; S333-E336 WeakPolarHBondContact OG-CG 3.44Å; S333-E336 PolarHBondContact OG-N 2.97Å; S333-E336 PolarHBondContact OG-OE2 2.94Å; S333-L337 WeakPolarHBondContact O-CD1 3.45Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.28Å; S333-L337 PolarHBondContact O-N 3.44Å
334L85.6Confident84.4Confident127 Ų12783.3 Ų83.367%0.66542%0.42SS*.Hα-helixtrans-62.4-25.8174.2-179.160.5000112.7Q338L334-Q338 VanDerWaalsContact O-CG 3.28Å; L334-Q338 WeakPolarHBondContact O-CG 3.42Å; L334-Q338 PolarHBondContact O-N 3.39Å
335E88.3Confident84.9Confident145 Ų14586.2 Ų86.268%0.67843%0.426SS*.Hα-helixtrans-79.8-49.7-175.7-160.9140.4-142.300110.3S333 L337 Q338 M339S333-E335 PolarHBondContact O-N 2.88Å; S333-E335 PolarHBondContact OG-N 3.31Å; E335-L337 VanDerWaalsContact C-N 3.27Å; E335-L337 PolarHBondContact O-N 3.2Å; E335-Q338 WeakPolarHBondContact O-CA 3.48Å; E335-Q338 WeakPolarHBondContact O-CB 3.3Å; E335-Q338 PolarHBondContact O-N 2.9Å; E335-M339 WeakPolarHBondContact O-CG 3.22Å; E335-M339 PolarHBondContact O-N 3.31Å
336E82.9Confident85.1Confident66 Ų6685.3 Ų85.331%0.30842%0.424SS..Hα-helixtrans-55.4-40.2170.6-68.6158.680.100112.4L332 S333 Q338 M339 R340L332-E336 HydrophobicContact CB-CB 4.16Å; L332-E336 WeakPolarHBondContact CD2-OE1 3.46Å; S333-E336 WeakPolarHBondContact CA-OE2 3.25Å; S333-E336 WeakPolarHBondContact CB-OE2 3.45Å; S333-E336 PolarHBondContact N-OE2 3.16Å; S333-E336 WeakPolarHBondContact OG-CG 3.44Å; S333-E336 PolarHBondContact OG-N 2.97Å; S333-E336 PolarHBondContact OG-OE2 2.94Å; E336-Q338 VanDerWaalsContact C-N 3.32Å; E336-Q338 PolarHBondContact O-N 3.32Å; E336-M339 PolarHBondContact O-N 3.39Å; E336-R340 WeakPolarHBondContact O-CB 3.48Å; E336-R340 WeakPolarHBondContact O-CG 3.44Å; E336-R340 PolarHBondContact O-N 3.13Å
337L86.1Confident85Confident62 Ų6281.3 Ų81.333%0.32541%0.407SS..Hα-helixtrans-65.3-33.6176-71.8170.3000112.5L329 L332 S333 E335 L341L329-L337 HydrophobicContact CB-CD2 4.07Å; L329-L337 HydrophobicContact CD2-CD2 3.86Å; L329-L337 HydrophobicContact CG-CD2 4.43Å; L332-L337 HydrophobicContact CB-CD2 4.25Å; L332-L337 HydrophobicContact CB-CG 4.07Å; L332-L337 HydrophobicContact CD1-CD2 3.9Å; L332-L337 HydrophobicContact CD1-CG 4.46Å; S333-L337 WeakPolarHBondContact O-CD1 3.45Å; S333-L337 VanDerWaalsContact O-CG 3.24Å; S333-L337 WeakPolarHBondContact O-CG 3.28Å; S333-L337 PolarHBondContact O-N 3.44Å; E335-L337 VanDerWaalsContact C-N 3.27Å; E335-L337 PolarHBondContact O-N 3.2Å; L337-L341 WeakPolarHBondContact O-CB 3.47Å; L337-L341 PolarHBondContact O-N 2.95Å
338Q85.9Confident85.1Confident117 Ų11783.7 Ų83.755%0.54742%0.418SS..Hα-helixtrans-75.5-39.4174.7-73.7174.230.600111.9L334 E335 E336 L341 K342L334-Q338 VanDerWaalsContact O-CG 3.28Å; L334-Q338 WeakPolarHBondContact O-CG 3.42Å; L334-Q338 PolarHBondContact O-N 3.39Å; E335-Q338 WeakPolarHBondContact O-CA 3.48Å; E335-Q338 WeakPolarHBondContact O-CB 3.3Å; E335-Q338 PolarHBondContact O-N 2.9Å; E336-Q338 VanDerWaalsContact C-N 3.32Å; E336-Q338 PolarHBondContact O-N 3.32Å; Q338-L341 PolarHBondContact O-N 2.81Å; Q338-K342 WeakPolarHBondContact O-CB 3.48Å; Q338-K342 PolarHBondContact O-N 3.11Å
339M81.9Confident85.4Confident53 Ų5387 Ų8726%0.26143%0.434SS..Hα-helixtrans-63.4-47.8176-68.3165.878.700111.7D206 W318 E335 E336 L341 K342 A343D206-M339 WeakPolarHBondContact OD1-CE 3.2Å; W318-M339 HydrophobicContact CH2-CB 3.87Å; W318-M339 HydrophobicContact CH2-CE 4.32Å; W318-M339 HydrophobicContact CZ3-CB 4.47Å; E335-M339 WeakPolarHBondContact O-CG 3.22Å; E335-M339 PolarHBondContact O-N 3.31Å; E336-M339 PolarHBondContact O-N 3.39Å; M339-L341 VanDerWaalsContact C-N 3.27Å; M339-L341 PolarHBondContact O-N 3.26Å; M339-K342 WeakPolarHBondContact O-CB 3.23Å; M339-K342 PolarHBondContact O-N 2.98Å; M339-K342 VanDerWaalsContact O-N 3.14Å; M339-A343 PolarHBondContact O-N 3.36Å
340R85.8Confident85.2Confident53 Ų5388.2 Ų88.220%0.243%0.434CS..Hα-helixtrans-60.6-35.8175.7-70.8175.2-172.3-103.7-0112.1W318 E336 L344W318-R340 HydrophobicContact CD2-CG 4.07Å; W318-R340 HydrophobicContact CE3-CG 4.33Å; W318-R340 HydrophobicContact CG-CG 4.48Å; E336-R340 WeakPolarHBondContact O-CB 3.48Å; E336-R340 WeakPolarHBondContact O-CG 3.44Å; E336-R340 PolarHBondContact O-N 3.13Å; R340-L344 PolarHBondContact O-N 3.34Å
341L87.4Confident85.2Confident125 Ų12585.8 Ų85.865%0.65443%0.426SS*.Hα-helixtrans-70.7-39.7174.4-174.262.5000112.5L337 Q338 M339 A343 L344L337-L341 WeakPolarHBondContact O-CB 3.47Å; L337-L341 PolarHBondContact O-N 2.95Å; Q338-L341 PolarHBondContact O-N 2.81Å; M339-L341 VanDerWaalsContact C-N 3.27Å; M339-L341 PolarHBondContact O-N 3.26Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 3.3Å; L341-L344 PolarHBondContact O-N 2.72Å
342K84.6Confident85.5Confident137 Ų13782.2 Ų82.260%0.59641%0.406SS*.Hα-helixtrans-62.2-34.6174.7178.5-173.5172-168.10112.1E209 Q338 M339E209-K342 IonicContact OE1-NZ 2.85Å; E209-K342 PolarHBondContact OE1-NZ 3.28Å; E209-K342 IonicContact OE2-NZ 3.94Å; E209-K342 PolarHBondContact OE2-NZ 2.98Å; Q338-K342 WeakPolarHBondContact O-CB 3.48Å; Q338-K342 PolarHBondContact O-N 3.11Å; M339-K342 WeakPolarHBondContact O-CB 3.23Å; M339-K342 PolarHBondContact O-N 2.98Å; M339-K342 VanDerWaalsContact O-N 3.14Å
343A83.5Confident85.8Confident3 Ų384.8 Ų84.83%0.02542%0.417CS..Hα-helixtrans-88.8-13-178.500000115.2F314 W318 M339 L341 D345 P346 M347F314-A343 HydrophobicContact CD1-CB 3.99Å; F314-A343 HydrophobicContact CE1-CB 3.79Å; F314-A343 HydrophobicContact CG-CB 4.48Å; F314-A343 HydrophobicContact CZ-CB 4.12Å; W318-A343 HydrophobicContact CE3-CB 3.77Å; W318-A343 HydrophobicContact CZ3-CB 3.62Å; M339-A343 PolarHBondContact O-N 3.36Å; L341-A343 VanDerWaalsContact C-N 3.31Å; L341-A343 PolarHBondContact O-N 3.3Å; A343-D345 PolarHBondContact O-N 2.61Å; A343-P346 WeakPolarHBondContact O-CD 3.35Å; A343-M347 HydrophobicContact CB-SD 4.49Å; A343-M347 WeakPolarHBondContact O-CG 3.25Å; A343-M347 PolarHBondContact O-N 2.97Å
344L85.1Confident85.7Confident83 Ų8387 Ų8744%0.43542%0.421SS..Hα-helixtrans-58.6-47.3-172.5-173.464.9000113.2V320 R340 L341 M347 M348V320-L344 HydrophobicContact CG2-CD1 3.98Å; R340-L344 PolarHBondContact O-N 3.34Å; L341-L344 PolarHBondContact O-N 2.72Å; L344-M347 PolarHBondContact O-N 2.95Å; L344-M348 WeakPolarHBondContact O-CB 3.48Å; L344-M348 PolarHBondContact O-N 3.41Å
345D85.1Confident85.9Confident101 Ų10185 Ų8554%0.5441%0.411SS..Hα-helixtrans-64.9-51.5178.6-75.3-35.7000112A343 M347 M348 E349A343-D345 PolarHBondContact O-N 2.61Å; D345-M347 VanDerWaalsContact C-N 3.27Å; D345-M347 PolarHBondContact O-N 3.16Å; D345-M348 PolarHBondContact O-N 2.83Å; D345-M348 VanDerWaalsContact OD1-CE 3.3Å; D345-M348 WeakPolarHBondContact OD1-CE 3.28Å; D345-E349 PolarHBondContact O-N 3.06Å
346P83.2Confident86.1Confident55 Ų5585.5 Ų85.536%0.35741%0.406SS..Hα-helixtrans-53.6-35.5172-31.335.6000115.7F314 A343 R350F314-P346 HydrophobicContact CE2-CB 3.55Å; F314-P346 HydrophobicContact CE2-CG 4.47Å; F314-P346 HydrophobicContact CZ-CB 4.01Å; F314-P346 HydrophobicContact CZ-CG 4.49Å; A343-P346 WeakPolarHBondContact O-CD 3.35Å; P346-R350 PolarHBondContact O-N 3.49Å
347M82.8Confident86.5Confident18 Ų1887.8 Ų87.89%0.08942%0.417CS..Hα-helixtrans-73.9-42.8176.7-70.8-173.468.900111.8F314 W318 K319 A343 L344 D345 E349 R350 E351F314-M347 HydrophobicContact CB-CG 4.34Å; F314-M347 HydrophobicContact CB-SD 4.09Å; F314-M347 HydrophobicContact CD2-CG 3.62Å; F314-M347 HydrophobicContact CD2-SD 4.36Å; F314-M347 HydrophobicContact CE2-CG 4.33Å; F314-M347 HydrophobicContact CG-CG 4.13Å; F314-M347 HydrophobicContact CG-SD 4.28Å; W318-M347 VanDerWaalsContact C-CE 3.5Å; W318-M347 HydrophobicContact CB-CE 3.84Å; W318-M347 HydrophobicContact CB-SD 3.73Å; W318-M347 HydrophobicContact CE3-SD 4.48Å; K319-M347 HydrophobicContact CG-CE 4.13Å; A343-M347 HydrophobicContact CB-SD 4.49Å; A343-M347 WeakPolarHBondContact O-CG 3.25Å; A343-M347 PolarHBondContact O-N 2.97Å; L344-M347 PolarHBondContact O-N 2.95Å; D345-M347 VanDerWaalsContact C-N 3.27Å; D345-M347 PolarHBondContact O-N 3.16Å; M347-E349 VanDerWaalsContact C-N 3.35Å; M347-E349 PolarHBondContact O-N 3.39Å; M347-R350 WeakPolarHBondContact O-CB 3.42Å; M347-R350 PolarHBondContact O-N 2.91Å; M347-E351 PolarHBondContact O-N 3.38Å
348M85.7Confident86.8Confident95 Ų9591.2 Ų91.247%0.46843%0.426SS..Hα-helixtrans-59.2-43.6173.7177178.757.600111.8L344 D345 R350 E351 I352L344-M348 WeakPolarHBondContact O-CB 3.48Å; L344-M348 PolarHBondContact O-N 3.41Å; D345-M348 PolarHBondContact O-N 2.83Å; D345-M348 VanDerWaalsContact OD1-CE 3.3Å; D345-M348 WeakPolarHBondContact OD1-CE 3.28Å; M348-R350 VanDerWaalsContact C-N 3.35Å; M348-R350 PolarHBondContact O-N 3.34Å; M348-E351 PolarHBondContact O-N 2.9Å; M348-I352 HydrophobicContact CG-CD1 3.71Å; M348-I352 HydrophobicContact CG-CG1 4.43Å; M348-I352 WeakPolarHBondContact O-CB 3.28Å; M348-I352 VanDerWaalsContact O-CG1 3.22Å; M348-I352 WeakPolarHBondContact O-CG1 3.46Å; M348-I352 PolarHBondContact O-N 2.87Å; M348-I352 HydrophobicContact SD-CD1 4.46Å
349E88Confident87.1Confident139 Ų13992.7 Ų92.765%0.6543%0.427SS*.Hα-helixtrans-62.1-40.8176.1-72-165.8154.500112.3D345 M347 I352 E353D345-E349 PolarHBondContact O-N 3.06Å; M347-E349 VanDerWaalsContact C-N 3.35Å; M347-E349 PolarHBondContact O-N 3.39Å; E349-I352 PolarHBondContact O-N 3.2Å; E349-E353 WeakPolarHBondContact O-CB 3.38Å; E349-E353 PolarHBondContact O-N 3.37Å
350R82.9Confident87.7Confident84 Ų8492.5 Ų92.532%0.31743%0.43SS..Hα-helixtrans-60.9-49.5176-172.6-172-63.2167.11.2111.8P346 M347 M348 E353 E354P346-R350 PolarHBondContact O-N 3.49Å; M347-R350 WeakPolarHBondContact O-CB 3.42Å; M347-R350 PolarHBondContact O-N 2.91Å; M348-R350 VanDerWaalsContact C-N 3.35Å; M348-R350 PolarHBondContact O-N 3.34Å; R350-E353 PolarHBondContact O-N 3.29Å; R350-E354 PolarHBondContact O-N 3.26Å
351E86.4Confident88Confident105 Ų10593.3 Ų93.349%0.49145%0.447SS..Hα-helixtrans-64.4-40.5178.5-70.4-167.5177.800112.3M347 M348 E353 L355M347-E351 PolarHBondContact O-N 3.38Å; M348-E351 PolarHBondContact O-N 2.9Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 2.68Å; E351-L355 VanDerWaalsContact O-CB 3.3Å; E351-L355 WeakPolarHBondContact O-CB 3.16Å; E351-L355 PolarHBondContact O-N 3.38Å
352I89.9Confident88.4Confident72 Ų7294.6 Ų94.637%0.36945%0.447SS..Hα-helixtrans-60.4-43.3174.9-75.9171.7000110.9M348 E349 L355 R356M348-I352 HydrophobicContact CG-CD1 3.71Å; M348-I352 HydrophobicContact CG-CG1 4.43Å; M348-I352 WeakPolarHBondContact O-CB 3.28Å; M348-I352 VanDerWaalsContact O-CG1 3.22Å; M348-I352 WeakPolarHBondContact O-CG1 3.46Å; M348-I352 PolarHBondContact O-N 2.87Å; M348-I352 HydrophobicContact SD-CD1 4.46Å; E349-I352 PolarHBondContact O-N 3.2Å; I352-L355 PolarHBondContact O-N 3.08Å; I352-R356 HydrophobicContact CG2-CG 4.48Å; I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 VanDerWaalsContact O-CG 3.22Å; I352-R356 WeakPolarHBondContact O-CG 3.28Å; I352-R356 PolarHBondContact O-N 3.4Å
353E90.6Very high88.8Confident87 Ų8793.6 Ų93.641%0.40744%0.44SS..Hα-helixtrans-74.2-39.1-178.6-177.949.6-153.300112.6E349 R350 E351 L355 R356 Q357E349-E353 WeakPolarHBondContact O-CB 3.38Å; E349-E353 PolarHBondContact O-N 3.37Å; R350-E353 PolarHBondContact O-N 3.29Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 2.68Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 2.86Å; E353-R356 WeakPolarHBondContact O-CB 3.47Å; E353-R356 PolarHBondContact O-N 2.84Å; E353-R356 VanDerWaalsContact OE2-CD 3.25Å; E353-R356 WeakPolarHBondContact OE2-CD 3.49Å; E353-Q357 WeakPolarHBondContact O-CG 3.43Å; E353-Q357 PolarHBondContact O-N 3.4Å; E353-Q357 VanDerWaalsContact OE1-CG 3.28Å; E353-Q357 WeakPolarHBondContact OE1-CG 3.35Å; E353-Q357 PolarHBondContact OE1-NE2 3.05Å
354E87.4Confident89.4Confident100 Ų10097.4 Ų97.447%0.46746%0.457SS..Hα-helixtrans-56-43.3168-82.4-164.7-15000112R350 Q357 R358R350-E354 PolarHBondContact O-N 3.26Å; E354-Q357 PolarHBondContact O-N 2.92Å; E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.5Å; E354-R358 PolarHBondContact O-N 3.38Å; E354-R358 IonicContact OE2-NH2 2.68Å; E354-R358 PolarHBondContact OE2-NH2 3.45Å
355L91.6Very high89.9Confident86 Ų8697.3 Ų97.345%0.4546%0.462SS..Hα-helixtrans-66.7-40.9178.3-16864.4000111.3E351 I352 E353 R358 Y359E351-L355 VanDerWaalsContact O-CB 3.3Å; E351-L355 WeakPolarHBondContact O-CB 3.16Å; E351-L355 PolarHBondContact O-N 3.38Å; I352-L355 PolarHBondContact O-N 3.08Å; E353-L355 VanDerWaalsContact C-N 3.27Å; E353-L355 PolarHBondContact O-N 2.86Å; L355-R358 PolarHBondContact O-N 3.48Å; L355-Y359 HydrophobicContact CD1-CD2 4Å; L355-Y359 HydrophobicContact CD1-CE2 3.86Å; L355-Y359 HydrophobicContact CG-CD2 4.16Å; L355-Y359 HydrophobicContact CG-CE2 4.27Å; L355-Y359 WeakPolarHBondContact O-CB 3.32Å; L355-Y359 WeakPolarHBondContact O-CD2 3.36Å; L355-Y359 PolarHBondContact O-N 3.21Å
356R91.4Very high90.4Very high154 Ų15497.7 Ų97.758%0.58146%0.463SS*.Hα-helixtrans-60.4-43.9173.4-75.5166.7-173.6-85.3-0.7111.9I352 E353 T360I352-R356 HydrophobicContact CG2-CG 4.48Å; I352-R356 WeakPolarHBondContact O-CB 3.49Å; I352-R356 VanDerWaalsContact O-CG 3.22Å; I352-R356 WeakPolarHBondContact O-CG 3.28Å; I352-R356 PolarHBondContact O-N 3.4Å; E353-R356 WeakPolarHBondContact O-CB 3.47Å; E353-R356 PolarHBondContact O-N 2.84Å; E353-R356 VanDerWaalsContact OE2-CD 3.25Å; E353-R356 WeakPolarHBondContact OE2-CD 3.49Å; R356-T360 VanDerWaalsContact O-CB 3.28Å; R356-T360 WeakPolarHBondContact O-CB 3.45Å; R356-T360 PolarHBondContact O-N 3.4Å; R356-T360 PolarHBondContact O-OG1 3.3Å
357Q90.7Very high90.9Very high114 Ų11498.4 Ų98.453%0.53346%0.463SS..Hα-helixtrans-65.3-45.4176.6-69.8176.122.200111.2E353 E354 Y359 T360 A361E353-Q357 WeakPolarHBondContact O-CG 3.43Å; E353-Q357 PolarHBondContact O-N 3.4Å; E353-Q357 VanDerWaalsContact OE1-CG 3.28Å; E353-Q357 WeakPolarHBondContact OE1-CG 3.35Å; E353-Q357 PolarHBondContact OE1-NE2 3.05Å; E354-Q357 PolarHBondContact O-N 2.92Å; Q357-Y359 PolarHBondContact O-N 3.37Å; Q357-T360 WeakPolarHBondContact O-CA 3.44Å; Q357-T360 WeakPolarHBondContact O-CB 3.48Å; Q357-T360 PolarHBondContact O-N 2.88Å; Q357-A361 PolarHBondContact O-N 2.94Å
358R92.6Very high91.5Very high135 Ų135101.5 Ų101.551%0.50948%0.48SS..Hα-helixtrans-59.5-41.6177.1-163.3178.9-58.8164.95.5112.3E354 L355 K362E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.5Å; E354-R358 PolarHBondContact O-N 3.38Å; E354-R358 IonicContact OE2-NH2 2.68Å; E354-R358 PolarHBondContact OE2-NH2 3.45Å; L355-R358 PolarHBondContact O-N 3.48Å; R358-K362 WeakPolarHBondContact O-CG 3.43Å; R358-K362 PolarHBondContact O-N 2.91Å
359Y93.5Very high91.9Very high147 Ų14799.3 Ų99.358%0.57648%0.477SS*.Hα-helixtrans-73.3-29.8172.9-91.2-100.1000113.2L355 Q357 R363L355-Y359 HydrophobicContact CD1-CD2 4Å; L355-Y359 HydrophobicContact CD1-CE2 3.86Å; L355-Y359 HydrophobicContact CG-CD2 4.16Å; L355-Y359 HydrophobicContact CG-CE2 4.27Å; L355-Y359 WeakPolarHBondContact O-CB 3.32Å; L355-Y359 WeakPolarHBondContact O-CD2 3.36Å; L355-Y359 PolarHBondContact O-N 3.21Å; Q357-Y359 PolarHBondContact O-N 3.37Å; Y359-R363 WeakPolarHBondContact O-CG 3.31Å; Y359-R363 PolarHBondContact O-N 3.22Å
360T93.7Very high92.2Very high50 Ų5097.3 Ų97.331%0.30747%0.469SS..Hα-helixtrans-66.9-50.1175.2-61.20000111.2R356 Q357 K362 R363 Q364R356-T360 VanDerWaalsContact O-CB 3.28Å; R356-T360 WeakPolarHBondContact O-CB 3.45Å; R356-T360 PolarHBondContact O-N 3.4Å; R356-T360 PolarHBondContact O-OG1 3.3Å; Q357-T360 WeakPolarHBondContact O-CA 3.44Å; Q357-T360 WeakPolarHBondContact O-CB 3.48Å; Q357-T360 PolarHBondContact O-N 2.88Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 3.04Å; T360-R363 VanDerWaalsContact CA-NH1 3.31Å; T360-R363 WeakPolarHBondContact O-CG 3.37Å; T360-R363 PolarHBondContact O-N 3.09Å; T360-R363 VanDerWaalsContact OG1-CZ 3.27Å; T360-R363 PolarHBondContact OG1-NH1 3.05Å; T360-R363 PolarHBondContact OG1-NH2 3.13Å; T360-Q364 PolarHBondContact O-N 3.25Å; T360-Q364 VanDerWaalsContact O-N 3.09Å
361A92.6Very high92.8Very high69 Ų6996.7 Ų96.757%0.5747%0.472SS*.Hα-helixtrans-58.2-41.5174.300000112.3Q357 P365Q357-A361 PolarHBondContact O-N 2.94Å; A361-P365 WeakPolarHBondContact O-CD 3.42Å
362K94.4Very high93.1Very high152 Ų15293.5 Ų93.566%0.66146%0.463SS*.Hα-helixtrans-66.8-35.7177.5-77.6-178176.9-174.30114.1R358 T360R358-K362 WeakPolarHBondContact O-CG 3.43Å; R358-K362 PolarHBondContact O-N 2.91Å; T360-K362 VanDerWaalsContact C-N 3.31Å; T360-K362 PolarHBondContact O-N 3.04Å
363R94.8Very high93.3Very high117 Ų11797.1 Ų97.144%0.44248%0.476SS..Hα-helixtrans-83.3-25.3-179.175.8178.4179.7-92.2-10.5114Y359 T360 I366 L367Y359-R363 WeakPolarHBondContact O-CG 3.31Å; Y359-R363 PolarHBondContact O-N 3.22Å; T360-R363 VanDerWaalsContact CA-NH1 3.31Å; T360-R363 WeakPolarHBondContact O-CG 3.37Å; T360-R363 PolarHBondContact O-N 3.09Å; T360-R363 VanDerWaalsContact OG1-CZ 3.27Å; T360-R363 PolarHBondContact OG1-NH1 3.05Å; T360-R363 PolarHBondContact OG1-NH2 3.13Å; R363-I366 WeakPolarHBondContact O-CB 3.48Å; R363-I366 PolarHBondContact O-N 2.75Å; R363-L367 HydrophobicContact CG-CD1 3.99Å; R363-L367 PolarHBondContact O-N 3.06Å; R363-L367 VanDerWaalsContact O-N 3.13Å
364Q95.5Very high93.4Very high82 Ų8297.8 Ų97.838%0.38348%0.478SS..Hα-helixtrans-55.8-47.2-170.9-16760.442.100113.8T360 I366 L367 D368T360-Q364 PolarHBondContact O-N 3.25Å; T360-Q364 VanDerWaalsContact O-N 3.09Å; Q364-I366 PolarHBondContact O-N 3.16Å; Q364-I366 VanDerWaalsContact O-N 3.16Å; Q364-L367 WeakPolarHBondContact O-CB 3.28Å; Q364-L367 PolarHBondContact O-N 3.11Å; Q364-L367 VanDerWaalsContact O-N 3.09Å; Q364-D368 PolarHBondContact NE2-OD1 3.14Å; Q364-D368 PolarHBondContact O-N 2.9Å
365P94.4Very high93.5Very high82 Ų82100.4 Ų100.453%0.53248%0.484SS..Hα-helixtrans-62.6-27.4179.3-2334.9000113.9A361 A369A361-P365 WeakPolarHBondContact O-CD 3.42Å; P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.4Å; P365-A369 PolarHBondContact O-N 2.79Å; P365-A369 VanDerWaalsContact O-N 3.11Å
366I96.1Very high93.2Very high108 Ų108105.1 Ų105.155%0.55450%0.495SS*.Hα-helixtrans-73.6-43.7176.9-54.1176.5000109.7R363 Q364 A369 M370R363-I366 WeakPolarHBondContact O-CB 3.48Å; R363-I366 PolarHBondContact O-N 2.75Å; Q364-I366 PolarHBondContact O-N 3.16Å; Q364-I366 VanDerWaalsContact O-N 3.16Å; I366-A369 PolarHBondContact O-N 3.09Å; I366-M370 HydrophobicContact CG2-SD 4.32Å; I366-M370 WeakPolarHBondContact O-CB 3.3Å; I366-M370 VanDerWaalsContact O-CG 3.3Å; I366-M370 WeakPolarHBondContact O-CG 3.35Å; I366-M370 PolarHBondContact O-N 2.68Å
367L94Very high92.5Very high70 Ų70105 Ų10537%0.36650%0.501SS..Hα-helixtrans-62-47.4175.2-65176.6000111.3R363 Q364 A369 M370 D371R363-L367 HydrophobicContact CG-CD1 3.99Å; R363-L367 PolarHBondContact O-N 3.06Å; R363-L367 VanDerWaalsContact O-N 3.13Å; Q364-L367 WeakPolarHBondContact O-CB 3.28Å; Q364-L367 PolarHBondContact O-N 3.11Å; Q364-L367 VanDerWaalsContact O-N 3.09Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 PolarHBondContact O-N 2.92Å; L367-M370 PolarHBondContact O-N 3.37Å; L367-M370 VanDerWaalsContact O-N 3.14Å; L367-D371 PolarHBondContact O-N 3.41Å
368D95.7Very high91.5Very high83 Ų83107 Ų10744%0.44451%0.511SS..Hα-helixtrans-58.4-43.3177.6-61.7-28.7000111.5Q364 D371 A372Q364-D368 PolarHBondContact NE2-OD1 3.14Å; Q364-D368 PolarHBondContact O-N 2.9Å; D368-D371 PolarHBondContact O-N 2.89Å; D368-A372 VanDerWaalsContact O-CB 3.27Å; D368-A372 WeakPolarHBondContact O-CB 3.4Å; D368-A372 PolarHBondContact O-N 2.9Å
369A94.6Very high90.1Very high50 Ų50107.1 Ų107.141%0.41352%0.521SS..Hα-helixtrans-67.5-37.3176.300000112.9P365 I366 L367 K373P365-A369 VanDerWaalsContact O-CB 3.28Å; P365-A369 WeakPolarHBondContact O-CB 3.4Å; P365-A369 PolarHBondContact O-N 2.79Å; P365-A369 VanDerWaalsContact O-N 3.11Å; I366-A369 PolarHBondContact O-N 3.09Å; L367-A369 VanDerWaalsContact C-N 3.31Å; L367-A369 PolarHBondContact O-N 2.92Å; A369-K373 WeakPolarHBondContact O-CG 3.37Å; A369-K373 PolarHBondContact O-N 3.13Å; A369-K373 VanDerWaalsContact O-N 3.09Å
370M94.1Very high88.2Confident97 Ų97111.7 Ų111.748%0.47855%0.545SS..Hα-helixtrans-65.1-46.4174-75.9177.766.600111.4I366 L367 K373 K374I366-M370 HydrophobicContact CG2-SD 4.32Å; I366-M370 WeakPolarHBondContact O-CB 3.3Å; I366-M370 VanDerWaalsContact O-CG 3.3Å; I366-M370 WeakPolarHBondContact O-CG 3.35Å; I366-M370 PolarHBondContact O-N 2.68Å; L367-M370 PolarHBondContact O-N 3.37Å; L367-M370 VanDerWaalsContact O-N 3.14Å; M370-K373 PolarHBondContact O-N 3.09Å; M370-K373 VanDerWaalsContact O-N 3.13Å; M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 2.89Å
371D95.1Very high88Confident71 Ų71114.8 Ų114.838%0.3856%0.557SS.*Hα-helixtrans-75.9-24.6-178.3-73-11.1000112.8L367 D368 K374 R375L367-D371 PolarHBondContact O-N 3.41Å; D368-D371 PolarHBondContact O-N 2.89Å; D371-K374 WeakPolarHBondContact OD1-CD 3.33Å; D371-K374 WeakPolarHBondContact OD1-CE 3.44Å; D371-K374 IonicContact OD1-NZ 2.93Å; D371-K374 PolarHBondContact OD1-NZ 3.24Å; D371-R375 WeakPolarHBondContact O-CB 3.39Å; D371-R375 WeakPolarHBondContact O-CG 3.27Å; D371-R375 PolarHBondContact O-N 3.49Å; D371-R375 VanDerWaalsContact O-N 3.17Å; D371-R375 PolarHBondContact O-NE 3.31Å
372A93.4Very high87.7Confident37 Ų37117.2 Ų117.231%0.30656%0.556SS.*Hα-helixtrans-65.4-40164.400000112D368 R376D368-A372 VanDerWaalsContact O-CB 3.27Å; D368-A372 WeakPolarHBondContact O-CB 3.4Å; D368-A372 PolarHBondContact O-N 2.9Å; A372-R376 WeakPolarHBondContact O-CG 3.47Å; A372-R376 PolarHBondContact O-N 3.17Å
373K94Very high87.3Confident148 Ų148115.3 Ų115.364%0.64355%0.55SS**Hα-helixtrans-69.1-45.9176.1-75.6178.3178.6-176.80112.4A369 M370 R375 R376 Q377A369-K373 WeakPolarHBondContact O-CG 3.37Å; A369-K373 PolarHBondContact O-N 3.13Å; A369-K373 VanDerWaalsContact O-N 3.09Å; M370-K373 PolarHBondContact O-N 3.09Å; M370-K373 VanDerWaalsContact O-N 3.13Å; K373-R375 PolarHBondContact O-N 2.88Å; K373-R376 PolarHBondContact O-N 2.99Å; K373-R376 VanDerWaalsContact O-N 3.15Å; K373-Q377 PolarHBondContact O-N 3.15Å
374K92.3Very high86.9Confident102 Ų102115.2 Ų115.244%0.44356%0.557SS.*Hα-helixtrans-56.2-48175.2-69176.1-162.7157.60112M370 D371 R376 Q377 Q378M370-K374 WeakPolarHBondContact O-CG 3.49Å; M370-K374 PolarHBondContact O-N 2.89Å; D371-K374 WeakPolarHBondContact OD1-CD 3.33Å; D371-K374 WeakPolarHBondContact OD1-CE 3.44Å; D371-K374 IonicContact OD1-NZ 2.93Å; D371-K374 PolarHBondContact OD1-NZ 3.24Å; K374-R376 VanDerWaalsContact C-N 3.26Å; K374-R376 PolarHBondContact O-N 3.32Å; K374-Q377 CarbonylContact O-C 3.48Å; K374-Q377 PolarHBondContact O-N 3.44Å; K374-Q378 PolarHBondContact O-N 3.28Å
375R89.1Confident86.4Confident154 Ų154117.3 Ų117.358%0.58157%0.568SS**Hα-helixtrans-62.1-30.7178.5-77.8178.2-72.8172.7-6.6113.2D371 K373 N379D371-R375 WeakPolarHBondContact O-CB 3.39Å; D371-R375 WeakPolarHBondContact O-CG 3.27Å; D371-R375 PolarHBondContact O-N 3.49Å; D371-R375 VanDerWaalsContact O-N 3.17Å; D371-R375 PolarHBondContact O-NE 3.31Å; K373-R375 PolarHBondContact O-N 2.88Å; R375-N379 VanDerWaalsContact O-CG 3.31Å; R375-N379 PolarHBondContact O-ND2 3.4Å
376R84.4Confident85.8Confident186 Ų186119.6 Ų119.670%0.70257%0.57SS**Hα-helixtrans-71.8-41.2171.1-70.3175.6-176.4-171.81.2111.5A372 K373 K374 Q378 N379 F380A372-R376 WeakPolarHBondContact O-CG 3.47Å; A372-R376 PolarHBondContact O-N 3.17Å; K373-R376 PolarHBondContact O-N 2.99Å; K373-R376 VanDerWaalsContact O-N 3.15Å; K374-R376 VanDerWaalsContact C-N 3.26Å; K374-R376 PolarHBondContact O-N 3.32Å; R376-Q378 VanDerWaalsContact C-N 3.31Å; R376-Q378 PolarHBondContact O-N 2.99Å; R376-N379 PolarHBondContact O-N 3.05Å; R376-F380 WeakPolarHBondContact O-CD2 3.41Å
377Q77.5Confident85.1Confident150 Ų150120.4 Ų120.470%0.70157%0.571SS**Hα-helixtrans-71.6-16.3179.3-72.3177-33.300115K373 K374K373-Q377 PolarHBondContact O-N 3.15Å; K374-Q377 CarbonylContact O-C 3.48Å; K374-Q377 PolarHBondContact O-N 3.44Å
378Q70.5Confident84.4Confident156 Ų156124.3 Ų124.373%0.72959%0.587SS**THydrogen-bonded Turntrans-89.4-5.8172.3-73.4-177.3-36.600113.8K374 R376K374-Q378 PolarHBondContact O-N 3.28Å; R376-Q378 VanDerWaalsContact C-N 3.31Å; R376-Q378 PolarHBondContact O-N 2.99Å
379N62Low83.5Confident138 Ų138127.8 Ų127.874%0.73860%0.599SS**  trans-108.517.7-178.5-68.1-7.4000112.5R375 R376R375-N379 VanDerWaalsContact O-CG 3.31Å; R375-N379 PolarHBondContact O-ND2 3.4Å; R376-N379 PolarHBondContact O-N 3.05Å
380F54.8Low82.5Confident244 Ų244134.8 Ų134.8100%1.0762%0.616SS**  trans-135.60173-78.6-79.6000109.1R376R376-F380 WeakPolarHBondContact O-CD2 3.41Å

Retrieved 380 of 380 residues in 1856.5 ms (Link to these results)

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