A0A3Q0KKX8_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KKX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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
1M68.8Low91.8Very high141 Ų14181.1 Ų81.170%0.69536%0.364SS*.  0133.10-115.591.4163.500106.5E85 R86M1-E85 CarbonylContact C-O 3.52Å; M1-E85 WeakPolarHBondContact CA-O 3.04Å; M1-R86 HydrophobicContact CE-CG 3.74Å; M1-R86 VanDerWaalsContact CE-NE 3.33Å; M1-R86 HydrophobicContact CG-CG 4.04Å; M1-R86 HydrophobicContact SD-CG 3.25Å; M1-R86 WeakPolarHBondContact SD-CG 3.23Å; M1-R86 PolarHBondContact SD-NE 3.15Å
2T85.3Confident91.8Very high46 Ų4686 Ų8628%0.28240%0.396SS..EExtended strand (participates in β ladder)trans-116.5137169.942.80000108.8V4 Y84 E85 H87T2-V4 PolarHBondContact O-N 3.13Å; T2-Y84 CarbonylContact O-C 3.5Å; T2-E85 PolarHBondContact N-O 2.86Å; T2-E85 PolarHBondContact O-N 2.86Å; T2-H87 WeakPolarHBondContact CG2-NE2 3.46Å; T2-H87 PolarHBondContact OG1-CE1 3.46Å
3Y90.3Very high91.5Very high93 Ų9379.8 Ų79.837%0.36537%0.371SS..EExtended strand (participates in β ladder)trans-78120.3169.7-166-106.5000108.1H49 G82 Y84Y3-H49 WeakPolarHBondContact OH-CB 3.24Å; Y3-H49 PolarHBondContact OH-ND1 2.83Å; Y3-G82 VanDerWaalsContact CZ-CA 3.47Å; Y3-G82 WeakPolarHBondContact OH-CA 3.08Å; Y3-Y84 AromaticContact CD2-CD1 3.72Å; Y3-Y84 HydrophobicContact CD2-CD1 3.72Å; Y3-Y84 AromaticContact CD2-CD2 3.89Å; Y3-Y84 HydrophobicContact CD2-CD2 3.89Å; Y3-Y84 AromaticContact CD2-CE1 3.54Å; Y3-Y84 HydrophobicContact CD2-CE1 3.54Å; Y3-Y84 AromaticContact CD2-CE2 3.72Å; Y3-Y84 HydrophobicContact CD2-CE2 3.72Å; Y3-Y84 AromaticContact CD2-CG 3.89Å; Y3-Y84 HydrophobicContact CD2-CG 3.89Å; Y3-Y84 AromaticContact CD2-CZ 3.54Å; Y3-Y84 HydrophobicContact CE2-CD2 4.15Å; Y3-Y84 HydrophobicContact CE2-CE1 4.4Å; Y3-Y84 AromaticContact CE2-CE2 3.81Å; Y3-Y84 HydrophobicContact CE2-CE2 3.81Å; Y3-Y84 AromaticContact CE2-CZ 3.96Å; Y3-Y84 HydrophobicContact CG-CD1 4.42Å; Y3-Y84 HydrophobicContact CG-CE1 4.18Å
4V93Very high91.4Very high46 Ų4679.5 Ų79.528%0.27938%0.379SS..EExtended strand (participates in β ladder)trans-118.8128.5-176.2-175.30000108.3T2 K6 R83 E85T2-V4 PolarHBondContact O-N 3.13Å; V4-K6 HydrophobicContact CG1-CG 4.45Å; V4-R83 PolarHBondContact N-O 2.83Å; V4-R83 PolarHBondContact O-N 3.33Å; V4-E85 HydrophobicContact CB-CG 4.22Å; V4-E85 HydrophobicContact CG2-CB 4.08Å; V4-E85 HydrophobicContact CG2-CG 4.04Å
5E94.9Very high91.6Very high124 Ų12480.8 Ų80.858%0.57940%0.397SS*.EExtended strand (participates in β ladder)trans-81.5136.8170.7-176.1179.7143.800110.2L51 I80 V81E5-L51 HydrophobicContact CG-CD1 4.03Å; E5-I80 HydrophobicContact CG-CG2 3.42Å; E5-I80 VanDerWaalsContact CG-CG2 3.42Å; E5-I80 WeakPolarHBondContact OE1-CG2 3.4Å; E5-V81 CarbonylContact C-O 3.42Å; E5-V81 WeakPolarHBondContact CA-O 3.05Å
6K95.3Very high91.9Very high58 Ų5876.5 Ų76.525%0.25238%0.375SS..EExtended strand (participates in β ladder)trans-132.2125.6175.7-64.5-162.2-178.9-175.50110.7V4 L8 I80 V81 E85V4-K6 HydrophobicContact CG1-CG 4.45Å; K6-L8 HydrophobicContact CB-CD2 4.12Å; K6-L8 HydrophobicContact CB-CG 4.5Å; K6-I80 WeakPolarHBondContact O-CA 3.3Å; K6-V81 HydrophobicContact CB-CG2 4.16Å; K6-V81 PolarHBondContact N-O 3.08Å; K6-V81 PolarHBondContact O-N 2.91Å; K6-E85 WeakPolarHBondContact CE-OE1 3.3Å; K6-E85 IonicContact NZ-OE1 3.86Å; K6-E85 PolarHBondContact NZ-OE1 3.14Å; K6-E85 IonicContact NZ-OE2 2.63Å
7R97.1Very high92.1Very high148 Ų14872.6 Ų72.656%0.55836%0.359SS*.EExtended strand (participates in β ladder)trans-87.9118.6169.7-175.7178.3-174.7-109.6-0.4109.6E78 I80R7-E78 HydrophobicContact CG-CG 4.49Å; R7-E78 IonicContact CZ-OE1 3.71Å; R7-E78 IonicContact CZ-OE2 3.08Å; R7-E78 IonicContact NE-OE1 3.2Å; R7-E78 PolarHBondContact NE-OE1 2.86Å; R7-E78 IonicContact NH2-OE1 3.79Å; R7-E78 PolarHBondContact NH2-OE1 3.29Å; R7-E78 IonicContact NH2-OE2 2.76Å; R7-E78 PolarHBondContact NH2-OE2 3.06Å; R7-I80 HydrophobicContact CB-CG1 4.46Å; R7-I80 HydrophobicContact CG-CG1 4.31Å
8L97.1Very high92.3Very high16 Ų1670.2 Ų70.28%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-117.7139.4-177.9-50.1178.5000109.6K6 L10 A42 L44 I79 V81K6-L8 HydrophobicContact CB-CD2 4.12Å; K6-L8 HydrophobicContact CB-CG 4.5Å; L8-L10 HydrophobicContact CB-CD1 4.35Å; L8-A42 HydrophobicContact CB-CB 4.44Å; L8-A42 WeakPolarHBondContact CD2-O 3.37Å; L8-L44 HydrophobicContact CD1-CB 4Å; L8-L44 HydrophobicContact CD1-CD1 3.61Å; L8-L44 HydrophobicContact CD1-CG 4.44Å; L8-I79 HydrophobicContact CB-CG2 3.87Å; L8-I79 PolarHBondContact N-O 3.23Å; L8-I79 PolarHBondContact O-N 2.68Å; L8-V81 HydrophobicContact CD1-CG2 3.76Å; L8-V81 HydrophobicContact CG-CG2 4.24Å
9I96.6Very high92.6Very high62 Ų6276.1 Ų76.132%0.31836%0.364SS..EExtended strand (participates in β ladder)trans-119.8106.6177.9-57.6174.5000107.8R11I9-R11 HydrophobicContact CG2-CG 4.21Å
10L96.4Very high92.7Very high0 Ų073.6 Ų73.60%035%0.352CS..EExtended strand (participates in β ladder)trans-82.7131.8174.6-70.868.6000108.3L8 W16 F18 P38 S39 A42 T76 L77 I79L8-L10 HydrophobicContact CB-CD1 4.35Å; L10-W16 HydrophobicContact CB-CE3 3.73Å; L10-W16 HydrophobicContact CB-CZ3 3.85Å; L10-W16 HydrophobicContact CD2-CB 4.15Å; L10-W16 HydrophobicContact CD2-CE3 4.18Å; L10-F18 HydrophobicContact CD2-CD1 4.28Å; L10-F18 HydrophobicContact CD2-CE1 4.05Å; L10-P38 HydrophobicContact CB-CB 4.22Å; L10-S39 WeakPolarHBondContact CD2-OG 3.36Å; L10-A42 HydrophobicContact CD1-CB 3.75Å; L10-A42 HydrophobicContact CG-CB 3.81Å; L10-T76 VanDerWaalsContact O-CA 3.29Å; L10-T76 WeakPolarHBondContact O-CA 3.48Å; L10-L77 HydrophobicContact CB-CB 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.35Å; L10-L77 PolarHBondContact N-O 3.48Å; L10-L77 PolarHBondContact O-N 3.08Å; L10-I79 HydrophobicContact CD1-CG2 3.71Å
11R95Very high92.8Very high158 Ų15874.6 Ų74.660%0.59635%0.353SS*.EExtended strand (participates in β ladder)trans-120.5166.2-176.1-59.8-179.5-179.1-122.30.4109.9I9 P38I9-R11 HydrophobicContact CG2-CG 4.21Å; R11-P38 VanDerWaalsContact O-CB 3.23Å; R11-P38 WeakPolarHBondContact O-CB 3.29Å; R11-P38 WeakPolarHBondContact O-CG 3.37Å
12N91.3Very high94Very high140 Ų14072.9 Ų72.975%0.74934%0.344SS*.SBendtrans80.610.4179.5-42.1-39.5000115.2Y75N12-Y75 PolarHBondContact N-O 3.02Å
13G88.7Confident94.3Very high6 Ų673.4 Ų73.46%0.06235%0.345CS..  trans70.7180173.400000115.7W16 S74 Y75G13-W16 VanDerWaalsContact CA-CH2 3.44Å; G13-S74 WeakPolarHBondContact CA-O 3.41Å; G13-Y75 PolarHBondContact N-O 3.07Å
14P90.5Very high94.1Very high75 Ų7579.1 Ų79.149%0.48737%0.372SS..SBendtrans-70.4153.5176.828.3-32.2000112.1S74P14-S74 WeakPolarHBondContact CD-O 3.22Å
15P93.2Very high93.9Very high99 Ų9985.4 Ų85.464%0.64340%0.4SS*.  cis-75.2123.82.730-33.7000111.6G17P15-G17 PolarHBondContact O-N 3.03Å; P15-G17 VanDerWaalsContact O-N 3.12Å
16W96.2Very high93.4Very high12 Ų1284.3 Ų84.35%0.04540%0.395CS..  trans-61-28.1-177.6-60.5116.9000112.8L10 G13 F18 P38 S39 I70 A73 L77L10-W16 HydrophobicContact CB-CE3 3.73Å; L10-W16 HydrophobicContact CB-CZ3 3.85Å; L10-W16 HydrophobicContact CD2-CB 4.15Å; L10-W16 HydrophobicContact CD2-CE3 4.18Å; G13-W16 VanDerWaalsContact CA-CH2 3.44Å; W16-F18 HydrophobicContact CB-CD1 3.68Å; W16-F18 HydrophobicContact CB-CE1 3.51Å; W16-F18 HydrophobicContact CG-CE1 4.2Å; W16-P38 HydrophobicContact CE3-CB 4.1Å; W16-S39 WeakPolarHBondContact O-CB 3.32Å; W16-S39 PolarHBondContact O-N 2.95Å; W16-S39 VanDerWaalsContact O-N 3.16Å; W16-S39 PolarHBondContact O-OG 3Å; W16-I70 VanDerWaalsContact CD1-CG2 3.43Å; W16-I70 HydrophobicContact CG-CG2 4.5Å; W16-I70 PolarHBondContact NE1-O 3.27Å; W16-A73 HydrophobicContact CZ2-CB 3.76Å; W16-A73 VanDerWaalsContact CZ2-O 3.31Å; W16-A73 WeakPolarHBondContact CZ2-O 3.42Å; W16-L77 HydrophobicContact CD2-CB 4Å; W16-L77 HydrophobicContact CD2-CD2 4.04Å; W16-L77 HydrophobicContact CE3-CB 4.12Å; W16-L77 HydrophobicContact CG-CD2 3.98Å; W16-L77 HydrophobicContact CH2-CB 3.75Å; W16-L77 HydrophobicContact CZ2-CB 3.61Å; W16-L77 HydrophobicContact CZ3-CB 4Å
17G95.6Very high93.3Very high10 Ų1082.3 Ų82.310%0.10339%0.391CS..  trans85.230.1169.700000114.9P15 R34 S37P15-G17 PolarHBondContact O-N 3.03Å; P15-G17 VanDerWaalsContact O-N 3.12Å; G17-R34 WeakPolarHBondContact O-CB 3.41Å; G17-R34 PolarHBondContact O-N 3.22Å; G17-S37 PolarHBondContact O-OG 3.15Å
18F96.8Very high93.3Very high30 Ų3075.4 Ų75.413%0.13237%0.365CS..EExtended strand (participates in β ladder)trans-130.2162.217068.5-74.8000111L10 W16 L20 V30 K32 I33 S39 L44 I70 L77L10-F18 HydrophobicContact CD2-CD1 4.28Å; L10-F18 HydrophobicContact CD2-CE1 4.05Å; W16-F18 HydrophobicContact CB-CD1 3.68Å; W16-F18 HydrophobicContact CB-CE1 3.51Å; W16-F18 HydrophobicContact CG-CE1 4.2Å; F18-L20 HydrophobicContact CD2-CD2 4.13Å; F18-L20 HydrophobicContact CD2-CG 4.01Å; F18-L20 HydrophobicContact CE2-CD1 3.88Å; F18-L20 HydrophobicContact CE2-CD2 3.83Å; F18-L20 HydrophobicContact CE2-CG 3.64Å; F18-V30 HydrophobicContact CB-CG1 4.33Å; F18-K32 CarbonylContact C-O 3.43Å; F18-K32 VanDerWaalsContact CA-O 3.23Å; F18-K32 WeakPolarHBondContact CA-O 3.22Å; F18-I33 HydrophobicContact CB-CG1 4.2Å; F18-S39 WeakPolarHBondContact CD1-OG 3.07Å; F18-L44 HydrophobicContact CB-CD2 3.95Å; F18-L44 HydrophobicContact CD1-CD2 4.26Å; F18-L44 HydrophobicContact CD2-CD2 4.04Å; F18-L44 HydrophobicContact CG-CD2 3.84Å; F18-I70 HydrophobicContact CE2-CD1 4.2Å; F18-I70 HydrophobicContact CZ-CD1 3.85Å; F18-I70 HydrophobicContact CZ-CG2 4.46Å; F18-L77 HydrophobicContact CE1-CD2 3.88Å; F18-L77 HydrophobicContact CZ-CD2 3.96Å
19R96.6Very high93.2Very high182 Ų18274.7 Ų74.769%0.68736%0.362SS*.EExtended strand (participates in β ladder)trans-116.7140.7172.2-66.9-173.1177.1-158.4-2.2109.4A31 K32R19-A31 HydrophobicContact CB-CB 4.26Å; R19-A31 PolarHBondContact O-N 3.1Å; R19-K32 HydrophobicContact CB-CB 4.44Å; R19-K32 PolarHBondContact N-O 2.99Å
20L95.5Very high93.2Very high25 Ų2571.8 Ų71.813%0.13135%0.347CS..EExtended strand (participates in β ladder)trans-105.2148.9172.8-70.3170.7000110.2F18 I29 V30 V50 H63 I70F18-L20 HydrophobicContact CD2-CD2 4.13Å; F18-L20 HydrophobicContact CD2-CG 4.01Å; F18-L20 HydrophobicContact CE2-CD1 3.88Å; F18-L20 HydrophobicContact CE2-CD2 3.83Å; F18-L20 HydrophobicContact CE2-CG 3.64Å; L20-I29 WeakPolarHBondContact CA-O 3.3Å; L20-V30 HydrophobicContact CD2-CG2 4.21Å; L20-V50 HydrophobicContact CD2-CG2 3.7Å; L20-H63 PolarHBondContact O-CE1 2.9Å; L20-H63 VanDerWaalsContact O-CE1 3.26Å; L20-I70 HydrophobicContact CD1-CD1 3.36Å
21Y95Very high93.2Very high96 Ų9674 Ų7438%0.37637%0.365SS..EExtended strand (participates in β ladder)trans-132160.4160.973.7-81.4000109D23 I29 A31Y21-D23 HydrophobicContact CE2-CB 4.1Å; Y21-I29 HydrophobicContact CD1-CB 4.07Å; Y21-I29 HydrophobicContact CD1-CG2 4.4Å; Y21-I29 WeakPolarHBondContact CD1-O 3.11Å; Y21-I29 HydrophobicContact CE1-CB 3.52Å; Y21-I29 HydrophobicContact CE1-CG2 3.49Å; Y21-I29 VanDerWaalsContact CE1-CG2 3.49Å; Y21-I29 HydrophobicContact CE2-CB 4.19Å; Y21-I29 HydrophobicContact CE2-CD1 4.08Å; Y21-I29 PolarHBondContact N-O 2.84Å; Y21-I29 PolarHBondContact O-N 3.11Å; Y21-I29 WeakPolarHBondContact OH-CD1 3.49Å; Y21-I29 WeakPolarHBondContact OH-CG2 3.43Å; Y21-A31 HydrophobicContact CD1-CB 3.44Å; Y21-A31 VanDerWaalsContact CD1-CB 3.44Å; Y21-A31 HydrophobicContact CE1-CB 4.06Å; Y21-A31 HydrophobicContact CG-CB 4.4Å
22E94Very high93.3Very high105 Ų10572.6 Ų72.649%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-108.6123.3178.4-174.4175174.400108.2L28 H63E22-L28 HydrophobicContact CB-CD2 4.22Å; E22-L28 HydrophobicContact CG-CD2 4.45Å; E22-H63 HydrophobicContact CB-CB 4.17Å; E22-H63 WeakPolarHBondContact OE2-CB 3.46Å; E22-H63 PolarHBondContact OE2-N 3.48Å
23D91.7Very high93.6Very high56 Ų5667.1 Ų67.130%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-101.8135.1171.6-167.3-68.6000109.3Y21 M25 E26 G27 I29Y21-D23 HydrophobicContact CE2-CB 4.1Å; D23-M25 PolarHBondContact O-N 3.48Å; D23-M25 PolarHBondContact OD1-N 3.49Å; D23-E26 HydrophobicContact CB-CB 4.2Å; D23-E26 PolarHBondContact OD1-N 3.1Å; D23-G27 PolarHBondContact N-O 3.05Å; D23-G27 WeakPolarHBondContact O-CA 3.32Å; D23-G27 PolarHBondContact O-N 2.81Å; D23-I29 HydrophobicContact CB-CD1 3.96Å
24F86Confident94Very high214 Ų21475 Ų7594%0.93936%0.362SS*.THydrogen-bonded Turntrans-62.6-23.7-177.7-68.6-75.7000114
25M87.7Confident94.2Very high178 Ų17878.5 Ų78.588%0.87737%0.371SS*.THydrogen-bonded Turntrans-104.3-34.6-178-64.2-113.9108.800112.7D23D23-M25 PolarHBondContact O-N 3.48Å; D23-M25 PolarHBondContact OD1-N 3.49Å
26E85.8Confident94.3Very high100 Ų10083.7 Ų83.747%0.46738%0.378SS..THydrogen-bonded Turntrans-107.8-7.4-169.9-68-176.2163.900113.8D23 I29 H49D23-E26 HydrophobicContact CB-CB 4.2Å; D23-E26 PolarHBondContact OD1-N 3.1Å; E26-I29 HydrophobicContact CB-CD1 3.77Å; E26-I29 HydrophobicContact CB-CG1 4.49Å; E26-I29 VanDerWaalsContact OE2-CD1 3.3Å; E26-I29 WeakPolarHBondContact OE2-CD1 3.02Å; E26-H49 IonicContact OE2-CE1 2.86Å; E26-H49 IonicContact OE2-NE2 3.65Å; E26-H49 PolarHBondContact OE2-NE2 2.79Å
27G92.3Very high94.2Very high17 Ų1783.5 Ų83.518%0.17538%0.378CS..EExtended strand (participates in β ladder)trans81.8-143179.400000112.8D23D23-G27 PolarHBondContact N-O 3.05Å; D23-G27 WeakPolarHBondContact O-CA 3.32Å; D23-G27 PolarHBondContact O-N 2.81Å
28L96.4Very high94.3Very high2 Ų283.8 Ų83.81%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-81.3125-177.5-67166.3000111.5E22 V50 A58 M61 H63 A66E22-L28 HydrophobicContact CB-CD2 4.22Å; E22-L28 HydrophobicContact CG-CD2 4.45Å; L28-V50 HydrophobicContact CB-CB 4Å; L28-V50 HydrophobicContact CB-CG2 4.41Å; L28-V50 PolarHBondContact O-N 2.86Å; L28-A58 HydrophobicContact CD1-CB 4.3Å; L28-M61 HydrophobicContact CD1-CB 4.16Å; L28-M61 HydrophobicContact CD1-CE 4.13Å; L28-M61 HydrophobicContact CD1-CG 4.45Å; L28-M61 WeakPolarHBondContact CD1-O 3.28Å; L28-H63 HydrophobicContact CD2-CB 4.24Å; L28-A66 HydrophobicContact CD1-CB 3.48Å; L28-A66 VanDerWaalsContact CD1-CB 3.48Å; L28-A66 HydrophobicContact CD2-CB 4.27Å
29I96.4Very high94.3Very high2 Ų282.4 Ų82.41%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-126.7143.9-178.2-57.4172.2000110.9L20 Y21 D23 E26 A31L20-I29 WeakPolarHBondContact CA-O 3.3Å; Y21-I29 HydrophobicContact CD1-CB 4.07Å; Y21-I29 HydrophobicContact CD1-CG2 4.4Å; Y21-I29 WeakPolarHBondContact CD1-O 3.11Å; Y21-I29 HydrophobicContact CE1-CB 3.52Å; Y21-I29 HydrophobicContact CE1-CG2 3.49Å; Y21-I29 VanDerWaalsContact CE1-CG2 3.49Å; Y21-I29 HydrophobicContact CE2-CB 4.19Å; Y21-I29 HydrophobicContact CE2-CD1 4.08Å; Y21-I29 PolarHBondContact N-O 2.84Å; Y21-I29 PolarHBondContact O-N 3.11Å; Y21-I29 WeakPolarHBondContact OH-CD1 3.49Å; Y21-I29 WeakPolarHBondContact OH-CG2 3.43Å; D23-I29 HydrophobicContact CB-CD1 3.96Å; E26-I29 HydrophobicContact CB-CD1 3.77Å; E26-I29 HydrophobicContact CB-CG1 4.49Å; E26-I29 VanDerWaalsContact OE2-CD1 3.3Å; E26-I29 WeakPolarHBondContact OE2-CD1 3.02Å; I29-A31 PolarHBondContact O-N 3.42Å
30V96.9Very high94.2Very high1 Ų177.3 Ų77.31%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-73.6109.3173.5-176.70000110.5F18 L20 I33 L44 G47 D48 V50F18-V30 HydrophobicContact CB-CG1 4.33Å; L20-V30 HydrophobicContact CD2-CG2 4.21Å; V30-I33 HydrophobicContact CG1-CD1 3.97Å; V30-I33 HydrophobicContact CG1-CG1 3.73Å; V30-L44 HydrophobicContact CG1-CD2 4.09Å; V30-L44 HydrophobicContact CG1-CG 4.38Å; V30-L44 HydrophobicContact CG2-CD1 4.07Å; V30-L44 HydrophobicContact CG2-CD2 4Å; V30-L44 HydrophobicContact CG2-CG 4.12Å; V30-G47 PolarHBondContact O-N 3.02Å; V30-D48 HydrophobicContact CB-CB 4.42Å; V30-D48 HydrophobicContact CG2-CB 4.08Å; V30-D48 PolarHBondContact N-O 2.94Å; V30-V50 HydrophobicContact CG2-CG2 4.19Å
31A96.5Very high94.3Very high45 Ų4581.7 Ų81.737%0.37238%0.376SS..EExtended strand (participates in β ladder)trans-77.7-45.7-178.600000113.3R19 Y21 I29R19-A31 HydrophobicContact CB-CB 4.26Å; R19-A31 PolarHBondContact O-N 3.1Å; Y21-A31 HydrophobicContact CD1-CB 3.44Å; Y21-A31 VanDerWaalsContact CD1-CB 3.44Å; Y21-A31 HydrophobicContact CE1-CB 4.06Å; Y21-A31 HydrophobicContact CG-CB 4.4Å; I29-A31 PolarHBondContact O-N 3.42Å
32K96.7Very high94.3Very high130 Ų13078.3 Ų78.357%0.56537%0.368SS*.EExtended strand (participates in β ladder)trans-153.4143.3-172.4-168.3163.6-171.9165.80111.3F18 R19 E46F18-K32 CarbonylContact C-O 3.43Å; F18-K32 VanDerWaalsContact CA-O 3.23Å; F18-K32 WeakPolarHBondContact CA-O 3.22Å; R19-K32 HydrophobicContact CB-CB 4.44Å; R19-K32 PolarHBondContact N-O 2.99Å; K32-E46 WeakPolarHBondContact CA-OE1 3.29Å; K32-E46 WeakPolarHBondContact CG-OE1 3.38Å
33I97.3Very high94.4Very high24 Ų2474.8 Ų74.812%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-120.1135.4176.2-59.1177.8000109.9F18 V30 E40 L44 R45 E46F18-I33 HydrophobicContact CB-CG1 4.2Å; V30-I33 HydrophobicContact CG1-CD1 3.97Å; V30-I33 HydrophobicContact CG1-CG1 3.73Å; I33-E40 HydrophobicContact CG2-CB 3.98Å; I33-L44 HydrophobicContact CD1-CB 3.88Å; I33-L44 HydrophobicContact CD1-CD2 4.13Å; I33-L44 HydrophobicContact CD1-CG 3.88Å; I33-L44 WeakPolarHBondContact CD1-O 3.49Å; I33-R45 VanDerWaalsContact CD1-C 3.45Å; I33-R45 VanDerWaalsContact CD1-CA 3.46Å; I33-E46 HydrophobicContact CB-CG 4.45Å; I33-E46 HydrophobicContact CD1-CG 4.45Å; I33-E46 HydrophobicContact CG1-CG 4.12Å; I33-E46 PolarHBondContact N-OE1 2.88Å
34R96.5Very high94.6Very high173 Ų17372.5 Ų72.565%0.65335%0.347SS*.  trans-79.6135.8174.2-66.4-17777.4171.32.9109.2G17 S37G17-R34 WeakPolarHBondContact O-CB 3.41Å; G17-R34 PolarHBondContact O-N 3.22Å; R34-S37 VanDerWaalsContact O-CB 3.24Å; R34-S37 WeakPolarHBondContact O-CB 3.23Å; R34-S37 PolarHBondContact O-N 3.08Å; R34-S37 PolarHBondContact O-OG 2.97Å
35H95.1Very high95.1Very high148 Ų14869.2 Ų69.269%0.68533%0.329SS*.THydrogen-bonded Turntrans-63.3143.1174.4-147.854.7000110.9S37 E40H35-S37 PolarHBondContact O-N 3.37Å; H35-E40 WeakPolarHBondContact CA-OE2 3.35Å; H35-E40 IonicContact CE1-OE1 3.39Å; H35-E40 PolarHBondContact CE1-OE1 3.44Å; H35-E40 VanDerWaalsContact CE1-OE1 3.3Å; H35-E40 IonicContact CE1-OE2 2.73Å; H35-E40 IonicContact CG-OE1 3.14Å; H35-E40 IonicContact CG-OE2 2.91Å; H35-E40 VanDerWaalsContact ND1-CD 3.34Å; H35-E40 IonicContact ND1-OE1 3.1Å; H35-E40 PolarHBondContact ND1-OE1 2.93Å; H35-E40 IonicContact ND1-OE2 3.97Å; H35-E40 PolarHBondContact ND1-OE2 3.47Å
36R94.4Very high95.4Very high207 Ų20766.2 Ų66.278%0.78131%0.313SS*.THydrogen-bonded Turntrans58.922.5-175.1-55-179.7-179.9176.8-0.7115E40 Q41R36-E40 PolarHBondContact N-OE2 3.08Å; R36-Q41 PolarHBondContact O-NE2 3.45Å
37S95.9Very high95.9Very high8 Ų863.4 Ų63.46%0.05631%0.31CS..SBendtrans-89.6158.8176.467.80000113.2G17 R34 H35 S39 E40 Q41G17-S37 PolarHBondContact O-OG 3.15Å; R34-S37 VanDerWaalsContact O-CB 3.24Å; R34-S37 WeakPolarHBondContact O-CB 3.23Å; R34-S37 PolarHBondContact O-N 3.08Å; R34-S37 PolarHBondContact O-OG 2.97Å; H35-S37 PolarHBondContact O-N 3.37Å; S37-S39 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 PolarHBondContact OG-N 2.86Å; S37-Q41 PolarHBondContact O-N 2.86Å; S37-Q41 PolarHBondContact O-OE1 3.12Å
38P96.2Very high96.1Very high17 Ų1762.8 Ų62.811%0.1130%0.303CS..Hα-helixtrans-46.6-35.9170.8-34.739.5000114.5L10 R11 W16 A42L10-P38 HydrophobicContact CB-CB 4.22Å; R11-P38 VanDerWaalsContact O-CB 3.23Å; R11-P38 WeakPolarHBondContact O-CB 3.29Å; R11-P38 WeakPolarHBondContact O-CG 3.37Å; W16-P38 HydrophobicContact CE3-CB 4.1Å; P38-A42 VanDerWaalsContact O-CB 3.32Å; P38-A42 WeakPolarHBondContact O-CB 3.23Å; P38-A42 PolarHBondContact O-N 3.47Å
39S96.7Very high96.1Very high0 Ų063.9 Ų63.90%031%0.308CS..Hα-helixtrans-64-47177.2-59.10000113.1L10 W16 F18 S37 A42 G43 L44L10-S39 WeakPolarHBondContact CD2-OG 3.36Å; W16-S39 WeakPolarHBondContact O-CB 3.32Å; W16-S39 PolarHBondContact O-N 2.95Å; W16-S39 VanDerWaalsContact O-N 3.16Å; W16-S39 PolarHBondContact O-OG 3Å; F18-S39 WeakPolarHBondContact CD1-OG 3.07Å; S37-S39 PolarHBondContact O-N 3.25Å; S39-A42 PolarHBondContact O-N 2.92Å; S39-G43 PolarHBondContact O-N 2.86Å; S39-L44 VanDerWaalsContact O-CB 3.23Å; S39-L44 WeakPolarHBondContact O-CB 3.34Å; S39-L44 PolarHBondContact O-N 2.88Å
40E96.2Very high96.1Very high75 Ų7564 Ų6435%0.3531%0.309SS..Hα-helixtrans-67.5-41.4178.6-172.9176.8-127.400110.7I33 H35 R36 S37 A42 G43I33-E40 HydrophobicContact CG2-CB 3.98Å; H35-E40 WeakPolarHBondContact CA-OE2 3.35Å; H35-E40 IonicContact CE1-OE1 3.39Å; H35-E40 PolarHBondContact CE1-OE1 3.44Å; H35-E40 VanDerWaalsContact CE1-OE1 3.3Å; H35-E40 IonicContact CE1-OE2 2.73Å; H35-E40 IonicContact CG-OE1 3.14Å; H35-E40 IonicContact CG-OE2 2.91Å; H35-E40 VanDerWaalsContact ND1-CD 3.34Å; H35-E40 IonicContact ND1-OE1 3.1Å; H35-E40 PolarHBondContact ND1-OE1 2.93Å; H35-E40 IonicContact ND1-OE2 3.97Å; H35-E40 PolarHBondContact ND1-OE2 3.47Å; R36-E40 PolarHBondContact N-OE2 3.08Å; S37-E40 PolarHBondContact O-N 3.08Å; S37-E40 PolarHBondContact OG-N 2.86Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.13Å; E40-G43 PolarHBondContact O-N 3.02Å
41Q95.8Very high96.1Very high117 Ų11765.4 Ų65.455%0.54732%0.316SS..Hα-helixtrans-64.5-33.6176.3-75.2116.525.700113.1R36 S37 G43R36-Q41 PolarHBondContact O-NE2 3.45Å; S37-Q41 PolarHBondContact O-N 2.86Å; S37-Q41 PolarHBondContact O-OE1 3.12Å; Q41-G43 PolarHBondContact O-N 3.36Å
42A95.6Very high96.1Very high26 Ų2663.9 Ų63.922%0.21530%0.304CS..Hα-helixtrans-73.2-14.2173.800000113L8 L10 P38 S39 E40L8-A42 HydrophobicContact CB-CB 4.44Å; L8-A42 WeakPolarHBondContact CD2-O 3.37Å; L10-A42 HydrophobicContact CD1-CB 3.75Å; L10-A42 HydrophobicContact CG-CB 3.81Å; P38-A42 VanDerWaalsContact O-CB 3.32Å; P38-A42 WeakPolarHBondContact O-CB 3.23Å; P38-A42 PolarHBondContact O-N 3.47Å; S39-A42 PolarHBondContact O-N 2.92Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.13Å
43G95.4Very high96.1Very high30 Ų3057.7 Ų57.731%0.30928%0.277SS..THydrogen-bonded Turntrans88.119.8-179.400000114.9S39 E40 Q41 R83S39-G43 PolarHBondContact O-N 2.86Å; E40-G43 PolarHBondContact O-N 3.02Å; Q41-G43 PolarHBondContact O-N 3.36Å; G43-R83 PolarHBondContact O-NH2 2.87Å
44L96.7Very high96Very high8 Ų859.6 Ų59.64%0.04229%0.287CS..  trans-64.1144.5169.6-165.172.1000109.4L8 F18 V30 I33 S39 D48 I79 V81L8-L44 HydrophobicContact CD1-CB 4Å; L8-L44 HydrophobicContact CD1-CD1 3.61Å; L8-L44 HydrophobicContact CD1-CG 4.44Å; F18-L44 HydrophobicContact CB-CD2 3.95Å; F18-L44 HydrophobicContact CD1-CD2 4.26Å; F18-L44 HydrophobicContact CD2-CD2 4.04Å; F18-L44 HydrophobicContact CG-CD2 3.84Å; V30-L44 HydrophobicContact CG1-CD2 4.09Å; V30-L44 HydrophobicContact CG1-CG 4.38Å; V30-L44 HydrophobicContact CG2-CD1 4.07Å; V30-L44 HydrophobicContact CG2-CD2 4Å; V30-L44 HydrophobicContact CG2-CG 4.12Å; I33-L44 HydrophobicContact CD1-CB 3.88Å; I33-L44 HydrophobicContact CD1-CD2 4.13Å; I33-L44 HydrophobicContact CD1-CG 3.88Å; I33-L44 WeakPolarHBondContact CD1-O 3.49Å; S39-L44 VanDerWaalsContact O-CB 3.23Å; S39-L44 WeakPolarHBondContact O-CB 3.34Å; S39-L44 PolarHBondContact O-N 2.88Å; L44-D48 HydrophobicContact CD1-CB 4.47Å; L44-I79 HydrophobicContact CD1-CG2 4.29Å; L44-V81 HydrophobicContact CD1-CG1 3.71Å; L44-V81 HydrophobicContact CD1-CG2 4.45Å
45R95.7Very high95.9Very high145 Ų14554.4 Ų54.455%0.54729%0.288SS..  trans-128.6153.2-179.8-62.3-176.5-176.8171.22111.4I33 D48I33-R45 VanDerWaalsContact CD1-C 3.45Å; I33-R45 VanDerWaalsContact CD1-CA 3.46Å; R45-D48 PolarHBondContact N-OD2 3.24Å; R45-D48 VanDerWaalsContact O-CB 3.31Å; R45-D48 WeakPolarHBondContact O-CB 3.32Å; R45-D48 VanDerWaalsContact O-CG 3.31Å; R45-D48 PolarHBondContact O-N 2.83Å
46E95.7Very high95.9Very high115 Ų11550.4 Ų50.454%0.53727%0.274SS..THydrogen-bonded Turntrans-64.6134.2171-58.2-178.7166.100109.1K32 I33K32-E46 WeakPolarHBondContact CA-OE1 3.29Å; K32-E46 WeakPolarHBondContact CG-OE1 3.38Å; I33-E46 HydrophobicContact CB-CG 4.45Å; I33-E46 HydrophobicContact CD1-CG 4.45Å; I33-E46 HydrophobicContact CG1-CG 4.12Å; I33-E46 PolarHBondContact N-OE1 2.88Å
47G95Very high95.9Very high41 Ų4145.2 Ų45.242%0.42326%0.262SS..THydrogen-bonded Turntrans85.13.5-173.200000115.4V30 H49V30-G47 PolarHBondContact O-N 3.02Å; G47-H49 PolarHBondContact O-CD2 2.99Å
48D96.8Very high95.9Very high4 Ų444.9 Ų44.92%0.02126%0.259CS..  trans-67.7130.7169.6-80.8-13.9000110.2V30 L44 R45 V81 R83V30-D48 HydrophobicContact CB-CB 4.42Å; V30-D48 HydrophobicContact CG2-CB 4.08Å; V30-D48 PolarHBondContact N-O 2.94Å; L44-D48 HydrophobicContact CD1-CB 4.47Å; R45-D48 PolarHBondContact N-OD2 3.24Å; R45-D48 VanDerWaalsContact O-CB 3.31Å; R45-D48 WeakPolarHBondContact O-CB 3.32Å; R45-D48 VanDerWaalsContact O-CG 3.31Å; R45-D48 PolarHBondContact O-N 2.83Å; D48-V81 HydrophobicContact CB-CB 3.95Å; D48-V81 HydrophobicContact CB-CG1 4.16Å; D48-V81 HydrophobicContact CB-CG2 4.21Å; D48-R83 WeakPolarHBondContact OD1-CB 3.08Å; D48-R83 IonicContact OD1-CZ 2.64Å; D48-R83 IonicContact OD1-NE 3.41Å; D48-R83 PolarHBondContact OD1-NE 2.94Å; D48-R83 IonicContact OD1-NH2 3.45Å; D48-R83 PolarHBondContact OD1-NH2 2.8Å; D48-R83 IonicContact OD2-CZ 2.83Å; D48-R83 IonicContact OD2-NE 2.68Å; D48-R83 IonicContact OD2-NH2 3.51Å; D48-R83 PolarHBondContact OD2-NH2 3.2Å
49H96.2Very high95.7Very high25 Ų2548.7 Ų48.712%0.11628%0.278CS..EExtended strand (participates in β ladder)trans-84.6127.1175.3-64.6-166.1000109.2Y3 E26 G47 L51 V81 G82Y3-H49 WeakPolarHBondContact OH-CB 3.24Å; Y3-H49 PolarHBondContact OH-ND1 2.83Å; E26-H49 IonicContact OE2-CE1 2.86Å; E26-H49 IonicContact OE2-NE2 3.65Å; E26-H49 PolarHBondContact OE2-NE2 2.79Å; G47-H49 PolarHBondContact O-CD2 2.99Å; H49-L51 PolarHBondContact O-N 3.37Å; H49-V81 CarbonylContact O-C 3.6Å; H49-V81 WeakPolarHBondContact O-CA 3.14Å; H49-V81 WeakPolarHBondContact O-CB 3.33Å; H49-G82 PolarHBondContact N-O 2.79Å; H49-G82 PolarHBondContact O-N 2.76Å
50V97Very high95.4Very high4 Ų456.5 Ų56.52%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-83.5113.7-178.4-176.10000109.6L20 L28 V30 I53 A58 I79L20-V50 HydrophobicContact CD2-CG2 3.7Å; L28-V50 HydrophobicContact CB-CB 4Å; L28-V50 HydrophobicContact CB-CG2 4.41Å; L28-V50 PolarHBondContact O-N 2.86Å; V30-V50 HydrophobicContact CG2-CG2 4.19Å; V50-I53 HydrophobicContact CG1-CD1 3.96Å; V50-I53 HydrophobicContact CG1-CG1 3.62Å; V50-A58 HydrophobicContact CG1-CB 3.94Å; V50-I79 HydrophobicContact CG1-CD1 3.82Å; V50-I79 HydrophobicContact CG1-CG1 3.88Å; V50-I79 HydrophobicContact CG2-CD1 3.93Å
51L96.2Very high95.2Very high31 Ų3153.4 Ų53.416%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-95.2-35.5-178.6-57.3176.6000111.9E5 H49 D57 A58 L59 I80E5-L51 HydrophobicContact CG-CD1 4.03Å; H49-L51 PolarHBondContact O-N 3.37Å; L51-D57 VanDerWaalsContact O-OD1 3.06Å; L51-A58 PolarHBondContact O-N 3.02Å; L51-L59 HydrophobicContact CD2-CD2 3.73Å; L51-I80 HydrophobicContact CB-CB 4.48Å; L51-I80 HydrophobicContact CB-CG2 4.12Å; L51-I80 HydrophobicContact CD1-CG2 4.34Å; L51-I80 PolarHBondContact N-O 2.86Å
52A96.8Very high95.1Very high13 Ų1350.2 Ų50.211%0.10730%0.296CS..EExtended strand (participates in β ladder)trans-154151.9174.800000112.1V56 I79 I80A52-V56 CarbonylContact C-O 3.6Å; A52-V56 WeakPolarHBondContact CA-O 3.25Å; A52-V56 WeakPolarHBondContact CB-O 3.2Å; A52-I79 WeakPolarHBondContact O-CA 3.18Å; A52-I80 HydrophobicContact CB-CB 4.01Å; A52-I80 HydrophobicContact CB-CD1 4.09Å; A52-I80 HydrophobicContact CB-CG1 4.19Å; A52-I80 PolarHBondContact N-O 2.91Å; A52-I80 PolarHBondContact O-N 3.41Å
53I97Very high95Very high0 Ų052.2 Ų52.20%030%0.301CS..EExtended strand (participates in β ladder)trans-129.1120.7177.1-50-177.6000108.9V50 G55 V56 A58 M61 A66 I69 I70 L77 I79V50-I53 HydrophobicContact CG1-CD1 3.96Å; V50-I53 HydrophobicContact CG1-CG1 3.62Å; I53-G55 PolarHBondContact O-N 2.83Å; I53-G55 VanDerWaalsContact O-N 3.15Å; I53-V56 PolarHBondContact N-O 2.63Å; I53-V56 WeakPolarHBondContact O-CB 3.35Å; I53-V56 PolarHBondContact O-N 2.8Å; I53-A58 HydrophobicContact CG1-CB 4.2Å; I53-M61 HydrophobicContact CB-CE 4.39Å; I53-M61 HydrophobicContact CD1-CE 3.55Å; I53-M61 HydrophobicContact CG1-CE 3.97Å; I53-A66 HydrophobicContact CD1-CB 3.96Å; I53-I69 HydrophobicContact CB-CG2 4.31Å; I53-I69 HydrophobicContact CG2-CG2 3.83Å; I53-I70 HydrophobicContact CD1-CD1 3.91Å; I53-I70 HydrophobicContact CD1-CG1 4.05Å; I53-I70 HydrophobicContact CG2-CG1 3.91Å; I53-L77 HydrophobicContact CG2-CD1 3.72Å; I53-I79 HydrophobicContact CG1-CG1 4.48Å
54N95Very high95Very high64 Ų6454.2 Ų54.234%0.34231%0.314SS..THydrogen-bonded Turntrans49.337.1-177.1-72-22.9000113.8V56 I69 E78N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.76Å; N54-I69 HydrophobicContact CB-CG2 4.48Å; N54-E78 PolarHBondContact N-O 3.11Å; N54-E78 PolarHBondContact OD1-N 2.96Å
55G93.7Very high95Very high65 Ų6558.2 Ų58.267%0.6733%0.333SS*.THydrogen-bonded Turntrans81.6-0.6-178.900000115.3I53I53-G55 PolarHBondContact O-N 2.83Å; I53-G55 VanDerWaalsContact O-N 3.15Å
56V95.7Very high95Very high64 Ų6451.3 Ų51.339%0.38831%0.307SS..EExtended strand (participates in β ladder)trans-91.2128172.1-175.30000109.1A52 I53 N54 A58 I69A52-V56 CarbonylContact C-O 3.6Å; A52-V56 WeakPolarHBondContact CA-O 3.25Å; A52-V56 WeakPolarHBondContact CB-O 3.2Å; I53-V56 PolarHBondContact N-O 2.63Å; I53-V56 WeakPolarHBondContact O-CB 3.35Å; I53-V56 PolarHBondContact O-N 2.8Å; N54-V56 VanDerWaalsContact C-N 3.3Å; N54-V56 PolarHBondContact O-N 2.76Å; V56-A58 PolarHBondContact O-N 3.11Å; V56-I69 HydrophobicContact CB-CD1 4.21Å; V56-I69 HydrophobicContact CG1-CD1 4.09Å; V56-I69 HydrophobicContact CG2-CD1 4.36Å
57D95Very high95Very high98 Ų9848.2 Ų48.252%0.52430%0.295SS..EExtended strand (participates in β ladder)trans-59.6133.2176.2-172.711000110.9L51 L59L51-D57 VanDerWaalsContact O-OD1 3.06Å; D57-L59 WeakPolarHBondContact OD1-CG 3.39Å; D57-L59 PolarHBondContact OD1-N 3.19Å
58A94.7Very high95Very high0 Ų051.5 Ų51.50%030%0.3CS..  trans-112.8-0.9-173.400000113.8L28 V50 L51 I53 V56 D60 M61L28-A58 HydrophobicContact CD1-CB 4.3Å; V50-A58 HydrophobicContact CG1-CB 3.94Å; L51-A58 PolarHBondContact O-N 3.02Å; I53-A58 HydrophobicContact CG1-CB 4.2Å; V56-A58 PolarHBondContact O-N 3.11Å; A58-D60 PolarHBondContact O-N 3.02Å; A58-M61 HydrophobicContact CB-CB 4.47Å; A58-M61 HydrophobicContact CB-CE 3.56Å; A58-M61 PolarHBondContact O-N 2.75Å
59L92Very high94.9Very high98 Ų9852.9 Ų52.951%0.51331%0.307SS..THydrogen-bonded Turntrans-58.4-45-178.2-71.9172.4000113.1L51 D57L51-L59 HydrophobicContact CD2-CD2 3.73Å; D57-L59 WeakPolarHBondContact OD1-CG 3.39Å; D57-L59 PolarHBondContact OD1-N 3.19Å
60D90.3Very high94.8Very high164 Ų16452.2 Ų52.288%0.87730%0.304SS*.THydrogen-bonded Turntrans-105.213.9179.7-65.4-38.3000112.6A58A58-D60 PolarHBondContact O-N 3.02Å
61M92.3Very high94.6Very high9 Ų957.5 Ų57.54%0.04433%0.332CS..  trans-84.8127.1-174.6-176.3162.85600111.3L28 I53 A58 Q65 A66 I69L28-M61 HydrophobicContact CD1-CB 4.16Å; L28-M61 HydrophobicContact CD1-CE 4.13Å; L28-M61 HydrophobicContact CD1-CG 4.45Å; L28-M61 WeakPolarHBondContact CD1-O 3.28Å; I53-M61 HydrophobicContact CB-CE 4.39Å; I53-M61 HydrophobicContact CD1-CE 3.55Å; I53-M61 HydrophobicContact CG1-CE 3.97Å; A58-M61 HydrophobicContact CB-CB 4.47Å; A58-M61 HydrophobicContact CB-CE 3.56Å; A58-M61 PolarHBondContact O-N 2.75Å; M61-Q65 HydrophobicContact CG-CB 3.78Å; M61-Q65 HydrophobicContact CG-CG 3.85Å; M61-Q65 HydrophobicContact SD-CB 4.17Å; M61-Q65 HydrophobicContact SD-CG 3.74Å; M61-A66 HydrophobicContact CE-CB 3.7Å; M61-A66 HydrophobicContact CG-CB 4.25Å; M61-A66 HydrophobicContact SD-CB 4.23Å; M61-I69 HydrophobicContact CE-CD1 4.26Å; M61-I69 HydrophobicContact SD-CD1 3.5Å; M61-I69 VanDerWaalsContact SD-CD1 3.5Å
62S93.6Very high94.5Very high50 Ų5063.3 Ų63.335%0.3536%0.357SS..  trans-63.4152.4173.570.30000112.2A64 Q65 A66S62-A64 VanDerWaalsContact C-N 3.26Å; S62-A64 PolarHBondContact O-N 2.64Å; S62-Q65 PolarHBondContact O-N 3.49Å; S62-Q65 VanDerWaalsContact O-N 3.14Å; S62-Q65 WeakPolarHBondContact OG-CB 3.12Å; S62-Q65 PolarHBondContact OG-N 3.14Å; S62-A66 PolarHBondContact O-N 3.48Å
63H95.1Very high94.3Very high69 Ų6963 Ų6332%0.31935%0.354SS..Hα-helixtrans-52.1-43.2176.5-176.875.2000113.3L20 E22 L28 Q65 A66 V67L20-H63 PolarHBondContact O-CE1 2.9Å; L20-H63 VanDerWaalsContact O-CE1 3.26Å; E22-H63 HydrophobicContact CB-CB 4.17Å; E22-H63 WeakPolarHBondContact OE2-CB 3.46Å; E22-H63 PolarHBondContact OE2-N 3.48Å; L28-H63 HydrophobicContact CD2-CB 4.24Å; H63-Q65 PolarHBondContact O-N 3.08Å; H63-A66 PolarHBondContact O-N 3.43Å; H63-V67 VanDerWaalsContact O-CG2 3.31Å; H63-V67 WeakPolarHBondContact O-CG2 3.12Å; H63-V67 PolarHBondContact O-N 2.8Å
64A95.3Very high94Very high72 Ų7266.7 Ų66.760%0.59538%0.379SS*.Hα-helixtrans-63.3-42.8-178.800000112.2S62 Q68S62-A64 VanDerWaalsContact C-N 3.26Å; S62-A64 PolarHBondContact O-N 2.64Å; A64-Q68 WeakPolarHBondContact O-CB 3.49Å; A64-Q68 PolarHBondContact O-N 2.91Å
65Q95.3Very high93.9Very high92 Ų9272.8 Ų72.843%0.4340%0.399SS..Hα-helixtrans-68.1-39.6177.9-174.6-178.8-32.900111.4M61 S62 H63 Q68 I69M61-Q65 HydrophobicContact CG-CB 3.78Å; M61-Q65 HydrophobicContact CG-CG 3.85Å; M61-Q65 HydrophobicContact SD-CB 4.17Å; M61-Q65 HydrophobicContact SD-CG 3.74Å; S62-Q65 PolarHBondContact O-N 3.49Å; S62-Q65 VanDerWaalsContact O-N 3.14Å; S62-Q65 WeakPolarHBondContact OG-CB 3.12Å; S62-Q65 PolarHBondContact OG-N 3.14Å; H63-Q65 PolarHBondContact O-N 3.08Å; Q65-Q68 WeakPolarHBondContact O-CB 3.42Å; Q65-Q68 PolarHBondContact O-N 3.2Å; Q65-I69 HydrophobicContact CG-CD1 4.46Å; Q65-I69 WeakPolarHBondContact O-CG1 3.44Å; Q65-I69 PolarHBondContact O-N 3.36Å
66A96.2Very high93.9Very high0 Ų073.5 Ų73.50%039%0.39CS..Hα-helixtrans-60.7-48.1175.900000112L28 I53 M61 S62 H63 Q68 I69 I70L28-A66 HydrophobicContact CD1-CB 3.48Å; L28-A66 VanDerWaalsContact CD1-CB 3.48Å; L28-A66 HydrophobicContact CD2-CB 4.27Å; I53-A66 HydrophobicContact CD1-CB 3.96Å; M61-A66 HydrophobicContact CE-CB 3.7Å; M61-A66 HydrophobicContact CG-CB 4.25Å; M61-A66 HydrophobicContact SD-CB 4.23Å; S62-A66 PolarHBondContact O-N 3.48Å; H63-A66 PolarHBondContact O-N 3.43Å; A66-Q68 VanDerWaalsContact C-N 3.31Å; A66-Q68 PolarHBondContact O-N 3.43Å; A66-I69 PolarHBondContact O-N 3.38Å; A66-I70 WeakPolarHBondContact O-CD1 3.36Å; A66-I70 VanDerWaalsContact O-CG1 3.25Å; A66-I70 WeakPolarHBondContact O-CG1 3.38Å; A66-I70 PolarHBondContact O-N 3.39Å
67V95.1Very high94Very high49 Ų4970.4 Ų70.430%0.29737%0.372SS..Hα-helixtrans-60.1-42.8176.6172.30000110.6H63 I69 I70 D71H63-V67 VanDerWaalsContact O-CG2 3.31Å; H63-V67 WeakPolarHBondContact O-CG2 3.12Å; H63-V67 PolarHBondContact O-N 2.8Å; V67-I69 PolarHBondContact O-N 3.29Å; V67-I70 PolarHBondContact O-N 3.04Å; V67-D71 WeakPolarHBondContact CG1-OD2 3.46Å; V67-D71 WeakPolarHBondContact O-CB 3.19Å; V67-D71 VanDerWaalsContact O-CG 3.27Å; V67-D71 PolarHBondContact O-N 2.95Å
68Q94.8Very high94.1Very high110 Ų11068.2 Ų68.251%0.51436%0.359SS..Hα-helixtrans-58.8-45.9176.9-175.81779.500112.3A64 Q65 A66 I70 D71 F72A64-Q68 WeakPolarHBondContact O-CB 3.49Å; A64-Q68 PolarHBondContact O-N 2.91Å; Q65-Q68 WeakPolarHBondContact O-CB 3.42Å; Q65-Q68 PolarHBondContact O-N 3.2Å; A66-Q68 VanDerWaalsContact C-N 3.31Å; A66-Q68 PolarHBondContact O-N 3.43Å; Q68-I70 VanDerWaalsContact C-N 3.35Å; Q68-D71 PolarHBondContact O-N 3.42Å; Q68-F72 HydrophobicContact CG-CD2 3.96Å; Q68-F72 HydrophobicContact CG-CE2 3.52Å; Q68-F72 WeakPolarHBondContact O-CD2 3.42Å; Q68-F72 PolarHBondContact O-N 2.99Å; Q68-F72 VanDerWaalsContact O-N 3.14Å
69I94.9Very high94.2Very high33 Ų3368.2 Ų68.217%0.16936%0.359CS..Hα-helixtrans-65-39.3177.5-64.3175000111.4I53 N54 V56 M61 Q65 A66 V67 F72 A73I53-I69 HydrophobicContact CB-CG2 4.31Å; I53-I69 HydrophobicContact CG2-CG2 3.83Å; N54-I69 HydrophobicContact CB-CG2 4.48Å; V56-I69 HydrophobicContact CB-CD1 4.21Å; V56-I69 HydrophobicContact CG1-CD1 4.09Å; V56-I69 HydrophobicContact CG2-CD1 4.36Å; M61-I69 HydrophobicContact CE-CD1 4.26Å; M61-I69 HydrophobicContact SD-CD1 3.5Å; M61-I69 VanDerWaalsContact SD-CD1 3.5Å; Q65-I69 HydrophobicContact CG-CD1 4.46Å; Q65-I69 WeakPolarHBondContact O-CG1 3.44Å; Q65-I69 PolarHBondContact O-N 3.36Å; A66-I69 PolarHBondContact O-N 3.38Å; V67-I69 PolarHBondContact O-N 3.29Å; I69-F72 PolarHBondContact O-N 2.85Å; I69-A73 PolarHBondContact O-N 3.14Å
70I95.5Very high94.4Very high12 Ų1265 Ų656%0.06234%0.341CS..Hα-helixtrans-65.6-41177.8-70.5165.1000111.4W16 F18 L20 I53 A66 V67 Q68 F72 A73 L77W16-I70 VanDerWaalsContact CD1-CG2 3.43Å; W16-I70 HydrophobicContact CG-CG2 4.5Å; W16-I70 PolarHBondContact NE1-O 3.27Å; F18-I70 HydrophobicContact CE2-CD1 4.2Å; F18-I70 HydrophobicContact CZ-CD1 3.85Å; F18-I70 HydrophobicContact CZ-CG2 4.46Å; L20-I70 HydrophobicContact CD1-CD1 3.36Å; I53-I70 HydrophobicContact CD1-CD1 3.91Å; I53-I70 HydrophobicContact CD1-CG1 4.05Å; I53-I70 HydrophobicContact CG2-CG1 3.91Å; A66-I70 WeakPolarHBondContact O-CD1 3.36Å; A66-I70 VanDerWaalsContact O-CG1 3.25Å; A66-I70 WeakPolarHBondContact O-CG1 3.38Å; A66-I70 PolarHBondContact O-N 3.39Å; V67-I70 PolarHBondContact O-N 3.04Å; Q68-I70 VanDerWaalsContact C-N 3.35Å; I70-F72 VanDerWaalsContact C-N 3.31Å; I70-F72 PolarHBondContact O-N 3.27Å; I70-A73 WeakPolarHBondContact O-CB 3.39Å; I70-A73 PolarHBondContact O-N 3.4Å; I70-A73 VanDerWaalsContact O-N 3.16Å; I70-L77 HydrophobicContact CG1-CD1 4.25Å; I70-L77 HydrophobicContact CG1-CD2 4.24Å; I70-L77 HydrophobicContact CG2-CD2 4.01Å
71D93.2Very high94.8Very high114 Ų11457.2 Ų57.261%0.6130%0.3SS*.Hα-helixtrans-70.2-28.6-179.8-73.4-15.5000112.1V67 Q68 A73V67-D71 WeakPolarHBondContact CG1-OD2 3.46Å; V67-D71 WeakPolarHBondContact O-CB 3.19Å; V67-D71 VanDerWaalsContact O-CG 3.27Å; V67-D71 PolarHBondContact O-N 2.95Å; Q68-D71 PolarHBondContact O-N 3.42Å; D71-A73 VanDerWaalsContact C-N 3.26Å; D71-A73 PolarHBondContact O-N 3.13Å
72F92.7Very high94.9Very high154 Ų15456.8 Ų56.868%0.67530%0.298SS*.Hα-helixtrans-70.5-19.9171.5-79.9-60.3000113.4Q68 I69 I70 S74Q68-F72 HydrophobicContact CG-CD2 3.96Å; Q68-F72 HydrophobicContact CG-CE2 3.52Å; Q68-F72 WeakPolarHBondContact O-CD2 3.42Å; Q68-F72 PolarHBondContact O-N 2.99Å; Q68-F72 VanDerWaalsContact O-N 3.14Å; I69-F72 PolarHBondContact O-N 2.85Å; I70-F72 VanDerWaalsContact C-N 3.31Å; I70-F72 PolarHBondContact O-N 3.27Å; F72-S74 PolarHBondContact O-N 2.63Å
73A93.4Very high94.9Very high7 Ų755.1 Ų55.16%0.05828%0.284CS..  trans-74.6117176.700000110.4W16 I69 I70 D71 L77W16-A73 HydrophobicContact CZ2-CB 3.76Å; W16-A73 VanDerWaalsContact CZ2-O 3.31Å; W16-A73 WeakPolarHBondContact CZ2-O 3.42Å; I69-A73 PolarHBondContact O-N 3.14Å; I70-A73 WeakPolarHBondContact O-CB 3.39Å; I70-A73 PolarHBondContact O-N 3.4Å; I70-A73 VanDerWaalsContact O-N 3.16Å; D71-A73 VanDerWaalsContact C-N 3.26Å; D71-A73 PolarHBondContact O-N 3.13Å; A73-L77 HydrophobicContact CB-CB 4.14Å; A73-L77 HydrophobicContact CB-CD1 3.79Å
74S89.9Confident94.7Very high76 Ų7658.9 Ų58.953%0.53130%0.296SS..SBendtrans-95-47-175.7-40.80000114.2G13 P14 F72G13-S74 WeakPolarHBondContact CA-O 3.41Å; P14-S74 WeakPolarHBondContact CD-O 3.22Å; F72-S74 PolarHBondContact O-N 2.63Å
75Y92.3Very high94.3Very high193 Ų19358 Ų5876%0.75728%0.28SS*.SBendtrans-113.9-35.6-172.5-65.1-75.5000113.3N12 G13N12-Y75 PolarHBondContact N-O 3.02Å; G13-Y75 PolarHBondContact N-O 3.07Å
76T95.2Very high93.2Very high79 Ų7960.5 Ų60.549%0.48529%0.285SS..EExtended strand (participates in β ladder)trans-135.6135-179.5540000109.9L10L10-T76 VanDerWaalsContact O-CA 3.29Å; L10-T76 WeakPolarHBondContact O-CA 3.48Å
77L96.8Very high91.5Very high0 Ų066.9 Ų66.90%032%0.315CS..EExtended strand (participates in β ladder)trans-118.8117.4170.4176.869.3000108L10 W16 F18 I53 I70 A73L10-L77 HydrophobicContact CB-CB 4.26Å; L10-L77 HydrophobicContact CD2-CD2 4.35Å; L10-L77 PolarHBondContact N-O 3.48Å; L10-L77 PolarHBondContact O-N 3.08Å; W16-L77 HydrophobicContact CD2-CB 4Å; W16-L77 HydrophobicContact CD2-CD2 4.04Å; W16-L77 HydrophobicContact CE3-CB 4.12Å; W16-L77 HydrophobicContact CG-CD2 3.98Å; W16-L77 HydrophobicContact CH2-CB 3.75Å; W16-L77 HydrophobicContact CZ2-CB 3.61Å; W16-L77 HydrophobicContact CZ3-CB 4Å; F18-L77 HydrophobicContact CE1-CD2 3.88Å; F18-L77 HydrophobicContact CZ-CD2 3.96Å; I53-L77 HydrophobicContact CG2-CD1 3.72Å; I70-L77 HydrophobicContact CG1-CD1 4.25Å; I70-L77 HydrophobicContact CG1-CD2 4.24Å; I70-L77 HydrophobicContact CG2-CD2 4.01Å; A73-L77 HydrophobicContact CB-CB 4.14Å; A73-L77 HydrophobicContact CB-CD1 3.79Å
78E96.7Very high89.8Confident52 Ų5273.5 Ų73.524%0.24334%0.339CS..EExtended strand (participates in β ladder)trans-91.2126.9171.8-179.4-178.5167.700109R7 N54R7-E78 HydrophobicContact CG-CG 4.49Å; R7-E78 IonicContact CZ-OE1 3.71Å; R7-E78 IonicContact CZ-OE2 3.08Å; R7-E78 IonicContact NE-OE1 3.2Å; R7-E78 PolarHBondContact NE-OE1 2.86Å; R7-E78 IonicContact NH2-OE1 3.79Å; R7-E78 PolarHBondContact NH2-OE1 3.29Å; R7-E78 IonicContact NH2-OE2 2.76Å; R7-E78 PolarHBondContact NH2-OE2 3.06Å; N54-E78 PolarHBondContact N-O 3.11Å; N54-E78 PolarHBondContact OD1-N 2.96Å
79I97.2Very high87.7Confident0 Ų074.6 Ų74.60%035%0.349CS..EExtended strand (participates in β ladder)trans-133.6132.3177.6-165.2172.1000109.5L8 L10 L44 V50 A52 I53 V81L8-I79 HydrophobicContact CB-CG2 3.87Å; L8-I79 PolarHBondContact N-O 3.23Å; L8-I79 PolarHBondContact O-N 2.68Å; L10-I79 HydrophobicContact CD1-CG2 3.71Å; L44-I79 HydrophobicContact CD1-CG2 4.29Å; V50-I79 HydrophobicContact CG1-CD1 3.82Å; V50-I79 HydrophobicContact CG1-CG1 3.88Å; V50-I79 HydrophobicContact CG2-CD1 3.93Å; A52-I79 WeakPolarHBondContact O-CA 3.18Å; I53-I79 HydrophobicContact CG1-CG1 4.48Å; I79-V81 HydrophobicContact CD1-CG1 4.14Å; I79-V81 HydrophobicContact CG1-CG1 3.98Å; I79-V81 HydrophobicContact CG2-CG1 4.44Å
80I97.5Very high85.6Confident30 Ų3078.6 Ų78.615%0.15438%0.375CS..EExtended strand (participates in β ladder)trans-102.3124.5172-58.3-177.3000106.9E5 K6 R7 L51 A52E5-I80 HydrophobicContact CG-CG2 3.42Å; E5-I80 VanDerWaalsContact CG-CG2 3.42Å; E5-I80 WeakPolarHBondContact OE1-CG2 3.4Å; K6-I80 WeakPolarHBondContact O-CA 3.3Å; R7-I80 HydrophobicContact CB-CG1 4.46Å; R7-I80 HydrophobicContact CG-CG1 4.31Å; L51-I80 HydrophobicContact CB-CB 4.48Å; L51-I80 HydrophobicContact CB-CG2 4.12Å; L51-I80 HydrophobicContact CD1-CG2 4.34Å; L51-I80 PolarHBondContact N-O 2.86Å; A52-I80 HydrophobicContact CB-CB 4.01Å; A52-I80 HydrophobicContact CB-CD1 4.09Å; A52-I80 HydrophobicContact CB-CG1 4.19Å; A52-I80 PolarHBondContact N-O 2.91Å; A52-I80 PolarHBondContact O-N 3.41Å
81V97.2Very high83.1Confident0 Ų085.3 Ų85.30%041%0.406CS..EExtended strand (participates in β ladder)trans-125146.2-178.9-61.40000112.1E5 K6 L8 L44 D48 H49 I79E5-V81 CarbonylContact C-O 3.42Å; E5-V81 WeakPolarHBondContact CA-O 3.05Å; K6-V81 HydrophobicContact CB-CG2 4.16Å; K6-V81 PolarHBondContact N-O 3.08Å; K6-V81 PolarHBondContact O-N 2.91Å; L8-V81 HydrophobicContact CD1-CG2 3.76Å; L8-V81 HydrophobicContact CG-CG2 4.24Å; L44-V81 HydrophobicContact CD1-CG1 3.71Å; L44-V81 HydrophobicContact CD1-CG2 4.45Å; D48-V81 HydrophobicContact CB-CB 3.95Å; D48-V81 HydrophobicContact CB-CG1 4.16Å; D48-V81 HydrophobicContact CB-CG2 4.21Å; H49-V81 CarbonylContact O-C 3.6Å; H49-V81 WeakPolarHBondContact O-CA 3.14Å; H49-V81 WeakPolarHBondContact O-CB 3.33Å; I79-V81 HydrophobicContact CD1-CG1 4.14Å; I79-V81 HydrophobicContact CG1-CG1 3.98Å; I79-V81 HydrophobicContact CG2-CG1 4.44Å
82G96.1Very high80.8Confident0 Ų085.4 Ų85.40%041%0.411CS..EExtended strand (participates in β ladder)trans-103.7136.4169.900000111.2Y3 H49Y3-G82 VanDerWaalsContact CZ-CA 3.47Å; Y3-G82 WeakPolarHBondContact OH-CA 3.08Å; H49-G82 PolarHBondContact N-O 2.79Å; H49-G82 PolarHBondContact O-N 2.76Å
83R93.3Very high78.6Confident16 Ų1682.7 Ų82.76%0.0641%0.407CS..EExtended strand (participates in β ladder)trans-141.3143.3177.863.5173.963.6155.59.6112.4V4 G43 D48 E85V4-R83 PolarHBondContact N-O 2.83Å; V4-R83 PolarHBondContact O-N 3.33Å; G43-R83 PolarHBondContact O-NH2 2.87Å; D48-R83 WeakPolarHBondContact OD1-CB 3.08Å; D48-R83 IonicContact OD1-CZ 2.64Å; D48-R83 IonicContact OD1-NE 3.41Å; D48-R83 PolarHBondContact OD1-NE 2.94Å; D48-R83 IonicContact OD1-NH2 3.45Å; D48-R83 PolarHBondContact OD1-NH2 2.8Å; D48-R83 IonicContact OD2-CZ 2.83Å; D48-R83 IonicContact OD2-NE 2.68Å; D48-R83 IonicContact OD2-NH2 3.51Å; D48-R83 PolarHBondContact OD2-NH2 3.2Å; R83-E85 VanDerWaalsContact CD-OE1 3.24Å; R83-E85 WeakPolarHBondContact CD-OE1 3.19Å; R83-E85 HydrophobicContact CG-CG 3.9Å; R83-E85 PolarHBondContact O-N 2.78Å
84Y90.9Very high76.3Confident148 Ų14892.7 Ų92.758%0.5845%0.445SS*.EExtended strand (participates in β ladder)trans-79.5108.2173.2-66.7-80.4000110.7T2 Y3T2-Y84 CarbonylContact O-C 3.5Å; Y3-Y84 AromaticContact CD2-CD1 3.72Å; Y3-Y84 HydrophobicContact CD2-CD1 3.72Å; Y3-Y84 AromaticContact CD2-CD2 3.89Å; Y3-Y84 HydrophobicContact CD2-CD2 3.89Å; Y3-Y84 AromaticContact CD2-CE1 3.54Å; Y3-Y84 HydrophobicContact CD2-CE1 3.54Å; Y3-Y84 AromaticContact CD2-CE2 3.72Å; Y3-Y84 HydrophobicContact CD2-CE2 3.72Å; Y3-Y84 AromaticContact CD2-CG 3.89Å; Y3-Y84 HydrophobicContact CD2-CG 3.89Å; Y3-Y84 AromaticContact CD2-CZ 3.54Å; Y3-Y84 HydrophobicContact CE2-CD2 4.15Å; Y3-Y84 HydrophobicContact CE2-CE1 4.4Å; Y3-Y84 AromaticContact CE2-CE2 3.81Å; Y3-Y84 HydrophobicContact CE2-CE2 3.81Å; Y3-Y84 AromaticContact CE2-CZ 3.96Å; Y3-Y84 HydrophobicContact CG-CD1 4.42Å; Y3-Y84 HydrophobicContact CG-CE1 4.18Å
85E85.2Confident74.3Confident54 Ų5495.8 Ų95.825%0.25245%0.452SS..EExtended strand (participates in β ladder)trans-100.4142.8175.2-56.1-15314600111.2M1 T2 V4 K6 R83M1-E85 CarbonylContact C-O 3.52Å; M1-E85 WeakPolarHBondContact CA-O 3.04Å; T2-E85 PolarHBondContact N-O 2.86Å; T2-E85 PolarHBondContact O-N 2.86Å; V4-E85 HydrophobicContact CB-CG 4.22Å; V4-E85 HydrophobicContact CG2-CB 4.08Å; V4-E85 HydrophobicContact CG2-CG 4.04Å; K6-E85 WeakPolarHBondContact CE-OE1 3.3Å; K6-E85 IonicContact NZ-OE1 3.86Å; K6-E85 PolarHBondContact NZ-OE1 3.14Å; K6-E85 IonicContact NZ-OE2 2.63Å; R83-E85 VanDerWaalsContact CD-OE1 3.24Å; R83-E85 WeakPolarHBondContact CD-OE1 3.19Å; R83-E85 HydrophobicContact CG-CG 3.9Å; R83-E85 PolarHBondContact O-N 2.78Å
86R74Confident72.2Confident143 Ų14393.2 Ų93.254%0.5445%0.452SS..PPolyproline II helixtrans-86.8127.1162.2-71.3-174.7-170.3169.78.4107.3M1 K88 S236M1-R86 HydrophobicContact CE-CG 3.74Å; M1-R86 VanDerWaalsContact CE-NE 3.33Å; M1-R86 HydrophobicContact CG-CG 4.04Å; M1-R86 HydrophobicContact SD-CG 3.25Å; M1-R86 WeakPolarHBondContact SD-CG 3.23Å; M1-R86 PolarHBondContact SD-NE 3.15Å; R86-K88 PolarHBondContact O-N 2.93Å; R86-S236 PolarHBondContact NH1-O 3.41Å; R86-S236 VanDerWaalsContact NH1-O 3.1Å
87H60.4Low70.5Confident135 Ų13594.9 Ų94.963%0.62546%0.458SS*.PPolyproline II helixtrans-52116.1169.1-67.7-65.9000109.1T2 N89T2-H87 WeakPolarHBondContact CG2-NE2 3.46Å; T2-H87 PolarHBondContact OG1-CE1 3.46Å; H87-N89 PolarHBondContact O-N 2.87Å
88K59.4Low68.7Low187 Ų187103.8 Ų103.881%0.81350%0.496SS*.  trans-82.978.1162.4-64.5-176.7-178.4-1760106.3R86 T90R86-K88 PolarHBondContact O-N 2.93Å; K88-T90 PolarHBondContact O-N 2.97Å
89N49Very low66.7Low133 Ų133104.3 Ų104.371%0.71151%0.51SS*.  trans-66.991.1163.7-111.223.3000106.5H87 E91H87-N89 PolarHBondContact O-N 2.87Å; N89-E91 PolarHBondContact O-N 3.13Å
90T51.4Low64.5Low117 Ų117110.1 Ų110.172%0.71854%0.54SS*.  trans-86.36816545.80000106.6K88 T92K88-T90 PolarHBondContact O-N 2.97Å; T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 3.15Å
91E42.4Very low62.4Low153 Ų153115.6 Ų115.672%0.71557%0.569SS**  trans-66102.2155.8-84.5179.6166.300105.6N89 V93N89-E91 PolarHBondContact O-N 3.13Å; E91-V93 HydrophobicContact CB-CG2 4.34Å; E91-V93 PolarHBondContact O-N 3.39Å
92T46.1Very low60.4Low116 Ų116120.1 Ų120.171%0.71260%0.601SS**  trans-68.382.9167.740.60000107.3T90 Y94T90-T92 VanDerWaalsContact C-N 3.28Å; T90-T92 PolarHBondContact O-N 3.15Å; T92-Y94 PolarHBondContact O-N 2.95Å; T92-Y94 VanDerWaalsContact O-N 3.13Å
93V45.2Very low58.5Low97 Ų97128.9 Ų128.959%0.58864%0.639SS**  trans-74.5102167-175.60000106.4E91 M95E91-V93 HydrophobicContact CB-CG2 4.34Å; E91-V93 PolarHBondContact O-N 3.39Å; V93-M95 VanDerWaalsContact C-N 3.3Å; V93-M95 HydrophobicContact CG1-CE 4.23Å; V93-M95 HydrophobicContact CG1-CG 3.88Å; V93-M95 PolarHBondContact O-N 3.48Å
94Y45.9Very low56.2Low218 Ų218136.4 Ų136.486%0.85568%0.675SS**  trans-60.797.2162.6-81.6-96.2000107.4T92 D96T92-Y94 PolarHBondContact O-N 2.95Å; T92-Y94 VanDerWaalsContact O-N 3.13Å; Y94-D96 PolarHBondContact O-N 2.8Å
95M47.8Very low54Low140 Ų140138.1 Ų138.169%0.6969%0.685SS**  trans-82.1114.2169.3-71.2-150.6150.200108.7V93 N97V93-M95 VanDerWaalsContact C-N 3.3Å; V93-M95 HydrophobicContact CG1-CE 4.23Å; V93-M95 HydrophobicContact CG1-CG 3.88Å; V93-M95 PolarHBondContact O-N 3.48Å; M95-N97 PolarHBondContact O-N 2.86Å; M95-N97 VanDerWaalsContact O-N 3.08Å
96D48.9Very low52.1Low139 Ų139141.2 Ų141.274%0.74371%0.71SS**  trans-65.1104.8173.8-121.1-11.4000109.1Y94 K98 A99Y94-D96 PolarHBondContact O-N 2.8Å; D96-K98 PolarHBondContact O-N 3.41Å; D96-A99 PolarHBondContact O-N 3.37Å; D96-A99 VanDerWaalsContact O-N 3.12Å
97N59.9Low50.7Low115 Ų115143 Ų14362%0.61572%0.724SS**Hα-helixtrans-58.8-13.7-177.3-72.7-41.1000113.7M95 A99 L100 L101M95-N97 PolarHBondContact O-N 2.86Å; M95-N97 VanDerWaalsContact O-N 3.08Å; N97-A99 VanDerWaalsContact C-N 3.32Å; N97-A99 PolarHBondContact O-N 3.48Å; N97-L100 PolarHBondContact O-N 3.08Å; N97-L101 VanDerWaalsContact O-CD1 3.28Å; N97-L101 WeakPolarHBondContact O-CD1 3.31Å
98K58.6Low50.2Low186 Ų186145.2 Ų145.281%0.80974%0.735SS**Hα-helixtrans-65-31174.9-99.9-174.6174.4-177.90113.6D96D96-K98 PolarHBondContact O-N 3.41Å
99A54.4Low49.8Very low64 Ų64141.2 Ų141.253%0.52972%0.721SS.*Hα-helixtrans-70.6-33.9-179.300000112.1D96 N97 S102D96-A99 PolarHBondContact O-N 3.37Å; D96-A99 VanDerWaalsContact O-N 3.12Å; N97-A99 VanDerWaalsContact C-N 3.32Å; N97-A99 PolarHBondContact O-N 3.48Å; A99-S102 PolarHBondContact O-N 2.92Å; A99-S102 PolarHBondContact O-OG 2.98Å
100L52Low49.9Very low122 Ų122138.8 Ų138.864%0.63971%0.712SS**Hα-helixtrans-72.7-29.6-176.9-69173.8000113.4N97 S102N97-L100 PolarHBondContact O-N 3.08Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 3.35Å
101L52.8Low50.1Low144 Ų144138.8 Ų138.875%0.75471%0.711SS**Hα-helixtrans-72.6-22.9175.6-8484.7000113.2N97N97-L101 VanDerWaalsContact O-CD1 3.28Å; N97-L101 WeakPolarHBondContact O-CD1 3.31Å
102S54.9Low51Low96 Ų96136.2 Ų136.267%0.67171%0.707SS**THydrogen-bonded Turntrans-81.5-11.7-177.171.40000114.8A99 L100A99-S102 PolarHBondContact O-N 2.92Å; A99-S102 PolarHBondContact O-OG 2.98Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 3.35Å
103K56.2Low51.8Low183 Ų183136.2 Ų136.280%0.79670%0.699SS**THydrogen-bonded Turntrans-100.73.5-173.9-71.7-92-177.8169.40114.1K105K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 3.21Å
104Q45.9Very low52.3Low175 Ų175135.2 Ų135.282%0.81869%0.689SS**  trans-85.171.4179.8-150.9173.524.800111.5
105K43.8Very low53.1Low184 Ų184130.6 Ų130.680%0.868%0.675SS**  trans-129.9102.1151.6-154.6175.5-171.91790105.6K103 Q107K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 3.21Å; K105-Q107 PolarHBondContact O-N 3.08Å
106P46.2Very low53.9Low119 Ų119128.8 Ų128.877%0.77367%0.668SS**  trans-59.9107-179.2-18.129.4000108.7
107Q43.7Very low54.5Low180 Ų180128.6 Ų128.684%0.84166%0.661SS**  trans-83.4118.9160.7-81-171-29.100106.4K105 I109K105-Q107 PolarHBondContact O-N 3.08Å; Q107-I109 PolarHBondContact O-N 3.44Å
108E49.5Very low54.2Low182 Ų182131.9 Ų131.985%0.8567%0.665SS**  trans-63.8101.8175.3-62.9-179.6171.100108.6T110E108-T110 PolarHBondContact O-N 2.95Å; E108-T110 VanDerWaalsContact O-N 3.11Å
109I50.7Low54.2Low102 Ų102129.6 Ų129.652%0.52366%0.657SS.*  trans-67.3110.5170.7-53.5164.3000105.8Q107 E113 L114Q107-I109 PolarHBondContact O-N 3.44Å; I109-E113 HydrophobicContact CG2-CB 3.47Å; I109-E113 VanDerWaalsContact CG2-CB 3.47Å; I109-L114 HydrophobicContact CB-CG 4.47Å; I109-L114 HydrophobicContact CG2-CG 3.87Å
110T52.2Low54.8Low83 Ų83135.3 Ų135.351%0.50967%0.67SS.*  trans-59.7150.3177.653.50000110.2E108 T112 E113 L114E108-T110 PolarHBondContact O-N 2.95Å; E108-T110 VanDerWaalsContact O-N 3.11Å; T110-T112 PolarHBondContact O-N 3.18Å; T110-E113 PolarHBondContact O-N 2.55Å; T110-L114 PolarHBondContact O-N 3.13Å; T110-L114 VanDerWaalsContact O-N 3.15Å
111T55Low55.1Low116 Ų116136.5 Ų136.571%0.71267%0.672SS**Hα-helixtrans-53.5-26.7-179.9-43.30000112.4Q115T111-Q115 PolarHBondContact O-N 2.84Å; T111-Q115 VanDerWaalsContact O-N 3.13Å
112T61.8Low54.7Low100 Ų100136.6 Ų136.661%0.61367%0.671SS**Hα-helixtrans-71.9-38.4174.6-41.40000113.2T110 Q115 L116T110-T112 PolarHBondContact O-N 3.18Å; T112-Q115 PolarHBondContact O-N 2.8Å; T112-L116 WeakPolarHBondContact O-CG 3.21Å; T112-L116 PolarHBondContact O-N 3.31Å; T112-L116 VanDerWaalsContact O-N 3.08Å
113E61.7Low54.7Low116 Ų116138 Ų13854%0.54268%0.677SS.*Hα-helixtrans-71.9-35.5175.4-86.9-164.5145.600112.4I109 T110 L116 F117I109-E113 HydrophobicContact CG2-CB 3.47Å; I109-E113 VanDerWaalsContact CG2-CB 3.47Å; T110-E113 PolarHBondContact O-N 2.55Å; E113-L116 PolarHBondContact O-N 2.83Å; E113-F117 WeakPolarHBondContact O-CB 3.31Å; E113-F117 PolarHBondContact O-N 2.78Å
114L57.3Low54.2Low75 Ų75137.3 Ų137.339%0.39368%0.682SS.*Hα-helixtrans-60.3-47.1170.4-84.5161.6000110.4I109 T110 L116 F117 W118I109-L114 HydrophobicContact CB-CG 4.47Å; I109-L114 HydrophobicContact CG2-CG 3.87Å; T110-L114 PolarHBondContact O-N 3.13Å; T110-L114 VanDerWaalsContact O-N 3.15Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.9Å; L114-F117 WeakPolarHBondContact O-CB 3.32Å; L114-F117 PolarHBondContact O-N 3.2Å; L114-F117 VanDerWaalsContact O-N 3.14Å; L114-W118 PolarHBondContact O-N 3.3Å
115Q61.1Low54.5Low121 Ų121138.1 Ų138.157%0.56568%0.682SS**Hα-helixtrans-58-43.7178.1-162.981.340.900112.1T111 T112 F117 W118 E119T111-Q115 PolarHBondContact O-N 2.84Å; T111-Q115 VanDerWaalsContact O-N 3.13Å; T112-Q115 PolarHBondContact O-N 2.8Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 2.68Å; Q115-W118 PolarHBondContact O-N 3.19Å; Q115-E119 PolarHBondContact O-N 3.48Å
116L66.2Low54.6Low102 Ų102135.3 Ų135.353%0.53468%0.683SS.*Hα-helixtrans-67-33.4177.8-74.8164.2000112.6T112 E113 L114 K120T112-L116 WeakPolarHBondContact O-CG 3.21Å; T112-L116 PolarHBondContact O-N 3.31Å; T112-L116 VanDerWaalsContact O-N 3.08Å; E113-L116 PolarHBondContact O-N 2.83Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 2.9Å; L116-K120 VanDerWaalsContact O-CB 3.23Å; L116-K120 WeakPolarHBondContact O-CB 3.08Å; L116-K120 PolarHBondContact O-N 2.99Å; L116-K120 VanDerWaalsContact O-N 3.08Å
117F61.3Low54.3Low135 Ų135134.3 Ų134.359%0.59268%0.684SS**Hα-helixtrans-68.3-42.9174.7-171.7-102000111.5E113 L114 Q115 K120 E121E113-F117 WeakPolarHBondContact O-CB 3.31Å; E113-F117 PolarHBondContact O-N 2.78Å; L114-F117 WeakPolarHBondContact O-CB 3.32Å; L114-F117 PolarHBondContact O-N 3.2Å; L114-F117 VanDerWaalsContact O-N 3.14Å; Q115-F117 VanDerWaalsContact C-N 3.34Å; Q115-F117 PolarHBondContact O-N 2.68Å; F117-K120 PolarHBondContact O-N 3.17Å; F117-E121 PolarHBondContact O-N 2.73Å
118W52.1Low54.1Low185 Ų185137.1 Ų137.170%0.70169%0.687SS**Hα-helixtrans-69.3-31.7175.9-70.2106.6000113.1L114 Q115 M122L114-W118 PolarHBondContact O-N 3.3Å; Q115-W118 PolarHBondContact O-N 3.19Å; W118-M122 WeakPolarHBondContact O-CG 3.25Å
119E59.8Low53.8Low138 Ų138138.2 Ų138.265%0.64568%0.684SS**Hα-helixtrans-73.2-33.4174.3-96.3-175.2150.300113.2Q115Q115-E119 PolarHBondContact O-N 3.48Å
120K67.7Low53.5Low184 Ų184141 Ų14180%0.870%0.699SS**Hα-helixtrans-81.3-19.7-171.9-164.6166.6-177.9-179.90114.2L116 F117L116-K120 VanDerWaalsContact O-CB 3.23Å; L116-K120 WeakPolarHBondContact O-CB 3.08Å; L116-K120 PolarHBondContact O-N 2.99Å; L116-K120 VanDerWaalsContact O-N 3.08Å; F117-K120 PolarHBondContact O-N 3.17Å
121E57.8Low52.8Low146 Ų146147 Ų14768%0.68271%0.713SS**THydrogen-bonded Turntrans-103.23.7-177.5-74.5-83142.900113.8F117 P123F117-E121 PolarHBondContact O-N 2.73Å; E121-P123 WeakPolarHBondContact O-CD 3.01Å
122M44.1Very low53.2Low147 Ų147146.2 Ų146.272%0.72471%0.71SS**SBendtrans-78.3119.9171.3-65.2-159.592.700110.3W118 L124W118-M122 WeakPolarHBondContact O-CG 3.25Å; M122-L124 PolarHBondContact O-N 3.3Å; M122-L124 VanDerWaalsContact O-N 3.08Å
123P54.8Low53.3Low124 Ų124146.8 Ų146.881%0.80572%0.716SS**PPolyproline II helixtrans-60.1120.6171.923.6-30.4000108.4E121 K125E121-P123 WeakPolarHBondContact O-CD 3.01Å; P123-K125 PolarHBondContact O-N 2.85Å
124L46.5Very low53.3Low170 Ų170146.7 Ų146.789%0.8973%0.725SS**PPolyproline II helixtrans-46.9138.4171.6-69.9164.8000109.6M122M122-L124 PolarHBondContact O-N 3.3Å; M122-L124 VanDerWaalsContact O-N 3.08Å
125K50.9Low53.5Low191 Ų191149.2 Ų149.283%0.8375%0.746SS**  trans-26.8139.8170.1-68.9167.7178171.40112.1P123 A127P123-K125 PolarHBondContact O-N 2.85Å; K125-A127 PolarHBondContact O-N 2.97Å
126P45.1Very low53.2Low126 Ų126151.6 Ų151.682%0.81876%0.757SS**  trans-53.8118.6170.723.3-31.1000108.3R128P126-R128 PolarHBondContact O-N 3.04Å; P126-R128 VanDerWaalsContact O-N 3.13Å
127A40.4Very low52Low97 Ų97152.9 Ų152.980%0.80277%0.771SS**  trans-53.2122.3173.300000107.5K125 R129K125-A127 PolarHBondContact O-N 2.97Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.05Å
128R40.7Very low51.3Low239 Ų239153.2 Ų153.290%0.90278%0.784SS**  trans-57.7103168.4-80.3-167.9-169.4-158.64.4107P126 N130P126-R128 PolarHBondContact O-N 3.04Å; P126-R128 VanDerWaalsContact O-N 3.13Å; R128-N130 PolarHBondContact O-N 2.98Å
129R42.2Very low50.5Low205 Ų205153.5 Ų153.577%0.77479%0.793SS**  trans-56.5118.8158179.1170.3159.9162.7-5.2106A127 W131A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.05Å; R129-W131 VanDerWaalsContact C-N 3.34Å; R129-W131 PolarHBondContact O-N 3.25Å
130N44.2Very low49.4Very low160 Ų160156 Ų15686%0.85681%0.805SS**  trans-5097176.3-78.7-17.3000109.5R128R128-N130 PolarHBondContact O-N 2.98Å
131W37.7Very low48.2Very low210 Ų210157.4 Ų157.480%0.79581%0.807SS**PPolyproline II helixtrans-90.4125.6165.5-9598.8000107R129R129-W131 VanDerWaalsContact C-N 3.34Å; R129-W131 PolarHBondContact O-N 3.25Å
132P62.7Low47.3Very low99 Ų99156.8 Ų156.864%0.64381%0.808SS**PPolyproline II helixtrans-59.4145.9174.724.2-32.1000109.9
133P65.9Low47.3Very low113 Ų113157 Ų15773%0.73481%0.811SS**PPolyproline II helixtrans-62.9145.4179.325.9-32.7000110.8
134P60.3Low46.7Very low114 Ų114156.4 Ų156.474%0.7481%0.807SS**PPolyproline II helixtrans-64.8137.8172.126.9-31.8000109.9Q136P134-Q136 PolarHBondContact O-N 3.2Å
135P62.8Low46.6Very low128 Ų128153.5 Ų153.583%0.83180%0.798SS**PPolyproline II helixtrans-65132.8178.624.1-30.6000111
136Q53Low46.1Very low171 Ų171152.6 Ų152.680%0.79980%0.797SS**PPolyproline II helixtrans-67150.6175-68.3-178.4-5.900111.1P134 V138P134-Q136 PolarHBondContact O-N 3.2Å; Q136-V138 PolarHBondContact O-N 3.03Å; Q136-V138 VanDerWaalsContact O-N 3.17Å
137P42.7Very low45.9Very low128 Ų128154.2 Ų154.283%0.83179%0.794SS**  trans-74.3108.2-179.429.9-31.4000110.1
138V45.9Very low45.8Very low143 Ų143155.4 Ų155.487%0.86779%0.791SS**  trans-86113.8162.2-800000108.7Q136 E140Q136-V138 PolarHBondContact O-N 3.03Å; Q136-V138 VanDerWaalsContact O-N 3.17Å; V138-E140 PolarHBondContact O-N 2.62Å
139Q35Very low45.8Very low191 Ų191150.4 Ų150.489%0.89379%0.79SS**  trans-70.4113.6162.8-69.8171.7-28.400107.8
140E38.1Very low45.9Very low191 Ų191146.1 Ų146.189%0.89379%0.786SS**  trans-157.6147.1147.6-142.8155.7177.900112.3V138V138-E140 PolarHBondContact O-N 2.62Å
141Y40.6Very low46Very low212 Ų212145.3 Ų145.383%0.83178%0.777SS**  trans-75.1162.3-161.8-89.9-110.3000115.1
142N39.9Very low46.3Very low133 Ų133140.5 Ų140.571%0.71178%0.775SS**  trans89.988.7149.1-65-16.3000121.2
143I44.7Very low45.4Very low153 Ų153144.1 Ų144.179%0.78578%0.781SS**  20.1153.4117.7-29.9164.5000118.4
144P42.1Very low44.3Very low110 Ų110149.9 Ų149.971%0.71479%0.788SS**  -126.1-141.7-74.739-16.2000110.4
145P43.9Very low43.8Very low110 Ų110149.5 Ų149.571%0.71479%0.786SS**  -123.1157.8-76.132.8-12.2000113.9
146Q40.7Very low42.8Very low172 Ų172149.2 Ų149.280%0.80478%0.784SS**  trans176115148.9-106.3171.137.800110
147Q40Very low42.5Very low160 Ų160148.9 Ų148.975%0.74879%0.787SS**  92121.388.9-80.7-172.438.800115.2
148T38.5Very low42.8Very low121 Ų121151.9 Ų151.974%0.74279%0.786SS**  trans80.8131.4161.469.90000119.5
149P40.5Very low42.3Very low135 Ų135154 Ų15488%0.87779%0.787SS**  -133.2151.7119.636.5-25.8000113.8
150V45.9Very low42.5Very low114 Ų114150.5 Ų150.569%0.69178%0.779SS**  trans-103.4124.5-174.1166.90000110.2
151Q45.6Very low42.7Very low144 Ų144149 Ų14967%0.67377%0.771SS**  trans55.2125.5141-59.3172.527.800122.1
152S43.6Very low42.6Very low109 Ų109144.9 Ų144.976%0.76277%0.774SS**  -176.3109.1106-80.20000109.9
153K43.5Very low42.7Very low175 Ų175144 Ų14476%0.76177%0.773SS**  56.6120.593.4-69.6-178.5-179.7171.90112.2
154R43.2Very low42.5Very low234 Ų234142.7 Ų142.788%0.88378%0.777SS**  175.9170.158.8-159-175.5-121-112.71.5108.7
155P50.8Low42.6Very low106 Ų106144.2 Ų144.269%0.68878%0.778SS**  -124.4169.5-58.239.1-24.7000114.1
156P41.4Very low42.7Very low122 Ų122147 Ų14779%0.79278%0.781SS**  trans-108150.3168.336.6-26.1000113.4
157L47Very low43Very low164 Ų164144.7 Ų144.786%0.85978%0.778SS**  trans-104.7103.2173.1-86.3161.9000111.6
158K47.5Very low43.4Very low190 Ų190141.3 Ų141.383%0.82677%0.77SS**  trans49.4118.4134.3-60.9-174.4180-174.90121.7
159Q35.9Very low43.3Very low188 Ų188140.5 Ų140.588%0.87978%0.776SS**  trans-51.8148.3157-61.4159-23.100113.5
160T39.8Very low43.7Very low117 Ų117143.2 Ų143.272%0.71878%0.777SS**  trans-158.6119.6142.642.50000112.6
161H42.6Very low44Very low160 Ų160147 Ų14774%0.74178%0.784SS**  trans67.996.5140.9-52.1-54.5000121
162S38.7Very low43.8Very low126 Ų126146.4 Ų146.488%0.88179%0.792SS**  trans-59123.8143.136.80000110.5
163V40.6Very low44.2Very low115 Ų115148 Ų14870%0.69780%0.798SS**  trans-116.7108.9171.6-177.70000107.8I165V163-I165 HydrophobicContact CG1-CG1 4.22Å; V163-I165 PolarHBondContact O-N 3.16Å
164S41.1Very low44.3Very low124 Ų124144 Ų14487%0.86780%0.797SS**  trans-66.4116.3163.6-69.40000108.8
165I43.8Very low44.3Very low143 Ų143140.4 Ų140.473%0.73379%0.794SS**  trans-95.3105.6169.4-60.3-177.6000108.1V163V163-I165 HydrophobicContact CG1-CG1 4.22Å; V163-I165 PolarHBondContact O-N 3.16Å
166H45.4Very low44.5Very low167 Ų167141.2 Ų141.277%0.77380%0.799SS**  trans-71119.2166.5-18072.4000108.7P168H166-P168 WeakPolarHBondContact O-CD 3.41Å
167V48.2Very low45Very low125 Ų125141.2 Ų141.276%0.75880%0.796SS**  trans-91.6112.5174.1178.90000108.1
168P48.6Very low45.2Very low88 Ų88138.6 Ų138.657%0.57179%0.789SS**  trans-87.8139.5174.832.7-28.4000111.1H166H166-P168 WeakPolarHBondContact O-CD 3.41Å
169A36.3Very low45.8Very low104 Ų104135.1 Ų135.186%0.8679%0.786SS**  trans-57.9134.7177.200000112.7
170Q48.3Very low46.1Very low192 Ų192135.1 Ų135.190%0.89779%0.786SS**  trans-122134.3165.8-68.3-169.348.300111.1
171K52.8Low46.6Very low194 Ų194137.4 Ų137.484%0.84379%0.792SS**  trans-71.8159.4-169.1-78.6173.1177.81760113
172P41Very low46.6Very low131 Ų131137.6 Ų137.685%0.85179%0.793SS**  trans-73.2133.2-178.529.9-32.4000110.9
173V51.1Low46.5Very low144 Ų144138.6 Ų138.687%0.87379%0.794SS**  trans-116.1131.8168.5-179.40000108.8
174A46.7Very low46.9Very low90 Ų90139 Ų13974%0.74480%0.797SS**  trans-73.4152.5-169.300000114.3
175I42.1Very low47.2Very low159 Ų159141.1 Ų141.182%0.81579%0.793SS**  trans-57.3144.6172-59.1154.3000110.9
176P55Low47.4Very low122 Ų122141.4 Ų141.479%0.79280%0.795SS**  -131.7133.1128.618.41.7000114.1
177T53.2Low48.3Very low122 Ų122137.8 Ų137.875%0.74879%0.786SS**  trans-20.7145.6161.8-28.50000118
178P51.4Low49Very low109 Ų109137 Ų13771%0.70878%0.783SS**PPolyproline II helixtrans-82.6152.8-172.834.3-36000113
179P58.9Low49.5Very low117 Ų117138.7 Ų138.776%0.7679%0.794SS**PPolyproline II helixtrans-84.7136.816433.5-27.8000110I181P179-I181 PolarHBondContact O-N 3.29Å
180Q43.6Very low50.3Low188 Ų188139.8 Ų139.888%0.87979%0.79SS**PPolyproline II helixtrans-61.9122.7172.7-59.9-168.3-3.300110.2
181I49.1Very low50.1Low165 Ų165142 Ų14285%0.84679%0.79SS**  trans-91.9112.8166.5-61.3178.9000107.1P179P179-I181 PolarHBondContact O-N 3.29Å
182Q43.2Very low49.8Very low164 Ų164141.2 Ų141.277%0.76679%0.789SS**  trans-58.7132.2173.4-69.51707.900110V184Q182-V184 PolarHBondContact O-N 3.35Å
183T37.5Very low50.2Low147 Ų147143.4 Ų143.490%0.90279%0.788SS**  trans-49102.5163.819.40000110.6
184V47.1Very low50.1Low125 Ų125141 Ų14176%0.75878%0.777SS**  trans-94.8109.5162.3-168.40000106.7Q182 I186Q182-V184 PolarHBondContact O-N 3.35Å; V184-I186 PolarHBondContact O-N 3.1Å
185H47.6Very low50.4Low167 Ų167143.9 Ų143.977%0.77378%0.779SS**  trans-64.696.5175-177.6-62.3000109P187H185-P187 VanDerWaalsContact O-CD 3.32Å; H185-P187 WeakPolarHBondContact O-CD 3.4Å
186I49.4Very low51.1Low150 Ų150142.4 Ų142.477%0.76977%0.773SS**  trans-74.7115.6171.3-57.1172.4000107.1V184V184-I186 PolarHBondContact O-N 3.1Å
187P62.5Low51.5Low91 Ų91141.5 Ų141.559%0.59177%0.767SS**PPolyproline II helixtrans-67.7151.117529-31.9000110.1H185H185-P187 VanDerWaalsContact O-CD 3.32Å; H185-P187 WeakPolarHBondContact O-CD 3.4Å
188P64.4Low51.9Low107 Ų107141.1 Ų141.170%0.69577%0.767SS**PPolyproline II helixtrans-61.8147.8-177.727.1-33.6000110.5V190P188-V190 PolarHBondContact O-N 3.48Å; P188-V190 VanDerWaalsContact O-N 3.15Å
189P59.2Low52.3Low124 Ų124143.6 Ų143.681%0.80577%0.772SS**PPolyproline II helixtrans-62.9122.217726.1-31.3000109R191P189-R191 PolarHBondContact O-N 2.83Å; P189-R191 VanDerWaalsContact O-N 3.08Å
190V52.8Low52.4Low127 Ų127144.3 Ų144.377%0.7777%0.768SS**  trans-58.4112.5169.2-175.20000106.8P188 Q192P188-V190 PolarHBondContact O-N 3.48Å; P188-V190 VanDerWaalsContact O-N 3.15Å; V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 3.25Å
191R42.9Very low53Low240 Ų240138.6 Ų138.691%0.90675%0.747SS**  trans-66.990.9169.5-70.8-177.2-171.8172.42.7107.6P189 Q193P189-R191 PolarHBondContact O-N 2.83Å; P189-R191 VanDerWaalsContact O-N 3.08Å; R191-Q193 PolarHBondContact O-N 3.16Å
192Q48Very low53.5Low176 Ų176139.8 Ų139.882%0.82275%0.749SS**  trans-66.6116.5162.5-75.2-179.1-14.800107.3V190 S194V190-Q192 VanDerWaalsContact C-N 3.27Å; V190-Q192 PolarHBondContact O-N 3.25Å; Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.5Å
193Q48.8Very low54.5Low177 Ų177136.7 Ų136.783%0.82774%0.738SS**  trans-68.695.9167.8-66.4174.7-12.600106.3R191 I195R191-Q193 PolarHBondContact O-N 3.16Å; Q193-I195 PolarHBondContact O-N 3.45Å; Q193-I195 VanDerWaalsContact O-N 3.07Å
194S48.2Very low56Low93 Ų93135.5 Ų135.565%0.6573%0.733SS**  trans-70.2102166.157.70000107.1Q192 D196Q192-S194 VanDerWaalsContact C-N 3.33Å; Q192-S194 PolarHBondContact O-N 3.5Å; S194-D196 PolarHBondContact O-N 3.48Å
195I54.2Low56.9Low152 Ų152136.9 Ų136.978%0.77974%0.736SS**  trans-77.277.2169.7-58.3165.3000105.2Q193Q193-I195 PolarHBondContact O-N 3.45Å; Q193-I195 VanDerWaalsContact O-N 3.07Å
196D55.3Low57.5Low127 Ų127132.7 Ų132.768%0.67972%0.721SS**PPolyproline II helixtrans-80.5124.8165.8-69.6-39.7000107.4S194S194-D196 PolarHBondContact O-N 3.48Å
197P65Low58.2Low104 Ų104131.4 Ų131.468%0.67572%0.721SS**PPolyproline II helixtrans-60.9136.6178.624.8-31.7000109I199P197-I199 PolarHBondContact O-N 3.14Å; P197-I199 VanDerWaalsContact O-N 3.08Å
198P61.4Low58.2Low114 Ų114132.4 Ų132.474%0.7473%0.73SS**PPolyproline II helixtrans-58.9119.4178.323-31.2000109.1I200P198-I200 PolarHBondContact O-N 3.44Å
199I59.8Low58Low161 Ų161130.7 Ų130.783%0.82672%0.717SS**  trans-62.4109.2171.3-63.3165.9000106.2P197 P201P197-I199 PolarHBondContact O-N 3.14Å; P197-I199 VanDerWaalsContact O-N 3.08Å; I199-P201 VanDerWaalsContact O-CD 3.3Å; I199-P201 WeakPolarHBondContact O-CD 3.47Å
200I60.6Low58.5Low132 Ų132128 Ų12868%0.67770%0.702SS**  trans-82.3114.5175-58.8171.7000106.7P198 H202P198-I200 PolarHBondContact O-N 3.44Å; I200-H202 PolarHBondContact O-N 3.24Å
201P56.4Low59.4Low67 Ų67127.1 Ų127.144%0.43570%0.696SS.*  trans-64.5123.2170.7-1631.4000108.7I199 D203 V206I199-P201 VanDerWaalsContact O-CD 3.3Å; I199-P201 WeakPolarHBondContact O-CD 3.47Å; P201-D203 PolarHBondContact O-N 2.97Å; P201-D203 VanDerWaalsContact O-N 3.13Å; P201-V206 HydrophobicContact CB-CB 4.42Å; P201-V206 HydrophobicContact CB-CG1 4.21Å; P201-V206 HydrophobicContact CG-CG1 4.28Å
202H59.8Low60.8Low191 Ų191123.9 Ų123.988%0.88469%0.689SS**  trans-75.714178.3-96.6-72.7000113.8I200I200-H202 PolarHBondContact O-N 3.24Å
203D63.8Low61.9Low98 Ų98120.2 Ų120.252%0.52467%0.671SS.*  trans-98.9118.5-172.3-148-12.7000109.8P201 D205 V206P201-D203 PolarHBondContact O-N 2.97Å; P201-D203 VanDerWaalsContact O-N 3.13Å; D203-D205 PolarHBondContact O-N 3.45Å; D203-D205 VanDerWaalsContact O-N 3.08Å; D203-V206 HydrophobicContact CB-CB 4.25Å; D203-V206 HydrophobicContact CB-CG2 3.79Å; D203-V206 PolarHBondContact O-N 3.01Å; D203-V206 VanDerWaalsContact O-N 3.14Å
204P68.5Low62.8Low123 Ų123115.4 Ų115.480%0.79965%0.651SS**THydrogen-bonded Turntrans-63.8-12.9-174.123.8-33.9000114.8
205D66.2Low63.7Low154 Ų154117.2 Ų117.282%0.82465%0.651SS**THydrogen-bonded Turntrans-100.44.4177.9-77.4-21.5000114.2D203D203-D205 PolarHBondContact O-N 3.45Å; D203-D205 VanDerWaalsContact O-N 3.08Å
206V61.3Low64.4Low78 Ų78118.8 Ų118.847%0.47365%0.647SS.*  trans-107.892-176.5-178.20000111.1P201 D203 S208P201-V206 HydrophobicContact CB-CB 4.42Å; P201-V206 HydrophobicContact CB-CG1 4.21Å; P201-V206 HydrophobicContact CG-CG1 4.28Å; D203-V206 HydrophobicContact CB-CB 4.25Å; D203-V206 HydrophobicContact CB-CG2 3.79Å; D203-V206 PolarHBondContact O-N 3.01Å; D203-V206 VanDerWaalsContact O-N 3.14Å; V206-S208 PolarHBondContact O-N 3.21Å
207T63.8Low64.8Low123 Ų123119.6 Ų119.676%0.75565%0.647SS**  trans-71.3122.8167.536.60000110.9V209T207-V209 PolarHBondContact O-N 2.99Å
208S62.5Low64.5Low112 Ų112122.1 Ų122.178%0.78365%0.647SS**  trans-68.7113.3173.553.50000110.7V206V206-S208 PolarHBondContact O-N 3.21Å
209V59.2Low64.3Low71 Ų71122.3 Ų122.343%0.4364%0.642SS.*  trans-93.2122.3177.5-173.30000108.6T207 Q213 L214T207-V209 PolarHBondContact O-N 2.99Å; V209-Q213 HydrophobicContact CG1-CB 3.68Å; V209-Q213 HydrophobicContact CG1-CG 3.79Å; V209-L214 HydrophobicContact CG1-CD1 4.45Å; V209-L214 HydrophobicContact CG1-CG 4.03Å
210S70.7Confident64.2Low68 Ų68120 Ų12048%0.47664%0.635SS.*  trans-63.9146.2177.782.40000110.9K212 Q213 L214S210-K212 PolarHBondContact O-N 2.8Å; S210-K212 VanDerWaalsContact O-N 3.11Å; S210-Q213 WeakPolarHBondContact O-CA 3.43Å; S210-Q213 VanDerWaalsContact O-CB 3.29Å; S210-Q213 WeakPolarHBondContact O-CB 3.33Å; S210-Q213 PolarHBondContact O-N 3.42Å; S210-Q213 WeakPolarHBondContact OG-CB 3.26Å; S210-Q213 PolarHBondContact OG-N 3.46Å; S210-Q213 VanDerWaalsContact OG-N 3.1Å; S210-L214 PolarHBondContact O-N 3.43Å
211V71.7Confident64.4Low108 Ų108118.5 Ų118.566%0.65563%0.634SS**Hα-helixtrans-53.8-34.7175.9177.30000111.3Q213 L214 M215V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.2Å; V211-L214 PolarHBondContact O-N 3.5Å; V211-M215 HydrophobicContact CG1-CG 4.31Å; V211-M215 HydrophobicContact CG1-SD 4.1Å; V211-M215 WeakPolarHBondContact O-CB 3.21Å; V211-M215 VanDerWaalsContact O-CG 3.22Å; V211-M215 WeakPolarHBondContact O-CG 3.41Å; V211-M215 PolarHBondContact O-N 3.41Å
212K70.8Confident64.7Low172 Ų172121.4 Ų121.475%0.74865%0.653SS**Hα-helixtrans-65.9-34.4174.1-77.2-177.9177.91760113S210 R216S210-K212 PolarHBondContact O-N 2.8Å; S210-K212 VanDerWaalsContact O-N 3.11Å; K212-R216 WeakPolarHBondContact O-CB 3.19Å; K212-R216 PolarHBondContact O-N 3.29Å
213Q72.7Confident64.3Low99 Ų99118.7 Ų118.746%0.46364%0.644SS.*Hα-helixtrans-71.3-43.8176.3-167.574.912.500110.3V209 S210 V211 M215 R216 E217V209-Q213 HydrophobicContact CG1-CB 3.68Å; V209-Q213 HydrophobicContact CG1-CG 3.79Å; S210-Q213 WeakPolarHBondContact O-CA 3.43Å; S210-Q213 VanDerWaalsContact O-CB 3.29Å; S210-Q213 WeakPolarHBondContact O-CB 3.33Å; S210-Q213 PolarHBondContact O-N 3.42Å; S210-Q213 WeakPolarHBondContact OG-CB 3.26Å; S210-Q213 PolarHBondContact OG-N 3.46Å; S210-Q213 VanDerWaalsContact OG-N 3.1Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.2Å; Q213-M215 PolarHBondContact O-N 3.21Å; Q213-R216 PolarHBondContact O-N 2.88Å; Q213-R216 VanDerWaalsContact O-N 3.1Å; Q213-E217 PolarHBondContact O-N 2.77Å
214L67Low63.8Low77 Ų77117.8 Ų117.840%0.40365%0.65SS.*Hα-helixtrans-57.5-47.4170.8-93.8157.2000111.4V209 S210 V211 R216 E217 F218V209-L214 HydrophobicContact CG1-CD1 4.45Å; V209-L214 HydrophobicContact CG1-CG 4.03Å; S210-L214 PolarHBondContact O-N 3.43Å; V211-L214 PolarHBondContact O-N 3.5Å; L214-R216 PolarHBondContact O-N 3.32Å; L214-E217 PolarHBondContact O-N 3.1Å; L214-F218 HydrophobicContact CD2-CD2 4.27Å; L214-F218 HydrophobicContact CD2-CE2 3.77Å; L214-F218 WeakPolarHBondContact O-CD2 3.47Å; L214-F218 PolarHBondContact O-N 3.39Å; L214-F218 VanDerWaalsContact O-N 3.08Å
215M67.7Low63.1Low130 Ų130117.7 Ų117.764%0.6465%0.649SS**Hα-helixtrans-63-28177-70.9-179.979.100113.1V211 Q213V211-M215 HydrophobicContact CG1-CG 4.31Å; V211-M215 HydrophobicContact CG1-SD 4.1Å; V211-M215 WeakPolarHBondContact O-CB 3.21Å; V211-M215 VanDerWaalsContact O-CG 3.22Å; V211-M215 WeakPolarHBondContact O-CG 3.41Å; V211-M215 PolarHBondContact O-N 3.41Å; Q213-M215 PolarHBondContact O-N 3.21Å
216R68.3Low62.2Low185 Ų185116.8 Ų116.870%0.69864%0.64SS**Hα-helixtrans-81-31.3176.7-136178.2-165.3131.42.7113K212 Q213 L214 F218 D219K212-R216 WeakPolarHBondContact O-CB 3.19Å; K212-R216 PolarHBondContact O-N 3.29Å; Q213-R216 PolarHBondContact O-N 2.88Å; Q213-R216 VanDerWaalsContact O-N 3.1Å; L214-R216 PolarHBondContact O-N 3.32Å; R216-F218 VanDerWaalsContact C-N 3.29Å; R216-D219 PolarHBondContact O-N 2.77Å
217E64.1Low61.7Low144 Ų144120.9 Ų120.967%0.67366%0.659SS**Hα-helixtrans-77.1-20.3176.8-131.2162.6-15500111.9Q213 L214Q213-E217 PolarHBondContact O-N 2.77Å; L214-E217 PolarHBondContact O-N 3.1Å
218F58.2Low61.1Low157 Ų157124.3 Ų124.369%0.68966%0.663SS**THydrogen-bonded Turntrans-94.210169.9-76.3-74.2000114.1L214 R216 V220L214-F218 HydrophobicContact CD2-CD2 4.27Å; L214-F218 HydrophobicContact CD2-CE2 3.77Å; L214-F218 WeakPolarHBondContact O-CD2 3.47Å; L214-F218 PolarHBondContact O-N 3.39Å; L214-F218 VanDerWaalsContact O-N 3.08Å; R216-F218 VanDerWaalsContact C-N 3.29Å; F218-V220 PolarHBondContact O-N 3.35Å
219D57Low60.8Low119 Ų119126.1 Ų126.164%0.63666%0.657SS**  trans-66.4105.9168.7-91-34.3000108.6R216R216-D219 PolarHBondContact O-N 2.77Å
220V58.9Low60.7Low111 Ų111128.6 Ų128.667%0.67366%0.662SS**  trans-48.4127.1172.9178.50000107.3F218F218-V220 PolarHBondContact O-N 3.35Å
221P63.6Low60.2Low102 Ų102129.8 Ų129.866%0.66266%0.663SS**  trans-49.6138.6178.919.3-31.4000108.6I223P221-I223 PolarHBondContact O-N 2.84Å
222P62.5Low59.7Low127 Ų127128.7 Ų128.783%0.82565%0.647SS**  trans-50.7115-177.220.2-31.4000107.7A224P222-A224 PolarHBondContact O-N 3.26Å
223I51.4Low59.3Low134 Ų134123.7 Ų123.769%0.68764%0.638SS**  trans-50.9116.1178.6-68.7158.2000105.1P221 E226P221-I223 PolarHBondContact O-N 2.84Å; I223-E226 HydrophobicContact CG2-CG 4.46Å
224A54.7Low58.6Low79 Ų79123.5 Ų123.565%0.65364%0.64SS**  trans-43.7133174.900000107.1P222 E226P222-A224 PolarHBondContact O-N 3.26Å; A224-E226 PolarHBondContact O-N 3.43Å
225P53.5Low58.1Low122 Ų122125 Ų12579%0.79266%0.658SS**  trans-46.4113.2-16819-31.7000107.5L227P225-L227 PolarHBondContact O-N 2.66Å
226E47.1Very low57.6Low135 Ų135121.4 Ų121.463%0.63165%0.645SS**  trans-45.6116.9-176.8-94.5-160.9154.100105.1I223 A224 K228 K229I223-E226 HydrophobicContact CG2-CG 4.46Å; A224-E226 PolarHBondContact O-N 3.43Å; E226-K228 PolarHBondContact O-N 3.3Å; E226-K229 IonicContact OE2-NZ 3.6Å
227L49.8Very low56.9Low164 Ų164119.5 Ų119.586%0.85964%0.642SS**  trans-46.3111.8175.3-76.3169.7000105.2P225 K229P225-L227 PolarHBondContact O-N 2.66Å; L227-K229 PolarHBondContact O-N 3.44Å
228K52.4Low56.6Low194 Ų194116 Ų11684%0.84362%0.623SS**  trans-41.3114.1-174.2-72-179.4178.7177.30106.2E226 K230E226-K228 PolarHBondContact O-N 3.3Å; K228-K230 PolarHBondContact O-N 3.35Å
229K55.4Low56.5Low151 Ų151113 Ų11366%0.65762%0.622SS**  trans-47.5110.9-177-86.2169.9179.3145.50105.9E226 L227 N231E226-K229 IonicContact OE2-NZ 3.6Å; L227-K229 PolarHBondContact O-N 3.44Å; K229-N231 PolarHBondContact O-N 3.12Å; K229-N231 PolarHBondContact O-OD1 3.05Å
230K57.4Low56.7Low122 Ų122110.3 Ų110.353%0.5361%0.608SS.*  trans-64.4105.2179.4-69.4-177.1178.6-173.20104.6K228 Y232 T247K228-K230 PolarHBondContact O-N 3.35Å; K230-Y232 HydrophobicContact CB-CD2 4.26Å; K230-Y232 HydrophobicContact CB-CE2 3.53Å; K230-Y232 WeakPolarHBondContact CD-OH 3.47Å; K230-Y232 WeakPolarHBondContact O-CD2 3.24Å; K230-Y232 WeakPolarHBondContact O-CE2 3.4Å; K230-Y232 PolarHBondContact O-N 2.74Å; K230-T247 HydrophobicContact CB-CG2 3.87Å; K230-T247 HydrophobicContact CD-CG2 3.87Å; K230-T247 HydrophobicContact CG-CG2 3.94Å
231N60.1Low57Low93 Ų93111.2 Ų111.250%0.49762%0.616SS.*  trans-75.6111.7179.9-72.9-17.6000106K229 I248K229-N231 PolarHBondContact O-N 3.12Å; K229-N231 PolarHBondContact O-OD1 3.05Å; N231-I248 HydrophobicContact CB-CD1 3.98Å; N231-I248 WeakPolarHBondContact O-CB 3.38Å; N231-I248 WeakPolarHBondContact O-CD1 3.23Å; N231-I248 WeakPolarHBondContact O-CG1 3.45Å; N231-I248 PolarHBondContact O-N 3Å
232Y61.9Low57.3Low85 Ų85112 Ų11233%0.33362%0.619SS.*  trans-97.4142.6173.2-62-83000108.6K230 D234 Y238 T247K230-Y232 HydrophobicContact CB-CD2 4.26Å; K230-Y232 HydrophobicContact CB-CE2 3.53Å; K230-Y232 WeakPolarHBondContact CD-OH 3.47Å; K230-Y232 WeakPolarHBondContact O-CD2 3.24Å; K230-Y232 WeakPolarHBondContact O-CE2 3.4Å; K230-Y232 PolarHBondContact O-N 2.74Å; Y232-D234 PolarHBondContact O-N 2.84Å; Y232-Y238 HydrophobicContact CD1-CD2 4.37Å; Y232-Y238 HydrophobicContact CD1-CG 4.26Å; Y232-T247 HydrophobicContact CE1-CG2 4.28Å
233A61Low57.5Low68 Ų68111.5 Ų111.556%0.56260%0.603SS**SBendtrans-64.6-21.4-175.300000113.8I248A233-I248 HydrophobicContact CB-CD1 4.32Å; A233-I248 HydrophobicContact CB-CG1 4.03Å
234D58Low58.5Low94 Ų94113.2 Ų113.250%0.50360%0.602SS.*  trans-153.1124171.9-171.1-13.7000109.7Y232 S236 Y238Y232-D234 PolarHBondContact O-N 2.84Å; D234-S236 VanDerWaalsContact C-N 3.25Å; D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 PolarHBondContact OD1-N 2.85Å; D234-Y238 WeakPolarHBondContact O-CD2 3.42Å
235S57.7Low59.2Low110 Ų110112.1 Ų112.177%0.76958%0.582SS**THydrogen-bonded Turntrans-80.48.3-16965.30000115.4
236S55.7Low60.4Low53 Ų53108.1 Ų108.137%0.37156%0.556SS.*THydrogen-bonded Turntrans-103.1-11.9-174.880.20000116.4R86 D234R86-S236 PolarHBondContact NH1-O 3.41Å; R86-S236 VanDerWaalsContact NH1-O 3.1Å; D234-S236 VanDerWaalsContact C-N 3.25Å; D234-S236 PolarHBondContact O-N 2.81Å; D234-S236 PolarHBondContact OD1-N 2.85Å
237F54.3Low61.8Low146 Ų146102.2 Ų102.264%0.6453%0.529SS*.THydrogen-bonded Turntrans-118.5-22.1-172.7-142.7-96.4000114.7
238Y58.2Low63.2Low70 Ų7097 Ų9728%0.27550%0.502SS..SBendtrans-101.59.2-166.8-56.4-58.5000115.2Y232 D234 D240 Y245Y232-Y238 HydrophobicContact CD1-CD2 4.37Å; Y232-Y238 HydrophobicContact CD1-CG 4.26Å; D234-Y238 WeakPolarHBondContact O-CD2 3.42Å; Y238-D240 VanDerWaalsContact C-N 3.34Å; Y238-Y245 VanDerWaalsContact CD1-CB 3.41Å; Y238-Y245 AromaticContact CD1-CD1 3.68Å; Y238-Y245 HydrophobicContact CD1-CD1 3.68Å; Y238-Y245 AromaticContact CD1-CD2 3.6Å; Y238-Y245 HydrophobicContact CD1-CD2 3.6Å; Y238-Y245 HydrophobicContact CD1-CE1 4.26Å; Y238-Y245 HydrophobicContact CD1-CE2 4.15Å; Y238-Y245 AromaticContact CD1-CG 3.31Å; Y238-Y245 HydrophobicContact CD1-CG 3.31Å; Y238-Y245 AromaticContact CE1-CD1 3.75Å; Y238-Y245 HydrophobicContact CE1-CD1 3.75Å; Y238-Y245 HydrophobicContact CE1-CD2 4.48Å; Y238-Y245 HydrophobicContact CE1-CE1 4.27Å; Y238-Y245 AromaticContact CE1-CG 3.86Å; Y238-Y245 HydrophobicContact CE1-CG 3.86Å; Y238-Y245 HydrophobicContact CG-CD2 4.44Å; Y238-Y245 HydrophobicContact CG-CG 4.36Å
239S56.3Low64.6Low95 Ų9592.2 Ų92.266%0.66448%0.482SS*.  trans-90.711.5-179.438.30000114.4P241S239-P241 VanDerWaalsContact O-CD 3.3Å; S239-P241 WeakPolarHBondContact O-CD 3.35Å
240D60.3Low65.9Low62 Ų6287.6 Ų87.633%0.33246%0.463SS..  trans-79111.7175.8-173.8-9.3000110.6Y238 T242 K243Y238-D240 VanDerWaalsContact C-N 3.34Å; D240-T242 PolarHBondContact O-N 2.87Å; D240-T242 VanDerWaalsContact O-N 3.11Å; D240-T242 WeakPolarHBondContact OD1-CB 3.46Å; D240-T242 PolarHBondContact OD1-N 3.27Å; D240-T242 PolarHBondContact OD1-OG1 2.97Å; D240-T242 PolarHBondContact OD2-OG1 3.44Å; D240-T242 VanDerWaalsContact OD2-OG1 3.13Å; D240-K243 HydrophobicContact CB-CB 4.47Å; D240-K243 PolarHBondContact O-N 3.03Å; D240-K243 VanDerWaalsContact O-N 3.14Å
241P64.8Low67.3Low130 Ų13085.1 Ų85.184%0.84445%0.453SS*.THydrogen-bonded Turntrans-62.7-18.3179.6-16.830.2000113.3S239 K243S239-P241 VanDerWaalsContact O-CD 3.3Å; S239-P241 WeakPolarHBondContact O-CD 3.35Å; P241-K243 VanDerWaalsContact C-N 3.35Å
242T69.7Low68.5Low118 Ų11884.2 Ų84.272%0.72445%0.448SS*.THydrogen-bonded Turntrans-83.8-11.4-179.171.10000113.1D240D240-T242 PolarHBondContact O-N 2.87Å; D240-T242 VanDerWaalsContact O-N 3.11Å; D240-T242 WeakPolarHBondContact OD1-CB 3.46Å; D240-T242 PolarHBondContact OD1-N 3.27Å; D240-T242 PolarHBondContact OD1-OG1 2.97Å; D240-T242 PolarHBondContact OD2-OG1 3.44Å; D240-T242 VanDerWaalsContact OD2-OG1 3.13Å
243K67.4Low69.9Low116 Ų11685.3 Ų85.350%0.50446%0.456SS..SBendtrans-126.2118.5-177.9-67-171.9-179.5-170.10111.4D240 P241 Y245D240-K243 HydrophobicContact CB-CB 4.47Å; D240-K243 PolarHBondContact O-N 3.03Å; D240-K243 VanDerWaalsContact O-N 3.14Å; P241-K243 VanDerWaalsContact C-N 3.35Å; K243-Y245 HydrophobicContact CB-CD2 4Å; K243-Y245 HydrophobicContact CB-CE2 3.41Å; K243-Y245 VanDerWaalsContact CB-CE2 3.41Å; K243-Y245 HydrophobicContact CD-CE2 4.19Å; K243-Y245 WeakPolarHBondContact CD-OH 3.48Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 WeakPolarHBondContact O-CD2 3.45Å; K243-Y245 PolarHBondContact O-N 3.29Å
244Y72.1Confident71.1Confident170 Ų17086.6 Ų86.667%0.66745%0.451SS*.  trans-75.1116.7170.8-170-96000110E250Y244-E250 VanDerWaalsContact OH-CD 3.3Å; Y244-E250 PolarHBondContact OH-OE1 3.42Å; Y244-E250 PolarHBondContact OH-OE2 2.98Å
245Y69.9Low72.6Confident56 Ų5685 Ų8522%0.2245%0.451CS..  trans-116.6132.9172.2-64.3-80.8000110Y238 K243 T247Y238-Y245 VanDerWaalsContact CD1-CB 3.41Å; Y238-Y245 AromaticContact CD1-CD1 3.68Å; Y238-Y245 HydrophobicContact CD1-CD1 3.68Å; Y238-Y245 AromaticContact CD1-CD2 3.6Å; Y238-Y245 HydrophobicContact CD1-CD2 3.6Å; Y238-Y245 HydrophobicContact CD1-CE1 4.26Å; Y238-Y245 HydrophobicContact CD1-CE2 4.15Å; Y238-Y245 AromaticContact CD1-CG 3.31Å; Y238-Y245 HydrophobicContact CD1-CG 3.31Å; Y238-Y245 AromaticContact CE1-CD1 3.75Å; Y238-Y245 HydrophobicContact CE1-CD1 3.75Å; Y238-Y245 HydrophobicContact CE1-CD2 4.48Å; Y238-Y245 HydrophobicContact CE1-CE1 4.27Å; Y238-Y245 AromaticContact CE1-CG 3.86Å; Y238-Y245 HydrophobicContact CE1-CG 3.86Å; Y238-Y245 HydrophobicContact CG-CD2 4.44Å; Y238-Y245 HydrophobicContact CG-CG 4.36Å; K243-Y245 HydrophobicContact CB-CD2 4Å; K243-Y245 HydrophobicContact CB-CE2 3.41Å; K243-Y245 VanDerWaalsContact CB-CE2 3.41Å; K243-Y245 HydrophobicContact CD-CE2 4.19Å; K243-Y245 WeakPolarHBondContact CD-OH 3.48Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 WeakPolarHBondContact O-CD2 3.45Å; K243-Y245 PolarHBondContact O-N 3.29Å; Y245-T247 PolarHBondContact O-N 3.04Å
246P77.8Confident74.2Confident38 Ų3887.7 Ų87.725%0.24745%0.445CS..  trans-60.1135.4-178.4-23.132.7000112.4E250 Q251 M254P246-E250 WeakPolarHBondContact CA-OE2 3.47Å; P246-E250 HydrophobicContact CB-CB 3.74Å; P246-Q251 HydrophobicContact CB-CG 3.95Å; P246-Q251 PolarHBondContact O-NE2 3.27Å; P246-M254 HydrophobicContact CB-SD 4.03Å; P246-M254 HydrophobicContact CG-SD 3.81Å
247T78.3Confident75.9Confident12 Ų1292.3 Ų92.37%0.07445%0.454CS..  trans-63.7167.2172.478.30000111.4K230 Y232 Y245 E249 E250 Q251K230-T247 HydrophobicContact CB-CG2 3.87Å; K230-T247 HydrophobicContact CD-CG2 3.87Å; K230-T247 HydrophobicContact CG-CG2 3.94Å; Y232-T247 HydrophobicContact CE1-CG2 4.28Å; Y245-T247 PolarHBondContact O-N 3.04Å; T247-E249 VanDerWaalsContact CB-OE2 3.3Å; T247-E249 WeakPolarHBondContact CB-OE2 3.49Å; T247-E249 PolarHBondContact O-N 3.33Å; T247-E249 PolarHBondContact OG1-N 2.89Å; T247-E249 PolarHBondContact OG1-OE2 3.48Å; T247-E250 PolarHBondContact N-OE2 3.22Å; T247-E250 CarbonylContact O-C 3.54Å; T247-E250 PolarHBondContact O-N 3.41Å; T247-E250 VanDerWaalsContact O-N 3.1Å; T247-E250 PolarHBondContact OG1-N 2.82Å; T247-Q251 WeakPolarHBondContact O-CB 3.3Å; T247-Q251 VanDerWaalsContact O-CG 3.26Å; T247-Q251 WeakPolarHBondContact O-CG 3.37Å; T247-Q251 PolarHBondContact O-N 3.45Å
248I78.5Confident77.4Confident55 Ų5589.9 Ų89.928%0.28245%0.451SS..Hα-helixtrans-55-40.4173.6-71.4168.4000110.4N231 A233 Q251 I252N231-I248 HydrophobicContact CB-CD1 3.98Å; N231-I248 WeakPolarHBondContact O-CB 3.38Å; N231-I248 WeakPolarHBondContact O-CD1 3.23Å; N231-I248 WeakPolarHBondContact O-CG1 3.45Å; N231-I248 PolarHBondContact O-N 3Å; A233-I248 HydrophobicContact CB-CD1 4.32Å; A233-I248 HydrophobicContact CB-CG1 4.03Å; I248-Q251 PolarHBondContact O-N 2.99Å; I248-I252 HydrophobicContact CG2-CD1 3.71Å; I248-I252 HydrophobicContact CG2-CG1 4.31Å; I248-I252 WeakPolarHBondContact O-CB 3.44Å; I248-I252 WeakPolarHBondContact O-CG1 3.32Å; I248-I252 PolarHBondContact O-N 3.17Å
249E81.7Confident78.8Confident93 Ų9388.7 Ų88.744%0.43546%0.455SS..Hα-helixtrans-62.9-43.8177.3-59.274.7-160.700111.6T247 I252 E253T247-E249 VanDerWaalsContact CB-OE2 3.3Å; T247-E249 WeakPolarHBondContact CB-OE2 3.49Å; T247-E249 PolarHBondContact O-N 3.33Å; T247-E249 PolarHBondContact OG1-N 2.89Å; T247-E249 PolarHBondContact OG1-OE2 3.48Å; E249-I252 PolarHBondContact O-N 3.14Å; E249-E253 WeakPolarHBondContact O-CB 3.47Å; E249-E253 PolarHBondContact O-N 3.49Å
250E83.4Confident80.4Confident53 Ų5389.7 Ų89.725%0.24845%0.453CS..Hα-helixtrans-67.6-37.8175.5-66.4-179.8121.300112.1Y244 P246 T247 I252 E253 M254Y244-E250 VanDerWaalsContact OH-CD 3.3Å; Y244-E250 PolarHBondContact OH-OE1 3.42Å; Y244-E250 PolarHBondContact OH-OE2 2.98Å; P246-E250 WeakPolarHBondContact CA-OE2 3.47Å; P246-E250 HydrophobicContact CB-CB 3.74Å; T247-E250 PolarHBondContact N-OE2 3.22Å; T247-E250 CarbonylContact O-C 3.54Å; T247-E250 PolarHBondContact O-N 3.41Å; T247-E250 VanDerWaalsContact O-N 3.1Å; T247-E250 PolarHBondContact OG1-N 2.82Å; E250-I252 VanDerWaalsContact C-N 3.34Å; E250-E253 CarbonylContact O-C 3.46Å; E250-E253 PolarHBondContact O-N 2.88Å; E250-M254 WeakPolarHBondContact O-CB 3.46Å; E250-M254 WeakPolarHBondContact O-CG 3.34Å; E250-M254 PolarHBondContact O-N 2.88Å
251Q86.3Confident81.8Confident71 Ų7189.1 Ų89.133%0.33245%0.454SS..Hα-helixtrans-62.9-42.2174-69.8174.936.700110.9P246 T247 I248 E253 M254 A255P246-Q251 HydrophobicContact CB-CG 3.95Å; P246-Q251 PolarHBondContact O-NE2 3.27Å; T247-Q251 WeakPolarHBondContact O-CB 3.3Å; T247-Q251 VanDerWaalsContact O-CG 3.26Å; T247-Q251 WeakPolarHBondContact O-CG 3.37Å; T247-Q251 PolarHBondContact O-N 3.45Å; I248-Q251 PolarHBondContact O-N 2.99Å; Q251-E253 VanDerWaalsContact C-N 3.32Å; Q251-M254 PolarHBondContact O-N 3.31Å; Q251-A255 WeakPolarHBondContact O-CB 3.48Å; Q251-A255 PolarHBondContact O-N 3.35Å
252I86.1Confident82.8Confident73 Ų7385 Ų8537%0.37443%0.425SS..Hα-helixtrans-62.2-42.9173.4-70.6165.6000109.9I248 E249 E250 A255 R256I248-I252 HydrophobicContact CG2-CD1 3.71Å; I248-I252 HydrophobicContact CG2-CG1 4.31Å; I248-I252 WeakPolarHBondContact O-CB 3.44Å; I248-I252 WeakPolarHBondContact O-CG1 3.32Å; I248-I252 PolarHBondContact O-N 3.17Å; E249-I252 PolarHBondContact O-N 3.14Å; E250-I252 VanDerWaalsContact C-N 3.34Å; I252-A255 PolarHBondContact O-N 3.22Å; I252-R256 WeakPolarHBondContact O-CB 3.34Å; I252-R256 WeakPolarHBondContact O-CG 3.48Å; I252-R256 PolarHBondContact O-N 2.87Å
253E90.3Very high83.3Confident108 Ų10885.2 Ų85.251%0.50542%0.417SS..Hα-helixtrans-65.3-41.8177.8-161.4-174.6151.700112.1E249 E250 Q251 R256 R257E249-E253 WeakPolarHBondContact O-CB 3.47Å; E249-E253 PolarHBondContact O-N 3.49Å; E250-E253 CarbonylContact O-C 3.46Å; E250-E253 PolarHBondContact O-N 2.88Å; Q251-E253 VanDerWaalsContact C-N 3.32Å; E253-R256 PolarHBondContact O-N 3.35Å; E253-R257 WeakPolarHBondContact O-CB 3.31Å; E253-R257 PolarHBondContact O-N 2.9Å; E253-R257 IonicContact OE1-NH2 3.17Å; E253-R257 PolarHBondContact OE1-NH2 3.48Å
254M86.9Confident84Confident96 Ų9682.9 Ų82.947%0.47341%0.41SS..Hα-helixtrans-61.3-45173.2-71.9176.374.100111.2P246 E250 Q251 R257 V258P246-M254 HydrophobicContact CB-SD 4.03Å; P246-M254 HydrophobicContact CG-SD 3.81Å; E250-M254 WeakPolarHBondContact O-CB 3.46Å; E250-M254 WeakPolarHBondContact O-CG 3.34Å; E250-M254 PolarHBondContact O-N 2.88Å; Q251-M254 PolarHBondContact O-N 3.31Å; M254-R257 WeakPolarHBondContact O-CB 3.22Å; M254-R257 PolarHBondContact O-N 2.88Å; M254-V258 WeakPolarHBondContact O-CG2 3.42Å; M254-V258 PolarHBondContact O-N 2.98Å
255A88.7Confident84.6Confident60 Ų6079.1 Ų79.150%0.49641%0.406SS..Hα-helixtrans-62.5-42.817700000111.7Q251 I252 R257 V258 A259Q251-A255 WeakPolarHBondContact O-CB 3.48Å; Q251-A255 PolarHBondContact O-N 3.35Å; I252-A255 PolarHBondContact O-N 3.22Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.2Å; A255-V258 PolarHBondContact O-N 3.08Å; A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.38Å
256R92.2Very high85.3Confident167 Ų16786.7 Ų86.763%0.6344%0.436SS*.Hα-helixtrans-62-40.4173.7-74.6177.9-174.8155.51.8111.9I252 E253 A259 N260I252-R256 WeakPolarHBondContact O-CB 3.34Å; I252-R256 WeakPolarHBondContact O-CG 3.48Å; I252-R256 PolarHBondContact O-N 2.87Å; E253-R256 PolarHBondContact O-N 3.35Å; R256-A259 PolarHBondContact O-N 2.86Å; R256-N260 WeakPolarHBondContact O-CB 3.39Å; R256-N260 VanDerWaalsContact O-CG 3.25Å; R256-N260 PolarHBondContact O-N 3.26Å
257R90.6Very high85.6Confident150 Ų15087 Ų8757%0.56644%0.436SS*.Hα-helixtrans-62.7-43.7176.6-167.9179.1-62.9133.15111.8E253 M254 A255 N260 S261E253-R257 WeakPolarHBondContact O-CB 3.31Å; E253-R257 PolarHBondContact O-N 2.9Å; E253-R257 IonicContact OE1-NH2 3.17Å; E253-R257 PolarHBondContact OE1-NH2 3.48Å; M254-R257 WeakPolarHBondContact O-CB 3.22Å; M254-R257 PolarHBondContact O-N 2.88Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.2Å; R257-N260 PolarHBondContact O-N 3.13Å; R257-S261 WeakPolarHBondContact O-CB 3.49Å; R257-S261 PolarHBondContact O-N 3.48Å
258V86.4Confident85.6Confident95 Ų9592.1 Ų92.158%0.57646%0.462SS*.Hα-helixtrans-64.2-43.3174.6174.90000111M254 A255 S261 L262M254-V258 WeakPolarHBondContact O-CG2 3.42Å; M254-V258 PolarHBondContact O-N 2.98Å; A255-V258 PolarHBondContact O-N 3.08Å; V258-S261 WeakPolarHBondContact O-CB 3.49Å; V258-S261 PolarHBondContact O-N 3.18Å; V258-L262 WeakPolarHBondContact O-CG 3.33Å; V258-L262 PolarHBondContact O-N 3.13Å; V258-L262 VanDerWaalsContact O-N 3.08Å
259A87.6Confident85.8Confident44 Ų4498.8 Ų98.836%0.36449%0.492SS..Hα-helixtrans-60.9-45.7177.200000112.1A255 R256 S261 L262 H263A255-A259 WeakPolarHBondContact O-CB 3.47Å; A255-A259 PolarHBondContact O-N 3.38Å; R256-A259 PolarHBondContact O-N 2.86Å; A259-S261 VanDerWaalsContact C-N 3.31Å; A259-S261 PolarHBondContact O-N 2.9Å; A259-L262 WeakPolarHBondContact O-CB 3.45Å; A259-L262 PolarHBondContact O-N 3.16Å; A259-H263 PolarHBondContact O-CD2 3.35Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å
260N89.2Confident86Confident116 Ų11695.9 Ų95.962%0.6248%0.482SS*.Hα-helixtrans-63.5-38176.1-69.4-12.8000111.7R256 R257 L262 H263 D264R256-N260 WeakPolarHBondContact O-CB 3.39Å; R256-N260 VanDerWaalsContact O-CG 3.25Å; R256-N260 PolarHBondContact O-N 3.26Å; R257-N260 PolarHBondContact O-N 3.13Å; N260-L262 VanDerWaalsContact C-N 3.28Å; N260-L262 PolarHBondContact O-N 3.43Å; N260-H263 PolarHBondContact O-N 3.24Å; N260-H263 VanDerWaalsContact O-N 3.13Å; N260-D264 PolarHBondContact O-N 2.97Å; N260-D264 VanDerWaalsContact O-N 3.16Å
261S89.3Confident86Confident51 Ų51101.3 Ų101.336%0.35751%0.505SS..Hα-helixtrans-62.8-32.6175.61790000112.5R257 V258 A259 H263 D264 N267R257-S261 WeakPolarHBondContact O-CB 3.49Å; R257-S261 PolarHBondContact O-N 3.48Å; V258-S261 WeakPolarHBondContact O-CB 3.49Å; V258-S261 PolarHBondContact O-N 3.18Å; A259-S261 VanDerWaalsContact C-N 3.31Å; A259-S261 PolarHBondContact O-N 2.9Å; S261-H263 PolarHBondContact O-N 2.97Å; S261-D264 PolarHBondContact O-N 2.95Å; S261-N267 VanDerWaalsContact O-CB 3.32Å; S261-N267 WeakPolarHBondContact O-CB 3.44Å; S261-N267 PolarHBondContact O-ND2 3.36Å; S261-N267 PolarHBondContact OG-ND2 3.08Å; S261-N267 VanDerWaalsContact OG-ND2 3.13Å
262L85.4Confident85.9Confident44 Ų4499.6 Ų99.623%0.2351%0.506CS..Hα-helixtrans-67.6-20176-69.4172000113.6V258 A259 N260 G272 F276V258-L262 WeakPolarHBondContact O-CG 3.33Å; V258-L262 PolarHBondContact O-N 3.13Å; V258-L262 VanDerWaalsContact O-N 3.08Å; A259-L262 WeakPolarHBondContact O-CB 3.45Å; A259-L262 PolarHBondContact O-N 3.16Å; N260-L262 VanDerWaalsContact C-N 3.28Å; N260-L262 PolarHBondContact O-N 3.43Å; L262-G272 VanDerWaalsContact CD2-C 3.46Å; L262-F276 HydrophobicContact CD1-CB 4.41Å; L262-F276 HydrophobicContact CD1-CD2 4.14Å; L262-F276 HydrophobicContact CD1-CG 4.34Å; L262-F276 HydrophobicContact CD2-CB 4.37Å
263H81.4Confident85.9Confident121 Ų12196.6 Ų96.656%0.5649%0.492SS*.Hα-helixtrans-104.3-3.2178-62.9-60.4000113.6A259 N260 S261 F276A259-H263 PolarHBondContact O-CD2 3.35Å; A259-H263 VanDerWaalsContact O-CD2 3.3Å; N260-H263 PolarHBondContact O-N 3.24Å; N260-H263 VanDerWaalsContact O-N 3.13Å; S261-H263 PolarHBondContact O-N 2.97Å; H263-F276 AromaticContact CE1-CE1 3.41Å; H263-F276 VanDerWaalsContact CE1-CE1 3.41Å; H263-F276 WeakPolarHBondContact CE1-CE1 3.42Å; H263-F276 AromaticContact CE1-CZ 3.64Å
264D82.9Confident85.7Confident67 Ų6794 Ų9436%0.35849%0.485SS..  trans-67.3125.5-178.8-166.5-31.7000109.9N260 S261 Y266 N267N260-D264 PolarHBondContact O-N 2.97Å; N260-D264 VanDerWaalsContact O-N 3.16Å; S261-D264 PolarHBondContact O-N 2.95Å; D264-Y266 PolarHBondContact O-N 2.76Å; D264-Y266 VanDerWaalsContact O-N 3.07Å; D264-Y266 WeakPolarHBondContact OD1-CD2 3.48Å; D264-Y266 PolarHBondContact OD1-N 3.02Å; D264-Y266 VanDerWaalsContact OD1-N 3.08Å; D264-N267 HydrophobicContact CB-CB 4.14Å; D264-N267 PolarHBondContact O-N 3.23Å
265P83.7Confident85.7Confident91 Ų9195 Ų9559%0.59149%0.49SS*.G310 helixtrans-56.5-23.6178.722.1-34.3000113.5L268P265-L268 VanDerWaalsContact O-CD1 3.25Å; P265-L268 WeakPolarHBondContact O-CD1 3.36Å
266Y83.9Confident85.6Confident216 Ų21695.7 Ų95.785%0.84748%0.482SS*.G310 helixtrans-82.9-10176.5-59.8-76.2000113.9D264D264-Y266 PolarHBondContact O-N 2.76Å; D264-Y266 VanDerWaalsContact O-N 3.07Å; D264-Y266 WeakPolarHBondContact OD1-CD2 3.48Å; D264-Y266 PolarHBondContact OD1-N 3.02Å; D264-Y266 VanDerWaalsContact OD1-N 3.08Å
267N83.8Confident85.3Confident45 Ų4590.5 Ų90.524%0.24147%0.465CS..G310 helixtrans-109.47.7-175.9-166.837000114.1S261 D264 E269 S270 A273S261-N267 VanDerWaalsContact O-CB 3.32Å; S261-N267 WeakPolarHBondContact O-CB 3.44Å; S261-N267 PolarHBondContact O-ND2 3.36Å; S261-N267 PolarHBondContact OG-ND2 3.08Å; S261-N267 VanDerWaalsContact OG-ND2 3.13Å; D264-N267 HydrophobicContact CB-CB 4.14Å; D264-N267 PolarHBondContact O-N 3.23Å; N267-E269 PolarHBondContact O-N 2.94Å; N267-S270 PolarHBondContact ND2-OG 3.39Å; N267-S270 WeakPolarHBondContact O-CB 3.49Å; N267-S270 PolarHBondContact O-N 2.96Å; N267-S270 PolarHBondContact O-OG 3.31Å; N267-S270 WeakPolarHBondContact OD1-CB 3.25Å; N267-S270 PolarHBondContact OD1-OG 3Å; N267-S270 VanDerWaalsContact OD1-OG 3.07Å; N267-A273 VanDerWaalsContact O-CB 3.23Å; N267-A273 WeakPolarHBondContact O-CB 3.4Å
268L79.6Confident85.1Confident119 Ų11989.8 Ų89.862%0.62347%0.466SS*.THydrogen-bonded Turntrans-57-32.6-177.5-75.5161.3000113.6P265 S270P265-L268 VanDerWaalsContact O-CD1 3.25Å; P265-L268 WeakPolarHBondContact O-CD1 3.36Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 2.87Å
269E82.3Confident85.1Confident195 Ų19591.1 Ų91.191%0.91147%0.466SS*.THydrogen-bonded Turntrans-81.2-8.3-179.1-62.3-172.2164.600113.4N267N267-E269 PolarHBondContact O-N 2.94Å
270S85.2Confident85Confident32 Ų3295.5 Ų95.522%0.22447%0.473CS..SBendtrans-67.8147.2179.672.50000112N267 L268 G272 A273 C274N267-S270 PolarHBondContact ND2-OG 3.39Å; N267-S270 WeakPolarHBondContact O-CB 3.49Å; N267-S270 PolarHBondContact O-N 2.96Å; N267-S270 PolarHBondContact O-OG 3.31Å; N267-S270 WeakPolarHBondContact OD1-CB 3.25Å; N267-S270 PolarHBondContact OD1-OG 3Å; N267-S270 VanDerWaalsContact OD1-OG 3.07Å; L268-S270 VanDerWaalsContact C-N 3.3Å; L268-S270 PolarHBondContact O-N 2.87Å; S270-G272 PolarHBondContact O-N 3.33Å; S270-A273 PolarHBondContact O-N 2.81Å; S270-A273 WeakPolarHBondContact OG-CB 3.41Å; S270-A273 PolarHBondContact OG-N 3.5Å; S270-A273 VanDerWaalsContact OG-N 3.11Å; S270-C274 PolarHBondContact O-N 3.33Å
271K84.9Confident84.8Confident167 Ų16794.9 Ų94.973%0.72647%0.467SS*.Hα-helixtrans-54.4-35.8172.9-174.6176.5-179.5178.40112M275K271-M275 HydrophobicContact CG-SD 4.19Å; K271-M275 VanDerWaalsContact O-CB 3.31Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 VanDerWaalsContact O-CG 3.27Å; K271-M275 WeakPolarHBondContact O-CG 3.08Å; K271-M275 PolarHBondContact O-N 3.48Å
272G84.4Confident84.6Confident35 Ų3599.8 Ų99.836%0.36148%0.477SS..Hα-helixtrans-63.1-51.9176.800000112.3L262 S270 M275 F276L262-G272 VanDerWaalsContact CD2-C 3.46Å; S270-G272 PolarHBondContact O-N 3.33Å; G272-M275 PolarHBondContact O-N 3.3Å; G272-F276 WeakPolarHBondContact O-CB 3.32Å; G272-F276 PolarHBondContact O-N 3.07Å
273A86Confident84.3Confident9 Ų999.8 Ų99.87%0.07448%0.483CS..Hα-helixtrans-62-44.6177.100000111.8N267 S270 M275 F276 E277N267-A273 VanDerWaalsContact O-CB 3.23Å; N267-A273 WeakPolarHBondContact O-CB 3.4Å; S270-A273 PolarHBondContact O-N 2.81Å; S270-A273 WeakPolarHBondContact OG-CB 3.41Å; S270-A273 PolarHBondContact OG-N 3.5Å; S270-A273 VanDerWaalsContact OG-N 3.11Å; A273-M275 PolarHBondContact O-N 2.91Å; A273-F276 PolarHBondContact O-N 3.07Å; A273-E277 WeakPolarHBondContact O-CB 3.23Å; A273-E277 PolarHBondContact O-N 3.11Å
274C85.6Confident84Confident53 Ų53101.5 Ų101.536%0.35849%0.492SS..Hα-helixtrans-61.8-40.7177-175.50000112.7S270 K278S270-C274 PolarHBondContact O-N 3.33Å; C274-K278 WeakPolarHBondContact O-CG 3.5Å; C274-K278 PolarHBondContact O-N 3.49Å; C274-K278 VanDerWaalsContact O-N 3.08Å
275M85.9Confident83.6Confident118 Ų118106.7 Ų106.758%0.58151%0.511SS*.Hα-helixtrans-66.9-42.3175.1-79.6-179.251.400112K271 G272 A273 E277 K278 Q279K271-M275 HydrophobicContact CG-SD 4.19Å; K271-M275 VanDerWaalsContact O-CB 3.31Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 VanDerWaalsContact O-CG 3.27Å; K271-M275 WeakPolarHBondContact O-CG 3.08Å; K271-M275 PolarHBondContact O-N 3.48Å; G272-M275 PolarHBondContact O-N 3.3Å; A273-M275 PolarHBondContact O-N 2.91Å; M275-E277 VanDerWaalsContact C-N 3.34Å; M275-E277 PolarHBondContact O-N 2.79Å; M275-K278 PolarHBondContact O-N 3.43Å; M275-Q279 WeakPolarHBondContact O-CB 3.38Å; M275-Q279 PolarHBondContact O-N 3.3Å
276F87.8Confident82.7Confident74 Ų74108.7 Ų108.733%0.32551%0.513SS..Hα-helixtrans-59.1-45.3175.8176.8-97.4000111.2L262 H263 G272 A273 Q279 R280L262-F276 HydrophobicContact CD1-CB 4.41Å; L262-F276 HydrophobicContact CD1-CD2 4.14Å; L262-F276 HydrophobicContact CD1-CG 4.34Å; L262-F276 HydrophobicContact CD2-CB 4.37Å; H263-F276 AromaticContact CE1-CE1 3.41Å; H263-F276 VanDerWaalsContact CE1-CE1 3.41Å; H263-F276 WeakPolarHBondContact CE1-CE1 3.42Å; H263-F276 AromaticContact CE1-CZ 3.64Å; G272-F276 WeakPolarHBondContact O-CB 3.32Å; G272-F276 PolarHBondContact O-N 3.07Å; A273-F276 PolarHBondContact O-N 3.07Å; F276-Q279 PolarHBondContact O-N 3.4Å; F276-R280 WeakPolarHBondContact O-CB 3.42Å; F276-R280 PolarHBondContact O-N 2.85Å
277E85Confident81.7Confident59 Ų59103 Ų10328%0.27650%0.5SS..Hα-helixtrans-63.6-44.3178.5-172.553.9-141.400112.3A273 M275 Q279 R280 Q281A273-E277 WeakPolarHBondContact O-CB 3.23Å; A273-E277 PolarHBondContact O-N 3.11Å; M275-E277 VanDerWaalsContact C-N 3.34Å; M275-E277 PolarHBondContact O-N 2.79Å; E277-Q279 VanDerWaalsContact C-N 3.29Å; E277-Q279 PolarHBondContact O-N 3.05Å; E277-R280 WeakPolarHBondContact O-CB 3.26Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-CZ 3.18Å; E277-R280 IonicContact OE1-NE 3.1Å; E277-R280 PolarHBondContact OE1-NE 2.8Å; E277-R280 IonicContact OE1-NH2 2.73Å; E277-R280 PolarHBondContact OE1-NH2 3.45Å; E277-R280 IonicContact OE2-CZ 3.3Å; E277-R280 IonicContact OE2-NE 3.96Å; E277-R280 PolarHBondContact OE2-NE 3.45Å; E277-R280 VanDerWaalsContact OE2-NE 3.14Å; E277-R280 IonicContact OE2-NH1 3.65Å; E277-R280 IonicContact OE2-NH2 3.75Å; E277-R280 PolarHBondContact OE2-NH2 3.11Å; E277-Q281 WeakPolarHBondContact O-CG 3.42Å; E277-Q281 PolarHBondContact O-N 3.44Å; E277-Q281 PolarHBondContact OE1-NE2 2.84Å; E277-Q281 VanDerWaalsContact OE1-NE2 3.15Å
278K87.4Confident80.5Confident135 Ų135110.1 Ų110.159%0.58753%0.529SS*.Hα-helixtrans-61-38.9173.8-74.9171.5-179.2167.40112C274 M275 R282C274-K278 WeakPolarHBondContact O-CG 3.5Å; C274-K278 PolarHBondContact O-N 3.49Å; C274-K278 VanDerWaalsContact O-N 3.08Å; M275-K278 PolarHBondContact O-N 3.43Å; K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.09Å
279Q85.6Confident79.3Confident123 Ų123113 Ų11358%0.57554%0.539SS*.Hα-helixtrans-69.2-39.7178.2-163.969.429.400111.1M275 F276 E277 R282 A283M275-Q279 WeakPolarHBondContact O-CB 3.38Å; M275-Q279 PolarHBondContact O-N 3.3Å; F276-Q279 PolarHBondContact O-N 3.4Å; E277-Q279 VanDerWaalsContact C-N 3.29Å; E277-Q279 PolarHBondContact O-N 3.05Å; Q279-R282 PolarHBondContact O-N 2.86Å; Q279-A283 WeakPolarHBondContact O-CB 3.45Å; Q279-A283 PolarHBondContact O-N 3.05Å
280R86.3Confident78.2Confident136 Ų136106.3 Ų106.351%0.51352%0.522SS..Hα-helixtrans-59.4-51.1174.6-171.7177.673159.84.3111.5F276 E277 R282 A283 E284F276-R280 WeakPolarHBondContact O-CB 3.42Å; F276-R280 PolarHBondContact O-N 2.85Å; E277-R280 WeakPolarHBondContact O-CB 3.26Å; E277-R280 PolarHBondContact O-N 3.21Å; E277-R280 IonicContact OE1-CZ 3.18Å; E277-R280 IonicContact OE1-NE 3.1Å; E277-R280 PolarHBondContact OE1-NE 2.8Å; E277-R280 IonicContact OE1-NH2 2.73Å; E277-R280 PolarHBondContact OE1-NH2 3.45Å; E277-R280 IonicContact OE2-CZ 3.3Å; E277-R280 IonicContact OE2-NE 3.96Å; E277-R280 PolarHBondContact OE2-NE 3.45Å; E277-R280 VanDerWaalsContact OE2-NE 3.14Å; E277-R280 IonicContact OE2-NH1 3.65Å; E277-R280 IonicContact OE2-NH2 3.75Å; E277-R280 PolarHBondContact OE2-NH2 3.11Å; R280-R282 VanDerWaalsContact C-N 3.26Å; R280-R282 PolarHBondContact O-N 3.33Å; R280-A283 WeakPolarHBondContact O-CB 3.45Å; R280-A283 PolarHBondContact O-N 3.04Å; R280-A283 VanDerWaalsContact O-N 3.14Å; R280-E284 PolarHBondContact O-N 3.16Å
281Q84.9Confident77.1Confident103 Ų103111 Ų11148%0.48155%0.551SS.*Hα-helixtrans-62.3-31.7176.6-67.9173.215.700113E277E277-Q281 WeakPolarHBondContact O-CG 3.42Å; E277-Q281 PolarHBondContact O-N 3.44Å; E277-Q281 PolarHBondContact OE1-NE2 2.84Å; E277-Q281 VanDerWaalsContact OE1-NE2 3.15Å
282R84.7Confident75.7Confident153 Ų153111.4 Ų111.458%0.57756%0.556SS**Hα-helixtrans-76.1-38.3175-170.6176.9-175.9175.23.8111.6K278 Q279 R280 E284 K285 H286K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.09Å; Q279-R282 PolarHBondContact O-N 2.86Å; R280-R282 VanDerWaalsContact C-N 3.26Å; R280-R282 PolarHBondContact O-N 3.33Å; R282-E284 VanDerWaalsContact C-N 3.31Å; R282-K285 WeakPolarHBondContact O-CB 3.1Å; R282-K285 PolarHBondContact O-N 3.49Å; R282-K285 VanDerWaalsContact O-N 3.11Å; R282-H286 PolarHBondContact O-N 2.99Å; R282-H286 PolarHBondContact O-ND1 3.32Å
283A79.9Confident74.5Confident44 Ų44115.5 Ų115.536%0.36458%0.576SS.*Hα-helixtrans-61.2-43177.600000110.4Q279 R280 K285 H286 V287Q279-A283 WeakPolarHBondContact O-CB 3.45Å; Q279-A283 PolarHBondContact O-N 3.05Å; R280-A283 WeakPolarHBondContact O-CB 3.45Å; R280-A283 PolarHBondContact O-N 3.04Å; R280-A283 VanDerWaalsContact O-N 3.14Å; A283-K285 PolarHBondContact O-N 3.09Å; A283-K285 VanDerWaalsContact O-N 3.09Å; A283-H286 CarbonylContact O-C 3.6Å; A283-H286 PolarHBondContact O-N 3.33Å; A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.27Å
284E73.6Confident73.1Confident158 Ų158123 Ų12374%0.73861%0.61SS**Hα-helixtrans-57-27.1174.9-161.5171.9-164.700113.2R280 R282R280-E284 PolarHBondContact O-N 3.16Å; R282-E284 VanDerWaalsContact C-N 3.31Å
285K74.8Confident71.7Confident176 Ų176125.6 Ų125.677%0.76563%0.626SS**Hα-helixtrans-81.1-20.1173.9-63.4-179.8-177.6-1770114.6R282 A283R282-K285 WeakPolarHBondContact O-CB 3.1Å; R282-K285 PolarHBondContact O-N 3.49Å; R282-K285 VanDerWaalsContact O-N 3.11Å; A283-K285 PolarHBondContact O-N 3.09Å; A283-K285 VanDerWaalsContact O-N 3.09Å
286H64.9Low70.2Confident133 Ų133124.9 Ų124.962%0.61662%0.624SS**Hα-helixtrans-110.2-18.1-175.9-63.575.4000112.8R282 A283 K288R282-H286 PolarHBondContact O-N 2.99Å; R282-H286 PolarHBondContact O-ND1 3.32Å; A283-H286 CarbonylContact O-C 3.6Å; A283-H286 PolarHBondContact O-N 3.33Å; H286-K288 VanDerWaalsContact C-N 3.31Å; H286-K288 PolarHBondContact O-N 2.93Å; H286-K288 VanDerWaalsContact O-N 3.12Å
287V62.9Low68.6Low95 Ų95125.6 Ų125.658%0.57664%0.637SS**  trans-78.688.1164.2-178.70000106A283 E289A283-V287 WeakPolarHBondContact O-CG2 3.29Å; A283-V287 PolarHBondContact O-N 3.27Å; V287-E289 PolarHBondContact O-N 2.95Å; V287-E289 VanDerWaalsContact O-N 3.15Å
288K58.8Low67.2Low195 Ų195128.2 Ų128.285%0.84865%0.651SS**  trans-63.1110.2150.6-77.6-178.6175.3-175.10104.3H286 G290H286-K288 VanDerWaalsContact C-N 3.31Å; H286-K288 PolarHBondContact O-N 2.93Å; H286-K288 VanDerWaalsContact O-N 3.12Å; K288-G290 PolarHBondContact O-N 3.49Å
289E54.5Low65.7Low181 Ų181129.8 Ų129.885%0.84666%0.661SS**  trans-44.5112.5165.6-77177153.400107V287V287-E289 PolarHBondContact O-N 2.95Å; V287-E289 VanDerWaalsContact O-N 3.15Å
290G58.7Low64.4Low53 Ų53131.5 Ų131.555%0.54667%0.673SS.*  trans-57.4151.115800000106.9K288 E292K288-G290 PolarHBondContact O-N 3.49Å; G290-E292 PolarHBondContact O-N 3.24Å; G290-E292 VanDerWaalsContact O-N 3.12Å
291P61.5Low62.6Low130 Ų130126.1 Ų126.184%0.84466%0.658SS**  trans-46.3128.4178.520.1-31000108.6
292E55.8Low61.7Low176 Ų176123.6 Ų123.682%0.82265%0.652SS**  trans-39.6129.3174.2-113.9-177.8164.700107.6G290 Q294G290-E292 PolarHBondContact O-N 3.24Å; G290-E292 VanDerWaalsContact O-N 3.12Å; E292-Q294 VanDerWaalsContact C-N 3.35Å; E292-Q294 PolarHBondContact O-N 3.41Å
293P59.3Low60.6Low122 Ų122121.8 Ų121.879%0.79266%0.66SS**  trans-55.9107.7175.721.4-28.6000106.5
294Q57.4Low59.7Low167 Ų167126.8 Ų126.878%0.7868%0.676SS**PPolyproline II helixtrans-54.9127.3171.7-87.1-160-30.600105.6E292 D296E292-Q294 VanDerWaalsContact C-N 3.35Å; E292-Q294 PolarHBondContact O-N 3.41Å; Q294-D296 PolarHBondContact O-N 2.84Å; Q294-D296 VanDerWaalsContact O-N 3.09Å
295P57.1Low59Low106 Ų106124.9 Ų124.969%0.68867%0.666SS**PPolyproline II helixtrans-53.7123.8174.919.5-28.9000107.5P297P295-P297 WeakPolarHBondContact O-CD 3.05Å; P295-P297 VanDerWaalsContact O-N 3.13Å
296D52.6Low58.3Low103 Ų103121.2 Ų121.255%0.55166%0.655SS**PPolyproline II helixtrans-53.1122.5-178.4-82.9-29.1000107.7Q294 I298 E299Q294-D296 PolarHBondContact O-N 2.84Å; Q294-D296 VanDerWaalsContact O-N 3.09Å; D296-I298 PolarHBondContact O-N 3.18Å; D296-E299 PolarHBondContact O-N 3.17Å
297P55Low58.2Low90 Ų90122.3 Ų122.358%0.58466%0.66SS**THydrogen-bonded Turntrans-58.1-6.7178.2-24.933.8000113.9P295 A301P295-P297 WeakPolarHBondContact O-CD 3.05Å; P295-P297 VanDerWaalsContact O-N 3.13Å; P297-A301 WeakPolarHBondContact O-CB 3.41Å; P297-A301 PolarHBondContact O-N 2.94Å
298I56.6Low58.2Low113 Ų113127.3 Ų127.358%0.57967%0.67SS**THydrogen-bonded Turntrans-80.8-24.9179.5-45.1177.5000111.4D296 L300 L306D296-I298 PolarHBondContact O-N 3.18Å; I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.17Å; I298-L306 HydrophobicContact CG2-CD1 3.91Å
299E55.5Low57.8Low168 Ų168124.1 Ų124.179%0.78566%0.66SS**SBendtrans-77.8-11.3-179.3-68.1-163.516200113.7D296D296-E299 PolarHBondContact O-N 3.17Å
300L57.4Low58.3Low159 Ų159119.6 Ų119.683%0.83265%0.653SS**SBendtrans-120.41.9176.5-84.6137000113.6I298I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.17Å
301A49.7Very low58.9Low24 Ų24122.6 Ų122.620%0.19866%0.663CS.*  trans-73.9129.7-176.900000111.5P297 E305 L306P297-A301 WeakPolarHBondContact O-CB 3.41Å; P297-A301 PolarHBondContact O-N 2.94Å; A301-E305 HydrophobicContact CB-CB 4.46Å; A301-L306 HydrophobicContact CB-CD1 3.75Å
302S64.6Low58.9Low50 Ų50122.5 Ų122.535%0.3566%0.662SS.*  trans-57.9145.1167.8174.20000109.8E304 E305 L306S302-E304 PolarHBondContact O-N 2.91Å; S302-E305 PolarHBondContact N-OE2 3.19Å; S302-E305 PolarHBondContact O-N 3.33Å; S302-L306 PolarHBondContact O-N 2.93Å
303P61.9Low59.5Low115 Ų115123.2 Ų123.275%0.74767%0.666SS**THydrogen-bonded Turntrans-50.7-27.2175.2-26.934.1000114.2
304E62.2Low60Low149 Ų149121.3 Ų121.370%0.69666%0.661SS**THydrogen-bonded Turntrans-79.3-24.6176.8-73.5170.9155.100113.8S302 Y308S302-E304 PolarHBondContact O-N 2.91Å; E304-Y308 WeakPolarHBondContact O-CD2 3.44Å
305E58.9Low60.7Low117 Ų117118.8 Ų118.855%0.54766%0.659SS.*THydrogen-bonded Turntrans-79.6-27.4174.5-75.3175.5137.100111.5A301 S302 E307 Y308 M309A301-E305 HydrophobicContact CB-CB 4.46Å; S302-E305 PolarHBondContact N-OE2 3.19Å; S302-E305 PolarHBondContact O-N 3.33Å; E305-E307 VanDerWaalsContact C-N 3.25Å; E305-E307 PolarHBondContact O-N 3.37Å; E305-Y308 PolarHBondContact O-N 3.17Å; E305-M309 WeakPolarHBondContact O-CG 3.21Å
306L59.2Low61.7Low99 Ų99119.3 Ų119.352%0.51866%0.662SS.*THydrogen-bonded Turntrans-66.6-23.2177-129.888.4000113.6I298 A301 S302I298-L306 HydrophobicContact CG2-CD1 3.91Å; A301-L306 HydrophobicContact CB-CD1 3.75Å; S302-L306 PolarHBondContact O-N 2.93Å
307E63.6Low62.9Low156 Ų156119.8 Ų119.873%0.72967%0.671SS**THydrogen-bonded Turntrans-82.8-16.7-176.1-163.2169.7-175.700113.1E305E305-E307 VanDerWaalsContact C-N 3.25Å; E305-E307 PolarHBondContact O-N 3.37Å
308Y61.4Low63.7Low200 Ų200121 Ų12178%0.78468%0.679SS**THydrogen-bonded Turntrans-114.6-1.5-177.6-65.2-78.2000114.8E304 E305 A310E304-Y308 WeakPolarHBondContact O-CD2 3.44Å; E305-Y308 PolarHBondContact O-N 3.17Å; Y308-A310 PolarHBondContact O-N 3.46Å
309M52Low64.7Low128 Ų128121 Ų12163%0.63169%0.686SS**  trans-83.4105.1177.3-71.5-163.385.200111.5E305E305-M309 WeakPolarHBondContact O-CG 3.21Å
310A64.5Low65.5Low86 Ų86118.4 Ų118.471%0.71168%0.684SS**PPolyproline II helixtrans-61134.8166.300000109.7Y308Y308-A310 PolarHBondContact O-N 3.46Å
311P70.6Confident66.1Low117 Ų117116.2 Ų116.276%0.7668%0.679SS**PPolyproline II helixtrans-55138.2176.5-22.831.5000110.7E313P311-E313 PolarHBondContact O-N 2.92Å
312P62.6Low66.7Low127 Ų127120.2 Ų120.283%0.82570%0.703SS**PPolyproline II helixtrans-58.4129.8175.624-31.9000109.5A314P312-A314 PolarHBondContact O-N 2.82Å
313E67.5Low66.3Low191 Ų191122.6 Ų122.689%0.89372%0.717SS**PPolyproline II helixtrans-57.3129.5178.3-162.9171.8-171.900109.1P311P311-E313 PolarHBondContact O-N 2.92Å
314A68.9Low66Low83 Ų83122.4 Ų122.469%0.68672%0.718SS**PPolyproline II helixtrans-54.8136.6-176.300000110P312P312-A314 PolarHBondContact O-N 2.82Å
315P73.7Confident65.5Low114 Ų114123.8 Ų123.874%0.7472%0.723SS**PPolyproline II helixtrans-56.5139.3176.723.1-32000109.4
316P76.8Confident64.7Low116 Ų116124.2 Ų124.275%0.75374%0.736SS**PPolyproline II helixtrans-57.6144.8-178.422.9-32.7000110.2
317P77.8Confident63.8Low114 Ų114122.6 Ų122.674%0.7474%0.742SS**PPolyproline II helixtrans-56.5143.3178.923.6-32.9000110
318P73.3Confident62.9Low115 Ų115123 Ų12375%0.74775%0.749SS**PPolyproline II helixtrans-56.8141.8177.323.6-32.3000109.6
319P75.6Confident62.2Low114 Ų114121.3 Ų121.374%0.7475%0.748SS**PPolyproline II helixtrans-56.8145179.323.1-32.3000110
320P72.9Confident61.8Low113 Ų113121.5 Ų121.573%0.73476%0.759SS**PPolyproline II helixtrans-54.7144.4176.822.9-32.2000109.6
321P69.4Low60.7Low112 Ų112121.3 Ų121.373%0.72775%0.749SS**PPolyproline II helixtrans-53.3139.5176.822.8-32.1000109.1
322P63.8Low59.5Low109 Ų109126 Ų12671%0.70876%0.758SS**PPolyproline II helixtrans-53.6140.9179.722.9-32.9000109S324P322-S324 PolarHBondContact O-N 3.47Å
323P56.4Low58.6Low100 Ų100128 Ų12865%0.64975%0.753SS**PPolyproline II helixtrans-54118.8178.621.6-31.1000108F325P323-F325 PolarHBondContact O-N 2.84Å
324S54.6Low57.3Low110 Ų110124.2 Ų124.277%0.76975%0.745SS**SBendtrans-56.3109.9165.7-750000105.8P322P322-S324 PolarHBondContact O-N 3.47Å
325F51.8Low56Low179 Ų179127.2 Ų127.279%0.78575%0.754SS**  trans78.190.3-179.9-54.2-86000117.6P323 G327P323-F325 PolarHBondContact O-N 2.84Å; F325-G327 PolarHBondContact O-N 3.42Å
326P42Very low55Low126 Ų126128.7 Ų128.782%0.81876%0.755SS**THydrogen-bonded Turntrans-71.498.1146.7-6.223.9000107.8
327G41.4Very low53.6Low64 Ų64128.3 Ų128.366%0.6675%0.752SS**THydrogen-bonded Turntrans174.9-7.7176.900000119.4F325F325-G327 PolarHBondContact O-N 3.42Å
328L43.8Very low52.3Low165 Ų165128 Ų12886%0.86475%0.753SS**  trans-115.668.3178-64.9175.6000110.8
329Q46.7Very low51.3Low164 Ų164127.9 Ų127.977%0.76675%0.752SS**  trans-66.1138.1157.5-74.9-178.1-9.900108.7T331Q329-T331 HydrophobicContact CB-CG2 4.41Å; Q329-T331 PolarHBondContact O-N 2.96Å
330P44Very low50.5Low132 Ų132127.8 Ų127.886%0.85775%0.751SS**  trans-75.372.4174.631.4-31.9000109.3K332P330-K332 PolarHBondContact O-N 2.94Å
331T41.4Very low49.8Very low83 Ų83128.1 Ų128.151%0.50975%0.754SS.*  trans-74.7115.3167.259.30000107.5Q329 K333Q329-T331 HydrophobicContact CB-CG2 4.41Å; Q329-T331 PolarHBondContact O-N 2.96Å; T331-K333 PolarHBondContact O-N 3.25Å
332K44.9Very low49Very low216 Ų216130.8 Ų130.894%0.93976%0.758SS**  trans-41.297.5164.9-62.3175179.5178.30109.3P330P330-K332 PolarHBondContact O-N 2.94Å
333K43.2Very low48.4Very low169 Ų169132.3 Ų132.374%0.73577%0.766SS**  trans-106.1142.5172.6-84-179.1179.4176.40108.4T331 V335T331-K333 PolarHBondContact O-N 3.25Å; K333-V335 PolarHBondContact O-N 3.39Å
334P39.9Very low48Very low111 Ų111134.3 Ų134.372%0.72177%0.765SS**  trans-58.1139.5-176.2-14.227.4000109.7I336P334-I336 PolarHBondContact O-N 2.74Å
335V42.2Very low48.1Very low145 Ų145132.6 Ų132.688%0.87976%0.757SS**  trans-61.497.6175.5178.40000108.3K333K333-V335 PolarHBondContact O-N 3.39Å
336I52.5Low47.8Very low146 Ų146130.7 Ų130.775%0.74976%0.763SS**PPolyproline II helixtrans-84.4124.9165.1-58.9169.6000105.4P334 S338P334-I336 PolarHBondContact O-N 2.74Å; I336-S338 PolarHBondContact O-N 3.44Å
337P49Very low48.7Very low107 Ų107127.5 Ų127.570%0.69575%0.753SS**PPolyproline II helixtrans-61.9127.217924.8-31.2000109.2
338S50.4Low49.3Very low108 Ų108131.1 Ų131.176%0.75575%0.752SS**PPolyproline II helixtrans-55.2131.3173.544.70000110I336I336-S338 PolarHBondContact O-N 3.44Å
339P50.8Low49.8Very low113 Ų113125.3 Ų125.373%0.73473%0.725SS**PPolyproline II helixtrans-59.8148174.725.5-32.7000110
340P59.7Low50.6Low112 Ų112125.3 Ų125.373%0.72772%0.722SS**PPolyproline II helixtrans-58143-178.323.1-32.2000110.6M342P340-M342 PolarHBondContact O-N 2.93Å
341P56.9Low52Low120 Ų120122.7 Ų122.778%0.77970%0.703SS**PPolyproline II helixtrans-60.5127.6-179.925-31.5000109T343P341-T343 PolarHBondContact O-N 3.15Å; P341-T343 VanDerWaalsContact O-N 3.15Å
342M53.2Low53.4Low168 Ų168123.6 Ų123.683%0.82871%0.709SS**PPolyproline II helixtrans-55.1123.8170.6-63.6-177.2-144.600108P340 F344P340-M342 PolarHBondContact O-N 2.93Å; M342-F344 WeakPolarHBondContact O-CD2 3.33Å; M342-F344 PolarHBondContact O-N 2.82Å
343T50.6Low54.6Low140 Ų140119.7 Ų119.786%0.85969%0.694SS**  trans-6698176.743.70000108.3P341 A345P341-T343 PolarHBondContact O-N 3.15Å; P341-T343 VanDerWaalsContact O-N 3.15Å; T343-A345 PolarHBondContact O-N 3.47Å
344F49Very low55.8Low143 Ų143114.7 Ų114.763%0.62767%0.673SS**  trans-61.4121.3168.8-71.4-82.8000108.2M342M342-F344 WeakPolarHBondContact O-CD2 3.33Å; M342-F344 PolarHBondContact O-N 2.82Å
345A57.5Low57.2Low73 Ų73114.9 Ų114.960%0.60366%0.663SS**  trans-54.414117000000109.5T343 G347T343-A345 PolarHBondContact O-N 3.47Å; A345-G347 PolarHBondContact O-N 2.91Å
346P45Very low58.5Low140 Ų140111.8 Ų111.891%0.90964%0.641SS**THydrogen-bonded Turntrans-63.6107.4-174.124.3-30.4000109.8
347G60.2Low59.2Low59 Ų59110.4 Ų110.461%0.60863%0.631SS**THydrogen-bonded Turntrans144.8-18.7172.800000117.7A345 K358A345-G347 PolarHBondContact O-N 2.91Å; G347-K358 PolarHBondContact O-NZ 2.78Å
348Q53.9Low59.9Low139 Ų139109 Ų10965%0.6562%0.615SS**  trans-80.7132.5-178.4-91.1-160.4-51.100113.3
349P55Low60.5Low44 Ų44108.1 Ų108.129%0.28660%0.6SS.*  trans-66.5134.6173.625.7-28.8000111E354 F355 K358P349-E354 HydrophobicContact CB-CB 3.95Å; P349-E354 HydrophobicContact CB-CG 4.01Å; P349-F355 HydrophobicContact CB-CB 4.37Å; P349-F355 HydrophobicContact CG-CB 4.14Å; P349-F355 HydrophobicContact CG-CD2 4.12Å; P349-K358 HydrophobicContact CB-CD 4.22Å; P349-K358 HydrophobicContact CG-CD 4.3Å
350K63.4Low60.9Low163 Ų163111 Ų11171%0.70960%0.601SS**SBendtrans-87.7-7-176.2-64.3171.5-180174.80113E354K350-E354 WeakPolarHBondContact CB-OE2 3.31Å; K350-E354 PolarHBondContact N-OE2 3.26Å
351T73.8Confident60.7Low77 Ų77111.5 Ų111.547%0.47260%0.597SS.*SBendtrans-149.8152.6-175.9-98.60000112.2Q353 E354 F355T351-Q353 VanDerWaalsContact C-N 3.29Å; T351-Q353 HydrophobicContact CG2-CB 3.63Å; T351-Q353 VanDerWaalsContact CG2-N 3.28Å; T351-Q353 PolarHBondContact O-N 3Å; T351-E354 HydrophobicContact CG2-CB 4.49Å; T351-E354 CarbonylContact O-C 3.56Å; T351-E354 WeakPolarHBondContact O-CA 3.5Å; T351-E354 WeakPolarHBondContact O-CB 3.46Å; T351-E354 PolarHBondContact O-N 2.85Å; T351-F355 PolarHBondContact O-N 3.49Å
352V70.5Confident60.5Low103 Ų103112.8 Ų112.862%0.62459%0.59SS**Hα-helixtrans-60.5-38177.9178.20000111.2F355 L356V352-F355 PolarHBondContact O-N 3.12Å; V352-L356 HydrophobicContact CG1-CD1 3.64Å; V352-L356 WeakPolarHBondContact O-CB 3.36Å; V352-L356 WeakPolarHBondContact O-CD1 3.47Å; V352-L356 PolarHBondContact O-N 2.91Å
353Q69.2Low60.7Low134 Ų134109.2 Ų109.263%0.62658%0.58SS**Hα-helixtrans-59.4-43.2168.5-90.884.3-10.900112.8T351 F355 L356 E357T351-Q353 VanDerWaalsContact C-N 3.29Å; T351-Q353 HydrophobicContact CG2-CB 3.63Å; T351-Q353 VanDerWaalsContact CG2-N 3.28Å; T351-Q353 PolarHBondContact O-N 3Å; Q353-F355 VanDerWaalsContact C-N 3.31Å; Q353-F355 PolarHBondContact O-N 3.01Å; Q353-L356 CarbonylContact O-C 3.6Å; Q353-L356 PolarHBondContact O-N 3.13Å; Q353-L356 VanDerWaalsContact O-N 3.15Å; Q353-E357 WeakPolarHBondContact O-CB 3.46Å; Q353-E357 WeakPolarHBondContact O-CG 3.19Å; Q353-E357 PolarHBondContact O-N 3.33Å
354E68.9Low61.4Low64 Ų64112 Ų11230%0.29958%0.58SS.*Hα-helixtrans-69.6-32.3-179.9-159.6-169.6161.900111.2P349 K350 T351 K358P349-E354 HydrophobicContact CB-CB 3.95Å; P349-E354 HydrophobicContact CB-CG 4.01Å; K350-E354 WeakPolarHBondContact CB-OE2 3.31Å; K350-E354 PolarHBondContact N-OE2 3.26Å; T351-E354 HydrophobicContact CG2-CB 4.49Å; T351-E354 CarbonylContact O-C 3.56Å; T351-E354 WeakPolarHBondContact O-CA 3.5Å; T351-E354 WeakPolarHBondContact O-CB 3.46Å; T351-E354 PolarHBondContact O-N 2.85Å; E354-K358 WeakPolarHBondContact O-CB 3.38Å; E354-K358 WeakPolarHBondContact O-CG 3.27Å; E354-K358 PolarHBondContact O-N 2.88Å
355F68.8Low62.1Low114 Ų114109.7 Ų109.750%0.557%0.574SS.*Hα-helixtrans-64.8-51167.2-178.8-104.4000110.3P349 T351 V352 Q353 E357 K358 I359P349-F355 HydrophobicContact CB-CB 4.37Å; P349-F355 HydrophobicContact CG-CB 4.14Å; P349-F355 HydrophobicContact CG-CD2 4.12Å; T351-F355 PolarHBondContact O-N 3.49Å; V352-F355 PolarHBondContact O-N 3.12Å; Q353-F355 VanDerWaalsContact C-N 3.31Å; Q353-F355 PolarHBondContact O-N 3.01Å; F355-E357 VanDerWaalsContact C-N 3.33Å; F355-E357 PolarHBondContact O-N 3.39Å; F355-K358 WeakPolarHBondContact O-CB 3.42Å; F355-K358 PolarHBondContact O-N 3.06Å; F355-K358 VanDerWaalsContact O-N 3.12Å; F355-I359 HydrophobicContact CD1-CD1 3.63Å; F355-I359 HydrophobicContact CD1-CG1 4.12Å; F355-I359 HydrophobicContact CE1-CD1 3.41Å; F355-I359 VanDerWaalsContact CE1-CD1 3.41Å; F355-I359 HydrophobicContact CE1-CG1 4.09Å; F355-I359 HydrophobicContact CG-CD1 4.49Å; F355-I359 HydrophobicContact CZ-CD1 4.13Å; F355-I359 HydrophobicContact CZ-CG1 4.47Å; F355-I359 WeakPolarHBondContact O-CG1 2.86Å; F355-I359 PolarHBondContact O-N 3.12Å
356L69.2Low62.6Low80 Ų80111.3 Ų111.342%0.41957%0.572SS.*Hα-helixtrans-59.5-38.5178.4-96.684.5000113V352 Q353 I359 K360V352-L356 HydrophobicContact CG1-CD1 3.64Å; V352-L356 WeakPolarHBondContact O-CB 3.36Å; V352-L356 WeakPolarHBondContact O-CD1 3.47Å; V352-L356 PolarHBondContact O-N 2.91Å; Q353-L356 CarbonylContact O-C 3.6Å; Q353-L356 PolarHBondContact O-N 3.13Å; Q353-L356 VanDerWaalsContact O-N 3.15Å; L356-I359 HydrophobicContact CG-CD1 4.25Å; L356-I359 PolarHBondContact O-N 2.94Å; L356-K360 WeakPolarHBondContact O-CB 3.41Å; L356-K360 VanDerWaalsContact O-CG 3.26Å; L356-K360 WeakPolarHBondContact O-CG 3.29Å; L356-K360 PolarHBondContact O-N 3.46Å
357E67.1Low63.6Low117 Ų117112.6 Ų112.655%0.54757%0.565SS.*Hα-helixtrans-66-46173.1-79.9175.8170.600110.6Q353 F355 I359 K360 I361Q353-E357 WeakPolarHBondContact O-CB 3.46Å; Q353-E357 WeakPolarHBondContact O-CG 3.19Å; Q353-E357 PolarHBondContact O-N 3.33Å; F355-E357 VanDerWaalsContact C-N 3.33Å; F355-E357 PolarHBondContact O-N 3.39Å; E357-I359 VanDerWaalsContact C-N 3.31Å; E357-I359 PolarHBondContact O-N 3Å; E357-K360 CarbonylContact O-C 3.43Å; E357-K360 WeakPolarHBondContact O-CA 3.46Å; E357-K360 WeakPolarHBondContact O-CB 3.43Å; E357-K360 PolarHBondContact O-N 2.91Å; E357-I361 WeakPolarHBondContact O-CB 3.49Å; E357-I361 VanDerWaalsContact O-CD1 3.29Å; E357-I361 WeakPolarHBondContact O-CD1 3.45Å; E357-I361 WeakPolarHBondContact O-CG1 3.4Å; E357-I361 PolarHBondContact O-N 2.73Å
358K64.6Low64.3Low79 Ų79114.4 Ų114.434%0.34357%0.565SS.*Hα-helixtrans-59.4-37.1173.3-83.5178.9176.6172.40113.4G347 P349 E354 F355 I361 F362G347-K358 PolarHBondContact O-NZ 2.78Å; P349-K358 HydrophobicContact CB-CD 4.22Å; P349-K358 HydrophobicContact CG-CD 4.3Å; E354-K358 WeakPolarHBondContact O-CB 3.38Å; E354-K358 WeakPolarHBondContact O-CG 3.27Å; E354-K358 PolarHBondContact O-N 2.88Å; F355-K358 WeakPolarHBondContact O-CB 3.42Å; F355-K358 PolarHBondContact O-N 3.06Å; F355-K358 VanDerWaalsContact O-N 3.12Å; K358-I361 PolarHBondContact O-N 3.14Å; K358-F362 VanDerWaalsContact O-CD2 3.29Å; K358-F362 WeakPolarHBondContact O-CD2 3.41Å; K358-F362 PolarHBondContact O-N 3.15Å
359I62.7Low65.2Low89 Ų89112.3 Ų112.346%0.45656%0.558SS.*Hα-helixtrans-73.5-29173.85.2166.5000112.8F355 L356 E357 I361F355-I359 HydrophobicContact CD1-CD1 3.63Å; F355-I359 HydrophobicContact CD1-CG1 4.12Å; F355-I359 HydrophobicContact CE1-CD1 3.41Å; F355-I359 VanDerWaalsContact CE1-CD1 3.41Å; F355-I359 HydrophobicContact CE1-CG1 4.09Å; F355-I359 HydrophobicContact CG-CD1 4.49Å; F355-I359 HydrophobicContact CZ-CD1 4.13Å; F355-I359 HydrophobicContact CZ-CG1 4.47Å; F355-I359 WeakPolarHBondContact O-CG1 2.86Å; F355-I359 PolarHBondContact O-N 3.12Å; L356-I359 HydrophobicContact CG-CD1 4.25Å; L356-I359 PolarHBondContact O-N 2.94Å; E357-I359 VanDerWaalsContact C-N 3.31Å; E357-I359 PolarHBondContact O-N 3Å; I359-I361 VanDerWaalsContact C-N 3.34Å
360K58.9Low66Low172 Ų172113.7 Ų113.775%0.74856%0.563SS**Hα-helixtrans-73.9-24.7172.2-76.5176.4178.4-173.90112.8L356 E357L356-K360 WeakPolarHBondContact O-CB 3.41Å; L356-K360 VanDerWaalsContact O-CG 3.26Å; L356-K360 WeakPolarHBondContact O-CG 3.29Å; L356-K360 PolarHBondContact O-N 3.46Å; E357-K360 CarbonylContact O-C 3.43Å; E357-K360 WeakPolarHBondContact O-CA 3.46Å; E357-K360 WeakPolarHBondContact O-CB 3.43Å; E357-K360 PolarHBondContact O-N 2.91Å
361I57.3Low66.9Low124 Ų124110 Ų11064%0.63655%0.551SS**SBendtrans-81.1-14.2178.7-67.7159.9000112.2E357 K358 I359 P363E357-I361 WeakPolarHBondContact O-CB 3.49Å; E357-I361 VanDerWaalsContact O-CD1 3.29Å; E357-I361 WeakPolarHBondContact O-CD1 3.45Å; E357-I361 WeakPolarHBondContact O-CG1 3.4Å; E357-I361 PolarHBondContact O-N 2.73Å; K358-I361 PolarHBondContact O-N 3.14Å; I359-I361 VanDerWaalsContact C-N 3.34Å; I361-P363 WeakPolarHBondContact O-CD 3.49Å; I361-P363 VanDerWaalsContact O-N 3.08Å
362F50.8Low67.5Low147 Ų147110.3 Ų110.365%0.64555%0.554SS**SBendtrans-63.9116.9171.2-85-80.8000109K358 K364K358-F362 VanDerWaalsContact O-CD2 3.29Å; K358-F362 WeakPolarHBondContact O-CD2 3.41Å; K358-F362 PolarHBondContact O-N 3.15Å; F362-K364 PolarHBondContact O-N 3.3Å
363P59.4Low68.3Low93 Ų93110.3 Ų110.360%0.60455%0.547SS*.  trans-55.4133173.623.6-31.1000106.8I361 N365I361-P363 WeakPolarHBondContact O-CD 3.49Å; I361-P363 VanDerWaalsContact O-N 3.08Å; P363-N365 VanDerWaalsContact C-N 3.26Å; P363-N365 PolarHBondContact O-N 2.91Å
364K64.3Low69.1Low198 Ų198109.9 Ų109.986%0.86154%0.543SS*.  trans-56.9100.6169-66.7176.9-177.6175.90105.4F362 L366F362-K364 PolarHBondContact O-N 3.3Å; K364-L366 PolarHBondContact O-N 3.08Å
365N64.7Low69.8Low95 Ų95109.7 Ų109.751%0.50855%0.548SS..  trans-54.8115.3178.9-71.9-76.6000106.5P363 L370P363-N365 VanDerWaalsContact C-N 3.26Å; P363-N365 PolarHBondContact O-N 2.91Å; N365-L370 HydrophobicContact CB-CD1 3.72Å; N365-L370 HydrophobicContact CB-CG 4.34Å
366L67.8Low70.8Confident106 Ų106111 Ų11156%0.55555%0.554SS**  trans-71156.5169.3-74133.8000107.1K364 T368 D369K364-L366 PolarHBondContact O-N 3.08Å; L366-T368 WeakPolarHBondContact CB-OG1 3.42Å; L366-T368 PolarHBondContact O-N 3.39Å; L366-D369 PolarHBondContact N-OD2 3.39Å; L366-D369 PolarHBondContact O-N 3Å
367H64.9Low71.8Confident167 Ų167111.4 Ų111.477%0.77356%0.557SS**THydrogen-bonded Turntrans-59.1-12.1175.466.4-79.6000113.1
368T74.8Confident72.8Confident97 Ų97110.6 Ų110.660%0.59556%0.555SS**THydrogen-bonded Turntrans-82.3-22174.450.10000114L366L366-T368 WeakPolarHBondContact CB-OG1 3.42Å; L366-T368 PolarHBondContact O-N 3.39Å
369D73.8Confident73.9Confident96 Ų96108.6 Ų108.651%0.51355%0.553SS.*THydrogen-bonded Turntrans-92.6-11.1-170.2-53.4-24.7000112.3L366L366-D369 PolarHBondContact N-OD2 3.39Å; L366-D369 PolarHBondContact O-N 3Å
370L70.8Confident75.3Confident73 Ų73107 Ų10738%0.38255%0.554SS.*SBendtrans-109127.3178.8-75.9153.3000109.5N365 P372N365-L370 HydrophobicContact CB-CD1 3.72Å; N365-L370 HydrophobicContact CB-CG 4.34Å; L370-P372 WeakPolarHBondContact O-CD 3.48Å
371D83.2Confident76.8Confident85 Ų85101.1 Ų101.146%0.45554%0.537SS..  trans-56.8123171.4177.33000109.8Q373 K374 C375D371-Q373 PolarHBondContact O-N 3.26Å; D371-Q373 VanDerWaalsContact O-N 3.09Å; D371-Q373 PolarHBondContact OD1-N 2.81Å; D371-Q373 VanDerWaalsContact OD1-N 3.11Å; D371-K374 HydrophobicContact CB-CD 4.08Å; D371-K374 HydrophobicContact CB-CG 4.06Å; D371-K374 WeakPolarHBondContact O-CB 3.37Å; D371-K374 PolarHBondContact O-N 3.26Å; D371-C375 PolarHBondContact O-N 2.77Å
372P85.8Confident78.4Confident84 Ų8497.4 Ų97.455%0.54552%0.518SS..Hα-helixtrans-50.8-35.5179.3-28.234.5000113.2L370 K374 C375 F376L370-P372 WeakPolarHBondContact O-CD 3.48Å; P372-K374 VanDerWaalsContact C-N 3.35Å; P372-K374 PolarHBondContact O-N 3.29Å; P372-C375 WeakPolarHBondContact O-CB 3.48Å; P372-C375 PolarHBondContact O-N 3.06Å; P372-C375 VanDerWaalsContact O-N 3.16Å; P372-F376 HydrophobicContact CB-CE2 4.22Å; P372-F376 WeakPolarHBondContact O-CD2 3.37Å; P372-F376 PolarHBondContact O-N 3.14Å
373Q87.3Confident80.3Confident103 Ų10397.5 Ų97.548%0.48152%0.515SS..Hα-helixtrans-63.2-41.3179.8-168.459.242.800111.9D371 C375 F376 D377D371-Q373 PolarHBondContact O-N 3.26Å; D371-Q373 VanDerWaalsContact O-N 3.09Å; D371-Q373 PolarHBondContact OD1-N 2.81Å; D371-Q373 VanDerWaalsContact OD1-N 3.11Å; Q373-C375 VanDerWaalsContact C-N 3.26Å; Q373-C375 PolarHBondContact O-N 2.87Å; Q373-F376 PolarHBondContact O-N 2.93Å; Q373-F376 VanDerWaalsContact O-N 3.13Å; Q373-D377 PolarHBondContact NE2-OD1 3.15Å; Q373-D377 PolarHBondContact O-N 3.34Å
374K86.3Confident81.7Confident124 Ų12497.9 Ų97.954%0.53952%0.52SS..Hα-helixtrans-61.6-37.3176-65.6-180-175.71770111.5D371 P372 D377 I378D371-K374 HydrophobicContact CB-CD 4.08Å; D371-K374 HydrophobicContact CB-CG 4.06Å; D371-K374 WeakPolarHBondContact O-CB 3.37Å; D371-K374 PolarHBondContact O-N 3.26Å; P372-K374 VanDerWaalsContact C-N 3.35Å; P372-K374 PolarHBondContact O-N 3.29Å; K374-D377 PolarHBondContact O-N 3.17Å; K374-I378 WeakPolarHBondContact O-CB 3.35Å; K374-I378 WeakPolarHBondContact O-CD1 3.36Å; K374-I378 WeakPolarHBondContact O-CG1 3.17Å; K374-I378 PolarHBondContact O-N 3.09Å
375C83.8Confident82.9Confident61 Ų6190.6 Ų90.641%0.41249%0.494SS..Hα-helixtrans-65.6-42175.3-65.50000111.9D371 P372 Q373 I378 A379D371-C375 PolarHBondContact O-N 2.77Å; P372-C375 WeakPolarHBondContact O-CB 3.48Å; P372-C375 PolarHBondContact O-N 3.06Å; P372-C375 VanDerWaalsContact O-N 3.16Å; Q373-C375 VanDerWaalsContact C-N 3.26Å; Q373-C375 PolarHBondContact O-N 2.87Å; C375-I378 PolarHBondContact O-N 3.35Å; C375-A379 WeakPolarHBondContact O-CB 3.4Å; C375-A379 PolarHBondContact O-N 3.2Å
376F89.6Confident84.1Confident140 Ų14092.2 Ų92.261%0.61450%0.503SS*.Hα-helixtrans-63.2-42.7175.1-70.6-60.7000112.2P372 Q373 A379 A380P372-F376 HydrophobicContact CB-CE2 4.22Å; P372-F376 WeakPolarHBondContact O-CD2 3.37Å; P372-F376 PolarHBondContact O-N 3.14Å; Q373-F376 PolarHBondContact O-N 2.93Å; Q373-F376 VanDerWaalsContact O-N 3.13Å; F376-A379 PolarHBondContact O-N 3.18Å; F376-A380 WeakPolarHBondContact O-CB 3.49Å; F376-A380 PolarHBondContact O-N 2.85Å
377D90.3Very high85.2Confident90 Ų9089.5 Ų89.548%0.48149%0.492SS..Hα-helixtrans-65.1-41.6178.7-62.7-17000111.3Q373 K374 A380 A381Q373-D377 PolarHBondContact NE2-OD1 3.15Å; Q373-D377 PolarHBondContact O-N 3.34Å; K374-D377 PolarHBondContact O-N 3.17Å; D377-A380 PolarHBondContact O-N 2.96Å; D377-A381 VanDerWaalsContact O-CB 3.29Å; D377-A381 WeakPolarHBondContact O-CB 3.33Å; D377-A381 PolarHBondContact O-N 3.5Å
378I86.9Confident86.4Confident99 Ų9991.9 Ų91.951%0.50850%0.495SS..Hα-helixtrans-63.2-43.6174.4-68.3163.6000110.5K374 C375 A381 L382K374-I378 WeakPolarHBondContact O-CB 3.35Å; K374-I378 WeakPolarHBondContact O-CD1 3.36Å; K374-I378 WeakPolarHBondContact O-CG1 3.17Å; K374-I378 PolarHBondContact O-N 3.09Å; C375-I378 PolarHBondContact O-N 3.35Å; I378-A381 PolarHBondContact O-N 2.89Å; I378-L382 HydrophobicContact CG2-CD1 3.88Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.39Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 3.35Å
379A88.8Confident87Confident37 Ų3789.1 Ų89.131%0.30649%0.486SS..Hα-helixtrans-61.1-48.5176.800000110.8C375 F376 A381 L382 Y383C375-A379 WeakPolarHBondContact O-CB 3.4Å; C375-A379 PolarHBondContact O-N 3.2Å; F376-A379 PolarHBondContact O-N 3.18Å; A379-A381 VanDerWaalsContact C-N 3.33Å; A379-A381 PolarHBondContact O-N 2.76Å; A379-L382 PolarHBondContact O-N 3.39Å; A379-L382 VanDerWaalsContact O-N 3.09Å; A379-Y383 WeakPolarHBondContact O-CD2 3.46Å; A379-Y383 PolarHBondContact O-N 3.11Å
380A91.5Very high87.8Confident57 Ų5784.8 Ų84.847%0.47146%0.463SS..Hα-helixtrans-58.9-42.7176.600000112F376 D377 L382 Y383 S384F376-A380 WeakPolarHBondContact O-CB 3.49Å; F376-A380 PolarHBondContact O-N 2.85Å; D377-A380 PolarHBondContact O-N 2.96Å; A380-L382 PolarHBondContact O-N 3.38Å; A380-Y383 PolarHBondContact O-N 3.41Å; A380-S384 WeakPolarHBondContact O-CB 3.47Å; A380-S384 PolarHBondContact O-N 3.02Å; A380-S384 PolarHBondContact O-OG 3.09Å
381A90.8Very high88.7Confident47 Ų4787.8 Ų87.839%0.38847%0.473SS..Hα-helixtrans-65.2-35.1174.800000112.6D377 I378 A379 S384 S385D377-A381 VanDerWaalsContact O-CB 3.29Å; D377-A381 WeakPolarHBondContact O-CB 3.33Å; D377-A381 PolarHBondContact O-N 3.5Å; I378-A381 PolarHBondContact O-N 2.89Å; A379-A381 VanDerWaalsContact C-N 3.33Å; A379-A381 PolarHBondContact O-N 2.76Å; A381-S384 WeakPolarHBondContact CA-OG 3.32Å; A381-S384 PolarHBondContact O-N 3.39Å; A381-S385 WeakPolarHBondContact O-CA 3.41Å; A381-S385 WeakPolarHBondContact O-CB 3.43Å; A381-S385 PolarHBondContact O-N 2.86Å; A381-S385 PolarHBondContact O-OG 3.5Å
382L91.6Very high88.9Confident47 Ų4788.1 Ų88.125%0.24647%0.473CS..Hα-helixtrans-71.8-28.6176.5-74.3171.2000113I378 A379 A380 A390 F393I378-L382 HydrophobicContact CG2-CD1 3.88Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.39Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 3.35Å; A379-L382 PolarHBondContact O-N 3.39Å; A379-L382 VanDerWaalsContact O-N 3.09Å; A380-L382 PolarHBondContact O-N 3.38Å; L382-A390 HydrophobicContact CD2-CB 4.47Å; L382-A390 VanDerWaalsContact O-CB 3.24Å; L382-A390 WeakPolarHBondContact O-CB 3.34Å; L382-F393 HydrophobicContact CB-CD1 4.2Å; L382-F393 HydrophobicContact CB-CG 4.29Å; L382-F393 HydrophobicContact CD1-CD2 4.16Å; L382-F393 HydrophobicContact CD1-CG 4.35Å; L382-F393 HydrophobicContact CD2-CB 4.32Å
383Y89.9Confident89.2Confident149 Ų14987.2 Ų87.258%0.58446%0.461SS*.Hα-helixtrans-80.7-29.4173.4-76.9-70.1000113.2A379 A380 F393A379-Y383 WeakPolarHBondContact O-CD2 3.46Å; A379-Y383 PolarHBondContact O-N 3.11Å; A380-Y383 PolarHBondContact O-N 3.41Å; Y383-F393 HydrophobicContact CD1-CE1 4.36Å; Y383-F393 AromaticContact CE1-CE1 3.8Å; Y383-F393 HydrophobicContact CE1-CE1 3.8Å; Y383-F393 HydrophobicContact CE2-CE1 4.08Å; Y383-F393 HydrophobicContact CE2-CZ 4.35Å; Y383-F393 AromaticContact CZ-CE1 3.63Å
384S88.7Confident89.2Confident100 Ų10085 Ų8570%0.69946%0.46SS*.Hα-helixtrans-98.7-24.4-175.755.40000114.8A380 A381A380-S384 WeakPolarHBondContact O-CB 3.47Å; A380-S384 PolarHBondContact O-N 3.02Å; A380-S384 PolarHBondContact O-OG 3.09Å; A381-S384 WeakPolarHBondContact CA-OG 3.32Å; A381-S384 PolarHBondContact O-N 3.39Å
385S89.7Confident89.5Confident45 Ų4585.2 Ų85.232%0.31546%0.461SS..  trans-85.4154.4-177.870.20000113.1A381 S387 A390A381-S385 WeakPolarHBondContact O-CA 3.41Å; A381-S385 WeakPolarHBondContact O-CB 3.43Å; A381-S385 PolarHBondContact O-N 2.86Å; A381-S385 PolarHBondContact O-OG 3.5Å; S385-S387 VanDerWaalsContact C-N 3.32Å; S385-S387 PolarHBondContact OG-OG 3.36Å; S385-A390 WeakPolarHBondContact O-CB 3.47Å; S385-A390 VanDerWaalsContact OG-CB 3.31Å; S385-A390 WeakPolarHBondContact OG-CB 3.4Å
386D90.3Very high89.8Confident129 Ų12990.1 Ų90.169%0.6947%0.471SS*.  trans-97.412.6171.573.5-29.4000112.4K391D386-K391 WeakPolarHBondContact O-CE 3.11Å; D386-K391 PolarHBondContact O-NZ 3.15Å; D386-K391 VanDerWaalsContact O-NZ 3.17Å
387S90.1Very high89.7Confident49 Ų4987.3 Ų87.334%0.34346%0.46SS..SBendtrans-58.4158.9-177.571.30000111.7S385 G389 A390 K391S385-S387 VanDerWaalsContact C-N 3.32Å; S385-S387 PolarHBondContact OG-OG 3.36Å; S387-G389 PolarHBondContact O-N 2.86Å; S387-A390 PolarHBondContact O-N 2.71Å; S387-A390 VanDerWaalsContact O-N 3.09Å; S387-A390 WeakPolarHBondContact OG-CB 3.12Å; S387-A390 PolarHBondContact OG-N 2.86Å; S387-A390 VanDerWaalsContact OG-N 3.1Å; S387-K391 PolarHBondContact O-N 2.94Å
388R89.8Confident89.5Confident217 Ų21785.5 Ų85.582%0.81946%0.457SS*.Hα-helixtrans-54-36.8172.9-176.2177.5179.1-179.80111.7M392R388-M392 WeakPolarHBondContact O-CB 3.24Å; R388-M392 WeakPolarHBondContact O-CG 3.42Å; R388-M392 PolarHBondContact O-N 3.06Å; R388-M392 VanDerWaalsContact O-N 3.1Å
389G87.2Confident89.3Confident40 Ų4087.9 Ų87.941%0.41246%0.459SS..Hα-helixtrans-62.8-48.9175.300000112.3S387 M392 F393S387-G389 PolarHBondContact O-N 2.86Å; G389-M392 PolarHBondContact O-N 3.11Å; G389-F393 WeakPolarHBondContact O-CB 3.46Å; G389-F393 PolarHBondContact O-N 2.77Å
390A90.9Very high89Confident4 Ų488.2 Ų88.23%0.03346%0.462CS..Hα-helixtrans-64.5-41.7177.700000113.2L382 S385 S387 M392 F393 A394L382-A390 HydrophobicContact CD2-CB 4.47Å; L382-A390 VanDerWaalsContact O-CB 3.24Å; L382-A390 WeakPolarHBondContact O-CB 3.34Å; S385-A390 WeakPolarHBondContact O-CB 3.47Å; S385-A390 VanDerWaalsContact OG-CB 3.31Å; S385-A390 WeakPolarHBondContact OG-CB 3.4Å; S387-A390 PolarHBondContact O-N 2.71Å; S387-A390 VanDerWaalsContact O-N 3.09Å; S387-A390 WeakPolarHBondContact OG-CB 3.12Å; S387-A390 PolarHBondContact OG-N 2.86Å; S387-A390 VanDerWaalsContact OG-N 3.1Å; A390-M392 VanDerWaalsContact C-N 3.33Å; A390-M392 PolarHBondContact O-N 3.39Å; A390-F393 CarbonylContact O-C 3.6Å; A390-F393 WeakPolarHBondContact O-CB 3.29Å; A390-F393 PolarHBondContact O-N 3.37Å; A390-F393 VanDerWaalsContact O-N 3.17Å; A390-A394 WeakPolarHBondContact O-CB 3.45Å; A390-A394 PolarHBondContact O-N 2.99Å
391K90.2Very high88.4Confident136 Ų13690 Ų9059%0.59146%0.463SS*.Hα-helixtrans-60.9-41.4174.5-72.2172.7177.5156.60112.3D386 S387 K395D386-K391 WeakPolarHBondContact O-CE 3.11Å; D386-K391 PolarHBondContact O-NZ 3.15Å; D386-K391 VanDerWaalsContact O-NZ 3.17Å; S387-K391 PolarHBondContact O-N 2.94Å; K391-K395 WeakPolarHBondContact O-CB 3.39Å; K391-K395 PolarHBondContact O-N 3.4Å; K391-K395 VanDerWaalsContact O-N 3.08Å
392M88Confident87.7Confident92 Ų9294.8 Ų94.845%0.45348%0.475SS..Hα-helixtrans-65.7-42.2174.4-75-83.5-77.700111.4R388 G389 A390 K395 R396R388-M392 WeakPolarHBondContact O-CB 3.24Å; R388-M392 WeakPolarHBondContact O-CG 3.42Å; R388-M392 PolarHBondContact O-N 3.06Å; R388-M392 VanDerWaalsContact O-N 3.1Å; G389-M392 PolarHBondContact O-N 3.11Å; A390-M392 VanDerWaalsContact C-N 3.33Å; A390-M392 PolarHBondContact O-N 3.39Å; M392-K395 PolarHBondContact O-N 3.47Å; M392-R396 WeakPolarHBondContact O-CB 3.43Å; M392-R396 WeakPolarHBondContact O-CG 3.21Å; M392-R396 PolarHBondContact O-N 3.08Å
393F90.6Very high86.7Confident66 Ų66101.5 Ų101.529%0.28950%0.497SS..Hα-helixtrans-61.9-50.4176.4-177.7-97.4000111.2L382 Y383 G389 A390 K395 R396 H397L382-F393 HydrophobicContact CB-CD1 4.2Å; L382-F393 HydrophobicContact CB-CG 4.29Å; L382-F393 HydrophobicContact CD1-CD2 4.16Å; L382-F393 HydrophobicContact CD1-CG 4.35Å; L382-F393 HydrophobicContact CD2-CB 4.32Å; Y383-F393 HydrophobicContact CD1-CE1 4.36Å; Y383-F393 AromaticContact CE1-CE1 3.8Å; Y383-F393 HydrophobicContact CE1-CE1 3.8Å; Y383-F393 HydrophobicContact CE2-CE1 4.08Å; Y383-F393 HydrophobicContact CE2-CZ 4.35Å; Y383-F393 AromaticContact CZ-CE1 3.63Å; G389-F393 WeakPolarHBondContact O-CB 3.46Å; G389-F393 PolarHBondContact O-N 2.77Å; A390-F393 CarbonylContact O-C 3.6Å; A390-F393 WeakPolarHBondContact O-CB 3.29Å; A390-F393 PolarHBondContact O-N 3.37Å; A390-F393 VanDerWaalsContact O-N 3.17Å; F393-K395 VanDerWaalsContact C-N 3.34Å; F393-K395 PolarHBondContact O-N 3.12Å; F393-R396 CarbonylContact O-C 3.58Å; F393-R396 PolarHBondContact O-N 2.79Å; F393-R396 VanDerWaalsContact O-N 3.11Å; F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 2.87Å
394A88.9Confident85.4Confident57 Ų5799.3 Ų99.347%0.47150%0.495SS..Hα-helixtrans-57.4-43.4176.300000112.5A390 R396 H397 A398A390-A394 WeakPolarHBondContact O-CB 3.45Å; A390-A394 PolarHBondContact O-N 2.99Å; A394-R396 PolarHBondContact O-N 3.17Å; A394-H397 PolarHBondContact O-N 2.92Å; A394-A398 WeakPolarHBondContact O-CB 3.43Å; A394-A398 PolarHBondContact O-N 3.4Å
395K91.2Very high84Confident127 Ų12796.5 Ų96.555%0.55248%0.478SS*.Hα-helixtrans-65.7-38176.4-172.3173.5-176.3173.40112.4K391 M392 F393 R399K391-K395 WeakPolarHBondContact O-CB 3.39Å; K391-K395 PolarHBondContact O-N 3.4Å; K391-K395 VanDerWaalsContact O-N 3.08Å; M392-K395 PolarHBondContact O-N 3.47Å; F393-K395 VanDerWaalsContact C-N 3.34Å; F393-K395 PolarHBondContact O-N 3.12Å; K395-R399 VanDerWaalsContact O-CG 3.26Å; K395-R399 WeakPolarHBondContact O-CG 3.24Å; K395-R399 PolarHBondContact O-N 3.32Å; K395-R399 VanDerWaalsContact O-N 3.17Å
396R90.7Very high82.1Confident165 Ų165100.2 Ų100.262%0.62349%0.491SS*.Hα-helixtrans-69.7-42.4174.9-76.4177.8177.8162.4-1.8111.4M392 F393 A394 R399 A400M392-R396 WeakPolarHBondContact O-CB 3.43Å; M392-R396 WeakPolarHBondContact O-CG 3.21Å; M392-R396 PolarHBondContact O-N 3.08Å; F393-R396 CarbonylContact O-C 3.58Å; F393-R396 PolarHBondContact O-N 2.79Å; F393-R396 VanDerWaalsContact O-N 3.11Å; A394-R396 PolarHBondContact O-N 3.17Å; R396-R399 WeakPolarHBondContact O-CB 3.31Å; R396-R399 PolarHBondContact O-N 3.1Å; R396-R399 VanDerWaalsContact O-N 3.15Å; R396-A400 PolarHBondContact O-N 3.1Å
397H87.6Confident80.1Confident81 Ų81100.4 Ų100.438%0.37549%0.492SS..Hα-helixtrans-60.1-47.2176.2-167.8-94.2000111.1F393 A394 R399 A400 I401F393-H397 WeakPolarHBondContact O-CB 3.43Å; F393-H397 PolarHBondContact O-N 2.87Å; A394-H397 PolarHBondContact O-N 2.92Å; H397-R399 VanDerWaalsContact C-N 3.3Å; H397-R399 PolarHBondContact O-N 3.09Å; H397-A400 PolarHBondContact O-N 3.18Å; H397-I401 WeakPolarHBondContact ND1-CD1 3.5Å; H397-I401 WeakPolarHBondContact O-CG1 2.97Å; H397-I401 PolarHBondContact O-N 3Å
398A85.6Confident78.1Confident51 Ų51102.4 Ų102.442%0.42150%0.502SS..Hα-helixtrans-62.4-33.8174.600000113.3A394 K402A394-A398 WeakPolarHBondContact O-CB 3.43Å; A394-A398 PolarHBondContact O-N 3.4Å; A398-K402 WeakPolarHBondContact O-CG 3.09Å; A398-K402 PolarHBondContact O-N 3.49Å
399R82.8Confident76.1Confident149 Ų14999 Ų9956%0.56250%0.496SS*.Hα-helixtrans-71.4-38.4174.1-75.5171.5177.4-164.7-4.4112.3K395 R396 H397 K402 W403K395-R399 VanDerWaalsContact O-CG 3.26Å; K395-R399 WeakPolarHBondContact O-CG 3.24Å; K395-R399 PolarHBondContact O-N 3.32Å; K395-R399 VanDerWaalsContact O-N 3.17Å; R396-R399 WeakPolarHBondContact O-CB 3.31Å; R396-R399 PolarHBondContact O-N 3.1Å; R396-R399 VanDerWaalsContact O-N 3.15Å; H397-R399 VanDerWaalsContact C-N 3.3Å; H397-R399 PolarHBondContact O-N 3.09Å; R399-K402 PolarHBondContact O-N 3.33Å; R399-W403 PolarHBondContact O-N 2.68Å
400A84Confident74Confident45 Ų45104.8 Ų104.837%0.37252%0.517SS..Hα-helixtrans-64.4-47.2176.300000110.4R396 H397 K402 W403 D404R396-A400 PolarHBondContact O-N 3.1Å; H397-A400 PolarHBondContact O-N 3.18Å; A400-K402 VanDerWaalsContact C-N 3.26Å; A400-K402 PolarHBondContact O-N 2.84Å; A400-W403 CarbonylContact O-C 3.54Å; A400-W403 WeakPolarHBondContact O-CA 3.5Å; A400-W403 WeakPolarHBondContact O-CB 3.46Å; A400-W403 PolarHBondContact O-N 3.02Å; A400-D404 PolarHBondContact O-N 2.7Å
401I78.5Confident71.5Confident93 Ų93107.5 Ų107.548%0.47755%0.546SS..Hα-helixtrans-55.1-42.5173.6-67.1167.2000111.4H397 D404 A405H397-I401 WeakPolarHBondContact ND1-CD1 3.5Å; H397-I401 WeakPolarHBondContact O-CG1 2.97Å; H397-I401 PolarHBondContact O-N 3Å; I401-D404 PolarHBondContact O-N 3.2Å; I401-A405 WeakPolarHBondContact O-CB 3.4Å; I401-A405 PolarHBondContact O-N 2.93Å
402K76.4Confident69.1Low148 Ų148108.6 Ų108.664%0.64356%0.558SS**Hα-helixtrans-66-37.3175.5-74.1-174.8179-160.90112.8A398 R399 A400 A405 Q406A398-K402 WeakPolarHBondContact O-CG 3.09Å; A398-K402 PolarHBondContact O-N 3.49Å; R399-K402 PolarHBondContact O-N 3.33Å; A400-K402 VanDerWaalsContact C-N 3.26Å; A400-K402 PolarHBondContact O-N 2.84Å; K402-A405 PolarHBondContact O-N 3.18Å; K402-Q406 WeakPolarHBondContact O-CB 3.44Å; K402-Q406 PolarHBondContact O-N 2.97Å
403W70.7Confident66.7Low188 Ų188113.1 Ų113.171%0.71258%0.578SS**Hα-helixtrans-66.9-38.1176-101.294.1000112.3R399 A400R399-W403 PolarHBondContact O-N 2.68Å; A400-W403 CarbonylContact O-C 3.54Å; A400-W403 WeakPolarHBondContact O-CA 3.5Å; A400-W403 WeakPolarHBondContact O-CB 3.46Å; A400-W403 PolarHBondContact O-N 3.02Å
404D62.5Low64.1Low103 Ų103116 Ų11655%0.55160%0.603SS**Hα-helixtrans-72.2-39.6175.1-61.7-31.8000110.6A400 I401 Q406 N407 T408A400-D404 PolarHBondContact O-N 2.7Å; I401-D404 PolarHBondContact O-N 3.2Å; D404-Q406 PolarHBondContact O-N 2.62Å; D404-N407 PolarHBondContact O-N 2.84Å; D404-T408 PolarHBondContact O-OG1 3.15Å
405A57.9Low61.5Low41 Ų41116.7 Ų116.734%0.33962%0.616SS.*Hα-helixtrans-65.7-34.417600000112.8I401 K402 N407 T408 E409I401-A405 WeakPolarHBondContact O-CB 3.4Å; I401-A405 PolarHBondContact O-N 2.93Å; K402-A405 PolarHBondContact O-N 3.18Å; A405-N407 PolarHBondContact O-N 3.14Å; A405-T408 CarbonylContact O-C 3.56Å; A405-T408 WeakPolarHBondContact O-CA 3.11Å; A405-T408 PolarHBondContact O-N 2.93Å; A405-E409 PolarHBondContact O-N 3.25Å
406Q49.9Very low58.6Low123 Ų123118.6 Ų118.658%0.57563%0.632SS**THydrogen-bonded Turntrans-67.2-15176.7-136.98557.100113.3K402 D404K402-Q406 WeakPolarHBondContact O-CB 3.44Å; K402-Q406 PolarHBondContact O-N 2.97Å; D404-Q406 PolarHBondContact O-N 2.62Å
407N48.9Very low55.9Low133 Ų133122.5 Ų122.571%0.71165%0.647SS**THydrogen-bonded Turntrans-93.3-1169.6-65.7-34.3000112.7D404 A405D404-N407 PolarHBondContact O-N 2.84Å; A405-N407 PolarHBondContact O-N 3.14Å
408T48.3Very low53.3Low92 Ų92127 Ų12756%0.56467%0.67SS**  trans-127.322.3-170.4-380000111.9D404 A405D404-T408 PolarHBondContact O-OG1 3.15Å; A405-T408 CarbonylContact O-C 3.56Å; A405-T408 WeakPolarHBondContact O-CA 3.11Å; A405-T408 PolarHBondContact O-N 2.93Å
409E46.8Very low51Low145 Ų145131.6 Ų131.668%0.67869%0.688SS**  trans-91.83.5178-79.8-170.1169.300114.6A405A405-E409 PolarHBondContact O-N 3.25Å
410D44.4Very low48.7Very low161 Ų161131.5 Ų131.586%0.86170%0.704SS**SBendtrans-96.3107158-66.8-41.8000107.5D412D410-D412 PolarHBondContact O-N 3.44Å
411G37.2Very low46.4Very low62 Ų62135 Ų13564%0.63972%0.72SS**  trans-50.5130.9-16700000114.2
412D39.8Very low44.6Very low159 Ų159136.9 Ų136.985%0.8574%0.736SS**  -172.1148.6120.2-83.6-31.2000109.3D410D410-D412 PolarHBondContact O-N 3.44Å
413E37.3Very low42.6Very low187 Ų187134.8 Ų134.887%0.87475%0.746SS**  trans-45.5155.6-170.9-102.1-159.2128.100117.6G415E413-G415 PolarHBondContact O-N 3.21Å
414P35.9Very low40.9Very low126 Ų126131.6 Ų131.682%0.81875%0.753SS**  trans-84.6116-16334.2-32.2000112.6
415G34.3Very low39.5Very low72 Ų72130.2 Ų130.274%0.74276%0.763SS**  trans-164.792.3173.400000113.9E413E413-G415 PolarHBondContact O-N 3.21Å
416N31.9Very low38.7Very low166 Ų166134.7 Ų134.789%0.88879%0.788SS**  trans49.296.6158.5-83.59.4000118.4
417R33.2Very low37.8Very low248 Ų248132.5 Ų132.594%0.93680%0.798SS**  trans-158.9123.4135.9-123.1171.8174.2174.6-2.5113.8
418M34Very low37.1Very low174 Ų174132.5 Ų132.586%0.85781%0.806SS**  trans-68.6127.9158.7-59.8-171.1-74.200108.7
419N36.8Very low36.4Very low149 Ų149133.7 Ų133.780%0.79781%0.813SS**  173.3121.7126.8-91.9-5000111.4
420V33.3Very low36Very low147 Ų147134.9 Ų134.989%0.89182%0.822SS**  trans-70.7115.6161.4173.20000107.5
421T37.4Very low35.5Very low117 Ų117138 Ų13872%0.71882%0.822SS**  trans-153.8126.7157-50.80000111.8
422V40.1Very low35.5Very low134 Ų134141 Ų14181%0.81283%0.833SS**  trans-28.3142.5166.1-78.30000117.8
423A33.5Very low35.4Very low103 Ų103140.8 Ų140.885%0.85183%0.827SS**  trans-69.2125.3173.200000112.7
424S36.2Very low35.5Very low122 Ų122139.8 Ų139.885%0.85383%0.827SS**  trans-147.3122.2149.3-78.10000106.2
425G32.8Very low35.6Very low74 Ų74140.3 Ų140.376%0.76382%0.819SS**  trans-80.2-170.3174.700000112.4
426P40.3Very low35.9Very low135 Ų135145.5 Ų145.588%0.87783%0.829SS**  cis-129.1138.1-44.732.6-17.3000112.9
427G30.9Very low36.2Very low76 Ų76145.8 Ų145.878%0.78482%0.822SS**  trans83.7166.1151.100000119
428P35Very low36.1Very low133 Ų133143 Ų14386%0.86482%0.821SS**  cis-128163.5-0.936.9-18.6000116
429T33.3Very low36.3Very low118 Ų118140.4 Ų140.472%0.72482%0.815SS**  trans-61.3139.3179.2-53.70000116.2
430I37.5Very low36.4Very low170 Ų170139.2 Ų139.287%0.87282%0.819SS**  trans-140.2131.7137.6-67.3-163.7000109.8
431R33.7Very low36.6Very low227 Ų227141.5 Ų141.586%0.85782%0.817SS**  trans-86141.3175.2-68.8171.9172-179.9-3.5110.5
432S37.3Very low36.4Very low123 Ų123144 Ų14486%0.8683%0.825SS**  trans-171.7140.5132.549.60000112.6
433H38.7Very low36.3Very low156 Ų156143.3 Ų143.372%0.72282%0.823SS**  trans-51.8146.3178.6-93.6-88.4000115.8
434D38.9Very low36.5Very low165 Ų165147.9 Ų147.988%0.88283%0.827SS**  -164.8136.3111-98-26.8000113.5
435Q39.2Very low36.7Very low137 Ų137147.7 Ų147.764%0.6483%0.825SS**  trans-83.3137.7-178.1-71.3179.140.500111.7
436L40.4Very low36.9Very low182 Ų182154 Ų15495%0.95383%0.832SS**  trans-138.9107.7145.9-80.5171.9000109.9
437K37.2Very low36.8Very low171 Ų171154.4 Ų154.474%0.74383%0.832SS**  trans-70.3135.5168.9-77.5172.6175173.30109.8
438M32.1Very low37Very low189 Ų189159.4 Ų159.493%0.93184%0.835SS**  trans-127.5114156.2-78.6-74.4-86.200108.7
439V36.8Very low37.4Very low120 Ų120161.6 Ų161.673%0.72783%0.833SS**  trans-100.8130.6173.1168.50000107.5K441V439-K441 HydrophobicContact CG1-CG 4.34Å
440S38.7Very low37.8Very low124 Ų124165 Ų16587%0.86784%0.841SS**  trans-125.5107.5160.364.90000109.8
441K37.8Very low37.7Very low195 Ų195164.8 Ų164.885%0.84884%0.841SS**  trans-93.4136.7163.1-75.1-178.4175.2-177.20108.3V439V439-K441 HydrophobicContact CG1-CG 4.34Å
442L35Very low38Very low171 Ų171161.7 Ų161.790%0.89584%0.84SS**  trans-122.3135.1165.4-159.967000109
443P37.6Very low38.2Very low119 Ų119164.2 Ų164.277%0.77384%0.841SS**PPolyproline II helixtrans-93.8152.3-160.235.6-34.6000114.9
444Q37.4Very low38.6Very low199 Ų199165.7 Ų165.793%0.9385%0.845SS**PPolyproline II helixtrans-90.4129.1169.3-72.2-169.9-2500111.7
445S40.7Very low38.8Very low117 Ų117165.9 Ų165.982%0.81884%0.841SS**PPolyproline II helixtrans-90.1127.4170.152.20000111.4
446K36.3Very low38.9Very low208 Ų208166.6 Ų166.690%0.90484%0.844SS**PPolyproline II helixtrans-78.6142.1168.7-80.3175.6174.5174.50110.9
447T39.1Very low39.1Very low142 Ų142165.3 Ų165.387%0.87183%0.833SS**  trans-115.6136.8154.1-51.70000109.2
448Q35.4Very low39.3Very low182 Ų182165.6 Ų165.685%0.8584%0.837SS**  trans-93.6130.8-165.1-175.5-178.745.100110
449Q42.3Very low39.8Very low178 Ų178165.6 Ų165.683%0.83284%0.835SS**  trans-165.7133.3150.3-110.9169.166.400111.7
450Q42Very low39.8Very low189 Ų189164.3 Ų164.388%0.88384%0.837SS**  trans87.585.3166.7-62.6178.439.500118.5
451L35.5Very low40.1Very low166 Ų166163.9 Ų163.987%0.86983%0.831SS**  trans-123.2115.1154.7-123.2138000106
452L39.9Very low39.9Very low162 Ų162160.2 Ų160.285%0.84883%0.825SS**  trans165.3113.5135.9-12668.6000112.8
453M41.8Very low40.1Very low176 Ų176160.1 Ų160.187%0.86783%0.825SS**  trans171102.8131.5-95.5-169.2-176.100108.1
454K46.5Very low40Very low187 Ų187162.9 Ų162.981%0.81383%0.828SS**  90.285.794.9-165.6179175.4-173.50110.4
455Q42.8Very low40Very low170 Ų170158.4 Ų158.479%0.79482%0.818SS**  59.413088.2-151.3-168.398.300114.8
456Q42.5Very low39.8Very low151 Ų151159.2 Ų159.271%0.70681%0.813SS**  trans95.7129.7175.4-63.7-179.534.800114.5
457Q44.2Very low39.6Very low155 Ų155156.1 Ų156.172%0.72481%0.807SS**  cis-160.3152.213-110.7162.443.800109.4
458Q41.9Very low39.5Very low178 Ų178157.3 Ų157.383%0.83281%0.808SS**  trans-82.2149.8168.9-62.7165.323.400110.4
459Q41.6Very low39.4Very low189 Ų189153.5 Ų153.588%0.88380%0.801SS**  trans-177.9133.5135.6-97.5160.694.400111.6
460A37.5Very low39.1Very low93 Ų93152.3 Ų152.377%0.76980%0.801SS**  trans-86-158.7177.400000110.9
461P43.5Very low38.7Very low114 Ų114149.1 Ų149.174%0.7479%0.79SS**  cis-141.2175.5-11.829.2-4.3000116.3
462V34Very low38.9Very low119 Ų119146.9 Ų146.972%0.72178%0.778SS**  trans44.1128.1140.8179.50000121.7
463N39.6Very low38.8Very low168 Ų168144.9 Ų144.990%0.89877%0.769SS**  trans-149.7122.4141.3-92.7-30.4000111.7
464Q36.6Very low38.7Very low178 Ų178142.4 Ų142.483%0.83276%0.759SS**  trans-105.9140.1164.6-70.3177.24.700108.5
465S36.9Very low38.4Very low104 Ų104139.4 Ų139.473%0.72775%0.752SS**  trans-179.5129.1140.7-116.50000115.2
466N36.2Very low38.2Very low134 Ų134138.3 Ų138.372%0.71775%0.752SS**  70.5108128.4-66-9.2000123
467N32.8Very low38Very low144 Ų144134.7 Ų134.777%0.7775%0.754SS**  36.3122114.4-64.2-13000119.2
468N35.9Very low37.6Very low167 Ų167136.4 Ų136.489%0.89376%0.762SS**  -165.4136.8114.3-119.4-16.5000114.5
469S33.4Very low37.6Very low101 Ų101132 Ų13271%0.70675%0.752SS**  trans-63.6153.9166.7-74.50000113
470N35.1Very low37.5Very low154 Ų154129.8 Ų129.882%0.82475%0.746SS**  trans157.2149139.4-87-17.1000108.7
471N35.4Very low37.6Very low121 Ų121129.1 Ų129.165%0.64774%0.74SS**  cis179.4164.6-16.2-153.5-1000103.7
472N38.4Very low37.4Very low119 Ų119134.6 Ų134.664%0.63675%0.748SS**  trans74.8144.3157.5-57.9-17.6000117.9
473N39Very low37.6Very low121 Ų121140.4 Ų140.465%0.64776%0.757SS**  cis-177.2155.5-11.8-111.4-13.5000107.7
474N39.5Very low37.2Very low123 Ų123142.3 Ų142.366%0.65876%0.757SS**  trans91.4125.5135.6-74.40.9000123.9
475N39.1Very low37.4Very low124 Ų124138.7 Ų138.766%0.66375%0.751SS**  trans86.6142.6138.6-58.4-15.5000118.5
476N38.4Very low37.3Very low148 Ų148139.1 Ų139.179%0.79175%0.754SS**  cis-178.2153.7-17-101-18.3000106.6
477G38.3Very low37.6Very low74 Ų74140.9 Ų140.976%0.76376%0.762SS**  trans87.2140.9160.100000115.8
478E35.5Very low37.5Very low191 Ų191139 Ų13989%0.89376%0.76SS**  cis-166.3169.75-163.4157.7157.800108.2
479S43.2Very low37.6Very low87 Ų87139.2 Ų139.261%0.60876%0.76SS**  trans-63.9176.2-166.365.20000116.5
480D39.7Very low37.6Very low141 Ų141138.4 Ų138.475%0.75476%0.76SS**  cis-159.3131.720.3-87.4-59000107.5
481A40.2Very low37.9Very low79 Ų79138 Ų13865%0.65376%0.763SS**  58.6116.68900000117.5
482Y38.1Very low37.8Very low230 Ų230139.6 Ų139.690%0.90277%0.772SS**  trans179.687.4136.1-88.9-66.8000108.9
483R37.6Very low37.8Very low240 Ų240139.9 Ų139.991%0.90678%0.783SS**  74.9115.5100.7-110.6-168.8-159.1-137.66117.4
484K32.6Very low37.6Very low209 Ų209139.3 Ų139.391%0.90979%0.788SS**  trans-90.7148160.3-68174.6175.4-179.10110.2
485S40.4Very low37.6Very low101 Ų101139.6 Ų139.671%0.70679%0.794SS**  trans-166.9111.3153.9500000107
486S35.6Very low37.5Very low114 Ų114139.8 Ų139.880%0.79780%0.8SS**  47.1101.671730000114.7
487I41.2Very low37.3Very low171 Ų171139 Ų13988%0.87780%0.8SS**  trans-149.3124.9146.7-92154.9000107.5
488S31.9Very low37.3Very low103 Ų103141.3 Ų141.372%0.7280%0.802SS**  trans-93.2149.1164.641.50000109.1
489L37.2Very low37.3Very low173 Ų173138.5 Ų138.591%0.90680%0.798SS**  trans-174.8130.4144.9-99.1140.7000110.9
490A33.6Very low37.1Very low84 Ų84139.7 Ų139.769%0.69480%0.804SS**  trans-71.3162.8177.200000112.5
491T40.6Very low37.3Very low146 Ų146140.8 Ų140.890%0.89681%0.809SS**  trans-172.4134.7132.524.40000110.8
492N34.7Very low37.1Very low154 Ų154144.1 Ų144.182%0.82482%0.816SS**  trans-69.4149.5177.2-60.8-49.3000111.5
493S37.3Very low37.1Very low124 Ų124140.1 Ų140.187%0.86781%0.81SS**  trans-157.5112.2142.3-80.40000110.2
494S35.1Very low37.2Very low109 Ų109135.9 Ų135.976%0.76281%0.805SS**  trans-54.5150.5162.4480000112.9
495V39.4Very low37.6Very low130 Ų130134.2 Ų134.279%0.78880%0.804SS**  trans18099.9140.6151.90000107.3
496T37.6Very low37.5Very low128 Ų128132.6 Ų132.679%0.78580%0.803SS**  92.7115.696-32.50000113.5
497T33.7Very low38Very low130 Ų130132.5 Ų132.580%0.79880%0.799SS**  trans-70.5161164.436.70000111.5
498P39.1Very low38.6Very low123 Ų123130.5 Ų130.580%0.79980%0.795SS**  -155.1144.910136.4-16.1000116.5
499T33.9Very low39.2Very low132 Ų132131.1 Ų131.181%0.8180%0.797SS**  trans-71.6158.7143.938.80000108.6
500P40.7Very low39.4Very low112 Ų112132.2 Ų132.273%0.72779%0.794SS**  cis-154.9-176.649.838.3-14.4000115.7
501L42.9Very low40Very low165 Ų165133.1 Ų133.186%0.86479%0.793SS**  169.9119.4128.6-97.3145.6000112.7
502D35.1Very low39.9Very low148 Ų148135 Ų13579%0.79179%0.789SS**  trans-65.4146.5162-77.9-51.4000111.9
503N39Very low40Very low147 Ų147135.4 Ų135.479%0.78679%0.79SS**  trans-173.2104.4145.3-91.6-26.6000108.7
504L40.3Very low40.2Very low151 Ų151134.2 Ų134.279%0.79178%0.779SS**  85.7138.983.8-129.483.3000114.7
505I41.1Very low40.3Very low174 Ų174137.2 Ų137.289%0.89278%0.783SS**  trans92.1116.6170.7-47.6153.3000113.2
506G38.1Very low40.3Very low66 Ų66136.6 Ų136.668%0.6878%0.784SS**  cis-172.5-173.719.900000111
507P46.1Very low40.5Very low112 Ų112135.3 Ų135.373%0.72778%0.781SS**  -121.6155.2-12139.6-29.4000117.6
508T52.5Low40.8Very low129 Ų129136 Ų13679%0.79178%0.779SS**  trans64.8164.6138.253.90000121.9
509P45.3Very low40.8Very low116 Ų116136.4 Ų136.475%0.75378%0.775SS**  cis-137.2171.2-28.931.1-10.6000115.2
510K40.8Very low41.1Very low196 Ų196137 Ų13785%0.85277%0.773SS**  trans-56172.1165-62.8167177.3168.30112.4
511P47.6Very low41.1Very low103 Ų103138.2 Ų138.267%0.66978%0.779SS**  -155.6171100.742-24.1000118.4
512F38.2Very low41Very low186 Ų186135.8 Ų135.882%0.81677%0.773SS**  trans82.5101.9151.8-70.8-66.1000122
513I36.1Very low41.2Very low163 Ų163139.4 Ų139.484%0.83678%0.782SS**  trans-109.5138.5136.1-59.7172000106.1
514P42.2Very low41.2Very low99 Ų99135.9 Ų135.964%0.64378%0.78SS**  -145.1139.1127.226.6-5.8000115.2
515M37.4Very low40.9Very low171 Ų171137.9 Ų137.984%0.84279%0.786SS**  trans61.1118.7134.9-57.4-152.7139.800122
516S39.6Very low41Very low117 Ų117138.9 Ų138.982%0.81879%0.789SS**  -164.3104.7122.2-85.10000112.3
517S40.5Very low41Very low101 Ų101142.4 Ų142.471%0.70679%0.792SS**  33.1142.8124.8-390000123
518N40.1Very low40.6Very low144 Ų144144.9 Ų144.977%0.7780%0.799SS**  trans78.5125.6151.4-76-0.8000116.1
519N39.4Very low39.7Very low133 Ų133146.2 Ų146.271%0.71180%0.802SS**  cis-167.3140.233.3-102.7-19.5000112.1
520N39.9Very low39.7Very low143 Ų143146.5 Ų146.577%0.76581%0.807SS**  trans-4.1131.8149.8-61.3-24.5000119.9
521T42.1Very low39.3Very low139 Ų139144.6 Ų144.685%0.85381%0.805SS**  179137.798.825.90000111.8
522P40.4Very low38.7Very low114 Ų114147.5 Ų147.574%0.7481%0.814SS**  trans-106.3159.3177.638.6-29.9000112.3
523F38.6Very low38.6Very low223 Ų223144.6 Ų144.698%0.97881%0.811SS**  trans-179.5138.3142-118.9-87.4000112.3
524G38.3Very low38.4Very low73 Ų73144.6 Ų144.675%0.75381%0.811SS**  trans118.281.515100000118.4
525Q35.5Very low37.9Very low194 Ų194143.6 Ų143.691%0.90782%0.819SS**  trans-75148.2159.3-76.1171.4-32.200111.1
526M41.6Very low37.6Very low195 Ų195142.4 Ų142.496%0.96182%0.816SS**  trans-167126.5135.7-106.6168.3161.800112.4
527N38Very low37.4Very low140 Ų140144.8 Ų144.875%0.74982%0.82SS**  trans-67158.5175.1-87.7-25000112.8
528N38.1Very low37.1Very low163 Ų163147 Ų14787%0.87282%0.824SS**  -173.2129.4116.4-87-20.4000112.8
529N34.5Very low37Very low158 Ų158148.2 Ų148.285%0.84583%0.83SS**  trans-86152176.3-70.8-27.9000111.7
530S43.9Very low36.7Very low122 Ų122150 Ų15085%0.85384%0.84SS**  trans-152.8109.4145.654.90000111.1
531N32.6Very low36.6Very low155 Ų155147 Ų14783%0.82984%0.842SS**  trans-67159.1162.7-88.3-23.6000111.3
532I36.5Very low36.4Very low165 Ų165145.2 Ų145.285%0.84684%0.836SS**  trans159.4142.8145.9-84.6155.6000106.7
533T36.1Very low35.9Very low124 Ų124146.7 Ų146.776%0.76184%0.837SS**  cis-171.7143.9-22.7-79.90000103.6
534I31.1Very low35.7Very low163 Ų163143.2 Ų143.284%0.83683%0.834SS**  trans-69.4142.6179.4-67.2167.9000111.7
535G32.7Very low35.6Very low79 Ų79147.4 Ų147.481%0.81484%0.838SS**  trans-149.498.1168.200000112
536N30.6Very low35.5Very low145 Ų145147.4 Ų147.478%0.77584%0.838SS**  trans-73.1143.1167.7-110.7-0.3000110.1
537N35.8Very low35.1Very low167 Ų167142 Ų14289%0.89382%0.824SS**  trans-153.8112.5152.2-102.4-17.6000111.2
538N33.1Very low35.1Very low147 Ų147143.3 Ų143.379%0.78683%0.831SS**  trans-74.7143163.8-78.6-25.9000109.7
539N38.2Very low34.8Very low170 Ų170146.7 Ų146.791%0.90983%0.832SS**  trans-143.5118.8153-99.7-22.8000110.6
540N33.5Very low35Very low172 Ų172147 Ų14792%0.9283%0.833SS**  trans-70.8146.4169-81-35.2000110.9
541G37.1Very low34.5Very low78 Ų78148.1 Ų148.180%0.80483%0.829SS**  trans-160.676.8176.300000113.3
542S37.4Very low34.5Very low103 Ų103148.1 Ų148.172%0.7283%0.829SS**  trans-1.6140.4155-60.40000122.8
543N31.2Very low34.6Very low145 Ų145146.1 Ų146.178%0.77583%0.825SS**  trans64.5116.5134.9-58.4-17.8000120.5
544T34.7Very low34.4Very low149 Ų149145.1 Ų145.191%0.91482%0.822SS**  -168.9140.31041.80000113.2
545I34.9Very low34.8Very low161 Ų161143.6 Ų143.683%0.82681%0.812SS**  trans-83.9137.2175.9-69.2162000108.4
546E34.2Very low34.9Very low194 Ų194146.3 Ų146.391%0.90782%0.818SS**  -167.5144129.7-112.5-179.5179.400114
547A33.6Very low35.1Very low81 Ų81141.3 Ų141.367%0.66980%0.801SS**  trans-77.5152.8-168.900000112.8
548N37.3Very low34.9Very low168 Ų168146 Ų14690%0.89881%0.807SS**  trans-152.6126.8131.2-100.1-39.6000112.6
549R31Very low35.3Very low235 Ų235147 Ų14789%0.88780%0.8SS**  trans-57.8140.5171.8-64.7172.6176.5-153.9-1.7109.8
550L39.1Very low35.5Very low165 Ų165144.6 Ų144.686%0.86479%0.793SS**  -169.7124.2125.5-99.5157.9000109.6N552L550-N552 PolarHBondContact O-N 3.48Å
551N33.5Very low35.8Very low144 Ų144142.2 Ų142.277%0.7779%0.785SS**  trans-36.7127.9165.7-65.6-30.4000112.2
552N33.5Very low36.1Very low155 Ų155148.1 Ų148.183%0.82979%0.788SS**  -169.5126.8111.8-95-27.2000111.8L550L550-N552 PolarHBondContact O-N 3.48Å
553T38.3Very low36.3Very low124 Ų124151.8 Ų151.876%0.76179%0.791SS**  trans-48.6133173.333.50000113.7
554S32.3Very low37.2Very low102 Ų102156.6 Ų156.671%0.71380%0.799SS**  trans-30.3134142.550.50000114.2
555E38Very low37.7Very low131 Ų131157.1 Ų157.161%0.61279%0.794SS**  trans-167.177.4144.8-110.4176.9155.400110.4G557 R559E555-G557 PolarHBondContact O-N 3.31Å; E555-R559 VanDerWaalsContact CD-NH1 3.26Å; E555-R559 IonicContact OE1-CZ 2.62Å; E555-R559 IonicContact OE1-NH1 2.84Å; E555-R559 PolarHBondContact OE1-NH1 2.81Å; E555-R559 IonicContact OE2-CZ 3.85Å; E555-R559 IonicContact OE2-NH1 3.43Å; E555-R559 PolarHBondContact OE2-NH1 3.26Å; E555-R559 IonicContact OE2-NH2 3.3Å; E555-R559 PolarHBondContact OE2-NH2 3.46Å
556S35.2Very low38.4Very low136 Ų136152.7 Ų152.795%0.95179%0.788SS**  trans-85.677147590000106.6
557G34.9Very low39Very low41 Ų41152.5 Ų152.542%0.42379%0.788SS.*  trans-124.3127.6-179.100000109.2E555 R559E555-G557 PolarHBondContact O-N 3.31Å; G557-R559 PolarHBondContact O-N 3.17Å
558W31.6Very low39.7Very low264 Ų264155.4 Ų155.4100%180%0.797SS**  trans-45107.5155.2-72.182.9000108
559R42.3Very low40.2Very low169 Ų169151.9 Ų151.964%0.63879%0.791SS**  trans-89.8123.7179.5-69.3-164.4-174.2-874109.3E555 G557E555-R559 VanDerWaalsContact CD-NH1 3.26Å; E555-R559 IonicContact OE1-CZ 2.62Å; E555-R559 IonicContact OE1-NH1 2.84Å; E555-R559 PolarHBondContact OE1-NH1 2.81Å; E555-R559 IonicContact OE2-CZ 3.85Å; E555-R559 IonicContact OE2-NH1 3.43Å; E555-R559 PolarHBondContact OE2-NH1 3.26Å; E555-R559 IonicContact OE2-NH2 3.3Å; E555-R559 PolarHBondContact OE2-NH2 3.46Å; G557-R559 PolarHBondContact O-N 3.17Å
560P41.3Very low40.4Very low119 Ų119152.2 Ų152.277%0.77381%0.81SS**  trans-66.7137.5159-5.521.9000108.4K562P560-K562 PolarHBondContact O-N 2.83Å; P560-K562 VanDerWaalsContact O-N 3.14Å
561V40.7Very low40.5Very low123 Ų123151.6 Ų151.675%0.74581%0.808SS**  trans-66.3109.9174179.40000108.4F563V561-F563 HydrophobicContact CG1-CE2 4.21Å; V561-F563 HydrophobicContact CG1-CZ 4.39Å
562K42.4Very low40.8Very low201 Ų201151.9 Ų151.987%0.87481%0.81SS**  trans-92.5107175-156.5167.5-176.2172.10108.2P560 R564P560-K562 PolarHBondContact O-N 2.83Å; P560-K562 VanDerWaalsContact O-N 3.14Å; K562-R564 PolarHBondContact O-N 3.46Å
563F42.9Very low41.2Very low180 Ų180151.8 Ų151.879%0.78981%0.809SS**  trans-67.5127.1172.3-71.8-87.2000109.7V561V561-F563 HydrophobicContact CG1-CE2 4.21Å; V561-F563 HydrophobicContact CG1-CZ 4.39Å
564R49Very low41.4Very low247 Ų247153.4 Ų153.493%0.93281%0.811SS**  trans-80.1117.2164.4-87.9-176.8-169.8152.62.6108.3K562 G566K562-R564 PolarHBondContact O-N 3.46Å; R564-G566 PolarHBondContact O-N 2.88Å
565I45.9Very low42Very low159 Ų159156.6 Ų156.682%0.81582%0.818SS**  trans-75114155.2-75.9129.7000106.6Q567I565-Q567 PolarHBondContact O-N 3.46Å
566G49.5Very low42.3Very low68 Ų68158.3 Ų158.370%0.70183%0.831SS**  trans-72.4119168.700000109.1R564R564-G566 PolarHBondContact O-N 2.88Å
567Q45.9Very low42.8Very low191 Ų191159.9 Ų159.989%0.89382%0.823SS**  trans-74.7117.3158.3-73.3-179.4100107.5I565I565-Q567 PolarHBondContact O-N 3.46Å
568T48.3Very low43.4Very low142 Ų142169.1 Ų169.187%0.87185%0.853SS**  trans-85.8108.1159.651.30000107.1
569A47.5Very low44.3Very low93 Ų93161.2 Ų161.277%0.76984%0.841SS**  trans-84.4158.2154.700000108.4
570N36.3Very low44.5Very low242 Ų242160.5 Ų160.5100%1.29486%0.86SS**  trans-320175.1-77.4-23.7000116.6

Retrieved 570 of 570 residues in 107.6 ms (Link to these results)

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