A0A087YJZ6_POEFO Loading...

BR serine/threonine kinase 2

AlphaFold DB , UniProt , Accession A0A087YJZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 829 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
1M33Very low31.3Very low230 Ų230133.9 Ų133.9100%1.13382%0.817SS**  085.10-60.4178.9-177.500107.5
2T34.1Very low31.6Very low138 Ų138136.6 Ų136.685%0.84781%0.813SS**  cis7283.314.168.50000117.7
3S27.7Very low32.1Very low108 Ų108139.2 Ų139.276%0.75580%0.802SS**  trans-163.4109.1132.143.90000107.7
4S30.9Very low33.2Very low116 Ų116131.2 Ų131.281%0.81176%0.761SS**  48.2112.679.773.10000112.7
5G39.7Very low36.4Very low79 Ų79129 Ų12981%0.81475%0.745SS**  cis96.970.71100000112.1
6K31.8Very low39.6Very low200 Ų200126 Ų12687%0.8772%0.718SS**  trans-156.4125.9168-97.2174.7-179.9175.80107.6
7D29.5Very low42.6Very low170 Ų170118.7 Ų118.791%0.90968%0.677SS**  trans173.352.3140.2-87.2-7.6000110.5
8A30.7Very low45.1Very low103 Ų103112.7 Ų112.785%0.85165%0.646SS**SBendtrans-127.240.5172.700000109.9
9N27.8Very low47.5Very low138 Ų138107.5 Ų107.574%0.73862%0.616SS**  trans-151.646.1-176.4-140.613.1000115V11N9-V11 VanDerWaalsContact C-N 3.27Å; N9-V11 PolarHBondContact O-N 2.6Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.5Å
10S27.8Very low49.8Very low107 Ų107102.8 Ų102.875%0.74859%0.588SS**  trans-91.468.7155.6-164.40000109H12S10-H12 PolarHBondContact O-N 3.31Å
11V31.3Very low51.8Low84 Ų84102.7 Ų102.751%0.50958%0.578SS.*  trans-71.297.3170.1174.60000106.8N9 Y13N9-V11 VanDerWaalsContact C-N 3.27Å; N9-V11 PolarHBondContact O-N 2.6Å; N9-V11 WeakPolarHBondContact OD1-CG2 3.5Å; V11-Y13 VanDerWaalsContact O-CD2 3.32Å; V11-Y13 WeakPolarHBondContact O-CD2 3.41Å; V11-Y13 PolarHBondContact O-N 3.05Å
12H34.8Very low54.7Low166 Ų16692.9 Ų92.977%0.76953%0.53SS*.  trans-53.8112.2163.2-77.5-69.2000107.8S10 A14S10-H12 PolarHBondContact O-N 3.31Å; H12-A14 PolarHBondContact O-N 3.16Å
13Y38.3Very low57.5Low170 Ų17089.2 Ų89.267%0.66750%0.503SS*.  trans-6584.2178.7-76.7-94.1000109.8V11 N15V11-Y13 VanDerWaalsContact O-CD2 3.32Å; V11-Y13 WeakPolarHBondContact O-CD2 3.41Å; V11-Y13 PolarHBondContact O-N 3.05Å; Y13-N15 PolarHBondContact O-N 3.08Å; Y13-N15 VanDerWaalsContact O-N 3.15Å
14A47.5Very low60.6Low28 Ų2890.7 Ų90.723%0.23150%0.496CS..  trans-65.3113.9175.300000108.1H12 Y16 R21H12-A14 PolarHBondContact O-N 3.16Å; A14-Y16 HydrophobicContact CB-CE2 3.87Å; A14-Y16 WeakPolarHBondContact O-CD2 3.48Å; A14-Y16 VanDerWaalsContact O-CE2 3.29Å; A14-Y16 WeakPolarHBondContact O-CE2 3.5Å; A14-Y16 PolarHBondContact O-N 3.13Å; A14-Y16 VanDerWaalsContact O-N 3.14Å; A14-R21 HydrophobicContact CB-CG 4.01Å
15N81.6Confident63.4Low98 Ų9888.4 Ų88.452%0.52448%0.477SS..  trans-70.7110.3174.9-73.6-35.4000108.4Y13 L22Y13-N15 PolarHBondContact O-N 3.08Å; Y13-N15 VanDerWaalsContact O-N 3.15Å; N15-L22 HydrophobicContact CB-CD1 4.08Å; N15-L22 WeakPolarHBondContact O-CB 3.34Å; N15-L22 WeakPolarHBondContact O-CD1 3.34Å; N15-L22 VanDerWaalsContact O-CG 3.23Å; N15-L22 WeakPolarHBondContact O-CG 3.28Å; N15-L22 PolarHBondContact O-N 2.88Å; N15-L22 VanDerWaalsContact O-N 3.11Å
16Y87.1Confident65.7Low81 Ų8188.3 Ų88.332%0.31846%0.458SS..EExtended strand (participates in β ladder)trans-89.8149.7175.6-65.1-84.6000111A14 Y20 R21 C40 P354A14-Y16 HydrophobicContact CB-CE2 3.87Å; A14-Y16 WeakPolarHBondContact O-CD2 3.48Å; A14-Y16 VanDerWaalsContact O-CE2 3.29Å; A14-Y16 WeakPolarHBondContact O-CE2 3.5Å; A14-Y16 PolarHBondContact O-N 3.13Å; A14-Y16 VanDerWaalsContact O-N 3.14Å; Y16-Y20 WeakPolarHBondContact CA-O 3.39Å; Y16-R21 HydrophobicContact CD1-CB 3.96Å; Y16-R21 HydrophobicContact CD1-CG 4.3Å; Y16-R21 HydrophobicContact CE1-CB 3.64Å; Y16-R21 HydrophobicContact CE1-CG 3.75Å; Y16-C40 VanDerWaalsContact CE1-SG 3.57Å; Y16-P354 HydrophobicContact CD1-CG 3.86Å; Y16-P354 HydrophobicContact CD2-CG 4.37Å; Y16-P354 HydrophobicContact CE1-CG 4.06Å; Y16-P354 HydrophobicContact CG-CG 4.05Å
17V89.9Confident68Low2 Ų280.2 Ų80.21%0.01243%0.431CS..EExtended strand (participates in β ladder)trans-125.8105.5166.6178.10000105.6Y20 L22 I48 Y86 Y93 P363V17-Y20 PolarHBondContact N-O 2.87Å; V17-Y20 WeakPolarHBondContact O-CB 3.37Å; V17-Y20 VanDerWaalsContact O-CD2 3.3Å; V17-Y20 WeakPolarHBondContact O-CD2 3.28Å; V17-Y20 PolarHBondContact O-N 2.83Å; V17-L22 HydrophobicContact CG2-CD1 3.85Å; V17-L22 HydrophobicContact CG2-CD2 4.21Å; V17-L22 HydrophobicContact CG2-CG 4.06Å; V17-I48 HydrophobicContact CB-CD1 4.41Å; V17-Y86 HydrophobicContact CG1-CD1 4.19Å; V17-Y86 HydrophobicContact CG1-CD2 3.72Å; V17-Y86 HydrophobicContact CG1-CE2 4.41Å; V17-Y86 HydrophobicContact CG1-CG 3.63Å; V17-Y93 HydrophobicContact CG1-CD1 4.2Å; V17-Y93 HydrophobicContact CG1-CG 4.09Å; V17-Y93 HydrophobicContact CG2-CD1 3.6Å; V17-Y93 HydrophobicContact CG2-CE1 3.8Å; V17-Y93 HydrophobicContact CG2-CG 4.31Å; V17-P363 HydrophobicContact CG1-CB 4.37Å
18G88.8Confident70.3Confident11 Ų1180.6 Ų80.611%0.11343%0.425CS..THydrogen-bonded Turntrans52.6-130.9-169.200000111.9Y20 Y86G18-Y20 PolarHBondContact O-N 3.4Å; G18-Y86 VanDerWaalsContact CA-CE1 3.46Å
19P90.4Very high72Confident14 Ų1478.1 Ų78.19%0.09141%0.409CS..THydrogen-bonded Turntrans-79.13.117735.4-36.1000113.5C40 Y86P19-C40 WeakPolarHBondContact O-CB 3.33Å; P19-C40 PolarHBondContact O-N 2.84Å; P19-C40 PolarHBondContact O-SG 2.94Å; P19-Y86 VanDerWaalsContact CD-OH 3.28Å; P19-Y86 WeakPolarHBondContact CD-OH 3.33Å
20Y92.9Very high73.8Confident13 Ų1378.9 Ų78.95%0.05141%0.408CS..EExtended strand (participates in β ladder)trans-100.2121.6-174.7-51.5-81.5000112.1Y16 V17 G18 L38 H39 V46 I48 D84 Y86 V95Y16-Y20 WeakPolarHBondContact CA-O 3.39Å; V17-Y20 PolarHBondContact N-O 2.87Å; V17-Y20 WeakPolarHBondContact O-CB 3.37Å; V17-Y20 VanDerWaalsContact O-CD2 3.3Å; V17-Y20 WeakPolarHBondContact O-CD2 3.28Å; V17-Y20 PolarHBondContact O-N 2.83Å; G18-Y20 PolarHBondContact O-N 3.4Å; Y20-L38 CarbonylContact C-O 3.57Å; Y20-L38 WeakPolarHBondContact CA-O 3.29Å; Y20-H39 HydrophobicContact CD1-CB 3.74Å; Y20-H39 HydrophobicContact CE1-CB 3.76Å; Y20-H39 AromaticContact CE1-CD2 3.56Å; Y20-H39 AromaticContact CZ-CD2 3.93Å; Y20-V46 HydrophobicContact CD1-CB 4.5Å; Y20-V46 HydrophobicContact CD1-CG1 4.25Å; Y20-V46 HydrophobicContact CD1-CG2 3.46Å; Y20-V46 VanDerWaalsContact CD1-CG2 3.46Å; Y20-V46 HydrophobicContact CE1-CB 4.47Å; Y20-V46 HydrophobicContact CE1-CG1 3.8Å; Y20-V46 HydrophobicContact CE1-CG2 3.88Å; Y20-V46 HydrophobicContact CG-CG2 4.07Å; Y20-I48 HydrophobicContact CD2-CD1 4.48Å; Y20-I48 HydrophobicContact CG-CD1 4.16Å; Y20-D84 WeakPolarHBondContact CE2-OD2 3.02Å; Y20-D84 PolarHBondContact OH-OD2 2.72Å; Y20-Y86 HydrophobicContact CD2-CE2 4.25Å; Y20-Y86 AromaticContact CE2-CE2 3.97Å; Y20-Y86 HydrophobicContact CE2-CE2 3.97Å; Y20-V95 HydrophobicContact CD2-CG1 4.27Å; Y20-V95 HydrophobicContact CD2-CG2 4.09Å; Y20-V95 HydrophobicContact CE1-CG1 4.09Å; Y20-V95 HydrophobicContact CE2-CB 4.41Å; Y20-V95 HydrophobicContact CE2-CG1 3.85Å; Y20-V95 HydrophobicContact CE2-CG2 3.98Å
21R92.9Very high75.5Confident101 Ų10175.5 Ų75.538%0.38138%0.383SS..EExtended strand (participates in β ladder)trans-78.4119.5170.9-169.6176.572.2-162.43.7109.7A14 Y16 E23 G37 L38A14-R21 HydrophobicContact CB-CG 4.01Å; Y16-R21 HydrophobicContact CD1-CB 3.96Å; Y16-R21 HydrophobicContact CD1-CG 4.3Å; Y16-R21 HydrophobicContact CE1-CB 3.64Å; Y16-R21 HydrophobicContact CE1-CG 3.75Å; R21-E23 IonicContact CZ-OE1 2.72Å; R21-E23 IonicContact NE-OE1 3.51Å; R21-E23 PolarHBondContact NE-OE1 3.23Å; R21-E23 IonicContact NH2-OE1 2.63Å; R21-E23 PolarHBondContact NH2-OE1 3.39Å; R21-G37 VanDerWaalsContact O-CA 3.28Å; R21-G37 WeakPolarHBondContact O-CA 3.33Å; R21-L38 PolarHBondContact N-O 3.29Å; R21-L38 PolarHBondContact O-N 3.06Å
22L93.1Very high77.6Confident23 Ų2372.6 Ų72.612%0.1237%0.37CS..EExtended strand (participates in β ladder)trans-73.6135.1174.5-64.8172.9000111.4N15 V17 K35 I48 I50N15-L22 HydrophobicContact CB-CD1 4.08Å; N15-L22 WeakPolarHBondContact O-CB 3.34Å; N15-L22 WeakPolarHBondContact O-CD1 3.34Å; N15-L22 VanDerWaalsContact O-CG 3.23Å; N15-L22 WeakPolarHBondContact O-CG 3.28Å; N15-L22 PolarHBondContact O-N 2.88Å; N15-L22 VanDerWaalsContact O-N 3.11Å; V17-L22 HydrophobicContact CG2-CD1 3.85Å; V17-L22 HydrophobicContact CG2-CD2 4.21Å; V17-L22 HydrophobicContact CG2-CG 4.06Å; L22-K35 HydrophobicContact CB-CD 4.13Å; L22-K35 HydrophobicContact CD1-CD 4.36Å; L22-K35 HydrophobicContact CD2-CB 4.11Å; L22-K35 HydrophobicContact CD2-CD 4.24Å; L22-I48 HydrophobicContact CD2-CB 4.04Å; L22-I48 HydrophobicContact CD2-CD1 3.82Å; L22-I48 HydrophobicContact CD2-CG1 4.38Å; L22-I48 HydrophobicContact CD2-CG2 4.17Å; L22-I50 HydrophobicContact CD1-CD1 4.14Å; L22-I50 HydrophobicContact CD2-CD1 4.44Å
23E93Very high80.2Confident62 Ų6267 Ų6729%0.2935%0.345SS..EExtended strand (participates in β ladder)trans-119.2-137.7177.7-54.1-158.6146.800111R21 K35 L36 L38R21-E23 IonicContact CZ-OE1 2.72Å; R21-E23 IonicContact NE-OE1 3.51Å; R21-E23 PolarHBondContact NE-OE1 3.23Å; R21-E23 IonicContact NH2-OE1 2.63Å; R21-E23 PolarHBondContact NH2-OE1 3.39Å; E23-K35 PolarHBondContact O-NZ 3.18Å; E23-L36 HydrophobicContact CB-CB 4.34Å; E23-L36 HydrophobicContact CB-CD2 4.36Å; E23-L36 HydrophobicContact CB-CG 4.34Å; E23-L36 PolarHBondContact N-O 3.31Å; E23-L36 WeakPolarHBondContact OE2-CD2 3.44Å; E23-L38 HydrophobicContact CG-CG 4.42Å; E23-L38 WeakPolarHBondContact OE1-CD1 3.41Å
24K91.9Very high82.7Confident139 Ų13960.9 Ų60.960%0.60433%0.325SS*.EExtended strand (participates in β ladder)trans-62148.9-179.565.4-178.8-179.8179.10112.5K35 L36K24-K35 WeakPolarHBondContact O-CA 3.43Å; K24-L36 HydrophobicContact CG-CB 4.14Å; K24-L36 HydrophobicContact CG-CD2 4.27Å; K24-L36 PolarHBondContact O-N 2.96Å
25T91.4Very high84.9Confident67 Ų6761.8 Ų61.841%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-62.7134.8164.2-58.20000110G27 K28 L33T25-G27 WeakPolarHBondContact CG2-O 3.13Å; T25-K28 HydrophobicContact CG2-CG 4.39Å; T25-L33 HydrophobicContact CG2-CD1 3.52Å
26L86.3Confident85.5Confident78 Ų7857.7 Ų57.741%0.40830%0.302SS..EExtended strand (participates in β ladder)trans-97-40.3170.2-64.1174.4000110.8V34 L36 A47L26-V34 HydrophobicContact CB-CG1 4.25Å; L26-V34 HydrophobicContact CD1-CG1 4.43Å; L26-V34 PolarHBondContact N-O 3.1Å; L26-L36 HydrophobicContact CD1-CB 4.13Å; L26-L36 HydrophobicContact CD2-CB 4.19Å; L26-L36 HydrophobicContact CG-CB 4.11Å; L26-A47 HydrophobicContact CD1-CB 4.23Å
27G80.9Confident86Confident29 Ų2953.8 Ų53.830%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-159.1168.4-179.600000113.8T25 V34T25-G27 WeakPolarHBondContact CG2-O 3.13Å; G27-V34 PolarHBondContact N-O 2.9Å; G27-V34 PolarHBondContact O-N 3.23Å
28K77.8Confident86.2Confident179 Ų17955.5 Ų55.578%0.77830%0.296SS*.EExtended strand (participates in β ladder)trans-136.5132.3172.7-74.3178.6176.5-178.40107.9T25 L33T25-K28 HydrophobicContact CG2-CG 4.39Å; K28-L33 HydrophobicContact CD-CD1 4.33Å; K28-L33 HydrophobicContact CG-CD1 3.57Å
29G67.3Low86.4Confident50 Ų5056.6 Ų56.652%0.51530%0.298SS..EExtended strand (participates in β ladder)trans-143.5-179.8177.800000111.6T31 G32G29-T31 VanDerWaalsContact C-N 3.25Å; G29-T31 PolarHBondContact O-N 3.24Å; G29-G32 PolarHBondContact N-O 3.37Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.15Å; G29-G32 VanDerWaalsContact O-O 3.13Å
30Q65Low86.3Confident154 Ų15458.9 Ų58.972%0.7231%0.314SS*.THydrogen-bonded Turntrans-58.4-35.9-176.5-174179.66.600113.2
31T63.8Low86Confident37 Ų3764.1 Ų64.123%0.22735%0.346CS..THydrogen-bonded Turntrans-82.7-14.1-178.9490000114G29 V60G29-T31 VanDerWaalsContact C-N 3.25Å; G29-T31 PolarHBondContact O-N 3.24Å; T31-V60 HydrophobicContact CG2-CG1 4.49Å
32G75.3Confident86Confident23 Ų2363.6 Ų63.624%0.23736%0.355CS..EExtended strand (participates in β ladder)trans155.1-158.3178.900000116.9G29 I50G29-G32 PolarHBondContact N-O 3.37Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.15Å; G29-G32 VanDerWaalsContact O-O 3.13Å; G32-I50 VanDerWaalsContact CA-O 3.32Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å
33L88.7Confident85.8Confident48 Ų4864.8 Ų64.825%0.25137%0.373SS..EExtended strand (participates in β ladder)trans-111.5123.8-175.9176.172000109.8T25 K28 K35 I50T25-L33 HydrophobicContact CG2-CD1 3.52Å; K28-L33 HydrophobicContact CD-CD1 4.33Å; K28-L33 HydrophobicContact CG-CD1 3.57Å; L33-K35 HydrophobicContact CD2-CG 4.3Å; L33-K35 HydrophobicContact CG-CG 4.33Å; L33-I50 HydrophobicContact CB-CB 4.47Å; L33-I50 PolarHBondContact N-O 3.34Å; L33-I50 WeakPolarHBondContact O-CB 3.09Å; L33-I50 PolarHBondContact O-N 3.47Å
34V90.9Very high85.8Confident41 Ų4165.9 Ų65.925%0.24838%0.378CS..EExtended strand (participates in β ladder)trans-98126.2173.9-173.10000109.6L26 G27 A47 I48 K49L26-V34 HydrophobicContact CB-CG1 4.25Å; L26-V34 HydrophobicContact CD1-CG1 4.43Å; L26-V34 PolarHBondContact N-O 3.1Å; G27-V34 PolarHBondContact N-O 2.9Å; G27-V34 PolarHBondContact O-N 3.23Å; V34-A47 HydrophobicContact CG1-CB 4.16Å; V34-I48 WeakPolarHBondContact CA-O 3.48Å; V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.29Å
35K94Very high86Confident48 Ų4864.7 Ų64.721%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-117.1153.9175.3-75.4-163.2163.7-148.90112.2L22 E23 K24 L33 A47 I48 I50L22-K35 HydrophobicContact CB-CD 4.13Å; L22-K35 HydrophobicContact CD1-CD 4.36Å; L22-K35 HydrophobicContact CD2-CB 4.11Å; L22-K35 HydrophobicContact CD2-CD 4.24Å; E23-K35 PolarHBondContact O-NZ 3.18Å; K24-K35 WeakPolarHBondContact O-CA 3.43Å; L33-K35 HydrophobicContact CD2-CG 4.3Å; L33-K35 HydrophobicContact CG-CG 4.33Å; K35-A47 CarbonylContact O-C 3.44Å; K35-A47 WeakPolarHBondContact O-CA 3.47Å; K35-I48 PolarHBondContact N-O 3.37Å; K35-I48 PolarHBondContact O-N 2.84Å; K35-I50 HydrophobicContact CD-CD1 4.16Å; K35-I50 HydrophobicContact CG-CD1 4.3Å
36L95.1Very high86.2Confident11 Ų1161.5 Ų61.56%0.05835%0.353CS..EExtended strand (participates in β ladder)trans-69.9134.1160.8174.862.2000108.6E23 K24 L26 K45 H98E23-L36 HydrophobicContact CB-CB 4.34Å; E23-L36 HydrophobicContact CB-CD2 4.36Å; E23-L36 HydrophobicContact CB-CG 4.34Å; E23-L36 PolarHBondContact N-O 3.31Å; E23-L36 WeakPolarHBondContact OE2-CD2 3.44Å; K24-L36 HydrophobicContact CG-CB 4.14Å; K24-L36 HydrophobicContact CG-CD2 4.27Å; K24-L36 PolarHBondContact O-N 2.96Å; L26-L36 HydrophobicContact CD1-CB 4.13Å; L26-L36 HydrophobicContact CD2-CB 4.19Å; L26-L36 HydrophobicContact CG-CB 4.11Å; L36-K45 HydrophobicContact CD1-CB 4.15Å; L36-K45 HydrophobicContact CD1-CG 4.24Å; L36-H98 VanDerWaalsContact CD1-CD2 3.43Å; L36-H98 WeakPolarHBondContact CD1-CD2 3.25Å
37G96Very high86.7Confident0 Ų058.4 Ų58.40%034%0.338CS..EExtended strand (participates in β ladder)trans-117.9146.3164.800000111R21 K45 V46R21-G37 VanDerWaalsContact O-CA 3.28Å; R21-G37 WeakPolarHBondContact O-CA 3.33Å; G37-K45 WeakPolarHBondContact O-CA 3.28Å; G37-V46 PolarHBondContact N-O 3.39Å; G37-V46 WeakPolarHBondContact O-CG2 3.32Å; G37-V46 PolarHBondContact O-N 3.5Å
38L94.6Very high87.4Confident37 Ų3757 Ų5719%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-113.8125166.8-63.1-172.8000110Y20 R21 E23 C40 Q44 K45Y20-L38 CarbonylContact C-O 3.57Å; Y20-L38 WeakPolarHBondContact CA-O 3.29Å; R21-L38 PolarHBondContact N-O 3.29Å; R21-L38 PolarHBondContact O-N 3.06Å; E23-L38 HydrophobicContact CG-CG 4.42Å; E23-L38 WeakPolarHBondContact OE1-CD1 3.41Å; L38-C40 PolarHBondContact O-N 2.95Å; L38-Q44 WeakPolarHBondContact CA-O 3.11Å; L38-K45 HydrophobicContact CD2-CB 4.35Å; L38-K45 HydrophobicContact CD2-CG 3.53Å
39H92.8Very high88.1Confident34 Ų3449.3 Ų49.316%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-67.6122.1172.1-173.7-60.1000109.9Y20 V41 T42 G43 Q44Y20-H39 HydrophobicContact CD1-CB 3.74Å; Y20-H39 HydrophobicContact CE1-CB 3.76Å; Y20-H39 AromaticContact CE1-CD2 3.56Å; Y20-H39 AromaticContact CZ-CD2 3.93Å; H39-V41 VanDerWaalsContact C-N 3.35Å; H39-V41 PolarHBondContact ND1-N 3.03Å; H39-V41 PolarHBondContact O-N 2.72Å; H39-T42 WeakPolarHBondContact CB-OG1 3.5Å; H39-T42 VanDerWaalsContact CG-OG1 3.3Å; H39-T42 PolarHBondContact ND1-N 3.42Å; H39-T42 PolarHBondContact ND1-OG1 2.78Å; H39-G43 WeakPolarHBondContact O-CA 3.49Å; H39-G43 PolarHBondContact O-N 2.67Å; H39-Q44 HydrophobicContact CB-CB 4.15Å; H39-Q44 PolarHBondContact N-O 2.9Å
40C88.9Confident89.2Confident63 Ų6347.9 Ų47.943%0.42627%0.271SS..THydrogen-bonded Turntrans-63.1-35.4-167.5-64.30000114.2Y16 P19 L38Y16-C40 VanDerWaalsContact CE1-SG 3.57Å; P19-C40 WeakPolarHBondContact O-CB 3.33Å; P19-C40 PolarHBondContact O-N 2.84Å; P19-C40 PolarHBondContact O-SG 2.94Å; L38-C40 PolarHBondContact O-N 2.95Å
41V87.3Confident90.4Very high122 Ų12240.6 Ų40.674%0.73924%0.237SC*.THydrogen-bonded Turntrans-83.1-53178.9-171.20000112.9H39H39-V41 VanDerWaalsContact C-N 3.35Å; H39-V41 PolarHBondContact ND1-N 3.03Å; H39-V41 PolarHBondContact O-N 2.72Å
42T91.1Very high91.6Very high90 Ų9039.9 Ų39.955%0.55223%0.232SC*.THydrogen-bonded Turntrans-85.4-13.5-172.961.40000114.6H39 Q44H39-T42 WeakPolarHBondContact CB-OG1 3.5Å; H39-T42 VanDerWaalsContact CG-OG1 3.3Å; H39-T42 PolarHBondContact ND1-N 3.42Å; H39-T42 PolarHBondContact ND1-OG1 2.78Å; T42-Q44 PolarHBondContact O-N 2.95Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.42Å; T42-Q44 PolarHBondContact OG1-N 3.37Å
43G89.9Confident92.1Very high49 Ų4941.9 Ų41.951%0.50523%0.232SC..  trans69.75.1-171.500000114.5H39 K45H39-G43 WeakPolarHBondContact O-CA 3.49Å; H39-G43 PolarHBondContact O-N 2.67Å; G43-K45 PolarHBondContact O-N 2.77Å
44Q93.6Very high91.9Very high85 Ų8545.1 Ų45.140%0.39725%0.246SC..  trans-62.6132.9-177.1-178.3177.5-1200111.6L38 H39 T42L38-Q44 WeakPolarHBondContact CA-O 3.11Å; H39-Q44 HydrophobicContact CB-CB 4.15Å; H39-Q44 PolarHBondContact N-O 2.9Å; T42-Q44 PolarHBondContact O-N 2.95Å; T42-Q44 WeakPolarHBondContact OG1-CB 3.42Å; T42-Q44 PolarHBondContact OG1-N 3.37Å
45K95.7Very high91.5Very high114 Ų11451.3 Ų51.350%0.49627%0.27SS..EExtended strand (participates in β ladder)trans-80.9134.3172.5-67.5169.2-177.6168.10110.3L36 G37 L38 G43 H98L36-K45 HydrophobicContact CD1-CB 4.15Å; L36-K45 HydrophobicContact CD1-CG 4.24Å; G37-K45 WeakPolarHBondContact O-CA 3.28Å; L38-K45 HydrophobicContact CD2-CB 4.35Å; L38-K45 HydrophobicContact CD2-CG 3.53Å; G43-K45 PolarHBondContact O-N 2.77Å; K45-H98 HydrophobicContact CB-CB 3.85Å; K45-H98 WeakPolarHBondContact O-CB 3.28Å
46V96Very high90.7Very high0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-133.3157174.3-67.70000110.5Y20 G37 I48 V95 L96Y20-V46 HydrophobicContact CD1-CB 4.5Å; Y20-V46 HydrophobicContact CD1-CG1 4.25Å; Y20-V46 HydrophobicContact CD1-CG2 3.46Å; Y20-V46 VanDerWaalsContact CD1-CG2 3.46Å; Y20-V46 HydrophobicContact CE1-CB 4.47Å; Y20-V46 HydrophobicContact CE1-CG1 3.8Å; Y20-V46 HydrophobicContact CE1-CG2 3.88Å; Y20-V46 HydrophobicContact CG-CG2 4.07Å; G37-V46 PolarHBondContact N-O 3.39Å; G37-V46 WeakPolarHBondContact O-CG2 3.32Å; G37-V46 PolarHBondContact O-N 3.5Å; V46-I48 HydrophobicContact CG2-CD1 4.02Å; V46-I48 HydrophobicContact CG2-CG1 3.93Å; V46-V95 HydrophobicContact CB-CG1 3.71Å; V46-V95 HydrophobicContact CG1-CG1 3.79Å; V46-V95 HydrophobicContact CG2-CG1 3.84Å; V46-L96 WeakPolarHBondContact CA-O 3.39Å; V46-L96 WeakPolarHBondContact CB-O 3.34Å
47A95.7Very high90Very high12 Ų1252.5 Ų52.510%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-104.2116.2170.500000109L26 V34 K35 L96L26-A47 HydrophobicContact CD1-CB 4.23Å; V34-A47 HydrophobicContact CG1-CB 4.16Å; K35-A47 CarbonylContact O-C 3.44Å; K35-A47 WeakPolarHBondContact O-CA 3.47Å; A47-L96 HydrophobicContact CB-CB 4.41Å; A47-L96 PolarHBondContact N-O 3.1Å; A47-L96 WeakPolarHBondContact O-CA 3.22Å; A47-L96 WeakPolarHBondContact O-CB 3.43Å; A47-L96 PolarHBondContact O-N 3.33Å
48I94.9Very high89.1Confident0 Ų058.2 Ų58.20%031%0.308CS..EExtended strand (participates in β ladder)trans-102.5108.8-176.7-57.8-174000109.1V17 Y20 L22 V34 K35 V46 I50 Y93 L94 V95V17-I48 HydrophobicContact CB-CD1 4.41Å; Y20-I48 HydrophobicContact CD2-CD1 4.48Å; Y20-I48 HydrophobicContact CG-CD1 4.16Å; L22-I48 HydrophobicContact CD2-CB 4.04Å; L22-I48 HydrophobicContact CD2-CD1 3.82Å; L22-I48 HydrophobicContact CD2-CG1 4.38Å; L22-I48 HydrophobicContact CD2-CG2 4.17Å; V34-I48 WeakPolarHBondContact CA-O 3.48Å; K35-I48 PolarHBondContact N-O 3.37Å; K35-I48 PolarHBondContact O-N 2.84Å; V46-I48 HydrophobicContact CG2-CD1 4.02Å; V46-I48 HydrophobicContact CG2-CG1 3.93Å; I48-I50 HydrophobicContact CG2-CG1 4.1Å; I48-Y93 HydrophobicContact CG2-CD1 4.34Å; I48-L94 WeakPolarHBondContact CA-O 3.48Å; I48-V95 HydrophobicContact CD1-CG2 4.23Å; I48-V95 HydrophobicContact CG1-CG1 4.37Å; I48-V95 HydrophobicContact CG1-CG2 4.22Å
49K92.8Very high88.2Confident17 Ų1760.2 Ų60.27%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-84.8106.4176.9-172.5-175-168.3-177.70108.1V34 V51 E67 Y93 L94 L96V34-K49 HydrophobicContact CG2-CB 4.4Å; V34-K49 HydrophobicContact CG2-CG 4.29Å; K49-V51 HydrophobicContact CG-CG2 4.28Å; K49-E67 IonicContact NZ-OE1 3.03Å; K49-E67 PolarHBondContact NZ-OE1 3.4Å; K49-E67 IonicContact NZ-OE2 3.38Å; K49-E67 PolarHBondContact NZ-OE2 3.38Å; K49-Y93 WeakPolarHBondContact O-CA 3.32Å; K49-L94 HydrophobicContact CB-CB 4.26Å; K49-L94 HydrophobicContact CD-CD2 4.43Å; K49-L94 PolarHBondContact N-O 3.17Å; K49-L94 PolarHBondContact O-N 3.23Å; K49-L96 HydrophobicContact CB-CD1 4.03Å; K49-L96 HydrophobicContact CD-CD1 4.3Å
50I92Very high87.4Confident21 Ų2159.3 Ų59.311%0.10832%0.322CS..EExtended strand (participates in β ladder)trans-96.7109.9-176.9-48.7-179.7000108.9L22 G32 L33 K35 I48 Y91 Y93L22-I50 HydrophobicContact CD1-CD1 4.14Å; L22-I50 HydrophobicContact CD2-CD1 4.44Å; G32-I50 VanDerWaalsContact CA-O 3.32Å; G32-I50 WeakPolarHBondContact CA-O 3.45Å; L33-I50 HydrophobicContact CB-CB 4.47Å; L33-I50 PolarHBondContact N-O 3.34Å; L33-I50 WeakPolarHBondContact O-CB 3.09Å; L33-I50 PolarHBondContact O-N 3.47Å; K35-I50 HydrophobicContact CD-CD1 4.16Å; K35-I50 HydrophobicContact CG-CD1 4.3Å; I48-I50 HydrophobicContact CG2-CG1 4.1Å; I50-Y91 HydrophobicContact CG2-CD1 3.98Å; I50-Y91 HydrophobicContact CG2-CG 4.43Å; I50-Y93 HydrophobicContact CB-CD1 4.37Å; I50-Y93 HydrophobicContact CD1-CD1 4.31Å; I50-Y93 HydrophobicContact CD1-CE1 4.27Å; I50-Y93 HydrophobicContact CG1-CD1 3.89Å; I50-Y93 HydrophobicContact CG1-CE1 4.25Å; I50-Y93 HydrophobicContact CG2-CD1 3.95Å; I50-Y93 HydrophobicContact CG2-CE1 3.77Å
51V89.9Confident87.1Confident0 Ų057.4 Ų57.40%031%0.308CS..EExtended strand (participates in β ladder)trans-106.7131-176.2178.90000108.4K49 L56 V64 Y91 L92 L94K49-V51 HydrophobicContact CG-CG2 4.28Å; V51-L56 HydrophobicContact CG1-CD1 3.48Å; V51-L56 VanDerWaalsContact CG1-CD1 3.48Å; V51-V64 HydrophobicContact CG1-CG1 4.48Å; V51-V64 HydrophobicContact CG1-CG2 4.29Å; V51-V64 HydrophobicContact CG2-CG1 4.26Å; V51-Y91 CarbonylContact O-C 3.58Å; V51-Y91 VanDerWaalsContact O-CA 3.27Å; V51-Y91 WeakPolarHBondContact O-CA 3.45Å; V51-L92 HydrophobicContact CB-CB 4.29Å; V51-L92 PolarHBondContact N-O 3.43Å; V51-L92 PolarHBondContact O-N 3Å; V51-L94 HydrophobicContact CG2-CD1 4.18Å
52N88.8Confident86.6Confident23 Ų2354.7 Ų54.712%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-94.3116.1176.6-177.1-51.2000109.5E54 K55 L56 Y91N52-E54 WeakPolarHBondContact OD1-CB 3.11Å; N52-E54 PolarHBondContact OD1-N 2.78Å; N52-E54 VanDerWaalsContact OD1-N 3.07Å; N52-K55 HydrophobicContact CB-CB 4.25Å; N52-K55 PolarHBondContact OD1-N 2.89Å; N52-L56 WeakPolarHBondContact O-CD1 3.24Å; N52-L56 WeakPolarHBondContact O-CG 3.14Å; N52-Y91 HydrophobicContact CB-CD1 3.91Å; N52-Y91 HydrophobicContact CB-CE1 3.74Å; N52-Y91 WeakPolarHBondContact ND2-CE1 3.21Å
53R84.8Confident86.2Confident65 Ų6553.1 Ų53.125%0.24527%0.273CS..SBendtrans-69-43-175.4-58.9174.983.91589111.5K55 L56 L61 E87 K90 L92R53-K55 VanDerWaalsContact C-N 3.26Å; R53-K55 PolarHBondContact O-N 3.07Å; R53-L56 PolarHBondContact O-N 2.69Å; R53-L61 HydrophobicContact CG-CD1 4.47Å; R53-E87 IonicContact CZ-OE1 3.71Å; R53-E87 IonicContact NH1-OE1 2.63Å; R53-E87 PolarHBondContact NH1-OE1 2.99Å; R53-E87 IonicContact NH1-OE2 3.27Å; R53-E87 IonicContact NH2-OE1 2.69Å; R53-K90 PolarHBondContact N-O 3.29Å; R53-L92 HydrophobicContact CG-CB 4.27Å
54E85.6Confident85.9Confident115 Ų11550.9 Ų50.954%0.53725%0.25SC..THydrogen-bonded Turntrans-65.7-23.5-178.2-56.3169.7-178.300114.1N52 K90N52-E54 WeakPolarHBondContact OD1-CB 3.11Å; N52-E54 PolarHBondContact OD1-N 2.78Å; N52-E54 VanDerWaalsContact OD1-N 3.07Å; E54-K90 HydrophobicContact CG-CG 4.31Å; E54-K90 VanDerWaalsContact OE1-CG 3.29Å; E54-K90 WeakPolarHBondContact OE1-CG 3.19Å; E54-K90 IonicContact OE1-NZ 3.97Å; E54-K90 PolarHBondContact OE1-NZ 3.27Å; E54-K90 VanDerWaalsContact OE2-CE 3.32Å; E54-K90 WeakPolarHBondContact OE2-CE 3.27Å; E54-K90 IonicContact OE2-NZ 3.51Å; E54-K90 PolarHBondContact OE2-NZ 3.2Å
55K81.6Confident85.5Confident171 Ų17147.6 Ų47.674%0.74323%0.234SC*.THydrogen-bonded Turntrans-99.32.7-174.7-70.9-166.8174.1-1620114.4N52 R53N52-K55 HydrophobicContact CB-CB 4.25Å; N52-K55 PolarHBondContact OD1-N 2.89Å; R53-K55 VanDerWaalsContact C-N 3.26Å; R53-K55 PolarHBondContact O-N 3.07Å
56L76.8Confident84.9Confident42 Ų4244.3 Ų44.322%0.2222%0.219CC..SBendtrans-115.9146.3-178.3-65.3176000110.1V51 N52 R53 V60V51-L56 HydrophobicContact CG1-CD1 3.48Å; V51-L56 VanDerWaalsContact CG1-CD1 3.48Å; N52-L56 WeakPolarHBondContact O-CD1 3.24Å; N52-L56 WeakPolarHBondContact O-CG 3.14Å; R53-L56 PolarHBondContact O-N 2.69Å; L56-V60 HydrophobicContact CB-CB 4.4Å; L56-V60 HydrophobicContact CB-CG1 4.46Å; L56-V60 HydrophobicContact CD1-CG1 4.19Å; L56-V60 HydrophobicContact CD2-CG1 4.04Å; L56-V60 HydrophobicContact CG-CG1 4.46Å
57S81.3Confident84.6Confident43 Ų4344.5 Ų44.530%0.30122%0.22SC..  trans-70.1154.2169.858.40000110.3S59 V60 L61S57-S59 PolarHBondContact O-N 3.35Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact OG-OG 2.82Å; S57-V60 WeakPolarHBondContact O-CA 3.44Å; S57-V60 PolarHBondContact O-N 3.15Å; S57-V60 WeakPolarHBondContact OG-CG2 3.43Å; S57-L61 PolarHBondContact O-N 2.7Å
58E78.1Confident84.2Confident120 Ų12044.1 Ų44.156%0.56122%0.216SC*.Hα-helixtrans-52.3-39.6176-163.555.6-125.600111.9V60 L61 M62E58-V60 PolarHBondContact O-N 2.65Å; E58-V60 VanDerWaalsContact O-N 3.13Å; E58-L61 PolarHBondContact O-N 3.23Å; E58-M62 WeakPolarHBondContact O-CB 3.34Å; E58-M62 VanDerWaalsContact O-CG 3.29Å; E58-M62 WeakPolarHBondContact O-CG 3.46Å; E58-M62 PolarHBondContact O-N 3.31Å; E58-M62 VanDerWaalsContact OE1-CE 3.25Å; E58-M62 WeakPolarHBondContact OE1-CE 3.5Å
59S73.9Confident83.8Confident78 Ų7844.2 Ų44.255%0.54522%0.216SC..Hα-helixtrans-63.5-12.817557.70000115.7S57 K63S57-S59 PolarHBondContact O-N 3.35Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact OG-OG 2.82Å; S59-K63 WeakPolarHBondContact O-CE 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.32Å
60V77.6Confident83.5Confident16 Ų1643.4 Ų43.410%0.09721%0.213CC..Hα-helixtrans-105-34.8171.4179.50000110.8T31 L56 S57 E58 M62 K63 V64T31-V60 HydrophobicContact CG2-CG1 4.49Å; L56-V60 HydrophobicContact CB-CB 4.4Å; L56-V60 HydrophobicContact CB-CG1 4.46Å; L56-V60 HydrophobicContact CD1-CG1 4.19Å; L56-V60 HydrophobicContact CD2-CG1 4.04Å; L56-V60 HydrophobicContact CG-CG1 4.46Å; S57-V60 WeakPolarHBondContact O-CA 3.44Å; S57-V60 PolarHBondContact O-N 3.15Å; S57-V60 WeakPolarHBondContact OG-CG2 3.43Å; E58-V60 PolarHBondContact O-N 2.65Å; E58-V60 VanDerWaalsContact O-N 3.13Å; V60-M62 VanDerWaalsContact C-N 3.32Å; V60-M62 PolarHBondContact O-N 2.63Å; V60-K63 WeakPolarHBondContact O-CB 3.33Å; V60-K63 PolarHBondContact O-N 2.72Å; V60-V64 PolarHBondContact O-N 2.77Å
61L80.9Confident83.3Confident22 Ų2243 Ų4312%0.11521%0.211CC..Hα-helixtrans-59.7-43.9172-174.660.3000111.3R53 S57 E58 K63 V64 E65R53-L61 HydrophobicContact CG-CD1 4.47Å; S57-L61 PolarHBondContact O-N 2.7Å; E58-L61 PolarHBondContact O-N 3.23Å; L61-K63 PolarHBondContact O-N 3.26Å; L61-V64 PolarHBondContact O-N 3.11Å; L61-E65 PolarHBondContact O-N 3.01Å
62M78.1Confident83.1Confident66 Ų6644.2 Ų44.233%0.32522%0.216SC..Hα-helixtrans-58.8-26.6172.6-73-69.1123.300113.9E58 V60 R66E58-M62 WeakPolarHBondContact O-CB 3.34Å; E58-M62 VanDerWaalsContact O-CG 3.29Å; E58-M62 WeakPolarHBondContact O-CG 3.46Å; E58-M62 PolarHBondContact O-N 3.31Å; E58-M62 VanDerWaalsContact OE1-CE 3.25Å; E58-M62 WeakPolarHBondContact OE1-CE 3.5Å; V60-M62 VanDerWaalsContact C-N 3.32Å; V60-M62 PolarHBondContact O-N 2.63Å; M62-R66 VanDerWaalsContact O-CB 3.3Å; M62-R66 WeakPolarHBondContact O-CB 3.37Å; M62-R66 PolarHBondContact O-N 3.13Å; M62-R66 VanDerWaalsContact O-N 3.1Å
63K81.5Confident82.7Confident57 Ų5744.4 Ų44.425%0.24822%0.217CC..Hα-helixtrans-74.6-36.3173-65.6179.6-177.2-172.80111.9S59 V60 L61 E67 G162 M163S59-K63 WeakPolarHBondContact O-CE 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.32Å; V60-K63 WeakPolarHBondContact O-CB 3.33Å; V60-K63 PolarHBondContact O-N 2.72Å; L61-K63 PolarHBondContact O-N 3.26Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 PolarHBondContact O-N 2.89Å; K63-G162 VanDerWaalsContact CB-O 3.31Å; K63-G162 WeakPolarHBondContact CB-O 3.34Å; K63-G162 WeakPolarHBondContact CG-O 3.47Å; K63-M163 HydrophobicContact CD-SD 3.72Å; K63-M163 VanDerWaalsContact CE-SD 3.55Å; K63-M163 PolarHBondContact NZ-SD 2.8Å
64V84.2Confident82.7Confident1 Ų141.8 Ų41.81%0.00621%0.208CC..Hα-helixtrans-73.8-40.6178.4-179.70000110.9V51 V60 L61 R66 E67 I68 L92 L94V51-V64 HydrophobicContact CG1-CG1 4.48Å; V51-V64 HydrophobicContact CG1-CG2 4.29Å; V51-V64 HydrophobicContact CG2-CG1 4.26Å; V60-V64 PolarHBondContact O-N 2.77Å; L61-V64 PolarHBondContact O-N 3.11Å; V64-R66 VanDerWaalsContact C-N 3.33Å; V64-E67 WeakPolarHBondContact O-CB 3.29Å; V64-E67 PolarHBondContact O-N 3.26Å; V64-I68 HydrophobicContact CG1-CD1 4.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 2.7Å; V64-L92 HydrophobicContact CG1-CD2 3.79Å; V64-L94 HydrophobicContact CG1-CD1 4.07Å
65E85.6Confident82.7Confident16 Ų1639.9 Ų39.98%0.07520%0.199CC..Hα-helixtrans-66.9-34.3173.4-67.4-74.1-163.400111.6L61 I68 A69 R366L61-E65 PolarHBondContact O-N 3.01Å; E65-I68 PolarHBondContact O-N 3.34Å; E65-A69 WeakPolarHBondContact O-CB 3.44Å; E65-A69 PolarHBondContact O-N 2.82Å; E65-R366 VanDerWaalsContact CD-NH2 3.29Å; E65-R366 IonicContact OE1-CZ 3.2Å; E65-R366 VanDerWaalsContact OE1-CZ 3.3Å; E65-R366 IonicContact OE1-NH1 2.68Å; E65-R366 PolarHBondContact OE1-NH1 2.91Å; E65-R366 IonicContact OE1-NH2 2.72Å; E65-R366 PolarHBondContact OE1-NH2 2.98Å; E65-R366 IonicContact OE2-CZ 3.36Å; E65-R366 IonicContact OE2-NH1 2.66Å; E65-R366 PolarHBondContact OE2-NH1 2.93Å; E65-R366 IonicContact OE2-NH2 2.76Å; E65-R366 PolarHBondContact OE2-NH2 2.72Å; E65-R366 VanDerWaalsContact OE2-NH2 3.07Å
66R83.7Confident83.1Confident45 Ų4532.3 Ų32.317%0.1717%0.166CC..Hα-helixtrans-64.6-45.4168.4-174.2-175.4-55.8159.28.7112.8M62 V64 I68 A69 I70 A164 L310M62-R66 VanDerWaalsContact O-CB 3.3Å; M62-R66 WeakPolarHBondContact O-CB 3.37Å; M62-R66 PolarHBondContact O-N 3.13Å; M62-R66 VanDerWaalsContact O-N 3.1Å; V64-R66 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.47Å; R66-A69 PolarHBondContact O-N 2.91Å; R66-I70 HydrophobicContact CG-CD1 3.73Å; R66-I70 HydrophobicContact CG-CG1 4.25Å; R66-I70 WeakPolarHBondContact O-CB 3.47Å; R66-I70 WeakPolarHBondContact O-CG1 3.42Å; R66-I70 PolarHBondContact O-N 3.34Å; R66-A164 WeakPolarHBondContact CD-O 3.23Å; R66-A164 PolarHBondContact NH1-O 3.36Å; R66-L310 HydrophobicContact CG-CD2 4.46Å; R66-L310 PolarHBondContact NE-O 3.16Å
67E88.4Confident83.9Confident5 Ų533.1 Ų33.12%0.02317%0.174CC..Hα-helixtrans-55.6-43.4175.4-175-171.6-171.100110.1K49 K63 V64 L71 F161K49-E67 IonicContact NZ-OE1 3.03Å; K49-E67 PolarHBondContact NZ-OE1 3.4Å; K49-E67 IonicContact NZ-OE2 3.38Å; K49-E67 PolarHBondContact NZ-OE2 3.38Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 PolarHBondContact O-N 2.89Å; V64-E67 WeakPolarHBondContact O-CB 3.29Å; V64-E67 PolarHBondContact O-N 3.26Å; E67-L71 HydrophobicContact CG-CD1 3.91Å; E67-L71 HydrophobicContact CG-CG 4.47Å; E67-L71 VanDerWaalsContact O-CB 3.26Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.14Å; E67-L71 PolarHBondContact O-N 2.94Å; E67-F161 HydrophobicContact CG-CB 4.46Å
68I88.1Confident84.5Confident4 Ų431.9 Ų31.92%0.02116%0.163CC..Hα-helixtrans-62.8-50.2173.9-70.1165.7000111.5V64 E65 R66 I70 L71 K72 L82 V85 L92 L94V64-I68 HydrophobicContact CG1-CD1 4.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.39Å; V64-I68 PolarHBondContact O-N 2.7Å; E65-I68 PolarHBondContact O-N 3.34Å; R66-I68 PolarHBondContact O-N 3.47Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 3.12Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-K72 HydrophobicContact CG2-CD 4.3Å; I68-K72 HydrophobicContact CG2-CG 4.38Å; I68-K72 WeakPolarHBondContact O-CB 3.28Å; I68-K72 VanDerWaalsContact O-CG 3.31Å; I68-K72 WeakPolarHBondContact O-CG 3.36Å; I68-K72 PolarHBondContact O-N 2.73Å; I68-L82 HydrophobicContact CG2-CD2 4.31Å; I68-V85 HydrophobicContact CD1-CG1 4.18Å; I68-V85 HydrophobicContact CD1-CG2 4.19Å; I68-V85 HydrophobicContact CG1-CG2 4.19Å; I68-V85 HydrophobicContact CG2-CG2 4.02Å; I68-L92 HydrophobicContact CD1-CD1 4.43Å; I68-L92 HydrophobicContact CD1-CD2 3.86Å; I68-L92 HydrophobicContact CD1-CG 4.38Å; I68-L94 HydrophobicContact CD1-CD1 4.13Å; I68-L94 HydrophobicContact CD1-CD2 4.18Å; I68-L94 HydrophobicContact CD1-CG 4.01Å; I68-L94 HydrophobicContact CG1-CD1 4.49Å; I68-L94 HydrophobicContact CG1-CD2 3.64Å; I68-L94 HydrophobicContact CG1-CG 3.9Å
69A85.6Confident85.3Confident1 Ų126.3 Ų26.31%0.00814%0.138CC..Hα-helixtrans-62-39.4-178.300000112.4E65 R66 L73 S306 L310E65-A69 WeakPolarHBondContact O-CB 3.44Å; E65-A69 PolarHBondContact O-N 2.82Å; R66-A69 PolarHBondContact O-N 2.91Å; A69-L73 PolarHBondContact O-N 3.39Å; A69-S306 WeakPolarHBondContact CB-O 3.3Å; A69-L310 HydrophobicContact CB-CD2 3.61Å; A69-L310 HydrophobicContact CB-CG 4.12Å
70I86.8Confident86.2Confident1 Ų123.2 Ų23.21%0.00512%0.115CC..Hα-helixtrans-70.3-48.4175.8-70.3176000111.2R66 I68 K72 L73 I74 I138 F161 A164 L310R66-I70 HydrophobicContact CG-CD1 3.73Å; R66-I70 HydrophobicContact CG-CG1 4.25Å; R66-I70 WeakPolarHBondContact O-CB 3.47Å; R66-I70 WeakPolarHBondContact O-CG1 3.42Å; R66-I70 PolarHBondContact O-N 3.34Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 3.12Å; I70-K72 PolarHBondContact O-N 2.79Å; I70-L73 WeakPolarHBondContact O-CA 3.48Å; I70-L73 WeakPolarHBondContact O-CB 3.2Å; I70-L73 PolarHBondContact O-N 3.39Å; I70-I74 HydrophobicContact CG2-CD1 3.97Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 WeakPolarHBondContact O-CG1 3.18Å; I70-I74 PolarHBondContact O-N 3.21Å; I70-I74 VanDerWaalsContact O-N 3.09Å; I70-I138 HydrophobicContact CD1-CG2 4.27Å; I70-I138 HydrophobicContact CG2-CD1 4.27Å; I70-I138 HydrophobicContact CG2-CG2 4Å; I70-F161 HydrophobicContact CB-CB 4.49Å; I70-F161 HydrophobicContact CG2-CB 4.03Å; I70-F161 HydrophobicContact CG2-CD1 3.58Å; I70-F161 HydrophobicContact CG2-CE1 4.27Å; I70-F161 HydrophobicContact CG2-CG 3.95Å; I70-A164 HydrophobicContact CD1-CB 3.68Å; I70-L310 HydrophobicContact CG1-CD2 3.79Å
71L88.6Confident86.9Confident11 Ų1126.1 Ų26.16%0.05813%0.126CC..Hα-helixtrans-69.7-15.6177.5-66.4178.6000113.5E67 I68 V79 L82 L96 F161E67-L71 HydrophobicContact CG-CD1 3.91Å; E67-L71 HydrophobicContact CG-CG 4.47Å; E67-L71 VanDerWaalsContact O-CB 3.26Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.14Å; E67-L71 PolarHBondContact O-N 2.94Å; I68-L71 PolarHBondContact O-N 2.88Å; L71-V79 HydrophobicContact CD2-CG1 4.13Å; L71-L82 HydrophobicContact CB-CB 3.79Å; L71-L82 HydrophobicContact CB-CD2 4.02Å; L71-L82 HydrophobicContact CD1-CB 4.46Å; L71-L96 HydrophobicContact CD1-CD2 4.17Å; L71-F161 HydrophobicContact CD2-CD2 3.73Å; L71-F161 HydrophobicContact CD2-CE2 4.04Å; L71-F161 HydrophobicContact CD2-CG 4.41Å; L71-F161 HydrophobicContact CG-CD2 4.47Å
72K84.9Confident87.4Confident27 Ų2725.8 Ų25.812%0.11712%0.124CC..Hα-helixtrans-73.2-37.4164.3-82.7-173.6177-1690111.7I68 I70 L82 R341I68-K72 HydrophobicContact CG2-CD 4.3Å; I68-K72 HydrophobicContact CG2-CG 4.38Å; I68-K72 WeakPolarHBondContact O-CB 3.28Å; I68-K72 VanDerWaalsContact O-CG 3.31Å; I68-K72 WeakPolarHBondContact O-CG 3.36Å; I68-K72 PolarHBondContact O-N 2.73Å; I70-K72 PolarHBondContact O-N 2.79Å; K72-L82 HydrophobicContact CG-CD2 4.31Å; K72-R341 WeakPolarHBondContact O-CD 3.41Å; K72-R341 WeakPolarHBondContact O-CG 3.29Å; K72-R341 PolarHBondContact O-NE 3.2Å
73L81.3Confident88Confident26 Ų2625.1 Ų25.114%0.13612%0.12CC..Hα-helixtrans-74-45.9-176.9-91.3163.9000113.6A69 I70 L337 L338A69-L73 PolarHBondContact O-N 3.39Å; I70-L73 WeakPolarHBondContact O-CA 3.48Å; I70-L73 WeakPolarHBondContact O-CB 3.2Å; I70-L73 PolarHBondContact O-N 3.39Å; L73-L337 HydrophobicContact CD2-CB 3.67Å; L73-L338 HydrophobicContact CD1-CD2 4.36Å; L73-L338 HydrophobicContact CD1-CG 4.4Å; L73-L338 HydrophobicContact CD2-CD2 4.15Å; L73-L338 HydrophobicContact CD2-CG 3.93Å; L73-L338 HydrophobicContact CG-CD2 3.78Å; L73-L338 HydrophobicContact CG-CG 4.03Å
74I84Confident88.4Confident11 Ų1123.7 Ų23.76%0.05612%0.116CC..  trans-99.5138.7-169.165.4-176.4000113.6I70 V79 F132 I138 F161I70-I74 HydrophobicContact CG2-CD1 3.97Å; I70-I74 HydrophobicContact CG2-CG1 4.5Å; I70-I74 WeakPolarHBondContact O-CG1 3.18Å; I70-I74 PolarHBondContact O-N 3.21Å; I70-I74 VanDerWaalsContact O-N 3.09Å; I74-V79 HydrophobicContact CD1-CG1 3.97Å; I74-V79 HydrophobicContact CG1-CG1 4.25Å; I74-F132 HydrophobicContact CB-CE1 4.04Å; I74-F132 HydrophobicContact CG2-CE1 4.3Å; I74-I138 HydrophobicContact CG2-CD1 3.5Å; I74-F161 HydrophobicContact CD1-CD1 4.29Å; I74-F161 HydrophobicContact CD1-CE1 3.63Å; I74-F161 HydrophobicContact CD1-CE2 4.35Å; I74-F161 HydrophobicContact CD1-CZ 3.67Å
75E86.8Confident88.8Confident75 Ų7524.1 Ų24.135%0.3512%0.118SC..  trans-136.5107.8173.6179.8164.6-143.800109.6K81 F132 Y345E75-K81 WeakPolarHBondContact OE1-CE 3.29Å; E75-K81 IonicContact OE1-NZ 2.69Å; E75-K81 PolarHBondContact OE1-NZ 2.64Å; E75-F132 WeakPolarHBondContact O-CZ 3.43Å; E75-Y345 WeakPolarHBondContact OE2-CE2 3.45Å; E75-Y345 PolarHBondContact OE2-OH 3.12Å
76H90.3Very high89.1Confident11 Ų1123.4 Ų23.45%0.05112%0.115CC..  trans-144.6140.6-175.5-178.6-86.9000110.6H78 V79 S128 A129 F132 P283H76-H78 PolarHBondContact ND1-N 2.86Å; H76-H78 PolarHBondContact O-N 2.86Å; H76-V79 HydrophobicContact CB-CB 4.18Å; H76-V79 HydrophobicContact CB-CG2 3.91Å; H76-V79 PolarHBondContact O-N 3.46Å; H76-S128 PolarHBondContact NE2-O 2.82Å; H76-S128 PolarHBondContact NE2-OG 2.76Å; H76-A129 WeakPolarHBondContact CE1-CA 3.46Å; H76-A129 PolarHBondContact CE1-N 2.87Å; H76-F132 HydrophobicContact CB-CD1 3.8Å; H76-F132 HydrophobicContact CB-CE1 4.09Å; H76-F132 HydrophobicContact CB-CG 4.17Å; H76-F132 VanDerWaalsContact CD2-CB 3.48Å; H76-F132 WeakPolarHBondContact CD2-CB 3.26Å; H76-F132 AromaticContact CD2-CD2 3.9Å; H76-F132 AromaticContact CD2-CG 3.54Å; H76-P283 HydrophobicContact CB-CG 4.3Å; H76-P283 WeakPolarHBondContact CD2-CD 3.39Å
77P92.1Very high89.4Confident60 Ų6023.4 Ų23.439%0.3912%0.117SC..THydrogen-bonded Turntrans-63.3-14.1-174.925.3-36.6000115.1R157P77-R157 WeakPolarHBondContact O-CD 3.13Å; P77-R157 VanDerWaalsContact O-CZ 3.28Å; P77-R157 PolarHBondContact O-NE 3.21Å
78H95Very high89.4Confident16 Ų1624.3 Ų24.37%0.07412%0.122CC..THydrogen-bonded Turntrans-112.916174.4-61-52.6000114.4H76 Q125 A129 I156 R157 I158H76-H78 PolarHBondContact ND1-N 2.86Å; H76-H78 PolarHBondContact O-N 2.86Å; H78-Q125 HydrophobicContact CB-CB 4.42Å; H78-Q125 VanDerWaalsContact CE1-CD 3.4Å; H78-Q125 PolarHBondContact CE1-NE2 3.18Å; H78-Q125 VanDerWaalsContact CE1-NE2 3.31Å; H78-Q125 WeakPolarHBondContact NE2-CG 3.49Å; H78-A129 HydrophobicContact CB-CB 4.02Å; H78-I156 WeakPolarHBondContact CA-O 3.35Å; H78-I156 PolarHBondContact ND1-O 3.01Å; H78-R157 CarbonylContact O-C 3.51Å; H78-R157 WeakPolarHBondContact O-CA 3.44Å; H78-I158 PolarHBondContact O-N 3.29Å
79V93.9Very high89.3Confident4 Ų432.3 Ų32.32%0.02416%0.157CC..BIsolated β-bridgetrans-109.2149167174.30000108.8L71 I74 H76 K81 A129 R157 F161L71-V79 HydrophobicContact CD2-CG1 4.13Å; I74-V79 HydrophobicContact CD1-CG1 3.97Å; I74-V79 HydrophobicContact CG1-CG1 4.25Å; H76-V79 HydrophobicContact CB-CB 4.18Å; H76-V79 HydrophobicContact CB-CG2 3.91Å; H76-V79 PolarHBondContact O-N 3.46Å; V79-K81 PolarHBondContact O-N 2.6Å; V79-A129 HydrophobicContact CG2-CB 4.02Å; V79-R157 PolarHBondContact O-NH1 2.77Å; V79-F161 HydrophobicContact CG1-CE2 3.84Å; V79-F161 HydrophobicContact CG1-CZ 4.01Å; V79-F161 HydrophobicContact CG2-CZ 4.32Å
80L93.4Very high89.4Confident12 Ų1236 Ų366%0.06317%0.172CC..PPolyproline II helixtrans-72.8117.8175.3-175.270.6000110.4L96 E97 V99 L149 I158 A159L80-L96 HydrophobicContact CD2-CB 4.3Å; L80-L96 HydrophobicContact CD2-CD1 4.05Å; L80-E97 HydrophobicContact CD1-CB 4.07Å; L80-V99 HydrophobicContact CD1-CG2 3.49Å; L80-V99 VanDerWaalsContact CD1-CG2 3.49Å; L80-L149 HydrophobicContact CD1-CD1 4.38Å; L80-L149 HydrophobicContact CD2-CD1 4.27Å; L80-I158 WeakPolarHBondContact CB-O 3.44Å; L80-I158 PolarHBondContact N-O 3.33Å; L80-A159 HydrophobicContact CB-CB 4.19Å; L80-A159 HydrophobicContact CD2-CB 3.8Å
81K91.8Very high89.6Confident77 Ų7739.6 Ų39.634%0.33519%0.186SC..PPolyproline II helixtrans-76135-176.9-176.4165.1-178.2170.40112.7E75 V79 L96 E97E75-K81 WeakPolarHBondContact OE1-CE 3.29Å; E75-K81 IonicContact OE1-NZ 2.69Å; E75-K81 PolarHBondContact OE1-NZ 2.64Å; V79-K81 PolarHBondContact O-N 2.6Å; K81-L96 CarbonylContact O-C 3.5Å; K81-L96 WeakPolarHBondContact O-CA 3.49Å; K81-E97 HydrophobicContact CB-CB 4.24Å; K81-E97 PolarHBondContact N-OE2 3.17Å; K81-E97 PolarHBondContact O-N 2.96Å
82L92.4Very high89.7Confident15 Ų1539 Ų398%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-87.6127.3162.3179.166.2000109.3I68 L71 K72 D84 V85 L94 L96I68-L82 HydrophobicContact CG2-CD2 4.31Å; L71-L82 HydrophobicContact CB-CB 3.79Å; L71-L82 HydrophobicContact CB-CD2 4.02Å; L71-L82 HydrophobicContact CD1-CB 4.46Å; K72-L82 HydrophobicContact CG-CD2 4.31Å; L82-D84 WeakPolarHBondContact CD1-O 3.28Å; L82-V85 HydrophobicContact CD1-CG2 4.14Å; L82-V85 HydrophobicContact CD2-CG2 4.09Å; L82-L94 HydrophobicContact CD1-CB 4Å; L82-L94 HydrophobicContact CD1-CG 4.49Å; L82-L96 HydrophobicContact CB-CD2 4.19Å; L82-L96 HydrophobicContact CD1-CD2 3.74Å
83H90.4Very high90.1Very high52 Ų5238.8 Ų38.824%0.24118%0.182CC..EExtended strand (participates in β ladder)trans-94-57.7177-65.3-62.2000111.5V95H83-V95 HydrophobicContact CB-CG1 4.26Å; H83-V95 WeakPolarHBondContact CB-O 3.25Å; H83-V95 PolarHBondContact N-O 2.87Å
84D89.4Confident90.7Very high27 Ų2737.6 Ų37.614%0.14418%0.176CC..EExtended strand (participates in β ladder)trans-142.5162.4-175.3-69.7-57.8000110.6Y20 L82 Y86 V95 K365Y20-D84 WeakPolarHBondContact CE2-OD2 3.02Å; Y20-D84 PolarHBondContact OH-OD2 2.72Å; L82-D84 WeakPolarHBondContact CD1-O 3.28Å; D84-Y86 HydrophobicContact CB-CD2 4.19Å; D84-Y86 HydrophobicContact CB-CE2 3.45Å; D84-Y86 VanDerWaalsContact CB-CE2 3.45Å; D84-Y86 PolarHBondContact OD2-OH 3.4Å; D84-V95 HydrophobicContact CB-CB 4.06Å; D84-V95 HydrophobicContact CB-CG2 4.12Å; D84-V95 PolarHBondContact N-O 2.96Å; D84-V95 PolarHBondContact O-N 3.47Å; D84-K365 WeakPolarHBondContact OD1-CE 3.48Å; D84-K365 IonicContact OD1-NZ 2.72Å; D84-K365 PolarHBondContact OD1-NZ 3.5Å; D84-K365 IonicContact OD2-NZ 2.88Å
85V91.9Very high91.2Very high11 Ų1137 Ų377%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-125.1135.4165.4179.30000109.2I68 L82 L92 Y93 R366I68-V85 HydrophobicContact CD1-CG1 4.18Å; I68-V85 HydrophobicContact CD1-CG2 4.19Å; I68-V85 HydrophobicContact CG1-CG2 4.19Å; I68-V85 HydrophobicContact CG2-CG2 4.02Å; L82-V85 HydrophobicContact CD1-CG2 4.14Å; L82-V85 HydrophobicContact CD2-CG2 4.09Å; V85-L92 HydrophobicContact CG1-CD1 3.55Å; V85-Y93 WeakPolarHBondContact CA-O 3.38Å; V85-R366 HydrophobicContact CB-CB 4.26Å; V85-R366 HydrophobicContact CG1-CB 4.26Å; V85-R366 PolarHBondContact O-N 3.26Å
86Y91.7Very high91.5Very high0 Ų034 Ų340%016%0.159CC..EExtended strand (participates in β ladder)trans-124.1153.5171.1-58.5-108000109.7V17 G18 P19 Y20 D84 Y93 V95 D350 R364 K365V17-Y86 HydrophobicContact CG1-CD1 4.19Å; V17-Y86 HydrophobicContact CG1-CD2 3.72Å; V17-Y86 HydrophobicContact CG1-CE2 4.41Å; V17-Y86 HydrophobicContact CG1-CG 3.63Å; G18-Y86 VanDerWaalsContact CA-CE1 3.46Å; P19-Y86 VanDerWaalsContact CD-OH 3.28Å; P19-Y86 WeakPolarHBondContact CD-OH 3.33Å; Y20-Y86 HydrophobicContact CD2-CE2 4.25Å; Y20-Y86 AromaticContact CE2-CE2 3.97Å; Y20-Y86 HydrophobicContact CE2-CE2 3.97Å; D84-Y86 HydrophobicContact CB-CD2 4.19Å; D84-Y86 HydrophobicContact CB-CE2 3.45Å; D84-Y86 VanDerWaalsContact CB-CE2 3.45Å; D84-Y86 PolarHBondContact OD2-OH 3.4Å; Y86-Y93 PolarHBondContact N-O 3.43Å; Y86-Y93 WeakPolarHBondContact O-CD2 3.29Å; Y86-Y93 PolarHBondContact O-N 3.15Å; Y86-V95 HydrophobicContact CD2-CG2 3.78Å; Y86-V95 HydrophobicContact CE2-CG2 3.67Å; Y86-D350 VanDerWaalsContact CE1-OD2 3.28Å; Y86-D350 WeakPolarHBondContact CE1-OD2 3.47Å; Y86-D350 PolarHBondContact OH-OD1 2.84Å; Y86-D350 PolarHBondContact OH-OD2 3.29Å; Y86-R364 CarbonylContact C-O 3.57Å; Y86-R364 WeakPolarHBondContact CA-O 3.46Å; Y86-R364 WeakPolarHBondContact CB-O 3.38Å; Y86-K365 VanDerWaalsContact CD1-CA 3.45Å; Y86-K365 HydrophobicContact CD1-CB 3.79Å; Y86-K365 HydrophobicContact CD1-CG 4.32Å; Y86-K365 HydrophobicContact CE1-CB 3.59Å; Y86-K365 HydrophobicContact CE1-CD 3.95Å; Y86-K365 HydrophobicContact CE1-CG 3.9Å
87E91.1Very high91.7Very high46 Ų4635.6 Ų35.622%0.21517%0.167CC..EExtended strand (participates in β ladder)trans-147.4161.217560-175.2-99.500113.1R53 Y91 L92 R364 R366R53-E87 IonicContact CZ-OE1 3.71Å; R53-E87 IonicContact NH1-OE1 2.63Å; R53-E87 PolarHBondContact NH1-OE1 2.99Å; R53-E87 IonicContact NH1-OE2 3.27Å; R53-E87 IonicContact NH2-OE1 2.69Å; E87-Y91 WeakPolarHBondContact CA-O 3.4Å; E87-L92 HydrophobicContact CB-CD1 3.9Å; E87-R364 PolarHBondContact N-O 3.17Å; E87-R364 PolarHBondContact O-N 3.18Å; E87-R366 VanDerWaalsContact OE2-CD 3.32Å; E87-R366 WeakPolarHBondContact OE2-CD 3.47Å; E87-R366 IonicContact OE2-CZ 3.41Å; E87-R366 IonicContact OE2-NE 2.85Å; E87-R366 IonicContact OE2-NH1 3.68Å; E87-R366 PolarHBondContact OE2-NH1 3.01Å
88N88.2Confident91.9Very high24 Ų2434.8 Ų34.813%0.12816%0.157CC..  trans-137.6-171.1159.176.5-0.1000108.3K90 Y91 D361N88-K90 PolarHBondContact O-N 3.41Å; N88-K90 VanDerWaalsContact O-N 3.12Å; N88-K90 PolarHBondContact OD1-N 2.95Å; N88-K90 VanDerWaalsContact OD1-N 3.09Å; N88-Y91 PolarHBondContact N-O 3.46Å; N88-Y91 PolarHBondContact OD1-N 3.38Å; N88-D361 VanDerWaalsContact CB-OD2 3.32Å; N88-D361 WeakPolarHBondContact CB-OD2 3.41Å; N88-D361 PolarHBondContact ND2-O 3.35Å
89K85.9Confident91.8Very high172 Ų17235.4 Ų35.475%0.74816%0.162SC*.SBendtrans-60-27.6-175.6-63.9170-172.9178.40113.3D361K89-D361 VanDerWaalsContact CB-OD2 3.26Å; K89-D361 WeakPolarHBondContact CB-OD2 3.29Å; K89-D361 VanDerWaalsContact CG-OD2 3.23Å; K89-D361 WeakPolarHBondContact CG-OD2 3.32Å; K89-D361 PolarHBondContact N-OD2 3.3Å
90K87.5Confident91.6Very high77 Ų7737.6 Ų37.634%0.33518%0.178SC..SBendtrans-107.9-31.5-169.6-175.3170.8-15489.90113.8R53 E54 N88R53-K90 PolarHBondContact N-O 3.29Å; E54-K90 HydrophobicContact CG-CG 4.31Å; E54-K90 VanDerWaalsContact OE1-CG 3.29Å; E54-K90 WeakPolarHBondContact OE1-CG 3.19Å; E54-K90 IonicContact OE1-NZ 3.97Å; E54-K90 PolarHBondContact OE1-NZ 3.27Å; E54-K90 VanDerWaalsContact OE2-CE 3.32Å; E54-K90 WeakPolarHBondContact OE2-CE 3.27Å; E54-K90 IonicContact OE2-NZ 3.51Å; E54-K90 PolarHBondContact OE2-NZ 3.2Å; N88-K90 PolarHBondContact O-N 3.41Å; N88-K90 VanDerWaalsContact O-N 3.12Å; N88-K90 PolarHBondContact OD1-N 2.95Å; N88-K90 VanDerWaalsContact OD1-N 3.09Å
91Y90.3Very high91.2Very high77 Ų7738.8 Ų38.830%0.30219%0.193SC..EExtended strand (participates in β ladder)trans-132.8145.7-170.3-64.2-74.3000112.7I50 V51 N52 E87 N88 Y93I50-Y91 HydrophobicContact CG2-CD1 3.98Å; I50-Y91 HydrophobicContact CG2-CG 4.43Å; V51-Y91 CarbonylContact O-C 3.58Å; V51-Y91 VanDerWaalsContact O-CA 3.27Å; V51-Y91 WeakPolarHBondContact O-CA 3.45Å; N52-Y91 HydrophobicContact CB-CD1 3.91Å; N52-Y91 HydrophobicContact CB-CE1 3.74Å; N52-Y91 WeakPolarHBondContact ND2-CE1 3.21Å; E87-Y91 WeakPolarHBondContact CA-O 3.4Å; N88-Y91 PolarHBondContact N-O 3.46Å; N88-Y91 PolarHBondContact OD1-N 3.38Å; Y91-Y93 VanDerWaalsContact CB-CE2 3.42Å
92L91.3Very high91Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-115.7136.3170.5-178.665000107.6V51 R53 V64 I68 V85 E87 L94V51-L92 HydrophobicContact CB-CB 4.29Å; V51-L92 PolarHBondContact N-O 3.43Å; V51-L92 PolarHBondContact O-N 3Å; R53-L92 HydrophobicContact CG-CB 4.27Å; V64-L92 HydrophobicContact CG1-CD2 3.79Å; I68-L92 HydrophobicContact CD1-CD1 4.43Å; I68-L92 HydrophobicContact CD1-CD2 3.86Å; I68-L92 HydrophobicContact CD1-CG 4.38Å; V85-L92 HydrophobicContact CG1-CD1 3.55Å; E87-L92 HydrophobicContact CB-CD1 3.9Å; L92-L94 HydrophobicContact CD2-CD1 4.38Å; L92-L94 HydrophobicContact CG-CD1 4.07Å
93Y93Very high90.8Very high22 Ų2238.6 Ų38.69%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-129.1103.6-170.5-54.9-105000108.9V17 I48 K49 I50 V85 Y86 Y91 P363V17-Y93 HydrophobicContact CG1-CD1 4.2Å; V17-Y93 HydrophobicContact CG1-CG 4.09Å; V17-Y93 HydrophobicContact CG2-CD1 3.6Å; V17-Y93 HydrophobicContact CG2-CE1 3.8Å; V17-Y93 HydrophobicContact CG2-CG 4.31Å; I48-Y93 HydrophobicContact CG2-CD1 4.34Å; K49-Y93 WeakPolarHBondContact O-CA 3.32Å; I50-Y93 HydrophobicContact CB-CD1 4.37Å; I50-Y93 HydrophobicContact CD1-CD1 4.31Å; I50-Y93 HydrophobicContact CD1-CE1 4.27Å; I50-Y93 HydrophobicContact CG1-CD1 3.89Å; I50-Y93 HydrophobicContact CG1-CE1 4.25Å; I50-Y93 HydrophobicContact CG2-CD1 3.95Å; I50-Y93 HydrophobicContact CG2-CE1 3.77Å; V85-Y93 WeakPolarHBondContact CA-O 3.38Å; Y86-Y93 PolarHBondContact N-O 3.43Å; Y86-Y93 WeakPolarHBondContact O-CD2 3.29Å; Y86-Y93 PolarHBondContact O-N 3.15Å; Y91-Y93 VanDerWaalsContact CB-CE2 3.42Å; Y93-P363 HydrophobicContact CD2-CB 4.28Å; Y93-P363 HydrophobicContact CD2-CG 4.43Å; Y93-P363 HydrophobicContact CE1-CG 4.41Å; Y93-P363 HydrophobicContact CE2-CB 3.97Å; Y93-P363 HydrophobicContact CE2-CG 3.7Å
94L93.4Very high90.8Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-89.2121.4175.7-63.669.6000108I48 K49 V51 V64 I68 L82 L92 L96I48-L94 WeakPolarHBondContact CA-O 3.48Å; K49-L94 HydrophobicContact CB-CB 4.26Å; K49-L94 HydrophobicContact CD-CD2 4.43Å; K49-L94 PolarHBondContact N-O 3.17Å; K49-L94 PolarHBondContact O-N 3.23Å; V51-L94 HydrophobicContact CG2-CD1 4.18Å; V64-L94 HydrophobicContact CG1-CD1 4.07Å; I68-L94 HydrophobicContact CD1-CD1 4.13Å; I68-L94 HydrophobicContact CD1-CD2 4.18Å; I68-L94 HydrophobicContact CD1-CG 4.01Å; I68-L94 HydrophobicContact CG1-CD1 4.49Å; I68-L94 HydrophobicContact CG1-CD2 3.64Å; I68-L94 HydrophobicContact CG1-CG 3.9Å; L82-L94 HydrophobicContact CD1-CB 4Å; L82-L94 HydrophobicContact CD1-CG 4.49Å; L92-L94 HydrophobicContact CD2-CD1 4.38Å; L92-L94 HydrophobicContact CG-CD1 4.07Å; L94-L96 HydrophobicContact CB-CD2 4.42Å; L94-L96 HydrophobicContact CB-CG 4.31Å; L94-L96 PolarHBondContact O-N 3.4Å
95V94.8Very high90.6Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-91.9101.9175.7-175.20000108.4Y20 V46 I48 H83 D84 Y86Y20-V95 HydrophobicContact CD2-CG1 4.27Å; Y20-V95 HydrophobicContact CD2-CG2 4.09Å; Y20-V95 HydrophobicContact CE1-CG1 4.09Å; Y20-V95 HydrophobicContact CE2-CB 4.41Å; Y20-V95 HydrophobicContact CE2-CG1 3.85Å; Y20-V95 HydrophobicContact CE2-CG2 3.98Å; V46-V95 HydrophobicContact CB-CG1 3.71Å; V46-V95 HydrophobicContact CG1-CG1 3.79Å; V46-V95 HydrophobicContact CG2-CG1 3.84Å; I48-V95 HydrophobicContact CD1-CG2 4.23Å; I48-V95 HydrophobicContact CG1-CG1 4.37Å; I48-V95 HydrophobicContact CG1-CG2 4.22Å; H83-V95 HydrophobicContact CB-CG1 4.26Å; H83-V95 WeakPolarHBondContact CB-O 3.25Å; H83-V95 PolarHBondContact N-O 2.87Å; D84-V95 HydrophobicContact CB-CB 4.06Å; D84-V95 HydrophobicContact CB-CG2 4.12Å; D84-V95 PolarHBondContact N-O 2.96Å; D84-V95 PolarHBondContact O-N 3.47Å; Y86-V95 HydrophobicContact CD2-CG2 3.78Å; Y86-V95 HydrophobicContact CE2-CG2 3.67Å
96L94.8Very high90.2Very high10 Ų1037.5 Ų37.55%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-101.8162-177-56.4167.4000110.8V46 A47 K49 L71 L80 K81 L82 L94V46-L96 WeakPolarHBondContact CA-O 3.39Å; V46-L96 WeakPolarHBondContact CB-O 3.34Å; A47-L96 HydrophobicContact CB-CB 4.41Å; A47-L96 PolarHBondContact N-O 3.1Å; A47-L96 WeakPolarHBondContact O-CA 3.22Å; A47-L96 WeakPolarHBondContact O-CB 3.43Å; A47-L96 PolarHBondContact O-N 3.33Å; K49-L96 HydrophobicContact CB-CD1 4.03Å; K49-L96 HydrophobicContact CD-CD1 4.3Å; L71-L96 HydrophobicContact CD1-CD2 4.17Å; L80-L96 HydrophobicContact CD2-CB 4.3Å; L80-L96 HydrophobicContact CD2-CD1 4.05Å; K81-L96 CarbonylContact O-C 3.5Å; K81-L96 WeakPolarHBondContact O-CA 3.49Å; L82-L96 HydrophobicContact CB-CD2 4.19Å; L82-L96 HydrophobicContact CD1-CD2 3.74Å; L94-L96 HydrophobicContact CB-CD2 4.42Å; L94-L96 HydrophobicContact CB-CG 4.31Å; L94-L96 PolarHBondContact O-N 3.4Å
97E94.3Very high90Very high46 Ų4639.7 Ų39.722%0.21520%0.203CC..EExtended strand (participates in β ladder)trans-58.1138.2169.5179.8171.6-163.800111.9L80 K81 V99 R157L80-E97 HydrophobicContact CD1-CB 4.07Å; K81-E97 HydrophobicContact CB-CB 4.24Å; K81-E97 PolarHBondContact N-OE2 3.17Å; K81-E97 PolarHBondContact O-N 2.96Å; E97-V99 HydrophobicContact CG-CG2 4.38Å; E97-V99 PolarHBondContact O-N 2.99Å; E97-R157 VanDerWaalsContact CD-NH1 3.29Å; E97-R157 IonicContact OE1-CZ 2.64Å; E97-R157 VanDerWaalsContact OE1-CZ 3.24Å; E97-R157 IonicContact OE1-NH1 3.24Å; E97-R157 PolarHBondContact OE1-NH1 3.41Å; E97-R157 IonicContact OE1-NH2 3.38Å; E97-R157 PolarHBondContact OE1-NH2 2.92Å; E97-R157 IonicContact OE2-CZ 3.46Å; E97-R157 IonicContact OE2-NH1 3.41Å; E97-R157 PolarHBondContact OE2-NH1 2.79Å; E97-R157 IonicContact OE2-NH2 3.85Å
98H94.9Very high89.9Confident42 Ų4238 Ų3819%0.19420%0.196CC..  trans-84.4109.2178.7177.5-82.8000111.9L36 K45 S100L36-H98 VanDerWaalsContact CD1-CD2 3.43Å; L36-H98 WeakPolarHBondContact CD1-CD2 3.25Å; K45-H98 HydrophobicContact CB-CB 3.85Å; K45-H98 WeakPolarHBondContact O-CB 3.28Å; H98-S100 PolarHBondContact CE1-OG 3.18Å; H98-S100 PolarHBondContact ND1-OG 2.77Å
99V93Very high89.8Confident29 Ų2939.7 Ų39.718%0.17621%0.207CC..  trans-106.7111.8-179.6-179.20000110.1L80 E97 L149 L150 R157L80-V99 HydrophobicContact CD1-CG2 3.49Å; L80-V99 VanDerWaalsContact CD1-CG2 3.49Å; E97-V99 HydrophobicContact CG-CG2 4.38Å; E97-V99 PolarHBondContact O-N 2.99Å; V99-L149 HydrophobicContact CB-CB 4.34Å; V99-L149 HydrophobicContact CB-CD1 4.43Å; V99-L149 HydrophobicContact CG1-CB 3.68Å; V99-L150 WeakPolarHBondContact CG1-O 3.39Å; V99-R157 HydrophobicContact CG2-CB 4.32Å; V99-R157 HydrophobicContact CG2-CG 4.01Å
100S89.8Confident89.9Confident51 Ų5138.1 Ų38.136%0.35720%0.2SC..  trans-93.7-17.8-163.6-30.90000116.7H98 G102 E152H98-S100 PolarHBondContact CE1-OG 3.18Å; H98-S100 PolarHBondContact ND1-OG 2.77Å; S100-G102 VanDerWaalsContact C-N 3.32Å; S100-G102 PolarHBondContact O-N 2.7Å; S100-E152 VanDerWaalsContact CB-OE1 3.22Å; S100-E152 WeakPolarHBondContact CB-OE1 3.06Å; S100-E152 WeakPolarHBondContact OG-CG 3.49Å; S100-E152 PolarHBondContact OG-OE1 3.05Å
101G85.4Confident90.1Very high36 Ų3639 Ų3937%0.37120%0.204SC..SBendtrans-79.3-10.7-170.900000114.8L150G101-L150 WeakPolarHBondContact CA-O 3.03Å; G101-L150 PolarHBondContact N-O 3.11Å
102G88.1Confident90Very high31 Ų3137.4 Ų37.432%0.3221%0.211SC..  trans91.9-155.1-176.500000112.6S100 L149 L150S100-G102 VanDerWaalsContact C-N 3.32Å; S100-G102 PolarHBondContact O-N 2.7Å; G102-L149 CarbonylContact O-C 3.57Å; G102-L149 WeakPolarHBondContact O-CA 3.44Å; G102-L150 PolarHBondContact O-N 2.82Å
103E88.6Confident90.1Very high58 Ų5843.3 Ų43.327%0.27123%0.234SC..BIsolated β-bridgetrans-95.7150.9-179-64.7157.3-137.700111.1F105 D106 Y107 L149E103-F105 PolarHBondContact O-N 3.18Å; E103-D106 HydrophobicContact CB-CB 4.27Å; E103-D106 WeakPolarHBondContact O-CB 3.46Å; E103-D106 PolarHBondContact O-N 3.01Å; E103-Y107 PolarHBondContact O-N 2.97Å; E103-Y107 VanDerWaalsContact O-N 3.12Å; E103-L149 HydrophobicContact CG-CD2 3.94Å
104L90.4Very high90.2Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-61.2-33.3174.4-179.465000111.6Y107 L108 F122 I126 L148 L150 I156 L210L104-Y107 WeakPolarHBondContact O-CB 3.46Å; L104-Y107 PolarHBondContact O-N 2.73Å; L104-L108 PolarHBondContact O-N 3.14Å; L104-F122 HydrophobicContact CD1-CD1 4.11Å; L104-F122 HydrophobicContact CD1-CD2 3.95Å; L104-F122 HydrophobicContact CD1-CE1 4.18Å; L104-F122 HydrophobicContact CD1-CE2 4.03Å; L104-F122 HydrophobicContact CD1-CG 3.98Å; L104-F122 HydrophobicContact CD1-CZ 4.13Å; L104-I126 HydrophobicContact CD2-CD1 4.46Å; L104-L148 HydrophobicContact CB-CB 3.9Å; L104-L148 VanDerWaalsContact CB-O 3.28Å; L104-L148 WeakPolarHBondContact CB-O 3.31Å; L104-L148 HydrophobicContact CD2-CB 4.06Å; L104-L148 HydrophobicContact CD2-CD1 3.68Å; L104-L148 PolarHBondContact N-O 3.36Å; L104-L150 HydrophobicContact CD1-CD1 4.3Å; L104-L150 HydrophobicContact CD1-CD2 4.32Å; L104-I156 HydrophobicContact CD1-CD1 4.21Å; L104-I156 HydrophobicContact CD2-CD1 3.83Å; L104-I156 HydrophobicContact CG-CD1 4.41Å; L104-L210 HydrophobicContact CD1-CD2 4.06Å; L104-L210 HydrophobicContact CD2-CD1 4.26Å; L104-L210 HydrophobicContact CD2-CD2 3.93Å; L104-L210 HydrophobicContact CG-CD2 3.95Å
105F84.4Confident90.3Very high34 Ų3446 Ų4615%0.14925%0.253CS..Hα-helixtrans-58.1-48.8170.6-177.3-105.8000112.2E103 Y107 L108 V109 P145 F630E103-F105 PolarHBondContact O-N 3.18Å; F105-Y107 PolarHBondContact O-N 2.61Å; F105-L108 WeakPolarHBondContact O-CA 3.23Å; F105-L108 WeakPolarHBondContact O-CB 3.17Å; F105-L108 PolarHBondContact O-N 2.88Å; F105-V109 HydrophobicContact CD1-CG2 3.92Å; F105-V109 HydrophobicContact CD2-CG2 4.41Å; F105-V109 HydrophobicContact CE1-CG2 3.28Å; F105-V109 HydrophobicContact CE2-CG2 3.83Å; F105-V109 HydrophobicContact CG-CG2 4.45Å; F105-V109 HydrophobicContact CZ-CG2 3.21Å; F105-V109 PolarHBondContact O-N 3.28Å; F105-P145 HydrophobicContact CB-CB 3.84Å; F105-P145 HydrophobicContact CD2-CB 4.47Å; F105-P145 PolarHBondContact N-O 3.27Å; F105-F630 HydrophobicContact CB-CD2 4.33Å; F105-F630 HydrophobicContact CB-CE2 4.09Å; F105-F630 HydrophobicContact CD1-CB 4.34Å; F105-F630 HydrophobicContact CD1-CD1 4.07Å; F105-F630 AromaticContact CD1-CD2 3.24Å; F105-F630 HydrophobicContact CD1-CD2 3.24Å; F105-F630 HydrophobicContact CD1-CE1 4.23Å; F105-F630 AromaticContact CD1-CE2 3.43Å; F105-F630 HydrophobicContact CD1-CE2 3.43Å; F105-F630 VanDerWaalsContact CD1-CE2 3.43Å; F105-F630 AromaticContact CD1-CG 3.61Å; F105-F630 HydrophobicContact CD1-CG 3.61Å; F105-F630 AromaticContact CD1-CZ 3.94Å; F105-F630 HydrophobicContact CD1-CZ 3.94Å; F105-F630 HydrophobicContact CD2-CD2 4.18Å; F105-F630 HydrophobicContact CD2-CE1 4.3Å; F105-F630 AromaticContact CD2-CE2 3.44Å; F105-F630 HydrophobicContact CD2-CE2 3.44Å; F105-F630 VanDerWaalsContact CD2-CE2 3.44Å; F105-F630 AromaticContact CD2-CZ 3.53Å; F105-F630 HydrophobicContact CD2-CZ 3.53Å; F105-F630 HydrophobicContact CE1-CB 4.18Å; F105-F630 AromaticContact CE1-CD1 3.36Å; F105-F630 HydrophobicContact CE1-CD1 3.36Å; F105-F630 AromaticContact CE1-CD2 3.47Å; F105-F630 HydrophobicContact CE1-CD2 3.47Å; F105-F630 VanDerWaalsContact CE1-CD2 3.47Å; F105-F630 AromaticContact CE1-CE1 3.53Å; F105-F630 HydrophobicContact CE1-CE1 3.53Å; F105-F630 AromaticContact CE1-CE2 3.62Å; F105-F630 HydrophobicContact CE1-CE2 3.62Å; F105-F630 AromaticContact CE1-CG 3.35Å; F105-F630 HydrophobicContact CE1-CG 3.35Å; F105-F630 AromaticContact CE1-CZ 3.67Å; F105-F630 HydrophobicContact CE1-CZ 3.67Å; F105-F630 HydrophobicContact CE2-CD1 4.35Å; F105-F630 HydrophobicContact CE2-CD2 4.38Å; F105-F630 AromaticContact CE2-CE1 3.64Å; F105-F630 HydrophobicContact CE2-CE1 3.64Å; F105-F630 AromaticContact CE2-CE2 3.66Å; F105-F630 HydrophobicContact CE2-CE2 3.66Å; F105-F630 AromaticContact CE2-CZ 3.25Å; F105-F630 HydrophobicContact CE2-CZ 3.25Å; F105-F630 AromaticContact CG-CD2 3.62Å; F105-F630 HydrophobicContact CG-CD2 3.62Å; F105-F630 AromaticContact CG-CE2 3.32Å; F105-F630 HydrophobicContact CG-CE2 3.32Å; F105-F630 HydrophobicContact CG-CG 4.38Å; F105-F630 AromaticContact CG-CZ 3.87Å; F105-F630 HydrophobicContact CG-CZ 3.87Å; F105-F630 AromaticContact CZ-CD1 3.54Å; F105-F630 HydrophobicContact CZ-CD1 3.54Å; F105-F630 HydrophobicContact CZ-CD2 4.05Å; F105-F630 AromaticContact CZ-CE1 3.19Å; F105-F630 HydrophobicContact CZ-CE1 3.19Å; F105-F630 AromaticContact CZ-CE2 3.74Å; F105-F630 HydrophobicContact CZ-CE2 3.74Å; F105-F630 AromaticContact CZ-CG 3.98Å; F105-F630 HydrophobicContact CZ-CG 3.98Å; F105-F630 AromaticContact CZ-CZ 3.31Å; F105-F630 HydrophobicContact CZ-CZ 3.31Å
106D82.6Confident90.3Very high33 Ų3348 Ų4818%0.17627%0.266CS..Hα-helixtrans-65.6-22.8-178.1-147.257.7000110.9E103 K110E103-D106 HydrophobicContact CB-CB 4.27Å; E103-D106 WeakPolarHBondContact O-CB 3.46Å; E103-D106 PolarHBondContact O-N 3.01Å; D106-K110 WeakPolarHBondContact O-CD 3.46Å; D106-K110 WeakPolarHBondContact O-CE 3.45Å; D106-K110 WeakPolarHBondContact O-CG 3.49Å; D106-K110 PolarHBondContact O-NZ 3.38Å; D106-K110 WeakPolarHBondContact OD2-CE 3.33Å; D106-K110 IonicContact OD2-NZ 2.89Å; D106-K110 PolarHBondContact OD2-NZ 2.85Å
107Y88.9Confident90.2Very high45 Ų4553.9 Ų53.918%0.17629%0.291CS..Hα-helixtrans-75.8-45.6167.8-169.2-91.1000112.4E103 L104 F105 V109 K110 K111 L114 E118 F122 L150E103-Y107 PolarHBondContact O-N 2.97Å; E103-Y107 VanDerWaalsContact O-N 3.12Å; L104-Y107 WeakPolarHBondContact O-CB 3.46Å; L104-Y107 PolarHBondContact O-N 2.73Å; F105-Y107 PolarHBondContact O-N 2.61Å; Y107-V109 PolarHBondContact O-N 3.25Å; Y107-K110 PolarHBondContact O-N 2.98Å; Y107-K111 HydrophobicContact CD1-CG 4.17Å; Y107-K111 HydrophobicContact CE1-CG 3.86Å; Y107-K111 PolarHBondContact O-N 2.83Å; Y107-K111 WeakPolarHBondContact OH-CE 3.48Å; Y107-K111 PolarHBondContact OH-NZ 3.15Å; Y107-L114 HydrophobicContact CD1-CD2 4.04Å; Y107-L114 HydrophobicContact CE1-CD2 3.83Å; Y107-E118 WeakPolarHBondContact CE1-OE1 3.5Å; Y107-E118 PolarHBondContact OH-OE1 3.39Å; Y107-F122 HydrophobicContact CD1-CE2 4.18Å; Y107-F122 HydrophobicContact CD1-CZ 4.19Å; Y107-F122 AromaticContact CE1-CE2 3.97Å; Y107-F122 HydrophobicContact CE1-CE2 3.97Å; Y107-F122 AromaticContact CE1-CZ 4Å; Y107-F122 HydrophobicContact CE1-CZ 4Å; Y107-L150 HydrophobicContact CD2-CD1 3.99Å; Y107-L150 HydrophobicContact CG-CD1 3.92Å
108L88.8Confident90.2Very high11 Ų1153.9 Ų53.96%0.05829%0.29CS..Hα-helixtrans-58.5-47.3177.7-179.159.9000111.5L104 F105 K110 K111 G112 L114 A209 L210L104-L108 PolarHBondContact O-N 3.14Å; F105-L108 WeakPolarHBondContact O-CA 3.23Å; F105-L108 WeakPolarHBondContact O-CB 3.17Å; F105-L108 PolarHBondContact O-N 2.88Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 2.84Å; L108-K111 CarbonylContact O-C 3.54Å; L108-K111 PolarHBondContact O-N 2.92Å; L108-G112 CarbonylContact O-C 3.44Å; L108-G112 WeakPolarHBondContact O-CA 3.44Å; L108-G112 PolarHBondContact O-N 3.48Å; L108-L114 HydrophobicContact CD1-CG 4.23Å; L108-A209 HydrophobicContact CD2-CB 4.47Å; L108-L210 HydrophobicContact CD2-CD2 4.47Å
109V85.8Confident90.3Very high59 Ų5951.9 Ų51.936%0.35828%0.281SS..Hα-helixtrans-56.3-41.1176.6172.60000112.1F105 Y107 K111 G112 W629F105-V109 HydrophobicContact CD1-CG2 3.92Å; F105-V109 HydrophobicContact CD2-CG2 4.41Å; F105-V109 HydrophobicContact CE1-CG2 3.28Å; F105-V109 HydrophobicContact CE2-CG2 3.83Å; F105-V109 HydrophobicContact CG-CG2 4.45Å; F105-V109 HydrophobicContact CZ-CG2 3.21Å; F105-V109 PolarHBondContact O-N 3.28Å; Y107-V109 PolarHBondContact O-N 3.25Å; V109-K111 VanDerWaalsContact C-N 3.26Å; V109-K111 PolarHBondContact O-N 3.11Å; V109-G112 PolarHBondContact O-N 2.97Å; V109-W629 HydrophobicContact CG1-CE3 4.32Å
110K88.9Confident90.4Very high139 Ų13951.8 Ų51.860%0.60428%0.278SS*.Hα-helixtrans-69.9-22178.8-66.7166.3-164127.30113D106 Y107 L108D106-K110 WeakPolarHBondContact O-CD 3.46Å; D106-K110 WeakPolarHBondContact O-CE 3.45Å; D106-K110 WeakPolarHBondContact O-CG 3.49Å; D106-K110 PolarHBondContact O-NZ 3.38Å; D106-K110 WeakPolarHBondContact OD2-CE 3.33Å; D106-K110 IonicContact OD2-NZ 2.89Å; D106-K110 PolarHBondContact OD2-NZ 2.85Å; Y107-K110 PolarHBondContact O-N 2.98Å; L108-K110 VanDerWaalsContact C-N 3.28Å; L108-K110 PolarHBondContact O-N 2.84Å
111K90.6Very high90.5Very high95 Ų9552.5 Ų52.541%0.41327%0.274SS..Hα-helixtrans-98.8-18.8176.8-65.5-60-16779.10113.7Y107 L108 V109 R113 L114 E118Y107-K111 HydrophobicContact CD1-CG 4.17Å; Y107-K111 HydrophobicContact CE1-CG 3.86Å; Y107-K111 PolarHBondContact O-N 2.83Å; Y107-K111 WeakPolarHBondContact OH-CE 3.48Å; Y107-K111 PolarHBondContact OH-NZ 3.15Å; L108-K111 CarbonylContact O-C 3.54Å; L108-K111 PolarHBondContact O-N 2.92Å; V109-K111 VanDerWaalsContact C-N 3.26Å; V109-K111 PolarHBondContact O-N 3.11Å; K111-R113 PolarHBondContact O-N 3.08Å; K111-L114 HydrophobicContact CB-CD2 3.77Å; K111-L114 HydrophobicContact CG-CD2 3.73Å; K111-E118 IonicContact NZ-OE1 2.77Å; K111-E118 PolarHBondContact NZ-OE1 2.89Å; K111-E118 IonicContact NZ-OE2 2.72Å
112G88.6Confident91Very high45 Ų4550.9 Ų50.946%0.46426%0.257SS..SBendtrans72.4-62.2-163.800000111.8L108 V109 G213L108-G112 CarbonylContact O-C 3.44Å; L108-G112 WeakPolarHBondContact O-CA 3.44Å; L108-G112 PolarHBondContact O-N 3.48Å; V109-G112 PolarHBondContact O-N 2.97Å; G112-G213 WeakPolarHBondContact O-CA 3.41Å
113R92.7Very high91.4Very high124 Ų12449.5 Ų49.547%0.46824%0.242SC..SBendtrans-150156.3173.468.1-176.3-176.878.83.4111.1K111K111-R113 PolarHBondContact O-N 3.08Å
114L95.4Very high91.7Very high3 Ų347 Ų472%0.01623%0.23CC..  trans-93163-177.4-53.2-171.5000112.6Y107 L108 K111 E118 A119 F122 L210Y107-L114 HydrophobicContact CD1-CD2 4.04Å; Y107-L114 HydrophobicContact CE1-CD2 3.83Å; L108-L114 HydrophobicContact CD1-CG 4.23Å; K111-L114 HydrophobicContact CB-CD2 3.77Å; K111-L114 HydrophobicContact CG-CD2 3.73Å; L114-E118 HydrophobicContact CB-CB 4.4Å; L114-E118 HydrophobicContact CB-CG 4.39Å; L114-E118 HydrophobicContact CD1-CG 4.29Å; L114-E118 HydrophobicContact CD2-CG 4.5Å; L114-A119 HydrophobicContact CB-CB 4.31Å; L114-F122 HydrophobicContact CD1-CD2 3.64Å; L114-F122 HydrophobicContact CD1-CE2 3.63Å; L114-L210 VanDerWaalsContact CB-O 3.32Å; L114-L210 WeakPolarHBondContact CB-O 3.31Å; L114-L210 HydrophobicContact CD1-CB 4.21Å; L114-L210 HydrophobicContact CD1-CD2 3.76Å; L114-L210 HydrophobicContact CD1-CG 4.46Å; L114-L210 HydrophobicContact CG-CD2 4.49Å; L114-L210 PolarHBondContact N-O 3.34Å
115T95.6Very high91.9Very high76 Ų7647.7 Ų47.747%0.46623%0.234SC..  trans-75.6152.9166.467.30000110.5K117 E118 A119T115-K117 PolarHBondContact O-N 2.99Å; T115-K117 VanDerWaalsContact O-N 3.15Å; T115-E118 PolarHBondContact O-N 2.68Å; T115-E118 VanDerWaalsContact O-N 3.08Å; T115-E118 WeakPolarHBondContact OG1-CB 3.46Å; T115-E118 PolarHBondContact OG1-N 2.84Å; T115-A119 WeakPolarHBondContact O-CB 3.36Å; T115-A119 PolarHBondContact O-N 2.8Å
116P95.2Very high92.5Very high42 Ų4246.1 Ų46.127%0.27323%0.227SC..Hα-helixtrans-57.4-30.9177.3-27.435.5000114.2R120 L211 P241 W270P116-R120 VanDerWaalsContact O-CB 3.29Å; P116-R120 WeakPolarHBondContact O-CB 3.3Å; P116-R120 PolarHBondContact O-N 3.36Å; P116-L211 HydrophobicContact CB-CD2 4.17Å; P116-L211 HydrophobicContact CG-CD2 4.17Å; P116-P241 HydrophobicContact CB-CG 4.21Å; P116-P241 HydrophobicContact CG-CG 3.96Å; P116-W270 HydrophobicContact CB-CZ2 4.48Å; P116-W270 VanDerWaalsContact O-CZ2 3.3Å; P116-W270 WeakPolarHBondContact O-CZ2 3.48Å
117K92.9Very high93.2Very high133 Ų13344.5 Ų44.558%0.57822%0.218SC*.Hα-helixtrans-68.1-46.7174.6-174.8177.7179179.90111.7T115 R120 K121 E277T115-K117 PolarHBondContact O-N 2.99Å; T115-K117 VanDerWaalsContact O-N 3.15Å; K117-R120 WeakPolarHBondContact O-CB 3.49Å; K117-R120 PolarHBondContact O-N 3.31Å; K117-K121 PolarHBondContact O-N 2.95Å; K117-K121 VanDerWaalsContact O-N 3.12Å; K117-E277 WeakPolarHBondContact CE-OE1 3.46Å; K117-E277 WeakPolarHBondContact CG-OE1 3.49Å; K117-E277 IonicContact NZ-OE1 3.72Å
118E93.6Very high93.4Very high45 Ų4542.5 Ų42.521%0.2121%0.211CC..Hα-helixtrans-67.5-42.4179.5-173.5179.1-165.700112.2Y107 K111 L114 T115 R120 K121 F122Y107-E118 WeakPolarHBondContact CE1-OE1 3.5Å; Y107-E118 PolarHBondContact OH-OE1 3.39Å; K111-E118 IonicContact NZ-OE1 2.77Å; K111-E118 PolarHBondContact NZ-OE1 2.89Å; K111-E118 IonicContact NZ-OE2 2.72Å; L114-E118 HydrophobicContact CB-CB 4.4Å; L114-E118 HydrophobicContact CB-CG 4.39Å; L114-E118 HydrophobicContact CD1-CG 4.29Å; L114-E118 HydrophobicContact CD2-CG 4.5Å; T115-E118 PolarHBondContact O-N 2.68Å; T115-E118 VanDerWaalsContact O-N 3.08Å; T115-E118 WeakPolarHBondContact OG1-CB 3.46Å; T115-E118 PolarHBondContact OG1-N 2.84Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 2.66Å; E118-K121 WeakPolarHBondContact O-CB 3.48Å; E118-K121 PolarHBondContact O-N 3.2Å; E118-F122 HydrophobicContact CG-CE2 4.15Å; E118-F122 WeakPolarHBondContact O-CD2 3.33Å; E118-F122 PolarHBondContact O-N 3.22Å
119A96.2Very high93.6Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-60.1-41.8171.800000111.6L114 T115 K121 F122 F123 L207 L210 L211L114-A119 HydrophobicContact CB-CB 4.31Å; T115-A119 WeakPolarHBondContact O-CB 3.36Å; T115-A119 PolarHBondContact O-N 2.8Å; A119-K121 VanDerWaalsContact C-N 3.35Å; A119-K121 PolarHBondContact O-N 2.97Å; A119-F122 PolarHBondContact O-N 3.49Å; A119-F123 VanDerWaalsContact O-CB 3.25Å; A119-F123 WeakPolarHBondContact O-CB 3.32Å; A119-F123 PolarHBondContact O-N 3.08Å; A119-L207 HydrophobicContact CB-CD1 4.35Å; A119-L210 HydrophobicContact CB-CB 4.24Å; A119-L211 HydrophobicContact CB-CD2 3.73Å; A119-L211 HydrophobicContact CB-CG 4.18Å
120R95Very high94.1Very high28 Ų2839.2 Ų39.211%0.10619%0.191CC..Hα-helixtrans-59.3-41.2175-173.9-171.6-64.9128.4-1.4112.3P116 K117 E118 F122 F123 R124 W270P116-R120 VanDerWaalsContact O-CB 3.29Å; P116-R120 WeakPolarHBondContact O-CB 3.3Å; P116-R120 PolarHBondContact O-N 3.36Å; K117-R120 WeakPolarHBondContact O-CB 3.49Å; K117-R120 PolarHBondContact O-N 3.31Å; E118-R120 VanDerWaalsContact C-N 3.33Å; E118-R120 PolarHBondContact O-N 2.66Å; R120-F122 PolarHBondContact O-N 3.02Å; R120-F123 PolarHBondContact O-N 3.19Å; R120-R124 HydrophobicContact CG-CG 4.15Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.06Å; R120-W270 HydrophobicContact CB-CH2 3.61Å; R120-W270 HydrophobicContact CB-CZ2 3.85Å; R120-W270 HydrophobicContact CB-CZ3 4.13Å; R120-W270 HydrophobicContact CG-CH2 4.15Å; R120-W270 HydrophobicContact CG-CZ3 4.16Å; R120-W270 PolarHBondContact NE-O 3.02Å; R120-W270 PolarHBondContact NH2-O 3.38Å
121K93.3Very high94.2Very high65 Ų6534.2 Ų34.228%0.28317%0.171SC..Hα-helixtrans-56.1-52.8177.7-169.2-141.5171-169.20110.9K117 E118 A119 Q125 K153 N154 N155K117-K121 PolarHBondContact O-N 2.95Å; K117-K121 VanDerWaalsContact O-N 3.12Å; E118-K121 WeakPolarHBondContact O-CB 3.48Å; E118-K121 PolarHBondContact O-N 3.2Å; A119-K121 VanDerWaalsContact C-N 3.35Å; A119-K121 PolarHBondContact O-N 2.97Å; K121-Q125 WeakPolarHBondContact O-CG 3.32Å; K121-Q125 PolarHBondContact O-N 3.44Å; K121-K153 PolarHBondContact NZ-O 2.98Å; K121-N154 PolarHBondContact NZ-O 2.84Å; K121-N155 WeakPolarHBondContact CE-OD1 3.4Å; K121-N155 PolarHBondContact NZ-OD1 3.27Å
122F95.4Very high94.2Very high3 Ų330.5 Ų30.51%0.01316%0.155CC..Hα-helixtrans-63.3-43.4177.6-63.5-56.3000111.7L104 Y107 L114 E118 A119 R120 R124 Q125 I126 L150 N154 I156L104-F122 HydrophobicContact CD1-CD1 4.11Å; L104-F122 HydrophobicContact CD1-CD2 3.95Å; L104-F122 HydrophobicContact CD1-CE1 4.18Å; L104-F122 HydrophobicContact CD1-CE2 4.03Å; L104-F122 HydrophobicContact CD1-CG 3.98Å; L104-F122 HydrophobicContact CD1-CZ 4.13Å; Y107-F122 HydrophobicContact CD1-CE2 4.18Å; Y107-F122 HydrophobicContact CD1-CZ 4.19Å; Y107-F122 AromaticContact CE1-CE2 3.97Å; Y107-F122 HydrophobicContact CE1-CE2 3.97Å; Y107-F122 AromaticContact CE1-CZ 4Å; Y107-F122 HydrophobicContact CE1-CZ 4Å; L114-F122 HydrophobicContact CD1-CD2 3.64Å; L114-F122 HydrophobicContact CD1-CE2 3.63Å; E118-F122 HydrophobicContact CG-CE2 4.15Å; E118-F122 WeakPolarHBondContact O-CD2 3.33Å; E118-F122 PolarHBondContact O-N 3.22Å; A119-F122 PolarHBondContact O-N 3.49Å; R120-F122 PolarHBondContact O-N 3.02Å; F122-R124 PolarHBondContact O-N 2.8Å; F122-Q125 WeakPolarHBondContact O-CB 3.32Å; F122-Q125 PolarHBondContact O-N 2.87Å; F122-Q125 VanDerWaalsContact O-N 3.14Å; F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 2.92Å; F122-L150 HydrophobicContact CD1-CD2 4.1Å; F122-L150 HydrophobicContact CE1-CD2 3.55Å; F122-L150 HydrophobicContact CZ-CD2 4.36Å; F122-N154 HydrophobicContact CE1-CB 4.26Å; F122-N154 VanDerWaalsContact CE1-O 3.31Å; F122-N154 WeakPolarHBondContact CE1-O 3.48Å; F122-N154 HydrophobicContact CZ-CB 4.38Å; F122-I156 HydrophobicContact CB-CD1 4.16Å; F122-I156 HydrophobicContact CB-CG1 4.22Å; F122-I156 HydrophobicContact CD1-CD1 3.76Å; F122-I156 HydrophobicContact CD1-CG1 3.94Å; F122-I156 HydrophobicContact CG-CD1 4.29Å
123F96.8Very high94.3Very high1 Ų128.4 Ų28.40%0.00413%0.133CC..Hα-helixtrans-62.5-41.8-178.8-171.5-102.5000113.4A119 R120 Q125 I126 I127 C203 L207 L247 M251 I265 W270 Y271A119-F123 VanDerWaalsContact O-CB 3.25Å; A119-F123 WeakPolarHBondContact O-CB 3.32Å; A119-F123 PolarHBondContact O-N 3.08Å; R120-F123 PolarHBondContact O-N 3.19Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 2.92Å; F123-I126 PolarHBondContact O-N 2.78Å; F123-I127 HydrophobicContact CD1-CG1 3.98Å; F123-I127 HydrophobicContact CD2-CG1 4.37Å; F123-I127 HydrophobicContact CE1-CD1 4.16Å; F123-I127 HydrophobicContact CE1-CG1 3.63Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.05Å; F123-I127 HydrophobicContact CG-CG1 4.34Å; F123-I127 HydrophobicContact CZ-CD1 3.71Å; F123-I127 HydrophobicContact CZ-CG1 3.67Å; F123-I127 WeakPolarHBondContact O-CB 3.47Å; F123-I127 VanDerWaalsContact O-CG1 3.3Å; F123-I127 WeakPolarHBondContact O-CG1 3.31Å; F123-I127 PolarHBondContact O-N 3.39Å; F123-C203 HydrophobicContact CE2-CB 4.24Å; F123-L207 HydrophobicContact CB-CD1 4.31Å; F123-L207 HydrophobicContact CD1-CD2 4.5Å; F123-L207 HydrophobicContact CD2-CB 3.88Å; F123-L207 HydrophobicContact CD2-CD1 4.05Å; F123-L207 HydrophobicContact CD2-CD2 4.05Å; F123-L207 HydrophobicContact CD2-CG 4.2Å; F123-L207 HydrophobicContact CE1-CD2 4.3Å; F123-L207 HydrophobicContact CE2-CB 3.87Å; F123-L207 HydrophobicContact CE2-CD2 3.85Å; F123-L207 HydrophobicContact CE2-CG 4.32Å; F123-L207 HydrophobicContact CG-CD1 4.18Å; F123-L207 HydrophobicContact CG-CD2 4.37Å; F123-L207 HydrophobicContact CZ-CD2 3.98Å; F123-L247 HydrophobicContact CE1-CD2 4.11Å; F123-L247 HydrophobicContact CZ-CD2 4.48Å; F123-M251 HydrophobicContact CE2-CE 3.76Å; F123-M251 HydrophobicContact CE2-SD 4.26Å; F123-M251 HydrophobicContact CZ-CE 3.51Å; F123-M251 HydrophobicContact CZ-SD 3.67Å; F123-I265 HydrophobicContact CE1-CG2 3.73Å; F123-I265 HydrophobicContact CZ-CG2 3.88Å; F123-W270 HydrophobicContact CB-CZ3 4.5Å; F123-W270 AromaticContact CD1-CZ3 3.83Å; F123-W270 HydrophobicContact CD1-CZ3 3.83Å; F123-W270 HydrophobicContact CE1-CZ3 4.37Å; F123-W270 HydrophobicContact CG-CZ3 4.31Å; F123-Y271 AromaticContact CD1-CD2 3.91Å; F123-Y271 HydrophobicContact CD1-CD2 3.91Å; F123-Y271 HydrophobicContact CD1-CE2 4.18Å; F123-Y271 AromaticContact CE1-CD2 3.91Å; F123-Y271 HydrophobicContact CE1-CD2 3.91Å; F123-Y271 HydrophobicContact CE1-CE2 4.31Å
124R94.6Very high94.2Very high6 Ų623.6 Ų23.62%0.02312%0.116CC..Hα-helixtrans-59.5-38.1173.4-70.4174.589.1-166.212.2111.9R120 F122 S128 Y271 G274 E277 E279 P280R120-R124 HydrophobicContact CG-CG 4.15Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.06Å; F122-R124 PolarHBondContact O-N 2.8Å; R124-S128 VanDerWaalsContact O-CB 3.24Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 2.77Å; R124-Y271 HydrophobicContact CB-CE2 4.25Å; R124-Y271 HydrophobicContact CG-CD2 4.17Å; R124-Y271 HydrophobicContact CG-CE1 4.28Å; R124-Y271 HydrophobicContact CG-CE2 3.77Å; R124-G274 PolarHBondContact NH1-O 3.16Å; R124-E277 PolarHBondContact NH1-O 3.29Å; R124-E277 VanDerWaalsContact NH1-O 3.08Å; R124-E279 IonicContact NH2-OE1 3.74Å; R124-E279 PolarHBondContact NH2-OE1 3.33Å; R124-P280 HydrophobicContact CB-CG 4.13Å
125Q95.1Very high93.8Very high14 Ų1427.2 Ų27.27%0.06514%0.141CC..Hα-helixtrans-70.5-40.5178.1-64.6-177.7-2500112.3H78 K121 F122 F123 A129 N155 I156 P280H78-Q125 HydrophobicContact CB-CB 4.42Å; H78-Q125 VanDerWaalsContact CE1-CD 3.4Å; H78-Q125 PolarHBondContact CE1-NE2 3.18Å; H78-Q125 VanDerWaalsContact CE1-NE2 3.31Å; H78-Q125 WeakPolarHBondContact NE2-CG 3.49Å; K121-Q125 WeakPolarHBondContact O-CG 3.32Å; K121-Q125 PolarHBondContact O-N 3.44Å; F122-Q125 WeakPolarHBondContact O-CB 3.32Å; F122-Q125 PolarHBondContact O-N 2.87Å; F122-Q125 VanDerWaalsContact O-N 3.14Å; F123-Q125 VanDerWaalsContact C-N 3.28Å; F123-Q125 PolarHBondContact O-N 2.92Å; Q125-A129 PolarHBondContact O-N 2.82Å; Q125-A129 VanDerWaalsContact O-N 3.16Å; Q125-N155 PolarHBondContact NE2-OD1 2.81Å; Q125-N155 VanDerWaalsContact OE1-CA 3.27Å; Q125-I156 HydrophobicContact CB-CB 3.97Å; Q125-I156 HydrophobicContact CB-CG1 4.01Å; Q125-P280 HydrophobicContact CG-CG 4.38Å
126I96.9Very high93.2Very high1 Ų125.4 Ų25.41%0.00513%0.128CC..Hα-helixtrans-62.7-52.3174.9-65.2160000110.6L104 F122 F123 S128 A129 L130 L148 I156 I158 I206L104-I126 HydrophobicContact CD2-CD1 4.46Å; F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 2.92Å; F123-I126 PolarHBondContact O-N 2.78Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.27Å; I126-A129 PolarHBondContact O-N 3.27Å; I126-L130 HydrophobicContact CG2-CD1 3.74Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.81Å; I126-L148 HydrophobicContact CD1-CD1 3.66Å; I126-L148 HydrophobicContact CG1-CD1 4.13Å; I126-L148 HydrophobicContact CG1-CD2 4.2Å; I126-I156 HydrophobicContact CD1-CD1 4.45Å; I126-I156 HydrophobicContact CG1-CD1 4.38Å; I126-I156 HydrophobicContact CG1-CG1 4.09Å; I126-I156 HydrophobicContact CG1-CG2 4.02Å; I126-I158 HydrophobicContact CG2-CD1 4.46Å; I126-I206 HydrophobicContact CD1-CG2 4.36Å
127I96.2Very high92.7Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-63.4-39.5-179.2-63.9-67.4000111.2F123 A129 L130 D131 C203 L262 I265 Q266 Y271F123-I127 HydrophobicContact CD1-CG1 3.98Å; F123-I127 HydrophobicContact CD2-CG1 4.37Å; F123-I127 HydrophobicContact CE1-CD1 4.16Å; F123-I127 HydrophobicContact CE1-CG1 3.63Å; F123-I127 HydrophobicContact CE2-CD1 4.06Å; F123-I127 HydrophobicContact CE2-CG1 4.05Å; F123-I127 HydrophobicContact CG-CG1 4.34Å; F123-I127 HydrophobicContact CZ-CD1 3.71Å; F123-I127 HydrophobicContact CZ-CG1 3.67Å; F123-I127 WeakPolarHBondContact O-CB 3.47Å; F123-I127 VanDerWaalsContact O-CG1 3.3Å; F123-I127 WeakPolarHBondContact O-CG1 3.31Å; F123-I127 PolarHBondContact O-N 3.39Å; I127-A129 PolarHBondContact O-N 3.32Å; I127-L130 PolarHBondContact O-N 3.41Å; I127-D131 VanDerWaalsContact O-CB 3.24Å; I127-D131 WeakPolarHBondContact O-CB 3.37Å; I127-D131 PolarHBondContact O-N 3.17Å; I127-C203 HydrophobicContact CD1-CB 4.26Å; I127-L262 HydrophobicContact CD1-CD2 3.94Å; I127-I265 HydrophobicContact CD1-CG2 3.97Å; I127-I265 HydrophobicContact CG1-CG2 4.18Å; I127-I265 HydrophobicContact CG2-CG2 4.43Å; I127-Q266 HydrophobicContact CG2-CG 3.82Å; I127-Y271 HydrophobicContact CB-CE2 3.91Å; I127-Y271 HydrophobicContact CG1-CE2 4.15Å; I127-Y271 HydrophobicContact CG2-CE2 3.94Å
128S93.4Very high92.5Very high3 Ų318.9 Ų18.92%0.02110%0.099CC..Hα-helixtrans-59.9-42.9174.8-1750000112.6H76 R124 I126 F132H76-S128 PolarHBondContact NE2-O 2.82Å; H76-S128 PolarHBondContact NE2-OG 2.76Å; R124-S128 VanDerWaalsContact O-CB 3.24Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 2.77Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.27Å; S128-F132 WeakPolarHBondContact O-CB 3.41Å; S128-F132 PolarHBondContact O-N 2.72Å
129A94.1Very high92.4Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-67.2-39.8177.600000112.4H76 H78 V79 Q125 I126 I127 F132 C133 I158H76-A129 WeakPolarHBondContact CE1-CA 3.46Å; H76-A129 PolarHBondContact CE1-N 2.87Å; H78-A129 HydrophobicContact CB-CB 4.02Å; V79-A129 HydrophobicContact CG2-CB 4.02Å; Q125-A129 PolarHBondContact O-N 2.82Å; Q125-A129 VanDerWaalsContact O-N 3.16Å; I126-A129 PolarHBondContact O-N 3.27Å; I127-A129 PolarHBondContact O-N 3.32Å; A129-F132 PolarHBondContact O-N 2.71Å; A129-C133 PolarHBondContact O-N 2.79Å; A129-C133 PolarHBondContact O-SG 3.33Å; A129-I158 HydrophobicContact CB-CD1 3.6Å; A129-I158 HydrophobicContact CB-CG1 4.12Å
130L95.1Very high92.3Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-76.2-35.7-177.8-68.3169000112.9I126 I127 F132 C133 H134 H140 L143 I158 C203 L262I126-L130 HydrophobicContact CG2-CD1 3.74Å; I126-L130 WeakPolarHBondContact O-CG 3.47Å; I126-L130 PolarHBondContact O-N 2.81Å; I127-L130 PolarHBondContact O-N 3.41Å; L130-F132 VanDerWaalsContact C-N 3.32Å; L130-C133 PolarHBondContact O-N 2.66Å; L130-H134 WeakPolarHBondContact O-CB 3.35Å; L130-H134 PolarHBondContact O-CD2 2.82Å; L130-H134 PolarHBondContact O-N 3.46Å; L130-H140 HydrophobicContact CD2-CB 4.03Å; L130-L143 HydrophobicContact CD1-CD1 3.43Å; L130-L143 VanDerWaalsContact CD1-CD1 3.43Å; L130-L143 HydrophobicContact CD1-CD2 4.21Å; L130-L143 HydrophobicContact CD1-CG 4.47Å; L130-L143 HydrophobicContact CD2-CD1 3.83Å; L130-L143 HydrophobicContact CD2-CD2 4.15Å; L130-L143 HydrophobicContact CD2-CG 4.48Å; L130-L143 HydrophobicContact CG-CD1 4.28Å; L130-I158 HydrophobicContact CD1-CD1 4.48Å; L130-I158 HydrophobicContact CD2-CD1 4.12Å; L130-I158 HydrophobicContact CG-CD1 3.93Å; L130-C203 WeakPolarHBondContact CD1-SG 3.45Å; L130-L262 HydrophobicContact CB-CD1 3.74Å
131D92.1Very high92.1Very high35 Ų3516.4 Ų16.419%0.1879%0.088CC..Hα-helixtrans-61.2-42.4170.8-174.552.1000111.1I127 C133 H134 S135 L262 Q266 Q282I127-D131 VanDerWaalsContact O-CB 3.24Å; I127-D131 WeakPolarHBondContact O-CB 3.37Å; I127-D131 PolarHBondContact O-N 3.17Å; D131-C133 PolarHBondContact O-N 3.41Å; D131-H134 PolarHBondContact O-N 3.09Å; D131-S135 WeakPolarHBondContact O-CB 3.49Å; D131-S135 PolarHBondContact O-N 2.94Å; D131-S135 PolarHBondContact O-OG 3.43Å; D131-L262 HydrophobicContact CB-CD1 4.23Å; D131-Q266 PolarHBondContact OD2-NE2 2.95Å; D131-Q282 PolarHBondContact OD2-NE2 3.18Å
132F90.1Very high92Very high17 Ų1714 Ų148%0.0758%0.078CC..Hα-helixtrans-61-43.3170.5-174.5-90.2000112.6I74 E75 H76 S128 A129 L130 S135 H136 P283I74-F132 HydrophobicContact CB-CE1 4.04Å; I74-F132 HydrophobicContact CG2-CE1 4.3Å; E75-F132 WeakPolarHBondContact O-CZ 3.43Å; H76-F132 HydrophobicContact CB-CD1 3.8Å; H76-F132 HydrophobicContact CB-CE1 4.09Å; H76-F132 HydrophobicContact CB-CG 4.17Å; H76-F132 VanDerWaalsContact CD2-CB 3.48Å; H76-F132 WeakPolarHBondContact CD2-CB 3.26Å; H76-F132 AromaticContact CD2-CD2 3.9Å; H76-F132 AromaticContact CD2-CG 3.54Å; S128-F132 WeakPolarHBondContact O-CB 3.41Å; S128-F132 PolarHBondContact O-N 2.72Å; A129-F132 PolarHBondContact O-N 2.71Å; L130-F132 VanDerWaalsContact C-N 3.32Å; F132-S135 PolarHBondContact O-OG 3.01Å; F132-H136 AromaticContact CE1-CE1 3.72Å; F132-H136 AromaticContact CE1-ND1 3.89Å; F132-H136 AromaticContact CE2-CE1 3.55Å; F132-H136 AromaticContact CZ-CE1 3.36Å; F132-H136 WeakPolarHBondContact CZ-CE1 3.38Å; F132-H136 AromaticContact CZ-ND1 4Å; F132-H136 PolarHBondContact O-N 3.22Å; F132-H136 PolarHBondContact O-ND1 2.99Å; F132-P283 HydrophobicContact CD2-CB 4.41Å; F132-P283 HydrophobicContact CD2-CG 4.17Å; F132-P283 HydrophobicContact CE2-CB 3.85Å; F132-P283 HydrophobicContact CE2-CG 3.97Å
133C91.1Very high91.8Very high1 Ų113.9 Ų13.91%0.0078%0.078CC..Hα-helixtrans-64.3-44.5174.7-670000112.4A129 L130 D131 S135 H136 S137 I138A129-C133 PolarHBondContact O-N 2.79Å; A129-C133 PolarHBondContact O-SG 3.33Å; L130-C133 PolarHBondContact O-N 2.66Å; D131-C133 PolarHBondContact O-N 3.41Å; C133-S135 PolarHBondContact O-N 3.14Å; C133-H136 CarbonylContact O-C 3.53Å; C133-H136 WeakPolarHBondContact O-CA 3.35Å; C133-H136 PolarHBondContact O-N 2.89Å; C133-S137 PolarHBondContact O-N 3.07Å; C133-I138 CarbonylContact C-O 3.6Å; C133-I138 VanDerWaalsContact C-O 3.28Å; C133-I138 HydrophobicContact CB-CB 4.31Å; C133-I138 HydrophobicContact CB-CG2 4.45Å; C133-I138 WeakPolarHBondContact CB-O 3.49Å; C133-I138 PolarHBondContact O-N 2.84Å
134H90.1Very high91.4Very high23 Ų2315.2 Ų15.211%0.1068%0.084CC..Hα-helixtrans-66-36.6-178.5-71.2-169.2000111.9L130 D131 H136 S137 I138 R196 D199 L262L130-H134 WeakPolarHBondContact O-CB 3.35Å; L130-H134 PolarHBondContact O-CD2 2.82Å; L130-H134 PolarHBondContact O-N 3.46Å; D131-H134 PolarHBondContact O-N 3.09Å; H134-H136 PolarHBondContact O-N 2.75Å; H134-S137 WeakPolarHBondContact O-CA 3.31Å; H134-S137 PolarHBondContact O-N 3.44Å; H134-I138 PolarHBondContact CD2-O 2.85Å; H134-R196 VanDerWaalsContact CE1-CA 3.44Å; H134-R196 WeakPolarHBondContact CE1-CA 3.19Å; H134-D199 IonicContact CD2-OD2 2.69Å; H134-D199 IonicContact CE1-OD2 2.99Å; H134-D199 IonicContact NE2-OD2 2.66Å; H134-D199 PolarHBondContact NE2-OD2 2.93Å; H134-L262 VanDerWaalsContact ND1-CD1 3.31Å; H134-L262 WeakPolarHBondContact ND1-CD1 3.35Å
135S86.3Confident90.9Very high78 Ų7815.1 Ų15.155%0.5458%0.084SC..Hα-helixtrans-64.7-23.3171.362.20000113.8D131 F132 C133 S137D131-S135 WeakPolarHBondContact O-CB 3.49Å; D131-S135 PolarHBondContact O-N 2.94Å; D131-S135 PolarHBondContact O-OG 3.43Å; F132-S135 PolarHBondContact O-OG 3.01Å; C133-S135 PolarHBondContact O-N 3.14Å; S135-S137 VanDerWaalsContact C-N 3.31Å
136H83.4Confident90.3Very high39 Ų3915.9 Ų15.918%0.1819%0.087CC..THydrogen-bonded Turntrans-93.515.9169.2-64.278.5000112.4F132 C133 H134 I138F132-H136 AromaticContact CE1-CE1 3.72Å; F132-H136 AromaticContact CE1-ND1 3.89Å; F132-H136 AromaticContact CE2-CE1 3.55Å; F132-H136 AromaticContact CZ-CE1 3.36Å; F132-H136 WeakPolarHBondContact CZ-CE1 3.38Å; F132-H136 AromaticContact CZ-ND1 4Å; F132-H136 PolarHBondContact O-N 3.22Å; F132-H136 PolarHBondContact O-ND1 2.99Å; C133-H136 CarbonylContact O-C 3.53Å; C133-H136 WeakPolarHBondContact O-CA 3.35Å; C133-H136 PolarHBondContact O-N 2.89Å; H134-H136 PolarHBondContact O-N 2.75Å; H136-I138 HydrophobicContact CB-CD1 4.06Å; H136-I138 PolarHBondContact O-N 2.94Å
137S85.1Confident90Very high35 Ų3516.5 Ų16.525%0.2459%0.091CC..THydrogen-bonded Turntrans61.119.5-177.7-56.30000115.3C133 H134 S135 L166 Q167C133-S137 PolarHBondContact O-N 3.07Å; H134-S137 WeakPolarHBondContact O-CA 3.31Å; H134-S137 PolarHBondContact O-N 3.44Å; S135-S137 VanDerWaalsContact C-N 3.31Å; S137-L166 CarbonylContact O-C 3.58Å; S137-L166 VanDerWaalsContact O-CA 3.28Å; S137-L166 WeakPolarHBondContact O-CA 3.42Å; S137-Q167 WeakPolarHBondContact CB-O 3.26Å; S137-Q167 PolarHBondContact O-N 2.62Å
138I88.8Confident90Very high2 Ų216.5 Ų16.51%0.019%0.091CC..EExtended strand (participates in β ladder)trans-101.8116-177.7-65157.2000110.2I70 I74 C133 H134 H136 F161 A164 L166I70-I138 HydrophobicContact CD1-CG2 4.27Å; I70-I138 HydrophobicContact CG2-CD1 4.27Å; I70-I138 HydrophobicContact CG2-CG2 4Å; I74-I138 HydrophobicContact CG2-CD1 3.5Å; C133-I138 CarbonylContact C-O 3.6Å; C133-I138 VanDerWaalsContact C-O 3.28Å; C133-I138 HydrophobicContact CB-CB 4.31Å; C133-I138 HydrophobicContact CB-CG2 4.45Å; C133-I138 WeakPolarHBondContact CB-O 3.49Å; C133-I138 PolarHBondContact O-N 2.84Å; H134-I138 PolarHBondContact CD2-O 2.85Å; H136-I138 HydrophobicContact CB-CD1 4.06Å; H136-I138 PolarHBondContact O-N 2.94Å; I138-F161 HydrophobicContact CG2-CD1 4.35Å; I138-F161 HydrophobicContact CG2-CE1 4.42Å; I138-A164 HydrophobicContact CG2-CB 4.45Å; I138-L166 HydrophobicContact CG1-CD2 3.74Å
139C91.8Very high90Very high1 Ų118.3 Ų18.31%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-101.7137.5173-58.40000110.5R141 A164 S165 Q167 R196 D199C139-R141 HydrophobicContact CB-CG 4.01Å; C139-A164 CarbonylContact O-C 3.56Å; C139-A164 WeakPolarHBondContact O-CA 3.4Å; C139-A164 VanDerWaalsContact O-CB 3.25Å; C139-A164 WeakPolarHBondContact O-CB 3.47Å; C139-S165 PolarHBondContact N-O 3.31Å; C139-S165 PolarHBondContact O-N 2.97Å; C139-Q167 PolarHBondContact SG-OE1 3.37Å; C139-R196 VanDerWaalsContact SG-CG 3.59Å; C139-D199 WeakPolarHBondContact CA-OD2 3.41Å
140H93.8Very high90Very high0 Ų018.3 Ų18.30%010%0.1CC..  trans-81.3-42.8-170.1-168.8-79000113.5L130 D142 L143 A159 F161 A164 D199L130-H140 HydrophobicContact CD2-CB 4.03Å; H140-D142 PolarHBondContact CE1-O 3.45Å; H140-D142 PolarHBondContact ND1-O 3.25Å; H140-D142 PolarHBondContact O-N 2.91Å; H140-L143 HydrophobicContact CB-CD1 4.18Å; H140-L143 HydrophobicContact CB-CD2 4.23Å; H140-L143 HydrophobicContact CB-CG 3.89Å; H140-A159 PolarHBondContact NE2-O 2.97Å; H140-F161 AromaticContact CD2-CD1 3.77Å; H140-F161 AromaticContact CD2-CE1 3.63Å; H140-F161 AromaticContact CD2-CZ 3.79Å; H140-A164 WeakPolarHBondContact O-CA 3.27Å; H140-A164 PolarHBondContact O-N 3.16Å; H140-D199 PolarHBondContact N-OD1 2.83Å; H140-D199 PolarHBondContact N-OD2 2.98Å
141R91.8Very high89.8Confident20 Ų2019.7 Ų19.78%0.07511%0.108CC..  trans64.7-5.5167.1-53.6164.254.1172.4-14.1118.2C139 S165 L173 T175 C177 G178 Y193 D199C139-R141 HydrophobicContact CB-CG 4.01Å; R141-S165 PolarHBondContact NH1-OG 2.98Å; R141-L173 HydrophobicContact CG-CD1 4.48Å; R141-T175 PolarHBondContact NH2-O 3.32Å; R141-C177 PolarHBondContact NE-SG 2.94Å; R141-C177 PolarHBondContact NH2-SG 2.85Å; R141-G178 WeakPolarHBondContact O-CA 3.24Å; R141-Y193 PolarHBondContact NE-OH 3.41Å; R141-Y193 VanDerWaalsContact NE-OH 3.08Å; R141-Y193 PolarHBondContact NH2-OH 3.48Å; R141-D199 PolarHBondContact N-OD1 3.49Å
142D89.5Confident89.7Confident14 Ų1424.9 Ų24.98%0.07513%0.131CC..  trans-136.561.5163-172.538.3000110.5H140 K144 N147 M163 G178 S179H140-D142 PolarHBondContact CE1-O 3.45Å; H140-D142 PolarHBondContact ND1-O 3.25Å; H140-D142 PolarHBondContact O-N 2.91Å; D142-K144 IonicContact OD1-NZ 2.62Å; D142-K144 IonicContact OD2-NZ 3.07Å; D142-K144 PolarHBondContact OD2-NZ 3.46Å; D142-N147 PolarHBondContact O-ND2 2.76Å; D142-M163 HydrophobicContact CB-CB 3.91Å; D142-M163 HydrophobicContact CB-CG 4.08Å; D142-G178 WeakPolarHBondContact OD1-CA 3.22Å; D142-S179 WeakPolarHBondContact OD1-CB 3.26Å; D142-S179 PolarHBondContact OD1-N 2.78Å; D142-S179 PolarHBondContact OD1-OG 2.89Å
143L93.2Very high89.7Confident1 Ų132 Ų321%0.00516%0.161CC..  trans-81.2124.1175.3-79.2164.9000110.9L130 H140 I158 Y182 D199 I206L130-L143 HydrophobicContact CD1-CD1 3.43Å; L130-L143 VanDerWaalsContact CD1-CD1 3.43Å; L130-L143 HydrophobicContact CD1-CD2 4.21Å; L130-L143 HydrophobicContact CD1-CG 4.47Å; L130-L143 HydrophobicContact CD2-CD1 3.83Å; L130-L143 HydrophobicContact CD2-CD2 4.15Å; L130-L143 HydrophobicContact CD2-CG 4.48Å; L130-L143 HydrophobicContact CG-CD1 4.28Å; H140-L143 HydrophobicContact CB-CD1 4.18Å; H140-L143 HydrophobicContact CB-CD2 4.23Å; H140-L143 HydrophobicContact CB-CG 3.89Å; L143-I158 HydrophobicContact CD2-CD1 4.42Å; L143-I158 HydrophobicContact CD2-CG2 4.26Å; L143-Y182 WeakPolarHBondContact O-CB 3.26Å; L143-D199 HydrophobicContact CD1-CB 3.77Å; L143-I206 HydrophobicContact CB-CD1 4.17Å
144K87.3Confident89.6Confident30 Ų3034.8 Ų34.813%0.1318%0.176CC..  trans-158.4157.5179.563.5-170.1-179.2-140.50111.4D142 E146 N147 S179 Y182D142-K144 IonicContact OD1-NZ 2.62Å; D142-K144 IonicContact OD2-NZ 3.07Å; D142-K144 PolarHBondContact OD2-NZ 3.46Å; K144-E146 VanDerWaalsContact CB-OE2 3.3Å; K144-E146 WeakPolarHBondContact CB-OE2 2.76Å; K144-E146 HydrophobicContact CG-CB 4.32Å; K144-E146 VanDerWaalsContact CG-OE2 3.26Å; K144-E146 WeakPolarHBondContact CG-OE2 3.33Å; K144-E146 PolarHBondContact O-N 2.69Å; K144-E146 VanDerWaalsContact O-N 3.11Å; K144-N147 WeakPolarHBondContact CE-OD1 3.47Å; K144-N147 HydrophobicContact CG-CB 4.08Å; K144-N147 PolarHBondContact O-N 2.93Å; K144-S179 WeakPolarHBondContact CD-OG 3.47Å; K144-S179 PolarHBondContact NZ-OG 3.45Å; K144-Y182 HydrophobicContact CB-CD1 4.47Å; K144-Y182 HydrophobicContact CB-CD2 3.67Å; K144-Y182 HydrophobicContact CB-CE2 3.68Å; K144-Y182 HydrophobicContact CB-CG 4.08Å
145P83.4Confident89.8Confident3 Ų335.2 Ų35.22%0.01918%0.179CC..G310 helixtrans-56.8-22.1-176.9-2939.3000116.7F105 Y182 I206F105-P145 HydrophobicContact CB-CB 3.84Å; F105-P145 HydrophobicContact CD2-CB 4.47Å; F105-P145 PolarHBondContact N-O 3.27Å; P145-Y182 VanDerWaalsContact CD-CE1 3.46Å; P145-Y182 VanDerWaalsContact CD-OH 3.23Å; P145-Y182 WeakPolarHBondContact CD-OH 3.45Å; P145-Y182 HydrophobicContact CG-CE1 4.12Å; P145-I206 HydrophobicContact CG-CG1 4.34Å
146E83.4Confident90.3Very high30 Ų3031.5 Ų31.514%0.1415%0.153CC..G310 helixtrans-74.1-33.7174.2-52.694.7125.400111.8K144 L148 F630K144-E146 VanDerWaalsContact CB-OE2 3.3Å; K144-E146 WeakPolarHBondContact CB-OE2 2.76Å; K144-E146 HydrophobicContact CG-CB 4.32Å; K144-E146 VanDerWaalsContact CG-OE2 3.26Å; K144-E146 WeakPolarHBondContact CG-OE2 3.33Å; K144-E146 PolarHBondContact O-N 2.69Å; K144-E146 VanDerWaalsContact O-N 3.11Å; E146-L148 PolarHBondContact O-N 3.1Å; E146-F630 VanDerWaalsContact CD-CE2 3.49Å; E146-F630 HydrophobicContact CG-CD2 3.61Å; E146-F630 HydrophobicContact CG-CE2 3.67Å; E146-F630 WeakPolarHBondContact OE1-CE2 3.36Å
147N91Very high90.8Very high15 Ų1531.4 Ų31.48%0.0815%0.151CC..G310 helixtrans-83.36.6177.6-70.10.1000112.2D142 K144 A159D142-N147 PolarHBondContact O-ND2 2.76Å; K144-N147 WeakPolarHBondContact CE-OD1 3.47Å; K144-N147 HydrophobicContact CG-CB 4.08Å; K144-N147 PolarHBondContact O-N 2.93Å; N147-A159 WeakPolarHBondContact CB-O 3.19Å; N147-A159 PolarHBondContact O-N 3.22Å
148L94.8Very high91.3Very high0 Ų029.7 Ų29.70%014%0.14CC..EExtended strand (participates in β ladder)trans-115.692.2-180-63.2179.5000109.6L104 I126 E146 I156 I158 I206L104-L148 HydrophobicContact CB-CB 3.9Å; L104-L148 VanDerWaalsContact CB-O 3.28Å; L104-L148 WeakPolarHBondContact CB-O 3.31Å; L104-L148 HydrophobicContact CD2-CB 4.06Å; L104-L148 HydrophobicContact CD2-CD1 3.68Å; L104-L148 PolarHBondContact N-O 3.36Å; I126-L148 HydrophobicContact CD1-CD1 3.66Å; I126-L148 HydrophobicContact CG1-CD1 4.13Å; I126-L148 HydrophobicContact CG1-CD2 4.2Å; E146-L148 PolarHBondContact O-N 3.1Å; L148-I156 HydrophobicContact CB-CD1 4.41Å; L148-I156 HydrophobicContact CD2-CG2 4.04Å; L148-I158 HydrophobicContact CD2-CB 4.37Å; L148-I158 HydrophobicContact CD2-CD1 4.23Å; L148-I158 HydrophobicContact CD2-CG1 3.7Å; L148-I158 HydrophobicContact CD2-CG2 4.44Å; L148-I206 HydrophobicContact CD1-CD1 4.13Å; L148-I206 HydrophobicContact CD1-CG2 4.09Å
149L94.8Very high91.5Very high40 Ų4030.2 Ų30.221%0.20914%0.144CC..EExtended strand (participates in β ladder)trans-81.6156.4-178.6-52.3-179.3000111.5L80 V99 G102 E103 I156 R157 A159L80-L149 HydrophobicContact CD1-CD1 4.38Å; L80-L149 HydrophobicContact CD2-CD1 4.27Å; V99-L149 HydrophobicContact CB-CB 4.34Å; V99-L149 HydrophobicContact CB-CD1 4.43Å; V99-L149 HydrophobicContact CG1-CB 3.68Å; G102-L149 CarbonylContact O-C 3.57Å; G102-L149 WeakPolarHBondContact O-CA 3.44Å; E103-L149 HydrophobicContact CG-CD2 3.94Å; L149-I156 CarbonylContact O-C 3.59Å; L149-I156 WeakPolarHBondContact O-CA 3.34Å; L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 PolarHBondContact N-O 2.99Å; L149-R157 PolarHBondContact O-N 2.73Å; L149-A159 HydrophobicContact CD1-CB 4.02Å; L149-A159 HydrophobicContact CG-CB 4.24Å
150L93.8Very high91.2Very high1 Ų132.5 Ų32.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-117.5128.7-180-70177.8000112.4V99 G101 G102 L104 Y107 F122 N155 I156V99-L150 WeakPolarHBondContact CG1-O 3.39Å; G101-L150 WeakPolarHBondContact CA-O 3.03Å; G101-L150 PolarHBondContact N-O 3.11Å; G102-L150 PolarHBondContact O-N 2.82Å; L104-L150 HydrophobicContact CD1-CD1 4.3Å; L104-L150 HydrophobicContact CD1-CD2 4.32Å; Y107-L150 HydrophobicContact CD2-CD1 3.99Å; Y107-L150 HydrophobicContact CG-CD1 3.92Å; F122-L150 HydrophobicContact CD1-CD2 4.1Å; F122-L150 HydrophobicContact CE1-CD2 3.55Å; F122-L150 HydrophobicContact CZ-CD2 4.36Å; L150-N155 WeakPolarHBondContact CA-O 3.36Å; L150-I156 HydrophobicContact CD2-CD1 3.91Å
151D91.1Very high90.9Very high29 Ų2932.5 Ų32.516%0.15516%0.156CC..  trans-73.8175.8169.980.30.5000112.7K153 N154 N155D151-K153 PolarHBondContact O-N 2.98Å; D151-K153 VanDerWaalsContact OD1-CA 3.26Å; D151-K153 WeakPolarHBondContact OD1-CA 3.48Å; D151-K153 WeakPolarHBondContact OD1-CB 3.43Å; D151-K153 PolarHBondContact OD1-N 3.47Å; D151-N154 PolarHBondContact O-N 3.02Å; D151-N154 PolarHBondContact OD1-N 3.03Å; D151-N155 PolarHBondContact N-O 3.46Å; D151-N155 WeakPolarHBondContact OD1-CB 3.35Å; D151-N155 PolarHBondContact OD1-N 2.81Å; D151-N155 PolarHBondContact OD1-ND2 3.17Å; D151-N155 PolarHBondContact OD2-ND2 2.88Å
152E89.1Confident90.3Very high144 Ų14431.8 Ų31.867%0.67316%0.155SC*.THydrogen-bonded Turntrans-64.7-7.7179.4-63.1-179.9-179.800114S100S100-E152 VanDerWaalsContact CB-OE1 3.22Å; S100-E152 WeakPolarHBondContact CB-OE1 3.06Å; S100-E152 WeakPolarHBondContact OG-CG 3.49Å; S100-E152 PolarHBondContact OG-OE1 3.05Å
153K89.8Confident89.8Confident165 Ų16532.9 Ų32.972%0.71716%0.16SC*.THydrogen-bonded Turntrans-10910.2176.5-60.3171.1-177.9174.50111.8K121 D151 N155K121-K153 PolarHBondContact NZ-O 2.98Å; D151-K153 PolarHBondContact O-N 2.98Å; D151-K153 VanDerWaalsContact OD1-CA 3.26Å; D151-K153 WeakPolarHBondContact OD1-CA 3.48Å; D151-K153 WeakPolarHBondContact OD1-CB 3.43Å; D151-K153 PolarHBondContact OD1-N 3.47Å; K153-N155 WeakPolarHBondContact CB-ND2 3.43Å
154N90.6Very high89.5Confident61 Ų6132.8 Ų32.833%0.32616%0.16SC..  trans53.451.9-172-55.6-70.3000112.7K121 F122 D151K121-N154 PolarHBondContact NZ-O 2.84Å; F122-N154 HydrophobicContact CE1-CB 4.26Å; F122-N154 VanDerWaalsContact CE1-O 3.31Å; F122-N154 WeakPolarHBondContact CE1-O 3.48Å; F122-N154 HydrophobicContact CZ-CB 4.38Å; D151-N154 PolarHBondContact O-N 3.02Å; D151-N154 PolarHBondContact OD1-N 3.03Å
155N93.8Very high89.2Confident31 Ų3132 Ų3217%0.16616%0.158CC..  trans-106.3144.2166.8-53.3-55000111.1K121 Q125 L150 D151 K153K121-N155 WeakPolarHBondContact CE-OD1 3.4Å; K121-N155 PolarHBondContact NZ-OD1 3.27Å; Q125-N155 PolarHBondContact NE2-OD1 2.81Å; Q125-N155 VanDerWaalsContact OE1-CA 3.27Å; L150-N155 WeakPolarHBondContact CA-O 3.36Å; D151-N155 PolarHBondContact N-O 3.46Å; D151-N155 WeakPolarHBondContact OD1-CB 3.35Å; D151-N155 PolarHBondContact OD1-N 2.81Å; D151-N155 PolarHBondContact OD1-ND2 3.17Å; D151-N155 PolarHBondContact OD2-ND2 2.88Å; K153-N155 WeakPolarHBondContact CB-ND2 3.43Å
156I95.6Very high89Confident0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-66.7140.5179.1-60.2-68000111.4H78 L104 F122 Q125 I126 L148 L149 L150 I158H78-I156 WeakPolarHBondContact CA-O 3.35Å; H78-I156 PolarHBondContact ND1-O 3.01Å; L104-I156 HydrophobicContact CD1-CD1 4.21Å; L104-I156 HydrophobicContact CD2-CD1 3.83Å; L104-I156 HydrophobicContact CG-CD1 4.41Å; F122-I156 HydrophobicContact CB-CD1 4.16Å; F122-I156 HydrophobicContact CB-CG1 4.22Å; F122-I156 HydrophobicContact CD1-CD1 3.76Å; F122-I156 HydrophobicContact CD1-CG1 3.94Å; F122-I156 HydrophobicContact CG-CD1 4.29Å; Q125-I156 HydrophobicContact CB-CB 3.97Å; Q125-I156 HydrophobicContact CB-CG1 4.01Å; I126-I156 HydrophobicContact CD1-CD1 4.45Å; I126-I156 HydrophobicContact CG1-CD1 4.38Å; I126-I156 HydrophobicContact CG1-CG1 4.09Å; I126-I156 HydrophobicContact CG1-CG2 4.02Å; L148-I156 HydrophobicContact CB-CD1 4.41Å; L148-I156 HydrophobicContact CD2-CG2 4.04Å; L149-I156 CarbonylContact O-C 3.59Å; L149-I156 WeakPolarHBondContact O-CA 3.34Å; L150-I156 HydrophobicContact CD2-CD1 3.91Å; I156-I158 HydrophobicContact CG2-CG1 4.05Å
157R95.4Very high88.9Confident37 Ų3731.1 Ų31.114%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-129.3112.3158-60.2-59.3-173.5109.519.6109.2P77 H78 V79 E97 V99 L149P77-R157 WeakPolarHBondContact O-CD 3.13Å; P77-R157 VanDerWaalsContact O-CZ 3.28Å; P77-R157 PolarHBondContact O-NE 3.21Å; H78-R157 CarbonylContact O-C 3.51Å; H78-R157 WeakPolarHBondContact O-CA 3.44Å; V79-R157 PolarHBondContact O-NH1 2.77Å; E97-R157 VanDerWaalsContact CD-NH1 3.29Å; E97-R157 IonicContact OE1-CZ 2.64Å; E97-R157 VanDerWaalsContact OE1-CZ 3.24Å; E97-R157 IonicContact OE1-NH1 3.24Å; E97-R157 PolarHBondContact OE1-NH1 3.41Å; E97-R157 IonicContact OE1-NH2 3.38Å; E97-R157 PolarHBondContact OE1-NH2 2.92Å; E97-R157 IonicContact OE2-CZ 3.46Å; E97-R157 IonicContact OE2-NH1 3.41Å; E97-R157 PolarHBondContact OE2-NH1 2.79Å; E97-R157 IonicContact OE2-NH2 3.85Å; V99-R157 HydrophobicContact CG2-CB 4.32Å; V99-R157 HydrophobicContact CG2-CG 4.01Å; L149-R157 HydrophobicContact CB-CB 4.4Å; L149-R157 PolarHBondContact N-O 2.99Å; L149-R157 PolarHBondContact O-N 2.73Å
158I95.7Very high87.9Confident0 Ų031.8 Ų31.80%016%0.158CC..EExtended strand (participates in β ladder)trans-71134.7174.8-52.5-168000109.6H78 L80 I126 A129 L130 L143 L148 I156 F161H78-I158 PolarHBondContact O-N 3.29Å; L80-I158 WeakPolarHBondContact CB-O 3.44Å; L80-I158 PolarHBondContact N-O 3.33Å; I126-I158 HydrophobicContact CG2-CD1 4.46Å; A129-I158 HydrophobicContact CB-CD1 3.6Å; A129-I158 HydrophobicContact CB-CG1 4.12Å; L130-I158 HydrophobicContact CD1-CD1 4.48Å; L130-I158 HydrophobicContact CD2-CD1 4.12Å; L130-I158 HydrophobicContact CG-CD1 3.93Å; L143-I158 HydrophobicContact CD2-CD1 4.42Å; L143-I158 HydrophobicContact CD2-CG2 4.26Å; L148-I158 HydrophobicContact CD2-CB 4.37Å; L148-I158 HydrophobicContact CD2-CD1 4.23Å; L148-I158 HydrophobicContact CD2-CG1 3.7Å; L148-I158 HydrophobicContact CD2-CG2 4.44Å; I156-I158 HydrophobicContact CG2-CG1 4.05Å; I158-F161 HydrophobicContact CG2-CE2 4.14Å; I158-F161 HydrophobicContact CG2-CZ 4.21Å
159A91.7Very high86.9Confident12 Ų1233.7 Ų33.710%0.09918%0.178CC..  trans-136.3169.9-177.600000112.3L80 H140 N147 L149L80-A159 HydrophobicContact CB-CB 4.19Å; L80-A159 HydrophobicContact CD2-CB 3.8Å; H140-A159 PolarHBondContact NE2-O 2.97Å; N147-A159 WeakPolarHBondContact CB-O 3.19Å; N147-A159 PolarHBondContact O-N 3.22Å; L149-A159 HydrophobicContact CD1-CB 4.02Å; L149-A159 HydrophobicContact CG-CB 4.24Å
160D85.4Confident86Confident50 Ų5038.6 Ų38.627%0.26721%0.205SC..  trans62.862-179.7-156.46.1000115.8G162D160-G162 PolarHBondContact O-N 2.93Å; D160-G162 PolarHBondContact OD1-N 3.44Å
161F87.4Confident85.3Confident0 Ų041.4 Ų41.40%022%0.224CC..G310 helixtrans-71.912.7171.2-72.2-102.8000113.4E67 I70 L71 I74 V79 I138 H140 I158 M163 A164E67-F161 HydrophobicContact CG-CB 4.46Å; I70-F161 HydrophobicContact CB-CB 4.49Å; I70-F161 HydrophobicContact CG2-CB 4.03Å; I70-F161 HydrophobicContact CG2-CD1 3.58Å; I70-F161 HydrophobicContact CG2-CE1 4.27Å; I70-F161 HydrophobicContact CG2-CG 3.95Å; L71-F161 HydrophobicContact CD2-CD2 3.73Å; L71-F161 HydrophobicContact CD2-CE2 4.04Å; L71-F161 HydrophobicContact CD2-CG 4.41Å; L71-F161 HydrophobicContact CG-CD2 4.47Å; I74-F161 HydrophobicContact CD1-CD1 4.29Å; I74-F161 HydrophobicContact CD1-CE1 3.63Å; I74-F161 HydrophobicContact CD1-CE2 4.35Å; I74-F161 HydrophobicContact CD1-CZ 3.67Å; V79-F161 HydrophobicContact CG1-CE2 3.84Å; V79-F161 HydrophobicContact CG1-CZ 4.01Å; V79-F161 HydrophobicContact CG2-CZ 4.32Å; I138-F161 HydrophobicContact CG2-CD1 4.35Å; I138-F161 HydrophobicContact CG2-CE1 4.42Å; H140-F161 AromaticContact CD2-CD1 3.77Å; H140-F161 AromaticContact CD2-CE1 3.63Å; H140-F161 AromaticContact CD2-CZ 3.79Å; I158-F161 HydrophobicContact CG2-CE2 4.14Å; I158-F161 HydrophobicContact CG2-CZ 4.21Å; F161-M163 PolarHBondContact O-N 2.81Å; F161-A164 HydrophobicContact CB-CB 4.02Å; F161-A164 HydrophobicContact CD1-CB 3.93Å; F161-A164 HydrophobicContact CG-CB 4.44Å; F161-A164 WeakPolarHBondContact O-CB 3.24Å; F161-A164 PolarHBondContact O-N 2.93Å
162G80.5Confident85Confident5 Ų544.4 Ų44.45%0.05224%0.24CC..G310 helixtrans-64.6-19.8-179.200000114.8K63 D160K63-G162 VanDerWaalsContact CB-O 3.31Å; K63-G162 WeakPolarHBondContact CB-O 3.34Å; K63-G162 WeakPolarHBondContact CG-O 3.47Å; D160-G162 PolarHBondContact O-N 2.93Å; D160-G162 PolarHBondContact OD1-N 3.44Å
163M78.9Confident84.6Confident36 Ų3638.3 Ų38.318%0.17721%0.212CC..G310 helixtrans-100.4-4.3172.3-62.7-50.3-59.300113.8K63 D142 F161 C177K63-M163 HydrophobicContact CD-SD 3.72Å; K63-M163 VanDerWaalsContact CE-SD 3.55Å; K63-M163 PolarHBondContact NZ-SD 2.8Å; D142-M163 HydrophobicContact CB-CB 3.91Å; D142-M163 HydrophobicContact CB-CG 4.08Å; F161-M163 PolarHBondContact O-N 2.81Å; M163-C177 HydrophobicContact CE-CB 3.42Å; M163-C177 VanDerWaalsContact CE-CB 3.42Å
164A85.2Confident84.1Confident0 Ų036.3 Ų36.30%021%0.205CC..  trans-66.8168.4-178.500000111.9R66 I70 I138 C139 H140 F161R66-A164 WeakPolarHBondContact CD-O 3.23Å; R66-A164 PolarHBondContact NH1-O 3.36Å; I70-A164 HydrophobicContact CD1-CB 3.68Å; I138-A164 HydrophobicContact CG2-CB 4.45Å; C139-A164 CarbonylContact O-C 3.56Å; C139-A164 WeakPolarHBondContact O-CA 3.4Å; C139-A164 VanDerWaalsContact O-CB 3.25Å; C139-A164 WeakPolarHBondContact O-CB 3.47Å; H140-A164 WeakPolarHBondContact O-CA 3.27Å; H140-A164 PolarHBondContact O-N 3.16Å; F161-A164 HydrophobicContact CB-CB 4.02Å; F161-A164 HydrophobicContact CD1-CB 3.93Å; F161-A164 HydrophobicContact CG-CB 4.44Å; F161-A164 WeakPolarHBondContact O-CB 3.24Å; F161-A164 PolarHBondContact O-N 2.93Å
165S81.3Confident83.4Confident14 Ų1437.4 Ų37.410%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-156.4150.6179.5-172.40000110.6C139 R141C139-S165 PolarHBondContact N-O 3.31Å; C139-S165 PolarHBondContact O-N 2.97Å; R141-S165 PolarHBondContact NH1-OG 2.98Å
166L80.6Confident82.4Confident11 Ų1137 Ų376%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-66.4142.7156.6-70.6172.2000109.8S137 I138 L310 F313 I334S137-L166 CarbonylContact O-C 3.58Å; S137-L166 VanDerWaalsContact O-CA 3.28Å; S137-L166 WeakPolarHBondContact O-CA 3.42Å; I138-L166 HydrophobicContact CG1-CD2 3.74Å; L166-L310 HydrophobicContact CD1-CB 4.42Å; L166-L310 HydrophobicContact CD1-CD1 3.72Å; L166-F313 HydrophobicContact CD1-CE2 3.91Å; L166-F313 HydrophobicContact CD1-CZ 4.27Å; L166-I334 HydrophobicContact CD1-CD1 3.47Å; L166-I334 VanDerWaalsContact CD1-CD1 3.47Å; L166-I334 HydrophobicContact CD1-CG1 4.29Å; L166-I334 HydrophobicContact CD1-CG2 4.46Å; L166-I334 HydrophobicContact CD2-CD1 4.38Å
167Q79.6Confident81.5Confident3 Ų337.3 Ų37.31%0.01422%0.215CC..  trans-149.3113.9170.9-175.5-158.5-23.500107.3S137 C139 S171 L173 D194S137-Q167 WeakPolarHBondContact CB-O 3.26Å; S137-Q167 PolarHBondContact O-N 2.62Å; C139-Q167 PolarHBondContact SG-OE1 3.37Å; Q167-S171 WeakPolarHBondContact CG-O 3.26Å; Q167-S171 PolarHBondContact NE2-O 2.83Å; Q167-L173 HydrophobicContact CB-CD1 4.17Å; Q167-L173 HydrophobicContact CB-CD2 4.05Å; Q167-L173 HydrophobicContact CB-CG 4.18Å; Q167-L173 HydrophobicContact CG-CD1 4.3Å; Q167-L173 HydrophobicContact CG-CD2 4.17Å; Q167-L173 HydrophobicContact CG-CG 3.98Å; Q167-D194 PolarHBondContact NE2-OD1 2.91Å; Q167-D194 PolarHBondContact OE1-OD1 3.34Å
168V70.9Confident80.4Confident28 Ų2836.7 Ų36.717%0.1722%0.221CC..  trans-121.4140.1-165.4-156.50000110.6D170 S171 Q330V168-D170 PolarHBondContact O-N 2.87Å; V168-S171 PolarHBondContact N-OG 2.89Å; V168-S171 VanDerWaalsContact N-OG 3.09Å; V168-S171 WeakPolarHBondContact O-CB 3.42Å; V168-S171 PolarHBondContact O-N 2.9Å; V168-S171 VanDerWaalsContact O-N 3.17Å; V168-S171 PolarHBondContact O-OG 3.01Å; V168-Q330 HydrophobicContact CB-CG 4.49Å; V168-Q330 VanDerWaalsContact CB-OE1 3.24Å; V168-Q330 HydrophobicContact CG1-CB 4.27Å; V168-Q330 HydrophobicContact CG1-CG 3.74Å
169G73.9Confident79.6Confident40 Ų4038 Ų3841%0.41223%0.23SC..THydrogen-bonded Turntrans57-126.5-170.900000111.5R196G169-R196 PolarHBondContact O-NH1 3.25Å; G169-R196 PolarHBondContact O-NH2 3Å
170D76.3Confident79.1Confident144 Ų14438.2 Ų38.277%0.7723%0.231SC*.THydrogen-bonded Turntrans-10820177.4-58.2-47000112.9V168 L172 R196V168-D170 PolarHBondContact O-N 2.87Å; D170-L172 PolarHBondContact O-N 2.86Å; D170-R196 IonicContact OD1-NH2 3.52Å
171S77.9Confident79.1Confident59 Ų5937.9 Ų37.941%0.41323%0.227SC..PPolyproline II helixtrans-60.4134169.558.80000110.4Q167 V168Q167-S171 WeakPolarHBondContact CG-O 3.26Å; Q167-S171 PolarHBondContact NE2-O 2.83Å; V168-S171 PolarHBondContact N-OG 2.89Å; V168-S171 VanDerWaalsContact N-OG 3.09Å; V168-S171 WeakPolarHBondContact O-CB 3.42Å; V168-S171 PolarHBondContact O-N 2.9Å; V168-S171 VanDerWaalsContact O-N 3.17Å; V168-S171 PolarHBondContact O-OG 3.01Å
172L84.5Confident79.4Confident92 Ų9238.7 Ų38.748%0.48223%0.23SC..PPolyproline II helixtrans-100.9143.2178.9-58.5-178.9000110.6D170 K192 D194D170-L172 PolarHBondContact O-N 2.86Å; L172-K192 HydrophobicContact CB-CB 3.75Å; L172-K192 HydrophobicContact CD1-CB 3.96Å; L172-D194 HydrophobicContact CD2-CB 4.34Å
173L82.4Confident80Confident17 Ų1738.9 Ų38.99%0.08923%0.231CC..BIsolated β-bridgetrans-88.7137-179.9-60.3172000110.2R141 Q167 K192 Y193R141-L173 HydrophobicContact CG-CD1 4.48Å; Q167-L173 HydrophobicContact CB-CD1 4.17Å; Q167-L173 HydrophobicContact CB-CD2 4.05Å; Q167-L173 HydrophobicContact CB-CG 4.18Å; Q167-L173 HydrophobicContact CG-CD1 4.3Å; Q167-L173 HydrophobicContact CG-CD2 4.17Å; Q167-L173 HydrophobicContact CG-CG 3.98Å; L173-K192 CarbonylContact O-C 3.56Å; L173-K192 WeakPolarHBondContact O-CA 3.43Å; L173-Y193 HydrophobicContact CB-CD1 4.33Å; L173-Y193 HydrophobicContact CB-CD2 4.26Å; L173-Y193 HydrophobicContact CB-CE1 3.95Å; L173-Y193 HydrophobicContact CB-CE2 3.88Å; L173-Y193 HydrophobicContact CB-CG 4.48Å; L173-Y193 HydrophobicContact CD1-CE2 3.88Å; L173-Y193 PolarHBondContact N-O 3.1Å; L173-Y193 WeakPolarHBondContact O-CD1 3.28Å; L173-Y193 WeakPolarHBondContact O-CE1 3.25Å; L173-Y193 PolarHBondContact O-N 2.88Å
174E78.4Confident80.8Confident123 Ų12337.2 Ų37.258%0.57522%0.223SC*.  trans-108.4-12.6-175.4-48.7-171.116200113.8S176 K192E174-S176 PolarHBondContact O-N 3.09Å; E174-K192 HydrophobicContact CG-CD 4.02Å; E174-K192 HydrophobicContact CG-CG 4.09Å; E174-K192 WeakPolarHBondContact OE1-CD 3.41Å; E174-K192 WeakPolarHBondContact OE1-CE 3.39Å; E174-K192 IonicContact OE1-NZ 2.6Å; E174-K192 PolarHBondContact OE1-NZ 3.18Å
175T75.7Confident81.3Confident83 Ų8337.2 Ų37.251%0.50922%0.223SC..  trans-88.5107.3-175.5-56.40000110.1R141 C177 Y193R141-T175 PolarHBondContact NH2-O 3.32Å; T175-C177 PolarHBondContact O-N 3.12Å; T175-Y193 PolarHBondContact O-OH 2.57Å
176S73.6Confident81.9Confident23 Ų2337 Ų3716%0.16122%0.221CC..  trans-55.9133.7166.5-62.50000110.7E174 V187 F763E174-S176 PolarHBondContact O-N 3.09Å; S176-V187 WeakPolarHBondContact CB-O 3.45Å; S176-V187 PolarHBondContact OG-O 3.5Å; S176-F763 WeakPolarHBondContact O-CE1 3.45Å; S176-F763 WeakPolarHBondContact O-CZ 3.35Å
177C75.4Confident82.3Confident6 Ų636.8 Ų36.84%0.04122%0.22CC..  trans-163.7175.9-17859.30000110.4R141 M163 T175 V187 Y193R141-C177 PolarHBondContact NE-SG 2.94Å; R141-C177 PolarHBondContact NH2-SG 2.85Å; M163-C177 HydrophobicContact CE-CB 3.42Å; M163-C177 VanDerWaalsContact CE-CB 3.42Å; T175-C177 PolarHBondContact O-N 3.12Å; C177-V187 VanDerWaalsContact O-CG1 3.24Å; C177-V187 WeakPolarHBondContact O-CG1 3.31Å; C177-Y193 PolarHBondContact SG-OH 3.47Å; C177-Y193 VanDerWaalsContact SG-OH 3.37Å
178G72.9Confident82.7Confident24 Ų2437.3 Ų37.325%0.24722%0.223CC..SBendtrans91.7164.6-179.200000112.7R141 D142R141-G178 WeakPolarHBondContact O-CA 3.24Å; D142-G178 WeakPolarHBondContact OD1-CA 3.22Å
179S79.8Confident83.3Confident29 Ų2939.9 Ų39.920%0.20323%0.229CC..  trans-83.1128.4-177.6-51.90000109.8D142 K144 H181 Y182 A183D142-S179 WeakPolarHBondContact OD1-CB 3.26Å; D142-S179 PolarHBondContact OD1-N 2.78Å; D142-S179 PolarHBondContact OD1-OG 2.89Å; K144-S179 WeakPolarHBondContact CD-OG 3.47Å; K144-S179 PolarHBondContact NZ-OG 3.45Å; S179-H181 VanDerWaalsContact C-N 3.33Å; S179-H181 PolarHBondContact O-N 3.19Å; S179-H181 VanDerWaalsContact O-N 3.08Å; S179-Y182 PolarHBondContact O-N 3.32Å; S179-A183 PolarHBondContact O-N 2.96Å
180P81.3Confident83.8Confident16 Ų1640 Ų4010%0.10423%0.231CC..G310 helixtrans-51.7-41.9-161.9-32.236.3000116.2Y182 A183 L222 L225 L226 F762P180-Y182 PolarHBondContact O-N 3.19Å; P180-A183 PolarHBondContact O-N 3.49Å; P180-L222 HydrophobicContact CB-CD1 4.03Å; P180-L222 HydrophobicContact CG-CD1 4.08Å; P180-L225 HydrophobicContact CB-CD2 4.07Å; P180-L226 HydrophobicContact CB-CD2 4.27Å; P180-F762 HydrophobicContact CG-CZ 4.35Å
181H84.9Confident84.4Confident43 Ų4337 Ų3720%0.19921%0.213CC..G310 helixtrans-59.6-24.9178.6-63.188.6000114.6S179 L215 L225S179-H181 VanDerWaalsContact C-N 3.33Å; S179-H181 PolarHBondContact O-N 3.19Å; S179-H181 VanDerWaalsContact O-N 3.08Å; H181-L215 HydrophobicContact CB-CD1 3.98Å; H181-L225 VanDerWaalsContact CE1-CD2 3.46Å; H181-L225 WeakPolarHBondContact CE1-CD2 3.48Å; H181-L225 VanDerWaalsContact NE2-CD2 3.32Å; H181-L225 WeakPolarHBondContact NE2-CD2 3.32Å
182Y94.3Very high84.9Confident16 Ų1640.5 Ų40.56%0.06322%0.22CC..G310 helixtrans-111.4-7.2-177-53.5-82.9000113.1L143 K144 P145 S179 P180 S202 V205 I206 L215L143-Y182 WeakPolarHBondContact O-CB 3.26Å; K144-Y182 HydrophobicContact CB-CD1 4.47Å; K144-Y182 HydrophobicContact CB-CD2 3.67Å; K144-Y182 HydrophobicContact CB-CE2 3.68Å; K144-Y182 HydrophobicContact CB-CG 4.08Å; P145-Y182 VanDerWaalsContact CD-CE1 3.46Å; P145-Y182 VanDerWaalsContact CD-OH 3.23Å; P145-Y182 WeakPolarHBondContact CD-OH 3.45Å; P145-Y182 HydrophobicContact CG-CE1 4.12Å; S179-Y182 PolarHBondContact O-N 3.32Å; P180-Y182 PolarHBondContact O-N 3.19Å; Y182-S202 WeakPolarHBondContact O-CB 3.49Å; Y182-S202 PolarHBondContact O-OG 3.31Å; Y182-V205 HydrophobicContact CD1-CB 4.12Å; Y182-V205 HydrophobicContact CD1-CG1 3.45Å; Y182-V205 VanDerWaalsContact CD1-CG1 3.45Å; Y182-V205 HydrophobicContact CE1-CG1 3.85Å; Y182-V205 HydrophobicContact CG-CG1 4.36Å; Y182-I206 HydrophobicContact CD1-CG1 4.07Å; Y182-I206 HydrophobicContact CE1-CG1 4.19Å; Y182-L215 HydrophobicContact CE1-CD2 3.79Å
183A92.6Very high85.2Confident9 Ų936.3 Ų36.37%0.07420%0.198CC..SBendtrans-74.7148.7178.700000111.1S179 P180 V187 I188 W201S179-A183 PolarHBondContact O-N 2.96Å; P180-A183 PolarHBondContact O-N 3.49Å; A183-V187 HydrophobicContact CB-CG1 4.21Å; A183-I188 HydrophobicContact CB-CD1 4.17Å; A183-I188 HydrophobicContact CB-CG1 4.11Å; A183-W201 PolarHBondContact O-NE1 3.42Å
184C95.3Very high85.7Confident1 Ų137 Ų371%0.00720%0.202CC..  trans-82.5159.817656.40000112.6E186 V187 I188 A198 W201C184-E186 VanDerWaalsContact C-N 3.31Å; C184-E186 PolarHBondContact O-N 2.9Å; C184-E186 PolarHBondContact SG-OE1 3.41Å; C184-V187 PolarHBondContact O-N 2.92Å; C184-V187 WeakPolarHBondContact SG-CG2 3.34Å; C184-I188 PolarHBondContact O-N 3.37Å; C184-I188 VanDerWaalsContact O-N 3.17Å; C184-A198 VanDerWaalsContact SG-CB 3.54Å; C184-W201 HydrophobicContact CB-CB 3.81Å; C184-W201 HydrophobicContact CB-CD2 4.01Å; C184-W201 HydrophobicContact CB-CG 3.6Å
185P94.8Very high86.4Confident0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-56.2-39.9-175.9-29.338.7000114.4I188 R189 W201 V229 V254P185-I188 PolarHBondContact O-N 3.47Å; P185-R189 VanDerWaalsContact CB-NH1 3.28Å; P185-R189 WeakPolarHBondContact O-CG 3.3Å; P185-R189 PolarHBondContact O-N 3.27Å; P185-W201 HydrophobicContact CG-CH2 3.7Å; P185-W201 HydrophobicContact CG-CZ2 4.07Å; P185-W201 HydrophobicContact CG-CZ3 3.97Å; P185-V229 HydrophobicContact CG-CG1 4.32Å; P185-V229 WeakPolarHBondContact CG-O 3.35Å; P185-V254 HydrophobicContact CB-CG1 4.18Å; P185-V254 HydrophobicContact CG-CG1 4.11Å; P185-V254 HydrophobicContact CG-CG2 4.38Å
186E93.9Very high87.3Confident9 Ų930.5 Ų30.54%0.04216%0.163CC..Hα-helixtrans-68.4-36-179.963-82.1-169.800113.1C184 I188 R189 G190 E191 R259C184-E186 VanDerWaalsContact C-N 3.31Å; C184-E186 PolarHBondContact O-N 2.9Å; C184-E186 PolarHBondContact SG-OE1 3.41Å; E186-I188 VanDerWaalsContact C-N 3.33Å; E186-I188 PolarHBondContact O-N 2.77Å; E186-R189 PolarHBondContact O-N 2.91Å; E186-G190 PolarHBondContact O-N 3.18Å; E186-E191 WeakPolarHBondContact CA-OE2 3.42Å; E186-E191 HydrophobicContact CB-CB 4.24Å; E186-E191 VanDerWaalsContact CB-OE2 3.28Å; E186-E191 WeakPolarHBondContact CB-OE2 3.33Å; E186-E191 PolarHBondContact O-N 3.36Å; E186-R259 IonicContact OE1-CZ 2.57Å; E186-R259 IonicContact OE1-NH1 3.7Å; E186-R259 PolarHBondContact OE1-NH1 3.2Å; E186-R259 IonicContact OE1-NH2 3.79Å; E186-R259 PolarHBondContact OE1-NH2 3.26Å; E186-R259 IonicContact OE2-CZ 3.88Å; E186-R259 IonicContact OE2-NH1 2.86Å; E186-R259 IonicContact OE2-NH2 2.86Å; E186-R259 PolarHBondContact OE2-NH2 3.12Å
187V89.6Confident88.5Confident8 Ų830.8 Ų30.85%0.04816%0.161CC..Hα-helixtrans-65.7-38173.41650000111.2S176 C177 A183 C184 G190 Y193 A198S176-V187 WeakPolarHBondContact CB-O 3.45Å; S176-V187 PolarHBondContact OG-O 3.5Å; C177-V187 VanDerWaalsContact O-CG1 3.24Å; C177-V187 WeakPolarHBondContact O-CG1 3.31Å; A183-V187 HydrophobicContact CB-CG1 4.21Å; C184-V187 PolarHBondContact O-N 2.92Å; C184-V187 WeakPolarHBondContact SG-CG2 3.34Å; V187-G190 PolarHBondContact O-N 3.22Å; V187-Y193 HydrophobicContact CG2-CD1 3.63Å; V187-Y193 HydrophobicContact CG2-CD2 3.66Å; V187-Y193 HydrophobicContact CG2-CE1 3.62Å; V187-Y193 HydrophobicContact CG2-CE2 3.64Å; V187-Y193 HydrophobicContact CG2-CG 3.66Å; V187-A198 HydrophobicContact CG2-CB 4.46Å
188I87.6Confident89.5Confident14 Ų1430.8 Ų30.87%0.07216%0.161CC..Hα-helixtrans-69.3-36.7176.9-75.4165.9000111.9A183 C184 P185 E186 G190 L226 V229 K230 F770A183-I188 HydrophobicContact CB-CD1 4.17Å; A183-I188 HydrophobicContact CB-CG1 4.11Å; C184-I188 PolarHBondContact O-N 3.37Å; C184-I188 VanDerWaalsContact O-N 3.17Å; P185-I188 PolarHBondContact O-N 3.47Å; E186-I188 VanDerWaalsContact C-N 3.33Å; E186-I188 PolarHBondContact O-N 2.77Å; I188-G190 PolarHBondContact O-N 2.87Å; I188-L226 HydrophobicContact CB-CD2 4.49Å; I188-L226 HydrophobicContact CD1-CD2 3.81Å; I188-L226 HydrophobicContact CG1-CD2 3.9Å; I188-L226 HydrophobicContact CG2-CB 4.1Å; I188-L226 HydrophobicContact CG2-CD1 4.44Å; I188-L226 HydrophobicContact CG2-CD2 3.8Å; I188-L226 HydrophobicContact CG2-CG 4.31Å; I188-V229 HydrophobicContact CD1-CB 3.85Å; I188-V229 HydrophobicContact CD1-CG1 3.37Å; I188-V229 HydrophobicContact CD1-CG2 4.39Å; I188-K230 HydrophobicContact CG2-CG 4.31Å; I188-F770 VanDerWaalsContact O-CE2 3.26Å; I188-F770 WeakPolarHBondContact O-CE2 3.32Å
189R85Confident90.6Very high81 Ų8129.6 Ų29.631%0.30615%0.149SC..THydrogen-bonded Turntrans-76.4-7.2175.4-69-174.4-56.7-99.6-6.6113.8P185 E186 E191 K230P185-R189 VanDerWaalsContact CB-NH1 3.28Å; P185-R189 WeakPolarHBondContact O-CG 3.3Å; P185-R189 PolarHBondContact O-N 3.27Å; E186-R189 PolarHBondContact O-N 2.91Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 HydrophobicContact CB-CG 3.92Å; R189-E191 WeakPolarHBondContact CD-OE1 3.44Å; R189-E191 IonicContact CZ-OE1 2.82Å; R189-E191 IonicContact CZ-OE2 3.75Å; R189-E191 VanDerWaalsContact CZ-OE2 3.3Å; R189-E191 IonicContact NE-OE1 3.81Å; R189-E191 PolarHBondContact NE-OE1 3.28Å; R189-E191 IonicContact NE-OE2 3.14Å; R189-E191 PolarHBondContact NE-OE2 3.03Å; R189-E191 IonicContact NH2-OE1 2.59Å; R189-E191 IonicContact NH2-OE2 2.68Å; R189-E191 PolarHBondContact NH2-OE2 2.87Å; R189-K230 HydrophobicContact CG-CG 4.41Å
190G83.9Confident91.5Very high44 Ų4428.2 Ų28.245%0.45414%0.14SC..THydrogen-bonded Turntrans70.626.2-176.600000113.5E186 V187 I188E186-G190 PolarHBondContact O-N 3.18Å; V187-G190 PolarHBondContact O-N 3.22Å; I188-G190 PolarHBondContact O-N 2.87Å
191E87.6Confident92.3Very high81 Ų8127.5 Ų27.538%0.37914%0.135SC..  trans-79.6165.4177.8-68.3164.9174.500110.9E186 R189 Y193E186-E191 WeakPolarHBondContact CA-OE2 3.42Å; E186-E191 HydrophobicContact CB-CB 4.24Å; E186-E191 VanDerWaalsContact CB-OE2 3.28Å; E186-E191 WeakPolarHBondContact CB-OE2 3.33Å; E186-E191 PolarHBondContact O-N 3.36Å; R189-E191 VanDerWaalsContact C-N 3.3Å; R189-E191 HydrophobicContact CB-CG 3.92Å; R189-E191 WeakPolarHBondContact CD-OE1 3.44Å; R189-E191 IonicContact CZ-OE1 2.82Å; R189-E191 IonicContact CZ-OE2 3.75Å; R189-E191 VanDerWaalsContact CZ-OE2 3.3Å; R189-E191 IonicContact NE-OE1 3.81Å; R189-E191 PolarHBondContact NE-OE1 3.28Å; R189-E191 IonicContact NE-OE2 3.14Å; R189-E191 PolarHBondContact NE-OE2 3.03Å; R189-E191 IonicContact NH2-OE1 2.59Å; R189-E191 IonicContact NH2-OE2 2.68Å; R189-E191 PolarHBondContact NH2-OE2 2.87Å; E191-Y193 WeakPolarHBondContact O-CD1 3.38Å
192K88.5Confident93Very high131 Ų13125.7 Ų25.757%0.5713%0.127SC*.  trans-76.8128.1168-47.7-162.8-173.7-161.60108.8L172 L173 E174L172-K192 HydrophobicContact CB-CB 3.75Å; L172-K192 HydrophobicContact CD1-CB 3.96Å; L173-K192 CarbonylContact O-C 3.56Å; L173-K192 WeakPolarHBondContact O-CA 3.43Å; E174-K192 HydrophobicContact CG-CD 4.02Å; E174-K192 HydrophobicContact CG-CG 4.09Å; E174-K192 WeakPolarHBondContact OE1-CD 3.41Å; E174-K192 WeakPolarHBondContact OE1-CE 3.39Å; E174-K192 IonicContact OE1-NZ 2.6Å; E174-K192 PolarHBondContact OE1-NZ 3.18Å
193Y91.5Very high93.2Very high5 Ų525 Ų252%0.0213%0.125CC..BIsolated β-bridgetrans-130.6155.4-170.164.1-86.1000113.9R141 L173 T175 C177 V187 E191 A198R141-Y193 PolarHBondContact NE-OH 3.41Å; R141-Y193 VanDerWaalsContact NE-OH 3.08Å; R141-Y193 PolarHBondContact NH2-OH 3.48Å; L173-Y193 HydrophobicContact CB-CD1 4.33Å; L173-Y193 HydrophobicContact CB-CD2 4.26Å; L173-Y193 HydrophobicContact CB-CE1 3.95Å; L173-Y193 HydrophobicContact CB-CE2 3.88Å; L173-Y193 HydrophobicContact CB-CG 4.48Å; L173-Y193 HydrophobicContact CD1-CE2 3.88Å; L173-Y193 PolarHBondContact N-O 3.1Å; L173-Y193 WeakPolarHBondContact O-CD1 3.28Å; L173-Y193 WeakPolarHBondContact O-CE1 3.25Å; L173-Y193 PolarHBondContact O-N 2.88Å; T175-Y193 PolarHBondContact O-OH 2.57Å; C177-Y193 PolarHBondContact SG-OH 3.47Å; C177-Y193 VanDerWaalsContact SG-OH 3.37Å; V187-Y193 HydrophobicContact CG2-CD1 3.63Å; V187-Y193 HydrophobicContact CG2-CD2 3.66Å; V187-Y193 HydrophobicContact CG2-CE1 3.62Å; V187-Y193 HydrophobicContact CG2-CE2 3.64Å; V187-Y193 HydrophobicContact CG2-CG 3.66Å; E191-Y193 WeakPolarHBondContact O-CD1 3.38Å; Y193-A198 HydrophobicContact CD2-CB 4.02Å; Y193-A198 HydrophobicContact CE2-CB 4.2Å
194D93.5Very high93.4Very high31 Ų3124.6 Ų24.617%0.16612%0.121CC..  trans-82.7112.3165.5-173.7-15.8000108.8Q167 L172 R196 K197 A198Q167-D194 PolarHBondContact NE2-OD1 2.91Å; Q167-D194 PolarHBondContact OE1-OD1 3.34Å; L172-D194 HydrophobicContact CD2-CB 4.34Å; D194-R196 PolarHBondContact O-N 3.26Å; D194-R196 VanDerWaalsContact OD1-CB 3.22Å; D194-R196 WeakPolarHBondContact OD1-CB 3.49Å; D194-R196 WeakPolarHBondContact OD1-CG 3.47Å; D194-R196 IonicContact OD1-CZ 2.64Å; D194-R196 PolarHBondContact OD1-N 2.85Å; D194-R196 IonicContact OD1-NE 3.75Å; D194-R196 PolarHBondContact OD1-NE 2.94Å; D194-R196 IonicContact OD1-NH2 3.54Å; D194-R196 IonicContact OD2-CZ 2.71Å; D194-R196 IonicContact OD2-NE 3.66Å; D194-R196 PolarHBondContact OD2-NE 3.13Å; D194-R196 VanDerWaalsContact OD2-NE 3.14Å; D194-R196 IonicContact OD2-NH2 3.3Å; D194-R196 PolarHBondContact OD2-NH2 2.86Å; D194-K197 HydrophobicContact CB-CB 4.15Å; D194-K197 HydrophobicContact CB-CG 3.85Å; D194-K197 WeakPolarHBondContact O-CB 3.18Å; D194-K197 PolarHBondContact O-N 2.86Å; D194-A198 PolarHBondContact O-N 2.97Å
195G92.9Very high93.6Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-60-26.9177.900000113.4K197 A198 D199G195-K197 VanDerWaalsContact C-N 3.35Å; G195-A198 PolarHBondContact O-N 3Å; G195-D199 PolarHBondContact O-N 2.76Å
196R95.1Very high93.7Very high69 Ų6924.6 Ų24.626%0.2612%0.121SC..Hα-helixtrans-67.8-38.6175.1-54.6168.1-67.2-149.73.9110.9H134 C139 G169 D170 D194 A200H134-R196 VanDerWaalsContact CE1-CA 3.44Å; H134-R196 WeakPolarHBondContact CE1-CA 3.19Å; C139-R196 VanDerWaalsContact SG-CG 3.59Å; G169-R196 PolarHBondContact O-NH1 3.25Å; G169-R196 PolarHBondContact O-NH2 3Å; D170-R196 IonicContact OD1-NH2 3.52Å; D194-R196 PolarHBondContact O-N 3.26Å; D194-R196 VanDerWaalsContact OD1-CB 3.22Å; D194-R196 WeakPolarHBondContact OD1-CB 3.49Å; D194-R196 WeakPolarHBondContact OD1-CG 3.47Å; D194-R196 IonicContact OD1-CZ 2.64Å; D194-R196 PolarHBondContact OD1-N 2.85Å; D194-R196 IonicContact OD1-NE 3.75Å; D194-R196 PolarHBondContact OD1-NE 2.94Å; D194-R196 IonicContact OD1-NH2 3.54Å; D194-R196 IonicContact OD2-CZ 2.71Å; D194-R196 IonicContact OD2-NE 3.66Å; D194-R196 PolarHBondContact OD2-NE 3.13Å; D194-R196 VanDerWaalsContact OD2-NE 3.14Å; D194-R196 IonicContact OD2-NH2 3.3Å; D194-R196 PolarHBondContact OD2-NH2 2.86Å; R196-A200 WeakPolarHBondContact O-CB 3.44Å; R196-A200 PolarHBondContact O-N 2.59Å; R196-A200 VanDerWaalsContact O-N 3.16Å
197K97.1Very high94Very high30 Ų3024.1 Ų24.113%0.1312%0.119CC..Hα-helixtrans-73.7-30.3173.8-61.3-72.3-169.3139.50112.1D194 G195 W201 A256 A257 R259D194-K197 HydrophobicContact CB-CB 4.15Å; D194-K197 HydrophobicContact CB-CG 3.85Å; D194-K197 WeakPolarHBondContact O-CB 3.18Å; D194-K197 PolarHBondContact O-N 2.86Å; G195-K197 VanDerWaalsContact C-N 3.35Å; K197-W201 PolarHBondContact O-N 3.24Å; K197-W201 VanDerWaalsContact O-N 3.14Å; K197-A256 HydrophobicContact CB-CB 4.46Å; K197-A256 VanDerWaalsContact CD-O 3.26Å; K197-A256 WeakPolarHBondContact CD-O 3.44Å; K197-A256 VanDerWaalsContact CE-O 3.24Å; K197-A256 WeakPolarHBondContact CE-O 3.27Å; K197-A256 PolarHBondContact NZ-O 3.37Å; K197-A257 PolarHBondContact NZ-O 2.6Å; K197-R259 PolarHBondContact NZ-O 3.22Å; K197-R259 WeakPolarHBondContact O-CD 3.32Å; K197-R259 PolarHBondContact O-NH1 3.2Å
198A96.4Very high94.4Very high5 Ų524.1 Ų24.14%0.04112%0.118CC..Hα-helixtrans-67.3-49.8172.700000111.5C184 V187 Y193 D194 G195 A200 W201 S202C184-A198 VanDerWaalsContact SG-CB 3.54Å; V187-A198 HydrophobicContact CG2-CB 4.46Å; Y193-A198 HydrophobicContact CD2-CB 4.02Å; Y193-A198 HydrophobicContact CE2-CB 4.2Å; D194-A198 PolarHBondContact O-N 2.97Å; G195-A198 PolarHBondContact O-N 3Å; A198-A200 VanDerWaalsContact C-N 3.26Å; A198-A200 PolarHBondContact O-N 2.97Å; A198-W201 WeakPolarHBondContact O-CB 3.09Å; A198-W201 PolarHBondContact O-N 3.47Å; A198-W201 VanDerWaalsContact O-N 3.1Å; A198-S202 PolarHBondContact O-N 3.08Å; A198-S202 PolarHBondContact O-OG 2.82Å
199D97.4Very high94.8Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-58.6-38.6175.7-75.9-16.4000111.7H134 C139 H140 R141 L143 G195 S202 C203H134-D199 IonicContact CD2-OD2 2.69Å; H134-D199 IonicContact CE1-OD2 2.99Å; H134-D199 IonicContact NE2-OD2 2.66Å; H134-D199 PolarHBondContact NE2-OD2 2.93Å; C139-D199 WeakPolarHBondContact CA-OD2 3.41Å; H140-D199 PolarHBondContact N-OD1 2.83Å; H140-D199 PolarHBondContact N-OD2 2.98Å; R141-D199 PolarHBondContact N-OD1 3.49Å; L143-D199 HydrophobicContact CD1-CB 3.77Å; G195-D199 PolarHBondContact O-N 2.76Å; D199-S202 PolarHBondContact O-N 2.85Å; D199-C203 WeakPolarHBondContact O-CB 3.35Å; D199-C203 PolarHBondContact O-N 3.19Å; D199-C203 PolarHBondContact O-SG 3.43Å
200A98.3Very high95.4Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-63-4117500000112.7R196 A198 C203 G204 M251 L262 I265R196-A200 WeakPolarHBondContact O-CB 3.44Å; R196-A200 PolarHBondContact O-N 2.59Å; R196-A200 VanDerWaalsContact O-N 3.16Å; A198-A200 VanDerWaalsContact C-N 3.26Å; A198-A200 PolarHBondContact O-N 2.97Å; A200-C203 PolarHBondContact O-N 2.89Å; A200-G204 PolarHBondContact O-N 2.8Å; A200-G204 VanDerWaalsContact O-N 3.11Å; A200-M251 WeakPolarHBondContact O-CE 3.32Å; A200-L262 HydrophobicContact CB-CD2 4.25Å; A200-I265 HydrophobicContact CB-CD1 4.34Å
201W98.6Very high96Very high0 Ų018.1 Ų18.10%08%0.083CC..Hα-helixtrans-61.8-49.9172.7172.6-81.1000111.5A183 C184 P185 K197 A198 C203 G204 V205 F217 V229 I252 E253 V254A183-W201 PolarHBondContact O-NE1 3.42Å; C184-W201 HydrophobicContact CB-CB 3.81Å; C184-W201 HydrophobicContact CB-CD2 4.01Å; C184-W201 HydrophobicContact CB-CG 3.6Å; P185-W201 HydrophobicContact CG-CH2 3.7Å; P185-W201 HydrophobicContact CG-CZ2 4.07Å; P185-W201 HydrophobicContact CG-CZ3 3.97Å; K197-W201 PolarHBondContact O-N 3.24Å; K197-W201 VanDerWaalsContact O-N 3.14Å; A198-W201 WeakPolarHBondContact O-CB 3.09Å; A198-W201 PolarHBondContact O-N 3.47Å; A198-W201 VanDerWaalsContact O-N 3.1Å; W201-C203 VanDerWaalsContact C-N 3.26Å; W201-C203 PolarHBondContact O-N 3.28Å; W201-G204 WeakPolarHBondContact O-CA 3.44Å; W201-G204 PolarHBondContact O-N 2.88Å; W201-V205 PolarHBondContact O-N 3.27Å; W201-F217 AromaticContact CH2-CE2 3.93Å; W201-F217 HydrophobicContact CH2-CE2 3.93Å; W201-F217 HydrophobicContact CH2-CZ 4.05Å; W201-F217 HydrophobicContact CZ2-CD2 4.25Å; W201-F217 AromaticContact CZ2-CE2 3.46Å; W201-F217 HydrophobicContact CZ2-CE2 3.46Å; W201-F217 VanDerWaalsContact CZ2-CE2 3.46Å; W201-F217 HydrophobicContact CZ2-CZ 4.05Å; W201-V229 HydrophobicContact CZ2-CG1 3.91Å; W201-I252 HydrophobicContact CD2-CG2 4.39Å; W201-I252 HydrophobicContact CE3-CB 4.5Å; W201-I252 HydrophobicContact CE3-CG2 4.1Å; W201-I252 HydrophobicContact CH2-CG2 3.53Å; W201-I252 HydrophobicContact CZ2-CG2 3.82Å; W201-I252 VanDerWaalsContact CZ3-C 3.47Å; W201-I252 HydrophobicContact CZ3-CB 4.37Å; W201-I252 HydrophobicContact CZ3-CG2 3.68Å; W201-E253 WeakPolarHBondContact CZ3-O 3.29Å; W201-V254 HydrophobicContact CZ3-CG2 4.49Å
202S98.3Very high96.4Very high6 Ų615.7 Ų15.74%0.0427%0.074CC..Hα-helixtrans-58.8-38.9178.4-52.70000111.8Y182 A198 D199 G204 V205 I206Y182-S202 WeakPolarHBondContact O-CB 3.49Å; Y182-S202 PolarHBondContact O-OG 3.31Å; A198-S202 PolarHBondContact O-N 3.08Å; A198-S202 PolarHBondContact O-OG 2.82Å; D199-S202 PolarHBondContact O-N 2.85Å; S202-G204 VanDerWaalsContact C-N 3.3Å; S202-G204 PolarHBondContact O-N 3.12Å; S202-V205 PolarHBondContact O-N 3.48Å; S202-I206 VanDerWaalsContact O-CG1 3.24Å; S202-I206 WeakPolarHBondContact O-CG1 3.47Å; S202-I206 PolarHBondContact O-N 3.03Å
203C98.5Very high96.4Very high1 Ų111.3 Ų11.31%0.0077%0.066CC..Hα-helixtrans-62.3-35.4173.2-70.40000112.9F123 I127 L130 D199 A200 W201 L207 M251F123-C203 HydrophobicContact CE2-CB 4.24Å; I127-C203 HydrophobicContact CD1-CB 4.26Å; L130-C203 WeakPolarHBondContact CD1-SG 3.45Å; D199-C203 WeakPolarHBondContact O-CB 3.35Å; D199-C203 PolarHBondContact O-N 3.19Å; D199-C203 PolarHBondContact O-SG 3.43Å; A200-C203 PolarHBondContact O-N 2.89Å; W201-C203 VanDerWaalsContact C-N 3.26Å; W201-C203 PolarHBondContact O-N 3.28Å; C203-L207 WeakPolarHBondContact O-CB 3.41Å; C203-L207 PolarHBondContact O-N 2.72Å; C203-M251 HydrophobicContact CB-CE 3.52Å
204G98.6Very high96.3Very high0 Ų013.6 Ų13.60%09%0.086CC..Hα-helixtrans-64.8-47174.400000111.8A200 W201 S202 I206 L207 F208 L248 M251A200-G204 PolarHBondContact O-N 2.8Å; A200-G204 VanDerWaalsContact O-N 3.11Å; W201-G204 WeakPolarHBondContact O-CA 3.44Å; W201-G204 PolarHBondContact O-N 2.88Å; S202-G204 VanDerWaalsContact C-N 3.3Å; S202-G204 PolarHBondContact O-N 3.12Å; G204-I206 VanDerWaalsContact C-N 3.34Å; G204-I206 PolarHBondContact O-N 2.9Å; G204-L207 PolarHBondContact O-N 2.99Å; G204-F208 PolarHBondContact O-N 3.47Å; G204-L248 WeakPolarHBondContact O-CD2 3.11Å; G204-M251 VanDerWaalsContact N-CE 3.35Å
205V98.3Very high96.3Very high0 Ų014.1 Ų14.10%09%0.088CC..Hα-helixtrans-58.3-45.3174.6177.20000111.2Y182 W201 S202 F208 A209 L215 P216Y182-V205 HydrophobicContact CD1-CB 4.12Å; Y182-V205 HydrophobicContact CD1-CG1 3.45Å; Y182-V205 VanDerWaalsContact CD1-CG1 3.45Å; Y182-V205 HydrophobicContact CE1-CG1 3.85Å; Y182-V205 HydrophobicContact CG-CG1 4.36Å; W201-V205 PolarHBondContact O-N 3.27Å; S202-V205 PolarHBondContact O-N 3.48Å; V205-F208 PolarHBondContact O-N 2.9Å; V205-A209 WeakPolarHBondContact O-CB 3.28Å; V205-A209 PolarHBondContact O-N 2.97Å; V205-L215 HydrophobicContact CG1-CD2 3.99Å; V205-P216 HydrophobicContact CB-CG 4.32Å; V205-P216 HydrophobicContact CG1-CG 3.96Å; V205-P216 HydrophobicContact CG2-CG 4.11Å
206I97.9Very high96.2Very high1 Ų114.9 Ų14.91%0.0059%0.093CC..Hα-helixtrans-63.3-45177.1-67.4167000111I126 L143 P145 L148 Y182 S202 G204 F208 A209 L210I126-I206 HydrophobicContact CD1-CG2 4.36Å; L143-I206 HydrophobicContact CB-CD1 4.17Å; P145-I206 HydrophobicContact CG-CG1 4.34Å; L148-I206 HydrophobicContact CD1-CD1 4.13Å; L148-I206 HydrophobicContact CD1-CG2 4.09Å; Y182-I206 HydrophobicContact CD1-CG1 4.07Å; Y182-I206 HydrophobicContact CE1-CG1 4.19Å; S202-I206 VanDerWaalsContact O-CG1 3.24Å; S202-I206 WeakPolarHBondContact O-CG1 3.47Å; S202-I206 PolarHBondContact O-N 3.03Å; G204-I206 VanDerWaalsContact C-N 3.34Å; G204-I206 PolarHBondContact O-N 2.9Å; I206-F208 VanDerWaalsContact C-N 3.34Å; I206-F208 PolarHBondContact O-N 3.37Å; I206-A209 PolarHBondContact O-N 2.89Å; I206-L210 HydrophobicContact CG2-CD1 4.07Å; I206-L210 HydrophobicContact CG2-CG 4.41Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.33Å
207L98.6Very high96.1Very high0 Ų011.7 Ų11.70%08%0.081CC..Hα-helixtrans-61.8-41.5177.4179.158.6000111.9A119 F123 C203 G204 L210 L211 L247 L248 W270A119-L207 HydrophobicContact CB-CD1 4.35Å; F123-L207 HydrophobicContact CB-CD1 4.31Å; F123-L207 HydrophobicContact CD1-CD2 4.5Å; F123-L207 HydrophobicContact CD2-CB 3.88Å; F123-L207 HydrophobicContact CD2-CD1 4.05Å; F123-L207 HydrophobicContact CD2-CD2 4.05Å; F123-L207 HydrophobicContact CD2-CG 4.2Å; F123-L207 HydrophobicContact CE1-CD2 4.3Å; F123-L207 HydrophobicContact CE2-CB 3.87Å; F123-L207 HydrophobicContact CE2-CD2 3.85Å; F123-L207 HydrophobicContact CE2-CG 4.32Å; F123-L207 HydrophobicContact CG-CD1 4.18Å; F123-L207 HydrophobicContact CG-CD2 4.37Å; F123-L207 HydrophobicContact CZ-CD2 3.98Å; C203-L207 WeakPolarHBondContact O-CB 3.41Å; C203-L207 PolarHBondContact O-N 2.72Å; G204-L207 PolarHBondContact O-N 2.99Å; L207-L210 PolarHBondContact O-N 3.14Å; L207-L211 HydrophobicContact CD1-CD1 3.87Å; L207-L211 HydrophobicContact CD1-CG 4.23Å; L207-L211 HydrophobicContact CG-CD1 3.92Å; L207-L211 WeakPolarHBondContact O-CD1 3.45Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.11Å; L207-L211 VanDerWaalsContact O-N 3.16Å; L207-L247 HydrophobicContact CD2-CD2 3.98Å; L207-L247 HydrophobicContact CD2-CG 4.48Å; L207-L248 HydrophobicContact CB-CD2 4Å; L207-L248 HydrophobicContact CD2-CD2 3.97Å; L207-L248 HydrophobicContact CD2-CG 4.36Å; L207-L248 HydrophobicContact CG-CD2 3.9Å; L207-W270 HydrophobicContact CD1-CH2 3.63Å; L207-W270 HydrophobicContact CD1-CZ2 4.46Å; L207-W270 HydrophobicContact CD1-CZ3 4.09Å; L207-W270 HydrophobicContact CD2-CH2 4.31Å; L207-W270 HydrophobicContact CD2-CZ3 4.03Å
208F98.5Very high95.6Very high8 Ų814.6 Ų14.64%0.03510%0.098CC..Hα-helixtrans-59.5-49.9173.7-174.1-83.7000111.1G204 V205 I206 L210 L211 V212 A214 P216 F234 H235 L248 I252G204-F208 PolarHBondContact O-N 3.47Å; V205-F208 PolarHBondContact O-N 2.9Å; I206-F208 VanDerWaalsContact C-N 3.34Å; I206-F208 PolarHBondContact O-N 3.37Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.33Å; F208-L211 PolarHBondContact O-N 3.29Å; F208-L211 VanDerWaalsContact O-N 3.11Å; F208-V212 HydrophobicContact CD1-CB 4.21Å; F208-V212 HydrophobicContact CD1-CG2 4Å; F208-V212 HydrophobicContact CD2-CG2 4.26Å; F208-V212 HydrophobicContact CE1-CB 3.94Å; F208-V212 HydrophobicContact CE1-CG1 4.06Å; F208-V212 HydrophobicContact CE1-CG2 3.75Å; F208-V212 HydrophobicContact CE2-CG2 4.01Å; F208-V212 HydrophobicContact CG-CG2 4.26Å; F208-V212 HydrophobicContact CZ-CB 4.38Å; F208-V212 HydrophobicContact CZ-CG1 4.37Å; F208-V212 HydrophobicContact CZ-CG2 3.77Å; F208-V212 WeakPolarHBondContact O-CB 3.47Å; F208-V212 WeakPolarHBondContact O-CG2 3.42Å; F208-V212 PolarHBondContact O-N 3.29Å; F208-A214 VanDerWaalsContact CD1-O 3.32Å; F208-A214 WeakPolarHBondContact CD1-O 3.29Å; F208-A214 WeakPolarHBondContact CE1-O 3.29Å; F208-P216 HydrophobicContact CB-CG 4.4Å; F208-P216 HydrophobicContact CD1-CB 3.8Å; F208-P216 HydrophobicContact CD1-CG 4.12Å; F208-P216 HydrophobicContact CD2-CB 4.26Å; F208-P216 HydrophobicContact CE1-CB 3.95Å; F208-P216 HydrophobicContact CE2-CB 4.41Å; F208-P216 HydrophobicContact CG-CB 3.95Å; F208-P216 HydrophobicContact CG-CG 4.27Å; F208-P216 HydrophobicContact CZ-CB 4.25Å; F208-F234 AromaticContact CD2-CD2 3.92Å; F208-F234 HydrophobicContact CD2-CD2 3.92Å; F208-F234 AromaticContact CD2-CE2 3.76Å; F208-F234 HydrophobicContact CD2-CE2 3.76Å; F208-F234 AromaticContact CE2-CD2 3.51Å; F208-F234 HydrophobicContact CE2-CD2 3.51Å; F208-F234 AromaticContact CE2-CE2 3.7Å; F208-F234 HydrophobicContact CE2-CE2 3.7Å; F208-F234 HydrophobicContact CZ-CD2 4.18Å; F208-H235 WeakPolarHBondContact CE2-O 3.38Å; F208-H235 WeakPolarHBondContact CZ-O 3.25Å; F208-L248 HydrophobicContact CB-CD2 4.07Å; F208-L248 HydrophobicContact CD2-CD1 4.35Å; F208-I252 HydrophobicContact CB-CD1 4.38Å
209A96.4Very high95Very high6 Ų616.4 Ų16.45%0.0511%0.107CC..Hα-helixtrans-57.7-43.2179.100000112.4L108 V205 I206 L211 G213 A214 L215L108-A209 HydrophobicContact CD2-CB 4.47Å; V205-A209 WeakPolarHBondContact O-CB 3.28Å; V205-A209 PolarHBondContact O-N 2.97Å; I206-A209 PolarHBondContact O-N 2.89Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 3.29Å; A209-G213 WeakPolarHBondContact O-CA 3.36Å; A209-G213 PolarHBondContact O-N 3.04Å; A209-A214 WeakPolarHBondContact CA-O 3.35Å; A209-L215 HydrophobicContact CB-CD2 4.32Å
210L96.7Very high93.7Very high2 Ų224.5 Ų24.51%0.0115%0.15CC..Hα-helixtrans-62.6-36.5176.8-68.1171.7000113L104 L108 L114 A119 I206 L207 F208L104-L210 HydrophobicContact CD1-CD2 4.06Å; L104-L210 HydrophobicContact CD2-CD1 4.26Å; L104-L210 HydrophobicContact CD2-CD2 3.93Å; L104-L210 HydrophobicContact CG-CD2 3.95Å; L108-L210 HydrophobicContact CD2-CD2 4.47Å; L114-L210 VanDerWaalsContact CB-O 3.32Å; L114-L210 WeakPolarHBondContact CB-O 3.31Å; L114-L210 HydrophobicContact CD1-CB 4.21Å; L114-L210 HydrophobicContact CD1-CD2 3.76Å; L114-L210 HydrophobicContact CD1-CG 4.46Å; L114-L210 HydrophobicContact CG-CD2 4.49Å; L114-L210 PolarHBondContact N-O 3.34Å; A119-L210 HydrophobicContact CB-CB 4.24Å; I206-L210 HydrophobicContact CG2-CD1 4.07Å; I206-L210 HydrophobicContact CG2-CG 4.41Å; I206-L210 VanDerWaalsContact O-CG 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.32Å; I206-L210 PolarHBondContact O-N 3.33Å; L207-L210 PolarHBondContact O-N 3.14Å; F208-L210 VanDerWaalsContact C-N 3.33Å; F208-L210 PolarHBondContact O-N 3.33Å
211L97.4Very high92.6Very high4 Ų427.9 Ų27.92%0.02117%0.168CC..Hα-helixtrans-81.9-33.8-177.8-68.9165.2000113.4P116 A119 L207 F208 A209 I240 C244 L248P116-L211 HydrophobicContact CB-CD2 4.17Å; P116-L211 HydrophobicContact CG-CD2 4.17Å; A119-L211 HydrophobicContact CB-CD2 3.73Å; A119-L211 HydrophobicContact CB-CG 4.18Å; L207-L211 HydrophobicContact CD1-CD1 3.87Å; L207-L211 HydrophobicContact CD1-CG 4.23Å; L207-L211 HydrophobicContact CG-CD1 3.92Å; L207-L211 WeakPolarHBondContact O-CD1 3.45Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.11Å; L207-L211 VanDerWaalsContact O-N 3.16Å; F208-L211 PolarHBondContact O-N 3.29Å; F208-L211 VanDerWaalsContact O-N 3.11Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 3.29Å; L211-I240 HydrophobicContact CB-CD1 4.37Å; L211-I240 HydrophobicContact CD1-CG2 4.47Å; L211-C244 WeakPolarHBondContact CD1-SG 3.21Å; L211-L248 HydrophobicContact CD1-CD1 4.07Å
212V95.1Very high91.3Very high31 Ų3130.2 Ų30.219%0.18818%0.181CC..Hα-helixtrans-101-35.4-170.8-179.70000112.6F208 A214 P237 F239 I240F208-V212 HydrophobicContact CD1-CB 4.21Å; F208-V212 HydrophobicContact CD1-CG2 4Å; F208-V212 HydrophobicContact CD2-CG2 4.26Å; F208-V212 HydrophobicContact CE1-CB 3.94Å; F208-V212 HydrophobicContact CE1-CG1 4.06Å; F208-V212 HydrophobicContact CE1-CG2 3.75Å; F208-V212 HydrophobicContact CE2-CG2 4.01Å; F208-V212 HydrophobicContact CG-CG2 4.26Å; F208-V212 HydrophobicContact CZ-CB 4.38Å; F208-V212 HydrophobicContact CZ-CG1 4.37Å; F208-V212 HydrophobicContact CZ-CG2 3.77Å; F208-V212 WeakPolarHBondContact O-CB 3.47Å; F208-V212 WeakPolarHBondContact O-CG2 3.42Å; F208-V212 PolarHBondContact O-N 3.29Å; V212-A214 HydrophobicContact CG1-CB 4.21Å; V212-P237 HydrophobicContact CG1-CG 4.34Å; V212-P237 HydrophobicContact CG2-CG 4.03Å; V212-F239 HydrophobicContact CG2-CE2 4.49Å; V212-F239 HydrophobicContact CG2-CZ 4.35Å; V212-I240 HydrophobicContact CG2-CD1 3.79Å
213G89.7Confident90.4Very high39 Ų3937.3 Ų37.340%0.40221%0.206SC..SBendtrans83.211.3-16900000114.2G112 A209G112-G213 WeakPolarHBondContact O-CA 3.41Å; A209-G213 WeakPolarHBondContact O-CA 3.36Å; A209-G213 PolarHBondContact O-N 3.04Å
214A89.3Confident89.6Confident53 Ų5341 Ų4144%0.43823%0.226SC..SBendtrans-148.4160.1176.800000109.6F208 A209 V212F208-A214 VanDerWaalsContact CD1-O 3.32Å; F208-A214 WeakPolarHBondContact CD1-O 3.29Å; F208-A214 WeakPolarHBondContact CE1-O 3.29Å; A209-A214 WeakPolarHBondContact CA-O 3.35Å; V212-A214 HydrophobicContact CG1-CB 4.21Å
215L92.6Very high88.8Confident41 Ų4141.1 Ų41.122%0.21523%0.227CC..  trans-76.7154.6178.7-68.7166.8000111.8H181 Y182 V205 A209 F217 D218H181-L215 HydrophobicContact CB-CD1 3.98Å; Y182-L215 HydrophobicContact CE1-CD2 3.79Å; V205-L215 HydrophobicContact CG1-CD2 3.99Å; A209-L215 HydrophobicContact CB-CD2 4.32Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 WeakPolarHBondContact CB-O 3.43Å; L215-D218 HydrophobicContact CB-CB 4.42Å
216P92.1Very high88.2Confident16 Ų1642.1 Ų42.110%0.10423%0.232CC..SBendtrans-72.7-28173.729.1-32.3000112.3V205 F208 F234 I252V205-P216 HydrophobicContact CB-CG 4.32Å; V205-P216 HydrophobicContact CG1-CG 3.96Å; V205-P216 HydrophobicContact CG2-CG 4.11Å; F208-P216 HydrophobicContact CB-CG 4.4Å; F208-P216 HydrophobicContact CD1-CB 3.8Å; F208-P216 HydrophobicContact CD1-CG 4.12Å; F208-P216 HydrophobicContact CD2-CB 4.26Å; F208-P216 HydrophobicContact CE1-CB 3.95Å; F208-P216 HydrophobicContact CE2-CB 4.41Å; F208-P216 HydrophobicContact CG-CB 3.95Å; F208-P216 HydrophobicContact CG-CG 4.27Å; F208-P216 HydrophobicContact CZ-CB 4.25Å; P216-F234 HydrophobicContact CB-CB 3.77Å; P216-F234 HydrophobicContact CB-CD2 3.96Å; P216-F234 HydrophobicContact CB-CG 3.87Å; P216-F234 VanDerWaalsContact O-CB 3.29Å; P216-F234 WeakPolarHBondContact O-CB 3.43Å; P216-I252 HydrophobicContact CB-CD1 4.43Å; P216-I252 HydrophobicContact CG-CD1 4.29Å
217F93.2Very high87.8Confident3 Ų345.6 Ų45.61%0.01325%0.248CC..SBendtrans-130.1125.7175.6-45.3-71.1000108.6W201 L215 L225 K228 V229 F234 I252W201-F217 AromaticContact CH2-CE2 3.93Å; W201-F217 HydrophobicContact CH2-CE2 3.93Å; W201-F217 HydrophobicContact CH2-CZ 4.05Å; W201-F217 HydrophobicContact CZ2-CD2 4.25Å; W201-F217 AromaticContact CZ2-CE2 3.46Å; W201-F217 HydrophobicContact CZ2-CE2 3.46Å; W201-F217 VanDerWaalsContact CZ2-CE2 3.46Å; W201-F217 HydrophobicContact CZ2-CZ 4.05Å; L215-F217 VanDerWaalsContact C-N 3.33Å; L215-F217 WeakPolarHBondContact CB-O 3.43Å; F217-L225 HydrophobicContact CB-CD1 4.14Å; F217-K228 HydrophobicContact CB-CB 4.45Å; F217-K228 HydrophobicContact CD1-CB 4.31Å; F217-V229 HydrophobicContact CB-CG2 3.64Å; F217-V229 HydrophobicContact CD2-CG2 3.92Å; F217-V229 HydrophobicContact CG-CG2 3.81Å; F217-F234 HydrophobicContact CD1-CB 4.37Å; F217-F234 HydrophobicContact CE1-CB 3.83Å; F217-F234 HydrophobicContact CE1-CD1 4.25Å; F217-F234 HydrophobicContact CE1-CG 4.5Å; F217-F234 HydrophobicContact CZ-CB 4.18Å; F217-F234 AromaticContact CZ-CD1 3.87Å; F217-F234 HydrophobicContact CZ-CD1 3.87Å; F217-F234 HydrophobicContact CZ-CG 4.39Å; F217-I252 HydrophobicContact CE2-CG2 3.61Å; F217-I252 HydrophobicContact CZ-CG2 3.67Å
218D85.4Confident87.4Confident90 Ų9049.3 Ų49.348%0.48126%0.264SS..  trans-157.5139.2-175.5-165.6-2.8000108.4L215 K228L215-D218 HydrophobicContact CB-CB 4.42Å; D218-K228 WeakPolarHBondContact O-CD 3.21Å; D218-K228 PolarHBondContact O-NZ 3.37Å
219D83.5Confident87.2Confident43 Ų4349 Ų4923%0.2326%0.263CS..  trans-163.9141.1173.3-156.8-86.4000110.1N221 N224 L225 K228D219-N221 PolarHBondContact O-N 2.92Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 PolarHBondContact OD1-N 3.22Å; D219-N224 HydrophobicContact CB-CB 3.92Å; D219-N224 VanDerWaalsContact OD1-CB 3.24Å; D219-N224 WeakPolarHBondContact OD1-CB 3.3Å; D219-N224 PolarHBondContact OD1-ND2 2.95Å; D219-L225 HydrophobicContact CB-CB 4.16Å; D219-K228 HydrophobicContact CB-CD 4.3Å; D219-K228 WeakPolarHBondContact OD2-CE 3.38Å; D219-K228 IonicContact OD2-NZ 2.94Å; D219-K228 PolarHBondContact OD2-NZ 3.16Å
220D71.4Confident87Confident171 Ų17150.4 Ų50.491%0.91427%0.268SS*.SBendtrans-60.1-24.2175-64.9-56.6000112.4
221N74.4Confident87Confident71 Ų7156.2 Ų56.238%0.3830%0.298SS..SBendtrans-104.9120.4177.2-171.6-82.5000112.2D219 R223 N224 L225D219-N221 PolarHBondContact O-N 2.92Å; D219-N221 VanDerWaalsContact O-N 3.15Å; D219-N221 PolarHBondContact OD1-N 3.22Å; N221-R223 VanDerWaalsContact C-N 3.27Å; N221-R223 PolarHBondContact O-N 3.43Å; N221-R223 VanDerWaalsContact O-N 3.14Å; N221-R223 WeakPolarHBondContact OD1-CB 3.5Å; N221-R223 PolarHBondContact OD1-N 2.93Å; N221-N224 HydrophobicContact CB-CB 4.28Å; N221-N224 WeakPolarHBondContact O-CB 3.48Å; N221-N224 PolarHBondContact O-N 3.03Å; N221-N224 PolarHBondContact OD1-N 3.43Å; N221-L225 PolarHBondContact O-N 3.29Å
222L71.8Confident86.9Confident49 Ų4956.6 Ų56.626%0.25730%0.303SS..Hα-helixtrans-52.5-38.5179.6178.460.3000113.5P180 L225 L226 F762P180-L222 HydrophobicContact CB-CD1 4.03Å; P180-L222 HydrophobicContact CG-CD1 4.08Å; L222-L225 HydrophobicContact CD1-CD2 4.18Å; L222-L225 WeakPolarHBondContact O-CB 3.35Å; L222-L225 PolarHBondContact O-N 2.65Å; L222-L226 HydrophobicContact CD1-CD1 4.45Å; L222-L226 HydrophobicContact CD1-CD2 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.11Å; L222-L226 HydrophobicContact CG-CD1 4.43Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 2.58Å; L222-F762 HydrophobicContact CD2-CE2 3.98Å
223R79.3Confident86.8Confident154 Ų15460.9 Ų60.958%0.58133%0.329SS*.Hα-helixtrans-65-45.5179-169.8179.9-176.8171.13.6111.1N221 L225 L226 E227N221-R223 VanDerWaalsContact C-N 3.27Å; N221-R223 PolarHBondContact O-N 3.43Å; N221-R223 VanDerWaalsContact O-N 3.14Å; N221-R223 WeakPolarHBondContact OD1-CB 3.5Å; N221-R223 PolarHBondContact OD1-N 2.93Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 2.88Å; R223-L226 PolarHBondContact O-N 2.79Å; R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.28Å
224N80.7Confident87.1Confident80 Ų8060.8 Ų60.843%0.42832%0.318SS..Hα-helixtrans-61.9-39.9176-65.5-14.4000111.8D219 N221 E227 K228D219-N224 HydrophobicContact CB-CB 3.92Å; D219-N224 VanDerWaalsContact OD1-CB 3.24Å; D219-N224 WeakPolarHBondContact OD1-CB 3.3Å; D219-N224 PolarHBondContact OD1-ND2 2.95Å; N221-N224 HydrophobicContact CB-CB 4.28Å; N221-N224 WeakPolarHBondContact O-CB 3.48Å; N221-N224 PolarHBondContact O-N 3.03Å; N221-N224 PolarHBondContact OD1-N 3.43Å; N224-E227 PolarHBondContact O-N 2.68Å; N224-K228 WeakPolarHBondContact O-CG 3.3Å; N224-K228 PolarHBondContact O-N 3.13Å
225L83.1Confident87.5Confident1 Ų164.8 Ų64.81%0.00533%0.327CS..Hα-helixtrans-58.7-49.4173.717366.9000111P180 H181 F217 D219 N221 L222 R223 E227 K228 V229P180-L225 HydrophobicContact CB-CD2 4.07Å; H181-L225 VanDerWaalsContact CE1-CD2 3.46Å; H181-L225 WeakPolarHBondContact CE1-CD2 3.48Å; H181-L225 VanDerWaalsContact NE2-CD2 3.32Å; H181-L225 WeakPolarHBondContact NE2-CD2 3.32Å; F217-L225 HydrophobicContact CB-CD1 4.14Å; D219-L225 HydrophobicContact CB-CB 4.16Å; N221-L225 PolarHBondContact O-N 3.29Å; L222-L225 HydrophobicContact CD1-CD2 4.18Å; L222-L225 WeakPolarHBondContact O-CB 3.35Å; L222-L225 PolarHBondContact O-N 2.65Å; R223-L225 VanDerWaalsContact C-N 3.32Å; R223-L225 PolarHBondContact O-N 2.88Å; L225-E227 VanDerWaalsContact C-N 3.32Å; L225-E227 PolarHBondContact O-N 3.02Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.07Å; L225-V229 HydrophobicContact CD1-CG2 4.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.31Å; L225-V229 PolarHBondContact O-N 2.85Å
226L84.1Confident87.7Confident22 Ų2264 Ų6412%0.11532%0.322CS..Hα-helixtrans-62-38.3178.5-63.4-177.5000111.8P180 I188 L222 R223 V229 K230P180-L226 HydrophobicContact CB-CD2 4.27Å; I188-L226 HydrophobicContact CB-CD2 4.49Å; I188-L226 HydrophobicContact CD1-CD2 3.81Å; I188-L226 HydrophobicContact CG1-CD2 3.9Å; I188-L226 HydrophobicContact CG2-CB 4.1Å; I188-L226 HydrophobicContact CG2-CD1 4.44Å; I188-L226 HydrophobicContact CG2-CD2 3.8Å; I188-L226 HydrophobicContact CG2-CG 4.31Å; L222-L226 HydrophobicContact CD1-CD1 4.45Å; L222-L226 HydrophobicContact CD1-CD2 4.24Å; L222-L226 HydrophobicContact CD1-CG 4.11Å; L222-L226 HydrophobicContact CG-CD1 4.43Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 2.58Å; R223-L226 PolarHBondContact O-N 2.79Å; L226-V229 PolarHBondContact O-N 3.37Å; L226-K230 WeakPolarHBondContact O-CB 3.44Å; L226-K230 WeakPolarHBondContact O-CD 3.19Å; L226-K230 VanDerWaalsContact O-CG 3.23Å; L226-K230 WeakPolarHBondContact O-CG 3.44Å; L226-K230 PolarHBondContact O-N 3.2Å
227E89.8Confident87.9Confident73 Ų7363.8 Ų63.834%0.34132%0.322SS..Hα-helixtrans-65.9-42172.5-59.5-39.2132.900112.8R223 N224 L225 V229 K230 L231R223-E227 WeakPolarHBondContact O-CG 3.48Å; R223-E227 PolarHBondContact O-N 3.28Å; N224-E227 PolarHBondContact O-N 2.68Å; L225-E227 VanDerWaalsContact C-N 3.32Å; L225-E227 PolarHBondContact O-N 3.02Å; E227-V229 VanDerWaalsContact C-N 3.33Å; E227-V229 PolarHBondContact O-N 3.06Å; E227-K230 PolarHBondContact O-N 3.01Å; E227-K230 IonicContact OE1-NZ 2.79Å; E227-K230 PolarHBondContact OE1-NZ 2.87Å; E227-K230 WeakPolarHBondContact OE2-CD 3.25Å; E227-K230 IonicContact OE2-NZ 3.39Å; E227-K230 PolarHBondContact OE2-NZ 3.23Å; E227-L231 WeakPolarHBondContact O-CB 3.16Å; E227-L231 VanDerWaalsContact O-CG 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.02Å; E227-L231 PolarHBondContact O-N 2.99Å
228K91.5Very high88Confident79 Ų7972.1 Ų72.134%0.34336%0.36SS..Hα-helixtrans-58.4-44.5174.4-75.9172.8179.7177.50111.7F217 D218 D219 N224 L225 L231 G232F217-K228 HydrophobicContact CB-CB 4.45Å; F217-K228 HydrophobicContact CD1-CB 4.31Å; D218-K228 WeakPolarHBondContact O-CD 3.21Å; D218-K228 PolarHBondContact O-NZ 3.37Å; D219-K228 HydrophobicContact CB-CD 4.3Å; D219-K228 WeakPolarHBondContact OD2-CE 3.38Å; D219-K228 IonicContact OD2-NZ 2.94Å; D219-K228 PolarHBondContact OD2-NZ 3.16Å; N224-K228 WeakPolarHBondContact O-CG 3.3Å; N224-K228 PolarHBondContact O-N 3.13Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.07Å; K228-L231 PolarHBondContact O-N 3.12Å; K228-G232 PolarHBondContact O-N 3.43Å
229V92.8Very high88.5Confident0 Ų072.8 Ų72.80%036%0.359CS..Hα-helixtrans-66.1-46.3177.2176.70000111.1P185 I188 W201 F217 L225 L226 E227 L231 G232P185-V229 HydrophobicContact CG-CG1 4.32Å; P185-V229 WeakPolarHBondContact CG-O 3.35Å; I188-V229 HydrophobicContact CD1-CB 3.85Å; I188-V229 HydrophobicContact CD1-CG1 3.37Å; I188-V229 HydrophobicContact CD1-CG2 4.39Å; W201-V229 HydrophobicContact CZ2-CG1 3.91Å; F217-V229 HydrophobicContact CB-CG2 3.64Å; F217-V229 HydrophobicContact CD2-CG2 3.92Å; F217-V229 HydrophobicContact CG-CG2 3.81Å; L225-V229 HydrophobicContact CD1-CG2 4.27Å; L225-V229 WeakPolarHBondContact O-CG2 3.31Å; L225-V229 PolarHBondContact O-N 2.85Å; L226-V229 PolarHBondContact O-N 3.37Å; E227-V229 VanDerWaalsContact C-N 3.33Å; E227-V229 PolarHBondContact O-N 3.06Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.28Å; V229-G232 PolarHBondContact O-N 3.47Å
230K92.4Very high89.2Confident37 Ų3770.9 Ų70.916%0.16135%0.348CS..Hα-helixtrans-56-40.5175.7-76.3164.2176.9179.60112.8I188 R189 L226 E227I188-K230 HydrophobicContact CG2-CG 4.31Å; R189-K230 HydrophobicContact CG-CG 4.41Å; L226-K230 WeakPolarHBondContact O-CB 3.44Å; L226-K230 WeakPolarHBondContact O-CD 3.19Å; L226-K230 VanDerWaalsContact O-CG 3.23Å; L226-K230 WeakPolarHBondContact O-CG 3.44Å; L226-K230 PolarHBondContact O-N 3.2Å; E227-K230 PolarHBondContact O-N 3.01Å; E227-K230 IonicContact OE1-NZ 2.79Å; E227-K230 PolarHBondContact OE1-NZ 2.87Å; E227-K230 WeakPolarHBondContact OE2-CD 3.25Å; E227-K230 IonicContact OE2-NZ 3.39Å; E227-K230 PolarHBondContact OE2-NZ 3.23Å
231L96.4Very high90.4Very high123 Ų12364.6 Ų64.664%0.64432%0.317SS*.Hα-helixtrans-72.6-28.3177.8-71.4168.7000112.6E227 K228 V229 V233E227-L231 WeakPolarHBondContact O-CB 3.16Å; E227-L231 VanDerWaalsContact O-CG 3.27Å; E227-L231 WeakPolarHBondContact O-CG 3.02Å; E227-L231 PolarHBondContact O-N 2.99Å; K228-L231 PolarHBondContact O-N 3.12Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.28Å; L231-V233 PolarHBondContact O-N 3.17Å; L231-V233 VanDerWaalsContact O-N 3.1Å
232G95.2Very high91.5Very high12 Ų1266.1 Ų66.112%0.12433%0.331CS..  trans66.56.2179.800000115.5K228 V229 F234K228-G232 PolarHBondContact O-N 3.43Å; V229-G232 PolarHBondContact O-N 3.47Å; G232-F234 WeakPolarHBondContact O-CD1 3.3Å; G232-F234 PolarHBondContact O-N 2.93Å
233V94.6Very high92.6Very high122 Ų12266.2 Ų66.274%0.73933%0.332SS*.  trans-84.6106.4-178.5-177.60000110.1L231L231-V233 PolarHBondContact O-N 3.17Å; L231-V233 VanDerWaalsContact O-N 3.1Å
234F96.3Very high93.5Very high36 Ų3658.9 Ų58.916%0.15830%0.304CS..  trans-120153.6174.566.8-81.6000112F208 P216 F217 G232 M236 I252F208-F234 AromaticContact CD2-CD2 3.92Å; F208-F234 HydrophobicContact CD2-CD2 3.92Å; F208-F234 AromaticContact CD2-CE2 3.76Å; F208-F234 HydrophobicContact CD2-CE2 3.76Å; F208-F234 AromaticContact CE2-CD2 3.51Å; F208-F234 HydrophobicContact CE2-CD2 3.51Å; F208-F234 AromaticContact CE2-CE2 3.7Å; F208-F234 HydrophobicContact CE2-CE2 3.7Å; F208-F234 HydrophobicContact CZ-CD2 4.18Å; P216-F234 HydrophobicContact CB-CB 3.77Å; P216-F234 HydrophobicContact CB-CD2 3.96Å; P216-F234 HydrophobicContact CB-CG 3.87Å; P216-F234 VanDerWaalsContact O-CB 3.29Å; P216-F234 WeakPolarHBondContact O-CB 3.43Å; F217-F234 HydrophobicContact CD1-CB 4.37Å; F217-F234 HydrophobicContact CE1-CB 3.83Å; F217-F234 HydrophobicContact CE1-CD1 4.25Å; F217-F234 HydrophobicContact CE1-CG 4.5Å; F217-F234 HydrophobicContact CZ-CB 4.18Å; F217-F234 AromaticContact CZ-CD1 3.87Å; F217-F234 HydrophobicContact CZ-CD1 3.87Å; F217-F234 HydrophobicContact CZ-CG 4.39Å; G232-F234 WeakPolarHBondContact O-CD1 3.3Å; G232-F234 PolarHBondContact O-N 2.93Å; F234-M236 HydrophobicContact CE2-CE 3.48Å; F234-M236 VanDerWaalsContact CE2-CE 3.48Å; F234-M236 HydrophobicContact CE2-SD 4.27Å; F234-M236 HydrophobicContact CZ-CE 3.71Å; F234-I252 HydrophobicContact CD1-CG2 4.01Å; F234-I252 HydrophobicContact CE1-CB 3.74Å; F234-I252 HydrophobicContact CE1-CD1 4.09Å; F234-I252 HydrophobicContact CE1-CG2 3.7Å; F234-I252 HydrophobicContact CE2-CD1 4.28Å; F234-I252 HydrophobicContact CZ-CB 4.15Å; F234-I252 HydrophobicContact CZ-CD1 3.86Å; F234-I252 HydrophobicContact CZ-CG2 4.47Å
235H96.3Very high94.4Very high137 Ų13756.4 Ų56.463%0.63429%0.29SS*.  trans-78.6129.6175.7177.977.9000110.7F208 P237F208-H235 WeakPolarHBondContact CE2-O 3.38Å; F208-H235 WeakPolarHBondContact CZ-O 3.25Å; H235-P237 WeakPolarHBondContact O-CD 3.38Å
236M97.4Very high95.1Very high24 Ų2461 Ų6112%0.11831%0.314CS..  trans-103.1106.4178-174.469.575.600110.6F234 I240 Q245 L248 R249F234-M236 HydrophobicContact CE2-CE 3.48Å; F234-M236 VanDerWaalsContact CE2-CE 3.48Å; F234-M236 HydrophobicContact CE2-SD 4.27Å; F234-M236 HydrophobicContact CZ-CE 3.71Å; M236-I240 HydrophobicContact SD-CD1 3.92Å; M236-I240 HydrophobicContact SD-CG2 4.5Å; M236-Q245 HydrophobicContact CE-CB 4.07Å; M236-Q245 HydrophobicContact CG-CB 4.06Å; M236-Q245 HydrophobicContact CG-CG 3.66Å; M236-Q245 HydrophobicContact SD-CB 3.99Å; M236-Q245 HydrophobicContact SD-CG 3.78Å; M236-L248 HydrophobicContact CE-CB 3.75Å; M236-L248 HydrophobicContact CE-CD1 4.2Å; M236-L248 HydrophobicContact SD-CD1 4.03Å; M236-R249 HydrophobicContact CE-CG 4.13Å
237P95.7Very high95.8Very high13 Ų1360 Ų608%0.08431%0.309CS..  trans-67.2137.6-177.2-22.334.3000113.4V212 H235 F239 I240V212-P237 HydrophobicContact CG1-CG 4.34Å; V212-P237 HydrophobicContact CG2-CG 4.03Å; H235-P237 WeakPolarHBondContact O-CD 3.38Å; P237-F239 HydrophobicContact CB-CD1 3.71Å; P237-F239 HydrophobicContact CB-CE1 3.35Å; P237-F239 HydrophobicContact CB-CE2 4.22Å; P237-F239 HydrophobicContact CB-CG 4.29Å; P237-F239 HydrophobicContact CB-CZ 3.63Å; P237-F239 HydrophobicContact CG-CE1 4.08Å; P237-F239 HydrophobicContact CG-CZ 3.99Å; P237-F239 PolarHBondContact O-N 3.25Å; P237-I240 PolarHBondContact O-N 3.42Å
238H95.6Very high96.2Very high177 Ų17756.5 Ų56.582%0.81929%0.293SS*.THydrogen-bonded Turntrans-60.2-17.8-177.8-55.8-61.9000115.2I240H238-I240 VanDerWaalsContact C-N 3.29Å
239F96.4Very high96.5Very high105 Ų10558.4 Ų58.446%0.46130%0.298SS..THydrogen-bonded Turntrans-78.3-9.8176.563.5-108.2000113.8V212 P237V212-F239 HydrophobicContact CG2-CE2 4.49Å; V212-F239 HydrophobicContact CG2-CZ 4.35Å; P237-F239 HydrophobicContact CB-CD1 3.71Å; P237-F239 HydrophobicContact CB-CE1 3.35Å; P237-F239 HydrophobicContact CB-CE2 4.22Å; P237-F239 HydrophobicContact CB-CG 4.29Å; P237-F239 HydrophobicContact CB-CZ 3.63Å; P237-F239 HydrophobicContact CG-CE1 4.08Å; P237-F239 HydrophobicContact CG-CZ 3.99Å; P237-F239 PolarHBondContact O-N 3.25Å
240I97.8Very high96.8Very high2 Ų259.3 Ų59.31%0.0131%0.307CS..SBendtrans-78126.1173.2-61-175.2000108.4L211 V212 M236 P237 H238 C244 Q245 L248L211-I240 HydrophobicContact CB-CD1 4.37Å; L211-I240 HydrophobicContact CD1-CG2 4.47Å; V212-I240 HydrophobicContact CG2-CD1 3.79Å; M236-I240 HydrophobicContact SD-CD1 3.92Å; M236-I240 HydrophobicContact SD-CG2 4.5Å; P237-I240 PolarHBondContact O-N 3.42Å; H238-I240 VanDerWaalsContact C-N 3.29Å; I240-C244 HydrophobicContact CG2-CB 3.75Å; I240-Q245 HydrophobicContact CB-CG 3.94Å; I240-Q245 HydrophobicContact CG2-CG 3.68Å; I240-Q245 WeakPolarHBondContact O-CG 3.25Å; I240-Q245 PolarHBondContact O-NE2 3.11Å; I240-L248 HydrophobicContact CD1-CD1 4.08Å; I240-L248 HydrophobicContact CG2-CD1 4.17Å
241P96.5Very high97.1Very high39 Ų3957.5 Ų57.525%0.25330%0.299SS..  trans-53.4139.8178.1-30.338000113.1P116 D243 C244 Q245P116-P241 HydrophobicContact CB-CG 4.21Å; P116-P241 HydrophobicContact CG-CG 3.96Å; P241-D243 VanDerWaalsContact C-N 3.27Å; P241-D243 WeakPolarHBondContact CB-OD1 3.33Å; P241-D243 PolarHBondContact O-N 3.35Å; P241-C244 HydrophobicContact CB-CB 4.14Å; P241-C244 CarbonylContact O-C 3.57Å; P241-C244 WeakPolarHBondContact O-CA 3.22Å; P241-C244 VanDerWaalsContact O-CB 3.25Å; P241-C244 WeakPolarHBondContact O-CB 3.4Å; P241-C244 PolarHBondContact O-N 2.82Å; P241-Q245 WeakPolarHBondContact O-CG 3.4Å; P241-Q245 PolarHBondContact O-N 2.82Å
242P97.5Very high97.2Very high103 Ų10352 Ų5267%0.66927%0.27SS*.Hα-helixtrans-58.2-33.2-172.3-2835.9000115.2Q245 N246P242-Q245 PolarHBondContact O-N 3.38Å; P242-N246 PolarHBondContact O-N 3.36Å
243D96.1Very high97.3Very high51 Ų5154.5 Ų54.527%0.27328%0.278SS..Hα-helixtrans-66.2-44.1172.562.5-28.4000111.5P241 Q245 N246 L247 H268 W270P241-D243 VanDerWaalsContact C-N 3.27Å; P241-D243 WeakPolarHBondContact CB-OD1 3.33Å; P241-D243 PolarHBondContact O-N 3.35Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.02Å; D243-N246 WeakPolarHBondContact O-CB 3.1Å; D243-N246 PolarHBondContact O-N 2.93Å; D243-N246 VanDerWaalsContact O-N 3.14Å; D243-L247 PolarHBondContact O-N 2.86Å; D243-L247 VanDerWaalsContact O-N 3.07Å; D243-H268 PolarHBondContact O-CE1 3.44Å; D243-W270 HydrophobicContact CB-CB 4.21Å; D243-W270 WeakPolarHBondContact OD2-CA 3.48Å; D243-W270 WeakPolarHBondContact OD2-CB 3.26Å; D243-W270 VanDerWaalsContact OD2-CD1 3.26Å
244C97.9Very high97.5Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-62.3-37.2172.5-1630000112.3L211 I240 P241 N246 L247 L248 W270L211-C244 WeakPolarHBondContact CD1-SG 3.21Å; I240-C244 HydrophobicContact CG2-CB 3.75Å; P241-C244 HydrophobicContact CB-CB 4.14Å; P241-C244 CarbonylContact O-C 3.57Å; P241-C244 WeakPolarHBondContact O-CA 3.22Å; P241-C244 VanDerWaalsContact O-CB 3.25Å; P241-C244 WeakPolarHBondContact O-CB 3.4Å; P241-C244 PolarHBondContact O-N 2.82Å; C244-N246 VanDerWaalsContact C-N 3.32Å; C244-N246 PolarHBondContact O-N 3.5Å; C244-L247 PolarHBondContact O-N 2.94Å; C244-L248 WeakPolarHBondContact O-CB 3.46Å; C244-L248 WeakPolarHBondContact O-CG 3.12Å; C244-L248 PolarHBondContact O-N 3.21Å; C244-W270 VanDerWaalsContact CB-CD1 3.5Å; C244-W270 HydrophobicContact CB-CD2 4.22Å; C244-W270 HydrophobicContact CB-CG 3.92Å; C244-W270 VanDerWaalsContact SG-CE2 3.51Å
245Q98.3Very high97.6Very high29 Ų2951.5 Ų51.514%0.13626%0.261CS..Hα-helixtrans-66.5-33173.5-56.4-176.418.800112.5M236 I240 P241 P242 D243 R249M236-Q245 HydrophobicContact CE-CB 4.07Å; M236-Q245 HydrophobicContact CG-CB 4.06Å; M236-Q245 HydrophobicContact CG-CG 3.66Å; M236-Q245 HydrophobicContact SD-CB 3.99Å; M236-Q245 HydrophobicContact SD-CG 3.78Å; I240-Q245 HydrophobicContact CB-CG 3.94Å; I240-Q245 HydrophobicContact CG2-CG 3.68Å; I240-Q245 WeakPolarHBondContact O-CG 3.25Å; I240-Q245 PolarHBondContact O-NE2 3.11Å; P241-Q245 WeakPolarHBondContact O-CG 3.4Å; P241-Q245 PolarHBondContact O-N 2.82Å; P242-Q245 PolarHBondContact O-N 3.38Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.02Å; Q245-R249 VanDerWaalsContact CB-NH1 3.27Å; Q245-R249 VanDerWaalsContact O-CG 3.3Å; Q245-R249 WeakPolarHBondContact O-CG 3.22Å; Q245-R249 PolarHBondContact O-N 3.3Å; Q245-R249 VanDerWaalsContact O-N 3.1Å; Q245-R249 PolarHBondContact O-NH1 2.88Å
246N98.1Very high97.6Very high97 Ų9746.4 Ų46.452%0.51924%0.243SC..Hα-helixtrans-67.2-47.3175.7-173.6-101.2000110.8P242 D243 C244 L248 R249 G250 H268P242-N246 PolarHBondContact O-N 3.36Å; D243-N246 WeakPolarHBondContact O-CB 3.1Å; D243-N246 PolarHBondContact O-N 2.93Å; D243-N246 VanDerWaalsContact O-N 3.14Å; C244-N246 VanDerWaalsContact C-N 3.32Å; C244-N246 PolarHBondContact O-N 3.5Å; N246-L248 PolarHBondContact O-N 2.94Å; N246-R249 PolarHBondContact O-N 3.34Å; N246-G250 PolarHBondContact O-N 2.9Å; N246-H268 PolarHBondContact OD1-NE2 3.44Å
247L98.5Very high97.5Very high0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-55.1-50.8173.2179.659000111.9F123 L207 D243 C244 R249 G250 M251 L260 I265 H268 W270F123-L247 HydrophobicContact CE1-CD2 4.11Å; F123-L247 HydrophobicContact CZ-CD2 4.48Å; L207-L247 HydrophobicContact CD2-CD2 3.98Å; L207-L247 HydrophobicContact CD2-CG 4.48Å; D243-L247 PolarHBondContact O-N 2.86Å; D243-L247 VanDerWaalsContact O-N 3.07Å; C244-L247 PolarHBondContact O-N 2.94Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 3.36Å; L247-G250 PolarHBondContact O-N 3.24Å; L247-M251 HydrophobicContact CD1-CG 4.04Å; L247-M251 HydrophobicContact CD1-SD 3.67Å; L247-M251 HydrophobicContact CD2-SD 4.45Å; L247-M251 HydrophobicContact CG-CG 4.48Å; L247-M251 HydrophobicContact CG-SD 3.77Å; L247-M251 VanDerWaalsContact O-CG 3.31Å; L247-M251 WeakPolarHBondContact O-CG 3.47Å; L247-M251 PolarHBondContact O-N 3.14Å; L247-L260 HydrophobicContact CD1-CD1 4Å; L247-I265 HydrophobicContact CD1-CB 4.41Å; L247-I265 HydrophobicContact CD1-CG1 4.03Å; L247-I265 HydrophobicContact CD1-CG2 4.16Å; L247-H268 HydrophobicContact CD1-CB 4.14Å; L247-W270 HydrophobicContact CD2-CD2 4.34Å; L247-W270 HydrophobicContact CD2-CE3 3.52Å; L247-W270 HydrophobicContact CD2-CZ3 4.1Å
248L98.8Very high97.6Very high0 Ų055.6 Ų55.60%030%0.297CS..Hα-helixtrans-60-40.3179.6-77.1169.5000112.9G204 L207 F208 L211 M236 I240 C244 N246 M251 I252G204-L248 WeakPolarHBondContact O-CD2 3.11Å; L207-L248 HydrophobicContact CB-CD2 4Å; L207-L248 HydrophobicContact CD2-CD2 3.97Å; L207-L248 HydrophobicContact CD2-CG 4.36Å; L207-L248 HydrophobicContact CG-CD2 3.9Å; F208-L248 HydrophobicContact CB-CD2 4.07Å; F208-L248 HydrophobicContact CD2-CD1 4.35Å; L211-L248 HydrophobicContact CD1-CD1 4.07Å; M236-L248 HydrophobicContact CE-CB 3.75Å; M236-L248 HydrophobicContact CE-CD1 4.2Å; M236-L248 HydrophobicContact SD-CD1 4.03Å; I240-L248 HydrophobicContact CD1-CD1 4.08Å; I240-L248 HydrophobicContact CG2-CD1 4.17Å; C244-L248 WeakPolarHBondContact O-CB 3.46Å; C244-L248 WeakPolarHBondContact O-CG 3.12Å; C244-L248 PolarHBondContact O-N 3.21Å; N246-L248 PolarHBondContact O-N 2.94Å; L248-M251 PolarHBondContact O-N 2.79Å; L248-I252 HydrophobicContact CD2-CD1 4.37Å; L248-I252 WeakPolarHBondContact O-CB 3.41Å; L248-I252 WeakPolarHBondContact O-CG1 3.3Å; L248-I252 PolarHBondContact O-N 3.17Å
249R98.5Very high97.8Very high120 Ų12047.2 Ų47.245%0.45326%0.258SS..Hα-helixtrans-64.7-41.6175-72.8177.1-166.7102.42.6112.1M236 Q245 N246 L247 M251 I252 E253M236-R249 HydrophobicContact CE-CG 4.13Å; Q245-R249 VanDerWaalsContact CB-NH1 3.27Å; Q245-R249 VanDerWaalsContact O-CG 3.3Å; Q245-R249 WeakPolarHBondContact O-CG 3.22Å; Q245-R249 PolarHBondContact O-N 3.3Å; Q245-R249 VanDerWaalsContact O-N 3.1Å; Q245-R249 PolarHBondContact O-NH1 2.88Å; N246-R249 PolarHBondContact O-N 3.34Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 3.36Å; R249-M251 VanDerWaalsContact C-N 3.32Å; R249-M251 PolarHBondContact O-N 3.27Å; R249-I252 CarbonylContact O-C 3.58Å; R249-E253 PolarHBondContact O-N 3.34Å
250G98.4Very high97.9Very high18 Ų1843.9 Ų43.919%0.18625%0.245CC..Hα-helixtrans-70.6-25.2178.200000114.2N246 L247 R259 L260N246-G250 PolarHBondContact O-N 2.9Å; L247-G250 PolarHBondContact O-N 3.24Å; G250-R259 CarbonylContact O-C 3.48Å; G250-R259 WeakPolarHBondContact O-CA 3.47Å; G250-L260 PolarHBondContact O-N 3.15Å
251M98.7Very high97.8Very high0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-85.8-42175.9-67.4178.375.700112.7F123 A200 C203 G204 L247 L248 R249 E253 R259 L260 I265F123-M251 HydrophobicContact CE2-CE 3.76Å; F123-M251 HydrophobicContact CE2-SD 4.26Å; F123-M251 HydrophobicContact CZ-CE 3.51Å; F123-M251 HydrophobicContact CZ-SD 3.67Å; A200-M251 WeakPolarHBondContact O-CE 3.32Å; C203-M251 HydrophobicContact CB-CE 3.52Å; G204-M251 VanDerWaalsContact N-CE 3.35Å; L247-M251 HydrophobicContact CD1-CG 4.04Å; L247-M251 HydrophobicContact CD1-SD 3.67Å; L247-M251 HydrophobicContact CD2-SD 4.45Å; L247-M251 HydrophobicContact CG-CG 4.48Å; L247-M251 HydrophobicContact CG-SD 3.77Å; L247-M251 VanDerWaalsContact O-CG 3.31Å; L247-M251 WeakPolarHBondContact O-CG 3.47Å; L247-M251 PolarHBondContact O-N 3.14Å; L248-M251 PolarHBondContact O-N 2.79Å; R249-M251 VanDerWaalsContact C-N 3.32Å; R249-M251 PolarHBondContact O-N 3.27Å; M251-E253 PolarHBondContact O-N 2.84Å; M251-R259 WeakPolarHBondContact O-CD 3.45Å; M251-R259 VanDerWaalsContact O-CG 3.29Å; M251-R259 WeakPolarHBondContact O-CG 3.4Å; M251-L260 HydrophobicContact CG-CD1 4.33Å; M251-I265 HydrophobicContact CE-CD1 3.79Å; M251-I265 HydrophobicContact CE-CG1 4.46Å; M251-I265 HydrophobicContact CG-CD1 3.89Å; M251-I265 HydrophobicContact CG-CG1 4.03Å; M251-I265 HydrophobicContact SD-CD1 4.1Å; M251-I265 HydrophobicContact SD-CG1 4.17Å
252I98.5Very high97.7Very high7 Ų744.6 Ų44.64%0.03625%0.248CC..SBendtrans-93.852.2177.1-45.8175.3000108.9W201 F208 P216 F217 F234 L248 R249W201-I252 HydrophobicContact CD2-CG2 4.39Å; W201-I252 HydrophobicContact CE3-CB 4.5Å; W201-I252 HydrophobicContact CE3-CG2 4.1Å; W201-I252 HydrophobicContact CH2-CG2 3.53Å; W201-I252 HydrophobicContact CZ2-CG2 3.82Å; W201-I252 VanDerWaalsContact CZ3-C 3.47Å; W201-I252 HydrophobicContact CZ3-CB 4.37Å; W201-I252 HydrophobicContact CZ3-CG2 3.68Å; F208-I252 HydrophobicContact CB-CD1 4.38Å; P216-I252 HydrophobicContact CB-CD1 4.43Å; P216-I252 HydrophobicContact CG-CD1 4.29Å; F217-I252 HydrophobicContact CE2-CG2 3.61Å; F217-I252 HydrophobicContact CZ-CG2 3.67Å; F234-I252 HydrophobicContact CD1-CG2 4.01Å; F234-I252 HydrophobicContact CE1-CB 3.74Å; F234-I252 HydrophobicContact CE1-CD1 4.09Å; F234-I252 HydrophobicContact CE1-CG2 3.7Å; F234-I252 HydrophobicContact CE2-CD1 4.28Å; F234-I252 HydrophobicContact CZ-CB 4.15Å; F234-I252 HydrophobicContact CZ-CD1 3.86Å; F234-I252 HydrophobicContact CZ-CG2 4.47Å; L248-I252 HydrophobicContact CD2-CD1 4.37Å; L248-I252 WeakPolarHBondContact O-CB 3.41Å; L248-I252 WeakPolarHBondContact O-CG1 3.3Å; L248-I252 PolarHBondContact O-N 3.17Å; R249-I252 CarbonylContact O-C 3.58Å
253E98.4Very high97.5Very high64 Ų6444.7 Ų44.730%0.29924%0.24SC..  trans-100.9129.1176.5169.855.2-99.700109.2W201 R249 M251 D255 K258 R259W201-E253 WeakPolarHBondContact CZ3-O 3.29Å; R249-E253 PolarHBondContact O-N 3.34Å; M251-E253 PolarHBondContact O-N 2.84Å; E253-D255 HydrophobicContact CG-CB 4.38Å; E253-D255 WeakPolarHBondContact CG-O 3.36Å; E253-D255 PolarHBondContact OE1-N 2.66Å; E253-K258 HydrophobicContact CG-CB 3.8Å; E253-R259 HydrophobicContact CB-CB 4.07Å; E253-R259 HydrophobicContact CB-CG 4.25Å; E253-R259 HydrophobicContact CG-CB 4.33Å; E253-R259 PolarHBondContact O-NE 3.49Å; E253-R259 PolarHBondContact O-NH2 2.81Å; E253-R259 VanDerWaalsContact O-NH2 3.07Å
254V97.9Very high97.6Very high39 Ų3946.6 Ų46.624%0.23625%0.247CC..SBendtrans-68.9-37.7-175.3177.60000110.6P185 W201 A256 R259P185-V254 HydrophobicContact CB-CG1 4.18Å; P185-V254 HydrophobicContact CG-CG1 4.11Å; P185-V254 HydrophobicContact CG-CG2 4.38Å; W201-V254 HydrophobicContact CZ3-CG2 4.49Å; V254-A256 PolarHBondContact O-N 3.09Å; V254-R259 PolarHBondContact O-NH2 2.63Å
255D97.6Very high97.5Very high57 Ų5746.6 Ų46.631%0.30525%0.247SC..SBendtrans-75.4103.5174.6-176.5-28.8000110.7E253 A257 K258 R259E253-D255 HydrophobicContact CG-CB 4.38Å; E253-D255 WeakPolarHBondContact CG-O 3.36Å; E253-D255 PolarHBondContact OE1-N 2.66Å; D255-A257 PolarHBondContact O-N 3.21Å; D255-A257 VanDerWaalsContact O-N 3.12Å; D255-A257 WeakPolarHBondContact OD1-CA 3.38Å; D255-A257 VanDerWaalsContact OD1-CB 3.26Å; D255-A257 WeakPolarHBondContact OD1-CB 3.45Å; D255-A257 PolarHBondContact OD1-N 3.14Å; D255-K258 HydrophobicContact CB-CB 4.09Å; D255-K258 HydrophobicContact CB-CD 4.21Å; D255-K258 HydrophobicContact CB-CG 4.08Å; D255-K258 PolarHBondContact O-N 3.35Å; D255-K258 PolarHBondContact OD1-N 3.06Å; D255-K258 IonicContact OD2-NZ 2.65Å; D255-K258 PolarHBondContact OD2-NZ 3.23Å; D255-R259 PolarHBondContact O-N 3.25Å
256A96.6Very high97.3Very high30 Ų3047.1 Ų47.125%0.24825%0.25CC..THydrogen-bonded Turntrans-59-23.4-179.900000114.1K197 V254K197-A256 HydrophobicContact CB-CB 4.46Å; K197-A256 VanDerWaalsContact CD-O 3.26Å; K197-A256 WeakPolarHBondContact CD-O 3.44Å; K197-A256 VanDerWaalsContact CE-O 3.24Å; K197-A256 WeakPolarHBondContact CE-O 3.27Å; K197-A256 PolarHBondContact NZ-O 3.37Å; V254-A256 PolarHBondContact O-N 3.09Å
257A96.4Very high97.1Very high86 Ų8648.8 Ų48.871%0.71125%0.252SS*.THydrogen-bonded Turntrans-73.1-43.1172.600000111.2K197 D255K197-A257 PolarHBondContact NZ-O 2.6Å; D255-A257 PolarHBondContact O-N 3.21Å; D255-A257 VanDerWaalsContact O-N 3.12Å; D255-A257 WeakPolarHBondContact OD1-CA 3.38Å; D255-A257 VanDerWaalsContact OD1-CB 3.26Å; D255-A257 WeakPolarHBondContact OD1-CB 3.45Å; D255-A257 PolarHBondContact OD1-N 3.14Å
258K97.9Very high97Very high144 Ų14449.9 Ų49.963%0.62626%0.257SS*.THydrogen-bonded Turntrans-73-29176-64.1-172.3-172.883.30113.9E253 D255E253-K258 HydrophobicContact CG-CB 3.8Å; D255-K258 HydrophobicContact CB-CB 4.09Å; D255-K258 HydrophobicContact CB-CD 4.21Å; D255-K258 HydrophobicContact CB-CG 4.08Å; D255-K258 PolarHBondContact O-N 3.35Å; D255-K258 PolarHBondContact OD1-N 3.06Å; D255-K258 IonicContact OD2-NZ 2.65Å; D255-K258 PolarHBondContact OD2-NZ 3.23Å
259R98.5Very high96.8Very high1 Ų154.3 Ų54.30%0.00429%0.285CS..SBendtrans-56.2137.3-179.5-166.1-174.5-56.3149.28.4112.1E186 K197 G250 M251 E253 V254 D255E186-R259 IonicContact OE1-CZ 2.57Å; E186-R259 IonicContact OE1-NH1 3.7Å; E186-R259 PolarHBondContact OE1-NH1 3.2Å; E186-R259 IonicContact OE1-NH2 3.79Å; E186-R259 PolarHBondContact OE1-NH2 3.26Å; E186-R259 IonicContact OE2-CZ 3.88Å; E186-R259 IonicContact OE2-NH1 2.86Å; E186-R259 IonicContact OE2-NH2 2.86Å; E186-R259 PolarHBondContact OE2-NH2 3.12Å; K197-R259 PolarHBondContact NZ-O 3.22Å; K197-R259 WeakPolarHBondContact O-CD 3.32Å; K197-R259 PolarHBondContact O-NH1 3.2Å; G250-R259 CarbonylContact O-C 3.48Å; G250-R259 WeakPolarHBondContact O-CA 3.47Å; M251-R259 WeakPolarHBondContact O-CD 3.45Å; M251-R259 VanDerWaalsContact O-CG 3.29Å; M251-R259 WeakPolarHBondContact O-CG 3.4Å; E253-R259 HydrophobicContact CB-CB 4.07Å; E253-R259 HydrophobicContact CB-CG 4.25Å; E253-R259 HydrophobicContact CG-CB 4.33Å; E253-R259 PolarHBondContact O-NE 3.49Å; E253-R259 PolarHBondContact O-NH2 2.81Å; E253-R259 VanDerWaalsContact O-NH2 3.07Å; V254-R259 PolarHBondContact O-NH2 2.63Å; D255-R259 PolarHBondContact O-N 3.25Å
260L98.4Very high96.7Very high34 Ų3448.7 Ų48.718%0.17826%0.263CS..PPolyproline II helixtrans-61.7143.2-176.5-63.9172.3000112.9L247 G250 M251 Q264 I265L247-L260 HydrophobicContact CD1-CD1 4Å; G250-L260 PolarHBondContact O-N 3.15Å; M251-L260 HydrophobicContact CG-CD1 4.33Å; L260-Q264 HydrophobicContact CB-CB 4.4Å; L260-Q264 HydrophobicContact CD2-CB 4.02Å; L260-I265 HydrophobicContact CB-CD1 4.23Å; L260-I265 HydrophobicContact CB-CG1 3.9Å; L260-I265 HydrophobicContact CD1-CG1 4.27Å
261T96.9Very high96.5Very high48 Ų4848.7 Ų48.729%0.29426%0.258SS..PPolyproline II helixtrans-82.3162.5166.666.90000111.3E263 Q264 I265T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 2.93Å; T261-Q264 PolarHBondContact O-N 3Å; T261-Q264 VanDerWaalsContact O-N 3.11Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.31Å; T261-Q264 PolarHBondContact OG1-N 3.35Å; T261-Q264 PolarHBondContact OG1-OE1 2.87Å; T261-I265 WeakPolarHBondContact O-CD1 3.36Å; T261-I265 WeakPolarHBondContact O-CG1 3.5Å; T261-I265 PolarHBondContact O-N 3.07Å
262L94.6Very high96.1Very high8 Ų851.7 Ų51.74%0.04227%0.274CS..Hα-helixtrans-58.9-39.2175.6-60.6-164.8000112.1I127 L130 D131 H134 A200 Q264 I265 Q266I127-L262 HydrophobicContact CD1-CD2 3.94Å; L130-L262 HydrophobicContact CB-CD1 3.74Å; D131-L262 HydrophobicContact CB-CD1 4.23Å; H134-L262 VanDerWaalsContact ND1-CD1 3.31Å; H134-L262 WeakPolarHBondContact ND1-CD1 3.35Å; A200-L262 HydrophobicContact CB-CD2 4.25Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 3.34Å; L262-I265 HydrophobicContact CD2-CD1 3.97Å; L262-I265 WeakPolarHBondContact O-CB 3.46Å; L262-I265 PolarHBondContact O-N 2.81Å; L262-I265 VanDerWaalsContact O-N 3.17Å; L262-Q266 VanDerWaalsContact O-CG 3.31Å; L262-Q266 WeakPolarHBondContact O-CG 3.47Å; L262-Q266 PolarHBondContact O-N 2.95Å
263E93.3Very high95.5Very high105 Ų10554.2 Ų54.249%0.49130%0.296SS..Hα-helixtrans-58.2-42.8173.7-170.5-159.6176.100112.3T261 K267T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 2.93Å; E263-K267 HydrophobicContact CG-CD 4.39Å; E263-K267 VanDerWaalsContact O-CG 3.3Å; E263-K267 WeakPolarHBondContact O-CG 3.37Å; E263-K267 PolarHBondContact O-N 3.15Å; E263-K267 VanDerWaalsContact O-N 3.16Å; E263-K267 IonicContact OE1-NZ 3.32Å; E263-K267 PolarHBondContact OE1-NZ 2.86Å
264Q97Very high94Very high92 Ų9251.4 Ų51.443%0.4328%0.283SS..Hα-helixtrans-69.4-36.6176.1-69.5168.5-24.100111.8L260 T261 L262 K267 H268L260-Q264 HydrophobicContact CB-CB 4.4Å; L260-Q264 HydrophobicContact CD2-CB 4.02Å; T261-Q264 PolarHBondContact O-N 3Å; T261-Q264 VanDerWaalsContact O-N 3.11Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.31Å; T261-Q264 PolarHBondContact OG1-N 3.35Å; T261-Q264 PolarHBondContact OG1-OE1 2.87Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 3.34Å; Q264-K267 PolarHBondContact O-N 3.24Å; Q264-H268 PolarHBondContact O-N 3.38Å; Q264-H268 VanDerWaalsContact O-N 3.12Å
265I97Very high91.9Very high0 Ų057.1 Ų57.10%031%0.305CS..Hα-helixtrans-64.6-43.3175.1-69.9155.9000111F123 I127 A200 L247 M251 L260 T261 L262 K267 H268 Y271F123-I265 HydrophobicContact CE1-CG2 3.73Å; F123-I265 HydrophobicContact CZ-CG2 3.88Å; I127-I265 HydrophobicContact CD1-CG2 3.97Å; I127-I265 HydrophobicContact CG1-CG2 4.18Å; I127-I265 HydrophobicContact CG2-CG2 4.43Å; A200-I265 HydrophobicContact CB-CD1 4.34Å; L247-I265 HydrophobicContact CD1-CB 4.41Å; L247-I265 HydrophobicContact CD1-CG1 4.03Å; L247-I265 HydrophobicContact CD1-CG2 4.16Å; M251-I265 HydrophobicContact CE-CD1 3.79Å; M251-I265 HydrophobicContact CE-CG1 4.46Å; M251-I265 HydrophobicContact CG-CD1 3.89Å; M251-I265 HydrophobicContact CG-CG1 4.03Å; M251-I265 HydrophobicContact SD-CD1 4.1Å; M251-I265 HydrophobicContact SD-CG1 4.17Å; L260-I265 HydrophobicContact CB-CD1 4.23Å; L260-I265 HydrophobicContact CB-CG1 3.9Å; L260-I265 HydrophobicContact CD1-CG1 4.27Å; T261-I265 WeakPolarHBondContact O-CD1 3.36Å; T261-I265 WeakPolarHBondContact O-CG1 3.5Å; T261-I265 PolarHBondContact O-N 3.07Å; L262-I265 HydrophobicContact CD2-CD1 3.97Å; L262-I265 WeakPolarHBondContact O-CB 3.46Å; L262-I265 PolarHBondContact O-N 2.81Å; L262-I265 VanDerWaalsContact O-N 3.17Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 2.91Å; I265-H268 WeakPolarHBondContact O-CB 3.31Å; I265-H268 PolarHBondContact O-N 3.15Å; I265-H268 VanDerWaalsContact O-N 3.13Å; I265-Y271 HydrophobicContact CG2-CD2 4.4Å; I265-Y271 VanDerWaalsContact O-CB 3.29Å; I265-Y271 WeakPolarHBondContact O-CB 3.46Å
266Q93.8Very high89.9Confident40 Ų4062.5 Ų62.519%0.18733%0.334CS..Hα-helixtrans-62.9-36.7175.9-72.2169.8-21.100112.3I127 D131 L262 H268 Y271 L272I127-Q266 HydrophobicContact CG2-CG 3.82Å; D131-Q266 PolarHBondContact OD2-NE2 2.95Å; L262-Q266 VanDerWaalsContact O-CG 3.31Å; L262-Q266 WeakPolarHBondContact O-CG 3.47Å; L262-Q266 PolarHBondContact O-N 2.95Å; Q266-H268 VanDerWaalsContact C-N 3.27Å; Q266-H268 PolarHBondContact O-N 3.11Å; Q266-Y271 HydrophobicContact CB-CE1 4.21Å; Q266-Y271 HydrophobicContact CG-CE1 4.21Å; Q266-Y271 WeakPolarHBondContact O-CD1 3.24Å; Q266-L272 WeakPolarHBondContact O-CD2 3.37Å; Q266-L272 WeakPolarHBondContact O-CG 3.26Å
267K94.5Very high88.3Confident132 Ų13263.1 Ų63.157%0.57433%0.332SS*.THydrogen-bonded Turntrans-77.9-8.2176.1-68169.8-176.41800113.4E263 Q264 I265 L272E263-K267 HydrophobicContact CG-CD 4.39Å; E263-K267 VanDerWaalsContact O-CG 3.3Å; E263-K267 WeakPolarHBondContact O-CG 3.37Å; E263-K267 PolarHBondContact O-N 3.15Å; E263-K267 VanDerWaalsContact O-N 3.16Å; E263-K267 IonicContact OE1-NZ 3.32Å; E263-K267 PolarHBondContact OE1-NZ 2.86Å; Q264-K267 PolarHBondContact O-N 3.24Å; I265-K267 VanDerWaalsContact C-N 3.3Å; I265-K267 PolarHBondContact O-N 2.91Å; K267-L272 WeakPolarHBondContact O-CD1 3.44Å
268H96.2Very high86.4Confident22 Ų2264.8 Ų64.810%0.10234%0.335CS..SBendtrans-69.2140.4-175.9-171-82.7000112.4D243 N246 L247 Q264 I265 Q266 W270 Y271 L272D243-H268 PolarHBondContact O-CE1 3.44Å; N246-H268 PolarHBondContact OD1-NE2 3.44Å; L247-H268 HydrophobicContact CD1-CB 4.14Å; Q264-H268 PolarHBondContact O-N 3.38Å; Q264-H268 VanDerWaalsContact O-N 3.12Å; I265-H268 WeakPolarHBondContact O-CB 3.31Å; I265-H268 PolarHBondContact O-N 3.15Å; I265-H268 VanDerWaalsContact O-N 3.13Å; Q266-H268 VanDerWaalsContact C-N 3.27Å; Q266-H268 PolarHBondContact O-N 3.11Å; H268-W270 PolarHBondContact ND1-N 3.39Å; H268-W270 VanDerWaalsContact ND1-N 3.11Å; H268-W270 PolarHBondContact O-N 3.11Å; H268-Y271 WeakPolarHBondContact O-CB 3.29Å; H268-Y271 PolarHBondContact O-N 3.39Å; H268-L272 PolarHBondContact O-N 2.94Å
269T94.7Very high84.6Confident94 Ų9463.9 Ų63.958%0.57733%0.333SS*.Hα-helixtrans-51.9-49.8-177.251.20000113.1Y271 L272 A273T269-Y271 VanDerWaalsContact C-N 3.27Å; T269-Y271 PolarHBondContact O-N 3.29Å; T269-L272 PolarHBondContact O-N 2.93Å; T269-A273 WeakPolarHBondContact O-CB 3.47Å; T269-A273 PolarHBondContact O-N 3.05Å
270W95.3Very high82.9Confident1 Ų165.1 Ų65.10%0.00434%0.341CS..Hα-helixtrans-61.4-30.4177.6-174.786.1000113.8P116 R120 F123 L207 D243 C244 L247 H268P116-W270 HydrophobicContact CB-CZ2 4.48Å; P116-W270 VanDerWaalsContact O-CZ2 3.3Å; P116-W270 WeakPolarHBondContact O-CZ2 3.48Å; R120-W270 HydrophobicContact CB-CH2 3.61Å; R120-W270 HydrophobicContact CB-CZ2 3.85Å; R120-W270 HydrophobicContact CB-CZ3 4.13Å; R120-W270 HydrophobicContact CG-CH2 4.15Å; R120-W270 HydrophobicContact CG-CZ3 4.16Å; R120-W270 PolarHBondContact NE-O 3.02Å; R120-W270 PolarHBondContact NH2-O 3.38Å; F123-W270 HydrophobicContact CB-CZ3 4.5Å; F123-W270 AromaticContact CD1-CZ3 3.83Å; F123-W270 HydrophobicContact CD1-CZ3 3.83Å; F123-W270 HydrophobicContact CE1-CZ3 4.37Å; F123-W270 HydrophobicContact CG-CZ3 4.31Å; L207-W270 HydrophobicContact CD1-CH2 3.63Å; L207-W270 HydrophobicContact CD1-CZ2 4.46Å; L207-W270 HydrophobicContact CD1-CZ3 4.09Å; L207-W270 HydrophobicContact CD2-CH2 4.31Å; L207-W270 HydrophobicContact CD2-CZ3 4.03Å; D243-W270 HydrophobicContact CB-CB 4.21Å; D243-W270 WeakPolarHBondContact OD2-CA 3.48Å; D243-W270 WeakPolarHBondContact OD2-CB 3.26Å; D243-W270 VanDerWaalsContact OD2-CD1 3.26Å; C244-W270 VanDerWaalsContact CB-CD1 3.5Å; C244-W270 HydrophobicContact CB-CD2 4.22Å; C244-W270 HydrophobicContact CB-CG 3.92Å; C244-W270 VanDerWaalsContact SG-CE2 3.51Å; L247-W270 HydrophobicContact CD2-CD2 4.34Å; L247-W270 HydrophobicContact CD2-CE3 3.52Å; L247-W270 HydrophobicContact CD2-CZ3 4.1Å; H268-W270 PolarHBondContact ND1-N 3.39Å; H268-W270 VanDerWaalsContact ND1-N 3.11Å; H268-W270 PolarHBondContact O-N 3.11Å
271Y93.6Very high81Confident18 Ų1871.6 Ų71.67%0.07137%0.371CS..Hα-helixtrans-73.1-48.4176.7-173.2-87.6000110.2F123 R124 I127 I265 Q266 H268 T269 A273F123-Y271 AromaticContact CD1-CD2 3.91Å; F123-Y271 HydrophobicContact CD1-CD2 3.91Å; F123-Y271 HydrophobicContact CD1-CE2 4.18Å; F123-Y271 AromaticContact CE1-CD2 3.91Å; F123-Y271 HydrophobicContact CE1-CD2 3.91Å; F123-Y271 HydrophobicContact CE1-CE2 4.31Å; R124-Y271 HydrophobicContact CB-CE2 4.25Å; R124-Y271 HydrophobicContact CG-CD2 4.17Å; R124-Y271 HydrophobicContact CG-CE1 4.28Å; R124-Y271 HydrophobicContact CG-CE2 3.77Å; I127-Y271 HydrophobicContact CB-CE2 3.91Å; I127-Y271 HydrophobicContact CG1-CE2 4.15Å; I127-Y271 HydrophobicContact CG2-CE2 3.94Å; I265-Y271 HydrophobicContact CG2-CD2 4.4Å; I265-Y271 VanDerWaalsContact O-CB 3.29Å; I265-Y271 WeakPolarHBondContact O-CB 3.46Å; Q266-Y271 HydrophobicContact CB-CE1 4.21Å; Q266-Y271 HydrophobicContact CG-CE1 4.21Å; Q266-Y271 WeakPolarHBondContact O-CD1 3.24Å; H268-Y271 WeakPolarHBondContact O-CB 3.29Å; H268-Y271 PolarHBondContact O-N 3.39Å; T269-Y271 VanDerWaalsContact C-N 3.27Å; T269-Y271 PolarHBondContact O-N 3.29Å; Y271-A273 VanDerWaalsContact C-N 3.27Å; Y271-A273 PolarHBondContact O-N 3.46Å
272L90.6Very high79.4Confident64 Ų6473.7 Ų73.734%0.33538%0.377SS..Hα-helixtrans-69.4-17.3178.6-63.8177.5000114.1Q266 K267 H268 T269 G274 K275Q266-L272 WeakPolarHBondContact O-CD2 3.37Å; Q266-L272 WeakPolarHBondContact O-CG 3.26Å; K267-L272 WeakPolarHBondContact O-CD1 3.44Å; H268-L272 PolarHBondContact O-N 2.94Å; T269-L272 PolarHBondContact O-N 2.93Å; L272-G274 PolarHBondContact O-N 2.87Å; L272-K275 WeakPolarHBondContact O-CG 3.12Å; L272-K275 PolarHBondContact O-N 3.31Å
273A85.8Confident77.9Confident60 Ų6075 Ų7550%0.49639%0.387SS..THydrogen-bonded Turntrans-63.5-3176.100000114.3T269 Y271T269-A273 WeakPolarHBondContact O-CB 3.47Å; T269-A273 PolarHBondContact O-N 3.05Å; Y271-A273 VanDerWaalsContact C-N 3.27Å; Y271-A273 PolarHBondContact O-N 3.46Å
274G67Low76.3Confident4 Ų476.3 Ų76.34%0.04140%0.401CS..THydrogen-bonded Turntrans-88.315.7172.800000116R124 L272 N276 E277R124-G274 PolarHBondContact NH1-O 3.16Å; L272-G274 PolarHBondContact O-N 2.87Å; G274-N276 PolarHBondContact O-N 2.78Å; G274-E277 WeakPolarHBondContact O-CB 3.43Å; G274-E277 PolarHBondContact O-N 2.9Å
275K55.3Low74.4Confident159 Ų15976 Ų7669%0.69141%0.407SS*.THydrogen-bonded Turntrans-54.9-18-171.4-91176.3-179.6-172.30118L272L272-K275 WeakPolarHBondContact O-CG 3.12Å; L272-K275 PolarHBondContact O-N 3.31Å
276N55.2Low72.8Confident170 Ų17082.7 Ų82.791%0.90943%0.432SS*.THydrogen-bonded Turntrans-96.53.5174.7-65.85.1000113.2G274G274-N276 PolarHBondContact O-N 2.78Å
277E61.4Low71.2Confident43 Ų4390.8 Ų90.820%0.20147%0.467CS..SBendtrans-104.5131.9169.2-60.3175.9160.300107.8K117 R124 G274 E279K117-E277 WeakPolarHBondContact CE-OE1 3.46Å; K117-E277 WeakPolarHBondContact CG-OE1 3.49Å; K117-E277 IonicContact NZ-OE1 3.72Å; R124-E277 PolarHBondContact NH1-O 3.29Å; R124-E277 VanDerWaalsContact NH1-O 3.08Å; G274-E277 WeakPolarHBondContact O-CB 3.43Å; G274-E277 PolarHBondContact O-N 2.9Å; E277-E279 PolarHBondContact O-N 2.99Å
278P57.6Low69.9Low122 Ų12286 Ų8679%0.79245%0.448SS*.  trans-53.5134.6-175.523.1-34.1000110.5
279E59.9Low68.7Low124 Ų12487.8 Ų87.858%0.57946%0.463SS*.  trans-63.8139.1175.2-89173.5171.500110R124 E277 E281R124-E279 IonicContact NH2-OE1 3.74Å; R124-E279 PolarHBondContact NH2-OE1 3.33Å; E277-E279 PolarHBondContact O-N 2.99Å; E279-E281 PolarHBondContact O-N 3.08Å
280P62.6Low67.9Low27 Ų2785.4 Ų85.418%0.17545%0.447CS..  trans-59.7109165.6-1730.4000107.5R124 Q125 Q282R124-P280 HydrophobicContact CB-CG 4.13Å; Q125-P280 HydrophobicContact CG-CG 4.38Å; P280-Q282 PolarHBondContact O-N 3.15Å
281E59.8Low67.2Low170 Ų17091 Ų9179%0.79447%0.468SS*.  trans-58.8111.9177.5-69.1-177.816600108.8E279E279-E281 PolarHBondContact O-N 3.08Å
282Q62.6Low66.7Low93 Ų9395.2 Ų95.244%0.43549%0.489SS..PPolyproline II helixtrans-67.5131.8171.5-75.2-164.4-19.300108.9D131 P280 V284D131-Q282 PolarHBondContact OD2-NE2 3.18Å; P280-Q282 PolarHBondContact O-N 3.15Å; Q282-V284 PolarHBondContact O-N 2.97Å
283P63.5Low66.3Low36 Ų3692.5 Ų92.523%0.23448%0.476CS..PPolyproline II helixtrans-57.8128.9168.8-17.328.8000109.3H76 F132 P285H76-P283 HydrophobicContact CB-CG 4.3Å; H76-P283 WeakPolarHBondContact CD2-CD 3.39Å; F132-P283 HydrophobicContact CD2-CB 4.41Å; F132-P283 HydrophobicContact CD2-CG 4.17Å; F132-P283 HydrophobicContact CE2-CB 3.85Å; F132-P283 HydrophobicContact CE2-CG 3.97Å; P283-P285 WeakPolarHBondContact O-CD 3.25Å
284V58.2Low66Low131 Ų13193 Ų9379%0.79449%0.487SS*.PPolyproline II helixtrans-55.4122179-178.60000109.3Q282 R286Q282-V284 PolarHBondContact O-N 2.97Å; V284-R286 PolarHBondContact O-N 2.83Å; V284-R286 VanDerWaalsContact O-N 3.15Å
285P58.4Low66.8Low86 Ų8694.4 Ų94.456%0.55850%0.498SS*.PPolyproline II helixtrans-55.7120.3-178.7-28.736.1000111.7P283 K287P283-P285 WeakPolarHBondContact O-CD 3.25Å; P285-K287 PolarHBondContact O-N 3.13Å
286R62.6Low68.3Low141 Ų14190.2 Ų90.253%0.53249%0.487SS..  trans-74.1113.7-178.1-101-169.7164.191.91.5110.3V284 V288V284-R286 PolarHBondContact O-N 2.83Å; V284-R286 VanDerWaalsContact O-N 3.15Å; R286-V288 PolarHBondContact O-N 3.15Å
287K60.3Low69.8Low210 Ų21088.7 Ų88.791%0.91347%0.474SS*.  trans-75.8110.7167-63.5-174.4179.1-174.70109.1P285P285-K287 PolarHBondContact O-N 3.13Å
288V66.8Low70.9Confident30 Ų3091.9 Ų91.918%0.18249%0.489CS..  trans-97.7140.7173.11790000109.5R286 I290 F336 L337 D340R286-V288 PolarHBondContact O-N 3.15Å; V288-I290 PolarHBondContact O-N 2.7Å; V288-F336 HydrophobicContact CG1-CB 3.89Å; V288-L337 HydrophobicContact CG2-CD2 3.85Å; V288-D340 HydrophobicContact CG1-CB 3.95Å; V288-D340 HydrophobicContact CG2-CB 3.86Å
289S70.7Confident72.5Confident60 Ų6086.7 Ų86.742%0.4245%0.454SS..  trans-77107.2173.364.80000110.3R291S289-R291 PolarHBondContact OG-NE 3.28Å; S289-R291 VanDerWaalsContact OG-NE 3.1Å; S289-R291 PolarHBondContact OG-NH2 2.85Å
290I79.4Confident73.9Confident44 Ų4481.1 Ų81.123%0.22643%0.429CS..  trans-63.7146.7160-62.4178.7000108.4V288 D328 K332 M333 F336V288-I290 PolarHBondContact O-N 2.7Å; I290-D328 VanDerWaalsContact CG2-OD1 3.25Å; I290-D328 WeakPolarHBondContact CG2-OD1 3.44Å; I290-K332 HydrophobicContact CG2-CB 4.12Å; I290-K332 HydrophobicContact CG2-CD 4.3Å; I290-M333 HydrophobicContact CD1-CB 3.92Å; I290-M333 HydrophobicContact CD1-CE 3.77Å; I290-M333 HydrophobicContact CD1-SD 4Å; I290-M333 HydrophobicContact CG1-SD 4.35Å; I290-F336 HydrophobicContact CB-CD2 4.13Å; I290-F336 HydrophobicContact CG1-CD2 4.17Å; I290-F336 HydrophobicContact CG2-CD2 3.91Å; I290-F336 HydrophobicContact CG2-CE2 3.98Å
291R80.8Confident75.1Confident119 Ų11983.2 Ų83.245%0.44944%0.442SS..  trans-141.7157.9177.8-54.7-176-165.1170.39.3109.1S289 F336S289-R291 PolarHBondContact OG-NE 3.28Å; S289-R291 VanDerWaalsContact OG-NE 3.1Å; S289-R291 PolarHBondContact OG-NH2 2.85Å; R291-F336 HydrophobicContact CB-CE1 4.32Å; R291-F336 HydrophobicContact CB-CZ 3.95Å; R291-F336 WeakPolarHBondContact O-CE2 3.48Å; R291-F336 VanDerWaalsContact O-CZ 3.24Å; R291-F336 WeakPolarHBondContact O-CZ 3.06Å
292M82.3Confident76.4Confident106 Ų10676.8 Ų76.852%0.52241%0.414SS..  trans-62144.9165.4-68.4-69.8-72.500110.2E326M292-E326 HydrophobicContact CE-CB 4.21Å; M292-E326 HydrophobicContact CE-CG 4.1Å
293L83.1Confident77.7Confident8 Ų872.6 Ų72.64%0.04239%0.394CS..  trans-114.7113.9167.2-64.8169.1000105.8E298 I299 L323 L324 Y335 F336L293-E298 WeakPolarHBondContact CA-OE2 3.42Å; L293-E298 HydrophobicContact CD2-CB 4.12Å; L293-I299 HydrophobicContact CD1-CG1 4.41Å; L293-L323 HydrophobicContact CD1-CB 4.24Å; L293-L324 HydrophobicContact CB-CD2 3.94Å; L293-L324 WeakPolarHBondContact O-CD2 3.14Å; L293-Y335 HydrophobicContact CD1-CD1 3.98Å; L293-Y335 HydrophobicContact CD1-CE1 3.7Å; L293-Y335 HydrophobicContact CD2-CE1 4.13Å; L293-F336 HydrophobicContact CD1-CZ 4.27Å; L293-F336 HydrophobicContact CD2-CE1 4.5Å; L293-F336 HydrophobicContact CD2-CZ 3.96Å; L293-F336 HydrophobicContact CG-CZ 3.99Å
294G78.1Confident78.9Confident71 Ų7172.5 Ų72.573%0.73239%0.391SS*.  trans-85.6-18.2-169.600000114.5E298G294-E298 PolarHBondContact N-OE2 3.32Å
295A84.9Confident80.3Confident33 Ų3370 Ų7027%0.27337%0.371SS..SBendtrans-153.7154-177.800000111.4E297 E298A295-E297 WeakPolarHBondContact CB-OE2 3.48Å; A295-E297 PolarHBondContact O-N 3.07Å; A295-E297 VanDerWaalsContact O-N 3.13Å; A295-E298 WeakPolarHBondContact O-CB 3.27Å; A295-E298 PolarHBondContact O-N 2.89Å
296P85.6Confident81.6Confident71 Ų7166.8 Ų66.846%0.46135%0.35SS..G310 helixtrans-54.1-31.1176.7-23.732000113.8E298 I299 L324P296-E298 PolarHBondContact O-N 3.25Å; P296-I299 WeakPolarHBondContact O-CB 3.44Å; P296-I299 WeakPolarHBondContact O-CG1 3.4Å; P296-I299 PolarHBondContact O-N 2.83Å; P296-I299 VanDerWaalsContact O-N 3.11Å; P296-L324 HydrophobicContact CB-CD1 4.31Å; P296-L324 HydrophobicContact CG-CD1 3.78Å
297E86.4Confident82.7Confident138 Ų13860 Ų6065%0.64533%0.325SS*.G310 helixtrans-70.9-8.8179.5-59.275.8-167.500113.6A295 L372A295-E297 WeakPolarHBondContact CB-OE2 3.48Å; A295-E297 PolarHBondContact O-N 3.07Å; A295-E297 VanDerWaalsContact O-N 3.13Å; E297-L372 WeakPolarHBondContact O-CD1 3.39Å
298E85.8Confident83.8Confident109 Ų10952.1 Ų52.151%0.50929%0.291SS..G310 helixtrans-87.4-6.2170.8-58.9-164137.200113.1L293 G294 A295 P296 Y335L293-E298 WeakPolarHBondContact CA-OE2 3.42Å; L293-E298 HydrophobicContact CD2-CB 4.12Å; G294-E298 PolarHBondContact N-OE2 3.32Å; A295-E298 WeakPolarHBondContact O-CB 3.27Å; A295-E298 PolarHBondContact O-N 2.89Å; P296-E298 PolarHBondContact O-N 3.25Å; E298-Y335 PolarHBondContact O-OH 3.34Å
299I89.9Confident84.4Confident13 Ų1351.1 Ų51.17%0.06729%0.285CS..SBendtrans-84.3121.2-178.5-55.6176.8000109.9L293 P296 L304 T320 L323 L324 Y335L293-I299 HydrophobicContact CD1-CG1 4.41Å; P296-I299 WeakPolarHBondContact O-CB 3.44Å; P296-I299 WeakPolarHBondContact O-CG1 3.4Å; P296-I299 PolarHBondContact O-N 2.83Å; P296-I299 VanDerWaalsContact O-N 3.11Å; I299-L304 HydrophobicContact CG2-CB 4.08Å; I299-L304 HydrophobicContact CG2-CD1 4.12Å; I299-L304 HydrophobicContact CG2-CD2 4.18Å; I299-L304 HydrophobicContact CG2-CG 4.36Å; I299-T320 HydrophobicContact CD1-CG2 3.87Å; I299-L323 HydrophobicContact CD1-CB 4.33Å; I299-L323 HydrophobicContact CD1-CD1 4.43Å; I299-L323 HydrophobicContact CG2-CD1 4.23Å; I299-L324 HydrophobicContact CD1-CD1 4.3Å; I299-L324 HydrophobicContact CD1-CD2 4.18Å; I299-L324 HydrophobicContact CD1-CG 4.1Å; I299-Y335 WeakPolarHBondContact CA-OH 3.36Å; I299-Y335 HydrophobicContact CG2-CE2 3.81Å
300D89.8Confident84.6Confident8 Ų848.3 Ų48.34%0.04327%0.266CS..  trans-70.5120.3177.3-172-70000110.6D302 V303 L304 Y335 L339 K342D300-D302 PolarHBondContact O-N 2.85Å; D300-D302 PolarHBondContact OD1-N 3.03Å; D300-V303 HydrophobicContact CB-CB 4.08Å; D300-V303 HydrophobicContact CB-CG2 3.95Å; D300-V303 PolarHBondContact O-N 3.42Å; D300-V303 PolarHBondContact OD1-N 3.2Å; D300-L304 PolarHBondContact O-N 2.93Å; D300-Y335 HydrophobicContact CB-CE2 4.43Å; D300-Y335 PolarHBondContact N-OH 2.85Å; D300-L339 HydrophobicContact CB-CD1 3.8Å; D300-K342 IonicContact OD1-NZ 2.65Å; D300-K342 PolarHBondContact OD1-NZ 3.2Å; D300-K342 IonicContact OD2-NZ 2.77Å; D300-K342 PolarHBondContact OD2-NZ 2.74Å
301P89.1Confident84.2Confident71 Ų7147.1 Ų47.146%0.46126%0.264SS..Hα-helixtrans-69.1-31.2-169.626.4-34.9000113.2L304 E305P301-L304 PolarHBondContact O-N 2.91Å; P301-E305 PolarHBondContact O-N 3Å
302D87.3Confident83.6Confident35 Ų3544.4 Ų44.419%0.18726%0.263CS..Hα-helixtrans-74-33.5179.2-44.9-45000110.8D300 S306 K342 S369D300-D302 PolarHBondContact O-N 2.85Å; D300-D302 PolarHBondContact OD1-N 3.03Å; D302-S306 VanDerWaalsContact O-CB 3.26Å; D302-S306 WeakPolarHBondContact O-CB 3.44Å; D302-S306 PolarHBondContact O-N 3.46Å; D302-S306 PolarHBondContact O-OG 3.11Å; D302-K342 VanDerWaalsContact OD2-CE 3.28Å; D302-K342 WeakPolarHBondContact OD2-CE 3.32Å; D302-K342 IonicContact OD2-NZ 3.37Å; D302-K342 PolarHBondContact OD2-NZ 3.41Å; D302-S369 WeakPolarHBondContact OD1-CB 3.43Å; D302-S369 PolarHBondContact OD1-OG 3.43Å; D302-S369 WeakPolarHBondContact OD2-CA 3.23Å; D302-S369 WeakPolarHBondContact OD2-CB 3.5Å; D302-S369 PolarHBondContact OD2-N 3.36Å; D302-S369 PolarHBondContact OD2-OG 2.82Å
303V89Confident83.4Confident4 Ų440.4 Ų40.42%0.02424%0.242CC..Hα-helixtrans-66.8-46.6172175.70000110D300 E305 S306 M307 Y335 L338 L339 K342D300-V303 HydrophobicContact CB-CB 4.08Å; D300-V303 HydrophobicContact CB-CG2 3.95Å; D300-V303 PolarHBondContact O-N 3.42Å; D300-V303 PolarHBondContact OD1-N 3.2Å; V303-E305 PolarHBondContact O-N 3.43Å; V303-S306 CarbonylContact O-C 3.57Å; V303-S306 WeakPolarHBondContact O-CB 3.23Å; V303-S306 PolarHBondContact O-N 2.9Å; V303-S306 VanDerWaalsContact O-N 3.14Å; V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.45Å; V303-M307 WeakPolarHBondContact O-CG 3.42Å; V303-M307 PolarHBondContact O-N 2.92Å; V303-Y335 HydrophobicContact CB-CD2 4.18Å; V303-Y335 HydrophobicContact CB-CE2 3.98Å; V303-Y335 HydrophobicContact CG1-CD2 3.32Å; V303-Y335 HydrophobicContact CG1-CE2 3.62Å; V303-Y335 HydrophobicContact CG1-CG 4.05Å; V303-L338 HydrophobicContact CB-CB 4.45Å; V303-L338 HydrophobicContact CG1-CB 3.61Å; V303-L338 HydrophobicContact CG1-CD1 4.02Å; V303-L338 HydrophobicContact CG1-CG 4.47Å; V303-L338 HydrophobicContact CG2-CB 4.23Å; V303-L339 HydrophobicContact CG2-CB 4.39Å; V303-L339 HydrophobicContact CG2-CD1 4.03Å; V303-K342 HydrophobicContact CG2-CD 4.27Å
304L89.6Confident83Confident34 Ų3449.4 Ų49.418%0.17828%0.276CS..Hα-helixtrans-60-43.3179.1-17167.3000112.2I299 D300 P301 M307 H308 L319 L323I299-L304 HydrophobicContact CG2-CB 4.08Å; I299-L304 HydrophobicContact CG2-CD1 4.12Å; I299-L304 HydrophobicContact CG2-CD2 4.18Å; I299-L304 HydrophobicContact CG2-CG 4.36Å; D300-L304 PolarHBondContact O-N 2.93Å; P301-L304 PolarHBondContact O-N 2.91Å; L304-M307 PolarHBondContact O-N 2.83Å; L304-H308 PolarHBondContact O-N 3.45Å; L304-L319 HydrophobicContact CD1-CD2 3.57Å; L304-L319 HydrophobicContact CD1-CG 3.92Å; L304-L323 HydrophobicContact CD1-CD1 3.77Å
305E86.2Confident83.2Confident80 Ų8050 Ų5037%0.37426%0.263SS..Hα-helixtrans-69.3-35.8175-162.765.4-115.600112.3P301 V303 M307 H308 S309 K316P301-E305 PolarHBondContact O-N 3Å; V303-E305 PolarHBondContact O-N 3.43Å; E305-M307 VanDerWaalsContact C-N 3.3Å; E305-M307 PolarHBondContact O-N 2.94Å; E305-H308 PolarHBondContact O-N 2.79Å; E305-H308 IonicContact OE1-CE1 2.61Å; E305-H308 IonicContact OE1-CG 2.95Å; E305-H308 IonicContact OE1-ND1 2.66Å; E305-H308 PolarHBondContact OE1-ND1 3.29Å; E305-S309 WeakPolarHBondContact O-CB 3.5Å; E305-S309 PolarHBondContact O-N 3.38Å; E305-S309 PolarHBondContact O-OG 3Å; E305-K316 IonicContact OE1-NZ 2.72Å; E305-K316 PolarHBondContact OE1-NZ 2.91Å; E305-K316 IonicContact OE2-NZ 2.61Å; E305-K316 PolarHBondContact OE2-NZ 3.3Å
306S85.6Confident83.2Confident17 Ų1752 Ų5212%0.11927%0.265CS..Hα-helixtrans-64-35.6173.6-60.80000111.7A69 D302 V303A69-S306 WeakPolarHBondContact CB-O 3.3Å; D302-S306 VanDerWaalsContact O-CB 3.26Å; D302-S306 WeakPolarHBondContact O-CB 3.44Å; D302-S306 PolarHBondContact O-N 3.46Å; D302-S306 PolarHBondContact O-OG 3.11Å; V303-S306 CarbonylContact O-C 3.57Å; V303-S306 WeakPolarHBondContact O-CB 3.23Å; V303-S306 PolarHBondContact O-N 2.9Å; V303-S306 VanDerWaalsContact O-N 3.14Å
307M85.6Confident83.4Confident0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-69.2-49.2173.5-72.6-174.976.100112.3V303 L304 E305 S309 L310 F313 L319 L323 E331 I334 Y335 L338V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.45Å; V303-M307 WeakPolarHBondContact O-CG 3.42Å; V303-M307 PolarHBondContact O-N 2.92Å; L304-M307 PolarHBondContact O-N 2.83Å; E305-M307 VanDerWaalsContact C-N 3.3Å; E305-M307 PolarHBondContact O-N 2.94Å; M307-S309 PolarHBondContact O-N 3.18Å; M307-L310 VanDerWaalsContact O-CB 3.25Å; M307-L310 WeakPolarHBondContact O-CB 3.46Å; M307-L310 PolarHBondContact O-N 2.85Å; M307-F313 HydrophobicContact CB-CD2 4.16Å; M307-F313 HydrophobicContact CE-CD2 4.05Å; M307-F313 HydrophobicContact CE-CE2 3.84Å; M307-F313 HydrophobicContact CE-CZ 4.33Å; M307-L319 HydrophobicContact CB-CD2 3.92Å; M307-L319 HydrophobicContact CE-CD1 3.6Å; M307-L319 HydrophobicContact SD-CD1 4.34Å; M307-L323 HydrophobicContact CE-CD2 4.4Å; M307-L323 HydrophobicContact SD-CD1 4.38Å; M307-L323 HydrophobicContact SD-CD2 4.42Å; M307-E331 HydrophobicContact CE-CB 4.28Å; M307-E331 WeakPolarHBondContact CE-O 3.29Å; M307-I334 HydrophobicContact CE-CB 4.09Å; M307-I334 HydrophobicContact CE-CG2 4Å; M307-I334 HydrophobicContact CG-CG2 4.24Å; M307-Y335 HydrophobicContact SD-CD2 4.08Å; M307-Y335 HydrophobicContact SD-CG 4.38Å; M307-L338 HydrophobicContact CG-CD1 3.49Å; M307-L338 VanDerWaalsContact CG-CD1 3.49Å
308H83.9Confident83.5Confident44 Ų4453.4 Ų53.420%0.20427%0.268CS..Hα-helixtrans-53.4-41.9176171.9-112.2000111.6L304 E305 L310 G311 F313 K316L304-H308 PolarHBondContact O-N 3.45Å; E305-H308 PolarHBondContact O-N 2.79Å; E305-H308 IonicContact OE1-CE1 2.61Å; E305-H308 IonicContact OE1-CG 2.95Å; E305-H308 IonicContact OE1-ND1 2.66Å; E305-H308 PolarHBondContact OE1-ND1 3.29Å; H308-L310 PolarHBondContact O-N 3.11Å; H308-L310 VanDerWaalsContact O-N 3.13Å; H308-G311 PolarHBondContact O-N 2.89Å; H308-F313 PolarHBondContact CD2-O 2.96Å; H308-K316 HydrophobicContact CB-CG 4.45Å; H308-K316 VanDerWaalsContact CD2-CE 3.44Å; H308-K316 WeakPolarHBondContact CD2-CE 3.43Å; H308-K316 VanDerWaalsContact CE1-CE 3.47Å; H308-K316 WeakPolarHBondContact CE1-CE 3.3Å; H308-K316 WeakPolarHBondContact ND1-CE 3.26Å
309S80Confident83.7Confident8 Ų848.3 Ų48.36%0.05624%0.244CC..THydrogen-bonded Turntrans-60.7-18.6175.9-59.40000114.8E305 M307 G311E305-S309 WeakPolarHBondContact O-CB 3.5Å; E305-S309 PolarHBondContact O-N 3.38Å; E305-S309 PolarHBondContact O-OG 3Å; M307-S309 PolarHBondContact O-N 3.18Å; S309-G311 PolarHBondContact O-N 3.35Å
310L75.3Confident83.7Confident2 Ų249.3 Ų49.31%0.0125%0.251CS..THydrogen-bonded Turntrans-68.5-22.1173.7-61.2165000111.7R66 A69 I70 L166 M307 H308 C312 F313 I334R66-L310 HydrophobicContact CG-CD2 4.46Å; R66-L310 PolarHBondContact NE-O 3.16Å; A69-L310 HydrophobicContact CB-CD2 3.61Å; A69-L310 HydrophobicContact CB-CG 4.12Å; I70-L310 HydrophobicContact CG1-CD2 3.79Å; L166-L310 HydrophobicContact CD1-CB 4.42Å; L166-L310 HydrophobicContact CD1-CD1 3.72Å; M307-L310 VanDerWaalsContact O-CB 3.25Å; M307-L310 WeakPolarHBondContact O-CB 3.46Å; M307-L310 PolarHBondContact O-N 2.85Å; H308-L310 PolarHBondContact O-N 3.11Å; H308-L310 VanDerWaalsContact O-N 3.13Å; L310-C312 PolarHBondContact O-N 3.42Å; L310-F313 HydrophobicContact CD1-CD2 4.49Å; L310-F313 HydrophobicContact CD1-CE2 4.27Å; L310-I334 HydrophobicContact CD1-CG2 3.97Å
311G69.3Low83.7Confident19 Ų1956.6 Ų56.620%0.19628%0.282CS..SBendtrans77.1-2169.900000116.2H308 S309 R314H308-G311 PolarHBondContact O-N 2.89Å; S309-G311 PolarHBondContact O-N 3.35Å; G311-R314 VanDerWaalsContact O-CG 3.26Å; G311-R314 WeakPolarHBondContact O-CG 3.47Å; G311-R314 PolarHBondContact O-NE 3.43Å; G311-R314 VanDerWaalsContact O-NE 3.14Å
312C68.8Low83.7Confident62 Ų6254.7 Ų54.742%0.41927%0.268SS..SBendtrans-77.9-38.7157.748.80000110.9L310 R314L310-C312 PolarHBondContact O-N 3.42Å; C312-R314 PolarHBondContact O-N 3.25Å
313F79.3Confident83.9Confident21 Ų2153 Ų539%0.09226%0.259CS..  trans-92.362.9179.3-48.1-58.8000111.8L166 M307 H308 L310 D315 L319 E331 I334L166-F313 HydrophobicContact CD1-CE2 3.91Å; L166-F313 HydrophobicContact CD1-CZ 4.27Å; M307-F313 HydrophobicContact CB-CD2 4.16Å; M307-F313 HydrophobicContact CE-CD2 4.05Å; M307-F313 HydrophobicContact CE-CE2 3.84Å; M307-F313 HydrophobicContact CE-CZ 4.33Å; H308-F313 PolarHBondContact CD2-O 2.96Å; L310-F313 HydrophobicContact CD1-CD2 4.49Å; L310-F313 HydrophobicContact CD1-CE2 4.27Å; F313-D315 VanDerWaalsContact C-N 3.34Å; F313-L319 HydrophobicContact CB-CB 4.43Å; F313-L319 HydrophobicContact CB-CD1 4.18Å; F313-L319 HydrophobicContact CB-CD2 3.89Å; F313-L319 HydrophobicContact CB-CG 4.38Å; F313-L319 HydrophobicContact CD1-CD1 4.17Å; F313-L319 HydrophobicContact CG-CD1 4.05Å; F313-L319 HydrophobicContact CG-CD2 4.5Å; F313-E331 HydrophobicContact CD1-CG 4.1Å; F313-E331 HydrophobicContact CE1-CG 3.67Å; F313-E331 WeakPolarHBondContact CE1-OE1 3.37Å; F313-E331 HydrophobicContact CZ-CG 4.31Å; F313-I334 HydrophobicContact CE2-CD1 3.99Å; F313-I334 HydrophobicContact CE2-CG2 4.42Å; F313-I334 HydrophobicContact CZ-CD1 3.7Å
314R72.9Confident84Confident197 Ų19755.1 Ų55.174%0.74327%0.27SS*.  trans-73.4-24.5-175.6-58.4-172.2-174.1-176.24.6114.4G311 C312G311-R314 VanDerWaalsContact O-CG 3.26Å; G311-R314 WeakPolarHBondContact O-CG 3.47Å; G311-R314 PolarHBondContact O-NE 3.43Å; G311-R314 VanDerWaalsContact O-NE 3.14Å; C312-R314 PolarHBondContact O-N 3.25Å
315D83Confident84.1Confident85 Ų8555 Ų5546%0.45527%0.272SS..  trans-99.1108.5179.8-177.5-23.5000107.8F313 D317 K318 L319F313-D315 VanDerWaalsContact C-N 3.34Å; D315-D317 VanDerWaalsContact C-N 3.33Å; D315-D317 PolarHBondContact OD1-N 2.97Å; D315-K318 HydrophobicContact CB-CB 3.86Å; D315-K318 VanDerWaalsContact CG-CB 3.45Å; D315-K318 PolarHBondContact OD1-N 3.45Å; D315-L319 VanDerWaalsContact O-CB 3.27Å; D315-L319 WeakPolarHBondContact O-CB 3.43Å; D315-L319 PolarHBondContact O-N 3.16Å
316K85.8Confident84Confident73 Ų7358.9 Ų58.932%0.31729%0.29SS..Hα-helixtrans-70.3-30.2-179.1-71.3-169.8176.2-177.70112.3E305 H308 T320E305-K316 IonicContact OE1-NZ 2.72Å; E305-K316 PolarHBondContact OE1-NZ 2.91Å; E305-K316 IonicContact OE2-NZ 2.61Å; E305-K316 PolarHBondContact OE2-NZ 3.3Å; H308-K316 HydrophobicContact CB-CG 4.45Å; H308-K316 VanDerWaalsContact CD2-CE 3.44Å; H308-K316 WeakPolarHBondContact CD2-CE 3.43Å; H308-K316 VanDerWaalsContact CE1-CE 3.47Å; H308-K316 WeakPolarHBondContact CE1-CE 3.3Å; H308-K316 WeakPolarHBondContact ND1-CE 3.26Å; K316-T320 VanDerWaalsContact O-CB 3.26Å; K316-T320 WeakPolarHBondContact O-CB 3.24Å; K316-T320 PolarHBondContact O-N 3.44Å; K316-T320 PolarHBondContact O-OG1 3.49Å
317D88.6Confident83.9Confident134 Ų13464.1 Ų64.172%0.71732%0.317SS*.Hα-helixtrans-77.1-41.8-178.6-60.4-37.6000110D315 T320 K321D315-D317 VanDerWaalsContact C-N 3.33Å; D315-D317 PolarHBondContact OD1-N 2.97Å; D317-T320 PolarHBondContact O-N 3.03Å; D317-K321 WeakPolarHBondContact O-CB 3.49Å; D317-K321 PolarHBondContact O-N 2.97Å
318K88.8Confident83.6Confident106 Ų10670 Ų7046%0.46135%0.349SS..Hα-helixtrans-60.2-51.4168.6-167.8-154.3174.9-62.80110.9D315 T320 K321 D322D315-K318 HydrophobicContact CB-CB 3.86Å; D315-K318 VanDerWaalsContact CG-CB 3.45Å; D315-K318 PolarHBondContact OD1-N 3.45Å; K318-T320 VanDerWaalsContact C-N 3.3Å; K318-T320 PolarHBondContact O-N 3.39Å; K318-K321 CarbonylContact O-C 3.6Å; K318-K321 WeakPolarHBondContact O-CA 3.38Å; K318-K321 WeakPolarHBondContact O-CB 3.37Å; K318-K321 PolarHBondContact O-N 3.46Å; K318-D322 IonicContact NZ-OD1 3.3Å; K318-D322 PolarHBondContact NZ-OD1 2.93Å; K318-D322 IonicContact NZ-OD2 3.66Å; K318-D322 PolarHBondContact NZ-OD2 3.27Å; K318-D322 PolarHBondContact O-N 3.37Å; K318-D322 VanDerWaalsContact O-OD2 3.04Å
319L89.1Confident83.6Confident2 Ų269.4 Ų69.41%0.0135%0.347CS..Hα-helixtrans-55.2-46178.9173.162000111.7L304 M307 F313 D315 K321 D322 L323 E331L304-L319 HydrophobicContact CD1-CD2 3.57Å; L304-L319 HydrophobicContact CD1-CG 3.92Å; M307-L319 HydrophobicContact CB-CD2 3.92Å; M307-L319 HydrophobicContact CE-CD1 3.6Å; M307-L319 HydrophobicContact SD-CD1 4.34Å; F313-L319 HydrophobicContact CB-CB 4.43Å; F313-L319 HydrophobicContact CB-CD1 4.18Å; F313-L319 HydrophobicContact CB-CD2 3.89Å; F313-L319 HydrophobicContact CB-CG 4.38Å; F313-L319 HydrophobicContact CD1-CD1 4.17Å; F313-L319 HydrophobicContact CG-CD1 4.05Å; F313-L319 HydrophobicContact CG-CD2 4.5Å; D315-L319 VanDerWaalsContact O-CB 3.27Å; D315-L319 WeakPolarHBondContact O-CB 3.43Å; D315-L319 PolarHBondContact O-N 3.16Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 3.07Å; L319-D322 PolarHBondContact O-N 3.14Å; L319-L323 HydrophobicContact CD1-CD1 4.19Å; L319-L323 HydrophobicContact CD1-CG 4.16Å; L319-L323 HydrophobicContact CG-CD1 4.2Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 3.46Å; L319-E331 HydrophobicContact CD1-CB 4.04Å; L319-E331 HydrophobicContact CD1-CG 3.87Å
320T90.9Very high83.4Confident34 Ų3473.5 Ų73.521%0.20937%0.365CS..Hα-helixtrans-60.5-43.5177-60.50000111.1I299 K316 D317 K318 L323 L324I299-T320 HydrophobicContact CD1-CG2 3.87Å; K316-T320 VanDerWaalsContact O-CB 3.26Å; K316-T320 WeakPolarHBondContact O-CB 3.24Å; K316-T320 PolarHBondContact O-N 3.44Å; K316-T320 PolarHBondContact O-OG1 3.49Å; D317-T320 PolarHBondContact O-N 3.03Å; K318-T320 VanDerWaalsContact C-N 3.3Å; K318-T320 PolarHBondContact O-N 3.39Å; T320-L323 PolarHBondContact O-N 2.94Å; T320-L324 HydrophobicContact CG2-CD1 3.99Å; T320-L324 VanDerWaalsContact O-CG 3.27Å; T320-L324 WeakPolarHBondContact O-CG 3.42Å; T320-L324 PolarHBondContact O-N 3.04Å
321K90Very high83.9Confident161 Ų16174.9 Ų74.970%0.737%0.371SS*.Hα-helixtrans-64.4-39.1175.5-177.1-178.6176-176.60112.9D317 K318 L319 L324 S325D317-K321 WeakPolarHBondContact O-CB 3.49Å; D317-K321 PolarHBondContact O-N 2.97Å; K318-K321 CarbonylContact O-C 3.6Å; K318-K321 WeakPolarHBondContact O-CA 3.38Å; K318-K321 WeakPolarHBondContact O-CB 3.37Å; K318-K321 PolarHBondContact O-N 3.46Å; L319-K321 VanDerWaalsContact C-N 3.33Å; L319-K321 PolarHBondContact O-N 3.07Å; K321-L324 CarbonylContact O-C 3.59Å; K321-L324 PolarHBondContact O-N 3.31Å; K321-S325 PolarHBondContact O-N 2.99Å; K321-S325 VanDerWaalsContact O-N 3.11Å
322D89.7Confident84.8Confident30 Ų3074 Ų7416%0.1636%0.362CS..Hα-helixtrans-66.6-42.4177.1-55.8-44.5000110.6K318 L319 L324 S325 N329 E331K318-D322 IonicContact NZ-OD1 3.3Å; K318-D322 PolarHBondContact NZ-OD1 2.93Å; K318-D322 IonicContact NZ-OD2 3.66Å; K318-D322 PolarHBondContact NZ-OD2 3.27Å; K318-D322 PolarHBondContact O-N 3.37Å; K318-D322 VanDerWaalsContact O-OD2 3.04Å; L319-D322 PolarHBondContact O-N 3.14Å; D322-L324 PolarHBondContact O-N 3.41Å; D322-S325 PolarHBondContact O-N 2.71Å; D322-S325 PolarHBondContact O-OG 2.69Å; D322-S325 VanDerWaalsContact O-OG 3.1Å; D322-N329 PolarHBondContact O-ND2 3.1Å; D322-E331 HydrophobicContact CB-CB 4.07Å; D322-E331 HydrophobicContact CB-CG 3.78Å
323L91.1Very high85.4Confident0 Ų075 Ų750%036%0.362CS..Hα-helixtrans-61.6-30.5176.1-69.1174.7000113L293 I299 L304 M307 L319 T320 E331 K332 Y335L293-L323 HydrophobicContact CD1-CB 4.24Å; I299-L323 HydrophobicContact CD1-CB 4.33Å; I299-L323 HydrophobicContact CD1-CD1 4.43Å; I299-L323 HydrophobicContact CG2-CD1 4.23Å; L304-L323 HydrophobicContact CD1-CD1 3.77Å; M307-L323 HydrophobicContact CE-CD2 4.4Å; M307-L323 HydrophobicContact SD-CD1 4.38Å; M307-L323 HydrophobicContact SD-CD2 4.42Å; L319-L323 HydrophobicContact CD1-CD1 4.19Å; L319-L323 HydrophobicContact CD1-CG 4.16Å; L319-L323 HydrophobicContact CG-CD1 4.2Å; L319-L323 VanDerWaalsContact O-CG 3.31Å; L319-L323 WeakPolarHBondContact O-CG 3.41Å; L319-L323 PolarHBondContact O-N 3.46Å; T320-L323 PolarHBondContact O-N 2.94Å; L323-E331 VanDerWaalsContact CD2-C 3.49Å; L323-E331 HydrophobicContact CD2-CB 3.99Å; L323-E331 WeakPolarHBondContact CD2-O 3.33Å; L323-E331 HydrophobicContact CG-CB 4.5Å; L323-K332 HydrophobicContact CD2-CG 4.45Å; L323-K332 WeakPolarHBondContact O-CE 3.3Å; L323-Y335 HydrophobicContact CD1-CD2 4.01Å; L323-Y335 HydrophobicContact CD1-CG 4.48Å; L323-Y335 HydrophobicContact CD2-CD2 4.24Å; L323-Y335 HydrophobicContact CD2-CG 3.9Å
324L91.7Very high85.7Confident49 Ų4974.7 Ų74.726%0.25736%0.361SS..THydrogen-bonded Turntrans-94.44.8178.9-61.9170.9000114.1L293 P296 I299 T320 K321 D322L293-L324 HydrophobicContact CB-CD2 3.94Å; L293-L324 WeakPolarHBondContact O-CD2 3.14Å; P296-L324 HydrophobicContact CB-CD1 4.31Å; P296-L324 HydrophobicContact CG-CD1 3.78Å; I299-L324 HydrophobicContact CD1-CD1 4.3Å; I299-L324 HydrophobicContact CD1-CD2 4.18Å; I299-L324 HydrophobicContact CD1-CG 4.1Å; T320-L324 HydrophobicContact CG2-CD1 3.99Å; T320-L324 VanDerWaalsContact O-CG 3.27Å; T320-L324 WeakPolarHBondContact O-CG 3.42Å; T320-L324 PolarHBondContact O-N 3.04Å; K321-L324 CarbonylContact O-C 3.59Å; K321-L324 PolarHBondContact O-N 3.31Å; D322-L324 PolarHBondContact O-N 3.41Å
325S90.4Very high86.4Confident31 Ų3165.4 Ų65.422%0.21733%0.326CS..SBendtrans-67.7161.9174.4750000111.2K321 D322 D327 N329 K332K321-S325 PolarHBondContact O-N 2.99Å; K321-S325 VanDerWaalsContact O-N 3.11Å; D322-S325 PolarHBondContact O-N 2.71Å; D322-S325 PolarHBondContact O-OG 2.69Å; D322-S325 VanDerWaalsContact O-OG 3.1Å; S325-D327 PolarHBondContact OG-O 3.04Å; S325-N329 PolarHBondContact OG-ND2 3.46Å; S325-K332 WeakPolarHBondContact O-CE 3.43Å; S325-K332 PolarHBondContact O-NZ 2.93Å
326E84.5Confident86.7Confident162 Ų16261.6 Ų61.676%0.75731%0.305SS*.SBendtrans-74.3-42.2171-56.2-161.6141.200111M292 K332M292-E326 HydrophobicContact CE-CB 4.21Å; M292-E326 HydrophobicContact CE-CG 4.1Å; E326-K332 PolarHBondContact O-NZ 3.18Å
327D84.3Confident86.6Confident126 Ų12659.5 Ų59.567%0.67430%0.297SS*.SBendtrans-57140.4-179.1-54.5-73.4000113.8S325 N329 K332S325-D327 PolarHBondContact OG-O 3.04Å; D327-N329 PolarHBondContact O-N 3.27Å; D327-K332 WeakPolarHBondContact O-CE 3.4Å; D327-K332 PolarHBondContact O-NZ 3.39Å
328D79.3Confident86.4Confident125 Ų12553.4 Ų53.467%0.66827%0.265SS*.  trans-71.6117.6168.6-88.3-21.7000110.1I290I290-D328 VanDerWaalsContact CG2-OD1 3.25Å; I290-D328 WeakPolarHBondContact CG2-OD1 3.44Å
329N83.1Confident86.4Confident31 Ų3148.7 Ų48.717%0.16625%0.245CC..  trans-131.1179.8-174.365.236.6000112.7D322 S325 D327 E331 K332 M333D322-N329 PolarHBondContact O-ND2 3.1Å; S325-N329 PolarHBondContact OG-ND2 3.46Å; D327-N329 PolarHBondContact O-N 3.27Å; N329-E331 PolarHBondContact OD1-N 3.29Å; N329-K332 WeakPolarHBondContact OD1-CB 3.4Å; N329-K332 VanDerWaalsContact OD1-CG 3.29Å; N329-K332 WeakPolarHBondContact OD1-CG 3.33Å; N329-K332 PolarHBondContact OD1-N 2.89Å; N329-M333 PolarHBondContact O-N 2.71Å
330Q75.9Confident86.1Confident94 Ų9450.2 Ų50.244%0.43925%0.253SS..Hα-helixtrans-80.3-35.6-169.2-61168.62.700110.6V168 M333 I334V168-Q330 HydrophobicContact CB-CG 4.49Å; V168-Q330 VanDerWaalsContact CB-OE1 3.24Å; V168-Q330 HydrophobicContact CG1-CB 4.27Å; V168-Q330 HydrophobicContact CG1-CG 3.74Å; Q330-M333 WeakPolarHBondContact O-CB 3.34Å; Q330-M333 PolarHBondContact O-N 3.27Å; Q330-I334 WeakPolarHBondContact O-CD1 3.41Å; Q330-I334 WeakPolarHBondContact O-CG1 3.33Å; Q330-I334 PolarHBondContact O-N 2.97Å
331E85.9Confident85.8Confident30 Ų3050 Ų5014%0.1425%0.248CC..Hα-helixtrans-54.4-52.9170.7-66.172.2-166.400110.1M307 F313 L319 D322 L323 N329 M333 I334 Y335M307-E331 HydrophobicContact CE-CB 4.28Å; M307-E331 WeakPolarHBondContact CE-O 3.29Å; F313-E331 HydrophobicContact CD1-CG 4.1Å; F313-E331 HydrophobicContact CE1-CG 3.67Å; F313-E331 WeakPolarHBondContact CE1-OE1 3.37Å; F313-E331 HydrophobicContact CZ-CG 4.31Å; L319-E331 HydrophobicContact CD1-CB 4.04Å; L319-E331 HydrophobicContact CD1-CG 3.87Å; D322-E331 HydrophobicContact CB-CB 4.07Å; D322-E331 HydrophobicContact CB-CG 3.78Å; L323-E331 VanDerWaalsContact CD2-C 3.49Å; L323-E331 HydrophobicContact CD2-CB 3.99Å; L323-E331 WeakPolarHBondContact CD2-O 3.33Å; L323-E331 HydrophobicContact CG-CB 4.5Å; N329-E331 PolarHBondContact OD1-N 3.29Å; E331-M333 PolarHBondContact O-N 3.02Å; E331-I334 PolarHBondContact O-N 3.25Å; E331-Y335 VanDerWaalsContact O-CB 3.28Å; E331-Y335 WeakPolarHBondContact O-CB 3.24Å; E331-Y335 PolarHBondContact O-N 3.07Å
332K87.3Confident85.5Confident0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-56.7-47.8173.4-76.8174.8177.4-179.80112I290 L323 S325 E326 D327 N329 I334 Y335 F336I290-K332 HydrophobicContact CG2-CB 4.12Å; I290-K332 HydrophobicContact CG2-CD 4.3Å; L323-K332 HydrophobicContact CD2-CG 4.45Å; L323-K332 WeakPolarHBondContact O-CE 3.3Å; S325-K332 WeakPolarHBondContact O-CE 3.43Å; S325-K332 PolarHBondContact O-NZ 2.93Å; E326-K332 PolarHBondContact O-NZ 3.18Å; D327-K332 WeakPolarHBondContact O-CE 3.4Å; D327-K332 PolarHBondContact O-NZ 3.39Å; N329-K332 WeakPolarHBondContact OD1-CB 3.4Å; N329-K332 VanDerWaalsContact OD1-CG 3.29Å; N329-K332 WeakPolarHBondContact OD1-CG 3.33Å; N329-K332 PolarHBondContact OD1-N 2.89Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 3.42Å; K332-Y335 WeakPolarHBondContact O-CB 3.49Å; K332-Y335 PolarHBondContact O-N 3.48Å; K332-F336 HydrophobicContact CB-CD2 4.39Å; K332-F336 HydrophobicContact CB-CE2 4.44Å; K332-F336 WeakPolarHBondContact O-CD2 3.33Å; K332-F336 PolarHBondContact O-N 3.27Å
333M83Confident85.3Confident85 Ų8545.3 Ų45.342%0.41923%0.227SC..Hα-helixtrans-56.7-47.7178.7178.562.785.900111.6I290 N329 Q330 E331 F336 L337I290-M333 HydrophobicContact CD1-CB 3.92Å; I290-M333 HydrophobicContact CD1-CE 3.77Å; I290-M333 HydrophobicContact CD1-SD 4Å; I290-M333 HydrophobicContact CG1-SD 4.35Å; N329-M333 PolarHBondContact O-N 2.71Å; Q330-M333 WeakPolarHBondContact O-CB 3.34Å; Q330-M333 PolarHBondContact O-N 3.27Å; E331-M333 PolarHBondContact O-N 3.02Å; M333-F336 PolarHBondContact O-N 2.88Å; M333-L337 HydrophobicContact CG-CD1 3.99Å; M333-L337 WeakPolarHBondContact O-CB 3.26Å; M333-L337 VanDerWaalsContact O-CG 3.29Å; M333-L337 WeakPolarHBondContact O-CG 3.4Å; M333-L337 PolarHBondContact O-N 2.87Å; M333-L337 HydrophobicContact SD-CD1 4.21Å; M333-L337 HydrophobicContact SD-CG 4.41Å
334I84.1Confident84.8Confident13 Ų1348.8 Ų48.87%0.06724%0.241CC..Hα-helixtrans-69.5-39.5-179-67.3155.4000111.3L166 M307 L310 F313 Q330 E331 K332 L337 L338L166-I334 HydrophobicContact CD1-CD1 3.47Å; L166-I334 VanDerWaalsContact CD1-CD1 3.47Å; L166-I334 HydrophobicContact CD1-CG1 4.29Å; L166-I334 HydrophobicContact CD1-CG2 4.46Å; L166-I334 HydrophobicContact CD2-CD1 4.38Å; M307-I334 HydrophobicContact CE-CB 4.09Å; M307-I334 HydrophobicContact CE-CG2 4Å; M307-I334 HydrophobicContact CG-CG2 4.24Å; L310-I334 HydrophobicContact CD1-CG2 3.97Å; F313-I334 HydrophobicContact CE2-CD1 3.99Å; F313-I334 HydrophobicContact CE2-CG2 4.42Å; F313-I334 HydrophobicContact CZ-CD1 3.7Å; Q330-I334 WeakPolarHBondContact O-CD1 3.41Å; Q330-I334 WeakPolarHBondContact O-CG1 3.33Å; Q330-I334 PolarHBondContact O-N 2.97Å; E331-I334 PolarHBondContact O-N 3.25Å; K332-I334 VanDerWaalsContact C-N 3.34Å; K332-I334 PolarHBondContact O-N 3.42Å; I334-L337 PolarHBondContact O-N 2.69Å; I334-L338 HydrophobicContact CG2-CD1 4.27Å; I334-L338 PolarHBondContact O-N 3.14Å
335Y89.1Confident84.2Confident3 Ų351.3 Ų51.31%0.01225%0.247CC..Hα-helixtrans-56.8-51.8171.9175.3-94.6000111.3L293 E298 I299 D300 V303 M307 L323 E331 K332 L337 L338 L339L293-Y335 HydrophobicContact CD1-CD1 3.98Å; L293-Y335 HydrophobicContact CD1-CE1 3.7Å; L293-Y335 HydrophobicContact CD2-CE1 4.13Å; E298-Y335 PolarHBondContact O-OH 3.34Å; I299-Y335 WeakPolarHBondContact CA-OH 3.36Å; I299-Y335 HydrophobicContact CG2-CE2 3.81Å; D300-Y335 HydrophobicContact CB-CE2 4.43Å; D300-Y335 PolarHBondContact N-OH 2.85Å; V303-Y335 HydrophobicContact CB-CD2 4.18Å; V303-Y335 HydrophobicContact CB-CE2 3.98Å; V303-Y335 HydrophobicContact CG1-CD2 3.32Å; V303-Y335 HydrophobicContact CG1-CE2 3.62Å; V303-Y335 HydrophobicContact CG1-CG 4.05Å; M307-Y335 HydrophobicContact SD-CD2 4.08Å; M307-Y335 HydrophobicContact SD-CG 4.38Å; L323-Y335 HydrophobicContact CD1-CD2 4.01Å; L323-Y335 HydrophobicContact CD1-CG 4.48Å; L323-Y335 HydrophobicContact CD2-CD2 4.24Å; L323-Y335 HydrophobicContact CD2-CG 3.9Å; E331-Y335 VanDerWaalsContact O-CB 3.28Å; E331-Y335 WeakPolarHBondContact O-CB 3.24Å; E331-Y335 PolarHBondContact O-N 3.07Å; K332-Y335 WeakPolarHBondContact O-CB 3.49Å; K332-Y335 PolarHBondContact O-N 3.48Å; Y335-L337 PolarHBondContact O-N 2.78Å; Y335-L338 PolarHBondContact O-N 3.1Å; Y335-L339 HydrophobicContact CE1-CD2 3.96Å; Y335-L339 WeakPolarHBondContact O-CB 3.33Å; Y335-L339 PolarHBondContact O-N 3.1Å
336F87.4Confident83.7Confident5 Ų552.6 Ų52.62%0.02226%0.255CS..Hα-helixtrans-69.8-30.7-179.2-74.7-64.9000113V288 I290 R291 L293 K332 M333 L339 D340V288-F336 HydrophobicContact CG1-CB 3.89Å; I290-F336 HydrophobicContact CB-CD2 4.13Å; I290-F336 HydrophobicContact CG1-CD2 4.17Å; I290-F336 HydrophobicContact CG2-CD2 3.91Å; I290-F336 HydrophobicContact CG2-CE2 3.98Å; R291-F336 HydrophobicContact CB-CE1 4.32Å; R291-F336 HydrophobicContact CB-CZ 3.95Å; R291-F336 WeakPolarHBondContact O-CE2 3.48Å; R291-F336 VanDerWaalsContact O-CZ 3.24Å; R291-F336 WeakPolarHBondContact O-CZ 3.06Å; L293-F336 HydrophobicContact CD1-CZ 4.27Å; L293-F336 HydrophobicContact CD2-CE1 4.5Å; L293-F336 HydrophobicContact CD2-CZ 3.96Å; L293-F336 HydrophobicContact CG-CZ 3.99Å; K332-F336 HydrophobicContact CB-CD2 4.39Å; K332-F336 HydrophobicContact CB-CE2 4.44Å; K332-F336 WeakPolarHBondContact O-CD2 3.33Å; K332-F336 PolarHBondContact O-N 3.27Å; M333-F336 PolarHBondContact O-N 2.88Å; F336-L339 HydrophobicContact CD1-CD2 3.98Å; F336-L339 HydrophobicContact CE1-CD2 4.08Å; F336-L339 PolarHBondContact O-N 3.2Å; F336-D340 WeakPolarHBondContact O-CB 3.09Å; F336-D340 PolarHBondContact O-N 3.37Å
337L83.7Confident83.5Confident29 Ų2945.7 Ų45.715%0.15223%0.225CC..Hα-helixtrans-64.1-44.7170.5-77164.2000112.3L73 V288 M333 I334 Y335 R341L73-L337 HydrophobicContact CD2-CB 3.67Å; V288-L337 HydrophobicContact CG2-CD2 3.85Å; M333-L337 HydrophobicContact CG-CD1 3.99Å; M333-L337 WeakPolarHBondContact O-CB 3.26Å; M333-L337 VanDerWaalsContact O-CG 3.29Å; M333-L337 WeakPolarHBondContact O-CG 3.4Å; M333-L337 PolarHBondContact O-N 2.87Å; M333-L337 HydrophobicContact SD-CD1 4.21Å; M333-L337 HydrophobicContact SD-CG 4.41Å; I334-L337 PolarHBondContact O-N 2.69Å; Y335-L337 PolarHBondContact O-N 2.78Å; L337-R341 WeakPolarHBondContact O-CB 3.47Å; L337-R341 PolarHBondContact O-N 2.86Å; L337-R341 VanDerWaalsContact O-N 3.1Å
338L85.1Confident83.3Confident5 Ų545.7 Ų45.73%0.02622%0.22CC..Hα-helixtrans-64.3-39.8173.5-80.4166.4000111.7L73 V303 M307 I334 Y335 R341 K342L73-L338 HydrophobicContact CD1-CD2 4.36Å; L73-L338 HydrophobicContact CD1-CG 4.4Å; L73-L338 HydrophobicContact CD2-CD2 4.15Å; L73-L338 HydrophobicContact CD2-CG 3.93Å; L73-L338 HydrophobicContact CG-CD2 3.78Å; L73-L338 HydrophobicContact CG-CG 4.03Å; V303-L338 HydrophobicContact CB-CB 4.45Å; V303-L338 HydrophobicContact CG1-CB 3.61Å; V303-L338 HydrophobicContact CG1-CD1 4.02Å; V303-L338 HydrophobicContact CG1-CG 4.47Å; V303-L338 HydrophobicContact CG2-CB 4.23Å; M307-L338 HydrophobicContact CG-CD1 3.49Å; M307-L338 VanDerWaalsContact CG-CD1 3.49Å; I334-L338 HydrophobicContact CG2-CD1 4.27Å; I334-L338 PolarHBondContact O-N 3.14Å; Y335-L338 PolarHBondContact O-N 3.1Å; L338-R341 PolarHBondContact O-N 2.88Å; L338-K342 WeakPolarHBondContact O-CB 3.36Å; L338-K342 PolarHBondContact O-N 3.12Å
339L88.2Confident83.4Confident8 Ų847 Ų474%0.04222%0.223CC..Hα-helixtrans-68.8-45.1179.2-167.271.3000112.2D300 V303 Y335 F336 R341 K342 E343 M371D300-L339 HydrophobicContact CB-CD1 3.8Å; V303-L339 HydrophobicContact CG2-CB 4.39Å; V303-L339 HydrophobicContact CG2-CD1 4.03Å; Y335-L339 HydrophobicContact CE1-CD2 3.96Å; Y335-L339 WeakPolarHBondContact O-CB 3.33Å; Y335-L339 PolarHBondContact O-N 3.1Å; F336-L339 HydrophobicContact CD1-CD2 3.98Å; F336-L339 HydrophobicContact CE1-CD2 4.08Å; F336-L339 PolarHBondContact O-N 3.2Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 3.01Å; L339-K342 CarbonylContact O-C 3.58Å; L339-K342 WeakPolarHBondContact O-CA 3.41Å; L339-K342 WeakPolarHBondContact O-CB 3.44Å; L339-K342 PolarHBondContact O-N 2.86Å; L339-E343 WeakPolarHBondContact O-CB 3.43Å; L339-E343 WeakPolarHBondContact O-CG 3.33Å; L339-E343 PolarHBondContact O-N 2.92Å; L339-M371 HydrophobicContact CD1-CE 3.71Å; L339-M371 HydrophobicContact CG-CE 4.32Å
340D84.6Confident83.3Confident34 Ų3447.3 Ų47.318%0.18222%0.224CC..Hα-helixtrans-59-39.2172.2162.881000111.1V288 F336 E343 R344V288-D340 HydrophobicContact CG1-CB 3.95Å; V288-D340 HydrophobicContact CG2-CB 3.86Å; F336-D340 WeakPolarHBondContact O-CB 3.09Å; F336-D340 PolarHBondContact O-N 3.37Å; D340-E343 PolarHBondContact O-N 3.46Å; D340-R344 WeakPolarHBondContact O-CB 3.41Å; D340-R344 VanDerWaalsContact O-CG 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.43Å; D340-R344 PolarHBondContact O-N 2.61Å; D340-R344 IonicContact OD1-NE 2.67Å; D340-R344 PolarHBondContact OD1-NE 2.87Å; D340-R344 IonicContact OD2-CZ 3.68Å; D340-R344 IonicContact OD2-NE 3.14Å; D340-R344 PolarHBondContact OD2-NE 2.86Å; D340-R344 IonicContact OD2-NH2 2.84Å; D340-R344 PolarHBondContact OD2-NH2 2.91Å
341R83.3Confident82.9Confident29 Ų2951 Ų5111%0.10924%0.242CC..Hα-helixtrans-65.8-38.2172.9177.9-102.2175.9-127.4-7.3112.5K72 L337 L338 L339 Y345 D368K72-R341 WeakPolarHBondContact O-CD 3.41Å; K72-R341 WeakPolarHBondContact O-CG 3.29Å; K72-R341 PolarHBondContact O-NE 3.2Å; L337-R341 WeakPolarHBondContact O-CB 3.47Å; L337-R341 PolarHBondContact O-N 2.86Å; L337-R341 VanDerWaalsContact O-N 3.1Å; L338-R341 PolarHBondContact O-N 2.88Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 3.01Å; R341-Y345 PolarHBondContact O-N 3.15Å; R341-D368 IonicContact NH1-OD2 2.7Å
342K84.9Confident81.8Confident7 Ų757 Ų573%0.0327%0.274CS..Hα-helixtrans-66.5-43.7174.4-167-174.5-175.8-173.30111.7D300 D302 V303 L338 L339 R344 P346 D368 S369D300-K342 IonicContact OD1-NZ 2.65Å; D300-K342 PolarHBondContact OD1-NZ 3.2Å; D300-K342 IonicContact OD2-NZ 2.77Å; D300-K342 PolarHBondContact OD2-NZ 2.74Å; D302-K342 VanDerWaalsContact OD2-CE 3.28Å; D302-K342 WeakPolarHBondContact OD2-CE 3.32Å; D302-K342 IonicContact OD2-NZ 3.37Å; D302-K342 PolarHBondContact OD2-NZ 3.41Å; V303-K342 HydrophobicContact CG2-CD 4.27Å; L338-K342 WeakPolarHBondContact O-CB 3.36Å; L338-K342 PolarHBondContact O-N 3.12Å; L339-K342 CarbonylContact O-C 3.58Å; L339-K342 WeakPolarHBondContact O-CA 3.41Å; L339-K342 WeakPolarHBondContact O-CB 3.44Å; L339-K342 PolarHBondContact O-N 2.86Å; K342-R344 PolarHBondContact O-N 3.02Å; K342-P346 WeakPolarHBondContact O-CA 3.49Å; K342-D368 VanDerWaalsContact CE-CB 3.49Å; K342-D368 HydrophobicContact CG-CB 4.26Å; K342-S369 PolarHBondContact NZ-O 3.22Å; K342-S369 VanDerWaalsContact NZ-O 3.15Å
343E84.5Confident80.8Confident85 Ų8560.1 Ų60.140%0.39729%0.291SS..Hα-helixtrans-63.1-38175.2-74.3-175.9177.400111.7L339 D340 M371 R374L339-E343 WeakPolarHBondContact O-CB 3.43Å; L339-E343 WeakPolarHBondContact O-CG 3.33Å; L339-E343 PolarHBondContact O-N 2.92Å; D340-E343 PolarHBondContact O-N 3.46Å; E343-M371 HydrophobicContact CG-CE 3.6Å; E343-M371 HydrophobicContact CG-SD 3.74Å; E343-R374 IonicContact OE1-NH1 3.63Å; E343-R374 PolarHBondContact OE1-NH1 2.63Å
344R81Confident79.9Confident73 Ų7357.8 Ų57.828%0.27528%0.282SS..Hα-helixtrans-78.4-38.4178.9-75.3-172.1-71.3112.5-4.6114.9D340 K342 P346D340-R344 WeakPolarHBondContact O-CB 3.41Å; D340-R344 VanDerWaalsContact O-CG 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.43Å; D340-R344 PolarHBondContact O-N 2.61Å; D340-R344 IonicContact OD1-NE 2.67Å; D340-R344 PolarHBondContact OD1-NE 2.87Å; D340-R344 IonicContact OD2-CZ 3.68Å; D340-R344 IonicContact OD2-NE 3.14Å; D340-R344 PolarHBondContact OD2-NE 2.86Å; D340-R344 IonicContact OD2-NH2 2.84Å; D340-R344 PolarHBondContact OD2-NH2 2.91Å; K342-R344 PolarHBondContact O-N 3.02Å; R344-P346 VanDerWaalsContact C-CD 3.49Å
345Y79.3Confident78.6Confident102 Ų10263 Ų6340%0.432%0.316SS..SBendtrans-131.965.3-174.1-56.2-50.4000111.4E75 R341 S347E75-Y345 WeakPolarHBondContact OE2-CE2 3.45Å; E75-Y345 PolarHBondContact OE2-OH 3.12Å; R341-Y345 PolarHBondContact O-N 3.15Å; Y345-S347 PolarHBondContact O-N 3.02Å
346P80Confident77.2Confident58 Ų5869.2 Ų69.238%0.37734%0.34SS..  trans-68.4127-177.528-35.6000111.9K342 R344 H348K342-P346 WeakPolarHBondContact O-CA 3.49Å; R344-P346 VanDerWaalsContact C-CD 3.49Å; P346-H348 PolarHBondContact O-N 2.88Å
347S80.8Confident75.7Confident17 Ų1772.2 Ų72.212%0.11936%0.356CS..  trans-80.981.9-176.8-43.10000110.1Y345 V367 D368Y345-S347 PolarHBondContact O-N 3.02Å; S347-V367 CarbonylContact O-C 3.54Å; S347-V367 WeakPolarHBondContact O-CA 3.48Å; S347-V367 VanDerWaalsContact O-CB 3.25Å; S347-V367 WeakPolarHBondContact O-CB 3.36Å; S347-V367 WeakPolarHBondContact O-CG1 3.28Å; S347-D368 WeakPolarHBondContact CB-OD2 3.43Å; S347-D368 PolarHBondContact N-OD2 2.9Å; S347-D368 PolarHBondContact O-N 3.31Å; S347-D368 PolarHBondContact OG-OD2 3.23Å
348H80Confident74.3Confident126 Ų12680.5 Ų80.558%0.58339%0.394SS*.PPolyproline II helixtrans-80.3160.8176.4-61.7-45.6000113P346 K365P346-H348 PolarHBondContact O-N 2.88Å; H348-K365 WeakPolarHBondContact O-CD 3.34Å; H348-K365 VanDerWaalsContact O-CE 3.28Å; H348-K365 WeakPolarHBondContact O-CE 3.3Å
349E80.1Confident73.3Confident154 Ų15484.2 Ų84.272%0.7241%0.413SS*.PPolyproline II helixtrans-59.4144.2170-71.9-161.5135.800111.9Q351 V367E349-Q351 PolarHBondContact O-N 3.19Å; E349-V367 HydrophobicContact CB-CG1 4.49Å; E349-V367 HydrophobicContact CG-CG1 3.79Å
350D80.4Confident72.3Confident36 Ų3689 Ų8919%0.19345%0.453CS..PPolyproline II helixtrans-75.7119.8-178.5-51.4-60.2000111.4Y86 L353 K365Y86-D350 VanDerWaalsContact CE1-OD2 3.28Å; Y86-D350 WeakPolarHBondContact CE1-OD2 3.47Å; Y86-D350 PolarHBondContact OH-OD1 2.84Å; Y86-D350 PolarHBondContact OH-OD2 3.29Å; D350-L353 HydrophobicContact CB-CD2 3.75Å; D350-L353 HydrophobicContact CB-CG 4.02Å; D350-K365 WeakPolarHBondContact OD1-CD 3.4Å; D350-K365 IonicContact OD1-NZ 2.6Å; D350-K365 PolarHBondContact OD1-NZ 3.32Å; D350-K365 WeakPolarHBondContact OD2-CD 3.34Å
351Q67.4Low72Confident173 Ų17389.3 Ų89.381%0.80846%0.455SS*.THydrogen-bonded Turntrans-80142.1175.2-60.3177.417.100110.5E349E349-Q351 PolarHBondContact O-N 3.19Å
352N63.2Low71.9Confident154 Ų15488.8 Ų88.882%0.82446%0.456SS*.THydrogen-bonded Turntrans60.845.5177.7-46.2-70.9000114.2
353L66.8Low71.9Confident67 Ų6789.2 Ų89.235%0.35146%0.459SS..PPolyproline II helixtrans-56.4145.1169.1-73.8172.4000111.7D350D350-L353 HydrophobicContact CB-CD2 3.75Å; D350-L353 HydrophobicContact CB-CG 4.02Å
354P64.1Low72Confident35 Ų3592.9 Ų92.923%0.22747%0.469CS..PPolyproline II helixtrans-61.9154.2172.327.1-33.8000111Y16 R356Y16-P354 HydrophobicContact CD1-CG 3.86Å; Y16-P354 HydrophobicContact CD2-CG 4.37Å; Y16-P354 HydrophobicContact CE1-CG 4.06Å; Y16-P354 HydrophobicContact CG-CG 4.05Å; P354-R356 PolarHBondContact O-N 2.91Å
355P57.9Low72.3Confident122 Ų12291.2 Ų91.279%0.79246%0.464SS*.PPolyproline II helixtrans-49.3116.1-177.3-30.236.3000112.7N357P355-N357 PolarHBondContact O-N 3.08Å
356R58.5Low72.6Confident135 Ų13589.8 Ų89.851%0.50946%0.458SS..  trans-75.4113.6-176.3-131.6177.2-167.51701.3108.5P354 P363P354-R356 PolarHBondContact O-N 2.91Å; R356-P363 PolarHBondContact NH2-O 3.49Å
357N55.2Low72.8Confident67 Ų6790 Ų9036%0.35846%0.458SS..  trans-57.8157.4165.5-72.6-57.7000110.2P355 I359P355-N357 PolarHBondContact O-N 3.08Å; N357-I359 HydrophobicContact CB-CG1 4.41Å; N357-I359 PolarHBondContact O-N 2.78Å
358E55.2Low72.8Confident204 Ų20490 Ų9095%0.95346%0.457SS*.  trans-70.353.4-178.6-60.9-177.1168.600113.5A360E358-A360 PolarHBondContact O-N 2.81Å
359I64.3Low72.7Confident82 Ų8286.2 Ų86.242%0.42144%0.444SS..  trans-78.5118.1172.3-58.3166.5000107.2N357 D361 P362N357-I359 HydrophobicContact CB-CG1 4.41Å; N357-I359 PolarHBondContact O-N 2.78Å; I359-D361 PolarHBondContact O-N 3.18Å; I359-D361 VanDerWaalsContact O-N 3.08Å; I359-P362 HydrophobicContact CB-CB 4.31Å; I359-P362 HydrophobicContact CG2-CB 4.43Å; I359-P362 VanDerWaalsContact O-CD 3.31Å; I359-P362 WeakPolarHBondContact O-CD 3.04Å
360A66.4Low72Confident108 Ų10884.7 Ų84.789%0.89345%0.447SS*.SBendtrans-62.2-17.7-173.800000115.3E358E358-A360 PolarHBondContact O-N 2.81Å
361D78Confident71Confident42 Ų4286.6 Ų86.623%0.22546%0.456CS..SBendtrans-145.977.5174-170.538.1000110.1N88 K89 I359N88-D361 VanDerWaalsContact CB-OD2 3.32Å; N88-D361 WeakPolarHBondContact CB-OD2 3.41Å; N88-D361 PolarHBondContact ND2-O 3.35Å; K89-D361 VanDerWaalsContact CB-OD2 3.26Å; K89-D361 WeakPolarHBondContact CB-OD2 3.29Å; K89-D361 VanDerWaalsContact CG-OD2 3.23Å; K89-D361 WeakPolarHBondContact CG-OD2 3.32Å; K89-D361 PolarHBondContact N-OD2 3.3Å; I359-D361 PolarHBondContact O-N 3.18Å; I359-D361 VanDerWaalsContact O-N 3.08Å
362P81.1Confident70.5Confident18 Ų1883.6 Ų83.612%0.11745%0.445CS..  trans-80.1145.5-173.332.4-30.8000110.5I359 R364I359-P362 HydrophobicContact CB-CB 4.31Å; I359-P362 HydrophobicContact CG2-CB 4.43Å; I359-P362 VanDerWaalsContact O-CD 3.31Å; I359-P362 WeakPolarHBondContact O-CD 3.04Å; P362-R364 PolarHBondContact O-N 3.26Å
363P85.7Confident69.7Low15 Ų1581.3 Ų81.310%0.09744%0.441CS..  trans-51.5127177.1-27.335.4000111.9V17 Y93 R356V17-P363 HydrophobicContact CG1-CB 4.37Å; Y93-P363 HydrophobicContact CD2-CB 4.28Å; Y93-P363 HydrophobicContact CD2-CG 4.43Å; Y93-P363 HydrophobicContact CE1-CG 4.41Å; Y93-P363 HydrophobicContact CE2-CB 3.97Å; Y93-P363 HydrophobicContact CE2-CG 3.7Å; R356-P363 PolarHBondContact NH2-O 3.49Å
364R86.4Confident68.9Low163 Ų16383.3 Ų83.362%0.61544%0.444SS*.EExtended strand (participates in β ladder)trans-107.5145.2174.5-61.9-174.3179.6-128.21.8108.8Y86 E87 P362Y86-R364 CarbonylContact C-O 3.57Å; Y86-R364 WeakPolarHBondContact CA-O 3.46Å; Y86-R364 WeakPolarHBondContact CB-O 3.38Å; E87-R364 PolarHBondContact N-O 3.17Å; E87-R364 PolarHBondContact O-N 3.18Å; P362-R364 PolarHBondContact O-N 3.26Å
365K88.2Confident67.8Low37 Ų3788.7 Ų88.716%0.16147%0.466CS..EExtended strand (participates in β ladder)trans-68.4138.7173.7-168.2158.5176.2156.70109.3D84 Y86 H348 D350 V367D84-K365 WeakPolarHBondContact OD1-CE 3.48Å; D84-K365 IonicContact OD1-NZ 2.72Å; D84-K365 PolarHBondContact OD1-NZ 3.5Å; D84-K365 IonicContact OD2-NZ 2.88Å; Y86-K365 VanDerWaalsContact CD1-CA 3.45Å; Y86-K365 HydrophobicContact CD1-CB 3.79Å; Y86-K365 HydrophobicContact CD1-CG 4.32Å; Y86-K365 HydrophobicContact CE1-CB 3.59Å; Y86-K365 HydrophobicContact CE1-CD 3.95Å; Y86-K365 HydrophobicContact CE1-CG 3.9Å; H348-K365 WeakPolarHBondContact O-CD 3.34Å; H348-K365 VanDerWaalsContact O-CE 3.28Å; H348-K365 WeakPolarHBondContact O-CE 3.3Å; D350-K365 WeakPolarHBondContact OD1-CD 3.4Å; D350-K365 IonicContact OD1-NZ 2.6Å; D350-K365 PolarHBondContact OD1-NZ 3.32Å; D350-K365 WeakPolarHBondContact OD2-CD 3.34Å; K365-V367 HydrophobicContact CB-CG1 4.13Å; K365-V367 HydrophobicContact CG-CG1 4.27Å; K365-V367 PolarHBondContact O-N 2.98Å
366R85.8Confident67Low73 Ų7387 Ų8728%0.27547%0.471SS..  trans-78.382.7172-162.4171.6-174156.5-20.7107.3E65 V85 E87E65-R366 VanDerWaalsContact CD-NH2 3.29Å; E65-R366 IonicContact OE1-CZ 3.2Å; E65-R366 VanDerWaalsContact OE1-CZ 3.3Å; E65-R366 IonicContact OE1-NH1 2.68Å; E65-R366 PolarHBondContact OE1-NH1 2.91Å; E65-R366 IonicContact OE1-NH2 2.72Å; E65-R366 PolarHBondContact OE1-NH2 2.98Å; E65-R366 IonicContact OE2-CZ 3.36Å; E65-R366 IonicContact OE2-NH1 2.66Å; E65-R366 PolarHBondContact OE2-NH1 2.93Å; E65-R366 IonicContact OE2-NH2 2.76Å; E65-R366 PolarHBondContact OE2-NH2 2.72Å; E65-R366 VanDerWaalsContact OE2-NH2 3.07Å; V85-R366 HydrophobicContact CB-CB 4.26Å; V85-R366 HydrophobicContact CG1-CB 4.26Å; V85-R366 PolarHBondContact O-N 3.26Å; E87-R366 VanDerWaalsContact OE2-CD 3.32Å; E87-R366 WeakPolarHBondContact OE2-CD 3.47Å; E87-R366 IonicContact OE2-CZ 3.41Å; E87-R366 IonicContact OE2-NE 2.85Å; E87-R366 IonicContact OE2-NH1 3.68Å; E87-R366 PolarHBondContact OE2-NH1 3.01Å
367V84.3Confident65.9Low61 Ų6189.5 Ų89.537%0.3749%0.486SS..PPolyproline II helixtrans-71.8149-176.4-66.70000111.5S347 E349 K365S347-V367 CarbonylContact O-C 3.54Å; S347-V367 WeakPolarHBondContact O-CA 3.48Å; S347-V367 VanDerWaalsContact O-CB 3.25Å; S347-V367 WeakPolarHBondContact O-CB 3.36Å; S347-V367 WeakPolarHBondContact O-CG1 3.28Å; E349-V367 HydrophobicContact CB-CG1 4.49Å; E349-V367 HydrophobicContact CG-CG1 3.79Å; K365-V367 HydrophobicContact CB-CG1 4.13Å; K365-V367 HydrophobicContact CG-CG1 4.27Å; K365-V367 PolarHBondContact O-N 2.98Å
368D80.1Confident64.8Low19 Ų1997.2 Ų97.210%0.10251%0.51CS..PPolyproline II helixtrans-78.9125.7173-79-45.8000108.7R341 K342 S347R341-D368 IonicContact NH1-OD2 2.7Å; K342-D368 VanDerWaalsContact CE-CB 3.49Å; K342-D368 HydrophobicContact CG-CB 4.26Å; S347-D368 WeakPolarHBondContact CB-OD2 3.43Å; S347-D368 PolarHBondContact N-OD2 2.9Å; S347-D368 PolarHBondContact O-N 3.31Å; S347-D368 PolarHBondContact OG-OD2 3.23Å
369S77.4Confident63.7Low45 Ų4598.6 Ų98.632%0.31551%0.506SS..PPolyproline II helixtrans-55.5141.1177-61.50000110.6D302 K342 M371D302-S369 WeakPolarHBondContact OD1-CB 3.43Å; D302-S369 PolarHBondContact OD1-OG 3.43Å; D302-S369 WeakPolarHBondContact OD2-CA 3.23Å; D302-S369 WeakPolarHBondContact OD2-CB 3.5Å; D302-S369 PolarHBondContact OD2-N 3.36Å; D302-S369 PolarHBondContact OD2-OG 2.82Å; K342-S369 PolarHBondContact NZ-O 3.22Å; K342-S369 VanDerWaalsContact NZ-O 3.15Å; S369-M371 PolarHBondContact O-N 3.03Å
370P66.3Low62.4Low122 Ų122100.4 Ų100.479%0.79252%0.523SS*.PPolyproline II helixtrans-54.5124179.1-24.533.7000110.8L372P370-L372 PolarHBondContact O-N 3.36Å
371M59.5Low60.8Low77 Ų77102.9 Ų102.938%0.37952%0.516SS..PPolyproline II helixtrans-58.1127.7-179.1-62.7-165.880.400110.2L339 E343 S369 S373L339-M371 HydrophobicContact CD1-CE 3.71Å; L339-M371 HydrophobicContact CG-CE 4.32Å; E343-M371 HydrophobicContact CG-CE 3.6Å; E343-M371 HydrophobicContact CG-SD 3.74Å; S369-M371 PolarHBondContact O-N 3.03Å; M371-S373 PolarHBondContact O-N 2.61Å
372L57.1Low58.9Low110 Ų110112.8 Ų112.858%0.57655%0.55SS**PPolyproline II helixtrans-54.3130.6174.7-60.9175.4000108.5E297 P370 R374E297-L372 WeakPolarHBondContact O-CD1 3.39Å; P370-L372 PolarHBondContact O-N 3.36Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 2.66Å
373S45.3Very low56.7Low105 Ų105121.5 Ų121.573%0.73459%0.586SS**  trans-68.182.4-151.1-179.90000114.1M371 H375M371-S373 PolarHBondContact O-N 2.61Å; S373-H375 PolarHBondContact O-N 2.95Å; S373-H375 PolarHBondContact OG-O 3.35Å
374R49.4Very low54.2Low109 Ų109126.4 Ų126.441%0.41162%0.621SS.*  trans-59.3-9-169.8-154.2174.1-165.3173.210.9116.1E343 L372E343-R374 IonicContact OE1-NH1 3.63Å; E343-R374 PolarHBondContact OE1-NH1 2.63Å; L372-R374 VanDerWaalsContact C-N 3.34Å; L372-R374 PolarHBondContact O-N 2.66Å
375H42.4Very low51.5Low148 Ų148126 Ų12669%0.68563%0.628SS**SBendtrans-136.9131.3171.9-71.879.9000110.7S373 K377S373-H375 PolarHBondContact O-N 2.95Å; S373-H375 PolarHBondContact OG-O 3.35Å; H375-K377 PolarHBondContact O-N 3.36Å
376G39.6Very low48.8Very low88 Ų88131.8 Ų131.891%0.90766%0.656SS**SBendtrans-71.539.3177.800000115.3
377K35.3Very low46.3Very low187 Ų187134.8 Ų134.881%0.81368%0.682SS**  trans-128.5101.9173.4-72.5-171.4177.9-179.40109.6H375 R379H375-K377 PolarHBondContact O-N 3.36Å; K377-R379 PolarHBondContact O-N 3.1Å; K377-R379 VanDerWaalsContact O-N 3.08Å
378R32.3Very low43.7Very low229 Ų229139.9 Ų139.986%0.86471%0.706SS**  trans-48.3115.2171-79178.2165.6166.1-6.1110.1
379R32.9Very low41.3Very low233 Ų233145.2 Ų145.288%0.87974%0.74SS**PPolyproline II helixtrans-62.8131.1155-173.1175.1-173.7162.11.5106.6K377 E381K377-R379 PolarHBondContact O-N 3.1Å; K377-R379 VanDerWaalsContact O-N 3.08Å; R379-E381 PolarHBondContact O-N 3.05Å; R379-E381 VanDerWaalsContact O-N 3.13Å
380P35.9Very low39.1Very low119 Ų119150 Ų15077%0.77377%0.767SS**PPolyproline II helixtrans-60.1120.6-176.7-25.734.7000111.4R382P380-R382 PolarHBondContact O-N 3.46Å
381E34.3Very low37.4Very low160 Ų160150.1 Ų150.175%0.74877%0.765SS**PPolyproline II helixtrans-64122.8173.7-69172.1102.500109.5R379 K383R379-E381 PolarHBondContact O-N 3.05Å; R379-E381 VanDerWaalsContact O-N 3.13Å; E381-K383 VanDerWaalsContact C-N 3.34Å; E381-K383 PolarHBondContact O-N 2.93Å
382R37.9Very low36Very low250 Ų250155.5 Ų155.594%0.94379%0.79SS**  trans-72.997.4160.2-86.6-174.2167174.4-4.2107.1P380 S384P380-R382 PolarHBondContact O-N 3.46Å; R382-S384 PolarHBondContact O-N 3.43Å; R382-S384 VanDerWaalsContact O-N 3.16Å
383K33.8Very low34.7Very low201 Ų201154 Ų15487%0.87480%0.8SS**  trans-39.8114.6-178-63.4-178.6178.1-175.90112.6E381E381-K383 VanDerWaalsContact C-N 3.34Å; E381-K383 PolarHBondContact O-N 2.93Å
384S33.1Very low34Very low118 Ų118152.8 Ų152.883%0.82580%0.804SS**  trans-91103.8153.151.60000108.6R382R382-S384 PolarHBondContact O-N 3.43Å; R382-S384 VanDerWaalsContact O-N 3.16Å
385M30.4Very low33Very low155 Ų155152.7 Ų152.776%0.76482%0.82SS**  trans-55.3149.2153.5-106.3164.562.500108.8
386E30.9Very low32.8Very low158 Ų158151.5 Ų151.574%0.73883%0.826SS**  cis-138.1132.918.2-61-178.7133.600110
387V33.3Very low32.5Very low137 Ų137153 Ų15383%0.8382%0.817SS**  5811199.1-174.70000115.4
388L29.6Very low32.5Very low167 Ų167149.9 Ų149.987%0.87482%0.816SS**  trans-86.5152.7164.9-83.7165.6000111.6
389T31.1Very low32.5Very low132 Ų132145.4 Ų145.481%0.8181%0.814SS**  trans-81.5129.9175.451.50000113.2
390V30.1Very low32.4Very low145 Ų145144.7 Ų144.788%0.87981%0.811SS**  trans-140.4157.4144.5177.70000108.1
391T30.4Very low32.3Very low124 Ų124150.1 Ų150.176%0.76182%0.816SS**  trans-80.8158.8-167.6470000116.3
392E30.8Very low32Very low191 Ų191146.8 Ų146.889%0.89382%0.816SS**  127.1133.6123.9-163.3160.7-134.800116.6
393G31Very low31.9Very low77 Ų77142.1 Ų142.179%0.79481%0.808SS**  trans88.6122.3160.400000118.3
394G28.6Very low31.7Very low80 Ų80139.3 Ų139.383%0.82580%0.803SS**  trans99.1101.9151.400000118
395S30Very low31.7Very low107 Ų107142 Ų14275%0.74880%0.804SS**  trans-81.9144.9152.8177.50000109.3
396P38.5Very low31.7Very low123 Ų123138.9 Ų138.980%0.79980%0.803SS**  -135133.1118.234.6-23.9000115.4
397V32.6Very low32Very low121 Ų121137.1 Ų137.173%0.73380%0.804SS**  trans-22.8134.3166.6-1740000117.3
398P35.4Very low32Very low121 Ų121139.7 Ų139.779%0.78681%0.806SS**  trans-83.8157.417535.3-36.5000114.2
399V31.7Very low32.1Very low135 Ų135134.7 Ų134.782%0.81880%0.795SS**  trans-111.7105.7-176.9179.20000113.6
400R31Very low32.2Very low218 Ų218135.7 Ų135.782%0.82379%0.79SS**  trans39.5110.5144.9-66.7178.1161.3-176.1-5.5120.8
401R34Very low32.2Very low232 Ų232139.2 Ų139.288%0.87579%0.788SS**  178124.7103.3-94160.7-177.7142.3-2.2108.8
402A28.1Very low32.4Very low90 Ų90137.9 Ų137.974%0.74478%0.783SS**  66.8135.996.800000112.8
403I35.1Very low32.5Very low153 Ų153139.9 Ų139.979%0.78578%0.783SS**  cis-136.2172.430.7-71.2170.6000111.4
404D29.3Very low32.6Very low141 Ų141140.2 Ų140.275%0.75477%0.773SS**  trans-38.6169.3170.7-56.6-87.4000116.8
405M32.9Very low32.8Very low174 Ų174143.7 Ų143.786%0.85777%0.771SS**  cis-171.5133.740.8-168170.8169.700115.1
406A30.9Very low32.9Very low90 Ų90143.9 Ų143.974%0.74477%0.772SS**  trans55.7163.2157.400000119.2
407T36.8Very low32.4Very low122 Ų122141.4 Ų141.475%0.74877%0.769SS**  cis-141.2163.76.848.70000111.7
408H34.6Very low32.4Very low191 Ų191140.5 Ų140.588%0.88477%0.774SS**  trans20.1141157.5-63.7-44.8000122.7
409G31.5Very low32.2Very low62 Ų62139.6 Ų139.664%0.63977%0.771SS**  cis155.7163-4.600000114.7
410Q31.9Very low32.2Very low152 Ų152139.1 Ų139.171%0.7177%0.773SS**  trans67.7116.5172.3-54-55.3-45.100116.7
411R30.7Very low32.1Very low220 Ų220132.1 Ų132.183%0.8377%0.769SS**  65.6138.1100.1-70.6-173.6178.3174.5-1115.2
412S34.8Very low31.9Very low95 Ų95129.4 Ų129.466%0.66477%0.771SS**  cis-165.8157.4-4.9-106.20000111.9
413R33.9Very low31.9Very low234 Ų234129.7 Ų129.788%0.88377%0.768SS**  trans10145.8138.5-64.4-179.2-175176.50.6119.3
414S32.5Very low31.8Very low83 Ų83128.6 Ų128.658%0.5877%0.768SS**  cis169.9165.1-2520000111.7
415I32.4Very low31.9Very low154 Ų154127.3 Ų127.379%0.7977%0.77SS**  trans68.8146.1143.2-75.8162000117.3
416S31.3Very low32.8Very low110 Ų110124.2 Ų124.277%0.76976%0.763SS**  cis-171.1169.8-19.3-87.60000110.4
417G29.8Very low32.7Very low71 Ų71127.3 Ų127.373%0.73277%0.766SS**  trans112.4125.5163.300000113.7
418A31.1Very low32.2Very low102 Ų102127.2 Ų127.284%0.84377%0.771SS**  82135.652.900000112.7
419S31.1Very low32.2Very low102 Ų102123.1 Ų123.171%0.71376%0.763SS**  cis-168.7166.8-2.2450000111.7
420S31.6Very low33Very low125 Ų125126.3 Ų126.387%0.87477%0.773SS**  trans61.4157162.950.20000118.8
421G29.4Very low33.2Very low71 Ų71130.3 Ų130.373%0.73278%0.782SS**  cis171.1142.4-10.500000114.3
422L30.5Very low34.1Very low176 Ų176125.4 Ų125.492%0.92178%0.778SS**  trans48.9119.1154.4-61.1177000123.5
423S28.5Very low33.8Very low95 Ų95128.3 Ų128.366%0.66478%0.781SS**  83.6129.6123.6-154.90000124.2
424T32.3Very low33.6Very low131 Ų131125.4 Ų125.480%0.80477%0.77SS**  trans67135.5143.940.60000123.4
425S32.2Very low33.4Very low113 Ų113131 Ų13179%0.7978%0.779SS**  trans-92.6-171.1169.2-37.60000111
426P50.6Low33.2Very low109 Ų109132.7 Ų132.771%0.70878%0.78SS**  cis-142.4-174.22.142.3-22.4000117.5
427L28.7Very low33Very low155 Ų155136.9 Ų136.981%0.81279%0.785SS**  trans71.4128.8147.4-89.6160000122.1
428S27.2Very low33.1Very low121 Ų121139.5 Ų139.585%0.84679%0.787SS**  trans-165.8160.8142.9-87.30000113.1
429S33.3Very low33.6Very low104 Ų104140.1 Ų140.173%0.72778%0.782SS**  trans-127.8179.5175.4-49.50000110.1
430P48.8Very low34.5Very low130 Ų130140.2 Ų140.284%0.84478%0.78SS**  -149.6-173.210836.1-16.8000116
431R36.2Very low34.3Very low236 Ų236143.2 Ų143.289%0.89178%0.781SS**  trans-111.5-178.1-171.7-50.9178.8177.8-171.6-1.2112.9
432P49.7Very low34.5Very low116 Ų116144.9 Ų144.975%0.75378%0.781SS**  -145.7-164.78146-29000112.5
433H29.3Very low35.1Very low156 Ų156141.1 Ų141.172%0.72277%0.767SS**  cis-140.3-88.2-5.5-158.455.2000115.6
434R29.8Very low35Very low174 Ų174143.2 Ų143.266%0.65777%0.771SS**  trans-164.9171.1-158-77.8-171.8169163.2-5.8111
435R28Very low34.9Very low201 Ų201144.1 Ų144.176%0.75877%0.77SS**  cis-157.3175.13.1-130.3172.1-174.9174.7-3.1112
436F28Very low34.5Very low189 Ų189143.9 Ų143.983%0.82977%0.767SS**  trans-75.1155.2179.2-57.8-106.7000115.7
437F26.6Very low33.3Very low197 Ų197147.1 Ų147.186%0.86477%0.773SS**  -177.7170.2107.3-117.1-95.6000114
438V33.1Very low33.3Very low126 Ų126145 Ų14576%0.76477%0.77SS**  trans-145131.7177.8170.50000106.4
439P40.3Very low34.3Very low115 Ų115144.7 Ų144.775%0.74777%0.766SS**  -156.2-141.988.837.9-11.3000113.6
440P50.5Low34.1Very low105 Ų105146.6 Ų146.668%0.68277%0.768SS**  -128.9-171.2-75.735-15.4000115.8
441Q27.1Very low33Very low188 Ų188145.8 Ų145.888%0.87976%0.764SS**  trans95.2143.6154.8-66.4-174.815.100121.6
442S33.6Very low32.7Very low105 Ų105140 Ų14073%0.73476%0.759SS**  trans-94.3-178.4169.158.40000109.5
443P42.5Very low32.5Very low97 Ų97139.8 Ų139.863%0.6376%0.758SS**  cis-149.4-166.631.844.7-22.3000117.3
444D28.3Very low32.5Very low139 Ų139137.5 Ų137.574%0.74376%0.756SS**  trans60.1156147.1-65.9-18.3000121
445L28.3Very low32.6Very low151 Ų151136.9 Ų136.979%0.79176%0.76SS**  cis171.3121.8-31.5-121.7176.3000105
446C24.6Very low32.6Very low107 Ų107134 Ų13472%0.72376%0.759SS**  trans-170.7150.4167.8-98.20000109.8
447Q25.7Very low32.8Very low178 Ų178131.9 Ų131.983%0.83276%0.756SS**  cis-161.2150.6-24.3-126.8174.923.600108.8
448S28.2Very low32.9Very low109 Ų109125.6 Ų125.676%0.76275%0.747SS**  trans-90.8-175.3170.4-54.70000109.9
449P48Very low32.8Very low116 Ų116126.9 Ų126.975%0.75376%0.755SS**  cis-126.4-149.54.632.5-6.1000111.5
450N29.5Very low32.2Very low144 Ų144124.4 Ų124.477%0.7775%0.75SS**  cis-163-174.913.5-157.78.9000113.5
451C25.1Very low32.5Very low112 Ų112125.6 Ų125.676%0.75776%0.757SS**  trans106.492.6151.9-65.30000118.8
452S30.2Very low32.6Very low114 Ų114128.3 Ų128.380%0.79776%0.76SS**  trans-92.8179.8144.8-31.70000108.6
453P46.3Very low32.7Very low113 Ų113127.3 Ų127.373%0.73476%0.758SS**  cis-135.5-158.436.233.5-6.7000112.3
454T29.7Very low33.2Very low108 Ų108127.6 Ų127.666%0.66376%0.76SS**  cis-165.1132.720.1-19.60000111.3
455H30.9Very low33.2Very low160 Ų160131.5 Ų131.574%0.74177%0.765SS**  trans60.3159.5136.9-77.9-133.9000120.9
456L28.6Very low33.5Very low142 Ų142131.2 Ų131.274%0.74376%0.76SS**  cis-149.8160.516.5-129151.8000113.4
457N31Very low34.3Very low143 Ų143132.5 Ų132.577%0.76577%0.767SS**  trans-43.1168.2176-50.7-16.2000118.2
458G28.9Very low34.5Very low65 Ų65132.4 Ų132.467%0.6776%0.764SS**  cis148.1-172.7-4.600000114.3
459V31.2Very low34.5Very low154 Ų154136.4 Ų136.493%0.93377%0.773SS**  trans77.2143.6169.1-158.50000117.8
460G28.7Very low33.5Very low63 Ų63134 Ų13465%0.64977%0.77SS**  trans-113.5-147.2171.800000112.1
461P57.1Low33.6Very low129 Ų129132.3 Ų132.384%0.83877%0.769SS**  cis-132.5-145.5-3.943.7-24.9000112.2
462R28.9Very low34.6Very low245 Ų245133 Ų13393%0.92577%0.772SS**  trans90143.7157.3-128.4-177.7-167.4174.63119
463A34.9Very low34.7Very low84 Ų84134.6 Ų134.669%0.69477%0.771SS**  trans-103.6-179.7164.200000108.9
464P53.9Low33.8Very low103 Ų103137.1 Ų137.167%0.66978%0.775SS**  cis-131-167.97.444.1-27.2000114
465Y28.4Very low34.2Very low221 Ų221140.8 Ų140.887%0.86778%0.784SS**  169.5149.1129.3-99.4-72.8000112.7
466Q34Very low34.9Very low146 Ų146138.1 Ų138.168%0.68278%0.781SS**  trans-103.7166.1156.9-81.9-165.2-21.600109.2
467P41.8Very low34.9Very low133 Ų133142.5 Ų142.586%0.86479%0.788SS**  -132.9172.1108.837.2-29.1000114.9
468K28.8Very low34.8Very low177 Ų177140.9 Ų140.977%0.7778%0.783SS**  trans-104.3165-179.2-57.8170.5179.6173.20111.3
469M29.2Very low34.8Very low192 Ų192146.1 Ų146.195%0.94679%0.79SS**  trans163142.1134.3-85.5-60.6-171.100108.2
470G26.1Very low34.8Very low67 Ų67144.9 Ų144.969%0.69178%0.783SS**  cis-161.5161.3-0.300000114.4
471S32.3Very low35Very low108 Ų108149.6 Ų149.676%0.75579%0.793SS**  trans-69.4177.5177.1-11.90000113
472P45.8Very low34.3Very low127 Ų127149.7 Ų149.783%0.82579%0.793SS**  cis-143.2174.142.138.5-16.3000119.4
473L32.4Very low34.4Very low146 Ų146142.3 Ų142.376%0.76479%0.785SS**  trans-83.4162.6179.1-66.263.9000112.3
474M26.8Very low34.5Very low166 Ų166147.7 Ų147.782%0.81879%0.792SS**  trans-158.7138133-101.9-49.1112.900114
475H39.3Very low33.6Very low185 Ų185149 Ų14986%0.85680%0.8SS**  trans-151.1134.1163.9-89.7-0000105.8
476P44.9Very low33.8Very low104 Ų104148.3 Ų148.368%0.67580%0.802SS**  -159.8151.396.638.7-19000118.6
477R29.3Very low33.6Very low235 Ų235148.1 Ų148.189%0.88781%0.81SS**  trans62.3167154.2-60.7171.4173.8162-1.9115.7
478T27.3Very low33Very low108 Ų108146.7 Ų146.766%0.66380%0.804SS**  cis-158.9145.317.1-30.30000111
479Q29.9Very low33.2Very low176 Ų176144.7 Ų144.782%0.82280%0.797SS**  trans58.5162.3157.7-75.2159.712.300117.9
480T30.3Very low33.2Very low128 Ų128142.9 Ų142.979%0.78578%0.784SS**  cis-149.9167.5-5.3-7.30000110.3
481L33.2Very low34.4Very low162 Ų162144.5 Ų144.585%0.84878%0.782SS**  trans-80.3157.8162-66.1169.9000110.8
482P43.1Very low34.4Very low131 Ų131147.1 Ų147.185%0.85179%0.787SS**  -146-169.595.939.2-22.2000114.6
483A30.9Very low33.7Very low90 Ų90149 Ų14974%0.74479%0.785SS**  trans-128.5172.8-172.400000113.8
484K36.3Very low33.6Very low197 Ų197147.7 Ų147.786%0.85778%0.783SS**  trans34130.9157.9-66.5179.4-179.2173.70120.2
485P34.9Very low33.7Very low129 Ų129145.9 Ų145.984%0.83878%0.781SS**  trans-98.6144.7145.934.7-29.2000112.7
486K33.6Very low33.3Very low208 Ų208148.5 Ų148.590%0.90478%0.784SS**  trans-154.2114.7166.4-165.7-167-172.1-165.10107.7
487V29.4Very low32.7Very low141 Ų141149 Ų14986%0.85579%0.789SS**  trans-143.5156.1-173.5-176.10000111
488S29.5Very low32.9Very low104 Ų104144.4 Ų144.473%0.72778%0.783SS**  trans-150.6-174.3-179.2540000108.4
489E32.8Very low34.1Very low134 Ų134144.7 Ų144.763%0.62679%0.786SS**  cis-168.8-175.820.2-152.3-15913500110
490K28.9Very low34.1Very low155 Ų155143.2 Ų143.267%0.67478%0.783SS**  trans71.5162.3153.4-81.8170.4174.467.40119
491P51.9Low35Very low101 Ų101141.5 Ų141.566%0.65677%0.774SS**  cis-141154.7-20.732-12.1000118
492L32.4Very low34.8Very low162 Ų162142.4 Ų142.485%0.84877%0.774SS**  trans66.5160.6146.8-65.9165.7000119.4
493Q31.3Very low34.3Very low167 Ų167142.5 Ų142.578%0.7877%0.772SS**  cis-137.2157.911.4-71.8-176.2-17.300114.7
494T30Very low34.3Very low119 Ų119142.3 Ų142.373%0.7377%0.771SS**  trans23.3150.1147.860.90000123.5
495T28.1Very low34Very low127 Ų127142.2 Ų142.278%0.77977%0.773SS**  cis-151.6151.244.650.60000118.2
496R31.8Very low33.9Very low240 Ų240142.3 Ų142.391%0.90677%0.772SS**  trans-3.4158.2145.5-73.2-179.6175.4172.7-2.7121.4
497S31.5Very low34.6Very low114 Ų114138.8 Ų138.880%0.79777%0.77SS**  cis-171.9166.2-10.548.30000113.2
498N33Very low34.5Very low140 Ų140135.8 Ų135.875%0.74977%0.767SS**  trans-87.6178.6177.6-1321.2000112.5
499P52.9Low34.7Very low113 Ų113137.5 Ų137.573%0.73477%0.774SS**  cis-154.4165.64943.3-21000121.5
500L30.1Very low35.5Very low145 Ų145137.2 Ų137.276%0.75978%0.783SS**  trans5.1172.7132-78.3168.7000123
501P49.1Very low35.7Very low92 Ų92137.4 Ų137.460%0.59778%0.784SS**  cis-145.2-176.2-3.435.8-12.8000119.6
502H29.6Very low35.6Very low181 Ų181138.6 Ų138.684%0.83879%0.792SS**  trans85.3160.1141.2-73.8-38.8000125
503T32.3Very low35.8Very low133 Ų133137.4 Ų137.482%0.81678%0.782SS**  trans-140.6142.1-168.9500000111.3
504A30.8Very low36.7Very low87 Ų87134.5 Ų134.572%0.71978%0.778SS**  trans177.9145.4146.900000115.8
505Q29.3Very low36.8Very low194 Ų194133.6 Ų133.691%0.90778%0.776SS**  trans72.1143.7143.7-70.7168.416.800123.5
506T33.7Very low36.9Very low132 Ų132134.1 Ų134.181%0.8178%0.779SS**  trans-110.3163.1172.251.50000109.1
507P48.4Very low36.9Very low134 Ų134126.8 Ų126.887%0.8777%0.771SS**  -155.8176.878.940.2-19.1000117.2
508G27.2Very low36.7Very low77 Ų77127.2 Ų127.279%0.79477%0.774SS**  trans160.4140.5164.800000116.8
509T33.4Very low36.7Very low141 Ų141129.3 Ų129.387%0.86578%0.779SS**  trans-138.2177.4177.653.30000109.1
510P49.1Very low36.9Very low127 Ų127128.7 Ų128.783%0.82578%0.775SS**  cis-142.1-1561744.8-22.5000117
511K34.3Very low36.8Very low159 Ų159129.9 Ų129.969%0.69178%0.781SS**  trans-73.9171.8-176.6-123.3-167.2-167.2-167.80114E513K511-E513 WeakPolarHBondContact CE-OE1 3.18Å; K511-E513 IonicContact NZ-OE1 3.65Å; K511-E513 PolarHBondContact NZ-OE1 3.48Å
512P50.2Low36Very low126 Ų126129.5 Ų129.582%0.81879%0.786SS**  -144.6-165.258.341.3-19.8000117.8
513E35.1Very low36.7Very low137 Ų137126.5 Ų126.564%0.6478%0.782SS**  trans-115.2175.3-165.6-135.1169.1-87.700110.7K511K511-E513 WeakPolarHBondContact CE-OE1 3.18Å; K511-E513 IonicContact NZ-OE1 3.65Å; K511-E513 PolarHBondContact NZ-OE1 3.48Å
514P51.8Low36.5Very low107 Ų107125.7 Ų125.770%0.69578%0.782SS**  -158.5-17972.742.1-20.6000118.9
515S31.9Very low36.6Very low99 Ų99127 Ų12769%0.69279%0.785SS**  trans70.8140.1150.458.10000120.5
516T29.4Very low37.3Very low138 Ų138124.2 Ų124.285%0.84779%0.785SS**  cis-155.6157.2-12.2-820000109.2
517A31.2Very low37Very low87 Ų87128.6 Ų128.672%0.71979%0.786SS**  trans-100.8167.5-172.600000115.4
518S28.6Very low36.1Very low123 Ų123127.6 Ų127.686%0.8678%0.778SS**  trans177.3153.2131.1-78.80000114.5
519Q33.4Very low36.1Very low184 Ų184135.1 Ų135.186%0.8678%0.782SS**  trans-115-165.5161.1-48-179.1-13.600108
520P56.1Low35.8Very low99 Ų99139.7 Ų139.764%0.64378%0.784SS**  cis-127.6-171.3-24.530.4-9.1000111.9
521L27.1Very low34.8Very low171 Ų171141.7 Ų141.790%0.89578%0.782SS**  trans148.9155.2134.7-81.1159.2000115.2
522A32.2Very low35.9Very low84 Ų84138.8 Ų138.869%0.69478%0.779SS**  trans-111.8178.516500000107.9
523P45.7Very low35.9Very low117 Ų117138.2 Ų138.276%0.7678%0.775SS**  cis-151.9-156.234.744.7-21.8000116.2
524S27.3Very low35.8Very low116 Ų116138.7 Ų138.781%0.81178%0.781SS**  trans101151.8153.7820000119.4
525S33.3Very low34.9Very low114 Ų114139.3 Ų139.380%0.79778%0.783SS**  trans-134.5157178.2-43.10000109.2
526P43.5Very low34.7Very low137 Ų137141.5 Ų141.589%0.8979%0.787SS**  trans-136.7-164.4138.835.2-20.1000114.1
527R27.7Very low34.7Very low223 Ų223144.7 Ų144.784%0.84278%0.783SS**  trans-128156-150.9-115.1-177.1170.9-171.6-1.3113.8
528T29.9Very low34.6Very low113 Ų113149.5 Ų149.569%0.69378%0.783SS**  trans69.1158.4143.957.90000123.6
529R26.9Very low34.7Very low236 Ų236151.1 Ų151.189%0.89178%0.776SS**  trans111.7139.7165.8-62.7161.4-167.8-138.10113.5
530R27.1Very low34.4Very low237 Ų237149.6 Ų149.689%0.89477%0.773SS**  cis-157170.7-12.9-144.5-170.7-177.4-174.80.9112.1
531H28.5Very low33.1Very low169 Ų169153 Ų15378%0.78278%0.78SS**  trans-87.8-169.6166.5-60.5-79.6000112.1
532P57.1Low34.2Very low98 Ų98149.3 Ų149.364%0.63677%0.766SS**  cis-120.3-135.1-4.846.6-29.7000110.2
533P50.3Low34Very low114 Ų114151.6 Ų151.674%0.7477%0.767SS**  cis-67.2-172.8-15.5-2540.5000115.3
534L33Very low33.3Very low147 Ų147153.4 Ų153.477%0.7777%0.765SS**  cis81144.20.2-49-179.2000118.1
535T32Very low33.4Very low120 Ų120155 Ų15574%0.73676%0.764SS**  cis-148.6172.9-6.1-4.50000108.1
536L29.2Very low33.2Very low145 Ų145154.6 Ų154.676%0.75977%0.768SS**  cis-170.5143.245.2-159.2108000113
537R28.9Very low32.9Very low205 Ų205157.6 Ų157.677%0.77477%0.767SS**  trans18.8157143.2-77.4-175.9168.8-177.9-1.7123.9
538R29.6Very low32.9Very low187 Ų187152.6 Ų152.671%0.70677%0.767SS**  cis-175.6141.9-14.7-157-176.8-170.8-171.3-0.4112.9
539H29.7Very low33.2Very low158 Ų158154.1 Ų154.173%0.73178%0.775SS**  trans30.5150.4149.6-63.6-40.1000127.7
540L27.6Very low34.4Very low152 Ų152147.9 Ų147.980%0.79677%0.765SS**  trans95.4113.5143.8-76.2149.9000122.4
541H28.5Very low34.7Very low169 Ų169144 Ų14478%0.78276%0.76SS**  34.5161.6120.2-94.8-92000123
542P50.1Low34.8Very low94 Ų94142.1 Ų142.161%0.6176%0.761SS**  cis-143.1-171.7-143.7-23.7000118
543D27.8Very low33.7Very low132 Ų132147.4 Ų147.471%0.70677%0.774SS**  trans76.2131.2138.7-66.6-22000129.2
544H32Very low32.6Very low155 Ų155145.3 Ų145.372%0.71877%0.773SS**  trans51.7126.1137-80.1-71.8000127.9
545N29.1Very low32.8Very low149 Ų149145 Ų14580%0.79778%0.778SS**  trans33.9125.5131-78.7-21.2000123
546A28.2Very low34Very low106 Ų106144.6 Ų144.688%0.87678%0.777SS**  trans-164.7172.4130.900000112.8
547K36.8Very low34.3Very low201 Ų201143.3 Ų143.387%0.87478%0.775SS**  trans-129152.9175.6-52.4171.6-175.81700111.1
548S28.5Very low34.5Very low118 Ų118141.4 Ų141.483%0.82578%0.775SS**  trans173.8148.1135.140.70000112.8
549V36.6Very low34.8Very low144 Ų144138 Ų13887%0.87378%0.775SS**  trans-156.8128.3177.2-170.10000111.8
550P52.6Low35.9Very low106 Ų106135.7 Ų135.769%0.68877%0.774SS**  trans-139.6-178.6159.541.5-27.1000114.2
551I33.3Very low36.1Very low154 Ų154136.5 Ų136.579%0.7977%0.771SS**  trans70.9154165.1-68.4170.7000113.3
552T30.7Very low36.2Very low130 Ų130134.4 Ų134.480%0.79877%0.766SS**  cis-112.8-129.610.5-32.40000114.2
553K33.9Very low35.5Very low209 Ų209135.4 Ų135.491%0.90978%0.775SS**  trans-158.2157.6-168.8-65.4-178.4176.4177.60111.8
554G27.1Very low36.7Very low70 Ų70135.2 Ų135.272%0.72278%0.781SS**  trans165.5116.9163.900000114.9
555T36.9Very low36.7Very low140 Ų140133.1 Ų133.186%0.85979%0.79SS**  trans-164.8175.7-178.612.40000108.7
556P57.4Low36.7Very low112 Ų112129.6 Ų129.673%0.72779%0.789SS**  cis-124.7-143.92430.3-3.9000113.2
557V35.2Very low36.8Very low118 Ų118131.3 Ų131.372%0.71579%0.789SS**  cis-156.9159.914.7-130.70000114.5
558H33.3Very low37.6Very low165 Ų165126.7 Ų126.776%0.76478%0.779SS**  trans66.4168.3151.3-89.2-59.3000124.2
559T36.1Very low37.7Very low117 Ų117126.5 Ų126.572%0.71878%0.778SS**  trans-157.5-167-150530000108.1
560P51.6Low38.1Very low108 Ų108125.4 Ų125.470%0.70177%0.774SS**  cis-146.21752.245.5-26000119.5
561K32.1Very low37.5Very low169 Ų169126.4 Ų126.474%0.73578%0.778SS**  trans74.9146134-99.4175.6146.5-77.20126.9
562D31Very low37.7Very low126 Ų126124.6 Ų124.667%0.67478%0.777SS**  trans89.2146.2141.6-65.6-26.5000124.6
563S35.1Very low38.4Very low115 Ų115124 Ų12480%0.80477%0.774SS**  trans-146.6155.4-179.4-46.40000109.3
564P52.5Low38.8Very low128 Ų128119.6 Ų119.683%0.83177%0.768SS**  -157163.7111.838.1-18.9000119
565A32.6Very low39.1Very low110 Ų110121.6 Ų121.691%0.90977%0.77SS**  trans15.3146.3151.500000125.6
566G29.1Very low39.4Very low75 Ų75120.4 Ų120.477%0.77377%0.765SS**  trans172.7148.7160.600000115.7
567T30.6Very low38Very low142 Ų142120.2 Ų120.287%0.87177%0.766SS**  trans-153.6-178.2-177.150.50000111.1
568P53.7Low37.8Very low105 Ų105123.1 Ų123.168%0.68278%0.776SS**  cis-135174.1-48.637.6-21.2000116.2
569S31.2Very low37.7Very low114 Ų114119 Ų11980%0.79778%0.779SS**  trans71.6171.7157.6820000118.7
570P45.1Very low37.3Very low121 Ų121116.9 Ų116.979%0.78678%0.779SS**  cis-132-173.30.343-25.4000116.8
571T38.1Very low36.8Very low126 Ų126119.9 Ų119.977%0.77379%0.786SS**  trans-94.6170.8179.2-13.10000113.8
572P39Very low37.5Very low117 Ų117117.3 Ų117.376%0.7679%0.787SS**  -151.1-147.2104.748.8-29.7000114.6
573P45.3Very low38Very low116 Ų116119.6 Ų119.675%0.75379%0.786SS**  trans-132.1-143.9-134.733.3-3.7000115
574P42.8Very low38.1Very low118 Ų118122.9 Ų122.977%0.76678%0.781SS**  -120.7-172.4-72.436.6-20.5000116.9
575S32.1Very low37.5Very low111 Ų111122.8 Ų122.878%0.77678%0.778SS**  trans-38.4178.8172.1-41.30000119.9
576P43.6Very low38.2Very low115 Ų115128.4 Ų128.475%0.74778%0.776SS**  cis-141.8177.37.944.4-26.6000118.2
577S28.3Very low38.6Very low108 Ų108130.7 Ų130.776%0.75577%0.769SS**  176.6121.4124.4-80.20000116.3
578I31.3Very low38.9Very low180 Ų180130.8 Ų130.892%0.92376%0.764SS**  trans22.7127.8140.6-54.1172.1000120.5
579G30Very low38.1Very low79 Ų79130.7 Ų130.781%0.81477%0.766SS**  trans142.1112.1157.200000113.3
580G28.7Very low38.6Very low71 Ų71131.1 Ų131.173%0.73276%0.759SS**  trans-151.9163-177.100000115.2
581M40.1Very low38Very low172 Ų172134 Ų13485%0.84776%0.759SS**  trans-156.1139.5151.4-139.254.5176.100111.2
582P47.3Very low37.9Very low115 Ų115135.1 Ų135.175%0.74776%0.76SS**  trans-106.792-154.337.7-31.5000114.9
583W41.6Very low37.6Very low174 Ų174134.3 Ų134.366%0.65976%0.757SS**SBendtrans-126.1-23.5165.966.7-90.7000115.2
584R37.4Very low37.3Very low184 Ų184137.7 Ų137.769%0.69476%0.76SS**G310 helixtrans-80.9-18.6-173.6-68.4-173.3170.1-171.5-4.4115.2R586R584-R586 PolarHBondContact O-N 3.19Å
585T40.7Very low37.1Very low125 Ų125140.4 Ų140.477%0.76777%0.767SS**G310 helixtrans-76.4-17.2-176.4-29.70000114.1
586R45.3Very low36.8Very low229 Ų229138.5 Ų138.586%0.86477%0.765SS**G310 helixtrans-83-9-177.9-83.1-172170.8-171.9-2.5115.3R584R584-R586 PolarHBondContact O-N 3.19Å
587L39.5Very low36.3Very low123 Ų123138.9 Ų138.964%0.64477%0.77SS**SBendtrans-92.5-13.8-175.3-92.1163.9000115.8
588N36Very low36.4Very low143 Ų143139.7 Ų139.777%0.76577%0.773SS**THydrogen-bonded Turntrans-86.8-9-179.8-78.5-6.2000114.7
589S36.9Very low36.2Very low103 Ų103142 Ų14272%0.7277%0.77SS**THydrogen-bonded Turntrans-91.25.8-176.6-163.90000115.2
590I41Very low36Very low124 Ų124148 Ų14864%0.63677%0.774SS**SBendtrans-104.8-24.3-179.7-64.4176.8000112N592I590-N592 PolarHBondContact O-N 3.41Å
591K33.2Very low36.2Very low182 Ų182153.1 Ų153.179%0.79178%0.779SS**THydrogen-bonded Turntrans-81.4-15.4-167.6-148.6174.2-176.6-178.60115.5
592N36.5Very low36Very low149 Ų149156.6 Ų156.680%0.79778%0.783SS**THydrogen-bonded Turntrans-97.80.4-176.5-74.89.8000115I590I590-N592 PolarHBondContact O-N 3.41Å
593S32.9Very low35.1Very low100 Ų100162.7 Ų162.770%0.69979%0.791SS**SBendtrans-105.18.4-176.1-54.60000114.7
594F37.5Very low34.5Very low187 Ų187164 Ų16482%0.8280%0.801SS**SBendtrans-128.23.7-171.4-109.2-82.6000116.3
595L39.8Very low33.9Very low175 Ų175163.9 Ų163.992%0.91681%0.81SS**  trans-13092.5173.5-78.4171000110
596G25.2Very low33.3Very low71 Ų71166.7 Ų166.773%0.73282%0.815SS**  trans-166.844.3-172.600000114.4P598G596-P598 WeakPolarHBondContact O-CD 3.3Å
597S34Very low32.5Very low122 Ų122161.4 Ų161.485%0.85381%0.808SS**PPolyproline II helixtrans-84.5121.9176.5-57.90000112.7
598P29.7Very low31.9Very low125 Ų125160.4 Ų160.481%0.81281%0.809SS**PPolyproline II helixtrans-86.8136160.6-7.428000110.3G596G596-P598 WeakPolarHBondContact O-CD 3.3Å
599R27.4Very low31.8Very low230 Ų230158.5 Ų158.587%0.86880%0.802SS**PPolyproline II helixtrans-65.3154.6-173.7-54.9160.5-151.8148.46.9112.1H601R599-H601 PolarHBondContact O-N 3.07Å
600F26.3Very low31.6Very low204 Ų204162.5 Ų162.590%0.89581%0.809SS**  trans-44.6135.5163.1-81.8-98000112
601H31.1Very low31.3Very low179 Ų179164.2 Ų164.283%0.82982%0.815SS**  trans-125.4115.8152.9-9567.8000109.3R599 R603R599-H601 PolarHBondContact O-N 3.07Å; H601-R603 PolarHBondContact O-N 3.32Å
602R36.3Very low31.1Very low245 Ų245162.1 Ų162.193%0.92581%0.812SS**  trans-80.893.3-174-176.3-173.9-172.6-177.54110.4
603R29.3Very low30.9Very low243 Ų243163.5 Ų163.592%0.91782%0.816SS**PPolyproline II helixtrans-84.8145.8159.1-78.8-175.3171166.8-1.7109.8H601H601-R603 PolarHBondContact O-N 3.32Å
604K27.8Very low30.9Very low201 Ų201163.5 Ų163.587%0.87482%0.816SS**PPolyproline II helixtrans-68.7148.7-174-63.4176.4179.3177.40110.2Q606K604-Q606 PolarHBondContact O-N 2.95Å
605M25.9Very low30.5Very low181 Ų181160.2 Ų160.289%0.89282%0.816SS**PPolyproline II helixtrans-69120.4158.7-66.3-161.8-60.700108.1
606Q27.3Very low29.9Very low184 Ų184159.8 Ų159.886%0.8681%0.814SS**PPolyproline II helixtrans-77.7129.2153.2-164.8100.71.200105.7K604 P608K604-Q606 PolarHBondContact O-N 2.95Å; Q606-P608 WeakPolarHBondContact O-CD 3.44Å
607V28.5Very low30.1Very low119 Ų119162.2 Ų162.272%0.72182%0.815SS**PPolyproline II helixtrans-81122.9173.5178.90000107.4T609V607-T609 PolarHBondContact O-N 2.92Å
608P28Very low30.2Very low102 Ų102162.8 Ų162.866%0.66282%0.816SS**PPolyproline II helixtrans-62.8133.6170.2-19.833.1000109.8Q606Q606-P608 WeakPolarHBondContact O-CD 3.44Å
609T34Very low30.1Very low102 Ų102163.4 Ų163.463%0.62681%0.812SS**PPolyproline II helixtrans-73162.1177.531.70000111.6V607 E611V607-T609 PolarHBondContact O-N 2.92Å; T609-E611 PolarHBondContact O-N 3.32Å
610Q31.6Very low30.3Very low187 Ų187157.4 Ų157.487%0.87481%0.806SS**THydrogen-bonded Turntrans-69.11.7-164.2-161.2170.6-60.600115.4
611E33.9Very low30.4Very low161 Ų161152.8 Ų152.875%0.75280%0.798SS**THydrogen-bonded Turntrans-94.6-25.4-169.9-65.7170.2-179.900113T609 M613T609-E611 PolarHBondContact O-N 3.32Å; E611-M613 PolarHBondContact O-N 3.04Å
612D31Very low30.6Very low137 Ų137149.5 Ų149.573%0.73379%0.793SS**THydrogen-bonded Turntrans-74.38-179-70.3-35.1000114.5
613M31.4Very low30.3Very low179 Ų179143.6 Ų143.688%0.88278%0.776SS**THydrogen-bonded Turntrans-120.35.8-171.3-82.2-100.2171.700114.5E611E611-M613 PolarHBondContact O-N 3.04Å
614S33.1Very low30.5Very low99 Ų99140.4 Ų140.469%0.69278%0.776SS**  trans-13450.8-169.755.60000115.6
615S28.4Very low30.7Very low119 Ų119135 Ų13583%0.83277%0.769SS**  trans-143.3146.6158.960.70000111.6
616L27.7Very low30.9Very low165 Ų165133 Ų13386%0.86476%0.755SS**  trans-86.6145.9-177.3-62.5165.1000109.1
617T28.8Very low31.1Very low123 Ų123133.6 Ų133.676%0.75576%0.755SS**  -151167.771.242.10000113.2D619T617-D619 PolarHBondContact O-N 3.47Å; T617-D619 VanDerWaalsContact O-N 3.11Å
618P36.9Very low31.2Very low133 Ų133130.2 Ų130.286%0.86474%0.736SS**  trans-88.570.7-168.836.5-37.6000114.4
619D28.2Very low31.4Very low139 Ų139134.6 Ų134.674%0.74374%0.74SS**  trans-139.3154.4163.2-150.5-43000111.7T617T617-D619 PolarHBondContact O-N 3.47Å; T617-D619 VanDerWaalsContact O-N 3.11Å
620S31Very low31.2Very low104 Ų104131.1 Ų131.173%0.72772%0.716SS**  trans57.581.4161.4-68.90000118.6
621S27Very low31Very low106 Ų106124.8 Ų124.874%0.74170%0.701SS**  trans-145.8104.6149.3-169.90000112.4
622P36Very low30.7Very low110 Ų110122.4 Ų122.471%0.71469%0.693SS**  trans-93.63.5-170.936-36.3000115.2
623E29.3Very low30.6Very low121 Ų121122.3 Ų122.357%0.56569%0.687SS**THydrogen-bonded Turntrans-78-26-161.3-77.8-94.780.800115.8K626E623-K626 WeakPolarHBondContact O-CD 3.26Å; E623-K626 VanDerWaalsContact O-CE 3.29Å; E623-K626 WeakPolarHBondContact O-CE 3.23Å; E623-K626 IonicContact OE1-NZ 2.76Å; E623-K626 PolarHBondContact OE1-NZ 2.92Å
624L34Very low30.7Very low176 Ų176119.9 Ų119.992%0.92168%0.676SS**THydrogen-bonded Turntrans-92.6-0.9-172-72.2172.8000115.3K626L624-K626 PolarHBondContact O-N 3.49Å
625A32.9Very low30.4Very low88 Ų88120.6 Ų120.673%0.72767%0.672SS**  trans-772.9-178.900000115K627A625-K627 PolarHBondContact O-N 2.77Å
626K29.6Very low30.6Very low139 Ų139120.3 Ų120.360%0.60466%0.66SS**THydrogen-bonded Turntrans-75.626.2-164.3-63.8172.5-174.8163.50116E623 L624E623-K626 WeakPolarHBondContact O-CD 3.26Å; E623-K626 VanDerWaalsContact O-CE 3.29Å; E623-K626 WeakPolarHBondContact O-CE 3.23Å; E623-K626 IonicContact OE1-NZ 2.76Å; E623-K626 PolarHBondContact OE1-NZ 2.92Å; L624-K626 PolarHBondContact O-N 3.49Å
627K32.7Very low31Very low197 Ų197116.4 Ų116.486%0.85764%0.638SS**THydrogen-bonded Turntrans-141.527.3-174-76.1-161.8174.8-174.80117.5A625A625-K627 PolarHBondContact O-N 2.77Å
628S30Very low31.7Very low47 Ų47115 Ų11533%0.32962%0.621SS.*  trans-129.2121148.6170.40000107.8F630 G631S628-F630 VanDerWaalsContact C-N 3.28Å; S628-F630 PolarHBondContact O-N 3.03Å; S628-G631 PolarHBondContact O-N 3.25Å
629W32.4Very low32.3Very low195 Ų195113 Ų11374%0.73960%0.6SS**G310 helixtrans-80.1-8.6-175.5-101.138.8000113.8V109 G631V109-W629 HydrophobicContact CG1-CE3 4.32Å; W629-G631 VanDerWaalsContact C-N 3.32Å
630F29.6Very low33.7Very low29 Ų29111.9 Ų111.913%0.12759%0.591CS.*G310 helixtrans-81.7-4.8167.3-103.5-14.1000114.3F105 E146 S628 N632 F633 I634F105-F630 HydrophobicContact CB-CD2 4.33Å; F105-F630 HydrophobicContact CB-CE2 4.09Å; F105-F630 HydrophobicContact CD1-CB 4.34Å; F105-F630 HydrophobicContact CD1-CD1 4.07Å; F105-F630 AromaticContact CD1-CD2 3.24Å; F105-F630 HydrophobicContact CD1-CD2 3.24Å; F105-F630 HydrophobicContact CD1-CE1 4.23Å; F105-F630 AromaticContact CD1-CE2 3.43Å; F105-F630 HydrophobicContact CD1-CE2 3.43Å; F105-F630 VanDerWaalsContact CD1-CE2 3.43Å; F105-F630 AromaticContact CD1-CG 3.61Å; F105-F630 HydrophobicContact CD1-CG 3.61Å; F105-F630 AromaticContact CD1-CZ 3.94Å; F105-F630 HydrophobicContact CD1-CZ 3.94Å; F105-F630 HydrophobicContact CD2-CD2 4.18Å; F105-F630 HydrophobicContact CD2-CE1 4.3Å; F105-F630 AromaticContact CD2-CE2 3.44Å; F105-F630 HydrophobicContact CD2-CE2 3.44Å; F105-F630 VanDerWaalsContact CD2-CE2 3.44Å; F105-F630 AromaticContact CD2-CZ 3.53Å; F105-F630 HydrophobicContact CD2-CZ 3.53Å; F105-F630 HydrophobicContact CE1-CB 4.18Å; F105-F630 AromaticContact CE1-CD1 3.36Å; F105-F630 HydrophobicContact CE1-CD1 3.36Å; F105-F630 AromaticContact CE1-CD2 3.47Å; F105-F630 HydrophobicContact CE1-CD2 3.47Å; F105-F630 VanDerWaalsContact CE1-CD2 3.47Å; F105-F630 AromaticContact CE1-CE1 3.53Å; F105-F630 HydrophobicContact CE1-CE1 3.53Å; F105-F630 AromaticContact CE1-CE2 3.62Å; F105-F630 HydrophobicContact CE1-CE2 3.62Å; F105-F630 AromaticContact CE1-CG 3.35Å; F105-F630 HydrophobicContact CE1-CG 3.35Å; F105-F630 AromaticContact CE1-CZ 3.67Å; F105-F630 HydrophobicContact CE1-CZ 3.67Å; F105-F630 HydrophobicContact CE2-CD1 4.35Å; F105-F630 HydrophobicContact CE2-CD2 4.38Å; F105-F630 AromaticContact CE2-CE1 3.64Å; F105-F630 HydrophobicContact CE2-CE1 3.64Å; F105-F630 AromaticContact CE2-CE2 3.66Å; F105-F630 HydrophobicContact CE2-CE2 3.66Å; F105-F630 AromaticContact CE2-CZ 3.25Å; F105-F630 HydrophobicContact CE2-CZ 3.25Å; F105-F630 AromaticContact CG-CD2 3.62Å; F105-F630 HydrophobicContact CG-CD2 3.62Å; F105-F630 AromaticContact CG-CE2 3.32Å; F105-F630 HydrophobicContact CG-CE2 3.32Å; F105-F630 HydrophobicContact CG-CG 4.38Å; F105-F630 AromaticContact CG-CZ 3.87Å; F105-F630 HydrophobicContact CG-CZ 3.87Å; F105-F630 AromaticContact CZ-CD1 3.54Å; F105-F630 HydrophobicContact CZ-CD1 3.54Å; F105-F630 HydrophobicContact CZ-CD2 4.05Å; F105-F630 AromaticContact CZ-CE1 3.19Å; F105-F630 HydrophobicContact CZ-CE1 3.19Å; F105-F630 AromaticContact CZ-CE2 3.74Å; F105-F630 HydrophobicContact CZ-CE2 3.74Å; F105-F630 AromaticContact CZ-CG 3.98Å; F105-F630 HydrophobicContact CZ-CG 3.98Å; F105-F630 AromaticContact CZ-CZ 3.31Å; F105-F630 HydrophobicContact CZ-CZ 3.31Å; E146-F630 VanDerWaalsContact CD-CE2 3.49Å; E146-F630 HydrophobicContact CG-CD2 3.61Å; E146-F630 HydrophobicContact CG-CE2 3.67Å; E146-F630 WeakPolarHBondContact OE1-CE2 3.36Å; S628-F630 VanDerWaalsContact C-N 3.28Å; S628-F630 PolarHBondContact O-N 3.03Å; F630-N632 PolarHBondContact O-N 3.22Å; F630-F633 HydrophobicContact CD1-CB 3.75Å; F630-F633 HydrophobicContact CD1-CG 4.42Å; F630-F633 HydrophobicContact CE1-CB 4.1Å; F630-F633 PolarHBondContact O-N 3.43Å; F630-I634 HydrophobicContact CB-CD1 4.25Å; F630-I634 HydrophobicContact CB-CG1 4.12Å; F630-I634 HydrophobicContact CG-CG1 4.48Å; F630-I634 PolarHBondContact O-N 2.95Å; F630-I634 VanDerWaalsContact O-N 3.15Å
631G27.2Very low35.2Very low53 Ų53110.8 Ų110.855%0.54657%0.574SS.*G310 helixtrans-60.2-5.6175.100000116.1S628 W629S628-G631 PolarHBondContact O-N 3.25Å; W629-G631 VanDerWaalsContact C-N 3.32Å
632N27.6Very low37.5Very low111 Ų111107 Ų10759%0.59455%0.545SS*.G310 helixtrans-106.4-7.8170.5-75.1-37.6000114.4F630F630-N632 PolarHBondContact O-N 3.22Å
633F28.4Very low39.4Very low136 Ų136107.2 Ų107.260%0.59654%0.535SS*.THydrogen-bonded Turntrans-110.7-37.2-177.5-94.3-83.7000113.4F630 N635 L636F630-F633 HydrophobicContact CD1-CB 3.75Å; F630-F633 HydrophobicContact CD1-CG 4.42Å; F630-F633 HydrophobicContact CE1-CB 4.1Å; F630-F633 PolarHBondContact O-N 3.43Å; F633-N635 PolarHBondContact O-N 3.44Å; F633-L636 HydrophobicContact CD1-CD2 4.22Å; F633-L636 HydrophobicContact CE1-CD2 4.13Å; F633-L636 WeakPolarHBondContact O-CB 3.49Å; F633-L636 PolarHBondContact O-N 2.83Å; F633-L636 VanDerWaalsContact O-N 3.12Å
634I32.8Very low41.9Very low127 Ų127101.7 Ų101.765%0.65151%0.51SS*.THydrogen-bonded Turntrans-73.820171.7-23.9177.8000112.6F630F630-I634 HydrophobicContact CB-CD1 4.25Å; F630-I634 HydrophobicContact CB-CG1 4.12Å; F630-I634 HydrophobicContact CG-CG1 4.48Å; F630-I634 PolarHBondContact O-N 2.95Å; F630-I634 VanDerWaalsContact O-N 3.15Å
635N28.3Very low44.1Very low114 Ų11496.9 Ų96.961%0.6149%0.487SS*.THydrogen-bonded Turntrans-13528.5173.8-157-6.7000110.5F633F633-N635 PolarHBondContact O-N 3.44Å
636L31.9Very low46.3Very low113 Ų11393 Ų9359%0.59245%0.454SS*.  trans-130.351.3-172-149.381.1000111.9F633F633-L636 HydrophobicContact CD1-CD2 4.22Å; F633-L636 HydrophobicContact CE1-CD2 4.13Å; F633-L636 WeakPolarHBondContact O-CB 3.49Å; F633-L636 PolarHBondContact O-N 2.83Å; F633-L636 VanDerWaalsContact O-N 3.12Å
637E36.3Very low48.8Very low83 Ų8394.1 Ų94.139%0.38845%0.454SS..SBendtrans-149.61.4174.3-135.1178.8-127.200115.9
638K42.6Very low50.8Low94 Ų9489.7 Ų89.741%0.40944%0.44SS..SBendtrans-138.52.9-172.9-75.2-166.4175.6171.10119.2P758K638-P758 HydrophobicContact CD-CB 4.42Å; K638-P758 PolarHBondContact NZ-O 3.47Å
639E50.2Low53.2Low91 Ų9188.4 Ų88.443%0.42543%0.429SS..  trans-134.740.3-176.5-70.8-177.4-103.800114Q641 K731E639-Q641 VanDerWaalsContact C-N 3.31Å; E639-K731 IonicContact OE1-NZ 2.79Å; E639-K731 PolarHBondContact OE1-NZ 2.88Å; E639-K731 WeakPolarHBondContact OE2-CD 3.42Å; E639-K731 WeakPolarHBondContact OE2-CE 3.45Å; E639-K731 IonicContact OE2-NZ 2.58Å; E639-K731 PolarHBondContact OE2-NZ 2.92Å
640E57.3Low55.6Low115 Ų11582.4 Ų82.454%0.53742%0.415SS..SBendtrans-79.7-18151.8-65.3-153.4129.400112.1F721 F722E640-F721 CarbonylContact O-C 3.58Å; E640-F722 WeakPolarHBondContact O-CB 3.38Å; E640-F722 PolarHBondContact O-N 3.13Å
641Q61.8Low58.1Low81 Ų8183.3 Ų83.338%0.37942%0.421SS..EExtended strand (participates in β ladder)trans-129.6121.1179.7-62.517726.800108.9E639 F643 L720 F721E639-Q641 VanDerWaalsContact C-N 3.31Å; Q641-F643 HydrophobicContact CB-CE2 3.83Å; Q641-F643 HydrophobicContact CB-CZ 3.9Å; Q641-L720 WeakPolarHBondContact CA-O 3.4Å; Q641-F721 HydrophobicContact CG-CD1 3.54Å; Q641-F721 HydrophobicContact CG-CE1 3.88Å; Q641-F721 HydrophobicContact CG-CG 4.26Å
642I76.7Confident60.7Low28 Ų2884.9 Ų84.914%0.14442%0.424CS..EExtended strand (participates in β ladder)trans-107.1130.1174.5-61171.4000107.9L720 F730 K731 V734I642-L720 HydrophobicContact CB-CB 4.36Å; I642-L720 PolarHBondContact N-O 3.38Å; I642-L720 WeakPolarHBondContact O-CD1 3.27Å; I642-L720 PolarHBondContact O-N 3.42Å; I642-F730 HydrophobicContact CD1-CD1 4.39Å; I642-F730 HydrophobicContact CD1-CE1 3.66Å; I642-F730 HydrophobicContact CD1-CZ 4.07Å; I642-F730 HydrophobicContact CG1-CE1 4.14Å; I642-F730 HydrophobicContact CG1-CZ 4.43Å; I642-K731 HydrophobicContact CD1-CG 4.46Å; I642-V734 HydrophobicContact CB-CG1 4.03Å; I642-V734 HydrophobicContact CD1-CB 3.9Å; I642-V734 HydrophobicContact CD1-CG1 3.74Å; I642-V734 HydrophobicContact CD1-CG2 4.16Å; I642-V734 HydrophobicContact CG1-CG1 4.49Å; I642-V734 HydrophobicContact CG2-CG1 3.7Å
643F76Confident63.5Low114 Ų11481.3 Ų81.350%0.541%0.407SS..EExtended strand (participates in β ladder)trans-108123.9-176.4-61.7-86.3000110.4Q641 L718 C719Q641-F643 HydrophobicContact CB-CE2 3.83Å; Q641-F643 HydrophobicContact CB-CZ 3.9Å; F643-L718 WeakPolarHBondContact CA-O 3.45Å; F643-C719 HydrophobicContact CD1-CB 4.23Å; F643-C719 VanDerWaalsContact CD1-SG 3.6Å; F643-C719 HydrophobicContact CE1-CB 4.07Å; F643-C719 VanDerWaalsContact CE1-SG 3.55Å
644I81.7Confident66.2Low5 Ų574.9 Ų74.93%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-114.6113.7173.9-52.5171.8000108I646 L718 L720 Q738 L741I644-I646 HydrophobicContact CG2-CG1 4.37Å; I644-L718 HydrophobicContact CB-CB 4.25Å; I644-L718 PolarHBondContact N-O 3.39Å; I644-L718 PolarHBondContact O-N 2.78Å; I644-L720 HydrophobicContact CD1-CD1 3.63Å; I644-L720 HydrophobicContact CG1-CD1 3.86Å; I644-Q738 HydrophobicContact CD1-CB 3.69Å; I644-Q738 HydrophobicContact CD1-CG 4Å; I644-Q738 HydrophobicContact CG1-CB 4.39Å; I644-Q738 HydrophobicContact CG1-CG 4.21Å; I644-Q738 HydrophobicContact CG2-CG 4.37Å; I644-L741 HydrophobicContact CD1-CD1 3.79Å; I644-L741 HydrophobicContact CG2-CD1 4.41Å
645V79.6Confident68.7Low74 Ų7471.4 Ų71.445%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-85.4124.9175.7179.30000109R647 I715 Y716V645-R647 HydrophobicContact CG1-CG 4.28Å; V645-I715 HydrophobicContact CG1-CG2 3.87Å; V645-Y716 WeakPolarHBondContact CA-O 3.36Å
646I80.1Confident71.4Confident8 Ų868.7 Ų68.74%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-114.8136.5172-58.1-177.2000107.9I644 K649 I654 Y716 L718 L741I644-I646 HydrophobicContact CG2-CG1 4.37Å; I646-K649 HydrophobicContact CG2-CB 3.98Å; I646-K649 HydrophobicContact CG2-CD 3.9Å; I646-K649 HydrophobicContact CG2-CG 4.16Å; I646-I654 HydrophobicContact CB-CD1 4.18Å; I646-I654 HydrophobicContact CD1-CG1 4.36Å; I646-I654 HydrophobicContact CD1-CG2 4.22Å; I646-I654 HydrophobicContact CG2-CD1 3.88Å; I646-I654 HydrophobicContact CG2-CG1 4.04Å; I646-Y716 PolarHBondContact N-O 3.21Å; I646-Y716 PolarHBondContact O-N 2.96Å; I646-Y716 VanDerWaalsContact O-O 3.09Å; I646-L718 HydrophobicContact CD1-CD1 3.72Å; I646-L718 HydrophobicContact CD1-CD2 3.93Å; I646-L718 HydrophobicContact CG1-CD1 4.06Å; I646-L741 HydrophobicContact CD1-CB 4.41Å; I646-L741 HydrophobicContact CD1-CD2 4.19Å
647R80.4Confident74.1Confident161 Ų16164.9 Ų64.961%0.60833%0.333SS*.EExtended strand (participates in β ladder)trans-121.9157.2176.5-54.3-174.9179.9165.9-0.3109V645 K649 I715V645-R647 HydrophobicContact CG1-CG 4.28Å; R647-K649 PolarHBondContact O-N 2.97Å; R647-I715 HydrophobicContact CG-CG1 4.25Å; R647-I715 HydrophobicContact CG-CG2 4.45Å
648D75.7Confident76.6Confident105 Ų10561 Ų6156%0.56132%0.315SS*.SBendtrans57.622.1166-50.9-64.2000114.9N713 G714D648-N713 PolarHBondContact OD1-ND2 3.03Å; D648-G714 PolarHBondContact N-O 2.86Å
649K79.7Confident78.8Confident20 Ų2058.5 Ų58.59%0.08731%0.308CS..  trans-119.5135.9170.2-72.1-173.8173.4-1790110I646 R647 I654 D657 L741 S744I646-K649 HydrophobicContact CG2-CB 3.98Å; I646-K649 HydrophobicContact CG2-CD 3.9Å; I646-K649 HydrophobicContact CG2-CG 4.16Å; R647-K649 PolarHBondContact O-N 2.97Å; K649-I654 HydrophobicContact CB-CD1 4.24Å; K649-I654 HydrophobicContact CB-CG1 3.86Å; K649-D657 IonicContact NZ-OD2 3.32Å; K649-D657 PolarHBondContact NZ-OD2 2.99Å; K649-L741 PolarHBondContact NZ-O 2.85Å; K649-S744 PolarHBondContact NZ-OG 2.93Å
650P83.2Confident80.6Confident69 Ų6960.4 Ų60.445%0.44832%0.316SS..  trans-70151.2174.129.6-34.4000111.1S652 S653 I654P650-S652 PolarHBondContact O-N 3.1Å; P650-S653 PolarHBondContact O-N 3.31Å; P650-I654 PolarHBondContact O-N 3.35Å; P650-I654 VanDerWaalsContact O-N 3.07Å
651L81.6Confident82.2Confident47 Ų4755 Ų5525%0.24629%0.291CS..Hα-helixtrans-55.2-27.7-178.4-179.459.8000113.7K655 I701 Y716L651-K655 HydrophobicContact CG-CD 4.33Å; L651-K655 WeakPolarHBondContact O-CD 3.26Å; L651-K655 WeakPolarHBondContact O-CG 3.39Å; L651-K655 PolarHBondContact O-N 3.11Å; L651-K655 VanDerWaalsContact O-N 3.15Å; L651-I701 HydrophobicContact CD1-CB 4.41Å; L651-I701 HydrophobicContact CD1-CD1 3.84Å; L651-I701 HydrophobicContact CD1-CG2 3.8Å; L651-Y716 HydrophobicContact CB-CE1 4.08Å; L651-Y716 HydrophobicContact CD1-CD1 4.32Å; L651-Y716 HydrophobicContact CD1-CE1 4.05Å; L651-Y716 HydrophobicContact CG-CE1 4.44Å
652S83.4Confident83.7Confident87 Ų8751.1 Ų51.161%0.60827%0.273SS*.Hα-helixtrans-66.3-46.1173.245.70000112.9P650 K655 A656P650-S652 PolarHBondContact O-N 3.1Å; S652-K655 PolarHBondContact O-N 2.78Å; S652-A656 PolarHBondContact O-N 2.72Å; S652-A656 VanDerWaalsContact O-N 3.12Å
653S84.9Confident84.3Confident36 Ų3655.9 Ų55.925%0.25230%0.298SS..Hα-helixtrans-64.3-45.1174.1161.50000110.8P650 K655 A656 D657P650-S653 PolarHBondContact O-N 3.31Å; S653-K655 VanDerWaalsContact C-N 3.26Å; S653-K655 PolarHBondContact O-N 2.66Å; S653-A656 WeakPolarHBondContact O-CB 3.49Å; S653-A656 PolarHBondContact O-N 3.05Å; S653-D657 PolarHBondContact O-N 3.14Å
654I86Confident84.8Confident0 Ų052.9 Ų52.90%029%0.291CS..Hα-helixtrans-56.3-41.7178.1-66.1176.9000111.4I646 K649 P650 I658 I701 Y716 L718I646-I654 HydrophobicContact CB-CD1 4.18Å; I646-I654 HydrophobicContact CD1-CG1 4.36Å; I646-I654 HydrophobicContact CD1-CG2 4.22Å; I646-I654 HydrophobicContact CG2-CD1 3.88Å; I646-I654 HydrophobicContact CG2-CG1 4.04Å; K649-I654 HydrophobicContact CB-CD1 4.24Å; K649-I654 HydrophobicContact CB-CG1 3.86Å; P650-I654 PolarHBondContact O-N 3.35Å; P650-I654 VanDerWaalsContact O-N 3.07Å; I654-I658 HydrophobicContact CG2-CD1 3.88Å; I654-I658 WeakPolarHBondContact O-CD1 3.24Å; I654-I658 WeakPolarHBondContact O-CG1 3.43Å; I654-I658 PolarHBondContact O-N 2.97Å; I654-I701 HydrophobicContact CG2-CD1 4.04Å; I654-Y716 HydrophobicContact CD1-CD1 4.45Å; I654-Y716 HydrophobicContact CD1-CD2 3.41Å; I654-Y716 VanDerWaalsContact CD1-CD2 3.41Å; I654-Y716 HydrophobicContact CD1-CE2 4.13Å; I654-Y716 HydrophobicContact CD1-CG 3.6Å; I654-L718 HydrophobicContact CG2-CD1 3.92Å
655K85.5Confident85.2Confident54 Ų5453.3 Ų53.324%0.23529%0.293CS..Hα-helixtrans-64.9-42.2175.1-72.5164.1178.5178.30112.7L651 S652 S653 V659 Q675 F678 I701L651-K655 HydrophobicContact CG-CD 4.33Å; L651-K655 WeakPolarHBondContact O-CD 3.26Å; L651-K655 WeakPolarHBondContact O-CG 3.39Å; L651-K655 PolarHBondContact O-N 3.11Å; L651-K655 VanDerWaalsContact O-N 3.15Å; S652-K655 PolarHBondContact O-N 2.78Å; S653-K655 VanDerWaalsContact C-N 3.26Å; S653-K655 PolarHBondContact O-N 2.66Å; K655-V659 WeakPolarHBondContact O-CG2 3.48Å; K655-V659 PolarHBondContact O-N 2.89Å; K655-Q675 WeakPolarHBondContact CE-O 3.33Å; K655-Q675 PolarHBondContact NZ-O 3.21Å; K655-F678 HydrophobicContact CB-CZ 4.44Å; K655-F678 HydrophobicContact CG-CZ 4.2Å; K655-I701 HydrophobicContact CG-CD1 4.04Å
656A85.6Confident85.5Confident58 Ų5854.6 Ų54.648%0.47930%0.303SS..Hα-helixtrans-63.1-46.6177.300000111.2S652 S653 I658 V659 H660S652-A656 PolarHBondContact O-N 2.72Å; S652-A656 VanDerWaalsContact O-N 3.12Å; S653-A656 WeakPolarHBondContact O-CB 3.49Å; S653-A656 PolarHBondContact O-N 3.05Å; A656-I658 PolarHBondContact O-N 3.15Å; A656-V659 PolarHBondContact O-N 3.45Å; A656-H660 WeakPolarHBondContact O-CB 3.35Å; A656-H660 PolarHBondContact O-N 3.33Å
657D87Confident85.8Confident33 Ų3357 Ų5718%0.17632%0.32CS..Hα-helixtrans-62.6-41.1178.9-63.68.8000111.5K649 S653 H660 A661 L741 S744K649-D657 IonicContact NZ-OD2 3.32Å; K649-D657 PolarHBondContact NZ-OD2 2.99Å; S653-D657 PolarHBondContact O-N 3.14Å; D657-H660 PolarHBondContact O-N 3.36Å; D657-A661 VanDerWaalsContact O-CB 3.28Å; D657-A661 WeakPolarHBondContact O-CB 3.46Å; D657-A661 PolarHBondContact O-N 3.25Å; D657-L741 HydrophobicContact CB-CD2 3.74Å; D657-S744 PolarHBondContact OD2-OG 3.37Å
658I89.8Confident86.4Confident1 Ų150.3 Ų50.31%0.00530%0.296CS..Hα-helixtrans-61.1-48.4173.8-69.9163.4000111.2I654 A656 H660 A661 F662 F678 I701 L718 L741I654-I658 HydrophobicContact CG2-CD1 3.88Å; I654-I658 WeakPolarHBondContact O-CD1 3.24Å; I654-I658 WeakPolarHBondContact O-CG1 3.43Å; I654-I658 PolarHBondContact O-N 2.97Å; A656-I658 PolarHBondContact O-N 3.15Å; I658-H660 VanDerWaalsContact C-N 3.35Å; I658-H660 PolarHBondContact O-N 2.97Å; I658-A661 PolarHBondContact O-N 2.89Å; I658-F662 HydrophobicContact CG2-CD2 3.94Å; I658-F662 HydrophobicContact CG2-CE1 4.33Å; I658-F662 HydrophobicContact CG2-CE2 3.39Å; I658-F662 HydrophobicContact CG2-CZ 3.62Å; I658-F662 WeakPolarHBondContact O-CG 3.36Å; I658-F662 PolarHBondContact O-N 3.47Å; I658-F678 HydrophobicContact CD1-CE2 4.29Å; I658-F678 HydrophobicContact CG2-CD2 4.28Å; I658-F678 HydrophobicContact CG2-CE2 4.32Å; I658-F678 HydrophobicContact CG2-CG 4.49Å; I658-I701 HydrophobicContact CD1-CD1 3.73Å; I658-I701 HydrophobicContact CD1-CG1 4.01Å; I658-L718 HydrophobicContact CD1-CD2 3.67Å; I658-L718 HydrophobicContact CD1-CG 4.11Å; I658-L718 HydrophobicContact CG1-CD2 3.77Å; I658-L741 HydrophobicContact CG1-CD2 3.91Å
659V89.3Confident87.1Confident42 Ų4248 Ų4826%0.25529%0.288SS..Hα-helixtrans-65.3-40.2-179.31700000110.8K655 A656 F662 L663 F678K655-V659 WeakPolarHBondContact O-CG2 3.48Å; K655-V659 PolarHBondContact O-N 2.89Å; A656-V659 PolarHBondContact O-N 3.45Å; V659-F662 PolarHBondContact O-N 3Å; V659-L663 HydrophobicContact CG1-CD1 3.98Å; V659-L663 WeakPolarHBondContact O-CG 3.49Å; V659-L663 PolarHBondContact O-N 2.99Å; V659-F678 HydrophobicContact CG2-CE1 3.85Å; V659-F678 HydrophobicContact CG2-CZ 4.43Å
660H87.2Confident87.8Confident131 Ų13150 Ų5061%0.60630%0.298SS*.Hα-helixtrans-61.4-44.4173.4-171.7-90.1000111.6A656 D657 I658 F662 L663 S664A656-H660 WeakPolarHBondContact O-CB 3.35Å; A656-H660 PolarHBondContact O-N 3.33Å; D657-H660 PolarHBondContact O-N 3.36Å; I658-H660 VanDerWaalsContact C-N 3.35Å; I658-H660 PolarHBondContact O-N 2.97Å; H660-F662 VanDerWaalsContact C-N 3.28Å; H660-F662 PolarHBondContact O-N 2.98Å; H660-L663 PolarHBondContact O-N 2.69Å; H660-S664 WeakPolarHBondContact O-CB 3.27Å; H660-S664 PolarHBondContact O-N 3.18Å; H660-S664 PolarHBondContact O-OG 3.47Å
661A90.8Very high88.2Confident0 Ų049.9 Ų49.90%030%0.299CS..Hα-helixtrans-66.6-24.3175.800000114D657 I658 S664 I665 I737 Q740D657-A661 VanDerWaalsContact O-CB 3.28Å; D657-A661 WeakPolarHBondContact O-CB 3.46Å; D657-A661 PolarHBondContact O-N 3.25Å; I658-A661 PolarHBondContact O-N 2.89Å; A661-S664 PolarHBondContact O-OG 2.95Å; A661-I665 WeakPolarHBondContact O-CD1 3.34Å; A661-I665 WeakPolarHBondContact O-CG1 3.12Å; A661-I737 HydrophobicContact CB-CB 4.44Å; A661-I737 HydrophobicContact CB-CG1 4.44Å; A661-I737 HydrophobicContact CB-CG2 4.05Å; A661-Q740 HydrophobicContact CB-CB 4.23Å
662F92.8Very high88.7Confident1 Ų152.2 Ų52.20%0.00432%0.315CS..Hα-helixtrans-77.6-37.3169.7-69-26.7000112.8I658 V659 H660 L668 H670 F678 A680 F697 V699 I737I658-F662 HydrophobicContact CG2-CD2 3.94Å; I658-F662 HydrophobicContact CG2-CE1 4.33Å; I658-F662 HydrophobicContact CG2-CE2 3.39Å; I658-F662 HydrophobicContact CG2-CZ 3.62Å; I658-F662 WeakPolarHBondContact O-CG 3.36Å; I658-F662 PolarHBondContact O-N 3.47Å; V659-F662 PolarHBondContact O-N 3Å; H660-F662 VanDerWaalsContact C-N 3.28Å; H660-F662 PolarHBondContact O-N 2.98Å; F662-L668 HydrophobicContact CB-CD2 3.7Å; F662-L668 HydrophobicContact CD1-CD1 4.35Å; F662-L668 HydrophobicContact CD1-CD2 3.75Å; F662-L668 HydrophobicContact CG-CD2 3.89Å; F662-H670 HydrophobicContact CB-CB 4.4Å; F662-H670 WeakPolarHBondContact CB-ND1 3.32Å; F662-H670 HydrophobicContact CD2-CB 3.64Å; F662-H670 AromaticContact CD2-CD2 3.93Å; F662-H670 AromaticContact CD2-CG 3.54Å; F662-H670 AromaticContact CD2-ND1 3.82Å; F662-H670 HydrophobicContact CE2-CB 4.08Å; F662-H670 HydrophobicContact CG-CB 4.14Å; F662-F678 HydrophobicContact CE2-CB 3.83Å; F662-F678 HydrophobicContact CE2-CD1 4.14Å; F662-F678 HydrophobicContact CE2-CG 4.07Å; F662-F678 HydrophobicContact CZ-CB 4.25Å; F662-A680 HydrophobicContact CE1-CB 4.12Å; F662-A680 HydrophobicContact CZ-CB 4.24Å; F662-F697 HydrophobicContact CE1-CE2 4.17Å; F662-F697 HydrophobicContact CE1-CZ 4.33Å; F662-V699 HydrophobicContact CE1-CG2 4.27Å; F662-V699 HydrophobicContact CZ-CB 4.3Å; F662-V699 HydrophobicContact CZ-CG2 3.83Å; F662-I737 HydrophobicContact CD1-CD1 4.09Å; F662-I737 HydrophobicContact CE1-CD1 3.84Å
663L89.9Confident88.9Confident128 Ų12852.2 Ų52.267%0.6731%0.307SS*.Hα-helixtrans-75.9-27.3-179.4-69171000113V659 H660 I665V659-L663 HydrophobicContact CG1-CD1 3.98Å; V659-L663 WeakPolarHBondContact O-CG 3.49Å; V659-L663 PolarHBondContact O-N 2.99Å; H660-L663 PolarHBondContact O-N 2.69Å; L663-I665 VanDerWaalsContact C-N 3.33Å
664S87.5Confident89.1Confident50 Ų5052.9 Ų52.935%0.3531%0.312SS..SBendtrans-76.2-15178.568.40000114.3H660 A661 P666 Q740H660-S664 WeakPolarHBondContact O-CB 3.27Å; H660-S664 PolarHBondContact O-N 3.18Å; H660-S664 PolarHBondContact O-OG 3.47Å; A661-S664 PolarHBondContact O-OG 2.95Å; S664-P666 WeakPolarHBondContact O-CD 3.43Å; S664-Q740 PolarHBondContact OG-NE2 2.95Å; S664-Q740 PolarHBondContact OG-OE1 2.98Å
665I89.2Confident88.8Confident14 Ų1460.7 Ų60.77%0.07235%0.348CS..SBendtrans-95.4110.6-178.6-63.3176.2000109.5A661 L663 S667 L668 Y682 V733 T736 I737A661-I665 WeakPolarHBondContact O-CD1 3.34Å; A661-I665 WeakPolarHBondContact O-CG1 3.12Å; L663-I665 VanDerWaalsContact C-N 3.33Å; I665-S667 PolarHBondContact O-N 3.28Å; I665-L668 HydrophobicContact CB-CB 3.99Å; I665-L668 HydrophobicContact CB-CD1 4.05Å; I665-L668 HydrophobicContact CD1-CD1 4.06Å; I665-L668 HydrophobicContact CG2-CB 3.89Å; I665-L668 HydrophobicContact CG2-CD1 3.97Å; I665-L668 WeakPolarHBondContact O-CB 3.43Å; I665-L668 PolarHBondContact O-N 3Å; I665-L668 VanDerWaalsContact O-N 3.12Å; I665-Y682 HydrophobicContact CG2-CD2 4.12Å; I665-Y682 HydrophobicContact CG2-CE2 4.14Å; I665-V733 HydrophobicContact CD1-CG1 4.22Å; I665-T736 HydrophobicContact CD1-CG2 3.75Å; I665-T736 HydrophobicContact CG1-CG2 3.78Å; I665-I737 HydrophobicContact CD1-CD1 4.41Å; I665-I737 HydrophobicContact CD1-CG1 3.66Å
666P85.6Confident88.9Confident102 Ų10260.9 Ų60.966%0.66235%0.354SS*.THydrogen-bonded Turntrans-59.5133.6-175.9-25.135.2000112.3S664 L668 Y682S664-P666 WeakPolarHBondContact O-CD 3.43Å; P666-L668 PolarHBondContact O-N 3.27Å; P666-Y682 WeakPolarHBondContact O-CE2 3.4Å
667S86.6Confident89.1Confident57 Ų5758.6 Ų58.640%0.39933%0.334SS..THydrogen-bonded Turntrans62.421.4-179-51.20000115.1I665 K683 T685I665-S667 PolarHBondContact O-N 3.28Å; S667-K683 WeakPolarHBondContact CB-O 3.45Å; S667-K683 PolarHBondContact O-N 3.01Å; S667-T685 VanDerWaalsContact OG-CG2 3.3Å; S667-T685 WeakPolarHBondContact OG-CG2 3.42Å
668L92.9Very high89.5Confident21 Ų2157.4 Ų57.411%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-85.9139.6156.6-163.5151.1000109.4F662 I665 P666 H670 A680 Y682 F697 V733F662-L668 HydrophobicContact CB-CD2 3.7Å; F662-L668 HydrophobicContact CD1-CD1 4.35Å; F662-L668 HydrophobicContact CD1-CD2 3.75Å; F662-L668 HydrophobicContact CG-CD2 3.89Å; I665-L668 HydrophobicContact CB-CB 3.99Å; I665-L668 HydrophobicContact CB-CD1 4.05Å; I665-L668 HydrophobicContact CD1-CD1 4.06Å; I665-L668 HydrophobicContact CG2-CB 3.89Å; I665-L668 HydrophobicContact CG2-CD1 3.97Å; I665-L668 WeakPolarHBondContact O-CB 3.43Å; I665-L668 PolarHBondContact O-N 3Å; I665-L668 VanDerWaalsContact O-N 3.12Å; P666-L668 PolarHBondContact O-N 3.27Å; L668-H670 HydrophobicContact CD2-CB 4.45Å; L668-A680 HydrophobicContact CD2-CB 4.24Å; L668-Y682 HydrophobicContact CB-CD2 4.19Å; L668-F697 HydrophobicContact CD1-CE1 4.44Å; L668-F697 HydrophobicContact CD1-CZ 4.16Å; L668-V733 HydrophobicContact CD1-CG1 3.57Å
669S91.8Very high89.7Confident56 Ų5662.5 Ų62.539%0.39235%0.347SS..EExtended strand (participates in β ladder)trans-128.5146.2174.653.90000109.3A680 E681S669-A680 CarbonylContact O-C 3.51Å; S669-A680 WeakPolarHBondContact O-CA 3.36Å; S669-E681 PolarHBondContact N-O 3.17Å; S669-E681 PolarHBondContact O-N 3.25Å; S669-E681 PolarHBondContact OG-O 3.33Å
670H93.5Very high89.9Confident64 Ų6460.6 Ų60.630%0.29634%0.336SS..EExtended strand (participates in β ladder)trans-140.9159.6-176.972.8-93.5000112.9F662 L668 R679F662-H670 HydrophobicContact CB-CB 4.4Å; F662-H670 WeakPolarHBondContact CB-ND1 3.32Å; F662-H670 HydrophobicContact CD2-CB 3.64Å; F662-H670 AromaticContact CD2-CD2 3.93Å; F662-H670 AromaticContact CD2-CG 3.54Å; F662-H670 AromaticContact CD2-ND1 3.82Å; F662-H670 HydrophobicContact CE2-CB 4.08Å; F662-H670 HydrophobicContact CG-CB 4.14Å; L668-H670 HydrophobicContact CD2-CB 4.45Å; H670-R679 CarbonylContact C-O 3.58Å; H670-R679 WeakPolarHBondContact CA-O 3.41Å; H670-R679 WeakPolarHBondContact CB-O 3.29Å
671S92.1Very high90.3Very high66 Ų6656.2 Ų56.246%0.46232%0.315SS..EExtended strand (participates in β ladder)trans-144.5134.4174.162.30000110.3I673 R679S671-I673 PolarHBondContact O-N 2.67Å; S671-R679 PolarHBondContact N-O 2.8Å; S671-R679 PolarHBondContact O-N 2.94Å
672V91.1Very high90.3Very high96 Ų9658.2 Ų58.258%0.58232%0.323SS*.EExtended strand (participates in β ladder)trans-71127.7174.6-172.70000109.4S674 F678V672-S674 WeakPolarHBondContact CG1-O 3.45Å; V672-F678 HydrophobicContact CG2-CD1 3.99Å; V672-F678 HydrophobicContact CG2-CE1 3.89Å
673I88.4Confident90.1Very high86 Ų8663.4 Ų63.444%0.44135%0.346SS..EExtended strand (participates in β ladder)trans-95.1-40.6174.7-41.8-177.2000110.3S671 S677 R679 Q698S671-I673 PolarHBondContact O-N 2.67Å; I673-S677 WeakPolarHBondContact CD1-OG 3.45Å; I673-S677 PolarHBondContact N-O 2.96Å; I673-R679 HydrophobicContact CD1-CB 3.84Å; I673-R679 HydrophobicContact CG1-CB 4.01Å; I673-Q698 HydrophobicContact CD1-CG 4.16Å; I673-Q698 VanDerWaalsContact CD1-OE1 3.24Å
674S89.3Confident89.2Confident50 Ų5058.7 Ų58.735%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-151.4178.4179.8850000111.1V672 T676 S677V672-S674 WeakPolarHBondContact CG1-O 3.45Å; S674-T676 PolarHBondContact O-N 3.48Å; S674-T676 PolarHBondContact OG-N 3.21Å; S674-S677 PolarHBondContact N-O 2.87Å; S674-S677 VanDerWaalsContact N-O 3.1Å; S674-S677 PolarHBondContact O-N 3.04Å; S674-S677 VanDerWaalsContact OG-CB 3.26Å; S674-S677 WeakPolarHBondContact OG-CB 3.47Å; S674-S677 PolarHBondContact OG-N 3.14Å; S674-S677 VanDerWaalsContact OG-N 3.13Å
675Q79.6Confident88Confident164 Ų16461.8 Ų61.877%0.76634%0.34SS*.THydrogen-bonded Turntrans-60.7-9.1172-69.3-162.613.300114.5K655K655-Q675 WeakPolarHBondContact CE-O 3.33Å; K655-Q675 PolarHBondContact NZ-O 3.21Å
676T87.9Confident86.5Confident59 Ų5964.8 Ų64.836%0.36237%0.367SS..THydrogen-bonded Turntrans-135.213.5177.650.40000112.7S674 D700 I701S674-T676 PolarHBondContact O-N 3.48Å; S674-T676 PolarHBondContact OG-N 3.21Å; T676-D700 CarbonylContact O-C 3.49Å; T676-D700 VanDerWaalsContact O-CA 3.29Å; T676-D700 WeakPolarHBondContact O-CA 3.31Å; T676-I701 WeakPolarHBondContact CB-O 3.35Å; T676-I701 PolarHBondContact O-N 2.79Å
677S89.9Confident85.2Confident9 Ų962.2 Ų62.26%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-141.3133.9-173.3-177.70000112.4I673 S674 V699 D700I673-S677 WeakPolarHBondContact CD1-OG 3.45Å; I673-S677 PolarHBondContact N-O 2.96Å; S674-S677 PolarHBondContact N-O 2.87Å; S674-S677 VanDerWaalsContact N-O 3.1Å; S674-S677 PolarHBondContact O-N 3.04Å; S674-S677 VanDerWaalsContact OG-CB 3.26Å; S674-S677 WeakPolarHBondContact OG-CB 3.47Å; S674-S677 PolarHBondContact OG-N 3.14Å; S674-S677 VanDerWaalsContact OG-N 3.13Å; S677-V699 WeakPolarHBondContact CA-O 3.34Å; S677-D700 WeakPolarHBondContact CB-OD1 3.38Å; S677-D700 PolarHBondContact OG-OD1 2.81Å
678F93.9Very high83.3Confident8 Ų865.1 Ų65.14%0.03538%0.377CS..EExtended strand (participates in β ladder)trans-127.3142.3177.9-58.3-100.4000110.2K655 I658 V659 F662 V672 Q698 V699 I701K655-F678 HydrophobicContact CB-CZ 4.44Å; K655-F678 HydrophobicContact CG-CZ 4.2Å; I658-F678 HydrophobicContact CD1-CE2 4.29Å; I658-F678 HydrophobicContact CG2-CD2 4.28Å; I658-F678 HydrophobicContact CG2-CE2 4.32Å; I658-F678 HydrophobicContact CG2-CG 4.49Å; V659-F678 HydrophobicContact CG2-CE1 3.85Å; V659-F678 HydrophobicContact CG2-CZ 4.43Å; F662-F678 HydrophobicContact CE2-CB 3.83Å; F662-F678 HydrophobicContact CE2-CD1 4.14Å; F662-F678 HydrophobicContact CE2-CG 4.07Å; F662-F678 HydrophobicContact CZ-CB 4.25Å; V672-F678 HydrophobicContact CG2-CD1 3.99Å; V672-F678 HydrophobicContact CG2-CE1 3.89Å; F678-Q698 CarbonylContact O-C 3.55Å; F678-Q698 VanDerWaalsContact O-CA 3.26Å; F678-Q698 WeakPolarHBondContact O-CA 3.46Å; F678-V699 HydrophobicContact CB-CB 4.46Å; F678-V699 PolarHBondContact N-O 3.01Å; F678-V699 PolarHBondContact O-N 2.96Å; F678-I701 HydrophobicContact CE2-CD1 4.15Å
679R94.3Very high81.5Confident109 Ų10970 Ų7041%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-103139.5166.2-163150.1-74.8-144.1-5.1109.4H670 S671 I673H670-R679 CarbonylContact C-O 3.58Å; H670-R679 WeakPolarHBondContact CA-O 3.41Å; H670-R679 WeakPolarHBondContact CB-O 3.29Å; S671-R679 PolarHBondContact N-O 2.8Å; S671-R679 PolarHBondContact O-N 2.94Å; I673-R679 HydrophobicContact CD1-CB 3.84Å; I673-R679 HydrophobicContact CG1-CB 4.01Å
680A94.6Very high79.3Confident2 Ų273.1 Ų73.12%0.01742%0.424CS..EExtended strand (participates in β ladder)trans-130140.5177.600000111.2F662 L668 S669 K696 F697F662-A680 HydrophobicContact CE1-CB 4.12Å; F662-A680 HydrophobicContact CZ-CB 4.24Å; L668-A680 HydrophobicContact CD2-CB 4.24Å; S669-A680 CarbonylContact O-C 3.51Å; S669-A680 WeakPolarHBondContact O-CA 3.36Å; A680-K696 WeakPolarHBondContact O-CA 3.5Å; A680-F697 HydrophobicContact CB-CD1 3.94Å; A680-F697 HydrophobicContact CB-CD2 4.06Å; A680-F697 HydrophobicContact CB-CE1 3.54Å; A680-F697 HydrophobicContact CB-CE2 3.68Å; A680-F697 HydrophobicContact CB-CG 4.19Å; A680-F697 HydrophobicContact CB-CZ 3.4Å; A680-F697 VanDerWaalsContact CB-CZ 3.4Å; A680-F697 PolarHBondContact N-O 3.47Å; A680-F697 PolarHBondContact O-N 3.22Å
681E94Very high77.2Confident39 Ų3979.2 Ų79.218%0.18245%0.45CS..EExtended strand (participates in β ladder)trans-131.9116.2174.7179.1167.2162.700110S669 K683 P694 V695 K696S669-E681 PolarHBondContact N-O 3.17Å; S669-E681 PolarHBondContact O-N 3.25Å; S669-E681 PolarHBondContact OG-O 3.33Å; E681-K683 WeakPolarHBondContact OE1-CE 3.29Å; E681-K683 IonicContact OE1-NZ 2.63Å; E681-K683 PolarHBondContact OE1-NZ 2.78Å; E681-P694 HydrophobicContact CG-CB 4.02Å; E681-P694 WeakPolarHBondContact OE1-CB 3.47Å; E681-V695 CarbonylContact C-O 3.28Å; E681-V695 VanDerWaalsContact CA-O 3.27Å; E681-V695 WeakPolarHBondContact CA-O 3.41Å; E681-K696 HydrophobicContact CB-CG 4.39Å; E681-K696 HydrophobicContact CG-CG 4.07Å; E681-K696 IonicContact OE1-NZ 3.72Å; E681-K696 WeakPolarHBondContact OE2-CE 3.47Å; E681-K696 IonicContact OE2-NZ 3.88Å; E681-K696 PolarHBondContact OE2-NZ 3.44Å
682Y92.1Very high75.8Confident42 Ų4278.6 Ų78.617%0.16544%0.44CS..EExtended strand (participates in β ladder)trans-104.2127.6178.1170.3-100.7000111.3I665 P666 L668 V695 V733I665-Y682 HydrophobicContact CG2-CD2 4.12Å; I665-Y682 HydrophobicContact CG2-CE2 4.14Å; P666-Y682 WeakPolarHBondContact O-CE2 3.4Å; L668-Y682 HydrophobicContact CB-CD2 4.19Å; Y682-V695 HydrophobicContact CD1-CB 4.43Å; Y682-V695 HydrophobicContact CD1-CG2 4.37Å; Y682-V695 PolarHBondContact N-O 3.26Å; Y682-V695 PolarHBondContact O-N 2.95Å; Y682-V733 HydrophobicContact CD1-CG2 3.74Å; Y682-V733 HydrophobicContact CD2-CG2 4.09Å; Y682-V733 HydrophobicContact CE1-CG2 4.14Å; Y682-V733 HydrophobicContact CE2-CG2 4.45Å; Y682-V733 HydrophobicContact CG-CG2 3.72Å
683K87.4Confident75Confident110 Ų11081.5 Ų81.548%0.47845%0.445SS..  trans-116.7115.3179.6-70.6168.4-175.1166.20108.9S667 E681 T685 P694S667-K683 WeakPolarHBondContact CB-O 3.45Å; S667-K683 PolarHBondContact O-N 3.01Å; E681-K683 WeakPolarHBondContact OE1-CE 3.29Å; E681-K683 IonicContact OE1-NZ 2.63Å; E681-K683 PolarHBondContact OE1-NZ 2.78Å; K683-T685 PolarHBondContact O-N 2.79Å; K683-P694 HydrophobicContact CG-CB 4.09Å
684S71.8Confident74.8Confident28 Ų2879.3 Ų79.320%0.19644%0.436CS..  trans-78.5124.1179.5-161.20000110.6R729S684-R729 VanDerWaalsContact CB-NH1 3.29Å
685T61.6Low74.8Confident115 Ų11577 Ų7771%0.70642%0.42SS*.  trans-85.9-5.4-177.838.50000114.3S667 K683S667-T685 VanDerWaalsContact OG-CG2 3.3Å; S667-T685 WeakPolarHBondContact OG-CG2 3.42Å; K683-T685 PolarHBondContact O-N 2.79Å
686A57.2Low75.4Confident77 Ų7772.7 Ų72.764%0.63640%0.399SS*.SBendtrans-97.9117.8-179.300000112.2Q692A686-Q692 PolarHBondContact O-NE2 3.27Å
687G58.2Low75.7Confident49 Ų4969.9 Ų69.951%0.50538%0.382SS..SBendtrans104.6156.2172.600000114.9Q692G687-Q692 PolarHBondContact O-NE2 3.38Å
688P47.3Very low75.8Confident118 Ų11871.1 Ų71.177%0.76639%0.386SS*.  trans-56.6137-16921.5-33.3000113.4V690P688-V690 PolarHBondContact O-N 3.18Å
689T55.7Low75.8Confident124 Ų12470.9 Ų70.976%0.76139%0.385SS*.G310 helixtrans-71.6-20.4-157.443.40000115.8F691 Q692T689-F691 VanDerWaalsContact C-N 3.25Å; T689-F691 PolarHBondContact O-N 3.33Å; T689-F691 VanDerWaalsContact O-N 3.13Å; T689-Q692 PolarHBondContact O-N 3Å
690V45.3Very low75.5Confident121 Ų12167.2 Ų67.273%0.73337%0.374SS*.G310 helixtrans-67.9-17.4-166-161.60000114.3P688P688-V690 PolarHBondContact O-N 3.18Å
691F48.8Very low75.3Confident192 Ų19267.5 Ų67.584%0.84238%0.375SS*.G310 helixtrans-122.310.3-177.7-65-75.8000114.7T689 K693T689-F691 VanDerWaalsContact C-N 3.25Å; T689-F691 PolarHBondContact O-N 3.33Å; T689-F691 VanDerWaalsContact O-N 3.13Å; F691-K693 PolarHBondContact O-N 3.16Å
692Q62.4Low74.8Confident53 Ų5368.9 Ų68.925%0.24839%0.386CS..  trans-8070.3-174.4-65.5-82.718.700113A686 G687 T689A686-Q692 PolarHBondContact O-NE2 3.27Å; G687-Q692 PolarHBondContact O-NE2 3.38Å; T689-Q692 PolarHBondContact O-N 3Å
693K75.6Confident74.2Confident157 Ų15771.5 Ų71.568%0.68340%0.396SS*.PPolyproline II helixtrans-58.1124.7171-75.4-170.9177.6-176.90110.3F691 P726 R729F691-K693 PolarHBondContact O-N 3.16Å; K693-P726 WeakPolarHBondContact O-CD 3.28Å; K693-R729 PolarHBondContact O-NH2 3.36Å
694P83.6Confident73.1Confident40 Ų4069.6 Ų69.626%0.2639%0.394SS..PPolyproline II helixtrans-64.1154.6177.727.7-34.8000110.7E681 K683 G725E681-P694 HydrophobicContact CG-CB 4.02Å; E681-P694 WeakPolarHBondContact OE1-CB 3.47Å; K683-P694 HydrophobicContact CG-CB 4.09Å; P694-G725 VanDerWaalsContact O-CA 3.26Å; P694-G725 WeakPolarHBondContact O-CA 3.3Å
695V90.4Very high72.6Confident0 Ų075.3 Ų75.30%042%0.418CS..EExtended strand (participates in β ladder)trans-93.2123.3169.6175.40000107.8E681 Y682 F697 S724 R729 F730E681-V695 CarbonylContact C-O 3.28Å; E681-V695 VanDerWaalsContact CA-O 3.27Å; E681-V695 WeakPolarHBondContact CA-O 3.41Å; Y682-V695 HydrophobicContact CD1-CB 4.43Å; Y682-V695 HydrophobicContact CD1-CG2 4.37Å; Y682-V695 PolarHBondContact N-O 3.26Å; Y682-V695 PolarHBondContact O-N 2.95Å; V695-F697 HydrophobicContact CG1-CD1 4.21Å; V695-S724 CarbonylContact C-O 3.36Å; V695-S724 WeakPolarHBondContact CA-O 3.18Å; V695-R729 HydrophobicContact CG2-CB 3.65Å; V695-F730 HydrophobicContact CG1-CB 3.7Å; V695-F730 HydrophobicContact CG1-CD2 4.37Å
696K91.6Very high72.1Confident75 Ų7573.5 Ų73.533%0.32641%0.41SS..EExtended strand (participates in β ladder)trans-116.2137.9173.7-50.7-165.3-173-137.80109.8A680 E681 L723 S724A680-K696 WeakPolarHBondContact O-CA 3.5Å; E681-K696 HydrophobicContact CB-CG 4.39Å; E681-K696 HydrophobicContact CG-CG 4.07Å; E681-K696 IonicContact OE1-NZ 3.72Å; E681-K696 WeakPolarHBondContact OE2-CE 3.47Å; E681-K696 IonicContact OE2-NZ 3.88Å; E681-K696 PolarHBondContact OE2-NZ 3.44Å; K696-L723 HydrophobicContact CB-CB 4.23Å; K696-L723 WeakPolarHBondContact O-CA 3.41Å; K696-L723 WeakPolarHBondContact O-CB 3.48Å; K696-L723 PolarHBondContact O-N 3.25Å; K696-S724 PolarHBondContact N-O 2.84Å; K696-S724 PolarHBondContact O-N 3.06Å; K696-S724 VanDerWaalsContact O-N 3.14Å
697F93.6Very high71.6Confident0 Ų075.8 Ų75.80%042%0.421CS..EExtended strand (participates in β ladder)trans-149.9165.3176.962.5-77.9000111.2F662 L668 A680 V695 V699 L720 F721 F730 V733 I737F662-F697 HydrophobicContact CE1-CE2 4.17Å; F662-F697 HydrophobicContact CE1-CZ 4.33Å; L668-F697 HydrophobicContact CD1-CE1 4.44Å; L668-F697 HydrophobicContact CD1-CZ 4.16Å; A680-F697 HydrophobicContact CB-CD1 3.94Å; A680-F697 HydrophobicContact CB-CD2 4.06Å; A680-F697 HydrophobicContact CB-CE1 3.54Å; A680-F697 HydrophobicContact CB-CE2 3.68Å; A680-F697 HydrophobicContact CB-CG 4.19Å; A680-F697 HydrophobicContact CB-CZ 3.4Å; A680-F697 VanDerWaalsContact CB-CZ 3.4Å; A680-F697 PolarHBondContact N-O 3.47Å; A680-F697 PolarHBondContact O-N 3.22Å; V695-F697 HydrophobicContact CG1-CD1 4.21Å; F697-V699 HydrophobicContact CD2-CG2 3.8Å; F697-V699 HydrophobicContact CE2-CG2 3.77Å; F697-L720 HydrophobicContact CD2-CD2 4.48Å; F697-L720 HydrophobicContact CE2-CD2 4.22Å; F697-F721 CarbonylContact C-O 3.48Å; F697-F721 WeakPolarHBondContact CA-O 3.26Å; F697-F721 WeakPolarHBondContact CB-O 3.31Å; F697-F730 HydrophobicContact CB-CD2 3.79Å; F697-F730 HydrophobicContact CB-CE2 3.52Å; F697-F730 HydrophobicContact CD1-CD2 4.06Å; F697-F730 HydrophobicContact CD1-CE2 4.35Å; F697-F730 HydrophobicContact CD2-CD2 4.4Å; F697-F730 AromaticContact CD2-CE2 3.89Å; F697-F730 HydrophobicContact CD2-CE2 3.89Å; F697-F730 AromaticContact CG-CD2 3.87Å; F697-F730 HydrophobicContact CG-CD2 3.87Å; F697-F730 AromaticContact CG-CE2 3.7Å; F697-F730 HydrophobicContact CG-CE2 3.7Å; F697-V733 HydrophobicContact CE1-CG1 3.81Å; F697-V733 HydrophobicContact CZ-CG1 3.62Å; F697-I737 HydrophobicContact CE2-CD1 3.93Å; F697-I737 HydrophobicContact CZ-CD1 3.85Å
698Q91.6Very high71.3Confident35 Ų3577.5 Ų77.516%0.16444%0.439CS..EExtended strand (participates in β ladder)trans-121.5148.8173.5169.3167.9-4400109.1I673 F678 D700 L720 F721 L723I673-Q698 HydrophobicContact CD1-CG 4.16Å; I673-Q698 VanDerWaalsContact CD1-OE1 3.24Å; F678-Q698 CarbonylContact O-C 3.55Å; F678-Q698 VanDerWaalsContact O-CA 3.26Å; F678-Q698 WeakPolarHBondContact O-CA 3.46Å; Q698-D700 VanDerWaalsContact CG-OD1 3.23Å; Q698-D700 WeakPolarHBondContact CG-OD1 3.33Å; Q698-D700 VanDerWaalsContact NE2-CG 3.33Å; Q698-D700 PolarHBondContact NE2-OD1 3.27Å; Q698-D700 VanDerWaalsContact NE2-OD1 3.07Å; Q698-D700 PolarHBondContact NE2-OD2 3.05Å; Q698-L720 CarbonylContact O-C 3.52Å; Q698-L720 VanDerWaalsContact O-CA 3.31Å; Q698-L720 WeakPolarHBondContact O-CA 3.41Å; Q698-F721 HydrophobicContact CB-CB 4.37Å; Q698-F721 PolarHBondContact N-O 3.43Å; Q698-F721 PolarHBondContact O-N 3.1Å; Q698-L723 HydrophobicContact CB-CD1 4.07Å
699V93.6Very high70.9Confident2 Ų275.5 Ų75.51%0.01243%0.433CS..EExtended strand (participates in β ladder)trans-128.9109.9179.5-178.90000107.8F662 S677 F678 F697 C719 L720F662-V699 HydrophobicContact CE1-CG2 4.27Å; F662-V699 HydrophobicContact CZ-CB 4.3Å; F662-V699 HydrophobicContact CZ-CG2 3.83Å; S677-V699 WeakPolarHBondContact CA-O 3.34Å; F678-V699 HydrophobicContact CB-CB 4.46Å; F678-V699 PolarHBondContact N-O 3.01Å; F678-V699 PolarHBondContact O-N 2.96Å; F697-V699 HydrophobicContact CD2-CG2 3.8Å; F697-V699 HydrophobicContact CE2-CG2 3.77Å; V699-C719 WeakPolarHBondContact CA-O 3.4Å; V699-L720 HydrophobicContact CB-CG 4.4Å; V699-L720 HydrophobicContact CG1-CD2 4.39Å; V699-L720 HydrophobicContact CG1-CG 4.08Å; V699-L720 HydrophobicContact CG2-CB 4.45Å; V699-L720 HydrophobicContact CG2-CD2 3.61Å; V699-L720 HydrophobicContact CG2-CG 3.78Å
700D89.1Confident70.5Confident32 Ų3275 Ų7517%0.17143%0.429CS..EExtended strand (participates in β ladder)trans-110138.8179.9-59.2-27.8000110.9T676 S677 Q698 L718 C719 F721T676-D700 CarbonylContact O-C 3.49Å; T676-D700 VanDerWaalsContact O-CA 3.29Å; T676-D700 WeakPolarHBondContact O-CA 3.31Å; S677-D700 WeakPolarHBondContact CB-OD1 3.38Å; S677-D700 PolarHBondContact OG-OD1 2.81Å; Q698-D700 VanDerWaalsContact CG-OD1 3.23Å; Q698-D700 WeakPolarHBondContact CG-OD1 3.33Å; Q698-D700 VanDerWaalsContact NE2-CG 3.33Å; Q698-D700 PolarHBondContact NE2-OD1 3.27Å; Q698-D700 VanDerWaalsContact NE2-OD1 3.07Å; Q698-D700 PolarHBondContact NE2-OD2 3.05Å; D700-L718 CarbonylContact O-C 3.45Å; D700-L718 WeakPolarHBondContact O-CA 3.26Å; D700-C719 PolarHBondContact N-O 3.42Å; D700-C719 PolarHBondContact O-N 3.22Å; D700-F721 HydrophobicContact CB-CE2 4.05Å; D700-F721 WeakPolarHBondContact OD2-CE2 3.38Å
701I89.8Confident70.8Confident9 Ų977.9 Ų77.95%0.04643%0.432CS..EExtended strand (participates in β ladder)trans-102.2116.8178.2-48.3171.3000108.4L651 I654 K655 I658 T676 F678 Y716 L718L651-I701 HydrophobicContact CD1-CB 4.41Å; L651-I701 HydrophobicContact CD1-CD1 3.84Å; L651-I701 HydrophobicContact CD1-CG2 3.8Å; I654-I701 HydrophobicContact CG2-CD1 4.04Å; K655-I701 HydrophobicContact CG-CD1 4.04Å; I658-I701 HydrophobicContact CD1-CD1 3.73Å; I658-I701 HydrophobicContact CD1-CG1 4.01Å; T676-I701 WeakPolarHBondContact CB-O 3.35Å; T676-I701 PolarHBondContact O-N 2.79Å; F678-I701 HydrophobicContact CE2-CD1 4.15Å; I701-Y716 HydrophobicContact CG2-CD1 3.89Å; I701-Y716 HydrophobicContact CG2-CG 4.48Å; I701-L718 HydrophobicContact CG1-CG 4.46Å; I701-L718 HydrophobicContact CG2-CD1 4.42Å
702T84.4Confident70.8Confident68 Ų6876.2 Ų76.242%0.41743%0.427SS..EExtended strand (participates in β ladder)trans-106.1148170.9500000110.4Y716 C717T702-Y716 CarbonylContact O-C 3.48Å; T702-Y716 VanDerWaalsContact O-CA 3.3Å; T702-Y716 WeakPolarHBondContact O-CA 3.47Å; T702-C717 PolarHBondContact N-O 2.99Å; T702-C717 PolarHBondContact O-N 3.2Å; T702-C717 PolarHBondContact OG1-O 3.45Å
703Y80.1Confident70.5Confident96 Ų9678.3 Ų78.338%0.37644%0.44SS..EExtended strand (participates in β ladder)trans-108.1132.7175.6172.1-110.3000109E705 Y716Y703-E705 HydrophobicContact CD1-CB 4.36Å; Y703-E705 HydrophobicContact CE1-CB 3.61Å; Y703-E705 HydrophobicContact CE1-CG 3.9Å; Y703-Y716 HydrophobicContact CD2-CD1 4.05Å; Y703-Y716 AromaticContact CD2-CE1 3.66Å; Y703-Y716 HydrophobicContact CD2-CE1 3.66Å; Y703-Y716 HydrophobicContact CD2-CE2 4.27Å; Y703-Y716 AromaticContact CD2-CZ 3.77Å; Y703-Y716 HydrophobicContact CG-CE1 4.18Å
704T63.9Low69.8Low71 Ų7170.9 Ų70.944%0.43641%0.408SS..EExtended strand (participates in β ladder)trans-114.5110.1175.153.30000108.8S706 I715T704-S706 PolarHBondContact O-N 2.92Å; T704-I715 PolarHBondContact N-O 2.87Å; T704-I715 WeakPolarHBondContact OG1-CB 3.3Å; T704-I715 WeakPolarHBondContact OG1-CG2 3.4Å; T704-I715 PolarHBondContact OG1-O 3.35Å
705E61.7Low69.4Low148 Ų14871.7 Ų71.769%0.69241%0.409SS*.  trans-75.7121-173.6-166156.8-114.400111.4Y703Y703-E705 HydrophobicContact CD1-CB 4.36Å; Y703-E705 HydrophobicContact CE1-CB 3.61Å; Y703-E705 HydrophobicContact CE1-CG 3.9Å
706S49.6Very low68.9Low76 Ų7673.1 Ų73.153%0.53142%0.415SS..  trans-84130169.8-174.60000109.1T704 G708T704-S706 PolarHBondContact O-N 2.92Å; S706-G708 PolarHBondContact O-N 2.86Å; S706-G708 VanDerWaalsContact O-N 3.1Å
707S47.6Very low68.4Low126 Ų12670.5 Ų70.588%0.88141%0.406SS*.THydrogen-bonded Turntrans-63.3113.1-178-54.50000111.8
708G51.4Low68.1Low85 Ų8570.5 Ų70.588%0.87641%0.406SS*.THydrogen-bonded Turntrans91.341.916400000117.2S706S706-G708 PolarHBondContact O-N 2.86Å; S706-G708 VanDerWaalsContact O-N 3.1Å
709A39.5Very low67.8Low76 Ų7669.4 Ų69.463%0.62840%0.402SS*.  trans-134.1161.816600000112.1
710T46.2Very low67.6Low112 Ų11269.3 Ų69.369%0.68740%0.401SS*.  trans-68.7153178.339.60000112.3E712T710-E712 PolarHBondContact O-N 2.86Å
711K51.5Low67.4Low182 Ų18270.5 Ų70.579%0.79141%0.405SS*.THydrogen-bonded Turntrans-61.95.1-168.4-82.1-170.3172.1-176.60117.7
712E49.9Very low67.4Low158 Ų15871.7 Ų71.774%0.73841%0.41SS*.THydrogen-bonded Turntrans-97.2-31.4-175.7-55.2-160.2136.600112.9T710 G714T710-E712 PolarHBondContact O-N 2.86Å; E712-G714 PolarHBondContact O-N 2.85Å
713N55.1Low67.5Low97 Ų9772 Ų7252%0.51941%0.409SS..SBendtrans-94.866.1178-71.678.5000111.9D648D648-N713 PolarHBondContact OD1-ND2 3.03Å
714G62.5Low67.7Low1 Ų169.8 Ų69.81%0.0141%0.407CS..  trans-82.6143.117800000114.2D648 E712D648-G714 PolarHBondContact N-O 2.86Å; E712-G714 PolarHBondContact O-N 2.85Å
715I75.1Confident68.7Low57 Ų5768 Ų6829%0.29240%0.403SS..EExtended strand (participates in β ladder)trans-92.5123.2160.7-56.9-177.7000107.7V645 R647 T704V645-I715 HydrophobicContact CG1-CG2 3.87Å; R647-I715 HydrophobicContact CG-CG1 4.25Å; R647-I715 HydrophobicContact CG-CG2 4.45Å; T704-I715 PolarHBondContact N-O 2.87Å; T704-I715 WeakPolarHBondContact OG1-CB 3.3Å; T704-I715 WeakPolarHBondContact OG1-CG2 3.4Å; T704-I715 PolarHBondContact OG1-O 3.35Å
716Y80.1Confident69.6Low29 Ų2963.2 Ų63.211%0.11438%0.384CS..EExtended strand (participates in β ladder)trans-117.3144.7176.9-66.6-88.8000110V645 I646 L651 I654 I701 T702 Y703V645-Y716 WeakPolarHBondContact CA-O 3.36Å; I646-Y716 PolarHBondContact N-O 3.21Å; I646-Y716 PolarHBondContact O-N 2.96Å; I646-Y716 VanDerWaalsContact O-O 3.09Å; L651-Y716 HydrophobicContact CB-CE1 4.08Å; L651-Y716 HydrophobicContact CD1-CD1 4.32Å; L651-Y716 HydrophobicContact CD1-CE1 4.05Å; L651-Y716 HydrophobicContact CG-CE1 4.44Å; I654-Y716 HydrophobicContact CD1-CD1 4.45Å; I654-Y716 HydrophobicContact CD1-CD2 3.41Å; I654-Y716 VanDerWaalsContact CD1-CD2 3.41Å; I654-Y716 HydrophobicContact CD1-CE2 4.13Å; I654-Y716 HydrophobicContact CD1-CG 3.6Å; I701-Y716 HydrophobicContact CG2-CD1 3.89Å; I701-Y716 HydrophobicContact CG2-CG 4.48Å; T702-Y716 CarbonylContact O-C 3.48Å; T702-Y716 VanDerWaalsContact O-CA 3.3Å; T702-Y716 WeakPolarHBondContact O-CA 3.47Å; Y703-Y716 HydrophobicContact CD2-CD1 4.05Å; Y703-Y716 AromaticContact CD2-CE1 3.66Å; Y703-Y716 HydrophobicContact CD2-CE1 3.66Å; Y703-Y716 HydrophobicContact CD2-CE2 4.27Å; Y703-Y716 AromaticContact CD2-CZ 3.77Å; Y703-Y716 HydrophobicContact CG-CE1 4.18Å
717C81Confident70.8Confident20 Ų2062.4 Ų62.414%0.13538%0.379CS..EExtended strand (participates in β ladder)trans-121.1121.7174.8-166.80000109.5T702T702-C717 PolarHBondContact N-O 2.99Å; T702-C717 PolarHBondContact O-N 3.2Å; T702-C717 PolarHBondContact OG1-O 3.45Å
718L85.8Confident72.2Confident1 Ų165.5 Ų65.51%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-91.5116.7174-75.159.8000107.9F643 I644 I646 I654 I658 D700 I701 L720 L741F643-L718 WeakPolarHBondContact CA-O 3.45Å; I644-L718 HydrophobicContact CB-CB 4.25Å; I644-L718 PolarHBondContact N-O 3.39Å; I644-L718 PolarHBondContact O-N 2.78Å; I646-L718 HydrophobicContact CD1-CD1 3.72Å; I646-L718 HydrophobicContact CD1-CD2 3.93Å; I646-L718 HydrophobicContact CG1-CD1 4.06Å; I654-L718 HydrophobicContact CG2-CD1 3.92Å; I658-L718 HydrophobicContact CD1-CD2 3.67Å; I658-L718 HydrophobicContact CD1-CG 4.11Å; I658-L718 HydrophobicContact CG1-CD2 3.77Å; D700-L718 CarbonylContact O-C 3.45Å; D700-L718 WeakPolarHBondContact O-CA 3.26Å; I701-L718 HydrophobicContact CG1-CG 4.46Å; I701-L718 HydrophobicContact CG2-CD1 4.42Å; L718-L720 HydrophobicContact CB-CD1 4.26Å; L718-L741 HydrophobicContact CD2-CD1 3.6Å; L718-L741 HydrophobicContact CD2-CD2 4.32Å
719C85.3Confident73.6Confident11 Ų1164 Ų647%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-101106.3-179.9-54.10000108.7F643 V699 D700 F721F643-C719 HydrophobicContact CD1-CB 4.23Å; F643-C719 VanDerWaalsContact CD1-SG 3.6Å; F643-C719 HydrophobicContact CE1-CB 4.07Å; F643-C719 VanDerWaalsContact CE1-SG 3.55Å; V699-C719 WeakPolarHBondContact CA-O 3.4Å; D700-C719 PolarHBondContact N-O 3.42Å; D700-C719 PolarHBondContact O-N 3.22Å; C719-F721 HydrophobicContact CB-CD2 4.2Å; C719-F721 HydrophobicContact CB-CE2 3.47Å; C719-F721 VanDerWaalsContact CB-CE2 3.47Å; C719-F721 HydrophobicContact CB-CZ 3.94Å; C719-F721 VanDerWaalsContact O-CD2 3.29Å; C719-F721 WeakPolarHBondContact O-CD2 3.39Å
720L89.9Confident75.9Confident1 Ų160.4 Ų60.41%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-95.197.3179.9-63.997.1000109.9Q641 I642 I644 F697 Q698 V699 L718 F730 V734 I737Q641-L720 WeakPolarHBondContact CA-O 3.4Å; I642-L720 HydrophobicContact CB-CB 4.36Å; I642-L720 PolarHBondContact N-O 3.38Å; I642-L720 WeakPolarHBondContact O-CD1 3.27Å; I642-L720 PolarHBondContact O-N 3.42Å; I644-L720 HydrophobicContact CD1-CD1 3.63Å; I644-L720 HydrophobicContact CG1-CD1 3.86Å; F697-L720 HydrophobicContact CD2-CD2 4.48Å; F697-L720 HydrophobicContact CE2-CD2 4.22Å; Q698-L720 CarbonylContact O-C 3.52Å; Q698-L720 VanDerWaalsContact O-CA 3.31Å; Q698-L720 WeakPolarHBondContact O-CA 3.41Å; V699-L720 HydrophobicContact CB-CG 4.4Å; V699-L720 HydrophobicContact CG1-CD2 4.39Å; V699-L720 HydrophobicContact CG1-CG 4.08Å; V699-L720 HydrophobicContact CG2-CB 4.45Å; V699-L720 HydrophobicContact CG2-CD2 3.61Å; V699-L720 HydrophobicContact CG2-CG 3.78Å; L718-L720 HydrophobicContact CB-CD1 4.26Å; L720-F730 HydrophobicContact CB-CZ 4.28Å; L720-F730 WeakPolarHBondContact O-CZ 3.19Å; L720-V734 HydrophobicContact CB-CG2 4.34Å; L720-V734 HydrophobicContact CD1-CG1 4.4Å; L720-V734 HydrophobicContact CD2-CB 4.42Å; L720-V734 HydrophobicContact CD2-CG1 3.95Å; L720-V734 HydrophobicContact CD2-CG2 3.78Å; L720-I737 HydrophobicContact CD2-CD1 4.39Å
721F85.4Confident77.5Confident56 Ų5657.4 Ų57.425%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-84.5115.6179.4-60.2-97.9000111.1E640 Q641 F697 Q698 D700 C719E640-F721 CarbonylContact O-C 3.58Å; Q641-F721 HydrophobicContact CG-CD1 3.54Å; Q641-F721 HydrophobicContact CG-CE1 3.88Å; Q641-F721 HydrophobicContact CG-CG 4.26Å; F697-F721 CarbonylContact C-O 3.48Å; F697-F721 WeakPolarHBondContact CA-O 3.26Å; F697-F721 WeakPolarHBondContact CB-O 3.31Å; Q698-F721 HydrophobicContact CB-CB 4.37Å; Q698-F721 PolarHBondContact N-O 3.43Å; Q698-F721 PolarHBondContact O-N 3.1Å; D700-F721 HydrophobicContact CB-CE2 4.05Å; D700-F721 WeakPolarHBondContact OD2-CE2 3.38Å; C719-F721 HydrophobicContact CB-CD2 4.2Å; C719-F721 HydrophobicContact CB-CE2 3.47Å; C719-F721 VanDerWaalsContact CB-CE2 3.47Å; C719-F721 HydrophobicContact CB-CZ 3.94Å; C719-F721 VanDerWaalsContact O-CD2 3.29Å; C719-F721 WeakPolarHBondContact O-CD2 3.39Å
722F90.5Very high79.1Confident35 Ų3557.3 Ų57.315%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-63.7132.8166.2179.9-114.2000110.4E640 S724 G725 F730E640-F722 WeakPolarHBondContact O-CB 3.38Å; E640-F722 PolarHBondContact O-N 3.13Å; F722-S724 VanDerWaalsContact CE2-C 3.47Å; F722-S724 VanDerWaalsContact CE2-O 3.29Å; F722-S724 WeakPolarHBondContact CE2-O 3.46Å; F722-S724 VanDerWaalsContact CZ-C 3.41Å; F722-G725 WeakPolarHBondContact CZ-O 3.13Å; F722-F730 HydrophobicContact CB-CD1 3.94Å; F722-F730 HydrophobicContact CB-CE1 3.78Å; F722-F730 HydrophobicContact CB-CE2 4.42Å; F722-F730 HydrophobicContact CB-CG 4.33Å; F722-F730 HydrophobicContact CB-CZ 4.03Å; F722-F730 HydrophobicContact CD2-CB 3.7Å; F722-F730 AromaticContact CD2-CD1 3.87Å; F722-F730 HydrophobicContact CD2-CD1 3.87Å; F722-F730 HydrophobicContact CD2-CD2 4.08Å; F722-F730 AromaticContact CD2-CG 3.61Å; F722-F730 HydrophobicContact CD2-CG 3.61Å; F722-F730 HydrophobicContact CE2-CB 3.98Å; F722-F730 HydrophobicContact CE2-CG 4.39Å; F722-F730 HydrophobicContact CG-CD1 4.18Å; F722-F730 HydrophobicContact CG-CG 4.34Å
723L86.6Confident80.8Confident75 Ų7550.1 Ų50.139%0.39325%0.248SC..EExtended strand (participates in β ladder)trans-115.6-36.8-179.6-61.4173.3000113K696 Q698K696-L723 HydrophobicContact CB-CB 4.23Å; K696-L723 WeakPolarHBondContact O-CA 3.41Å; K696-L723 WeakPolarHBondContact O-CB 3.48Å; K696-L723 PolarHBondContact O-N 3.25Å; Q698-L723 HydrophobicContact CB-CD1 4.07Å
724S84Confident82.4Confident49 Ų4945.6 Ų45.634%0.34322%0.224SC..EExtended strand (participates in β ladder)trans-173.1161.9174.549.10000112.9V695 K696 F722V695-S724 CarbonylContact C-O 3.36Å; V695-S724 WeakPolarHBondContact CA-O 3.18Å; K696-S724 PolarHBondContact N-O 2.84Å; K696-S724 PolarHBondContact O-N 3.06Å; K696-S724 VanDerWaalsContact O-N 3.14Å; F722-S724 VanDerWaalsContact CE2-C 3.47Å; F722-S724 VanDerWaalsContact CE2-O 3.29Å; F722-S724 WeakPolarHBondContact CE2-O 3.46Å; F722-S724 VanDerWaalsContact CZ-C 3.41Å
725G84.2Confident83.5Confident33 Ų3351 Ų5134%0.3425%0.249SC..SBendtrans115.7-159.2173.200000113.2P694 F722 S727P694-G725 VanDerWaalsContact O-CA 3.26Å; P694-G725 WeakPolarHBondContact O-CA 3.3Å; F722-G725 WeakPolarHBondContact CZ-O 3.13Å; G725-S727 PolarHBondContact O-N 2.97Å
726P80.3Confident84Confident47 Ų4751.2 Ų51.231%0.30525%0.253SS..  trans-81.3110.3171.1-18.834.5000111.6K693 R728 R729 F730K693-P726 WeakPolarHBondContact O-CD 3.28Å; P726-R728 VanDerWaalsContact C-N 3.27Å; P726-R728 PolarHBondContact O-N 2.95Å; P726-R729 HydrophobicContact CB-CB 4.42Å; P726-R729 HydrophobicContact CB-CG 4.21Å; P726-R729 WeakPolarHBondContact O-CA 3.41Å; P726-R729 WeakPolarHBondContact O-CB 3.26Å; P726-R729 PolarHBondContact O-N 2.84Å; P726-F730 PolarHBondContact O-N 3.26Å
727S75.5Confident84.4Confident60 Ų6050 Ų5042%0.4225%0.248SC..Hα-helixtrans-55.6-36-178.6580000113.8G725 R729 F730 K731G725-S727 PolarHBondContact O-N 2.97Å; S727-R729 PolarHBondContact O-N 2.83Å; S727-F730 WeakPolarHBondContact O-CB 3.29Å; S727-F730 PolarHBondContact O-N 3.47Å; S727-F730 VanDerWaalsContact O-N 3.1Å; S727-K731 PolarHBondContact O-N 2.82Å
728R76.4Confident84.6Confident190 Ų19052.6 Ų52.672%0.71726%0.259SS*.Hα-helixtrans-62.4-22.3173.4-64.9-174.8-177.8-1760.5114.1P726P726-R728 VanDerWaalsContact C-N 3.27Å; P726-R728 PolarHBondContact O-N 2.95Å
729R80.4Confident84.4Confident55 Ų5555.3 Ų55.321%0.20828%0.282CS..Hα-helixtrans-86.7-34.4172-65.4-157.1-65.6-157.84.1111.7S684 K693 V695 P726 S727 V733S684-R729 VanDerWaalsContact CB-NH1 3.29Å; K693-R729 PolarHBondContact O-NH2 3.36Å; V695-R729 HydrophobicContact CG2-CB 3.65Å; P726-R729 HydrophobicContact CB-CB 4.42Å; P726-R729 HydrophobicContact CB-CG 4.21Å; P726-R729 WeakPolarHBondContact O-CA 3.41Å; P726-R729 WeakPolarHBondContact O-CB 3.26Å; P726-R729 PolarHBondContact O-N 2.84Å; S727-R729 PolarHBondContact O-N 2.83Å; R729-V733 WeakPolarHBondContact O-CG2 3.39Å; R729-V733 PolarHBondContact O-N 2.78Å; R729-V733 VanDerWaalsContact O-N 3.14Å
730F87.6Confident84.1Confident0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-56.9-52.1170167-110.9000111.7I642 V695 F697 L720 F722 P726 S727 R732 V733 V734I642-F730 HydrophobicContact CD1-CD1 4.39Å; I642-F730 HydrophobicContact CD1-CE1 3.66Å; I642-F730 HydrophobicContact CD1-CZ 4.07Å; I642-F730 HydrophobicContact CG1-CE1 4.14Å; I642-F730 HydrophobicContact CG1-CZ 4.43Å; V695-F730 HydrophobicContact CG1-CB 3.7Å; V695-F730 HydrophobicContact CG1-CD2 4.37Å; F697-F730 HydrophobicContact CB-CD2 3.79Å; F697-F730 HydrophobicContact CB-CE2 3.52Å; F697-F730 HydrophobicContact CD1-CD2 4.06Å; F697-F730 HydrophobicContact CD1-CE2 4.35Å; F697-F730 HydrophobicContact CD2-CD2 4.4Å; F697-F730 AromaticContact CD2-CE2 3.89Å; F697-F730 HydrophobicContact CD2-CE2 3.89Å; F697-F730 AromaticContact CG-CD2 3.87Å; F697-F730 HydrophobicContact CG-CD2 3.87Å; F697-F730 AromaticContact CG-CE2 3.7Å; F697-F730 HydrophobicContact CG-CE2 3.7Å; L720-F730 HydrophobicContact CB-CZ 4.28Å; L720-F730 WeakPolarHBondContact O-CZ 3.19Å; F722-F730 HydrophobicContact CB-CD1 3.94Å; F722-F730 HydrophobicContact CB-CE1 3.78Å; F722-F730 HydrophobicContact CB-CE2 4.42Å; F722-F730 HydrophobicContact CB-CG 4.33Å; F722-F730 HydrophobicContact CB-CZ 4.03Å; F722-F730 HydrophobicContact CD2-CB 3.7Å; F722-F730 AromaticContact CD2-CD1 3.87Å; F722-F730 HydrophobicContact CD2-CD1 3.87Å; F722-F730 HydrophobicContact CD2-CD2 4.08Å; F722-F730 AromaticContact CD2-CG 3.61Å; F722-F730 HydrophobicContact CD2-CG 3.61Å; F722-F730 HydrophobicContact CE2-CB 3.98Å; F722-F730 HydrophobicContact CE2-CG 4.39Å; F722-F730 HydrophobicContact CG-CD1 4.18Å; F722-F730 HydrophobicContact CG-CG 4.34Å; P726-F730 PolarHBondContact O-N 3.26Å; S727-F730 WeakPolarHBondContact O-CB 3.29Å; S727-F730 PolarHBondContact O-N 3.47Å; S727-F730 VanDerWaalsContact O-N 3.1Å; F730-R732 PolarHBondContact O-N 2.83Å; F730-V733 PolarHBondContact O-N 2.95Å; F730-V734 HydrophobicContact CD2-CG2 3.83Å; F730-V734 HydrophobicContact CE1-CG2 4.36Å; F730-V734 HydrophobicContact CE2-CG2 3.38Å; F730-V734 HydrophobicContact CG-CG2 4.48Å; F730-V734 HydrophobicContact CZ-CG2 3.69Å; F730-V734 PolarHBondContact O-N 2.93Å
731K81.4Confident83.7Confident49 Ų4957.3 Ų57.321%0.21329%0.29CS..Hα-helixtrans-54.3-47.7179.3-63.9-167.2-176.5-164.50112.4E639 I642 S727 V733 V734 E735E639-K731 IonicContact OE1-NZ 2.79Å; E639-K731 PolarHBondContact OE1-NZ 2.88Å; E639-K731 WeakPolarHBondContact OE2-CD 3.42Å; E639-K731 WeakPolarHBondContact OE2-CE 3.45Å; E639-K731 IonicContact OE2-NZ 2.58Å; E639-K731 PolarHBondContact OE2-NZ 2.92Å; I642-K731 HydrophobicContact CD1-CG 4.46Å; S727-K731 PolarHBondContact O-N 2.82Å; K731-V733 VanDerWaalsContact C-N 3.34Å; K731-V733 PolarHBondContact O-N 3.37Å; K731-V734 CarbonylContact O-C 3.59Å; K731-V734 PolarHBondContact O-N 2.63Å; K731-V734 VanDerWaalsContact O-N 3.11Å; K731-E735 WeakPolarHBondContact O-CB 3.21Å; K731-E735 VanDerWaalsContact O-CG 3.26Å; K731-E735 WeakPolarHBondContact O-CG 3.29Å; K731-E735 PolarHBondContact O-N 3.14Å
732R83.3Confident83.2Confident179 Ų17959 Ų5968%0.67530%0.301SS*.Hα-helixtrans-59.8-37.5175.6-70.7179.2176.1-172.8-3.2114.7F730 E735 T736F730-R732 PolarHBondContact O-N 2.83Å; R732-E735 WeakPolarHBondContact CA-OE2 2.86Å; R732-T736 PolarHBondContact O-N 2.8Å; R732-T736 VanDerWaalsContact O-N 3.17Å; R732-T736 PolarHBondContact O-OG1 2.76Å
733V87.1Confident82Confident7 Ų761.6 Ų61.64%0.04232%0.323CS..Hα-helixtrans-67.4-43.3175.2168.80000109.8I665 L668 Y682 F697 R729 F730 K731 T736 I737I665-V733 HydrophobicContact CD1-CG1 4.22Å; L668-V733 HydrophobicContact CD1-CG1 3.57Å; Y682-V733 HydrophobicContact CD1-CG2 3.74Å; Y682-V733 HydrophobicContact CD2-CG2 4.09Å; Y682-V733 HydrophobicContact CE1-CG2 4.14Å; Y682-V733 HydrophobicContact CE2-CG2 4.45Å; Y682-V733 HydrophobicContact CG-CG2 3.72Å; F697-V733 HydrophobicContact CE1-CG1 3.81Å; F697-V733 HydrophobicContact CZ-CG1 3.62Å; R729-V733 WeakPolarHBondContact O-CG2 3.39Å; R729-V733 PolarHBondContact O-N 2.78Å; R729-V733 VanDerWaalsContact O-N 3.14Å; F730-V733 PolarHBondContact O-N 2.95Å; K731-V733 VanDerWaalsContact C-N 3.34Å; K731-V733 PolarHBondContact O-N 3.37Å; V733-T736 WeakPolarHBondContact O-CB 3.03Å; V733-T736 PolarHBondContact O-N 2.72Å; V733-I737 HydrophobicContact CG1-CD1 3.91Å; V733-I737 VanDerWaalsContact O-CG1 3.29Å; V733-I737 WeakPolarHBondContact O-CG1 3.3Å; V733-I737 PolarHBondContact O-N 2.8Å
734V89Confident80.4Confident2 Ų260.8 Ų60.81%0.01232%0.324CS..Hα-helixtrans-68.7-39.6177.7177.20000112.7I642 L720 F730 K731 T736 I737 Q738I642-V734 HydrophobicContact CB-CG1 4.03Å; I642-V734 HydrophobicContact CD1-CB 3.9Å; I642-V734 HydrophobicContact CD1-CG1 3.74Å; I642-V734 HydrophobicContact CD1-CG2 4.16Å; I642-V734 HydrophobicContact CG1-CG1 4.49Å; I642-V734 HydrophobicContact CG2-CG1 3.7Å; L720-V734 HydrophobicContact CB-CG2 4.34Å; L720-V734 HydrophobicContact CD1-CG1 4.4Å; L720-V734 HydrophobicContact CD2-CB 4.42Å; L720-V734 HydrophobicContact CD2-CG1 3.95Å; L720-V734 HydrophobicContact CD2-CG2 3.78Å; F730-V734 HydrophobicContact CD2-CG2 3.83Å; F730-V734 HydrophobicContact CE1-CG2 4.36Å; F730-V734 HydrophobicContact CE2-CG2 3.38Å; F730-V734 HydrophobicContact CG-CG2 4.48Å; F730-V734 HydrophobicContact CZ-CG2 3.69Å; F730-V734 PolarHBondContact O-N 2.93Å; K731-V734 CarbonylContact O-C 3.59Å; K731-V734 PolarHBondContact O-N 2.63Å; K731-V734 VanDerWaalsContact O-N 3.11Å; V734-T736 PolarHBondContact O-N 2.79Å; V734-I737 PolarHBondContact O-N 3.24Å; V734-Q738 VanDerWaalsContact O-CB 3.3Å; V734-Q738 WeakPolarHBondContact O-CB 3.14Å; V734-Q738 PolarHBondContact O-N 3.39Å
735E85.3Confident78.6Confident115 Ų11563.6 Ų63.654%0.53734%0.335SS..Hα-helixtrans-53.6-43.1170.3-72.9156.6-161.900110.9K731 R732 A739K731-E735 WeakPolarHBondContact O-CB 3.21Å; K731-E735 VanDerWaalsContact O-CG 3.26Å; K731-E735 WeakPolarHBondContact O-CG 3.29Å; K731-E735 PolarHBondContact O-N 3.14Å; R732-E735 WeakPolarHBondContact CA-OE2 2.86Å; E735-A739 WeakPolarHBondContact O-CB 3.49Å; E735-A739 PolarHBondContact O-N 3.3Å
736T85.3Confident76.2Confident61 Ų6170 Ų7037%0.37436%0.362SS..Hα-helixtrans-67.8-42177.6-50.50000112.3I665 R732 V733 V734 Q740I665-T736 HydrophobicContact CD1-CG2 3.75Å; I665-T736 HydrophobicContact CG1-CG2 3.78Å; R732-T736 PolarHBondContact O-N 2.8Å; R732-T736 VanDerWaalsContact O-N 3.17Å; R732-T736 PolarHBondContact O-OG1 2.76Å; V733-T736 WeakPolarHBondContact O-CB 3.03Å; V733-T736 PolarHBondContact O-N 2.72Å; V734-T736 PolarHBondContact O-N 2.79Å; T736-Q740 WeakPolarHBondContact O-CG 3.47Å; T736-Q740 PolarHBondContact O-N 2.8Å
737I87.8Confident73.8Confident3 Ų375.8 Ų75.82%0.01539%0.385CS..Hα-helixtrans-64.3-47.6176.1-64.5164.7000110.1A661 F662 I665 F697 L720 V733 V734 A739 Q740 L741A661-I737 HydrophobicContact CB-CB 4.44Å; A661-I737 HydrophobicContact CB-CG1 4.44Å; A661-I737 HydrophobicContact CB-CG2 4.05Å; F662-I737 HydrophobicContact CD1-CD1 4.09Å; F662-I737 HydrophobicContact CE1-CD1 3.84Å; I665-I737 HydrophobicContact CD1-CD1 4.41Å; I665-I737 HydrophobicContact CD1-CG1 3.66Å; F697-I737 HydrophobicContact CE2-CD1 3.93Å; F697-I737 HydrophobicContact CZ-CD1 3.85Å; L720-I737 HydrophobicContact CD2-CD1 4.39Å; V733-I737 HydrophobicContact CG1-CD1 3.91Å; V733-I737 VanDerWaalsContact O-CG1 3.29Å; V733-I737 WeakPolarHBondContact O-CG1 3.3Å; V733-I737 PolarHBondContact O-N 2.8Å; V734-I737 PolarHBondContact O-N 3.24Å; I737-A739 PolarHBondContact O-N 3.12Å; I737-Q740 PolarHBondContact O-N 2.84Å; I737-Q740 VanDerWaalsContact O-N 3.16Å; I737-L741 HydrophobicContact CG2-CD1 3.7Å; I737-L741 HydrophobicContact CG2-CG 4.2Å; I737-L741 WeakPolarHBondContact O-CG 3.34Å; I737-L741 PolarHBondContact O-N 2.82Å
738Q84.9Confident71.7Confident75 Ų7579.5 Ų79.535%0.3541%0.407SS..Hα-helixtrans-61-42.5-179.7-176.9176.5-11.300112I644 V734 Q740 L741 L742I644-Q738 HydrophobicContact CD1-CB 3.69Å; I644-Q738 HydrophobicContact CD1-CG 4Å; I644-Q738 HydrophobicContact CG1-CB 4.39Å; I644-Q738 HydrophobicContact CG1-CG 4.21Å; I644-Q738 HydrophobicContact CG2-CG 4.37Å; V734-Q738 VanDerWaalsContact O-CB 3.3Å; V734-Q738 WeakPolarHBondContact O-CB 3.14Å; V734-Q738 PolarHBondContact O-N 3.39Å; Q738-Q740 VanDerWaalsContact C-N 3.28Å; Q738-Q740 PolarHBondContact O-N 2.85Å; Q738-L741 PolarHBondContact O-N 2.95Å; Q738-L742 HydrophobicContact CG-CD1 3.81Å; Q738-L742 WeakPolarHBondContact O-CB 3.36Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.43Å; Q738-L742 PolarHBondContact O-N 3.3Å
739A81.3Confident69.7Low59 Ų5974 Ų7449%0.48841%0.409SS..Hα-helixtrans-57.1-42.7175.500000111.7E735 I737 S743E735-A739 WeakPolarHBondContact O-CB 3.49Å; E735-A739 PolarHBondContact O-N 3.3Å; I737-A739 PolarHBondContact O-N 3.12Å; A739-S743 VanDerWaalsContact O-CB 3.26Å; A739-S743 WeakPolarHBondContact O-CB 3.17Å; A739-S743 PolarHBondContact O-N 3.36Å; A739-S743 PolarHBondContact O-OG 2.64Å
740Q80.6Confident67.3Low51 Ų5179.2 Ų79.224%0.23844%0.44CS..Hα-helixtrans-76.8-36-178-66.9-178.833.600113.8A661 S664 T736 I737 Q738 L742 S743A661-Q740 HydrophobicContact CB-CB 4.23Å; S664-Q740 PolarHBondContact OG-NE2 2.95Å; S664-Q740 PolarHBondContact OG-OE1 2.98Å; T736-Q740 WeakPolarHBondContact O-CG 3.47Å; T736-Q740 PolarHBondContact O-N 2.8Å; I737-Q740 PolarHBondContact O-N 2.84Å; I737-Q740 VanDerWaalsContact O-N 3.16Å; Q738-Q740 VanDerWaalsContact C-N 3.28Å; Q738-Q740 PolarHBondContact O-N 2.85Å; Q740-L742 PolarHBondContact O-N 3.18Å; Q740-S743 WeakPolarHBondContact CA-OG 3.39Å; Q740-S743 PolarHBondContact O-OG 3Å
741L81.7Confident64.4Low2 Ų287.9 Ų87.91%0.0148%0.48CS..Hα-helixtrans-62.6-28.9174.2-71.1169.1000112.8I644 I646 K649 D657 I658 L718 I737 Q738I644-L741 HydrophobicContact CD1-CD1 3.79Å; I644-L741 HydrophobicContact CG2-CD1 4.41Å; I646-L741 HydrophobicContact CD1-CB 4.41Å; I646-L741 HydrophobicContact CD1-CD2 4.19Å; K649-L741 PolarHBondContact NZ-O 2.85Å; D657-L741 HydrophobicContact CB-CD2 3.74Å; I658-L741 HydrophobicContact CG1-CD2 3.91Å; L718-L741 HydrophobicContact CD2-CD1 3.6Å; L718-L741 HydrophobicContact CD2-CD2 4.32Å; I737-L741 HydrophobicContact CG2-CD1 3.7Å; I737-L741 HydrophobicContact CG2-CG 4.2Å; I737-L741 WeakPolarHBondContact O-CG 3.34Å; I737-L741 PolarHBondContact O-N 2.82Å; Q738-L741 PolarHBondContact O-N 2.95Å
742L73Confident61.9Low92 Ų9291 Ų9148%0.48251%0.506SS..Hα-helixtrans-99.8-19.8-177.7-62176.5000113.6Q738 Q740Q738-L742 HydrophobicContact CG-CD1 3.81Å; Q738-L742 WeakPolarHBondContact O-CB 3.36Å; Q738-L742 VanDerWaalsContact O-CG 3.31Å; Q738-L742 WeakPolarHBondContact O-CG 3.43Å; Q738-L742 PolarHBondContact O-N 3.3Å; Q740-L742 PolarHBondContact O-N 3.18Å
743S65.5Low59.3Low89 Ų8990.8 Ų90.862%0.62251%0.512SS*.Hα-helixtrans-77.6-18.717964.50000114.1A739 Q740 N745A739-S743 VanDerWaalsContact O-CB 3.26Å; A739-S743 WeakPolarHBondContact O-CB 3.17Å; A739-S743 PolarHBondContact O-N 3.36Å; A739-S743 PolarHBondContact O-OG 2.64Å; Q740-S743 WeakPolarHBondContact CA-OG 3.39Å; Q740-S743 PolarHBondContact O-OG 3Å; S743-N745 PolarHBondContact O-N 2.87Å
744S53.4Low56.5Low59 Ų5999 Ų9941%0.41355%0.554SS.*SBendtrans-81.136.9179.854.80000113.5K649 D657K649-S744 PolarHBondContact NZ-OG 2.93Å; D657-S744 PolarHBondContact OD2-OG 3.37Å
745N46.1Very low53.6Low107 Ų107103.3 Ų103.357%0.57258%0.584SS**  trans-129.473.3-173.4-149.381.6000111.4S743 Q747S743-N745 PolarHBondContact O-N 2.87Å; N745-Q747 PolarHBondContact O-N 3.23Å
746D34.2Very low50.7Low168 Ų168101.1 Ų101.190%0.89859%0.593SS**  trans-66.885.7-179.4-86.5-49.4000112.6
747Q29.2Very low48.3Very low169 Ų169101 Ų10179%0.7959%0.594SS**  trans-139.9135.2152.5-76.7-157.92.300111.3N745 G749N745-Q747 PolarHBondContact O-N 3.23Å; Q747-G749 PolarHBondContact O-N 3.26Å
748P31.5Very low45.8Very low138 Ų138104.7 Ų104.790%0.89662%0.619SS**SBendtrans-79.5112.6178.631.2-33.1000111.6
749G36.2Very low43.2Very low73 Ų73103.8 Ų103.875%0.75362%0.616SS**  trans101.673.2156.200000117.4Q747Q747-G749 PolarHBondContact O-N 3.26Å
750I28.2Very low41Very low166 Ų166103.6 Ų103.685%0.85161%0.611SS**  trans-145.8135.8143.2-96.7147.2000107.3
751Q28.1Very low38.9Very low182 Ų182106 Ų10685%0.8563%0.625SS**PPolyproline II helixtrans-90.5123-179-162.9172.628.600109.9Q753Q751-Q753 PolarHBondContact O-N 3.5Å
752P29.4Very low36.8Very low115 Ų115107.8 Ų107.875%0.74763%0.633SS**PPolyproline II helixtrans-63.9123.9-174-25.235.2000113.7
753Q27.3Very low35.2Very low173 Ų173106.5 Ų106.581%0.80862%0.624SS**PPolyproline II helixtrans-74.4123.5173.1-74-175.4-42.200111.4Q751 S755Q751-Q753 PolarHBondContact O-N 3.5Å; Q753-S755 PolarHBondContact O-N 2.89Å
754I28.1Very low34Very low180 Ų180105.8 Ų105.892%0.92361%0.613SS**  trans-91.682.2168.1-54.3176.1000108
755S28.5Very low33.2Very low92 Ų92107 Ų10764%0.64362%0.618SS**  trans-137.982.5-175.358.10000112.6Q753Q753-S755 PolarHBondContact O-N 2.89Å
756G25.6Very low32.8Very low70 Ų70103.4 Ų103.472%0.72260%0.598SS**  trans-159.4101.5170.700000110.4P758G756-P758 WeakPolarHBondContact O-CD 3.35Å
757S34.4Very low33.1Very low58 Ų58101.8 Ų101.841%0.40658%0.583SS.*  trans-77.8118.6-177.556.70000111L759 S760S757-L759 PolarHBondContact O-N 3.48Å; S757-S760 PolarHBondContact O-OG 2.85Å
758P33.9Very low33.7Very low81 Ų8199.8 Ų99.853%0.52657%0.573SS.*THydrogen-bonded Turntrans-74.220.3-171.331.6-37.9000114.6K638 G756K638-P758 HydrophobicContact CD-CB 4.42Å; K638-P758 PolarHBondContact NZ-O 3.47Å; G756-P758 WeakPolarHBondContact O-CD 3.35Å
759L31.7Very low34Very low55 Ų5597.2 Ų97.229%0.28855%0.552SS.*THydrogen-bonded Turntrans-91.2-28.4174.7-79.8176000113.3S757 F763S757-L759 PolarHBondContact O-N 3.48Å; L759-F763 WeakPolarHBondContact O-CD2 3.46Å
760S34Very low34.2Very low55 Ų5596.1 Ų96.139%0.38553%0.526SS..Hα-helixtrans-61.6-59168.339.50000109.6S757 F762 F763 D764S757-S760 PolarHBondContact O-OG 2.85Å; S760-F762 PolarHBondContact O-N 2.83Å; S760-F763 PolarHBondContact O-N 2.9Å; S760-D764 PolarHBondContact O-N 3.25Å; S760-D764 VanDerWaalsContact O-OD2 3.06Å
761N37.8Very low34.7Very low101 Ų10191.5 Ų91.554%0.5451%0.509SS..Hα-helixtrans-57-25.1-173-5425000113.1V765N761-V765 VanDerWaalsContact O-CB 3.3Å; N761-V765 WeakPolarHBondContact O-CB 3.23Å; N761-V765 WeakPolarHBondContact O-CG2 3.48Å; N761-V765 PolarHBondContact O-N 3.46Å
762F36.2Very low35.2Very low40 Ų4087.6 Ų87.618%0.17549%0.494CS..Hα-helixtrans-69.1-47.3174.7178-97.9000112.5P180 L222 S760 D764 V765 I766P180-F762 HydrophobicContact CG-CZ 4.35Å; L222-F762 HydrophobicContact CD2-CE2 3.98Å; S760-F762 PolarHBondContact O-N 2.83Å; F762-D764 VanDerWaalsContact C-N 3.34Å; F762-V765 PolarHBondContact O-N 3.04Å; F762-I766 HydrophobicContact CD1-CD1 3.97Å; F762-I766 HydrophobicContact CE1-CD1 3.55Å; F762-I766 HydrophobicContact CZ-CD1 3.88Å; F762-I766 WeakPolarHBondContact O-CG1 3.33Å; F762-I766 PolarHBondContact O-N 2.86Å
763F39.2Very low35.5Very low66 Ų6688.5 Ų88.529%0.28949%0.488SS..Hα-helixtrans-74.2-28.3176.3-69.2-69000112.1S176 L759 S760 I766 K767S176-F763 WeakPolarHBondContact O-CE1 3.45Å; S176-F763 WeakPolarHBondContact O-CZ 3.35Å; L759-F763 WeakPolarHBondContact O-CD2 3.46Å; S760-F763 PolarHBondContact O-N 2.9Å; F763-I766 HydrophobicContact CD1-CD1 4.34Å; F763-I766 PolarHBondContact O-N 3.01Å; F763-K767 WeakPolarHBondContact O-CG 3.26Å; F763-K767 PolarHBondContact O-N 3.3Å
764D40.6Very low35.9Very low74 Ų7489.2 Ų89.240%0.39649%0.489SS..Hα-helixtrans-70.1-40.4172.9-57.8-42.3000111.3S760 F762 K767 Q768S760-D764 PolarHBondContact O-N 3.25Å; S760-D764 VanDerWaalsContact O-OD2 3.06Å; F762-D764 VanDerWaalsContact C-N 3.34Å; D764-K767 WeakPolarHBondContact O-CB 3.11Å; D764-K767 PolarHBondContact O-N 3.13Å; D764-Q768 WeakPolarHBondContact O-CB 3.46Å; D764-Q768 PolarHBondContact O-N 3.04Å
765V37.4Very low36.2Very low84 Ų8487.3 Ų87.351%0.50948%0.48SS..Hα-helixtrans-63.5-39.4171164.50000112.2N761 F762 Q768 L769N761-V765 VanDerWaalsContact O-CB 3.3Å; N761-V765 WeakPolarHBondContact O-CB 3.23Å; N761-V765 WeakPolarHBondContact O-CG2 3.48Å; N761-V765 PolarHBondContact O-N 3.46Å; F762-V765 PolarHBondContact O-N 3.04Å; V765-Q768 WeakPolarHBondContact O-CB 2.86Å; V765-Q768 PolarHBondContact O-N 3.01Å; V765-L769 HydrophobicContact CG1-CD1 3.97Å; V765-L769 HydrophobicContact CG1-CG 4.45Å; V765-L769 WeakPolarHBondContact O-CG 3.22Å; V765-L769 PolarHBondContact O-N 3.43Å
766I38.2Very low36.4Very low31 Ų3189.9 Ų89.916%0.15949%0.485CS..Hα-helixtrans-61-46.1172.9-73.4170.5000110.6F762 F763 Q768 L769 F770F762-I766 HydrophobicContact CD1-CD1 3.97Å; F762-I766 HydrophobicContact CE1-CD1 3.55Å; F762-I766 HydrophobicContact CZ-CD1 3.88Å; F762-I766 WeakPolarHBondContact O-CG1 3.33Å; F762-I766 PolarHBondContact O-N 2.86Å; F763-I766 HydrophobicContact CD1-CD1 4.34Å; F763-I766 PolarHBondContact O-N 3.01Å; I766-Q768 VanDerWaalsContact C-N 3.33Å; I766-Q768 PolarHBondContact O-N 3.12Å; I766-L769 PolarHBondContact O-N 3.07Å; I766-F770 HydrophobicContact CG2-CD2 3.9Å; I766-F770 HydrophobicContact CG2-CE2 3.95Å; I766-F770 VanDerWaalsContact O-CD2 3.23Å; I766-F770 WeakPolarHBondContact O-CD2 3.33Å; I766-F770 PolarHBondContact O-N 2.53Å
767K39.5Very low36.7Very low135 Ų13595.8 Ų95.859%0.58749%0.494SS*.Hα-helixtrans-61.4-38.8174.5-75.3172.6179.5174.20112.7F763 D764 F770 S771F763-K767 WeakPolarHBondContact O-CG 3.26Å; F763-K767 PolarHBondContact O-N 3.3Å; D764-K767 WeakPolarHBondContact O-CB 3.11Å; D764-K767 PolarHBondContact O-N 3.13Å; K767-F770 PolarHBondContact O-N 3.15Å; K767-S771 WeakPolarHBondContact O-CB 3.21Å; K767-S771 PolarHBondContact O-N 2.95Å; K767-S771 PolarHBondContact O-OG 3.03Å
768Q42Very low36.7Very low126 Ų12697.3 Ų97.359%0.58951%0.51SS*.Hα-helixtrans-60.3-54.2177.4-156.586.730.700110.1D764 V765 I766 F770 S771 D772D764-Q768 WeakPolarHBondContact O-CB 3.46Å; D764-Q768 PolarHBondContact O-N 3.04Å; V765-Q768 WeakPolarHBondContact O-CB 2.86Å; V765-Q768 PolarHBondContact O-N 3.01Å; I766-Q768 VanDerWaalsContact C-N 3.33Å; I766-Q768 PolarHBondContact O-N 3.12Å; Q768-F770 PolarHBondContact O-N 3.07Å; Q768-S771 PolarHBondContact O-N 3.05Å; Q768-D772 PolarHBondContact O-N 3.23Å
769L37Very low36.4Very low84 Ų8498.7 Ų98.744%0.4452%0.522SS..Hα-helixtrans-57.9-31.9-179-72.5167.4000113.7V765 I766V765-L769 HydrophobicContact CG1-CD1 3.97Å; V765-L769 HydrophobicContact CG1-CG 4.45Å; V765-L769 WeakPolarHBondContact O-CG 3.22Å; V765-L769 PolarHBondContact O-N 3.43Å; I766-L769 PolarHBondContact O-N 3.07Å
770F41.6Very low36.3Very low50 Ų50105 Ų10522%0.21955%0.55CS..Hα-helixtrans-93.2-10.1176.6-71.3-61.3000114.8I188 I766 K767 Q768I188-F770 VanDerWaalsContact O-CE2 3.26Å; I188-F770 WeakPolarHBondContact O-CE2 3.32Å; I766-F770 HydrophobicContact CG2-CD2 3.9Å; I766-F770 HydrophobicContact CG2-CE2 3.95Å; I766-F770 VanDerWaalsContact O-CD2 3.23Å; I766-F770 WeakPolarHBondContact O-CD2 3.33Å; I766-F770 PolarHBondContact O-N 2.53Å; K767-F770 PolarHBondContact O-N 3.15Å; Q768-F770 PolarHBondContact O-N 3.07Å
771S39.4Very low36.2Very low70 Ų70107.3 Ų107.349%0.4957%0.565SS.*Hα-helixtrans-79.2-37.6172.8-62.50000111.2K767 Q768 E773 K774K767-S771 WeakPolarHBondContact O-CB 3.21Å; K767-S771 PolarHBondContact O-N 2.95Å; K767-S771 PolarHBondContact O-OG 3.03Å; Q768-S771 PolarHBondContact O-N 3.05Å; S771-E773 PolarHBondContact O-N 2.8Å; S771-K774 PolarHBondContact O-N 3.1Å
772D36.9Very low36.2Very low99 Ų99108.7 Ų108.753%0.52958%0.58SS.*Hα-helixtrans-65.6-34.4-177-66.3-24.6000112.9Q768 K774 N775Q768-D772 PolarHBondContact O-N 3.23Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 2.75Å; D772-N775 PolarHBondContact O-N 3.32Å
773E37.3Very low35.7Very low134 Ų134110.7 Ų110.763%0.62661%0.611SS**G310 helixtrans-64.9-31.1175.7-72.7-163.612000113.2S771 N775S771-E773 PolarHBondContact O-N 2.8Å; E773-N775 VanDerWaalsContact C-N 3.3Å; E773-N775 PolarHBondContact O-N 3.5Å
774K35.1Very low35.3Very low189 Ų189112.1 Ų112.182%0.82264%0.635SS**G310 helixtrans-77.1-13.3-178.7-78.1-174175.11770114.1S771 D772S771-K774 PolarHBondContact O-N 3.1Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 2.75Å
775N33.1Very low35.9Very low139 Ų139114.3 Ų114.374%0.74365%0.654SS**G310 helixtrans-99.30.6-171.3-151.120.4000114.2D772 E773D772-N775 PolarHBondContact O-N 3.32Å; E773-N775 VanDerWaalsContact C-N 3.3Å; E773-N775 PolarHBondContact O-N 3.5Å
776I32.8Very low35.4Very low146 Ų146116.4 Ų116.475%0.74967%0.667SS**SBendtrans-83.9-13.9-174.3-68.5176.4000113
777Q32.1Very low35Very low195 Ų195119.6 Ų119.691%0.91169%0.692SS**SBendtrans-111.833.4-169.1-154.7157.813.200115.5
778A35.1Very low34.5Very low90 Ų90119 Ų11974%0.74470%0.7SS**  trans-15367.9175.600000115.1
779S28.6Very low33.8Very low110 Ų110118.3 Ų118.377%0.76971%0.709SS**  trans-152.7126160.3610000114.9
780H29.5Very low33.2Very low188 Ų188119.5 Ų119.587%0.8772%0.724SS**  trans-145.8101.9156.8-104.9-71.5000110.2
781S30.7Very low33.4Very low102 Ų102122.3 Ų122.371%0.71375%0.748SS**  trans41.1118.2149.258.30000121.5
782P37.8Very low32.9Very low131 Ų131124.1 Ų124.185%0.85176%0.756SS**  trans-98.4148.7144.735.6-29.4000112.3
783G26.7Very low32.5Very low81 Ų81128.1 Ų128.184%0.83577%0.769SS**  trans-90.7163.4166.800000112.4
784A30.9Very low32.1Very low96 Ų96130.2 Ų130.279%0.79378%0.778SS**  trans-132.6-158.6-170.100000111.7
785P52.4Low31.7Very low120 Ų120125.4 Ų125.478%0.77977%0.774SS**  -136.5175.7-8341.8-26.8000115.4
786T27.5Very low32.2Very low128 Ų128125 Ų12579%0.78578%0.778SS**  trans-151.5125.7152.734.90000107.4
787S29.3Very low31.9Very low99 Ų99121 Ų12169%0.69277%0.774SS**  64.2128.966.882.30000112.7
788T28.2Very low31.6Very low122 Ų122117 Ų11775%0.74877%0.767SS**  cis-155.3172.530.242.40000115
789S28.2Very low31.3Very low111 Ų111124 Ų12478%0.77677%0.774SS**  trans66.1116.3143.656.20000122.9
790S23.6Very low32.4Very low109 Ų109123.6 Ų123.676%0.76277%0.769SS**  trans-79.4178.6149.857.90000111.8
791P46.6Very low32.3Very low110 Ų110119.4 Ų119.471%0.71476%0.761SS**  cis-123.7-145.74.5243.9000111.6
792T28.6Very low32.2Very low107 Ų107123.8 Ų123.866%0.65677%0.77SS**  cis-164.5133.615.7-31.50000114.5
793K27.7Very low31.8Very low184 Ų184123.5 Ų123.580%0.877%0.766SS**  trans59.1160.1152.8-80.3176.1179.4-179.40122.2
794H29.7Very low33.3Very low178 Ų178125.1 Ų125.182%0.82476%0.762SS**  trans78.9116.6164-70.3-72.9000121
795A26.9Very low34.5Very low88 Ų88125.3 Ų125.373%0.72776%0.755SS**  trans-87.6177.6150.700000109
796P43Very low33.6Very low129 Ų129126.6 Ų126.684%0.83876%0.755SS**  cis-142.4-16515.644.6-25.1000115.9
797G26.1Very low33.7Very low64 Ų64127.4 Ų127.466%0.6676%0.755SS**  trans103.766.3132.400000121.2
798S26.8Very low33.9Very low110 Ų110127 Ų12777%0.76975%0.752SS**  trans34137.813362.60000123.9
799R28.9Very low34Very low237 Ų237131.2 Ų131.289%0.89476%0.76SS**  trans73.8164.8149.6-81.1-175.2173.8-170.8-1.1118.2
800P50.8Low34.1Very low102 Ų102131.6 Ų131.666%0.66276%0.761SS**  cis-139171.1-32.537.1-19.8000115.8
801S27.6Very low35.4Very low99 Ų99131.7 Ų131.769%0.69276%0.759SS**  trans50125.9143.562.70000122.6
802Q28.3Very low35.8Very low195 Ų195132.1 Ų132.191%0.91176%0.762SS**  -164.7165.8116.8-107.1166.156.700113.3
803T31Very low36Very low124 Ų124130.3 Ų130.376%0.76176%0.764SS**  trans-138.4-179.8-173.749.90000108.3
804P56.8Low36.2Very low116 Ų116131.5 Ų131.575%0.75377%0.77SS**  cis-120.7-132.1-30.228.7-3.3000107.1
805P57.2Low36.6Very low99 Ų99130.6 Ų130.664%0.64377%0.771SS**  cis-135.9173.8-20.441.2-23.8000117
806N32.5Very low37.1Very low147 Ų147135.7 Ų135.779%0.78678%0.777SS**  trans60.9149.6156.8-65.25.9000118.2
807D30.3Very low36.6Very low145 Ų145135.7 Ų135.778%0.77577%0.774SS**  cis-147.6-17032.7-145.4-29.9000115.1
808S32.2Very low36.9Very low91 Ų91141.7 Ų141.764%0.63678%0.782SS**  trans-101.9142.7-152.7-45.10000114.9
809K31.4Very low37.1Very low211 Ų211144.5 Ų144.592%0.91779%0.785SS**  177.2158.1125.4-98.3159.1-174.7171.60116.2
810C29.3Very low37.1Very low118 Ų118138 Ų13880%0.79778%0.782SS**  trans-132.7-169.3168.9-137.60000105.9
811P52.3Low36.2Very low112 Ų112138.4 Ų138.473%0.72779%0.794SS**  cis-133.2-121.91.927.41.4000114.4
812P55.2Low36.4Very low118 Ų118139.1 Ų139.177%0.76680%0.799SS**  -131.8172.9-99.340.5-24.2000117.6
813G31.6Very low36.5Very low69 Ų69134.7 Ų134.771%0.71179%0.79SS**  trans158159.6145.900000115.5
814K33.2Very low36.5Very low210 Ų210139.6 Ų139.691%0.91379%0.794SS**  cis-172.8116.7-26.5-133.3178.3-176.4177.50108.5
815D37.6Very low35.4Very low159 Ų159139.6 Ų139.685%0.8579%0.792SS**  trans-80.9165.2171.4-102.8-53.6000113.1
816K37Very low34.2Very low194 Ų194142.4 Ų142.484%0.84380%0.797SS**  trans117.4145.8173.5-72.2173.6-179.6-178.50113.1
817T33.4Very low34.6Very low129 Ų129142.3 Ų142.379%0.79179%0.792SS**  cis-150.6-173.84.80.20000108.2
818K31.2Very low34.9Very low190 Ų190143.1 Ų143.183%0.82679%0.791SS**  cis-138.8-112.118.2-161.4-174.4178-176.80113.4
819M31.1Very low36.3Very low169 Ų169147.6 Ų147.683%0.83382%0.818SS**  trans-160151.5-168.1-78.3176.6147.600111.2
820A30Very low36.6Very low101 Ų101144.5 Ų144.584%0.83581%0.813SS**  trans52.4122.4141.600000122.2
821A30.6Very low37Very low110 Ų110145.8 Ų145.891%0.90981%0.813SS**  trans-147.2160.5130.300000109.1
822S32.3Very low36.1Very low114 Ų114147.7 Ų147.780%0.79782%0.818SS**  trans-117.9141.3-175.1175.40000111.4
823S30.4Very low35Very low102 Ų102149.5 Ų149.571%0.71382%0.821SS**  169.6146.5112.350.20000115.7
824R31Very low35.2Very low227 Ų227154.5 Ų154.586%0.85783%0.828SS**  trans63.9116.6144.8-84.8-178.9174.4170.6-1.7122.2
825T33.5Very low35.3Very low116 Ų116150.8 Ų150.871%0.71282%0.823SS**  42.6142.2122.557.50000120.3
826Q31.7Very low35.2Very low159 Ų159150.2 Ų150.274%0.74382%0.821SS**  cis-157.7171.125.3-147.3169.3-34.200114
827E42Very low35Very low144 Ų144146.8 Ų146.867%0.67382%0.819SS**  trans-23.5136169.8-64.6162.497.100121.1
828H36.7Very low35.2Very low163 Ų163148.3 Ų148.376%0.75582%0.821SS**  58.3165.8130-79-56000122
829P61.4Low35.5Very low185 Ų185144.5 Ų144.5100%1.20182%0.821SS**  cis-75.80-2-13.431.7000114.9

Retrieved 829 of 829 residues in 368.7 ms (Link to these results)

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