A0A087Y1C4_POEFO Loading...

Polymerase (RNA) III (DNA directed) polypeptide E

AlphaFold DB , UniProt , Accession A0A087Y1C4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 686 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
1M31.1Very low58.9Low245 Ų245145.1 Ų145.1100%1.20784%0.836SS**  0135.40-62.8172-178.300105.8
2A35.5Very low61.2Low97 Ų97143.3 Ų143.380%0.80281%0.814SS**  trans-89143.3163.500000107.4
3S46.7Very low63.3Low123 Ų123146.3 Ų146.386%0.8682%0.817SS**  trans-148.397.6177.653.60000106.1
4G47.9Very low65.2Low74 Ų74140.7 Ų140.776%0.76378%0.784SS**  trans163.76.7-167.900000116.2
5D48.8Very low66.8Low148 Ų148137.6 Ų137.679%0.79177%0.765SS**  trans-89.9111.7159-58.7-49.6000106.4
6E52.9Low68.3Low194 Ų194134.4 Ų134.491%0.90775%0.75SS**PPolyproline II helixtrans-81.5127.2158.8-69.1-171.1137.900106.6D8E6-D8 PolarHBondContact O-N 3.44Å
7D59.6Low69.6Low156 Ų156129.4 Ų129.483%0.83472%0.717SS**PPolyproline II helixtrans-61.6120.9-171.9-63.8-68.9000111.8P9D7-P9 WeakPolarHBondContact O-CD 3.28Å
8D72.8Confident70.7Confident144 Ų144127.5 Ų127.577%0.7771%0.705SS**PPolyproline II helixtrans-59.3116.9169.2-174.321.9000108.5E6 I10E6-D8 PolarHBondContact O-N 3.44Å; D8-I10 PolarHBondContact O-N 2.93Å
9P83.3Confident71.7Confident97 Ų97120.9 Ų120.963%0.6367%0.669SS**PPolyproline II helixtrans-65.8121.3-167.824.3-34.6000111.3D7 I11D7-P9 WeakPolarHBondContact O-CD 3.28Å; P9-I11 VanDerWaalsContact O-CG1 3.29Å; P9-I11 WeakPolarHBondContact O-CG1 3.3Å; P9-I11 PolarHBondContact O-N 3.49Å
10I82.8Confident72.5Confident152 Ų152122.7 Ų122.778%0.77967%0.669SS**  trans-57.2111-179.5-58.4171.6000110D8D8-I10 PolarHBondContact O-N 2.93Å
11I87.1Confident73.3Confident166 Ų166119.9 Ų119.985%0.85166%0.659SS**  trans-84.4-40.8-177.4-54.4-178000111.5P9P9-I11 VanDerWaalsContact O-CG1 3.29Å; P9-I11 WeakPolarHBondContact O-CG1 3.3Å; P9-I11 PolarHBondContact O-N 3.49Å
12E86.1Confident76.2Confident123 Ų123108.9 Ų108.958%0.57561%0.605SS**  trans-149.1136.4-176.2-168.2176.4-179.100109.2I14E12-I14 HydrophobicContact CG-CD1 4.45Å; E12-I14 HydrophobicContact CG-CG1 4.05Å
13E88.2Confident78.7Confident183 Ų183105.2 Ų105.286%0.85557%0.574SS**  trans-106123.1172.5-173.7169.8-163.300108.2
14I90.6Very high80.7Confident68 Ų68106.2 Ų106.235%0.34957%0.57SS.*  trans-116.3117.2-171-69.9173.7000109.2E12 F120 G123 L125E12-I14 HydrophobicContact CG-CD1 4.45Å; E12-I14 HydrophobicContact CG-CG1 4.05Å; I14-F120 HydrophobicContact CD1-CE2 3.97Å; I14-F120 HydrophobicContact CD1-CZ 4.28Å; I14-F120 HydrophobicContact CG1-CE2 4.33Å; I14-F120 HydrophobicContact CG2-CE2 4.04Å; I14-G123 WeakPolarHBondContact CG2-O 3.42Å; I14-L125 HydrophobicContact CG2-CB 3.97Å
15D89.3Confident82.8Confident94 Ų94109.5 Ų109.550%0.50356%0.564SS.*EExtended strand (participates in β ladder)trans-70.8132.6178.6-110.8-13.5000111Y17 G123 L125D15-Y17 HydrophobicContact CB-CE1 4.23Å; D15-Y17 HydrophobicContact CB-CE2 4.01Å; D15-Y17 PolarHBondContact OD2-OH 3.46Å; D15-G123 PolarHBondContact N-O 2.97Å; D15-L125 PolarHBondContact O-N 3.47Å
16V90.8Very high84.9Confident86 Ų86104.2 Ų104.252%0.52154%0.535SS..EExtended strand (participates in β ladder)trans-116.3109.7-175.8-1740000111.2L125 I127V16-L125 WeakPolarHBondContact CA-O 3.36Å; V16-L125 HydrophobicContact CG1-CD2 4.46Å; V16-L125 HydrophobicContact CG2-CB 4.4Å; V16-L125 HydrophobicContact CG2-CD2 4.3Å; V16-I127 HydrophobicContact CG1-CD1 3.45Å; V16-I127 VanDerWaalsContact CG1-CD1 3.45Å; V16-I127 HydrophobicContact CG1-CG1 4.04Å
17Y89.4Confident86.9Confident50 Ų5097.9 Ų97.920%0.19650%0.503CS..EExtended strand (participates in β ladder)trans-107.4151.7-177.5-53.3-59.8000112.3D15 E124 L125 H126 I127 V231D15-Y17 HydrophobicContact CB-CE1 4.23Å; D15-Y17 HydrophobicContact CB-CE2 4.01Å; D15-Y17 PolarHBondContact OD2-OH 3.46Å; Y17-E124 HydrophobicContact CD2-CB 4.33Å; Y17-E124 HydrophobicContact CE2-CB 3.98Å; Y17-E124 HydrophobicContact CE2-CG 3.91Å; Y17-L125 PolarHBondContact N-O 3.25Å; Y17-H126 WeakPolarHBondContact CB-CE1 3.44Å; Y17-H126 AromaticContact CD2-CE1 3.21Å; Y17-H126 WeakPolarHBondContact CD2-CE1 3.31Å; Y17-H126 AromaticContact CD2-ND1 3.54Å; Y17-H126 AromaticContact CD2-NE2 3.2Å; Y17-H126 WeakPolarHBondContact CD2-NE2 3.26Å; Y17-H126 AromaticContact CE2-NE2 3.52Å; Y17-H126 AromaticContact CG-CE1 3.48Å; Y17-H126 VanDerWaalsContact CG-CE1 3.48Å; Y17-I127 PolarHBondContact O-N 3.21Å; Y17-V231 HydrophobicContact CE1-CG1 4.36Å
18L89.4Confident88.6Confident95 Ų9593.7 Ų93.750%0.49748%0.481SS..EExtended strand (participates in β ladder)trans-113.2105.1179.1178.364.9000111.4K20 I127 P129L18-K20 HydrophobicContact CG-CG 4.46Å; L18-I127 CarbonylContact C-O 3.54Å; L18-I127 WeakPolarHBondContact CA-O 3.36Å; L18-I127 HydrophobicContact CD1-CG2 4.48Å; L18-P129 HydrophobicContact CD1-CG 4.24Å
19S89.8Confident89.6Confident2 Ų289.9 Ų89.91%0.01446%0.46CS..  trans-81.8135.8168.4-175.80000110.8S21 I127 P129 Y225 L226S19-S21 PolarHBondContact OG-OG 3.22Å; S19-I127 PolarHBondContact N-O 2.93Å; S19-P129 WeakPolarHBondContact O-CD 3.22Å; S19-Y225 PolarHBondContact OG-O 2.87Å; S19-L226 WeakPolarHBondContact CB-O 3.15Å
20K88.4Confident90.1Very high156 Ų15688.9 Ų88.968%0.67845%0.447SS*.  trans-109.7-8.1175.5-64.4179-177.3172.70112.9L18 L22 A23L18-K20 HydrophobicContact CG-CG 4.46Å; K20-L22 PolarHBondContact O-N 3.11Å; K20-L22 VanDerWaalsContact O-N 3.09Å; K20-A23 WeakPolarHBondContact O-CB 3.4Å; K20-A23 PolarHBondContact O-N 2.97Å; K20-A23 VanDerWaalsContact O-N 3.11Å
21S89.4Confident90.7Very high64 Ų6484.1 Ų84.145%0.44842%0.419SS..THydrogen-bonded Turntrans-58.9-27.7-169.9-48.30000114.8S19 Y225S19-S21 PolarHBondContact OG-OG 3.22Å; S21-Y225 WeakPolarHBondContact CB-O 3.47Å
22L91.1Very high91Very high14 Ų1479.8 Ų79.87%0.07340%0.402CS..THydrogen-bonded Turntrans-119.510.7179.2-62.7177.6000113.7K20 D24 K25 L26 T128 L226K20-L22 PolarHBondContact O-N 3.11Å; K20-L22 VanDerWaalsContact O-N 3.09Å; L22-D24 VanDerWaalsContact C-N 3.26Å; L22-D24 PolarHBondContact O-N 3.47Å; L22-D24 VanDerWaalsContact O-N 3.16Å; L22-K25 HydrophobicContact CD2-CB 4.5Å; L22-K25 HydrophobicContact CD2-CD 4.24Å; L22-K25 PolarHBondContact O-N 2.89Å; L22-L26 HydrophobicContact CB-CB 4.33Å; L22-L26 WeakPolarHBondContact O-CB 3.24Å; L22-L26 PolarHBondContact O-N 2.91Å; L22-T128 HydrophobicContact CB-CG2 4.16Å; L22-L226 HydrophobicContact CD1-CD2 3.83Å; L22-L226 HydrophobicContact CD1-CG 4.06Å
23A88.3Confident91.2Very high20 Ų2078.9 Ų78.917%0.16540%0.404CS..THydrogen-bonded Turntrans-58.1-33.7-172.400000114.1K20 P129 T131K20-A23 WeakPolarHBondContact O-CB 3.4Å; K20-A23 PolarHBondContact O-N 2.97Å; K20-A23 VanDerWaalsContact O-N 3.11Å; A23-P129 HydrophobicContact CB-CB 4.18Å; A23-P129 HydrophobicContact CB-CG 4.18Å; A23-T131 PolarHBondContact O-OG1 3.22Å
24D89.4Confident91.4Very high145 Ų14574.5 Ų74.578%0.77538%0.38SS*.THydrogen-bonded Turntrans-93.55.6177.8-58.1-42.4000113.8L22 T131L22-D24 VanDerWaalsContact C-N 3.26Å; L22-D24 PolarHBondContact O-N 3.47Å; L22-D24 VanDerWaalsContact O-N 3.16Å; D24-T131 WeakPolarHBondContact CA-OG1 3.49Å
25K91.4Very high91.5Very high143 Ų14374.8 Ų74.862%0.62239%0.386SS*.THydrogen-bonded Turntrans-128.2-18.3-174.4-60.5178.6-175.6171.80114.6L22 Y27 T131L22-K25 HydrophobicContact CD2-CB 4.5Å; L22-K25 HydrophobicContact CD2-CD 4.24Å; L22-K25 PolarHBondContact O-N 2.89Å; K25-Y27 WeakPolarHBondContact O-CD2 3.44Å; K25-Y27 PolarHBondContact O-N 3.09Å; K25-T131 PolarHBondContact N-OG1 2.8Å
26L93.7Very high91.4Very high36 Ų3674.1 Ų74.119%0.18840%0.402CS..  trans-86.9109.4-170.9-168.863.8000112.1L22 A117 T128 L130 T131 L226L22-L26 HydrophobicContact CB-CB 4.33Å; L22-L26 WeakPolarHBondContact O-CB 3.24Å; L22-L26 PolarHBondContact O-N 2.91Å; L26-A117 HydrophobicContact CD2-CB 3.83Å; L26-T128 HydrophobicContact CD2-CG2 3.72Å; L26-L130 HydrophobicContact CB-CD2 4.45Å; L26-L130 HydrophobicContact CD2-CD2 3.92Å; L26-L130 HydrophobicContact CG-CD2 3.82Å; L26-T131 PolarHBondContact N-OG1 3.32Å; L26-T131 PolarHBondContact O-N 2.96Å; L26-T131 PolarHBondContact O-OG1 3.33Å; L26-L226 HydrophobicContact CD1-CD2 4.28Å; L26-L226 HydrophobicContact CD2-CD2 3.76Å
27Y94.1Very high91.5Very high61 Ų6176.2 Ų76.224%0.23942%0.415CS..EExtended strand (participates in β ladder)trans-106.8136.1176.4-71.4-94.4000111.7K25 Q55 T131 G132 L134K25-Y27 WeakPolarHBondContact O-CD2 3.44Å; K25-Y27 PolarHBondContact O-N 3.09Å; Y27-Q55 HydrophobicContact CE1-CB 4.15Å; Y27-Q55 HydrophobicContact CE1-CG 4.01Å; Y27-T131 HydrophobicContact CE2-CG2 4.16Å; Y27-G132 WeakPolarHBondContact CA-O 3.35Å; Y27-L134 HydrophobicContact CD1-CD1 3.9Å; Y27-L134 HydrophobicContact CD1-CG 4.2Å
28L94.8Very high91.6Very high69 Ų6978.6 Ų78.636%0.36143%0.429SS..EExtended strand (participates in β ladder)trans-93.3107.8171.6178.759.1000110Q30 L130 G132 I133 L134L28-Q30 HydrophobicContact CG-CG 4.17Å; L28-L130 HydrophobicContact CB-CD1 4.06Å; L28-L130 HydrophobicContact CB-CD2 4.27Å; L28-L130 HydrophobicContact CD2-CD1 4.16Å; L28-G132 PolarHBondContact N-O 3.16Å; L28-I133 HydrophobicContact CB-CG1 4.28Å; L28-I133 HydrophobicContact CB-CG2 4.42Å; L28-I133 HydrophobicContact CD2-CG1 4.49Å; L28-I133 HydrophobicContact CD2-CG2 4.23Å; L28-I133 HydrophobicContact CG-CG2 4.44Å; L28-L134 PolarHBondContact O-N 3.44Å
29L94.7Very high91.6Very high63 Ų6377.5 Ų77.533%0.3343%0.426SS..EExtended strand (participates in β ladder)trans-88.5126.1173.2-53.7-172.2000110.4Y31 L57 L134 M136L29-Y31 HydrophobicContact CB-CE2 4.34Å; L29-L57 HydrophobicContact CD1-CD2 3.71Å; L29-L57 HydrophobicContact CD2-CD2 3.73Å; L29-L57 HydrophobicContact CG-CD2 4.4Å; L29-L134 HydrophobicContact CD2-CB 3.89Å; L29-L134 HydrophobicContact CD2-CD1 3.95Å; L29-L134 HydrophobicContact CD2-CG 4.36Å; L29-M136 HydrophobicContact CB-CG 4.36Å; L29-M136 HydrophobicContact CD2-SD 4.33Å
30Q94.1Very high91.5Very high77 Ų7779 Ų7936%0.3643%0.432SS..EExtended strand (participates in β ladder)trans-118.5143.4178.1-62.4-179-17.300110L28 P32 L134 Q135 M136L28-Q30 HydrophobicContact CG-CG 4.17Å; Q30-P32 WeakPolarHBondContact O-CD 3.44Å; Q30-L134 PolarHBondContact N-O 3.17Å; Q30-Q135 HydrophobicContact CB-CG 4.49Å; Q30-Q135 CarbonylContact O-C 3.58Å; Q30-M136 PolarHBondContact O-N 3.45Å
31Y94.5Very high91.4Very high51 Ų5174.9 Ų74.920%0.242%0.417CS..  trans-121.381179.1-65.9-95.1000110.1L29 V33 R34 Y40 M61 F103 M136L29-Y31 HydrophobicContact CB-CE2 4.34Å; Y31-V33 PolarHBondContact O-N 2.98Å; Y31-R34 PolarHBondContact O-N 3.41Å; Y31-Y40 HydrophobicContact CD1-CD2 4.26Å; Y31-Y40 AromaticContact CD1-CE2 3.58Å; Y31-Y40 HydrophobicContact CD1-CE2 3.58Å; Y31-Y40 HydrophobicContact CD2-CE2 4.45Å; Y31-Y40 HydrophobicContact CE1-CD2 4.17Å; Y31-Y40 AromaticContact CE1-CE2 3.84Å; Y31-Y40 HydrophobicContact CE1-CE2 3.84Å; Y31-Y40 HydrophobicContact CE2-CD2 4.49Å; Y31-Y40 HydrophobicContact CG-CD2 4.47Å; Y31-Y40 AromaticContact CG-CE2 3.92Å; Y31-Y40 HydrophobicContact CG-CE2 3.92Å; Y31-M61 HydrophobicContact CE1-CE 4.13Å; Y31-F103 HydrophobicContact CD1-CD1 4.36Å; Y31-F103 HydrophobicContact CD1-CE1 4.36Å; Y31-F103 HydrophobicContact CE1-CD1 4.26Å; Y31-M136 HydrophobicContact CD1-CB 3.61Å; Y31-M136 HydrophobicContact CD1-CG 4.33Å; Y31-M136 HydrophobicContact CE1-CB 3.47Å; Y31-M136 VanDerWaalsContact CE1-CB 3.47Å; Y31-M136 HydrophobicContact CE1-CG 3.83Å; Y31-M136 HydrophobicContact CE2-CG 4.34Å; Y31-M136 HydrophobicContact CG-CB 4.26Å
32P93.3Very high91.2Very high75 Ų7578.2 Ų78.249%0.48743%0.43SS..THydrogen-bonded Turntrans-62.3-15.7-167.3-24.935.3000115.9Q30 Q135 M136Q30-P32 WeakPolarHBondContact O-CD 3.44Å; P32-Q135 HydrophobicContact CG-CB 4.17Å; P32-Q135 HydrophobicContact CG-CG 3.96Å; P32-M136 WeakPolarHBondContact CD-O 3.34Å
33V91.6Very high91Very high104 Ų10479.7 Ų79.763%0.6344%0.44SS*.THydrogen-bonded Turntrans-101.88.7-179.8-610000113.3Y31 P138Y31-V33 PolarHBondContact O-N 2.98Å; V33-P138 HydrophobicContact CG2-CG 4.29Å
34R90.6Very high91.1Very high92 Ų9282.5 Ų82.535%0.34746%0.458SS..SBendtrans-122.9121.8-175.2-170.472.9165.5170.6-1.8110.2Y31 M38 T39 Y40Y31-R34 PolarHBondContact O-N 3.41Å; R34-M38 WeakPolarHBondContact CD-O 3.34Å; R34-M38 WeakPolarHBondContact CG-O 3.44Å; R34-M38 PolarHBondContact NE-O 3.43Å; R34-M38 PolarHBondContact NH2-O 2.99Å; R34-T39 PolarHBondContact NH2-O 2.94Å; R34-Y40 HydrophobicContact CB-CE2 4.34Å; R34-Y40 HydrophobicContact CG-CE2 3.79Å
35P92.7Very high91.2Very high73 Ų7376.9 Ų76.947%0.47443%0.427SS..  trans-62.2144.9174.3-22.934.2000111.9T37 M38P35-T37 PolarHBondContact O-N 2.88Å; P35-T37 VanDerWaalsContact O-N 3.1Å; P35-M38 PolarHBondContact O-N 3.28Å
36G89.1Confident91.2Very high80 Ų8074.7 Ų74.783%0.82542%0.422SS*.THydrogen-bonded Turntrans-62.2-18.4179.900000114.9M38G36-M38 VanDerWaalsContact C-N 3.28Å
37T92.1Very high91.1Very high130 Ų13074.2 Ų74.280%0.79842%0.421SS*.THydrogen-bonded Turntrans-76.9-10172.650.80000113.9P35P35-T37 PolarHBondContact O-N 2.88Å; P35-T37 VanDerWaalsContact O-N 3.1Å
38M90.9Very high91.2Very high100 Ų10071.6 Ų71.649%0.49341%0.412SS..SBendtrans-120.281.7-177.3-64-171.9172.900109.9R34 P35 G36R34-M38 WeakPolarHBondContact CD-O 3.34Å; R34-M38 WeakPolarHBondContact CG-O 3.44Å; R34-M38 PolarHBondContact NE-O 3.43Å; R34-M38 PolarHBondContact NH2-O 2.99Å; P35-M38 PolarHBondContact O-N 3.28Å; G36-M38 VanDerWaalsContact C-N 3.28Å
39T88.9Confident91.2Very high73 Ų7369.9 Ų69.945%0.44840%0.402SS..  trans-72.9-174.3179.770.90000112.2R34 D41R34-T39 PolarHBondContact NH2-O 2.94Å; T39-D41 WeakPolarHBondContact CB-OD2 3.27Å; T39-D41 PolarHBondContact OG1-OD2 2.91Å
40Y88.9Confident91.2Very high34 Ų3467.9 Ų67.913%0.13339%0.392CS..SBendtrans-116.311.1173.3-70.4-79.7000112.1Y31 R34 D42 V43 M61 F103Y31-Y40 HydrophobicContact CD1-CD2 4.26Å; Y31-Y40 AromaticContact CD1-CE2 3.58Å; Y31-Y40 HydrophobicContact CD1-CE2 3.58Å; Y31-Y40 HydrophobicContact CD2-CE2 4.45Å; Y31-Y40 HydrophobicContact CE1-CD2 4.17Å; Y31-Y40 AromaticContact CE1-CE2 3.84Å; Y31-Y40 HydrophobicContact CE1-CE2 3.84Å; Y31-Y40 HydrophobicContact CE2-CD2 4.49Å; Y31-Y40 HydrophobicContact CG-CD2 4.47Å; Y31-Y40 AromaticContact CG-CE2 3.92Å; Y31-Y40 HydrophobicContact CG-CE2 3.92Å; R34-Y40 HydrophobicContact CB-CE2 4.34Å; R34-Y40 HydrophobicContact CG-CE2 3.79Å; Y40-D42 VanDerWaalsContact C-N 3.28Å; Y40-D42 PolarHBondContact O-N 2.94Å; Y40-V43 HydrophobicContact CD1-CG2 4.16Å; Y40-V43 WeakPolarHBondContact O-CB 3.42Å; Y40-V43 PolarHBondContact O-N 3.43Å; Y40-V43 VanDerWaalsContact O-N 3.07Å; Y40-M61 HydrophobicContact CD1-CE 3.87Å; Y40-M61 HydrophobicContact CD1-SD 3.48Å; Y40-M61 WeakPolarHBondContact CD1-SD 3.37Å; Y40-M61 HydrophobicContact CD2-CE 4.32Å; Y40-M61 HydrophobicContact CE1-CE 4.23Å; Y40-M61 HydrophobicContact CE1-SD 3.63Å; Y40-M61 HydrophobicContact CG-CE 3.92Å; Y40-M61 HydrophobicContact CG-SD 4.16Å; Y40-F103 HydrophobicContact CE1-CZ 4.23Å; Y40-F103 WeakPolarHBondContact OH-CZ 3.48Å
41D85.9Confident91.1Very high68 Ų6865 Ų6536%0.36438%0.377SS..THydrogen-bonded Turntrans-65.2-30.4-170.1-55.4-55.7000113.6T39T39-D41 WeakPolarHBondContact CB-OD2 3.27Å; T39-D41 PolarHBondContact OG1-OD2 2.91Å
42D84.8Confident90.8Very high134 Ų13465.1 Ų65.172%0.71739%0.385SS*.THydrogen-bonded Turntrans-98.112.4179.2-56.6-45.3000112.3Y40 K215Y40-D42 VanDerWaalsContact C-N 3.28Å; Y40-D42 PolarHBondContact O-N 2.94Å; D42-K215 IonicContact OD1-NZ 3.56Å; D42-K215 PolarHBondContact OD1-NZ 3.36Å; D42-K215 IonicContact OD2-NZ 2.68Å
43V88.4Confident90.5Very high46 Ų4670.6 Ų70.628%0.27940%0.401SS..SBendtrans-100.7126.1177.4-178.90000110Y40 H45 M61Y40-V43 HydrophobicContact CD1-CG2 4.16Å; Y40-V43 WeakPolarHBondContact O-CB 3.42Å; Y40-V43 PolarHBondContact O-N 3.43Å; Y40-V43 VanDerWaalsContact O-N 3.07Å; V43-H45 PolarHBondContact O-N 2.67Å; V43-H45 PolarHBondContact O-ND1 2.85Å; V43-M61 HydrophobicContact CG1-CB 4.01Å; V43-M61 HydrophobicContact CG1-CG 4.45Å
44S89.1Confident90.2Very high79 Ų7968 Ų6855%0.55238%0.382SS*.PPolyproline II helixtrans-66.2119.1176.7-174.50000111A62S44-A62 PolarHBondContact O-N 2.94Å
45H92.1Very high90.1Very high26 Ų2665 Ų6512%0.1237%0.372CS..EExtended strand (participates in β ladder)trans-90.2120.2174.6-68.858000108.8V43 Y211V43-H45 PolarHBondContact O-N 2.67Å; V43-H45 PolarHBondContact O-ND1 2.85Å; H45-Y211 HydrophobicContact CB-CD1 3.58Å; H45-Y211 HydrophobicContact CB-CD2 4.17Å; H45-Y211 HydrophobicContact CB-CE1 4.02Å; H45-Y211 HydrophobicContact CB-CG 3.66Å; H45-Y211 AromaticContact CD2-CD2 3.53Å; H45-Y211 AromaticContact CD2-CE2 3.37Å; H45-Y211 WeakPolarHBondContact CD2-CE2 3.22Å; H45-Y211 AromaticContact CD2-CG 3.95Å; H45-Y211 AromaticContact CD2-CZ 3.65Å; H45-Y211 AromaticContact CE1-CE1 3.98Å; H45-Y211 AromaticContact CE1-CE2 3.95Å; H45-Y211 AromaticContact CE1-CZ 3.52Å; H45-Y211 PolarHBondContact CE1-OH 2.81Å; H45-Y211 AromaticContact CG-CD1 3.73Å; H45-Y211 AromaticContact CG-CD2 3.92Å; H45-Y211 AromaticContact CG-CE1 3.66Å; H45-Y211 AromaticContact CG-CE2 3.86Å; H45-Y211 AromaticContact CG-CG 3.85Å; H45-Y211 AromaticContact CG-CZ 3.73Å; H45-Y211 AromaticContact ND1-CE1 3.62Å; H45-Y211 AromaticContact ND1-CZ 3.64Å; H45-Y211 AromaticContact NE2-CE2 3.46Å; H45-Y211 WeakPolarHBondContact NE2-CE2 3.24Å; H45-Y211 AromaticContact NE2-CZ 3.54Å
46L90.9Very high90Very high97 Ų9766 Ų6651%0.50837%0.366SS..EExtended strand (participates in β ladder)trans-88.2-39-173.4-62.2175.4000112.6E60 A62 K100L46-E60 HydrophobicContact CB-CB 4.28Å; L46-E60 PolarHBondContact N-O 2.93Å; L46-A62 HydrophobicContact CD1-CB 4.03Å; L46-A62 HydrophobicContact CD2-CB 4.1Å; L46-A62 HydrophobicContact CG-CB 4.01Å; L46-K100 HydrophobicContact CD1-CB 3.78Å
47S92.6Very high90.3Very high26 Ų2662.8 Ų62.818%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-153.2154.5174.794.70000111.7K49 E60S47-K49 WeakPolarHBondContact OG-CE 3.35Å; S47-E60 PolarHBondContact N-O 3.21Å; S47-E60 PolarHBondContact O-N 3.08Å; S47-E60 PolarHBondContact OG-OE2 3.39Å
48A94.8Very high90.4Very high6 Ų658.4 Ų58.45%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-134.3135.8170.200000109E58 L59 L209A48-E58 WeakPolarHBondContact CA-O 3.32Å; A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; A48-L209 HydrophobicContact CB-CB 4.02Å; A48-L209 PolarHBondContact O-N 3.3Å
49K94.6Very high90.6Very high33 Ų3354 Ų5414%0.14328%0.279CS..EExtended strand (participates in β ladder)trans-138.6134.9-177.4-52.2169.4-158.7138.90109.8S47 L57 E58 E60 W206 I207S47-K49 WeakPolarHBondContact OG-CE 3.35Å; K49-L57 CarbonylContact O-C 3.51Å; K49-L57 WeakPolarHBondContact O-CA 3.5Å; K49-E58 HydrophobicContact CB-CB 4.4Å; K49-E58 PolarHBondContact N-O 3.24Å; K49-E58 IonicContact NZ-OE1 3.51Å; K49-E58 PolarHBondContact NZ-OE1 2.93Å; K49-E58 PolarHBondContact O-N 3.48Å; K49-E60 IonicContact NZ-OE2 3.36Å; K49-E60 PolarHBondContact NZ-OE2 2.95Å; K49-W206 HydrophobicContact CB-CD2 4.24Å; K49-W206 HydrophobicContact CB-CE3 3.65Å; K49-W206 HydrophobicContact CB-CZ3 4.15Å; K49-W206 WeakPolarHBondContact O-CZ3 3.49Å; K49-I207 CarbonylContact C-O 3.58Å; K49-I207 VanDerWaalsContact CA-O 3.3Å; K49-I207 WeakPolarHBondContact CA-O 3.39Å
50I94.6Very high90.9Very high22 Ų2251.7 Ų51.711%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-127.8145.5-179.6-162.5169.2000112.4R56 L57 I207 L209I50-R56 CarbonylContact C-O 3.56Å; I50-R56 VanDerWaalsContact CA-O 3.32Å; I50-R56 WeakPolarHBondContact CA-O 3.4Å; I50-L57 HydrophobicContact CB-CD1 4.08Å; I50-L57 HydrophobicContact CD1-CD1 4.45Å; I50-L57 HydrophobicContact CG1-CD1 4.32Å; I50-I207 HydrophobicContact CG2-CB 4.03Å; I50-I207 PolarHBondContact N-O 3.48Å; I50-I207 PolarHBondContact O-N 3.01Å; I50-L209 HydrophobicContact CB-CD1 4Å; I50-L209 HydrophobicContact CG2-CD1 3.78Å; I50-L209 HydrophobicContact CG2-CD2 4.09Å; I50-L209 HydrophobicContact CG2-CG 4Å
51K93.3Very high91.1Very high15 Ų1550.3 Ų50.37%0.06526%0.258CS..EExtended strand (participates in β ladder)trans-110.199.5161.3-61.7-160.6-177.8-155.50108K53 Q54 Q55 R56 Q201 E204 W206K51-K53 PolarHBondContact O-N 2.96Å; K51-Q54 HydrophobicContact CB-CB 4.15Å; K51-Q54 PolarHBondContact O-N 3.21Å; K51-Q55 WeakPolarHBondContact O-CA 3.48Å; K51-Q55 PolarHBondContact O-N 2.91Å; K51-R56 HydrophobicContact CB-CB 4.31Å; K51-R56 PolarHBondContact N-O 3.33Å; K51-R56 PolarHBondContact O-N 3.13Å; K51-R56 VanDerWaalsContact O-N 3.12Å; K51-Q201 PolarHBondContact NZ-O 3.08Å; K51-E204 HydrophobicContact CB-CG 4.22Å; K51-E204 HydrophobicContact CD-CB 4.23Å; K51-E204 HydrophobicContact CD-CG 4.37Å; K51-E204 WeakPolarHBondContact CD-O 3.45Å; K51-E204 WeakPolarHBondContact CE-O 3.37Å; K51-E204 PolarHBondContact NZ-O 2.83Å; K51-W206 HydrophobicContact CD-CD2 4.4Å; K51-W206 VanDerWaalsContact CE-CE2 3.46Å; K51-W206 HydrophobicContact CG-CD2 3.88Å; K51-W206 HydrophobicContact CG-CE3 3.61Å; K51-W206 HydrophobicContact CG-CH2 4.41Å; K51-W206 HydrophobicContact CG-CZ3 3.9Å
52P87.8Confident91.4Very high54 Ų5448.6 Ų48.635%0.35125%0.253SS..THydrogen-bonded Turntrans-67.2-34.1-166.725.5-35.2000114.1Q55 E204 I207P52-Q55 PolarHBondContact O-N 3.25Å; P52-E204 VanDerWaalsContact CD-OE1 3.24Å; P52-E204 WeakPolarHBondContact CD-OE1 3.39Å; P52-I207 HydrophobicContact CG-CD1 3.85Å
53K86.9Confident91.7Very high191 Ų19144.6 Ų44.683%0.8323%0.231SC*.THydrogen-bonded Turntrans-75.4-32.6-179-56.5174.7-178175.40111.9K51 E204K51-K53 PolarHBondContact O-N 2.96Å; K53-E204 VanDerWaalsContact CB-OE1 3.3Å; K53-E204 WeakPolarHBondContact CB-OE1 3.38Å; K53-E204 WeakPolarHBondContact CG-OE1 3.37Å; K53-E204 PolarHBondContact N-OE1 2.92Å
54Q84.8Confident91.8Very high48 Ų4847.4 Ų47.422%0.22425%0.245CC..THydrogen-bonded Turntrans-82.8-10.6170.9-78.716770.700114.2K51 R56 Q201 E204K51-Q54 HydrophobicContact CB-CB 4.15Å; K51-Q54 PolarHBondContact O-N 3.21Å; Q54-R56 HydrophobicContact CB-CB 4.29Å; Q54-R56 PolarHBondContact O-N 2.91Å; Q54-Q201 HydrophobicContact CG-CG 4.47Å; Q54-Q201 PolarHBondContact NE2-O 3.5Å; Q54-Q201 VanDerWaalsContact OE1-CG 3.27Å; Q54-Q201 PolarHBondContact OE1-O 3.06Å; Q54-E204 WeakPolarHBondContact CG-OE2 3.18Å; Q54-E204 PolarHBondContact N-OE2 3.21Å; Q54-E204 VanDerWaalsContact NE2-CB 3.34Å; Q54-E204 PolarHBondContact NE2-OE2 2.56Å
55Q89.3Confident91.7Very high30 Ų3045 Ų4514%0.1423%0.226CC..THydrogen-bonded Turntrans50.434.4-168.8-54.5-169.1-20.700113.6Y27 K51 P52 T131 L134Y27-Q55 HydrophobicContact CE1-CB 4.15Å; Y27-Q55 HydrophobicContact CE1-CG 4.01Å; K51-Q55 WeakPolarHBondContact O-CA 3.48Å; K51-Q55 PolarHBondContact O-N 2.91Å; P52-Q55 PolarHBondContact O-N 3.25Å; Q55-T131 PolarHBondContact NE2-O 3.13Å; Q55-L134 HydrophobicContact CB-CD2 4.09Å; Q55-L134 WeakPolarHBondContact O-CD1 3.24Å; Q55-L134 WeakPolarHBondContact O-CD2 3.48Å
56R91.2Very high91.5Very high94 Ų9450.5 Ų50.536%0.35525%0.254SS..EExtended strand (participates in β ladder)trans-94.8123.9179.3-168.9176.5180170.1-0.8110.4I50 K51 Q54 S104 S105 W206I50-R56 CarbonylContact C-O 3.56Å; I50-R56 VanDerWaalsContact CA-O 3.32Å; I50-R56 WeakPolarHBondContact CA-O 3.4Å; K51-R56 HydrophobicContact CB-CB 4.31Å; K51-R56 PolarHBondContact N-O 3.33Å; K51-R56 PolarHBondContact O-N 3.13Å; K51-R56 VanDerWaalsContact O-N 3.12Å; Q54-R56 HydrophobicContact CB-CB 4.29Å; Q54-R56 PolarHBondContact O-N 2.91Å; R56-S104 PolarHBondContact NE-OG 3.23Å; R56-S104 PolarHBondContact NH2-OG 3.23Å; R56-S104 VanDerWaalsContact NH2-OG 3.12Å; R56-S105 WeakPolarHBondContact CA-OG 3.3Å; R56-W206 HydrophobicContact CG-CH2 4.07Å
57L94.4Very high91.5Very high13 Ų1347.2 Ų47.27%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-113.8139.2177.4-175.773.6000109.2L29 K49 I50 L59 S105 L134 M136 L209L29-L57 HydrophobicContact CD1-CD2 3.71Å; L29-L57 HydrophobicContact CD2-CD2 3.73Å; L29-L57 HydrophobicContact CG-CD2 4.4Å; K49-L57 CarbonylContact O-C 3.51Å; K49-L57 WeakPolarHBondContact O-CA 3.5Å; I50-L57 HydrophobicContact CB-CD1 4.08Å; I50-L57 HydrophobicContact CD1-CD1 4.45Å; I50-L57 HydrophobicContact CG1-CD1 4.32Å; L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 4.27Å; L57-L59 HydrophobicContact CD2-CD2 4.13Å; L57-L59 HydrophobicContact CD2-CG 4.11Å; L57-L59 HydrophobicContact CG-CD2 4.16Å; L57-L59 HydrophobicContact CG-CG 4.24Å; L57-S105 PolarHBondContact N-OG 3.05Å; L57-S105 WeakPolarHBondContact O-CB 3.5Å; L57-S105 PolarHBondContact O-N 3.41Å; L57-L134 HydrophobicContact CB-CD1 4.17Å; L57-M136 HydrophobicContact CB-SD 4.46Å; L57-M136 HydrophobicContact CD2-CE 4.21Å; L57-M136 HydrophobicContact CD2-SD 4.04Å; L57-M136 HydrophobicContact CG-CE 4.4Å; L57-L209 HydrophobicContact CD1-CD1 4.34Å
58E95.3Very high91.5Very high38 Ų3852.4 Ų52.418%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-123.7130.9170.3-174.9-175.7106.100108.3A48 K49 T102 F103 W206A48-E58 WeakPolarHBondContact CA-O 3.32Å; K49-E58 HydrophobicContact CB-CB 4.4Å; K49-E58 PolarHBondContact N-O 3.24Å; K49-E58 IonicContact NZ-OE1 3.51Å; K49-E58 PolarHBondContact NZ-OE1 2.93Å; K49-E58 PolarHBondContact O-N 3.48Å; E58-T102 HydrophobicContact CG-CG2 3.67Å; E58-F103 WeakPolarHBondContact CA-O 3.41Å; E58-W206 HydrophobicContact CB-CH2 3.81Å; E58-W206 HydrophobicContact CB-CZ3 3.99Å
59L94.9Very high91.4Very high7 Ų759.3 Ų59.34%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-123.2134.6176.9-61-179.9000109.7A48 L57 M61 T102 F103 M136A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; L57-L59 HydrophobicContact CD1-CD2 4.3Å; L57-L59 HydrophobicContact CD2-CD1 4.27Å; L57-L59 HydrophobicContact CD2-CD2 4.13Å; L57-L59 HydrophobicContact CD2-CG 4.11Å; L57-L59 HydrophobicContact CG-CD2 4.16Å; L57-L59 HydrophobicContact CG-CG 4.24Å; L59-M61 HydrophobicContact CD1-CE 4.4Å; L59-T102 CarbonylContact O-C 3.48Å; L59-T102 WeakPolarHBondContact O-CA 3.31Å; L59-F103 PolarHBondContact N-O 3.19Å; L59-F103 PolarHBondContact O-N 2.75Å; L59-M136 HydrophobicContact CB-CE 4.45Å; L59-M136 HydrophobicContact CD1-CE 4.02Å; L59-M136 HydrophobicContact CG-CE 3.96Å
60E94.2Very high91.3Very high25 Ų2559.5 Ų59.512%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-107.6118.9170.2-66.7179.4104.100109L46 S47 K49 K100 T102L46-E60 HydrophobicContact CB-CB 4.28Å; L46-E60 PolarHBondContact N-O 2.93Å; S47-E60 PolarHBondContact N-O 3.21Å; S47-E60 PolarHBondContact O-N 3.08Å; S47-E60 PolarHBondContact OG-OE2 3.39Å; K49-E60 IonicContact NZ-OE2 3.36Å; K49-E60 PolarHBondContact NZ-OE2 2.95Å; E60-K100 WeakPolarHBondContact OE1-CD 3.15Å; E60-K100 VanDerWaalsContact OE1-CE 3.22Å; E60-K100 WeakPolarHBondContact OE1-CE 3.37Å; E60-K100 IonicContact OE1-NZ 2.77Å; E60-K100 PolarHBondContact OE1-NZ 3.37Å; E60-T102 HydrophobicContact CG-CG2 4.27Å
61M93.4Very high91.3Very high4 Ų462.6 Ų62.62%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-109.3140.7178.6-65.5174.7179.700110.2Y31 Y40 V43 L59 K100 Q101 F103Y31-M61 HydrophobicContact CE1-CE 4.13Å; Y40-M61 HydrophobicContact CD1-CE 3.87Å; Y40-M61 HydrophobicContact CD1-SD 3.48Å; Y40-M61 WeakPolarHBondContact CD1-SD 3.37Å; Y40-M61 HydrophobicContact CD2-CE 4.32Å; Y40-M61 HydrophobicContact CE1-CE 4.23Å; Y40-M61 HydrophobicContact CE1-SD 3.63Å; Y40-M61 HydrophobicContact CG-CE 3.92Å; Y40-M61 HydrophobicContact CG-SD 4.16Å; V43-M61 HydrophobicContact CG1-CB 4.01Å; V43-M61 HydrophobicContact CG1-CG 4.45Å; L59-M61 HydrophobicContact CD1-CE 4.4Å; M61-K100 CarbonylContact O-C 3.54Å; M61-K100 WeakPolarHBondContact O-CA 3.16Å; M61-K100 WeakPolarHBondContact O-CB 3.26Å; M61-Q101 PolarHBondContact N-O 3.25Å; M61-Q101 PolarHBondContact O-N 3.24Å; M61-F103 HydrophobicContact CE-CD2 4.31Å; M61-F103 HydrophobicContact CE-CE2 4.38Å; M61-F103 HydrophobicContact CG-CD2 4.4Å; M61-F103 HydrophobicContact CG-CE2 4.39Å; M61-F103 HydrophobicContact SD-CD2 3.83Å; M61-F103 HydrophobicContact SD-CE2 3.49Å; M61-F103 WeakPolarHBondContact SD-CE2 3.33Å; M61-F103 HydrophobicContact SD-CZ 4.18Å
62A92.8Very high91.2Very high32 Ų3267.1 Ų67.126%0.26435%0.348SS..EExtended strand (participates in β ladder)trans-74.1144.6176.800000112.3S44 L46S44-A62 PolarHBondContact O-N 2.94Å; L46-A62 HydrophobicContact CD1-CB 4.03Å; L46-A62 HydrophobicContact CD2-CB 4.1Å; L46-A62 HydrophobicContact CG-CB 4.01Å
63I90.9Very high91.4Very high50 Ų5068.7 Ų68.726%0.25636%0.36SS..  trans-104.6132.2171.9-59173.2000108.6T65 Y70 M98 D99 Q101I63-T65 PolarHBondContact O-N 3.42Å; I63-Y70 HydrophobicContact CG2-CD2 3.78Å; I63-Y70 HydrophobicContact CG2-CE2 3.93Å; I63-M98 HydrophobicContact CD1-CE 4.45Å; I63-M98 HydrophobicContact CD1-CG 4.18Å; I63-D99 PolarHBondContact N-O 3.47Å; I63-Q101 HydrophobicContact CD1-CB 4.14Å; I63-Q101 HydrophobicContact CG1-CB 4.29Å
64N89.2Confident91.6Very high106 Ų10665.8 Ų65.857%0.56735%0.348SS*.  trans-77.493.1175.2-176.4-6.4000111.1M66 S67N64-M66 PolarHBondContact O-N 2.91Å; N64-M66 WeakPolarHBondContact OD1-CA 3.32Å; N64-M66 WeakPolarHBondContact OD1-CB 3.48Å; N64-M66 PolarHBondContact OD1-N 2.78Å; N64-S67 VanDerWaalsContact O-CB 3.25Å; N64-S67 WeakPolarHBondContact O-CB 3.2Å; N64-S67 PolarHBondContact O-N 3.13Å; N64-S67 VanDerWaalsContact O-N 3.13Å; N64-S67 PolarHBondContact OD1-N 3.34Å
65T88.3Confident92Very high27 Ų2763.7 Ų63.717%0.16634%0.339CS..THydrogen-bonded Turntrans-73.4-3.817964.50000114.5I63 Y70 R72 M97I63-T65 PolarHBondContact O-N 3.42Å; T65-Y70 HydrophobicContact CG2-CD1 4.21Å; T65-Y70 HydrophobicContact CG2-CD2 4.5Å; T65-Y70 HydrophobicContact CG2-CE1 3.72Å; T65-Y70 HydrophobicContact CG2-CE2 4.05Å; T65-R72 PolarHBondContact O-NE 3.06Å; T65-M97 VanDerWaalsContact CB-SD 3.54Å; T65-M97 HydrophobicContact CG2-CG 4.16Å; T65-M97 HydrophobicContact CG2-SD 3.73Å
66M88.3Confident92.1Very high142 Ų14266.2 Ų66.270%0.735%0.351SS*.THydrogen-bonded Turntrans-93.4-8.5170.7-57.5-65.2-70.800112.7N64 R72N64-M66 PolarHBondContact O-N 2.91Å; N64-M66 WeakPolarHBondContact OD1-CA 3.32Å; N64-M66 WeakPolarHBondContact OD1-CB 3.48Å; N64-M66 PolarHBondContact OD1-N 2.78Å; M66-R72 PolarHBondContact SD-NH2 2.93Å
67S90.1Very high92Very high29 Ų2967.2 Ų67.220%0.20336%0.359CS..SBendtrans-68.9141.8177.71770000112N64 N69 Y70N64-S67 VanDerWaalsContact O-CB 3.25Å; N64-S67 WeakPolarHBondContact O-CB 3.2Å; N64-S67 PolarHBondContact O-N 3.13Å; N64-S67 VanDerWaalsContact O-N 3.13Å; N64-S67 PolarHBondContact OD1-N 3.34Å; S67-N69 PolarHBondContact O-N 3.09Å; S67-N69 VanDerWaalsContact O-N 3.1Å; S67-N69 PolarHBondContact OG-N 3.33Å; S67-N69 PolarHBondContact OG-OD1 3.37Å; S67-Y70 PolarHBondContact O-N 2.91Å
68P92.6Very high91.8Very high134 Ų13468.3 Ų68.387%0.8737%0.365SS*.THydrogen-bonded Turntrans-61.6-15.1171.328-36.6000113.4Y70P68-Y70 VanDerWaalsContact C-N 3.28Å; P68-Y70 PolarHBondContact O-N 3.15Å
69N93Very high91.6Very high152 Ų15266.7 Ų66.781%0.81336%0.358SS*.THydrogen-bonded Turntrans-79.4-5.6174.2-55.6104.5000113.6S67S67-N69 PolarHBondContact O-N 3.09Å; S67-N69 VanDerWaalsContact O-N 3.1Å; S67-N69 PolarHBondContact OG-N 3.33Å; S67-N69 PolarHBondContact OG-OD1 3.37Å
70Y93.4Very high91.3Very high37 Ų3770.4 Ų70.415%0.14538%0.378CS..  trans-106.5111.9-175.9-175.2-93.9000112.1I63 T65 S67 P68 R72 G75 M97 M98I63-Y70 HydrophobicContact CG2-CD2 3.78Å; I63-Y70 HydrophobicContact CG2-CE2 3.93Å; T65-Y70 HydrophobicContact CG2-CD1 4.21Å; T65-Y70 HydrophobicContact CG2-CD2 4.5Å; T65-Y70 HydrophobicContact CG2-CE1 3.72Å; T65-Y70 HydrophobicContact CG2-CE2 4.05Å; S67-Y70 PolarHBondContact O-N 2.91Å; P68-Y70 VanDerWaalsContact C-N 3.28Å; P68-Y70 PolarHBondContact O-N 3.15Å; Y70-R72 HydrophobicContact CD1-CG 3.92Å; Y70-R72 HydrophobicContact CE1-CG 4.13Å; Y70-R72 PolarHBondContact O-N 3.41Å; Y70-R72 VanDerWaalsContact O-N 3.13Å; Y70-G75 WeakPolarHBondContact OH-CA 3.46Å; Y70-M97 HydrophobicContact CE1-SD 4.45Å; Y70-M98 WeakPolarHBondContact OH-CA 3.46Å; Y70-M98 PolarHBondContact OH-N 2.97Å; Y70-M98 VanDerWaalsContact OH-N 3.08Å; Y70-M98 PolarHBondContact OH-O 2.84Å
71C93.5Very high91.1Very high87 Ų8772.6 Ų72.659%0.58839%0.39SS*.  trans-78.196.7176-177.60000110.9S73 K74 G75C71-S73 PolarHBondContact O-N 2.77Å; C71-K74 HydrophobicContact CB-CB 4.33Å; C71-K74 PolarHBondContact O-N 2.93Å; C71-K74 VanDerWaalsContact O-N 3.16Å; C71-G75 PolarHBondContact O-N 2.77Å
72R91.1Very high90.8Very high109 Ų10972.7 Ų72.741%0.41139%0.391SS..Hα-helixtrans-54.1-50-175-69.5-173.5-178.3165.23.7113.9T65 M66 Y70 K74 G75 E76T65-R72 PolarHBondContact O-NE 3.06Å; M66-R72 PolarHBondContact SD-NH2 2.93Å; Y70-R72 HydrophobicContact CD1-CG 3.92Å; Y70-R72 HydrophobicContact CE1-CG 4.13Å; Y70-R72 PolarHBondContact O-N 3.41Å; Y70-R72 VanDerWaalsContact O-N 3.13Å; R72-K74 PolarHBondContact O-N 2.67Å; R72-K74 VanDerWaalsContact O-N 3.16Å; R72-G75 CarbonylContact O-C 3.41Å; R72-G75 WeakPolarHBondContact O-CA 3.44Å; R72-G75 PolarHBondContact O-N 2.84Å; R72-E76 WeakPolarHBondContact O-CG 3.43Å; R72-E76 PolarHBondContact O-N 2.8Å
73S92.2Very high90.5Very high88 Ų8872.1 Ų72.162%0.61538%0.383SS*.Hα-helixtrans-58.2-33.5-179.1-46.80000113.1C71 Q77C71-S73 PolarHBondContact O-N 2.77Å; S73-Q77 WeakPolarHBondContact O-CB 3.48Å; S73-Q77 PolarHBondContact O-N 2.93Å; S73-Q77 VanDerWaalsContact O-N 3.1Å
74K92Very high90Very high130 Ų13070 Ų7057%0.56537%0.374SS*.Hα-helixtrans-77.2-36.6173.7-170.3171.7-176174.60112.1C71 R72 Q77 I78C71-K74 HydrophobicContact CB-CB 4.33Å; C71-K74 PolarHBondContact O-N 2.93Å; C71-K74 VanDerWaalsContact O-N 3.16Å; R72-K74 PolarHBondContact O-N 2.67Å; R72-K74 VanDerWaalsContact O-N 3.16Å; K74-Q77 PolarHBondContact O-N 3.14Å; K74-I78 HydrophobicContact CG-CD1 4.16Å; K74-I78 VanDerWaalsContact O-CG1 3.27Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3.06Å
75G91.3Very high89.4Confident4 Ų470.2 Ų70.24%0.04138%0.379CS..Hα-helixtrans-64.1-37.817400000113.5Y70 C71 R72 A79 M97 M98Y70-G75 WeakPolarHBondContact OH-CA 3.46Å; C71-G75 PolarHBondContact O-N 2.77Å; R72-G75 CarbonylContact O-C 3.41Å; R72-G75 WeakPolarHBondContact O-CA 3.44Å; R72-G75 PolarHBondContact O-N 2.84Å; G75-A79 PolarHBondContact O-N 3.29Å; G75-A79 VanDerWaalsContact O-N 3.13Å; G75-M97 WeakPolarHBondContact O-CA 3.47Å; G75-M98 PolarHBondContact O-N 3.06Å; G75-M98 VanDerWaalsContact O-N 3.11Å
76E91.3Very high88.5Confident83 Ų8371.4 Ų71.439%0.38839%0.389SS..Hα-helixtrans-66.7-47.2172.3-71.5156.1-160.700110.9R72 I78 A79 L80 M97R72-E76 WeakPolarHBondContact O-CG 3.43Å; R72-E76 PolarHBondContact O-N 2.8Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 2.59Å; E76-A79 PolarHBondContact O-N 3.03Å; E76-L80 WeakPolarHBondContact O-CB 3.47Å; E76-L80 PolarHBondContact O-N 3.31Å; E76-M97 HydrophobicContact CG-CB 4.18Å
77Q90.3Very high87.3Confident114 Ų11473 Ų7353%0.53339%0.388SS..Hα-helixtrans-58.8-42.4175.2-171.6-176.42200112.3S73 K74 L80 N81S73-Q77 WeakPolarHBondContact O-CB 3.48Å; S73-Q77 PolarHBondContact O-N 2.93Å; S73-Q77 VanDerWaalsContact O-N 3.1Å; K74-Q77 PolarHBondContact O-N 3.14Å; Q77-L80 PolarHBondContact O-N 2.88Å; Q77-N81 WeakPolarHBondContact O-CB 3.43Å; Q77-N81 VanDerWaalsContact O-CG 3.27Å; Q77-N81 PolarHBondContact O-N 3.04Å; Q77-N81 PolarHBondContact O-OD1 2.98Å
78I90.5Very high86.4Confident37 Ų3775.5 Ų75.519%0.1940%0.399CS..Hα-helixtrans-62.9-47.5176.6-70.8165.1000110.5K74 E76 L80 N81 V82 M98 Y142K74-I78 HydrophobicContact CG-CD1 4.16Å; K74-I78 VanDerWaalsContact O-CG1 3.27Å; K74-I78 WeakPolarHBondContact O-CG1 3.29Å; K74-I78 PolarHBondContact O-N 3.06Å; E76-I78 VanDerWaalsContact C-N 3.34Å; E76-I78 PolarHBondContact O-N 2.59Å; I78-L80 PolarHBondContact O-N 3.5Å; I78-N81 PolarHBondContact O-N 2.8Å; I78-V82 HydrophobicContact CG2-CG2 4.34Å; I78-V82 WeakPolarHBondContact O-CG2 3.47Å; I78-V82 PolarHBondContact O-N 2.72Å; I78-M98 HydrophobicContact CD1-SD 4.29Å; I78-M98 HydrophobicContact CG2-CB 4.45Å; I78-M98 HydrophobicContact CG2-SD 4.18Å; I78-Y142 HydrophobicContact CG2-CD2 3.99Å; I78-Y142 HydrophobicContact CG2-CE2 3.97Å
79A90.3Very high84.9Confident4 Ų478.9 Ų78.93%0.03340%0.403CS..Hα-helixtrans-62.8-40.4177.900000112.5G75 E76 N81 V82 D83 Y93 K96G75-A79 PolarHBondContact O-N 3.29Å; G75-A79 VanDerWaalsContact O-N 3.13Å; E76-A79 PolarHBondContact O-N 3.03Å; A79-N81 VanDerWaalsContact C-N 3.32Å; A79-N81 PolarHBondContact O-N 3.08Å; A79-V82 PolarHBondContact O-N 3.25Å; A79-D83 PolarHBondContact O-N 2.71Å; A79-Y93 HydrophobicContact CB-CD2 4.06Å; A79-Y93 HydrophobicContact CB-CG 4.41Å; A79-K96 VanDerWaalsContact CB-C 3.48Å
80L88.9Confident84Confident85 Ų8577.3 Ų77.345%0.44540%0.4SS..Hα-helixtrans-63.6-34.3176.5-177.363.9000112.9E76 Q77 I78 G84 T85E76-L80 WeakPolarHBondContact O-CB 3.47Å; E76-L80 PolarHBondContact O-N 3.31Å; Q77-L80 PolarHBondContact O-N 2.88Å; I78-L80 PolarHBondContact O-N 3.5Å; L80-G84 WeakPolarHBondContact O-CA 3.24Å; L80-G84 PolarHBondContact O-N 2.89Å; L80-G84 VanDerWaalsContact O-N 3.16Å; L80-T85 HydrophobicContact CD1-CG2 3.84Å
81N89.2Confident83.4Confident71 Ų7176.9 Ų76.938%0.3840%0.4SS..Hα-helixtrans-74.1-37.6175.5-71.99000112.2Q77 I78 A79 A146Q77-N81 WeakPolarHBondContact O-CB 3.43Å; Q77-N81 VanDerWaalsContact O-CG 3.27Å; Q77-N81 PolarHBondContact O-N 3.04Å; Q77-N81 PolarHBondContact O-OD1 2.98Å; I78-N81 PolarHBondContact O-N 2.8Å; A79-N81 VanDerWaalsContact C-N 3.32Å; A79-N81 PolarHBondContact O-N 3.08Å; N81-A146 HydrophobicContact CB-CB 4.07Å; N81-A146 WeakPolarHBondContact O-CA 3.37Å
82V88Confident82.9Confident5 Ų573.7 Ų73.73%0.0338%0.378CS..Hα-helixtrans-80.6-47.8-175177.80000112.7I78 A79 Y93 Y142 K145 A146I78-V82 HydrophobicContact CG2-CG2 4.34Å; I78-V82 WeakPolarHBondContact O-CG2 3.47Å; I78-V82 PolarHBondContact O-N 2.72Å; A79-V82 PolarHBondContact O-N 3.25Å; V82-Y93 HydrophobicContact CB-CD2 4.47Å; V82-Y93 HydrophobicContact CB-CE2 4.1Å; V82-Y93 HydrophobicContact CG1-CD2 4.47Å; V82-Y93 HydrophobicContact CG1-CE2 4.02Å; V82-Y93 HydrophobicContact CG2-CE2 4.16Å; V82-Y142 HydrophobicContact CG2-CD2 4.17Å; V82-Y142 WeakPolarHBondContact CG2-O 3.3Å; V82-K145 HydrophobicContact CG1-CB 4.16Å; V82-K145 HydrophobicContact CG1-CD 4.12Å; V82-A146 HydrophobicContact CG2-CB 3.98Å
83D85.6Confident82.6Confident20 Ų2069 Ų6911%0.10736%0.36CS..THydrogen-bonded Turntrans-106.6-27.7-172.9-63.4-37.1000112.4A79 N91 T92 Y93A79-D83 PolarHBondContact O-N 2.71Å; D83-N91 HydrophobicContact CB-CB 4.08Å; D83-T92 WeakPolarHBondContact OD1-CA 3.25Å; D83-T92 WeakPolarHBondContact OD1-CB 3.46Å; D83-T92 PolarHBondContact OD1-N 3.34Å; D83-T92 PolarHBondContact OD1-OG1 3.39Å; D83-T92 WeakPolarHBondContact OD2-CA 3.43Å; D83-T92 WeakPolarHBondContact OD2-CB 3.29Å; D83-T92 PolarHBondContact OD2-N 3.46Å; D83-Y93 WeakPolarHBondContact OD2-CD2 3.43Å; D83-Y93 PolarHBondContact OD2-N 3.47Å
84G81.3Confident82Confident6 Ų675.1 Ų75.16%0.06237%0.37CS..  trans93.3-164175.200000116.1L80L80-G84 WeakPolarHBondContact O-CA 3.24Å; L80-G84 PolarHBondContact O-N 2.89Å; L80-G84 VanDerWaalsContact O-N 3.16Å
85T75.5Confident81.5Confident111 Ų11171.4 Ų71.468%0.68136%0.363SS*.SBendtrans-84.1-26.5-17943.80000112.9L80 K96L80-T85 HydrophobicContact CD1-CG2 3.84Å; T85-K96 PolarHBondContact O-NZ 2.83Å
86S69.5Low81.1Confident52 Ų5274.8 Ų74.836%0.36438%0.377SS..SBendtrans-66.8162.4179.154.30000112.7D88 N91S86-D88 WeakPolarHBondContact CB-OD2 3.48Å; S86-D88 PolarHBondContact OG-OD2 3.4Å; S86-N91 PolarHBondContact O-ND2 2.94Å
87Y63.9Low81Confident175 Ų17572.4 Ų72.469%0.68637%0.366SS*.  trans-11773.6177.4-116.6-54.3000108.4K96Y87-K96 HydrophobicContact CE2-CD 4.15Å; Y87-K96 VanDerWaalsContact CE2-CE 3.47Å
88D70.2Confident81Confident82 Ų8268.1 Ų68.144%0.43935%0.346SS..  trans-95.2143.4178.4-58.8-66.6000110.4S86 T90 N91S86-D88 WeakPolarHBondContact CB-OD2 3.48Å; S86-D88 PolarHBondContact OG-OD2 3.4Å; D88-T90 PolarHBondContact O-N 3.23Å; D88-T90 VanDerWaalsContact O-N 3.1Å; D88-N91 WeakPolarHBondContact O-CB 3.28Å; D88-N91 PolarHBondContact O-N 2.94Å; D88-N91 VanDerWaalsContact O-N 3.11Å; D88-N91 PolarHBondContact O-OD1 3.4Å
89E62.7Low81Confident204 Ų20467.8 Ų67.895%0.95335%0.345SS*.THydrogen-bonded Turntrans-64.8-14.2177.6-62.5-165.8138.500113.2
90T74Confident81.1Confident120 Ų12069.3 Ų69.374%0.73635%0.351SS*.THydrogen-bonded Turntrans-84.2-4.7177.253.70000113.9D88 T92D88-T90 PolarHBondContact O-N 3.23Å; D88-T90 VanDerWaalsContact O-N 3.1Å; T90-T92 PolarHBondContact O-N 2.95Å
91N80.9Confident81.2Confident27 Ų2768.6 Ų68.614%0.14435%0.345CS..  trans-56.5135.8-179.5-75.62.6000112D83 S86 D88D83-N91 HydrophobicContact CB-CB 4.08Å; S86-N91 PolarHBondContact O-ND2 2.94Å; D88-N91 WeakPolarHBondContact O-CB 3.28Å; D88-N91 PolarHBondContact O-N 2.94Å; D88-N91 VanDerWaalsContact O-N 3.11Å; D88-N91 PolarHBondContact O-OD1 3.4Å
92T81.3Confident81.5Confident21 Ų2166.6 Ų66.613%0.12934%0.336CS..SBendtrans-65-43-178.5-46.70000111.4D83 T90 K100 K145D83-T92 WeakPolarHBondContact OD1-CA 3.25Å; D83-T92 WeakPolarHBondContact OD1-CB 3.46Å; D83-T92 PolarHBondContact OD1-N 3.34Å; D83-T92 PolarHBondContact OD1-OG1 3.39Å; D83-T92 WeakPolarHBondContact OD2-CA 3.43Å; D83-T92 WeakPolarHBondContact OD2-CB 3.29Å; D83-T92 PolarHBondContact OD2-N 3.46Å; T90-T92 PolarHBondContact O-N 2.95Å; T92-K100 WeakPolarHBondContact O-CE 3.34Å; T92-K100 PolarHBondContact O-NZ 2.84Å; T92-K145 PolarHBondContact OG1-NZ 2.83Å
93Y86.7Confident81.8Confident9 Ų966.4 Ų66.44%0.03534%0.335CS..  trans-117.4113.1-175.1-56.8-68.6000110.7A79 V82 D83 M97 M98 D99 K100 Y142A79-Y93 HydrophobicContact CB-CD2 4.06Å; A79-Y93 HydrophobicContact CB-CG 4.41Å; V82-Y93 HydrophobicContact CB-CD2 4.47Å; V82-Y93 HydrophobicContact CB-CE2 4.1Å; V82-Y93 HydrophobicContact CG1-CD2 4.47Å; V82-Y93 HydrophobicContact CG1-CE2 4.02Å; V82-Y93 HydrophobicContact CG2-CE2 4.16Å; D83-Y93 WeakPolarHBondContact OD2-CD2 3.43Å; D83-Y93 PolarHBondContact OD2-N 3.47Å; Y93-M97 WeakPolarHBondContact CB-O 3.29Å; Y93-M98 HydrophobicContact CD1-CG 4.44Å; Y93-M98 HydrophobicContact CE1-CB 4.33Å; Y93-M98 HydrophobicContact CE1-CG 3.73Å; Y93-D99 WeakPolarHBondContact CD1-OD1 3.4Å; Y93-K100 HydrophobicContact CD1-CG 4.09Å; Y93-K100 HydrophobicContact CE1-CG 3.96Å; Y93-Y142 WeakPolarHBondContact OH-CB 3.2Å
94R79.6Confident82.2Confident217 Ų21766.4 Ų66.482%0.81934%0.336SS*.THydrogen-bonded Turntrans-75.3-31-172.3-71.4-178.9173.4175.5-3.7112.5K96 D99R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 3Å; R94-D99 PolarHBondContact N-OD2 3.15Å
95A79.9Confident82.9Confident52 Ų5266.4 Ų66.443%0.4334%0.335SS..THydrogen-bonded Turntrans-81.67.8-178.200000114.7M97 D99A95-M97 HydrophobicContact CB-CG 3.75Å; A95-M97 PolarHBondContact O-N 3.26Å; A95-M97 VanDerWaalsContact O-N 3.12Å; A95-D99 HydrophobicContact CB-CB 4.16Å; A95-D99 WeakPolarHBondContact CB-OD2 3.44Å; A95-D99 PolarHBondContact N-OD2 3.18Å
96K84.1Confident83.5Confident75 Ų7566.2 Ų66.233%0.32633%0.327SS..SBendtrans51.926.3-168.2-69.6-163.8164.4-167.90114.1A79 T85 Y87 R94A79-K96 VanDerWaalsContact CB-C 3.48Å; T85-K96 PolarHBondContact O-NZ 2.83Å; Y87-K96 HydrophobicContact CE2-CD 4.15Å; Y87-K96 VanDerWaalsContact CE2-CE 3.47Å; R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 3Å
97M88Confident84.5Confident34 Ų3467.7 Ų67.717%0.16733%0.329CS..SBendtrans-147.7154.9172.461.6179.865.300108.1T65 Y70 G75 E76 Y93 A95 D99T65-M97 VanDerWaalsContact CB-SD 3.54Å; T65-M97 HydrophobicContact CG2-CG 4.16Å; T65-M97 HydrophobicContact CG2-SD 3.73Å; Y70-M97 HydrophobicContact CE1-SD 4.45Å; G75-M97 WeakPolarHBondContact O-CA 3.47Å; E76-M97 HydrophobicContact CG-CB 4.18Å; Y93-M97 WeakPolarHBondContact CB-O 3.29Å; A95-M97 HydrophobicContact CB-CG 3.75Å; A95-M97 PolarHBondContact O-N 3.26Å; A95-M97 VanDerWaalsContact O-N 3.12Å; M97-D99 VanDerWaalsContact C-N 3.27Å; M97-D99 PolarHBondContact O-N 3.45Å
98M90.2Very high85.6Confident23 Ų2361.6 Ų61.611%0.11332%0.315CS..  trans-61.180.6179.6-167.5-177.8-175.900113.2I63 Y70 G75 I78 Y93 Y142I63-M98 HydrophobicContact CD1-CE 4.45Å; I63-M98 HydrophobicContact CD1-CG 4.18Å; Y70-M98 WeakPolarHBondContact OH-CA 3.46Å; Y70-M98 PolarHBondContact OH-N 2.97Å; Y70-M98 VanDerWaalsContact OH-N 3.08Å; Y70-M98 PolarHBondContact OH-O 2.84Å; G75-M98 PolarHBondContact O-N 3.06Å; G75-M98 VanDerWaalsContact O-N 3.11Å; I78-M98 HydrophobicContact CD1-SD 4.29Å; I78-M98 HydrophobicContact CG2-CB 4.45Å; I78-M98 HydrophobicContact CG2-SD 4.18Å; Y93-M98 HydrophobicContact CD1-CG 4.44Å; Y93-M98 HydrophobicContact CE1-CB 4.33Å; Y93-M98 HydrophobicContact CE1-CG 3.73Å; M98-Y142 HydrophobicContact CE-CD1 4.39Å; M98-Y142 HydrophobicContact CE-CE1 3.84Å; M98-Y142 HydrophobicContact CE-CE2 4.23Å
99D90.8Very high86.4Confident31 Ų3159.3 Ų59.317%0.16630%0.304CS..  trans-86.1-9-172.657.720.5000114.3I63 Y93 R94 A95 M97I63-D99 PolarHBondContact N-O 3.47Å; Y93-D99 WeakPolarHBondContact CD1-OD1 3.4Å; R94-D99 PolarHBondContact N-OD2 3.15Å; A95-D99 HydrophobicContact CB-CB 4.16Å; A95-D99 WeakPolarHBondContact CB-OD2 3.44Å; A95-D99 PolarHBondContact N-OD2 3.18Å; M97-D99 VanDerWaalsContact C-N 3.27Å; M97-D99 PolarHBondContact O-N 3.45Å
100K92.1Very high87.3Confident35 Ų3556 Ų5615%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-144.7157.3-179.571.3-175.9-176.3-176.20113.9L46 E60 M61 T92 Y93L46-K100 HydrophobicContact CD1-CB 3.78Å; E60-K100 WeakPolarHBondContact OE1-CD 3.15Å; E60-K100 VanDerWaalsContact OE1-CE 3.22Å; E60-K100 WeakPolarHBondContact OE1-CE 3.37Å; E60-K100 IonicContact OE1-NZ 2.77Å; E60-K100 PolarHBondContact OE1-NZ 3.37Å; M61-K100 CarbonylContact O-C 3.54Å; M61-K100 WeakPolarHBondContact O-CA 3.16Å; M61-K100 WeakPolarHBondContact O-CB 3.26Å; T92-K100 WeakPolarHBondContact O-CE 3.34Å; T92-K100 PolarHBondContact O-NZ 2.84Å; Y93-K100 HydrophobicContact CD1-CG 4.09Å; Y93-K100 HydrophobicContact CE1-CG 3.96Å
101Q92.4Very high87.7Confident70 Ų7053.9 Ų53.933%0.32728%0.282SS..EExtended strand (participates in β ladder)trans-119.7128.3169.4-169.5170.733.300110M61 I63 F103M61-Q101 PolarHBondContact N-O 3.25Å; M61-Q101 PolarHBondContact O-N 3.24Å; I63-Q101 HydrophobicContact CD1-CB 4.14Å; I63-Q101 HydrophobicContact CG1-CB 4.29Å; Q101-F103 HydrophobicContact CB-CE2 4.16Å; Q101-F103 HydrophobicContact CG-CD2 4.29Å; Q101-F103 HydrophobicContact CG-CE2 3.72Å; Q101-F103 HydrophobicContact CG-CZ 4.3Å
102T94Very high88Confident30 Ų3053.5 Ų53.518%0.18428%0.28CS..EExtended strand (participates in β ladder)trans-94.2135174.6-50.50000110.1E58 L59 E60 S139E58-T102 HydrophobicContact CG-CG2 3.67Å; L59-T102 CarbonylContact O-C 3.48Å; L59-T102 WeakPolarHBondContact O-CA 3.31Å; E60-T102 HydrophobicContact CG-CG2 4.27Å; T102-S139 WeakPolarHBondContact O-CB 3.38Å; T102-S139 PolarHBondContact O-N 2.94Å
103F95.1Very high88.3Confident1 Ų157.9 Ų57.90%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-113.7127.8171.3-71.1-106.1000109.4Y31 Y40 E58 L59 M61 Q101 M136 R137 P138Y31-F103 HydrophobicContact CD1-CD1 4.36Å; Y31-F103 HydrophobicContact CD1-CE1 4.36Å; Y31-F103 HydrophobicContact CE1-CD1 4.26Å; Y40-F103 HydrophobicContact CE1-CZ 4.23Å; Y40-F103 WeakPolarHBondContact OH-CZ 3.48Å; E58-F103 WeakPolarHBondContact CA-O 3.41Å; L59-F103 PolarHBondContact N-O 3.19Å; L59-F103 PolarHBondContact O-N 2.75Å; M61-F103 HydrophobicContact CE-CD2 4.31Å; M61-F103 HydrophobicContact CE-CE2 4.38Å; M61-F103 HydrophobicContact CG-CD2 4.4Å; M61-F103 HydrophobicContact CG-CE2 4.39Å; M61-F103 HydrophobicContact SD-CD2 3.83Å; M61-F103 HydrophobicContact SD-CE2 3.49Å; M61-F103 WeakPolarHBondContact SD-CE2 3.33Å; M61-F103 HydrophobicContact SD-CZ 4.18Å; Q101-F103 HydrophobicContact CB-CE2 4.16Å; Q101-F103 HydrophobicContact CG-CD2 4.29Å; Q101-F103 HydrophobicContact CG-CE2 3.72Å; Q101-F103 HydrophobicContact CG-CZ 4.3Å; F103-M136 HydrophobicContact CB-CE 3.95Å; F103-R137 CarbonylContact C-O 3.51Å; F103-R137 VanDerWaalsContact CA-O 3.27Å; F103-R137 WeakPolarHBondContact CA-O 3.35Å; F103-P138 HydrophobicContact CD1-CG 4.23Å; F103-P138 HydrophobicContact CE1-CB 4.4Å; F103-P138 HydrophobicContact CE1-CG 3.7Å; F103-P138 HydrophobicContact CZ-CG 4.23Å
104S94.5Very high88.5Confident20 Ų2065.4 Ų65.414%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-101.9141.3169.9-177.10000109.4R56 R137R56-S104 PolarHBondContact NE-OG 3.23Å; R56-S104 PolarHBondContact NH2-OG 3.23Å; R56-S104 VanDerWaalsContact NH2-OG 3.12Å; S104-R137 PolarHBondContact N-O 2.98Å; S104-R137 PolarHBondContact O-N 3.2Å
105S94.6Very high89.2Confident5 Ų559.4 Ų59.44%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-79.7157.516987.90000112.4R56 L57 Q135 M136R56-S105 WeakPolarHBondContact CA-OG 3.3Å; L57-S105 PolarHBondContact N-OG 3.05Å; L57-S105 WeakPolarHBondContact O-CB 3.5Å; L57-S105 PolarHBondContact O-N 3.41Å; S105-Q135 CarbonylContact C-O 3.54Å; S105-Q135 WeakPolarHBondContact CA-O 3.24Å; S105-M136 WeakPolarHBondContact CB-SD 3.4Å
106M89.6Confident89.9Confident107 Ų10759.2 Ų59.253%0.52732%0.316SS..EExtended strand (participates in β ladder)trans-126.9138.6159.3-64.717464.400108.3A108 L134 Q135M106-A108 PolarHBondContact O-N 2.76Å; M106-L134 WeakPolarHBondContact O-CA 2.99Å; M106-Q135 PolarHBondContact N-O 3.28Å; M106-Q135 PolarHBondContact O-N 3.03Å
107Q90.1Very high90.3Very high84 Ų8457.3 Ų57.339%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-69.2125.4174.2-164.6-171.645.200109.5T109 L134Q107-T109 VanDerWaalsContact CD-O 3.3Å; Q107-T109 WeakPolarHBondContact CG-O 3.21Å; Q107-L134 HydrophobicContact CB-CD2 4.4Å; Q107-L134 HydrophobicContact CG-CD2 4.4Å
108A87.8Confident90.6Very high47 Ų4758.6 Ų58.639%0.38833%0.33SS..SBendtrans-80.5-25.7-176.300000113.3M106 I133 Q135M106-A108 PolarHBondContact O-N 2.76Å; A108-I133 HydrophobicContact CB-CB 4.26Å; A108-I133 HydrophobicContact CB-CG2 3.89Å; A108-I133 WeakPolarHBondContact CB-O 3.47Å; A108-I133 PolarHBondContact N-O 2.64Å; A108-Q135 HydrophobicContact CB-CG 4.28Å
109T85.4Confident90.8Very high34 Ų3459 Ų5921%0.20933%0.334CS..  trans-158149179.9-165.90000111Q107 T112 Y115 I133Q107-T109 VanDerWaalsContact CD-O 3.3Å; Q107-T109 WeakPolarHBondContact CG-O 3.21Å; T109-T112 HydrophobicContact CG2-CG2 3.88Å; T109-Y115 HydrophobicContact CG2-CD2 4.49Å; T109-Y115 HydrophobicContact CG2-CE2 4.07Å; T109-I133 HydrophobicContact CG2-CD1 4.46Å
110T81.6Confident90.9Very high133 Ų13363 Ų6382%0.81635%0.35SS*.SBendtrans-86.5-11.4-178.2510000114.1
111N82.7Confident90.7Very high77 Ų7767.6 Ų67.641%0.41237%0.367SS..  trans-132.5112.3177.2-178.9-39.9000109.4S113N111-S113 PolarHBondContact OD1-N 3.14Å
112T88.1Confident90.4Very high19 Ų1973.2 Ų73.212%0.11739%0.39CS..  trans-102.2-2178.156.20000114.5T109 R114 Y115 L130 T131 I133T109-T112 HydrophobicContact CG2-CG2 3.88Å; T112-R114 PolarHBondContact O-N 3.39Å; T112-Y115 PolarHBondContact O-N 3.15Å; T112-L130 WeakPolarHBondContact CB-O 3.32Å; T112-L130 PolarHBondContact OG1-O 3.16Å; T112-T131 PolarHBondContact OG1-O 3.25Å; T112-I133 HydrophobicContact CG2-CD1 4.41Å; T112-I133 HydrophobicContact CG2-CG1 4.05Å
113S88.1Confident90Very high112 Ų11272.7 Ų72.778%0.78339%0.39SS*.THydrogen-bonded Turntrans-61.5-12.6-173.4-49.20000114.9N111N111-S113 PolarHBondContact OD1-N 3.14Å
114R90.5Very high89.8Confident168 Ų16875.9 Ų75.963%0.63441%0.405SS*.THydrogen-bonded Turntrans-101.23.3174.967.8174-179.5-114.7-5.5114.4T112T112-R114 PolarHBondContact O-N 3.39Å
115Y93.3Very high89.7Confident91 Ų9177 Ų7736%0.35741%0.409SS..  trans-119.5139.4179.6-55.4-69.4000110.4T109 T112 L130 I133T109-Y115 HydrophobicContact CG2-CD2 4.49Å; T109-Y115 HydrophobicContact CG2-CE2 4.07Å; T112-Y115 PolarHBondContact O-N 3.15Å; Y115-L130 PolarHBondContact O-N 3.14Å; Y115-I133 HydrophobicContact CD2-CD1 3.64Å; Y115-I133 HydrophobicContact CE2-CD1 4.26Å; Y115-I133 HydrophobicContact CG-CD1 3.87Å
116A94.2Very high89.6Confident47 Ų4777.1 Ų77.139%0.38841%0.41SS..EExtended strand (participates in β ladder)trans-141.7152.2179.100000109.6I127 T128A116-I127 HydrophobicContact CB-CG2 3.36Å; A116-T128 CarbonylContact C-O 3.5Å; A116-T128 VanDerWaalsContact CA-O 3.24Å; A116-T128 WeakPolarHBondContact CA-O 3.27Å; A116-T128 VanDerWaalsContact CB-O 3.29Å; A116-T128 WeakPolarHBondContact CB-O 3.46Å
117A94.3Very high89.8Confident35 Ų3574.3 Ų74.329%0.28940%0.396SS..EExtended strand (participates in β ladder)trans-82.1144.7161.800000108.8L26 I127 T128 L130L26-A117 HydrophobicContact CD2-CB 3.83Å; A117-I127 CarbonylContact O-C 3.57Å; A117-I127 WeakPolarHBondContact O-CA 3.36Å; A117-T128 PolarHBondContact N-O 2.86Å; A117-T128 PolarHBondContact O-N 2.82Å; A117-L130 HydrophobicContact CB-CD2 4.29Å
118A94.4Very high90Very high61 Ų6170.4 Ų70.450%0.50438%0.378SS..EExtended strand (participates in β ladder)trans-125133.517500000110.1L125 H126 I127A118-L125 HydrophobicContact CB-CD1 3.91Å; A118-L125 HydrophobicContact CB-CG 4.35Å; A118-H126 CarbonylContact C-O 3.22Å; A118-H126 WeakPolarHBondContact CA-O 3.24Å; A118-I127 HydrophobicContact CB-CG1 4.25Å
119V93.4Very high90.3Very high32 Ų3270.2 Ų70.219%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-114.1109.8176.5-178.40000107.9H126 L226 Y227V119-H126 PolarHBondContact N-O 2.8Å; V119-H126 PolarHBondContact O-N 3.42Å; V119-L226 HydrophobicContact CG2-CB 4.02Å; V119-L226 HydrophobicContact CG2-CD1 3.93Å; V119-Y227 HydrophobicContact CG1-CE1 3.81Å
120F92.8Very high90.7Very high115 Ų11569.2 Ų69.250%0.50437%0.366SS..EExtended strand (participates in β ladder)trans-88.2132.6174.5-176.1-113.3000110.8I14 E124 L125I14-F120 HydrophobicContact CD1-CE2 3.97Å; I14-F120 HydrophobicContact CD1-CZ 4.28Å; I14-F120 HydrophobicContact CG1-CE2 4.33Å; I14-F120 HydrophobicContact CG2-CE2 4.04Å; F120-E124 CarbonylContact C-O 3.59Å; F120-E124 WeakPolarHBondContact CA-O 3.43Å; F120-E124 VanDerWaalsContact CD2-O 3.28Å; F120-E124 WeakPolarHBondContact CD2-O 3.41Å; F120-L125 HydrophobicContact CB-CD1 3.89Å; F120-L125 HydrophobicContact CD2-CB 4.4Å; F120-L125 HydrophobicContact CD2-CD1 4.18Å
121R87.1Confident91.3Very high132 Ų13264.1 Ų64.150%0.49834%0.335SS..EExtended strand (participates in β ladder)trans-156.9124.9179.3-171.4174.7-170.8-163.73.8110.5G123 E124 Y227R121-G123 VanDerWaalsContact C-N 3.26Å; R121-G123 PolarHBondContact O-N 2.97Å; R121-E124 PolarHBondContact N-O 3.3Å; R121-E124 WeakPolarHBondContact O-CB 3.49Å; R121-E124 PolarHBondContact O-N 2.84Å; R121-Y227 HydrophobicContact CB-CE1 4.17Å; R121-Y227 VanDerWaalsContact CD-CE1 3.47Å; R121-Y227 HydrophobicContact CG-CE1 4.48Å
122K86Confident91.7Very high188 Ų18860.5 Ų60.582%0.81732%0.315SS*.THydrogen-bonded Turntrans55.927.1173.7-62.1177.3168-1700116
123G86.1Confident92Very high18 Ų1860.2 Ų60.219%0.18631%0.313CS..THydrogen-bonded Turntrans91.4-2.5-174.700000114.3I14 D15 R121I14-G123 WeakPolarHBondContact CG2-O 3.42Å; D15-G123 PolarHBondContact N-O 2.97Å; R121-G123 VanDerWaalsContact C-N 3.26Å; R121-G123 PolarHBondContact O-N 2.97Å
124E90.8Very high92.4Very high68 Ų6855 Ų5532%0.31828%0.276SS..EExtended strand (participates in β ladder)trans-101.4140.2174.7-56.2169.4-132.900110.5Y17 F120 R121 H126Y17-E124 HydrophobicContact CD2-CB 4.33Å; Y17-E124 HydrophobicContact CE2-CB 3.98Å; Y17-E124 HydrophobicContact CE2-CG 3.91Å; F120-E124 CarbonylContact C-O 3.59Å; F120-E124 WeakPolarHBondContact CA-O 3.43Å; F120-E124 VanDerWaalsContact CD2-O 3.28Å; F120-E124 WeakPolarHBondContact CD2-O 3.41Å; R121-E124 PolarHBondContact N-O 3.3Å; R121-E124 WeakPolarHBondContact O-CB 3.49Å; R121-E124 PolarHBondContact O-N 2.84Å; E124-H126 IonicContact OE2-NE2 3.5Å; E124-H126 PolarHBondContact OE2-NE2 2.81Å
125L93.4Very high92.6Very high44 Ų4449.3 Ų49.323%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-117.5104.7176-172.170.5000110.9I14 D15 V16 Y17 A118 F120 I127I14-L125 HydrophobicContact CG2-CB 3.97Å; D15-L125 PolarHBondContact O-N 3.47Å; V16-L125 WeakPolarHBondContact CA-O 3.36Å; V16-L125 HydrophobicContact CG1-CD2 4.46Å; V16-L125 HydrophobicContact CG2-CB 4.4Å; V16-L125 HydrophobicContact CG2-CD2 4.3Å; Y17-L125 PolarHBondContact N-O 3.25Å; A118-L125 HydrophobicContact CB-CD1 3.91Å; A118-L125 HydrophobicContact CB-CG 4.35Å; F120-L125 HydrophobicContact CB-CD1 3.89Å; F120-L125 HydrophobicContact CD2-CB 4.4Å; F120-L125 HydrophobicContact CD2-CD1 4.18Å; L125-I127 HydrophobicContact CD2-CD1 4.42Å; L125-I127 HydrophobicContact CG-CG1 4.38Å
126H92.3Very high92.7Very high8 Ų845 Ų454%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-95116.4178.3-50.1-92.1000111.1Y17 A118 V119 E124 Y227 C228Y17-H126 WeakPolarHBondContact CB-CE1 3.44Å; Y17-H126 AromaticContact CD2-CE1 3.21Å; Y17-H126 WeakPolarHBondContact CD2-CE1 3.31Å; Y17-H126 AromaticContact CD2-ND1 3.54Å; Y17-H126 AromaticContact CD2-NE2 3.2Å; Y17-H126 WeakPolarHBondContact CD2-NE2 3.26Å; Y17-H126 AromaticContact CE2-NE2 3.52Å; Y17-H126 AromaticContact CG-CE1 3.48Å; Y17-H126 VanDerWaalsContact CG-CE1 3.48Å; A118-H126 CarbonylContact C-O 3.22Å; A118-H126 WeakPolarHBondContact CA-O 3.24Å; V119-H126 PolarHBondContact N-O 2.8Å; V119-H126 PolarHBondContact O-N 3.42Å; E124-H126 IonicContact OE2-NE2 3.5Å; E124-H126 PolarHBondContact OE2-NE2 2.81Å; H126-Y227 AromaticContact CD2-CD1 3.47Å; H126-Y227 VanDerWaalsContact CD2-CD1 3.47Å; H126-Y227 WeakPolarHBondContact CD2-CD1 3.32Å; H126-C228 WeakPolarHBondContact CE1-CB 3.43Å; H126-C228 PolarHBondContact CE1-N 2.91Å; H126-C228 PolarHBondContact ND1-N 2.91Å
127I93.8Very high92.7Very high48 Ų4848.2 Ų48.225%0.24624%0.242CC..EExtended strand (participates in β ladder)trans-98.4133.2-178.6-59.4-174.8000109.5V16 Y17 L18 S19 A116 A117 A118 L125V16-I127 HydrophobicContact CG1-CD1 3.45Å; V16-I127 VanDerWaalsContact CG1-CD1 3.45Å; V16-I127 HydrophobicContact CG1-CG1 4.04Å; Y17-I127 PolarHBondContact O-N 3.21Å; L18-I127 CarbonylContact C-O 3.54Å; L18-I127 WeakPolarHBondContact CA-O 3.36Å; L18-I127 HydrophobicContact CD1-CG2 4.48Å; S19-I127 PolarHBondContact N-O 2.93Å; A116-I127 HydrophobicContact CB-CG2 3.36Å; A117-I127 CarbonylContact O-C 3.57Å; A117-I127 WeakPolarHBondContact O-CA 3.36Å; A118-I127 HydrophobicContact CB-CG1 4.25Å; L125-I127 HydrophobicContact CD2-CD1 4.42Å; L125-I127 HydrophobicContact CG-CG1 4.38Å
128T94Very high92.7Very high1 Ų148 Ų481%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-128.9123.5175.1-56.20000110.4L22 L26 A116 A117 L226L22-T128 HydrophobicContact CB-CG2 4.16Å; L26-T128 HydrophobicContact CD2-CG2 3.72Å; A116-T128 CarbonylContact C-O 3.5Å; A116-T128 VanDerWaalsContact CA-O 3.24Å; A116-T128 WeakPolarHBondContact CA-O 3.27Å; A116-T128 VanDerWaalsContact CB-O 3.29Å; A116-T128 WeakPolarHBondContact CB-O 3.46Å; A117-T128 PolarHBondContact N-O 2.86Å; A117-T128 PolarHBondContact O-N 2.82Å; T128-L226 HydrophobicContact CG2-CD2 4.17Å; T128-L226 PolarHBondContact OG1-O 3.48Å
129P94.7Very high92.7Very high43 Ų4346.6 Ų46.628%0.27922%0.224SC..EExtended strand (participates in β ladder)trans-57.8149.7178.7-25.234.7000114L18 S19 A23L18-P129 HydrophobicContact CD1-CG 4.24Å; S19-P129 WeakPolarHBondContact O-CD 3.22Å; A23-P129 HydrophobicContact CB-CB 4.18Å; A23-P129 HydrophobicContact CB-CG 4.18Å
130L93.8Very high92.7Very high14 Ų1450.8 Ų50.87%0.07324%0.24CC..  trans-96.8126.6176.8-69.3175.3000112.3L26 L28 T112 Y115 A117 I133L26-L130 HydrophobicContact CB-CD2 4.45Å; L26-L130 HydrophobicContact CD2-CD2 3.92Å; L26-L130 HydrophobicContact CG-CD2 3.82Å; L28-L130 HydrophobicContact CB-CD1 4.06Å; L28-L130 HydrophobicContact CB-CD2 4.27Å; L28-L130 HydrophobicContact CD2-CD1 4.16Å; T112-L130 WeakPolarHBondContact CB-O 3.32Å; T112-L130 PolarHBondContact OG1-O 3.16Å; Y115-L130 PolarHBondContact O-N 3.14Å; A117-L130 HydrophobicContact CB-CD2 4.29Å; L130-I133 HydrophobicContact CD1-CD1 4.26Å; L130-I133 HydrophobicContact CD1-CG1 4.15Å
131T92.6Very high92.6Very high26 Ų2648 Ų4816%0.1623%0.234CC..SBendtrans-71.6-35.3175.6-370000112A23 D24 K25 L26 Y27 Q55 T112A23-T131 PolarHBondContact O-OG1 3.22Å; D24-T131 WeakPolarHBondContact CA-OG1 3.49Å; K25-T131 PolarHBondContact N-OG1 2.8Å; L26-T131 PolarHBondContact N-OG1 3.32Å; L26-T131 PolarHBondContact O-N 2.96Å; L26-T131 PolarHBondContact O-OG1 3.33Å; Y27-T131 HydrophobicContact CE2-CG2 4.16Å; Q55-T131 PolarHBondContact NE2-O 3.13Å; T112-T131 PolarHBondContact OG1-O 3.25Å
132G92.1Very high92.7Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-162.1149.4-177.700000112.8Y27 L28Y27-G132 WeakPolarHBondContact CA-O 3.35Å; L28-G132 PolarHBondContact N-O 3.16Å
133I95.1Very high93Very high14 Ų1438.4 Ų38.47%0.07220%0.199CC..EExtended strand (participates in β ladder)trans-119.3118.6173.5-56.4176.3000108L28 A108 T109 T112 Y115 L130L28-I133 HydrophobicContact CB-CG1 4.28Å; L28-I133 HydrophobicContact CB-CG2 4.42Å; L28-I133 HydrophobicContact CD2-CG1 4.49Å; L28-I133 HydrophobicContact CD2-CG2 4.23Å; L28-I133 HydrophobicContact CG-CG2 4.44Å; A108-I133 HydrophobicContact CB-CB 4.26Å; A108-I133 HydrophobicContact CB-CG2 3.89Å; A108-I133 WeakPolarHBondContact CB-O 3.47Å; A108-I133 PolarHBondContact N-O 2.64Å; T109-I133 HydrophobicContact CG2-CD1 4.46Å; T112-I133 HydrophobicContact CG2-CD1 4.41Å; T112-I133 HydrophobicContact CG2-CG1 4.05Å; Y115-I133 HydrophobicContact CD2-CD1 3.64Å; Y115-I133 HydrophobicContact CE2-CD1 4.26Å; Y115-I133 HydrophobicContact CG-CD1 3.87Å; L130-I133 HydrophobicContact CD1-CD1 4.26Å; L130-I133 HydrophobicContact CD1-CG1 4.15Å
134L94.8Very high93.2Very high1 Ų142.9 Ų42.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-124.3122.9-167.1-58.2-174.6000111.2Y27 L28 L29 Q30 Q55 L57 M106 Q107Y27-L134 HydrophobicContact CD1-CD1 3.9Å; Y27-L134 HydrophobicContact CD1-CG 4.2Å; L28-L134 PolarHBondContact O-N 3.44Å; L29-L134 HydrophobicContact CD2-CB 3.89Å; L29-L134 HydrophobicContact CD2-CD1 3.95Å; L29-L134 HydrophobicContact CD2-CG 4.36Å; Q30-L134 PolarHBondContact N-O 3.17Å; Q55-L134 HydrophobicContact CB-CD2 4.09Å; Q55-L134 WeakPolarHBondContact O-CD1 3.24Å; Q55-L134 WeakPolarHBondContact O-CD2 3.48Å; L57-L134 HydrophobicContact CB-CD1 4.17Å; M106-L134 WeakPolarHBondContact O-CA 2.99Å; Q107-L134 HydrophobicContact CB-CD2 4.4Å; Q107-L134 HydrophobicContact CG-CD2 4.4Å
135Q95.3Very high93.2Very high50 Ų5044 Ų4423%0.23422%0.223CC..EExtended strand (participates in β ladder)trans-88.7111.8170.8-71.1-175.13.800109.9Q30 P32 S105 M106 A108Q30-Q135 HydrophobicContact CB-CG 4.49Å; Q30-Q135 CarbonylContact O-C 3.58Å; P32-Q135 HydrophobicContact CG-CB 4.17Å; P32-Q135 HydrophobicContact CG-CG 3.96Å; S105-Q135 CarbonylContact C-O 3.54Å; S105-Q135 WeakPolarHBondContact CA-O 3.24Å; M106-Q135 PolarHBondContact N-O 3.28Å; M106-Q135 PolarHBondContact O-N 3.03Å; A108-Q135 HydrophobicContact CB-CG 4.28Å
136M94.8Very high92.9Very high0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-79.4129.4172-57-52.3-63.100109.8L29 Q30 Y31 P32 L57 L59 F103 S105L29-M136 HydrophobicContact CB-CG 4.36Å; L29-M136 HydrophobicContact CD2-SD 4.33Å; Q30-M136 PolarHBondContact O-N 3.45Å; Y31-M136 HydrophobicContact CD1-CB 3.61Å; Y31-M136 HydrophobicContact CD1-CG 4.33Å; Y31-M136 HydrophobicContact CE1-CB 3.47Å; Y31-M136 VanDerWaalsContact CE1-CB 3.47Å; Y31-M136 HydrophobicContact CE1-CG 3.83Å; Y31-M136 HydrophobicContact CE2-CG 4.34Å; Y31-M136 HydrophobicContact CG-CB 4.26Å; P32-M136 WeakPolarHBondContact CD-O 3.34Å; L57-M136 HydrophobicContact CB-SD 4.46Å; L57-M136 HydrophobicContact CD2-CE 4.21Å; L57-M136 HydrophobicContact CD2-SD 4.04Å; L57-M136 HydrophobicContact CG-CE 4.4Å; L59-M136 HydrophobicContact CB-CE 4.45Å; L59-M136 HydrophobicContact CD1-CE 4.02Å; L59-M136 HydrophobicContact CG-CE 3.96Å; F103-M136 HydrophobicContact CB-CE 3.95Å; S105-M136 WeakPolarHBondContact CB-SD 3.4Å
137R94.8Very high92.9Very high115 Ų11547.3 Ų47.343%0.43424%0.242SC..EExtended strand (participates in β ladder)trans-130.2143.1176-60.5-175.3-177.8-142.6-2.1109.9F103 S104 S139F103-R137 CarbonylContact C-O 3.51Å; F103-R137 VanDerWaalsContact CA-O 3.27Å; F103-R137 WeakPolarHBondContact CA-O 3.35Å; S104-R137 PolarHBondContact N-O 2.98Å; S104-R137 PolarHBondContact O-N 3.2Å; R137-S139 PolarHBondContact O-N 3.36Å
138P94.4Very high92.6Very high31 Ų3147.5 Ų47.520%0.20125%0.248CC..EExtended strand (participates in β ladder)trans-53.6131.3169-24.233.4000110.6V33 F103 F140V33-P138 HydrophobicContact CG2-CG 4.29Å; F103-P138 HydrophobicContact CD1-CG 4.23Å; F103-P138 HydrophobicContact CE1-CB 4.4Å; F103-P138 HydrophobicContact CE1-CG 3.7Å; F103-P138 HydrophobicContact CZ-CG 4.23Å; P138-F140 HydrophobicContact CB-CE2 4.48Å; P138-F140 HydrophobicContact CB-CZ 4.35Å
139S93.8Very high92.2Very high30 Ų3051.4 Ų51.421%0.2127%0.265CS..  trans-87.7132.4172.5-168.50000110.1T102 R137 S141T102-S139 WeakPolarHBondContact O-CB 3.38Å; T102-S139 PolarHBondContact O-N 2.94Å; R137-S139 PolarHBondContact O-N 3.36Å; S139-S141 WeakPolarHBondContact OG-CB 3.35Å; S139-S141 PolarHBondContact OG-N 2.87Å; S139-S141 PolarHBondContact OG-OG 3.22Å
140F93.9Very high91.8Very high121 Ų12151.9 Ų51.953%0.53127%0.267SS..  trans-99.210.8172.4-63-72.8000112.8P138 Y142 L143P138-F140 HydrophobicContact CB-CE2 4.48Å; P138-F140 HydrophobicContact CB-CZ 4.35Å; F140-Y142 HydrophobicContact CD1-CE1 4.02Å; F140-Y142 PolarHBondContact O-N 2.94Å; F140-L143 HydrophobicContact CB-CD1 4.26Å; F140-L143 WeakPolarHBondContact O-CB 3.42Å; F140-L143 PolarHBondContact O-N 3.47Å
141S90.2Very high91.4Very high55 Ų5560.3 Ų60.339%0.38530%0.297SS..Hα-helixtrans-61.7-0.3-178.461.30000116.1S139 D144S139-S141 WeakPolarHBondContact OG-CB 3.35Å; S139-S141 PolarHBondContact OG-N 2.87Å; S139-S141 PolarHBondContact OG-OG 3.22Å; S141-D144 WeakPolarHBondContact CA-OD2 3.33Å
142Y90.7Very high91Very high39 Ų3963.8 Ų63.815%0.15331%0.312CS..Hα-helixtrans-79.4-31166.265-88.8000111.3I78 V82 Y93 M98 F140 K145 A146I78-Y142 HydrophobicContact CG2-CD2 3.99Å; I78-Y142 HydrophobicContact CG2-CE2 3.97Å; V82-Y142 HydrophobicContact CG2-CD2 4.17Å; V82-Y142 WeakPolarHBondContact CG2-O 3.3Å; Y93-Y142 WeakPolarHBondContact OH-CB 3.2Å; M98-Y142 HydrophobicContact CE-CD1 4.39Å; M98-Y142 HydrophobicContact CE-CE1 3.84Å; M98-Y142 HydrophobicContact CE-CE2 4.23Å; F140-Y142 HydrophobicContact CD1-CE1 4.02Å; F140-Y142 PolarHBondContact O-N 2.94Å; Y142-K145 WeakPolarHBondContact O-CB 3.45Å; Y142-K145 PolarHBondContact O-N 3.43Å; Y142-A146 PolarHBondContact O-N 3.05Å
143L92.3Very high90.5Very high81 Ų8168.5 Ų68.542%0.42433%0.33SS..Hα-helixtrans-64.6-48.3172.1-59.3179.7000110.5F140 K145 A146 D147F140-L143 HydrophobicContact CB-CD1 4.26Å; F140-L143 WeakPolarHBondContact O-CB 3.42Å; F140-L143 PolarHBondContact O-N 3.47Å; L143-K145 PolarHBondContact O-N 3.05Å; L143-K145 VanDerWaalsContact O-N 3.14Å; L143-A146 WeakPolarHBondContact O-CA 3.46Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 3.28Å; L143-D147 PolarHBondContact O-N 3.23Å
144D90.6Very high90Very high111 Ų11173 Ų7359%0.59435%0.35SS*.Hα-helixtrans-53.5-37.4175.5-49.7-25.2000112.4S141 S148S141-D144 WeakPolarHBondContact CA-OD2 3.33Å; D144-S148 WeakPolarHBondContact O-CB 3.29Å; D144-S148 PolarHBondContact O-N 3.3Å
145K88.9Confident89.5Confident93 Ų9375.9 Ų75.940%0.40437%0.374SS..Hα-helixtrans-69.9-41.1173.8-79.7-178167.5-158.20113.1V82 T92 Y142 L143 D147 S148 K149V82-K145 HydrophobicContact CG1-CB 4.16Å; V82-K145 HydrophobicContact CG1-CD 4.12Å; T92-K145 PolarHBondContact OG1-NZ 2.83Å; Y142-K145 WeakPolarHBondContact O-CB 3.45Å; Y142-K145 PolarHBondContact O-N 3.43Å; L143-K145 PolarHBondContact O-N 3.05Å; L143-K145 VanDerWaalsContact O-N 3.14Å; K145-D147 VanDerWaalsContact C-N 3.34Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 3.16Å; K145-S148 VanDerWaalsContact O-OG 3.08Å; K145-K149 VanDerWaalsContact O-CB 3.3Å; K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 2.99Å
146A89.1Confident88.6Confident8 Ų876.8 Ų76.87%0.06639%0.391CS..Hα-helixtrans-65-41.3177.800000110.9N81 V82 Y142 L143 K149 T150N81-A146 HydrophobicContact CB-CB 4.07Å; N81-A146 WeakPolarHBondContact O-CA 3.37Å; V82-A146 HydrophobicContact CG2-CB 3.98Å; Y142-A146 PolarHBondContact O-N 3.05Å; L143-A146 WeakPolarHBondContact O-CA 3.46Å; L143-A146 WeakPolarHBondContact O-CB 3.49Å; L143-A146 PolarHBondContact O-N 3.28Å; A146-K149 PolarHBondContact O-N 3.05Å; A146-T150 WeakPolarHBondContact O-CB 3.19Å; A146-T150 PolarHBondContact O-N 3.38Å; A146-T150 PolarHBondContact O-OG1 3.14Å
147D90.7Very high87.5Confident112 Ų11283 Ų8360%0.59942%0.424SS*.Hα-helixtrans-66.5-42.5176.5-67.3-5.7000110.7L143 K145 T150 R151L143-D147 PolarHBondContact O-N 3.23Å; K145-D147 VanDerWaalsContact C-N 3.34Å; D147-T150 PolarHBondContact O-N 2.8Å; D147-R151 WeakPolarHBondContact O-CB 3.38Å; D147-R151 PolarHBondContact O-N 3.29Å
148S87.9Confident85.9Confident53 Ų5385.2 Ų85.237%0.37144%0.439SS..Hα-helixtrans-64.3-42.2174.581.30000112.3D144 K145 T150 R151 E152D144-S148 WeakPolarHBondContact O-CB 3.29Å; D144-S148 PolarHBondContact O-N 3.3Å; K145-S148 PolarHBondContact O-N 3.49Å; K145-S148 PolarHBondContact O-OG 3.16Å; K145-S148 VanDerWaalsContact O-OG 3.08Å; S148-T150 VanDerWaalsContact C-N 3.35Å; S148-T150 PolarHBondContact O-N 2.99Å; S148-R151 PolarHBondContact O-N 3.42Å; S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 VanDerWaalsContact O-CG 3.29Å; S148-E152 WeakPolarHBondContact O-CG 3.42Å; S148-E152 PolarHBondContact O-N 2.8Å
149K85.8Confident84Confident83 Ų8386.8 Ų86.836%0.36146%0.461SS..Hα-helixtrans-68.8-30.1176.9-77.7-74.1163.7-157.50113.6K145 A146 E152 R153K145-K149 VanDerWaalsContact O-CB 3.3Å; K145-K149 WeakPolarHBondContact O-CB 3.39Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 2.99Å; A146-K149 PolarHBondContact O-N 3.05Å; K149-E152 WeakPolarHBondContact CD-OE2 3.32Å; K149-E152 WeakPolarHBondContact CE-OE2 3.28Å; K149-E152 IonicContact NZ-OE1 3.25Å; K149-E152 IonicContact NZ-OE2 3.86Å; K149-E152 PolarHBondContact NZ-OE2 3.46Å; K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.1Å
150T85.3Confident82Confident53 Ų5388.4 Ų88.433%0.32548%0.482SS..Hα-helixtrans-69.7-48.8173-57.40000109.6A146 D147 S148 E152 R153 E154A146-T150 WeakPolarHBondContact O-CB 3.19Å; A146-T150 PolarHBondContact O-N 3.38Å; A146-T150 PolarHBondContact O-OG1 3.14Å; D147-T150 PolarHBondContact O-N 2.8Å; S148-T150 VanDerWaalsContact C-N 3.35Å; S148-T150 PolarHBondContact O-N 2.99Å; T150-E152 VanDerWaalsContact C-N 3.35Å; T150-E152 PolarHBondContact O-N 3.43Å; T150-R153 WeakPolarHBondContact O-CA 3.19Å; T150-R153 WeakPolarHBondContact O-CB 3.43Å; T150-R153 PolarHBondContact O-N 3.11Å; T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact O-CG 3.35Å; T150-E154 PolarHBondContact O-N 3.24Å
151R86Confident79.7Confident190 Ų19090.2 Ų90.272%0.71750%0.498SS*.Hα-helixtrans-61.9-37.4176.6-172.7178177.7-169.7-1.2113.7D147 S148 R153 E154 A155D147-R151 WeakPolarHBondContact O-CB 3.38Å; D147-R151 PolarHBondContact O-N 3.29Å; S148-R151 PolarHBondContact O-N 3.42Å; R151-R153 VanDerWaalsContact C-N 3.3Å; R151-R153 PolarHBondContact O-N 3.33Å; R151-E154 PolarHBondContact O-N 3.46Å; R151-A155 WeakPolarHBondContact O-CB 3.3Å; R151-A155 PolarHBondContact O-N 3.46Å
152E85.1Confident77.3Confident100 Ų10092 Ų9247%0.46751%0.51SS..Hα-helixtrans-60.5-38.2172.1-78.5169.9-15000111.9S148 K149 T150 A156S148-E152 WeakPolarHBondContact O-CB 3.39Å; S148-E152 VanDerWaalsContact O-CG 3.29Å; S148-E152 WeakPolarHBondContact O-CG 3.42Å; S148-E152 PolarHBondContact O-N 2.8Å; K149-E152 WeakPolarHBondContact CD-OE2 3.32Å; K149-E152 WeakPolarHBondContact CE-OE2 3.28Å; K149-E152 IonicContact NZ-OE1 3.25Å; K149-E152 IonicContact NZ-OE2 3.86Å; K149-E152 PolarHBondContact NZ-OE2 3.46Å; T150-E152 VanDerWaalsContact C-N 3.35Å; T150-E152 PolarHBondContact O-N 3.43Å; E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.28Å; E152-A156 PolarHBondContact O-N 3.16Å
153R81.7Confident75.4Confident99 Ų9995.6 Ų95.637%0.37454%0.541SS..Hα-helixtrans-75.4-38.7177.4-73.2169.9175.1156.86.1113.1K149 T150 R151 A156 N157K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.27Å; K149-R153 PolarHBondContact O-N 3.1Å; T150-R153 WeakPolarHBondContact O-CA 3.19Å; T150-R153 WeakPolarHBondContact O-CB 3.43Å; T150-R153 PolarHBondContact O-N 3.11Å; R151-R153 VanDerWaalsContact C-N 3.3Å; R151-R153 PolarHBondContact O-N 3.33Å; R153-A156 PolarHBondContact O-N 2.82Å; R153-N157 WeakPolarHBondContact O-CB 3.28Å; R153-N157 PolarHBondContact O-N 3.23Å
154E83.8Confident73.2Confident108 Ų108100.6 Ų100.651%0.50556%0.562SS.*Hα-helixtrans-60.5-50.9175-71.5168.1159.900109.7T150 R151 A156 N157 E158T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact O-CG 3.35Å; T150-E154 PolarHBondContact O-N 3.24Å; R151-E154 PolarHBondContact O-N 3.46Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 2.93Å; E154-N157 PolarHBondContact O-N 2.89Å; E154-N157 VanDerWaalsContact O-N 3.13Å; E154-E158 WeakPolarHBondContact O-CG 3.41Å; E154-E158 PolarHBondContact O-N 2.97Å
155A83.5Confident70.6Confident61 Ų61102.3 Ų102.350%0.50457%0.571SS.*Hα-helixtrans-60.9-36.7175.200000113.4R151 G159R151-A155 WeakPolarHBondContact O-CB 3.3Å; R151-A155 PolarHBondContact O-N 3.46Å; A155-G159 PolarHBondContact O-N 2.92Å; A155-G159 VanDerWaalsContact O-N 3.08Å
156A78.3Confident68.4Low70 Ų70107 Ų10758%0.57960%0.595SS**Hα-helixtrans-70.5-29.9176.200000113.4E152 R153 E154E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.28Å; E152-A156 PolarHBondContact O-N 3.16Å; R153-A156 PolarHBondContact O-N 2.82Å; E154-A156 VanDerWaalsContact C-N 3.32Å; E154-A156 PolarHBondContact O-N 2.93Å
157N70.4Confident66Low131 Ų131111 Ų11170%0.70163%0.628SS**Hα-helixtrans-81.4-38.7175.4-75.3-11.9000112.1R153 E154 G159 G160R153-N157 WeakPolarHBondContact O-CB 3.28Å; R153-N157 PolarHBondContact O-N 3.23Å; E154-N157 PolarHBondContact O-N 2.89Å; E154-N157 VanDerWaalsContact O-N 3.13Å; N157-G159 VanDerWaalsContact C-N 3.27Å; N157-G159 PolarHBondContact O-N 3.36Å; N157-G160 PolarHBondContact O-N 3.45Å
158E61.6Low63.6Low161 Ų161114 Ų11475%0.75264%0.638SS**Hα-helixtrans-65.1-31.7174.5-72.3-176.4153.700111.8E154 G160E154-E158 WeakPolarHBondContact O-CG 3.41Å; E154-E158 PolarHBondContact O-N 2.97Å; E158-G160 PolarHBondContact O-N 2.98Å; E158-G160 VanDerWaalsContact O-N 3.16Å
159G54.3Low61.5Low64 Ų64121 Ų12166%0.6667%0.665SS**THydrogen-bonded Turntrans-69.11.6168.500000115.3A155 N157A155-G159 PolarHBondContact O-N 2.92Å; A155-G159 VanDerWaalsContact O-N 3.08Å; N157-G159 VanDerWaalsContact C-N 3.27Å; N157-G159 PolarHBondContact O-N 3.36Å
160G51.8Low59.3Low64 Ų64124.8 Ų124.866%0.6668%0.684SS**THydrogen-bonded Turntrans-90.3-15.6-176.100000116.1N157 E158N157-G160 PolarHBondContact O-N 3.45Å; E158-G160 PolarHBondContact O-N 2.98Å; E158-G160 VanDerWaalsContact O-N 3.16Å
161D46.8Very low57.6Low159 Ų159126.9 Ų126.985%0.8571%0.707SS**SBendtrans-133.250.3-176.5-161.921.7000112.2
162S38.7Very low55.7Low93 Ų93126.5 Ų126.565%0.6571%0.71SS**  trans-144.772.1167.1-165.40000110.5
163S51.8Low53.9Low114 Ų114125.5 Ų125.580%0.79772%0.719SS**  trans-66.9137.615759.20000108.9
164Q44.7Very low52.2Low186 Ų186128.5 Ų128.587%0.86974%0.741SS**SBendtrans80.960.5174.7-157.6175.67.600116.4
165D36Very low50.6Low147 Ų147128.3 Ų128.379%0.78675%0.747SS**  trans-147.385.9133.4-117.7-13.9000109.9A167D165-A167 PolarHBondContact O-N 3.33Å
166E43.4Very low49.2Very low192 Ų192130.4 Ų130.490%0.89775%0.753SS**  trans-74.178.7162.3-75.1-157.4174.900108.6E168E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.88Å
167A38.5Very low48.1Very low92 Ų92137.9 Ų137.976%0.7677%0.767SS**  trans-63.998.816400000107.9D165D165-A167 PolarHBondContact O-N 3.33Å
168E39.5Very low47.3Very low175 Ų175140.4 Ų140.482%0.81877%0.771SS**  trans-39.4137.7-174.7-58176.913700112.5E166 E170E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.88Å; E168-E170 PolarHBondContact O-N 3.36Å
169E44.9Very low47.2Very low199 Ų199137.5 Ų137.593%0.9378%0.775SS**  trans-6586.3162.3-83.7-153.212100108.7A171E169-A171 PolarHBondContact O-N 2.91Å
170E39.7Very low47.7Very low163 Ų163145.5 Ų145.576%0.76279%0.785SS**  trans-50.8108162.2-108.4-155.1148.300106.7E168 K172E168-E170 PolarHBondContact O-N 3.36Å; E170-K172 PolarHBondContact O-N 3.47Å
171A48.9Very low48.1Very low97 Ų97148.7 Ų148.780%0.80280%0.795SS**  trans-65.685.7-178.200000109E169 A173E169-A171 PolarHBondContact O-N 2.91Å; A171-A173 VanDerWaalsContact C-N 3.34Å; A171-A173 PolarHBondContact O-N 3.43Å
172K47.2Very low49.3Very low182 Ų182144.8 Ų144.879%0.79177%0.771SS**  trans-55.796.1-175.3-82.5167.3-176.6150.90109.1E170 I174E170-K172 PolarHBondContact O-N 3.47Å; K172-I174 PolarHBondContact O-N 3.19Å; K172-I174 VanDerWaalsContact O-N 3.09Å
173A46.2Very low51.1Low79 Ų79144 Ų14465%0.65377%0.766SS**  trans-49.5121.7-177.100000108.5A171 T175A171-A173 VanDerWaalsContact C-N 3.34Å; A171-A173 PolarHBondContact O-N 3.43Å; A173-T175 PolarHBondContact O-N 2.92Å; A173-T175 PolarHBondContact O-OG1 3.04Å
174I46.7Very low52.4Low161 Ų161145.5 Ų145.583%0.82676%0.76SS**  trans-69.877-175.8-55.6177.2000107.9K172 V176K172-I174 PolarHBondContact O-N 3.19Å; K172-I174 VanDerWaalsContact O-N 3.09Å; I174-V176 VanDerWaalsContact C-N 3.35Å; I174-V176 PolarHBondContact O-N 3.34Å
175T49.7Very low54Low104 Ų104142.8 Ų142.864%0.63875%0.747SS**  trans-68.599.3172.427.70000105.7A173 R177A173-T175 PolarHBondContact O-N 2.92Å; A173-T175 PolarHBondContact O-OG1 3.04Å; T175-R177 PolarHBondContact O-N 3.19Å
176V53.8Low56.1Low105 Ų105137.6 Ų137.664%0.63673%0.725SS**  trans-63.184.6176.3-173.80000107.7I174 F178I174-V176 VanDerWaalsContact C-N 3.35Å; I174-V176 PolarHBondContact O-N 3.34Å; V176-F178 VanDerWaalsContact O-CD2 3.28Å; V176-F178 WeakPolarHBondContact O-CD2 3.23Å; V176-F178 PolarHBondContact O-N 2.98Å
177R54.9Low57.8Low228 Ų228135.5 Ų135.586%0.8671%0.709SS**  trans-69.586.2177-75.5-174.2176.5-168.8-0.5107.5T175 A179T175-R177 PolarHBondContact O-N 3.19Å; R177-A179 PolarHBondContact O-N 2.79Å; R177-A179 VanDerWaalsContact O-N 3.1Å
178F55Low59.8Low183 Ų183135.6 Ų135.680%0.80369%0.694SS**  trans-41.8120.7167.9-69.8-84.5000108.6V176 R180V176-F178 VanDerWaalsContact O-CD2 3.28Å; V176-F178 WeakPolarHBondContact O-CD2 3.23Å; V176-F178 PolarHBondContact O-N 2.98Å; F178-R180 PolarHBondContact O-N 3.03Å
179A57.8Low61.9Low101 Ų101135.7 Ų135.784%0.83569%0.687SS**  trans-59.6109.3-173.200000108.9R177R177-A179 PolarHBondContact O-N 2.79Å; R177-A179 VanDerWaalsContact O-N 3.1Å
180R64.9Low63.6Low231 Ų231132.1 Ų132.187%0.87266%0.664SS**  trans-55.1133.2173.7-76.1-175.6172.7-177.2-2.2107.7F178 E182F178-R180 PolarHBondContact O-N 3.03Å; R180-E182 PolarHBondContact O-N 3.22Å
181P61.7Low65.6Low131 Ų131128.2 Ų128.285%0.85165%0.648SS**  trans-57.9113175.223.1-32.2000108.7
182E70.5Confident67.2Low77 Ų77131 Ų13136%0.3664%0.644SS.*  trans-67.8131.1-177.6-175.4-178.3-142.900109.3R180 A186 R187 R190R180-E182 PolarHBondContact O-N 3.22Å; E182-A186 HydrophobicContact CG-CB 3.78Å; E182-R187 HydrophobicContact CG-CB 4.05Å; E182-R187 WeakPolarHBondContact OE2-CA 3.33Å; E182-R187 VanDerWaalsContact OE2-CB 3.26Å; E182-R187 WeakPolarHBondContact OE2-CB 3.36Å; E182-R187 WeakPolarHBondContact OE2-CG 3.47Å; E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 3.49Å; E182-R190 PolarHBondContact OE1-NE 3.36Å; E182-R190 IonicContact OE1-NH2 2.82Å; E182-R190 IonicContact OE2-CZ 2.94Å; E182-R190 IonicContact OE2-NE 2.67Å; E182-R190 PolarHBondContact OE2-NE 3.01Å; E182-R190 IonicContact OE2-NH2 3.1Å; E182-R190 PolarHBondContact OE2-NH2 3.47Å
183S78.1Confident69.1Low76 Ų76124 Ų12453%0.53162%0.619SS.*  trans-64.8147.4176.169.80000110.3Q185 A186 R187S183-Q185 PolarHBondContact O-N 3.3Å; S183-Q185 VanDerWaalsContact O-N 3.16Å; S183-A186 WeakPolarHBondContact O-CA 3.44Å; S183-A186 WeakPolarHBondContact O-CB 3.33Å; S183-A186 PolarHBondContact O-N 3Å; S183-A186 WeakPolarHBondContact OG-CB 3.43Å; S183-A186 PolarHBondContact OG-N 3.33Å; S183-R187 PolarHBondContact O-N 3.03Å
184E78.1Confident71Confident146 Ų146128.3 Ų128.368%0.68262%0.619SS**Hα-helixtrans-57.3-37.8-173.5-167.8176.3-175.200112.6R187 Q188E184-R187 PolarHBondContact O-N 3.17Å; E184-Q188 WeakPolarHBondContact O-CB 3.46Å; E184-Q188 VanDerWaalsContact O-CG 3.25Å; E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.33Å
185Q77.5Confident72.9Confident129 Ų129127.8 Ų127.860%0.60361%0.613SS**Hα-helixtrans-66.3-37.6173.8-66.4-174.8-0.400113.4S183 Q188 R189S183-Q185 PolarHBondContact O-N 3.3Å; S183-Q185 VanDerWaalsContact O-N 3.16Å; Q185-Q188 PolarHBondContact O-N 3.14Å; Q185-R189 VanDerWaalsContact O-CG 3.32Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.44Å
186A80.9Confident74.6Confident38 Ų38126.2 Ų126.231%0.31460%0.598SS.*Hα-helixtrans-66.9-43.2175.200000110.6E182 S183 Q188 R189 R190E182-A186 HydrophobicContact CG-CB 3.78Å; S183-A186 WeakPolarHBondContact O-CA 3.44Å; S183-A186 WeakPolarHBondContact O-CB 3.33Å; S183-A186 PolarHBondContact O-N 3Å; S183-A186 WeakPolarHBondContact OG-CB 3.43Å; S183-A186 PolarHBondContact OG-N 3.33Å; A186-Q188 PolarHBondContact O-N 3.16Å; A186-R189 PolarHBondContact O-N 3.07Å; A186-R190 WeakPolarHBondContact O-CB 3.27Å; A186-R190 PolarHBondContact O-N 3.21Å
187R80.3Confident76Confident148 Ų148125.4 Ų125.456%0.55859%0.589SS**Hα-helixtrans-59.5-43.3174.3-172.1178176.1-163.7-0.1112.2E182 S183 E184 R190 I191E182-R187 HydrophobicContact CG-CB 4.05Å; E182-R187 WeakPolarHBondContact OE2-CA 3.33Å; E182-R187 VanDerWaalsContact OE2-CB 3.26Å; E182-R187 WeakPolarHBondContact OE2-CB 3.36Å; E182-R187 WeakPolarHBondContact OE2-CG 3.47Å; S183-R187 PolarHBondContact O-N 3.03Å; E184-R187 PolarHBondContact O-N 3.17Å; R187-R190 PolarHBondContact O-N 3.28Å; R187-I191 HydrophobicContact CG-CD1 3.95Å; R187-I191 WeakPolarHBondContact O-CB 3.32Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.47Å; R187-I191 PolarHBondContact O-N 2.73Å
188Q80.6Confident77.4Confident95 Ų95119.2 Ų119.244%0.44457%0.57SS.*Hα-helixtrans-63-47.4175.4-74.2168.82.800111.7E184 Q185 A186 R190 I191 Q192E184-Q188 WeakPolarHBondContact O-CB 3.46Å; E184-Q188 VanDerWaalsContact O-CG 3.25Å; E184-Q188 WeakPolarHBondContact O-CG 3.43Å; E184-Q188 PolarHBondContact O-N 3.33Å; Q185-Q188 PolarHBondContact O-N 3.14Å; A186-Q188 PolarHBondContact O-N 3.16Å; Q188-R190 VanDerWaalsContact C-N 3.3Å; Q188-R190 PolarHBondContact O-N 2.86Å; Q188-I191 PolarHBondContact O-N 2.7Å; Q188-Q192 WeakPolarHBondContact O-CB 3.48Å; Q188-Q192 WeakPolarHBondContact O-CG 3.23Å; Q188-Q192 PolarHBondContact O-N 2.71Å
189R81.9Confident79Confident177 Ų177117.2 Ų117.267%0.66856%0.561SS**Hα-helixtrans-60.7-38.1175.4-72175.2-172.2-178.94.5112.5Q185 A186 Q192 S193Q185-R189 VanDerWaalsContact O-CG 3.32Å; Q185-R189 WeakPolarHBondContact O-CG 3.35Å; Q185-R189 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-N 3.07Å; R189-Q192 CarbonylContact O-C 3.53Å; R189-Q192 PolarHBondContact O-N 3.03Å; R189-S193 PolarHBondContact O-N 3.28Å; R189-S193 VanDerWaalsContact O-N 3.11Å
190R81.8Confident80.3Confident123 Ų123118.4 Ų118.446%0.46455%0.548SS..Hα-helixtrans-66.5-42.9174.8-17516563.7103.2-2.7111.8E182 A186 R187 Q188 Q192 S193 F196E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 3.49Å; E182-R190 PolarHBondContact OE1-NE 3.36Å; E182-R190 IonicContact OE1-NH2 2.82Å; E182-R190 IonicContact OE2-CZ 2.94Å; E182-R190 IonicContact OE2-NE 2.67Å; E182-R190 PolarHBondContact OE2-NE 3.01Å; E182-R190 IonicContact OE2-NH2 3.1Å; E182-R190 PolarHBondContact OE2-NH2 3.47Å; A186-R190 WeakPolarHBondContact O-CB 3.27Å; A186-R190 PolarHBondContact O-N 3.21Å; R187-R190 PolarHBondContact O-N 3.28Å; Q188-R190 VanDerWaalsContact C-N 3.3Å; Q188-R190 PolarHBondContact O-N 2.86Å; R190-Q192 PolarHBondContact O-N 2.82Å; R190-S193 WeakPolarHBondContact O-CB 3.46Å; R190-S193 PolarHBondContact O-N 3.28Å; R190-S193 VanDerWaalsContact O-N 3.11Å; R190-S193 PolarHBondContact O-OG 2.89Å; R190-F196 WeakPolarHBondContact O-CB 3.49Å; R190-F196 WeakPolarHBondContact O-CG 3.44Å
191I81.1Confident81.2Confident81 Ų81110.7 Ų110.742%0.41552%0.521SS..Hα-helixtrans-65.2-29175.6-71166.1000112R187 Q188 F196R187-I191 HydrophobicContact CG-CD1 3.95Å; R187-I191 WeakPolarHBondContact O-CB 3.32Å; R187-I191 VanDerWaalsContact O-CG1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.47Å; R187-I191 PolarHBondContact O-N 2.73Å; Q188-I191 PolarHBondContact O-N 2.7Å; I191-F196 HydrophobicContact CB-CD1 4.39Å; I191-F196 HydrophobicContact CB-CE1 4.21Å; I191-F196 HydrophobicContact CG1-CE1 4.04Å; I191-F196 HydrophobicContact CG1-CZ 4.06Å; I191-F196 HydrophobicContact CG2-CD1 4.47Å; I191-F196 HydrophobicContact CG2-CE1 4.07Å; I191-F196 WeakPolarHBondContact O-CD1 3.43Å
192Q81.9Confident82.3Confident156 Ų156107.8 Ų107.873%0.72951%0.508SS*.THydrogen-bonded Turntrans-86-1.7174.8-68.8171.7-5.100113.7Q188 R189 R190Q188-Q192 WeakPolarHBondContact O-CB 3.48Å; Q188-Q192 WeakPolarHBondContact O-CG 3.23Å; Q188-Q192 PolarHBondContact O-N 2.71Å; R189-Q192 CarbonylContact O-C 3.53Å; R189-Q192 PolarHBondContact O-N 3.03Å; R190-Q192 PolarHBondContact O-N 2.82Å
193S88.3Confident83.2Confident36 Ų36110.5 Ų110.525%0.25252%0.521SS..SBendtrans-76147.9-179.294.30000111.8R189 R190 E195 F196 L197R189-S193 PolarHBondContact O-N 3.28Å; R189-S193 VanDerWaalsContact O-N 3.11Å; R190-S193 WeakPolarHBondContact O-CB 3.46Å; R190-S193 PolarHBondContact O-N 3.28Å; R190-S193 VanDerWaalsContact O-N 3.11Å; R190-S193 PolarHBondContact O-OG 2.89Å; S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact O-N 2.86Å; S193-F196 PolarHBondContact O-N 3.02Å; S193-F196 PolarHBondContact OG-N 3.2Å; S193-F196 VanDerWaalsContact OG-N 3.14Å; S193-L197 PolarHBondContact O-N 3.23Å
194Y85.8Confident83.9Confident169 Ų169108 Ų10866%0.66350%0.501SS*.Hα-helixtrans-58.3-42.7175.9176.5-98.3000111.7F196 L197 Q198Y194-F196 PolarHBondContact O-N 3.41Å; Y194-L197 PolarHBondContact O-N 3.47Å; Y194-Q198 HydrophobicContact CE1-CB 4.36Å; Y194-Q198 VanDerWaalsContact CE1-OE1 3.28Å; Y194-Q198 VanDerWaalsContact O-CB 3.24Å; Y194-Q198 WeakPolarHBondContact O-CB 3.45Å; Y194-Q198 PolarHBondContact O-N 3.3Å
195E85.6Confident84.6Confident149 Ų149105.8 Ų105.870%0.69650%0.499SS*.Hα-helixtrans-60.3-44.2178.5-58.9175.4157.500112.5S193 Q198 K199S193-E195 VanDerWaalsContact C-N 3.3Å; S193-E195 PolarHBondContact O-N 2.86Å; E195-Q198 PolarHBondContact O-N 3.49Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.25Å
196F86.8Confident85.4Confident71 Ų71103 Ų10331%0.31148%0.483SS..Hα-helixtrans-66.8-42.4178.5-179.9-91.4000111.1R190 I191 S193 Y194 K199 K200R190-F196 WeakPolarHBondContact O-CB 3.49Å; R190-F196 WeakPolarHBondContact O-CG 3.44Å; I191-F196 HydrophobicContact CB-CD1 4.39Å; I191-F196 HydrophobicContact CB-CE1 4.21Å; I191-F196 HydrophobicContact CG1-CE1 4.04Å; I191-F196 HydrophobicContact CG1-CZ 4.06Å; I191-F196 HydrophobicContact CG2-CD1 4.47Å; I191-F196 HydrophobicContact CG2-CE1 4.07Å; I191-F196 WeakPolarHBondContact O-CD1 3.43Å; S193-F196 PolarHBondContact O-N 3.02Å; S193-F196 PolarHBondContact OG-N 3.2Å; S193-F196 VanDerWaalsContact OG-N 3.14Å; Y194-F196 PolarHBondContact O-N 3.41Å; F196-K199 PolarHBondContact O-N 3.1Å; F196-K200 WeakPolarHBondContact O-CB 3.26Å; F196-K200 PolarHBondContact O-N 3.14Å
197L83.2Confident86.1Confident89 Ų89105.1 Ų105.147%0.46649%0.488SS..Hα-helixtrans-65.2-43.6176.8-172.561.8000111.3S193 Y194 K200 Q201S193-L197 PolarHBondContact O-N 3.23Å; Y194-L197 PolarHBondContact O-N 3.47Å; L197-K200 PolarHBondContact O-N 3.35Å; L197-Q201 WeakPolarHBondContact O-CB 3.4Å; L197-Q201 VanDerWaalsContact O-CG 3.25Å; L197-Q201 WeakPolarHBondContact O-CG 3.11Å; L197-Q201 PolarHBondContact O-N 2.83Å
198Q84.8Confident86.8Confident98 Ų98105.3 Ų105.346%0.45850%0.495SS..Hα-helixtrans-63.1-41.5176.5-171.1-176.818.900111.6Y194 E195 Q201 A202Y194-Q198 HydrophobicContact CE1-CB 4.36Å; Y194-Q198 VanDerWaalsContact CE1-OE1 3.28Å; Y194-Q198 VanDerWaalsContact O-CB 3.24Å; Y194-Q198 WeakPolarHBondContact O-CB 3.45Å; Y194-Q198 PolarHBondContact O-N 3.3Å; E195-Q198 PolarHBondContact O-N 3.49Å; Q198-Q201 WeakPolarHBondContact O-CB 3.5Å; Q198-Q201 PolarHBondContact O-N 3.19Å; Q198-A202 PolarHBondContact O-N 2.92Å
199K87.4Confident87.4Confident141 Ų141104.6 Ų104.661%0.61349%0.494SS*.Hα-helixtrans-63.3-46.8174.2-176.8169.7178.7170.70111.6E195 F196 Q201 A202 E203E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.25Å; F196-K199 PolarHBondContact O-N 3.1Å; K199-Q201 PolarHBondContact O-N 2.93Å; K199-A202 WeakPolarHBondContact O-CA 3.47Å; K199-A202 WeakPolarHBondContact O-CB 3.31Å; K199-A202 PolarHBondContact O-N 3.28Å; K199-E203 WeakPolarHBondContact O-CG 3.45Å; K199-E203 PolarHBondContact O-N 2.98Å
200K85.2Confident87.9Confident126 Ų126103.1 Ų103.155%0.54850%0.495SS..Hα-helixtrans-61.6-31.4174.7-171.7-179.4176.9-173.20112.7F196 L197F196-K200 WeakPolarHBondContact O-CB 3.26Å; F196-K200 PolarHBondContact O-N 3.14Å; L197-K200 PolarHBondContact O-N 3.35Å
201Q83.3Confident88.4Confident69 Ų69101.4 Ų101.432%0.32249%0.489SS..Hα-helixtrans-71.9-32.1171.9-74.5177.49.100112.7K51 Q54 L197 Q198 K199K51-Q201 PolarHBondContact NZ-O 3.08Å; Q54-Q201 HydrophobicContact CG-CG 4.47Å; Q54-Q201 PolarHBondContact NE2-O 3.5Å; Q54-Q201 VanDerWaalsContact OE1-CG 3.27Å; Q54-Q201 PolarHBondContact OE1-O 3.06Å; L197-Q201 WeakPolarHBondContact O-CB 3.4Å; L197-Q201 VanDerWaalsContact O-CG 3.25Å; L197-Q201 WeakPolarHBondContact O-CG 3.11Å; L197-Q201 PolarHBondContact O-N 2.83Å; Q198-Q201 WeakPolarHBondContact O-CB 3.5Å; Q198-Q201 PolarHBondContact O-N 3.19Å; K199-Q201 PolarHBondContact O-N 2.93Å
202A85.9Confident89Confident70 Ų7099.7 Ų99.758%0.57948%0.479SS*.Hα-helixtrans-72.6-34.117500000112.8Q198 K199 E204Q198-A202 PolarHBondContact O-N 2.92Å; K199-A202 WeakPolarHBondContact O-CA 3.47Å; K199-A202 WeakPolarHBondContact O-CB 3.31Å; K199-A202 PolarHBondContact O-N 3.28Å; A202-E204 PolarHBondContact O-N 2.86Å
203E89.6Confident89.3Confident133 Ų13393.2 Ų93.262%0.62145%0.454SS*.SBendtrans-59.5-24.3179.9-76165-171.900114.8K199K199-E203 WeakPolarHBondContact O-CG 3.45Å; K199-E203 PolarHBondContact O-N 2.98Å
204E91.9Very high89.2Confident23 Ų2394.6 Ų94.611%0.10747%0.468CS..SBendtrans-82.2124.5173.2-175.4176.5-170.900110.9K51 P52 K53 Q54 A202K51-E204 HydrophobicContact CB-CG 4.22Å; K51-E204 HydrophobicContact CD-CB 4.23Å; K51-E204 HydrophobicContact CD-CG 4.37Å; K51-E204 WeakPolarHBondContact CD-O 3.45Å; K51-E204 WeakPolarHBondContact CE-O 3.37Å; K51-E204 PolarHBondContact NZ-O 2.83Å; P52-E204 VanDerWaalsContact CD-OE1 3.24Å; P52-E204 WeakPolarHBondContact CD-OE1 3.39Å; K53-E204 VanDerWaalsContact CB-OE1 3.3Å; K53-E204 WeakPolarHBondContact CB-OE1 3.38Å; K53-E204 WeakPolarHBondContact CG-OE1 3.37Å; K53-E204 PolarHBondContact N-OE1 2.92Å; Q54-E204 WeakPolarHBondContact CG-OE2 3.18Å; Q54-E204 PolarHBondContact N-OE2 3.21Å; Q54-E204 VanDerWaalsContact NE2-CB 3.34Å; Q54-E204 PolarHBondContact NE2-OE2 2.56Å; A202-E204 PolarHBondContact O-N 2.86Å
205P92.9Very high89.2Confident100 Ų10093.6 Ų93.665%0.64947%0.467SS*.PPolyproline II helixtrans-71155.1179.829.9-35.6000112.4
206W93.7Very high89.4Confident72 Ų7288.9 Ų88.927%0.27345%0.447SS..PPolyproline II helixtrans-79.2125.3171.5-73.5110.8000111.3K49 K51 R56 E58 H208K49-W206 HydrophobicContact CB-CD2 4.24Å; K49-W206 HydrophobicContact CB-CE3 3.65Å; K49-W206 HydrophobicContact CB-CZ3 4.15Å; K49-W206 WeakPolarHBondContact O-CZ3 3.49Å; K51-W206 HydrophobicContact CD-CD2 4.4Å; K51-W206 VanDerWaalsContact CE-CE2 3.46Å; K51-W206 HydrophobicContact CG-CD2 3.88Å; K51-W206 HydrophobicContact CG-CE3 3.61Å; K51-W206 HydrophobicContact CG-CH2 4.41Å; K51-W206 HydrophobicContact CG-CZ3 3.9Å; R56-W206 HydrophobicContact CG-CH2 4.07Å; E58-W206 HydrophobicContact CB-CH2 3.81Å; E58-W206 HydrophobicContact CB-CZ3 3.99Å; W206-H208 PolarHBondContact O-CE1 3.03Å
207I95.3Very high89.7Confident81 Ų8190.1 Ų90.142%0.41546%0.464SS..EExtended strand (participates in β ladder)trans-92.3122.4170.6-55.6179.5000108K49 I50 P52 L209K49-I207 CarbonylContact C-O 3.58Å; K49-I207 VanDerWaalsContact CA-O 3.3Å; K49-I207 WeakPolarHBondContact CA-O 3.39Å; I50-I207 HydrophobicContact CG2-CB 4.03Å; I50-I207 PolarHBondContact N-O 3.48Å; I50-I207 PolarHBondContact O-N 3.01Å; P52-I207 HydrophobicContact CG-CD1 3.85Å; I207-L209 HydrophobicContact CG2-CD2 4.36Å
208H95.2Very high90.1Very high152 Ų15292.1 Ų92.170%0.70447%0.465SS*.EExtended strand (participates in β ladder)trans-80.3139.3176.4-67.872000110.2W206W206-H208 PolarHBondContact O-CE1 3.03Å
209L94Very high90.5Very high80 Ų8088.9 Ų88.942%0.41945%0.453SS..EExtended strand (participates in β ladder)trans-121144.7-178.2-58.2179000110.5A48 I50 L57 I207A48-L209 HydrophobicContact CB-CB 4.02Å; A48-L209 PolarHBondContact O-N 3.3Å; I50-L209 HydrophobicContact CB-CD1 4Å; I50-L209 HydrophobicContact CG2-CD1 3.78Å; I50-L209 HydrophobicContact CG2-CD2 4.09Å; I50-L209 HydrophobicContact CG2-CG 4Å; L57-L209 HydrophobicContact CD1-CD1 4.34Å; I207-L209 HydrophobicContact CG2-CD2 4.36Å
210Q93.3Very high90.6Very high146 Ų14686.2 Ų86.268%0.68245%0.446SS*.  trans-82.6122.7167.2-172.2176.88.700108.9H212Q210-H212 VanDerWaalsContact CD-NE2 3.28Å; Q210-H212 WeakPolarHBondContact CG-NE2 3.39Å; Q210-H212 PolarHBondContact OE1-NE2 2.79Å
211Y92.1Very high90.9Very high87 Ų8784.5 Ų84.534%0.34144%0.44SS..  trans-78.9137.3173.9177.5-91.9000110.8H45H45-Y211 HydrophobicContact CB-CD1 3.58Å; H45-Y211 HydrophobicContact CB-CD2 4.17Å; H45-Y211 HydrophobicContact CB-CE1 4.02Å; H45-Y211 HydrophobicContact CB-CG 3.66Å; H45-Y211 AromaticContact CD2-CD2 3.53Å; H45-Y211 AromaticContact CD2-CE2 3.37Å; H45-Y211 WeakPolarHBondContact CD2-CE2 3.22Å; H45-Y211 AromaticContact CD2-CG 3.95Å; H45-Y211 AromaticContact CD2-CZ 3.65Å; H45-Y211 AromaticContact CE1-CE1 3.98Å; H45-Y211 AromaticContact CE1-CE2 3.95Å; H45-Y211 AromaticContact CE1-CZ 3.52Å; H45-Y211 PolarHBondContact CE1-OH 2.81Å; H45-Y211 AromaticContact CG-CD1 3.73Å; H45-Y211 AromaticContact CG-CD2 3.92Å; H45-Y211 AromaticContact CG-CE1 3.66Å; H45-Y211 AromaticContact CG-CE2 3.86Å; H45-Y211 AromaticContact CG-CG 3.85Å; H45-Y211 AromaticContact CG-CZ 3.73Å; H45-Y211 AromaticContact ND1-CE1 3.62Å; H45-Y211 AromaticContact ND1-CZ 3.64Å; H45-Y211 AromaticContact NE2-CE2 3.46Å; H45-Y211 WeakPolarHBondContact NE2-CE2 3.24Å; H45-Y211 AromaticContact NE2-CZ 3.54Å
212H92.2Very high91.3Very high46 Ų4685.8 Ų85.821%0.21345%0.446CS..  trans-125.8132171.1-69.9-87000108.8Q210 D216 R218Q210-H212 VanDerWaalsContact CD-NE2 3.28Å; Q210-H212 WeakPolarHBondContact CG-NE2 3.39Å; Q210-H212 PolarHBondContact OE1-NE2 2.79Å; H212-D216 IonicContact CE1-OD2 3.43Å; H212-D216 IonicContact CG-OD2 2.68Å; H212-D216 IonicContact ND1-OD2 3.63Å; H212-D216 PolarHBondContact ND1-OD2 3.05Å; H212-R218 PolarHBondContact CE1-NH1 3.32Å; H212-R218 VanDerWaalsContact CE1-NH1 3.31Å; H212-R218 PolarHBondContact NE2-NH1 2.94Å
213G88.8Confident91.6Very high20 Ų2087.5 Ų87.521%0.20644%0.44CS..  trans-76.9163.6-175.500000113.1K215 D216 S219G213-K215 PolarHBondContact O-N 3.36Å; G213-K215 VanDerWaalsContact O-N 3.07Å; G213-D216 WeakPolarHBondContact O-CB 3.13Å; G213-D216 PolarHBondContact O-N 2.83Å; G213-D216 VanDerWaalsContact O-N 3.07Å; G213-S219 WeakPolarHBondContact O-CB 3.41Å; G213-S219 PolarHBondContact O-OG 3.11Å
214A86Confident91.6Very high65 Ų6586 Ų8654%0.53743%0.433SS..THydrogen-bonded Turntrans-61.3-18178.600000114.3
215K85.5Confident91.6Very high148 Ų14888.8 Ų88.864%0.64344%0.443SS*.THydrogen-bonded Turntrans-100.36.4179.9-54.7170.5-170.8170.80113.2D42 G213D42-K215 IonicContact OD1-NZ 3.56Å; D42-K215 PolarHBondContact OD1-NZ 3.36Å; D42-K215 IonicContact OD2-NZ 2.68Å; G213-K215 PolarHBondContact O-N 3.36Å; G213-K215 VanDerWaalsContact O-N 3.07Å
216D91.1Very high91.4Very high50 Ų5085.3 Ų85.327%0.26742%0.419SS..SBendtrans-87.4136.6179.6-172.9-8.8000111.7H212 G213 R218 S219 D220H212-D216 IonicContact CE1-OD2 3.43Å; H212-D216 IonicContact CG-OD2 2.68Å; H212-D216 IonicContact ND1-OD2 3.63Å; H212-D216 PolarHBondContact ND1-OD2 3.05Å; G213-D216 WeakPolarHBondContact O-CB 3.13Å; G213-D216 PolarHBondContact O-N 2.83Å; G213-D216 VanDerWaalsContact O-N 3.07Å; D216-R218 PolarHBondContact O-N 3.49Å; D216-R218 VanDerWaalsContact O-N 3.12Å; D216-R218 PolarHBondContact OD1-N 3.02Å; D216-R218 VanDerWaalsContact OD1-N 3.11Å; D216-S219 WeakPolarHBondContact O-CA 3.45Å; D216-S219 VanDerWaalsContact O-CB 3.3Å; D216-S219 WeakPolarHBondContact O-CB 3.47Å; D216-S219 PolarHBondContact O-N 3.04Å; D216-D220 PolarHBondContact O-N 3.38Å; D216-D220 VanDerWaalsContact O-N 3.1Å
217S92.6Very high91.2Very high97 Ų9784.1 Ų84.168%0.67841%0.414SS*.Hα-helixtrans-40.5-39.5166.762.50000115.3H221S217-H221 PolarHBondContact O-N 3.14Å
218R92.1Very high90.6Very high131 Ų13181.4 Ų81.449%0.49440%0.403SS..Hα-helixtrans-65.6-42.2176.6178.1172-76.2178.6-7.1111.5H212 D216 H221 E222H212-R218 PolarHBondContact CE1-NH1 3.32Å; H212-R218 VanDerWaalsContact CE1-NH1 3.31Å; H212-R218 PolarHBondContact NE2-NH1 2.94Å; D216-R218 PolarHBondContact O-N 3.49Å; D216-R218 VanDerWaalsContact O-N 3.12Å; D216-R218 PolarHBondContact OD1-N 3.02Å; D216-R218 VanDerWaalsContact OD1-N 3.11Å; R218-H221 PolarHBondContact O-N 3.35Å; R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 PolarHBondContact O-N 3.48Å
219S91.8Very high89.6Confident29 Ų2981 Ų8120%0.20340%0.401CS..Hα-helixtrans-66.6-42.1179.3-51.70000111.4G213 D216 H221 E222 K223G213-S219 WeakPolarHBondContact O-CB 3.41Å; G213-S219 PolarHBondContact O-OG 3.11Å; D216-S219 WeakPolarHBondContact O-CA 3.45Å; D216-S219 VanDerWaalsContact O-CB 3.3Å; D216-S219 WeakPolarHBondContact O-CB 3.47Å; D216-S219 PolarHBondContact O-N 3.04Å; S219-H221 VanDerWaalsContact C-N 3.35Å; S219-E222 PolarHBondContact O-N 3.45Å; S219-K223 VanDerWaalsContact O-CB 3.24Å; S219-K223 WeakPolarHBondContact O-CB 3.43Å; S219-K223 PolarHBondContact O-N 3.39Å
220D89.8Confident88.2Confident85 Ų8580.9 Ų80.946%0.45541%0.407SS..Hα-helixtrans-68-31.1175.4-91.6-33.4000113.1D216 K223D216-D220 PolarHBondContact O-N 3.38Å; D216-D220 VanDerWaalsContact O-N 3.1Å; D220-K223 IonicContact OD1-NZ 3.6Å
221H92.2Very high86.6Confident91 Ų9178.2 Ų78.242%0.42140%0.401SS..Hα-helixtrans-71.8-46170.5177.554.2000112S217 R218 S219 K223 Q224 Y225S217-H221 PolarHBondContact O-N 3.14Å; R218-H221 PolarHBondContact O-N 3.35Å; S219-H221 VanDerWaalsContact C-N 3.35Å; H221-K223 VanDerWaalsContact C-N 3.27Å; H221-K223 PolarHBondContact O-N 3.09Å; H221-Q224 PolarHBondContact ND1-OE1 3.44Å; H221-Q224 VanDerWaalsContact ND1-OE1 3.16Å; H221-Q224 WeakPolarHBondContact O-CB 3.19Å; H221-Q224 WeakPolarHBondContact O-CG 3.46Å; H221-Q224 PolarHBondContact O-N 3.33Å; H221-Y225 PolarHBondContact CE1-OH 2.67Å; H221-Y225 VanDerWaalsContact CE1-OH 3.31Å; H221-Y225 AromaticContact NE2-CE2 3.92Å; H221-Y225 AromaticContact NE2-CZ 3.82Å; H221-Y225 PolarHBondContact NE2-OH 2.93Å
222E91.9Very high85Confident96 Ų9680.5 Ų80.545%0.44942%0.418SS..Hα-helixtrans-65.3-32.1-179.4-172.2160.2-150.700112.4R218 S219 Q224 Y225R218-E222 WeakPolarHBondContact O-CB 3.45Å; R218-E222 PolarHBondContact O-N 3.48Å; S219-E222 PolarHBondContact O-N 3.45Å; E222-Q224 PolarHBondContact O-N 3.06Å; E222-Q224 VanDerWaalsContact O-N 3.1Å; E222-Y225 HydrophobicContact CG-CD2 4.33Å; E222-Y225 WeakPolarHBondContact O-CD2 3.4Å; E222-Y225 PolarHBondContact O-N 3.17Å
223K90.9Very high83.2Confident105 Ų10583.1 Ų83.146%0.45745%0.448SS..G310 helixtrans-57-20.4169.5-173.2178.2-177.7-179.80113.6S219 D220 H221 Y225 L226S219-K223 VanDerWaalsContact O-CB 3.24Å; S219-K223 WeakPolarHBondContact O-CB 3.43Å; S219-K223 PolarHBondContact O-N 3.39Å; D220-K223 IonicContact OD1-NZ 3.6Å; H221-K223 VanDerWaalsContact C-N 3.27Å; H221-K223 PolarHBondContact O-N 3.09Å; K223-Y225 VanDerWaalsContact C-N 3.27Å; K223-Y225 PolarHBondContact O-N 3.19Å; K223-L226 HydrophobicContact CG-CD1 4.28Å; K223-L226 PolarHBondContact O-N 3.46Å
224Q90.5Very high81.6Confident102 Ų10286.7 Ų86.748%0.47747%0.47SS..G310 helixtrans-70-21.8175.8-59.5173-3.300112.7H221 E222 L226 Y227H221-Q224 PolarHBondContact ND1-OE1 3.44Å; H221-Q224 VanDerWaalsContact ND1-OE1 3.16Å; H221-Q224 WeakPolarHBondContact O-CB 3.19Å; H221-Q224 WeakPolarHBondContact O-CG 3.46Å; H221-Q224 PolarHBondContact O-N 3.33Å; E222-Q224 PolarHBondContact O-N 3.06Å; E222-Q224 VanDerWaalsContact O-N 3.1Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 3.26Å; Q224-Y227 PolarHBondContact O-N 2.86Å
225Y90.9Very high80.2Confident82 Ų8292.7 Ų92.732%0.32249%0.487SS..G310 helixtrans-80.3-6.8177.6-57-67.7000113.8S19 S21 H221 E222 K223 Y227S19-Y225 PolarHBondContact OG-O 2.87Å; S21-Y225 WeakPolarHBondContact CB-O 3.47Å; H221-Y225 PolarHBondContact CE1-OH 2.67Å; H221-Y225 VanDerWaalsContact CE1-OH 3.31Å; H221-Y225 AromaticContact NE2-CE2 3.92Å; H221-Y225 AromaticContact NE2-CZ 3.82Å; H221-Y225 PolarHBondContact NE2-OH 2.93Å; E222-Y225 HydrophobicContact CG-CD2 4.33Å; E222-Y225 WeakPolarHBondContact O-CD2 3.4Å; E222-Y225 PolarHBondContact O-N 3.17Å; K223-Y225 VanDerWaalsContact C-N 3.27Å; K223-Y225 PolarHBondContact O-N 3.19Å; Y225-Y227 VanDerWaalsContact C-N 3.35Å
226L90.5Very high79.4Confident26 Ų2690.2 Ų90.214%0.13648%0.481CS..G310 helixtrans-74.3-25.2171.1-65.9170.8000112.6S19 L22 L26 V119 T128 K223 Q224S19-L226 WeakPolarHBondContact CB-O 3.15Å; L22-L226 HydrophobicContact CD1-CD2 3.83Å; L22-L226 HydrophobicContact CD1-CG 4.06Å; L26-L226 HydrophobicContact CD1-CD2 4.28Å; L26-L226 HydrophobicContact CD2-CD2 3.76Å; V119-L226 HydrophobicContact CG2-CB 4.02Å; V119-L226 HydrophobicContact CG2-CD1 3.93Å; T128-L226 HydrophobicContact CG2-CD2 4.17Å; T128-L226 PolarHBondContact OG1-O 3.48Å; K223-L226 HydrophobicContact CG-CD1 4.28Å; K223-L226 PolarHBondContact O-N 3.46Å; Q224-L226 VanDerWaalsContact C-N 3.3Å; Q224-L226 PolarHBondContact O-N 3.26Å
227Y89.5Confident78.6Confident47 Ų4792.1 Ų92.118%0.18450%0.498CS..SBendtrans-77.3148.6172.9-54.6-84.1000110.1V119 R121 H126 Q224 Y225V119-Y227 HydrophobicContact CG1-CE1 3.81Å; R121-Y227 HydrophobicContact CB-CE1 4.17Å; R121-Y227 VanDerWaalsContact CD-CE1 3.47Å; R121-Y227 HydrophobicContact CG-CE1 4.48Å; H126-Y227 AromaticContact CD2-CD1 3.47Å; H126-Y227 VanDerWaalsContact CD2-CD1 3.47Å; H126-Y227 WeakPolarHBondContact CD2-CD1 3.32Å; Q224-Y227 PolarHBondContact O-N 2.86Å; Y225-Y227 VanDerWaalsContact C-N 3.35Å
228C82.7Confident77.9Confident25 Ų2594 Ų9417%0.16950%0.496CS..  trans-74.9132.3170-165.30000109.2H126 S230H126-C228 WeakPolarHBondContact CE1-CB 3.43Å; H126-C228 PolarHBondContact CE1-N 2.91Å; H126-C228 PolarHBondContact ND1-N 2.91Å; C228-S230 PolarHBondContact SG-O 3.4Å
229Q72.9Confident77.5Confident143 Ų14394.3 Ų94.367%0.66851%0.507SS*.SBendtrans-95-13.5-179.7-65-172.3-4.300113.5
230S64.6Low77.3Confident77 Ų7798.1 Ų98.154%0.53853%0.529SS..  trans-110.2113.1174.953.50000109.7C228 D232C228-S230 PolarHBondContact SG-O 3.4Å; S230-D232 VanDerWaalsContact C-N 3.35Å
231V60.9Low77.3Confident91 Ų9199.2 Ų99.255%0.55253%0.53SS*.  trans-103.743.4176.9-159.40000109.9Y17 A233Y17-V231 HydrophobicContact CE1-CG1 4.36Å; V231-A233 PolarHBondContact O-N 2.97Å
232D57.3Low77.2Confident134 Ų13498.1 Ų98.172%0.71753%0.529SS*.  trans-70.897171.2-74.3-48.2000108.4S230 S234S230-D232 VanDerWaalsContact C-N 3.35Å; D232-S234 PolarHBondContact O-N 3.34Å; D232-S234 PolarHBondContact O-OG 3.23Å
233A54.1Low77.2Confident102 Ų10298.8 Ų98.884%0.84354%0.542SS*.  trans-68.124.7175.700000113.5V231 Q235V231-A233 PolarHBondContact O-N 2.97Å; A233-Q235 PolarHBondContact O-N 2.97Å
234S55.8Low77Confident95 Ų95102.2 Ų102.266%0.66456%0.557SS**  trans-65.6122.3170.354.70000109.8D232 N236D232-S234 PolarHBondContact O-N 3.34Å; D232-S234 PolarHBondContact O-OG 3.23Å; S234-N236 PolarHBondContact O-N 3Å
235Q57.5Low77Confident190 Ų190102.4 Ų102.489%0.88856%0.558SS**  trans-40.6130.2-178.2-64170.4-10.300113A233 S237A233-Q235 PolarHBondContact O-N 2.97Å; Q235-S237 PolarHBondContact O-N 3.01Å
236N67.8Low77Confident97 Ų97104.8 Ų104.852%0.51957%0.567SS.*  trans-60.3105.9-175.4-176.5-26000112S234 E238 L239 V240S234-N236 PolarHBondContact O-N 3Å; N236-E238 VanDerWaalsContact C-N 3.26Å; N236-E238 PolarHBondContact O-N 3.38Å; N236-E238 PolarHBondContact OD1-N 3.37Å; N236-E238 VanDerWaalsContact OD1-N 3.07Å; N236-L239 WeakPolarHBondContact ND2-CD1 3.45Å; N236-L239 PolarHBondContact OD1-N 3.09Å; N236-V240 WeakPolarHBondContact O-CG2 3.34Å
237S74.8Confident77Confident90 Ų90108.8 Ų108.863%0.62959%0.588SS**SBendtrans-68.9-17.7-176.658.80000114.9Q235 V240Q235-S237 PolarHBondContact O-N 3.01Å; S237-V240 WeakPolarHBondContact O-CG2 3.44Å
238E78.5Confident77Confident137 Ų137109.1 Ų109.164%0.6460%0.6SS**SBendtrans-98.2-27.5-169.5-55.3-52.8120.300113.1N236N236-E238 VanDerWaalsContact C-N 3.26Å; N236-E238 PolarHBondContact O-N 3.38Å; N236-E238 PolarHBondContact OD1-N 3.37Å; N236-E238 VanDerWaalsContact OD1-N 3.07Å
239L83.3Confident77.2Confident136 Ų136113.3 Ų113.371%0.71262%0.619SS**  trans-9928.9-174.9-58.7-171.4000113.6N236 K241N236-L239 WeakPolarHBondContact ND2-CD1 3.45Å; N236-L239 PolarHBondContact OD1-N 3.09Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 3.01Å
240V87.7Confident78Confident110 Ų110111.5 Ų111.567%0.66761%0.613SS**  trans-85.16.5-174.8-159.80000113.5N236 S237N236-V240 WeakPolarHBondContact O-CG2 3.34Å; S237-V240 WeakPolarHBondContact O-CG2 3.44Å
241K88.1Confident79Confident108 Ų108114.6 Ų114.647%0.4762%0.621SS.*  trans-72.6137.3-176.2-68.2167.1-173.3158.10111.5L239 M249L239-K241 VanDerWaalsContact C-N 3.29Å; L239-K241 PolarHBondContact O-N 3.01Å; K241-M249 HydrophobicContact CD-CE 4.26Å; K241-M249 HydrophobicContact CD-SD 4.22Å; K241-M249 PolarHBondContact NZ-SD 3Å; K241-M249 VanDerWaalsContact NZ-SD 3.42Å
242T91.8Very high80.1Confident67 Ų67114.6 Ų114.641%0.41162%0.623SS.*  trans-68.6157174.367.80000111.4K244 E245 Y246T242-K244 PolarHBondContact O-N 2.73Å; T242-E245 VanDerWaalsContact CB-OE2 3.26Å; T242-E245 WeakPolarHBondContact CB-OE2 3.4Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.18Å; T242-E245 PolarHBondContact N-OE2 3.01Å; T242-E245 PolarHBondContact O-N 3.3Å; T242-E245 VanDerWaalsContact OG1-CD 3.23Å; T242-E245 WeakPolarHBondContact OG1-CG 3.48Å; T242-E245 PolarHBondContact OG1-N 3.38Å; T242-E245 PolarHBondContact OG1-OE2 3.29Å; T242-Y246 PolarHBondContact O-N 2.67Å
243P92.1Very high80.9Confident110 Ų110113.6 Ų113.671%0.71462%0.623SS**Hα-helixtrans-55.8-28.7177.7-28.736000114.5L247P243-L247 VanDerWaalsContact O-CB 3.29Å; P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 2.68Å
244K86.8Confident81.8Confident177 Ų177116.7 Ų116.777%0.7763%0.625SS**Hα-helixtrans-72.8-42.5177.1-67.1-179.5-178.6174.50112.1T242 A248T242-K244 PolarHBondContact O-N 2.73Å; K244-A248 WeakPolarHBondContact O-CB 3.06Å; K244-A248 PolarHBondContact O-N 3.36Å
245E89.8Confident82Confident107 Ų107116.5 Ų116.550%0.563%0.629SS.*Hα-helixtrans-70.4-38177.2-66.7158.7140.300111.1T242 A248 M249T242-E245 VanDerWaalsContact CB-OE2 3.26Å; T242-E245 WeakPolarHBondContact CB-OE2 3.4Å; T242-E245 WeakPolarHBondContact CG2-OE2 3.18Å; T242-E245 PolarHBondContact N-OE2 3.01Å; T242-E245 PolarHBondContact O-N 3.3Å; T242-E245 VanDerWaalsContact OG1-CD 3.23Å; T242-E245 WeakPolarHBondContact OG1-CG 3.48Å; T242-E245 PolarHBondContact OG1-N 3.38Å; T242-E245 PolarHBondContact OG1-OE2 3.29Å; E245-A248 PolarHBondContact O-N 2.79Å; E245-M249 WeakPolarHBondContact O-CB 3.4Å; E245-M249 PolarHBondContact O-N 3.35Å
246Y90.8Very high81.7Confident132 Ų132116.1 Ų116.152%0.51863%0.627SS.*Hα-helixtrans-64-45173.7-176-120.4000111.8T242 A248 M249 L250T242-Y246 PolarHBondContact O-N 2.67Å; Y246-A248 PolarHBondContact O-N 3.18Å; Y246-M249 WeakPolarHBondContact O-CB 3.47Å; Y246-M249 PolarHBondContact O-N 2.98Å; Y246-M249 VanDerWaalsContact O-N 3.09Å; Y246-L250 HydrophobicContact CD1-CD1 4.1Å; Y246-L250 HydrophobicContact CE1-CD1 3.63Å; Y246-L250 HydrophobicContact CE1-CG 4.32Å; Y246-L250 HydrophobicContact CE2-CD1 4.39Å; Y246-L250 HydrophobicContact CE2-CD2 4.27Å; Y246-L250 HydrophobicContact CE2-CG 4.22Å; Y246-L250 WeakPolarHBondContact O-CG 3.38Å; Y246-L250 PolarHBondContact O-N 3.04Å
247L90.2Very high80.7Confident109 Ų109119 Ų11957%0.57164%0.638SS**Hα-helixtrans-60.5-43.3173.9-179.260.4000112P243 M249 L250 M251P243-L247 VanDerWaalsContact O-CB 3.29Å; P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 2.68Å; L247-M249 PolarHBondContact O-N 3.44Å; L247-L250 PolarHBondContact O-N 2.72Å; L247-M251 HydrophobicContact CD1-CG 4.42Å; L247-M251 WeakPolarHBondContact O-CB 3.36Å; L247-M251 PolarHBondContact O-N 2.93Å
248A88.7Confident79.3Confident54 Ų54124.6 Ų124.645%0.44665%0.651SS.*Hα-helixtrans-67.9-19.3175.600000113.8K244 E245 Y246 M251 P252K244-A248 WeakPolarHBondContact O-CB 3.06Å; K244-A248 PolarHBondContact O-N 3.36Å; E245-A248 PolarHBondContact O-N 2.79Å; Y246-A248 PolarHBondContact O-N 3.18Å; A248-M251 CarbonylContact O-C 3.59Å; A248-P252 VanDerWaalsContact O-CA 3.32Å; A248-P252 WeakPolarHBondContact O-CA 3.48Å
249M88.9Confident77.7Confident113 Ų113124.8 Ų124.856%0.55765%0.654SS**Hα-helixtrans-84.1-35.2173.5-175.8165.7-71.800112.3K241 E245 Y246 L247K241-M249 HydrophobicContact CD-CE 4.26Å; K241-M249 HydrophobicContact CD-SD 4.22Å; K241-M249 PolarHBondContact NZ-SD 3Å; K241-M249 VanDerWaalsContact NZ-SD 3.42Å; E245-M249 WeakPolarHBondContact O-CB 3.4Å; E245-M249 PolarHBondContact O-N 3.35Å; Y246-M249 WeakPolarHBondContact O-CB 3.47Å; Y246-M249 PolarHBondContact O-N 2.98Å; Y246-M249 VanDerWaalsContact O-N 3.09Å; L247-M249 PolarHBondContact O-N 3.44Å
250L89Confident75.9Confident105 Ų105122.2 Ų122.255%0.5565%0.653SS.*Hα-helixtrans-73.2-37.3172.2-67.6177.7000112.4Y246 L247 P252Y246-L250 HydrophobicContact CD1-CD1 4.1Å; Y246-L250 HydrophobicContact CE1-CD1 3.63Å; Y246-L250 HydrophobicContact CE1-CG 4.32Å; Y246-L250 HydrophobicContact CE2-CD1 4.39Å; Y246-L250 HydrophobicContact CE2-CD2 4.27Å; Y246-L250 HydrophobicContact CE2-CG 4.22Å; Y246-L250 WeakPolarHBondContact O-CG 3.38Å; Y246-L250 PolarHBondContact O-N 3.04Å; L247-L250 PolarHBondContact O-N 2.72Å; L250-P252 VanDerWaalsContact C-CD 3.42Å; L250-P252 VanDerWaalsContact O-CD 3.3Å; L250-P252 WeakPolarHBondContact O-CD 3.37Å
251M86.1Confident73.9Confident142 Ų142126 Ų12670%0.766%0.661SS**SBendtrans-116.871.9178.3-69-78.9-73.500108.7L247 A248L247-M251 HydrophobicContact CD1-CG 4.42Å; L247-M251 WeakPolarHBondContact O-CB 3.36Å; L247-M251 PolarHBondContact O-N 2.93Å; A248-M251 CarbonylContact O-C 3.59Å
252P82.9Confident71.8Confident92 Ų92125.2 Ų125.260%0.59767%0.666SS**PPolyproline II helixtrans-56.8132.7176.925-34000109A248 L250 L254A248-P252 VanDerWaalsContact O-CA 3.32Å; A248-P252 WeakPolarHBondContact O-CA 3.48Å; L250-P252 VanDerWaalsContact C-CD 3.42Å; L250-P252 VanDerWaalsContact O-CD 3.3Å; L250-P252 WeakPolarHBondContact O-CD 3.37Å; P252-L254 PolarHBondContact O-N 3.49Å
253P74.6Confident69.4Low112 Ų112129.1 Ų129.173%0.72769%0.69SS**PPolyproline II helixtrans-58.1129.3178.124.4-32.9000108.5A255P253-A255 PolarHBondContact O-N 2.93Å
254L72.5Confident67.3Low168 Ų168125.9 Ų125.988%0.8868%0.677SS**PPolyproline II helixtrans-50.5120.2167.3-70.1171.5000106.8P252 E256P252-L254 PolarHBondContact O-N 3.49Å; L254-E256 PolarHBondContact O-N 2.96Å
255A60.3Low65.6Low90 Ų90122.2 Ų122.274%0.74467%0.671SS**PPolyproline II helixtrans-53.6128.3-177.400000108.5P253 E257P253-A255 PolarHBondContact O-N 2.93Å; A255-E257 PolarHBondContact O-N 3.46Å
256E51.3Low63.8Low183 Ų183122.3 Ų122.386%0.85568%0.684SS**  trans-69.378173.1-69.1-170.117800108.9L254 K258L254-E256 PolarHBondContact O-N 2.96Å; E256-K258 PolarHBondContact O-N 2.74Å
257E45.9Very low62.1Low157 Ų157119.8 Ų119.873%0.73468%0.679SS**  trans-42.8137.9142.2-73-160.8151.700107.2A255 I259A255-E257 PolarHBondContact O-N 3.46Å; E257-I259 HydrophobicContact CB-CG1 4.4Å; E257-I259 PolarHBondContact O-N 2.87Å
258K46.9Very low60.6Low208 Ų208120 Ų12090%0.90468%0.684SS**  trans-75.962.7-178.5-65.6174-177.5171.10109.7E256 A260E256-K258 PolarHBondContact O-N 2.74Å; K258-A260 PolarHBondContact O-N 2.96Å
259I43.3Very low59.5Low140 Ų140121 Ų12172%0.71868%0.682SS**  trans-49.3114172.1-64.4173000105.8E257 K261E257-I259 HydrophobicContact CB-CG1 4.4Å; E257-I259 PolarHBondContact O-N 2.87Å; I259-K261 PolarHBondContact O-N 3.38Å
260A46.3Very low58.9Low83 Ų83118.2 Ų118.269%0.68667%0.674SS**  trans-53.8132.4-174.100000109K258 P262K258-A260 PolarHBondContact O-N 2.96Å; A260-P262 VanDerWaalsContact O-N 3.08Å
261K46.3Very low58.4Low190 Ų190116.7 Ų116.783%0.82667%0.665SS**  trans-37.4117.4-173.4-65.4178.5-179.8178.90109.7I259 V263I259-K261 PolarHBondContact O-N 3.38Å; K261-V263 PolarHBondContact O-N 3.38Å
262P42.5Very low57.9Low90 Ų90113.2 Ų113.258%0.58466%0.658SS**  trans-56.9127.6-16819.5-31.5000109.8A260 G264A260-P262 VanDerWaalsContact O-N 3.08Å; P262-G264 PolarHBondContact O-N 3.41Å
263V42.6Very low57.6Low149 Ų149112 Ų11290%0.90365%0.645SS**  trans-80.155.5-171.2-1660000110.5K261K261-V263 PolarHBondContact O-N 3.38Å
264G48Very low58Low43 Ų43106.9 Ų106.944%0.44361%0.611SS.*SBendtrans-72.3168.3159.500000110.8P262 S266P262-G264 PolarHBondContact O-N 3.41Å; G264-S266 PolarHBondContact O-N 2.6Å
265P49.9Very low58.5Low99 Ų99105.9 Ų105.964%0.64360%0.595SS**  trans-56.1128.7169.825.3-33.7000109.3N267 V268P265-N267 PolarHBondContact O-N 3.48Å; P265-V268 HydrophobicContact CG-CG2 4.21Å; P265-V268 PolarHBondContact O-N 2.98Å
266S52.4Low59.6Low110 Ų110107 Ų10777%0.76959%0.593SS**THydrogen-bonded Turntrans-65.510.5-164.355.80000116.7G264G264-S266 PolarHBondContact O-N 2.6Å
267N56.1Low61.2Low79 Ų79100.9 Ų100.942%0.42257%0.566SS.*THydrogen-bonded Turntrans-109.8-5.5174.6-54.7-45.9000112.5P265 K288 N289P265-N267 PolarHBondContact O-N 3.48Å; N267-K288 PolarHBondContact OD1-NZ 3.37Å; N267-N289 VanDerWaalsContact O-CG 3.29Å; N267-N289 PolarHBondContact O-ND2 3.35Å; N267-N289 PolarHBondContact O-OD1 3.19Å
268V58Low63.4Low112 Ų11297.9 Ų97.968%0.67956%0.56SS**  trans-111105.6-179.8-173.90000110.5P265P265-V268 HydrophobicContact CG-CG2 4.21Å; P265-V268 PolarHBondContact O-N 2.98Å
269L65.9Low65.6Low76 Ų7690.3 Ų90.340%0.39853%0.529SS..  trans-118.6137172.9-78.2163000109.2Q273 L277 T285L269-Q273 HydrophobicContact CD2-CB 4.12Å; L269-L277 HydrophobicContact CD1-CD1 4.19Å; L269-T285 HydrophobicContact CD1-CG2 3.87Å
270S75.6Confident67.9Low55 Ų5584.9 Ų84.939%0.38551%0.508SS..  trans-70.1155.8175.264.90000111.6A272 Q273 L274S270-A272 PolarHBondContact O-N 3.08Å; S270-A272 VanDerWaalsContact O-N 3.17Å; S270-Q273 PolarHBondContact O-N 3.22Å; S270-Q273 VanDerWaalsContact O-N 3.13Å; S270-Q273 WeakPolarHBondContact OG-CB 3.4Å; S270-Q273 VanDerWaalsContact OG-CG 3.3Å; S270-Q273 WeakPolarHBondContact OG-CG 3.34Å; S270-Q273 PolarHBondContact OG-N 2.96Å; S270-Q273 PolarHBondContact OG-OE1 3.21Å; S270-L274 WeakPolarHBondContact O-CB 3.27Å; S270-L274 PolarHBondContact O-N 2.67Å
271M78.6Confident70.1Confident73 Ų7384.9 Ų84.936%0.3649%0.494SS..Hα-helixtrans-61.5-23.1175.2-66.5-59.6-69.800113.3L274 R275 L301M271-L274 HydrophobicContact CE-CD2 4.11Å; M271-L274 HydrophobicContact SD-CD2 3.93Å; M271-R275 WeakPolarHBondContact O-CD 3.27Å; M271-R275 VanDerWaalsContact O-CG 3.29Å; M271-R275 WeakPolarHBondContact O-CG 3.44Å; M271-R275 PolarHBondContact O-N 2.8Å; M271-L301 HydrophobicContact CE-CB 4.17Å; M271-L301 HydrophobicContact CE-CD2 4.03Å; M271-L301 WeakPolarHBondContact CE-O 3.22Å
272A75.3Confident72.3Confident68 Ų6876.7 Ų76.756%0.56246%0.459SS*.Hα-helixtrans-70.6-51.2171.500000111.3S270 L274 R275S270-A272 PolarHBondContact O-N 3.08Å; S270-A272 VanDerWaalsContact O-N 3.17Å; A272-L274 VanDerWaalsContact C-N 3.31Å; A272-L274 PolarHBondContact O-N 3.49Å; A272-R275 PolarHBondContact O-N 2.85Å; A272-R275 VanDerWaalsContact O-N 3.16Å
273Q77.2Confident74.8Confident67 Ų6772.4 Ų72.431%0.31343%0.431SS..Hα-helixtrans-65.6-32176.5-69.6158.2-34.200112.7L269 S270 R275 T276L269-Q273 HydrophobicContact CD2-CB 4.12Å; S270-Q273 PolarHBondContact O-N 3.22Å; S270-Q273 VanDerWaalsContact O-N 3.13Å; S270-Q273 WeakPolarHBondContact OG-CB 3.4Å; S270-Q273 VanDerWaalsContact OG-CG 3.3Å; S270-Q273 WeakPolarHBondContact OG-CG 3.34Å; S270-Q273 PolarHBondContact OG-N 2.96Å; S270-Q273 PolarHBondContact OG-OE1 3.21Å; Q273-R275 VanDerWaalsContact C-N 3.28Å; Q273-R275 PolarHBondContact O-N 3.2Å; Q273-T276 PolarHBondContact O-N 2.95Å; Q273-T276 PolarHBondContact O-OG1 3.43Å
274L82.7Confident77.2Confident4 Ų469 Ų692%0.02140%0.403CS..Hα-helixtrans-59.6-43.3173.4-170.371.9000110.3S270 M271 A272 T276 L277 Q282 T285 L286S270-L274 WeakPolarHBondContact O-CB 3.27Å; S270-L274 PolarHBondContact O-N 2.67Å; M271-L274 HydrophobicContact CE-CD2 4.11Å; M271-L274 HydrophobicContact SD-CD2 3.93Å; A272-L274 VanDerWaalsContact C-N 3.31Å; A272-L274 PolarHBondContact O-N 3.49Å; L274-T276 PolarHBondContact O-N 3.33Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.03Å; L274-L277 VanDerWaalsContact O-N 3.1Å; L274-Q282 HydrophobicContact CD1-CB 4.2Å; L274-Q282 HydrophobicContact CD1-CG 4.42Å; L274-Q282 HydrophobicContact CG-CB 4.3Å; L274-Q282 HydrophobicContact CG-CG 4.27Å; L274-Q282 VanDerWaalsContact O-CD 3.27Å; L274-Q282 WeakPolarHBondContact O-CG 3.41Å; L274-Q282 PolarHBondContact O-NE2 2.9Å; L274-T285 HydrophobicContact CD1-CG2 3.85Å; L274-L286 HydrophobicContact CD2-CD1 4.04Å; L274-L286 HydrophobicContact CD2-CD2 3.83Å; L274-L286 HydrophobicContact CD2-CG 3.93Å
275R82.6Confident79.3Confident147 Ų14768 Ų6856%0.55539%0.389SS*.Hα-helixtrans-68.1-16.6-179.1-72.9167.8-177.9153.11.5114.4M271 A272 Q273M271-R275 WeakPolarHBondContact O-CD 3.27Å; M271-R275 VanDerWaalsContact O-CG 3.29Å; M271-R275 WeakPolarHBondContact O-CG 3.44Å; M271-R275 PolarHBondContact O-N 2.8Å; A272-R275 PolarHBondContact O-N 2.85Å; A272-R275 VanDerWaalsContact O-N 3.16Å; Q273-R275 VanDerWaalsContact C-N 3.28Å; Q273-R275 PolarHBondContact O-N 3.2Å
276T83.5Confident81.3Confident113 Ų11364 Ų6469%0.69336%0.362SS*.THydrogen-bonded Turntrans-87.4-8.1173.167.20000113.5Q273 L274Q273-T276 PolarHBondContact O-N 2.95Å; Q273-T276 PolarHBondContact O-OG1 3.43Å; L274-T276 PolarHBondContact O-N 3.33Å
277L85.9Confident83.3Confident55 Ų5558.8 Ų58.829%0.28833%0.326SS..SBendtrans-84.4152.1175.3-61.6177.6000112L269 L274 E281 Q282L269-L277 HydrophobicContact CD1-CD1 4.19Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.03Å; L274-L277 VanDerWaalsContact O-N 3.1Å; L277-E281 HydrophobicContact CB-CB 4.4Å; L277-Q282 HydrophobicContact CB-CG 4.05Å; L277-Q282 WeakPolarHBondContact O-CG 3.42Å; L277-Q282 PolarHBondContact O-NE2 3.5Å
278P91.8Very high85Confident94 Ų9458.4 Ų58.461%0.6132%0.32SS*.  trans-60.2146168.9-22.233.7000112.2G280 E281 Q282P278-G280 VanDerWaalsContact C-N 3.25Å; P278-G280 PolarHBondContact O-N 3.22Å; P278-E281 PolarHBondContact O-N 3.41Å; P278-Q282 PolarHBondContact O-N 2.8Å
279L92.6Very high86.5Confident49 Ų4956 Ų5626%0.25730%0.304SS..Hα-helixtrans-48.7-40.9-173.3-178.262.3000114.4E281 Q282 V283 L302 T306 V311L279-E281 PolarHBondContact O-N 3.16Å; L279-Q282 WeakPolarHBondContact O-CB 3.49Å; L279-Q282 PolarHBondContact O-N 3.02Å; L279-V283 HydrophobicContact CD1-CG2 4.28Å; L279-V283 WeakPolarHBondContact O-CG2 3.26Å; L279-V283 PolarHBondContact O-N 3.43Å; L279-L302 HydrophobicContact CD1-CD1 4.11Å; L279-L302 HydrophobicContact CD1-CD2 3.94Å; L279-T306 HydrophobicContact CD1-CG2 3.88Å; L279-T306 HydrophobicContact CD2-CG2 4.08Å; L279-V311 HydrophobicContact CD1-CG2 4.29Å; L279-V311 HydrophobicContact CD2-CG2 4.3Å
280G92.8Very high87.8Confident26 Ų2655.7 Ų55.727%0.26831%0.305SS..Hα-helixtrans-60.7-42.7177.200000113.2P278 K284P278-G280 VanDerWaalsContact C-N 3.25Å; P278-G280 PolarHBondContact O-N 3.22Å; G280-K284 WeakPolarHBondContact O-CB 3.41Å; G280-K284 PolarHBondContact O-N 3.37Å
281E91.4Very high88.7Confident83 Ų8355 Ų5539%0.38830%0.295SS..Hα-helixtrans-76.2-26.2176.7-65.4-62.1122.400112.4L277 P278 L279 K284 T285L277-E281 HydrophobicContact CB-CB 4.4Å; P278-E281 PolarHBondContact O-N 3.41Å; L279-E281 PolarHBondContact O-N 3.16Å; E281-K284 VanDerWaalsContact OE1-CD 3.28Å; E281-K284 WeakPolarHBondContact OE1-CD 3.29Å; E281-K284 IonicContact OE1-NZ 3.06Å; E281-K284 PolarHBondContact OE1-NZ 3.04Å; E281-K284 IonicContact OE2-NZ 3.65Å; E281-K284 PolarHBondContact OE2-NZ 3.33Å; E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 PolarHBondContact O-N 2.86Å; E281-T285 PolarHBondContact O-OG1 3Å
282Q92.6Very high89.5Confident19 Ų1951.9 Ų51.99%0.08928%0.28CS..Hα-helixtrans-61.7-55.2169.1-61-168.720.800110.9L274 L277 P278 L279 K284 T285 L286 L302L274-Q282 HydrophobicContact CD1-CB 4.2Å; L274-Q282 HydrophobicContact CD1-CG 4.42Å; L274-Q282 HydrophobicContact CG-CB 4.3Å; L274-Q282 HydrophobicContact CG-CG 4.27Å; L274-Q282 VanDerWaalsContact O-CD 3.27Å; L274-Q282 WeakPolarHBondContact O-CG 3.41Å; L274-Q282 PolarHBondContact O-NE2 2.9Å; L277-Q282 HydrophobicContact CB-CG 4.05Å; L277-Q282 WeakPolarHBondContact O-CG 3.42Å; L277-Q282 PolarHBondContact O-NE2 3.5Å; P278-Q282 PolarHBondContact O-N 2.8Å; L279-Q282 WeakPolarHBondContact O-CB 3.49Å; L279-Q282 PolarHBondContact O-N 3.02Å; Q282-K284 VanDerWaalsContact C-N 3.34Å; Q282-K284 PolarHBondContact O-N 3.5Å; Q282-T285 PolarHBondContact O-N 2.8Å; Q282-L286 WeakPolarHBondContact O-CG 3.37Å; Q282-L286 PolarHBondContact O-N 2.8Å; Q282-L302 HydrophobicContact CB-CD2 4.03Å
283V94.8Very high90.5Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-61.7-42.4-179.71750000110.9L279 L286 M287 L298 L302 V311 C314 I315 V318L279-V283 HydrophobicContact CD1-CG2 4.28Å; L279-V283 WeakPolarHBondContact O-CG2 3.26Å; L279-V283 PolarHBondContact O-N 3.43Å; V283-L286 PolarHBondContact O-N 2.91Å; V283-M287 HydrophobicContact CG1-CG 4.38Å; V283-M287 WeakPolarHBondContact O-CB 3.48Å; V283-M287 WeakPolarHBondContact O-CG 3.4Å; V283-M287 PolarHBondContact O-N 2.86Å; V283-L298 HydrophobicContact CG1-CD2 3.98Å; V283-L298 HydrophobicContact CG2-CD1 4.47Å; V283-L298 HydrophobicContact CG2-CD2 4.25Å; V283-L302 HydrophobicContact CG2-CD1 4.34Å; V283-V311 HydrophobicContact CG2-CG1 4.32Å; V283-C314 HydrophobicContact CB-CB 4.35Å; V283-C314 HydrophobicContact CG2-CB 4.26Å; V283-I315 HydrophobicContact CG1-CB 3.95Å; V283-I315 HydrophobicContact CG1-CG1 4.14Å; V283-V318 HydrophobicContact CG1-CG2 4.09Å
284K93.7Very high91.5Very high76 Ų7647 Ų4733%0.3325%0.248SC..Hα-helixtrans-61.4-45.5175.9-176.5178.3165.5-1530112.9G280 E281 Q282 M287 K288 V318G280-K284 WeakPolarHBondContact O-CB 3.41Å; G280-K284 PolarHBondContact O-N 3.37Å; E281-K284 VanDerWaalsContact OE1-CD 3.28Å; E281-K284 WeakPolarHBondContact OE1-CD 3.29Å; E281-K284 IonicContact OE1-NZ 3.06Å; E281-K284 PolarHBondContact OE1-NZ 3.04Å; E281-K284 IonicContact OE2-NZ 3.65Å; E281-K284 PolarHBondContact OE2-NZ 3.33Å; Q282-K284 VanDerWaalsContact C-N 3.34Å; Q282-K284 PolarHBondContact O-N 3.5Å; K284-M287 PolarHBondContact O-N 3.26Å; K284-K288 VanDerWaalsContact O-CB 3.27Å; K284-K288 WeakPolarHBondContact O-CB 3.34Å; K284-K288 PolarHBondContact O-N 2.82Å; K284-V318 HydrophobicContact CB-CG1 3.94Å; K284-V318 HydrophobicContact CD-CG1 4.32Å; K284-V318 HydrophobicContact CG-CG1 3.91Å
285T91.9Very high92.1Very high24 Ų2447.3 Ų47.315%0.14725%0.249CC..Hα-helixtrans-61.7-47.8176-66.40000111.1L269 L274 E281 Q282 K288 N289L269-T285 HydrophobicContact CD1-CG2 3.87Å; L274-T285 HydrophobicContact CD1-CG2 3.85Å; E281-T285 WeakPolarHBondContact O-CB 3.47Å; E281-T285 PolarHBondContact O-N 2.86Å; E281-T285 PolarHBondContact O-OG1 3Å; Q282-T285 PolarHBondContact O-N 2.8Å; T285-K288 PolarHBondContact O-N 3.11Å; T285-N289 WeakPolarHBondContact O-CB 3.48Å; T285-N289 PolarHBondContact O-N 2.82Å; T285-N289 VanDerWaalsContact O-N 3.11Å
286L92.7Very high92.7Very high14 Ų1443.5 Ų43.57%0.07325%0.249CC..Hα-helixtrans-59.6-49.3177.2-72.1175.8000111.6L274 Q282 V283 K288 N289 V290 L298 L301 L302L274-L286 HydrophobicContact CD2-CD1 4.04Å; L274-L286 HydrophobicContact CD2-CD2 3.83Å; L274-L286 HydrophobicContact CD2-CG 3.93Å; Q282-L286 WeakPolarHBondContact O-CG 3.37Å; Q282-L286 PolarHBondContact O-N 2.8Å; V283-L286 PolarHBondContact O-N 2.91Å; L286-K288 PolarHBondContact O-N 3.35Å; L286-N289 PolarHBondContact O-N 2.87Å; L286-V290 WeakPolarHBondContact O-CB 3.46Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.47Å; L286-L298 HydrophobicContact CB-CD1 4.29Å; L286-L298 HydrophobicContact CD1-CD1 3.45Å; L286-L298 VanDerWaalsContact CD1-CD1 3.45Å; L286-L301 HydrophobicContact CD1-CB 4.07Å; L286-L301 HydrophobicContact CD1-CD1 4.34Å; L286-L301 HydrophobicContact CD2-CD1 4.01Å; L286-L302 HydrophobicContact CD1-CD2 4.41Å
287M94.3Very high93.2Very high0 Ų042.6 Ų42.60%024%0.24CC..Hα-helixtrans-64.5-39178.2-69.2-50.1-50.300112.9V283 K284 N289 K291 M293 I315 V318 A319 W326 V328V283-M287 HydrophobicContact CG1-CG 4.38Å; V283-M287 WeakPolarHBondContact O-CB 3.48Å; V283-M287 WeakPolarHBondContact O-CG 3.4Å; V283-M287 PolarHBondContact O-N 2.86Å; K284-M287 PolarHBondContact O-N 3.26Å; M287-N289 PolarHBondContact O-N 2.83Å; M287-K291 WeakPolarHBondContact O-CA 3.1Å; M287-K291 PolarHBondContact O-N 3.33Å; M287-M293 HydrophobicContact CE-CG 4.35Å; M287-M293 HydrophobicContact SD-CG 3.8Å; M287-M293 HydrophobicContact SD-SD 3.66Å; M287-M293 VanDerWaalsContact SD-SD 3.66Å; M287-I315 HydrophobicContact CG-CG1 4.45Å; M287-I315 HydrophobicContact SD-CD1 4.31Å; M287-I315 HydrophobicContact SD-CG1 4.49Å; M287-V318 HydrophobicContact CB-CG2 4.37Å; M287-V318 HydrophobicContact CG-CG2 4.15Å; M287-A319 HydrophobicContact CE-CB 4Å; M287-A319 HydrophobicContact CG-CB 4.3Å; M287-W326 HydrophobicContact CE-CB 4.21Å; M287-W326 WeakPolarHBondContact CE-O 3.36Å; M287-V328 HydrophobicContact CB-CB 4.19Å; M287-V328 HydrophobicContact CB-CG2 4.09Å; M287-V328 HydrophobicContact CE-CB 4.3Å; M287-V328 WeakPolarHBondContact O-CB 3.29Å
288K92.1Very high93.6Very high71 Ų7140 Ų4031%0.30923%0.226SC..Hα-helixtrans-62.6-33177.2-166.9-165.6179-149.80112.2N267 K284 T285 L286 K291 L333N267-K288 PolarHBondContact OD1-NZ 3.37Å; K284-K288 VanDerWaalsContact O-CB 3.27Å; K284-K288 WeakPolarHBondContact O-CB 3.34Å; K284-K288 PolarHBondContact O-N 2.82Å; T285-K288 PolarHBondContact O-N 3.11Å; L286-K288 PolarHBondContact O-N 3.35Å; K288-K291 WeakPolarHBondContact O-CD 3.36Å; K288-K291 WeakPolarHBondContact O-CE 3.39Å; K288-K291 PolarHBondContact O-NZ 3.47Å; K288-L333 HydrophobicContact CG-CD2 4.1Å
289N89.6Confident93.7Very high62 Ų6237.9 Ų37.933%0.33221%0.209SC..Hα-helixtrans-85.1-55.1-179.7-72.5-6.2000112.7N267 T285 L286 M287N267-N289 VanDerWaalsContact O-CG 3.29Å; N267-N289 PolarHBondContact O-ND2 3.35Å; N267-N289 PolarHBondContact O-OD1 3.19Å; T285-N289 WeakPolarHBondContact O-CB 3.48Å; T285-N289 PolarHBondContact O-N 2.82Å; T285-N289 VanDerWaalsContact O-N 3.11Å; L286-N289 PolarHBondContact O-N 2.87Å; M287-N289 PolarHBondContact O-N 2.83Å
290V91.4Very high93.7Very high70 Ų7038.7 Ų38.742%0.42423%0.229SC..Hα-helixtrans-77.8-22.5-172.5-175.60000112.5L286 V292 M293L286-V290 WeakPolarHBondContact O-CB 3.46Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.47Å; V290-V292 PolarHBondContact O-N 3.25Å; V290-M293 HydrophobicContact CG1-CB 4.1Å
291K94.9Very high93.5Very high41 Ų4140.4 Ų40.418%0.17823%0.232CC..  trans65.6-48.7-179.6-41.7-64.2178175.30115.6M287 K288 V327 V328 L333 H389M287-K291 WeakPolarHBondContact O-CA 3.1Å; M287-K291 PolarHBondContact O-N 3.33Å; K288-K291 WeakPolarHBondContact O-CD 3.36Å; K288-K291 WeakPolarHBondContact O-CE 3.39Å; K288-K291 PolarHBondContact O-NZ 3.47Å; K291-V327 CarbonylContact O-C 3.6Å; K291-V327 WeakPolarHBondContact O-CA 3.43Å; K291-V328 HydrophobicContact CB-CG1 4.22Å; K291-V328 HydrophobicContact CD-CG1 4.18Å; K291-V328 PolarHBondContact O-N 2.79Å; K291-L333 HydrophobicContact CD-CD1 4.27Å; K291-L333 HydrophobicContact CD-CD2 4.14Å; K291-H389 VanDerWaalsContact CB-O 3.27Å; K291-H389 WeakPolarHBondContact CB-O 3.02Å; K291-H389 WeakPolarHBondContact CE-CD2 3.42Å; K291-H389 WeakPolarHBondContact CE-NE2 3.24Å; K291-H389 HydrophobicContact CG-CB 4.39Å
292V96.4Very high93.5Very high7 Ų736.8 Ų36.84%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-137.1126.1-178.6-173.30000110.2V290 N325 W326 V327 V390 F401 L403V290-V292 PolarHBondContact O-N 3.25Å; V292-N325 HydrophobicContact CG1-CB 4.27Å; V292-W326 CarbonylContact C-O 3.51Å; V292-W326 VanDerWaalsContact CA-O 3.28Å; V292-W326 WeakPolarHBondContact CA-O 3.42Å; V292-V327 HydrophobicContact CG1-CG2 4.08Å; V292-V327 HydrophobicContact CG2-CG1 4.25Å; V292-V327 HydrophobicContact CG2-CG2 4.01Å; V292-V390 HydrophobicContact CG2-CB 3.73Å; V292-V390 HydrophobicContact CG2-CG1 3.63Å; V292-F401 HydrophobicContact CG1-CE2 4.34Å; V292-F401 HydrophobicContact CG1-CZ 3.79Å; V292-L403 HydrophobicContact CG1-CD1 3.81Å; V292-L403 HydrophobicContact CG1-CG 4.29Å
293M96.3Very high93.1Very high7 Ų738.2 Ų38.23%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-151.6153.1175.167-168.9-52.200114.3M287 V290 N297 L298 L301 W326M287-M293 HydrophobicContact CE-CG 4.35Å; M287-M293 HydrophobicContact SD-CG 3.8Å; M287-M293 HydrophobicContact SD-SD 3.66Å; M287-M293 VanDerWaalsContact SD-SD 3.66Å; V290-M293 HydrophobicContact CG1-CB 4.1Å; M293-N297 HydrophobicContact CE-CB 4.02Å; M293-L298 HydrophobicContact CE-CB 3.85Å; M293-L298 HydrophobicContact CE-CD1 4.46Å; M293-L298 HydrophobicContact SD-CB 4.11Å; M293-L298 HydrophobicContact SD-CD1 4.31Å; M293-L301 HydrophobicContact CE-CD1 4.02Å; M293-W326 PolarHBondContact N-O 3.02Å; M293-W326 PolarHBondContact O-N 2.57Å
294P97.1Very high92.6Very high26 Ų2644.2 Ų44.217%0.16927%0.272CS..  trans-66.9150166.6-14.129.7000110.4A296 N297 L298 L403P294-A296 VanDerWaalsContact C-N 3.32Å; P294-A296 PolarHBondContact O-N 3.08Å; P294-N297 PolarHBondContact O-N 3.28Å; P294-L298 PolarHBondContact O-N 3.11Å; P294-L403 HydrophobicContact CG-CD1 4.1Å
295F96.5Very high92.1Very high9 Ų944.7 Ų44.74%0.03930%0.299CS..Hα-helixtrans-64.8-35.8-179-177.9-96.6000112.8N297 L298 M299 Q308 V311 L312 I315 W326 F409F295-N297 VanDerWaalsContact C-N 3.28Å; F295-N297 PolarHBondContact O-N 2.84Å; F295-L298 WeakPolarHBondContact O-CB 3.39Å; F295-L298 PolarHBondContact O-N 3.01Å; F295-L298 VanDerWaalsContact O-N 3.14Å; F295-M299 HydrophobicContact CD1-CG 4.1Å; F295-M299 HydrophobicContact CE1-CG 3.53Å; F295-M299 HydrophobicContact CE1-SD 3.89Å; F295-M299 HydrophobicContact CZ-CG 3.9Å; F295-M299 HydrophobicContact CZ-SD 3.66Å; F295-M299 PolarHBondContact O-N 2.6Å; F295-Q308 HydrophobicContact CE1-CG 3.73Å; F295-Q308 HydrophobicContact CZ-CG 3.84Å; F295-V311 HydrophobicContact CE2-CB 4.47Å; F295-V311 HydrophobicContact CE2-CG1 3.88Å; F295-V311 HydrophobicContact CZ-CB 4.37Å; F295-V311 HydrophobicContact CZ-CG1 4.14Å; F295-L312 HydrophobicContact CD2-CD2 3.99Å; F295-L312 HydrophobicContact CE2-CD2 3.51Å; F295-L312 HydrophobicContact CE2-CG 3.76Å; F295-L312 HydrophobicContact CZ-CD1 4.46Å; F295-L312 HydrophobicContact CZ-CD2 3.86Å; F295-L312 HydrophobicContact CZ-CG 3.7Å; F295-I315 HydrophobicContact CD2-CD1 4.36Å; F295-W326 AromaticContact CD2-NE1 3.78Å; F295-F409 HydrophobicContact CB-CD2 3.34Å; F295-F409 HydrophobicContact CB-CE2 3.53Å; F295-F409 HydrophobicContact CB-CG 4.26Å; F295-F409 HydrophobicContact CD1-CD2 4.01Å; F295-F409 AromaticContact CD1-CE2 3.85Å; F295-F409 HydrophobicContact CD1-CE2 3.85Å; F295-F409 AromaticContact CD2-CE2 3.87Å; F295-F409 HydrophobicContact CD2-CE2 3.87Å; F295-F409 AromaticContact CG-CD2 3.71Å; F295-F409 HydrophobicContact CG-CD2 3.71Å; F295-F409 AromaticContact CG-CE2 3.45Å; F295-F409 HydrophobicContact CG-CE2 3.45Å; F295-F409 VanDerWaalsContact CG-CE2 3.45Å
296A94.3Very high92Very high67 Ų6745.2 Ų45.255%0.55430%0.302SS*.Hα-helixtrans-58.6-39.5176.400000112.4P294 L298 M299 G300P294-A296 VanDerWaalsContact C-N 3.32Å; P294-A296 PolarHBondContact O-N 3.08Å; A296-L298 VanDerWaalsContact C-N 3.3Å; A296-L298 PolarHBondContact O-N 3.36Å; A296-M299 PolarHBondContact O-N 2.94Å; A296-G300 PolarHBondContact O-N 3.19Å
297N94.8Very high92Very high94 Ų9448.1 Ų48.150%0.50332%0.317SS..Hα-helixtrans-68.2-31.1179.2-65.716.8000111.7M293 P294 F295 G300 L301M293-N297 HydrophobicContact CE-CB 4.02Å; P294-N297 PolarHBondContact O-N 3.28Å; F295-N297 VanDerWaalsContact C-N 3.28Å; F295-N297 PolarHBondContact O-N 2.84Å; N297-G300 PolarHBondContact O-N 2.95Å; N297-L301 WeakPolarHBondContact O-CG 3.46Å; N297-L301 PolarHBondContact O-N 3.14Å
298L94.1Very high92Very high0 Ų052.2 Ų52.20%034%0.337CS..Hα-helixtrans-67.5-46.3173.8177.561.5000110.8V283 L286 M293 P294 F295 A296 G300 L301 L302 V311 I315V283-L298 HydrophobicContact CG1-CD2 3.98Å; V283-L298 HydrophobicContact CG2-CD1 4.47Å; V283-L298 HydrophobicContact CG2-CD2 4.25Å; L286-L298 HydrophobicContact CB-CD1 4.29Å; L286-L298 HydrophobicContact CD1-CD1 3.45Å; L286-L298 VanDerWaalsContact CD1-CD1 3.45Å; M293-L298 HydrophobicContact CE-CB 3.85Å; M293-L298 HydrophobicContact CE-CD1 4.46Å; M293-L298 HydrophobicContact SD-CB 4.11Å; M293-L298 HydrophobicContact SD-CD1 4.31Å; P294-L298 PolarHBondContact O-N 3.11Å; F295-L298 WeakPolarHBondContact O-CB 3.39Å; F295-L298 PolarHBondContact O-N 3.01Å; F295-L298 VanDerWaalsContact O-N 3.14Å; A296-L298 VanDerWaalsContact C-N 3.3Å; A296-L298 PolarHBondContact O-N 3.36Å; L298-G300 PolarHBondContact O-N 3.47Å; L298-L301 PolarHBondContact O-N 2.58Å; L298-L301 VanDerWaalsContact O-N 3.1Å; L298-L302 HydrophobicContact CD1-CD1 4.2Å; L298-L302 HydrophobicContact CD1-CG 4.29Å; L298-L302 HydrophobicContact CG-CD1 4.04Å; L298-L302 WeakPolarHBondContact O-CG 3.29Å; L298-L302 PolarHBondContact O-N 3.11Å; L298-V311 HydrophobicContact CD2-CG1 3.55Å; L298-V311 HydrophobicContact CG-CG1 4.1Å; L298-I315 HydrophobicContact CD2-CD1 3.61Å; L298-I315 HydrophobicContact CD2-CG1 4.31Å
299M94.2Very high92.1Very high50 Ų5053 Ų5325%0.24635%0.347CS..Hα-helixtrans-58.6-36.3176.4-64.3-58.3-61.500111.9F295 A296 L301 T306 Q308 V311F295-M299 HydrophobicContact CD1-CG 4.1Å; F295-M299 HydrophobicContact CE1-CG 3.53Å; F295-M299 HydrophobicContact CE1-SD 3.89Å; F295-M299 HydrophobicContact CZ-CG 3.9Å; F295-M299 HydrophobicContact CZ-SD 3.66Å; F295-M299 PolarHBondContact O-N 2.6Å; A296-M299 PolarHBondContact O-N 2.94Å; M299-L301 PolarHBondContact O-N 2.84Å; M299-T306 WeakPolarHBondContact CE-O 3.46Å; M299-Q308 HydrophobicContact CE-CB 4.02Å; M299-V311 HydrophobicContact CE-CG2 4.39Å; M299-V311 HydrophobicContact SD-CB 3.85Å; M299-V311 HydrophobicContact SD-CG1 3.86Å; M299-V311 HydrophobicContact SD-CG2 3.81Å
300G91.3Very high92.4Very high67 Ų6751.4 Ų51.469%0.69134%0.341SS*.Hα-helixtrans-72.1-18.4176.400000115.9A296 N297 L298A296-G300 PolarHBondContact O-N 3.19Å; N297-G300 PolarHBondContact O-N 2.95Å; L298-G300 PolarHBondContact O-N 3.47Å
301L89.8Confident92.6Very high61 Ų6148.1 Ų48.132%0.31932%0.321SS..Hα-helixtrans-91.3-23.9175.7-70.7176.8000113.3M271 L286 M293 N297 L298 M299M271-L301 HydrophobicContact CE-CB 4.17Å; M271-L301 HydrophobicContact CE-CD2 4.03Å; M271-L301 WeakPolarHBondContact CE-O 3.22Å; L286-L301 HydrophobicContact CD1-CB 4.07Å; L286-L301 HydrophobicContact CD1-CD1 4.34Å; L286-L301 HydrophobicContact CD2-CD1 4.01Å; M293-L301 HydrophobicContact CE-CD1 4.02Å; N297-L301 WeakPolarHBondContact O-CG 3.46Å; N297-L301 PolarHBondContact O-N 3.14Å; L298-L301 PolarHBondContact O-N 2.58Å; L298-L301 VanDerWaalsContact O-N 3.1Å; M299-L301 PolarHBondContact O-N 2.84Å
302L90.8Very high92.7Very high8 Ų846.9 Ų46.94%0.04232%0.316CS..SBendtrans-76.1178.1177.7-65.9170.9000111.6L279 Q282 V283 L286 L298 T306 V311L279-L302 HydrophobicContact CD1-CD1 4.11Å; L279-L302 HydrophobicContact CD1-CD2 3.94Å; Q282-L302 HydrophobicContact CB-CD2 4.03Å; V283-L302 HydrophobicContact CG2-CD1 4.34Å; L286-L302 HydrophobicContact CD1-CD2 4.41Å; L298-L302 HydrophobicContact CD1-CD1 4.2Å; L298-L302 HydrophobicContact CD1-CG 4.29Å; L298-L302 HydrophobicContact CG-CD1 4.04Å; L298-L302 WeakPolarHBondContact O-CG 3.29Å; L298-L302 PolarHBondContact O-N 3.11Å; L302-T306 HydrophobicContact CD1-CG2 4.43Å; L302-V311 HydrophobicContact CD1-CB 4.39Å; L302-V311 HydrophobicContact CD1-CG1 3.87Å; L302-V311 HydrophobicContact CD1-CG2 3.5Å
303A85.3Confident92.7Very high48 Ų4853.2 Ų53.240%0.39734%0.34SS..  trans-70139.317800000111.5G305 T306A303-G305 PolarHBondContact O-N 3.33Å; A303-T306 PolarHBondContact N-OG1 3Å; A303-T306 WeakPolarHBondContact O-CB 3.18Å; A303-T306 PolarHBondContact O-N 3.44Å; A303-T306 PolarHBondContact O-OG1 3.48Å
304S82.4Confident92.7Very high127 Ų12753.9 Ų53.989%0.88835%0.345SS*.THydrogen-bonded Turntrans-55.4120.7173.4510000110.8
305G83.4Confident92.7Very high86 Ų8652.6 Ų52.689%0.88734%0.337SS*.THydrogen-bonded Turntrans965.8-175.200000115.7A303 D307A303-G305 PolarHBondContact O-N 3.33Å; G305-D307 PolarHBondContact O-N 3.41Å
306T90.6Very high92.7Very high35 Ų3554.3 Ų54.322%0.21535%0.345CS..  trans-64.4130.9172.8-55.50000111.3L279 M299 L302 A303 Q308 V311L279-T306 HydrophobicContact CD1-CG2 3.88Å; L279-T306 HydrophobicContact CD2-CG2 4.08Å; M299-T306 WeakPolarHBondContact CE-O 3.46Å; L302-T306 HydrophobicContact CD1-CG2 4.43Å; A303-T306 PolarHBondContact N-OG1 3Å; A303-T306 WeakPolarHBondContact O-CB 3.18Å; A303-T306 PolarHBondContact O-N 3.44Å; A303-T306 PolarHBondContact O-OG1 3.48Å; T306-Q308 PolarHBondContact O-N 2.91Å; T306-V311 HydrophobicContact CG2-CG2 3.61Å
307D93.2Very high92.7Very high74 Ų7457.1 Ų57.140%0.39635%0.346SS..  trans-63.2118.6177162.143.5000112.8G305 T309 S310 V311G305-D307 PolarHBondContact O-N 3.41Å; D307-T309 VanDerWaalsContact C-N 3.26Å; D307-T309 PolarHBondContact O-N 3.23Å; D307-T309 VanDerWaalsContact OD1-CB 3.24Å; D307-T309 WeakPolarHBondContact OD1-CB 3.21Å; D307-T309 PolarHBondContact OD1-N 3.25Å; D307-T309 PolarHBondContact OD1-OG1 2.95Å; D307-T309 WeakPolarHBondContact OD2-CB 3.27Å; D307-S310 PolarHBondContact O-N 3.08Å; D307-S310 WeakPolarHBondContact OD2-CB 3.44Å; D307-S310 PolarHBondContact OD2-N 3.29Å; D307-S310 PolarHBondContact OD2-OG 3Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 2.99Å; D307-V311 VanDerWaalsContact O-N 3.08Å
308Q94.2Very high92.8Very high87 Ų8753.3 Ų53.341%0.40733%0.327SS..Hα-helixtrans-55.3-36.5176.2-176.7170.4-2.700113.2F295 M299 T306 V311 L312 H413F295-Q308 HydrophobicContact CE1-CG 3.73Å; F295-Q308 HydrophobicContact CZ-CG 3.84Å; M299-Q308 HydrophobicContact CE-CB 4.02Å; T306-Q308 PolarHBondContact O-N 2.91Å; Q308-V311 PolarHBondContact O-N 3.21Å; Q308-L312 HydrophobicContact CG-CD1 4.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.49Å; Q308-L312 WeakPolarHBondContact O-CG 3.25Å; Q308-L312 PolarHBondContact O-N 3.02Å; Q308-H413 PolarHBondContact NE2-CE1 2.97Å; Q308-H413 PolarHBondContact NE2-NE2 2.83Å
309T94.6Very high93Very high86 Ų8653.3 Ų53.353%0.52833%0.327SS..Hα-helixtrans-67.3-40.8-178.7-43.50000111.2D307 L312 R313D307-T309 VanDerWaalsContact C-N 3.26Å; D307-T309 PolarHBondContact O-N 3.23Å; D307-T309 VanDerWaalsContact OD1-CB 3.24Å; D307-T309 WeakPolarHBondContact OD1-CB 3.21Å; D307-T309 PolarHBondContact OD1-N 3.25Å; D307-T309 PolarHBondContact OD1-OG1 2.95Å; D307-T309 WeakPolarHBondContact OD2-CB 3.27Å; T309-L312 PolarHBondContact O-N 3.34Å; T309-R313 PolarHBondContact O-N 2.98Å
310S95.4Very high93.1Very high30 Ų3051.7 Ų51.721%0.2132%0.319CS..Hα-helixtrans-73.3-34.8177-63.50000112.2D307 R313 C314D307-S310 PolarHBondContact O-N 3.08Å; D307-S310 WeakPolarHBondContact OD2-CB 3.44Å; D307-S310 PolarHBondContact OD2-N 3.29Å; D307-S310 PolarHBondContact OD2-OG 3Å; S310-R313 WeakPolarHBondContact O-CB 3.49Å; S310-R313 PolarHBondContact O-N 2.84Å; S310-R313 PolarHBondContact OG-NH1 3.45Å; S310-C314 PolarHBondContact O-N 2.68Å; S310-C314 PolarHBondContact O-SG 3.16Å; S310-C314 VanDerWaalsContact O-SG 3.41Å
311V96.3Very high93.4Very high0 Ų049.2 Ų49.20%029%0.29CS..Hα-helixtrans-62.9-44.6169.3-178.40000110.9L279 V283 F295 L298 M299 L302 T306 D307 Q308 R313 C314 I315L279-V311 HydrophobicContact CD1-CG2 4.29Å; L279-V311 HydrophobicContact CD2-CG2 4.3Å; V283-V311 HydrophobicContact CG2-CG1 4.32Å; F295-V311 HydrophobicContact CE2-CB 4.47Å; F295-V311 HydrophobicContact CE2-CG1 3.88Å; F295-V311 HydrophobicContact CZ-CB 4.37Å; F295-V311 HydrophobicContact CZ-CG1 4.14Å; L298-V311 HydrophobicContact CD2-CG1 3.55Å; L298-V311 HydrophobicContact CG-CG1 4.1Å; M299-V311 HydrophobicContact CE-CG2 4.39Å; M299-V311 HydrophobicContact SD-CB 3.85Å; M299-V311 HydrophobicContact SD-CG1 3.86Å; M299-V311 HydrophobicContact SD-CG2 3.81Å; L302-V311 HydrophobicContact CD1-CB 4.39Å; L302-V311 HydrophobicContact CD1-CG1 3.87Å; L302-V311 HydrophobicContact CD1-CG2 3.5Å; T306-V311 HydrophobicContact CG2-CG2 3.61Å; D307-V311 WeakPolarHBondContact O-CG2 3.47Å; D307-V311 PolarHBondContact O-N 2.99Å; D307-V311 VanDerWaalsContact O-N 3.08Å; Q308-V311 PolarHBondContact O-N 3.21Å; V311-R313 VanDerWaalsContact C-N 3.26Å; V311-R313 PolarHBondContact O-N 3.19Å; V311-C314 PolarHBondContact O-N 2.94Å; V311-I315 WeakPolarHBondContact O-CB 3.23Å; V311-I315 WeakPolarHBondContact O-CG2 3.25Å; V311-I315 PolarHBondContact O-N 2.82Å
312L96.3Very high93.7Very high15 Ų1546.4 Ų46.48%0.07928%0.275CS..Hα-helixtrans-60.5-32.4173.5-78169.7000112.9F295 Q308 T309 Q316 W326 F409F295-L312 HydrophobicContact CD2-CD2 3.99Å; F295-L312 HydrophobicContact CE2-CD2 3.51Å; F295-L312 HydrophobicContact CE2-CG 3.76Å; F295-L312 HydrophobicContact CZ-CD1 4.46Å; F295-L312 HydrophobicContact CZ-CD2 3.86Å; F295-L312 HydrophobicContact CZ-CG 3.7Å; Q308-L312 HydrophobicContact CG-CD1 4.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.49Å; Q308-L312 WeakPolarHBondContact O-CG 3.25Å; Q308-L312 PolarHBondContact O-N 3.02Å; T309-L312 PolarHBondContact O-N 3.34Å; L312-Q316 WeakPolarHBondContact O-CG 3.43Å; L312-Q316 PolarHBondContact O-NE2 3.1Å; L312-W326 HydrophobicContact CD2-CZ2 4.38Å; L312-F409 HydrophobicContact CD2-CE2 3.89Å; L312-F409 HydrophobicContact CD2-CZ 3.8Å
313R95.3Very high93.9Very high140 Ų14047.5 Ų47.553%0.52828%0.28SS..Hα-helixtrans-70.4-44.4173.7-165-173.2-60.3107.11.5111.6T309 S310 V311T309-R313 PolarHBondContact O-N 2.98Å; S310-R313 WeakPolarHBondContact O-CB 3.49Å; S310-R313 PolarHBondContact O-N 2.84Å; S310-R313 PolarHBondContact OG-NH1 3.45Å; V311-R313 VanDerWaalsContact C-N 3.26Å; V311-R313 PolarHBondContact O-N 3.19Å
314C96.6Very high94.4Very high21 Ų2145.3 Ų45.314%0.14226%0.262CS..Hα-helixtrans-69.6-45.1179.9-70.50000112.7V283 S310 V311 Q316 Q317V283-C314 HydrophobicContact CB-CB 4.35Å; V283-C314 HydrophobicContact CG2-CB 4.26Å; S310-C314 PolarHBondContact O-N 2.68Å; S310-C314 PolarHBondContact O-SG 3.16Å; S310-C314 VanDerWaalsContact O-SG 3.41Å; V311-C314 PolarHBondContact O-N 2.94Å; C314-Q316 VanDerWaalsContact C-N 3.31Å; C314-Q316 PolarHBondContact O-N 2.98Å; C314-Q317 WeakPolarHBondContact O-CB 3.19Å; C314-Q317 PolarHBondContact O-N 3.49Å
315I97.1Very high95.1Very high0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-62.8-37.7-176.2-161.9172.7000112.1V283 M287 F295 L298 V311 Q317 V318 A319 W326V283-I315 HydrophobicContact CG1-CB 3.95Å; V283-I315 HydrophobicContact CG1-CG1 4.14Å; M287-I315 HydrophobicContact CG-CG1 4.45Å; M287-I315 HydrophobicContact SD-CD1 4.31Å; M287-I315 HydrophobicContact SD-CG1 4.49Å; F295-I315 HydrophobicContact CD2-CD1 4.36Å; L298-I315 HydrophobicContact CD2-CD1 3.61Å; L298-I315 HydrophobicContact CD2-CG1 4.31Å; V311-I315 WeakPolarHBondContact O-CB 3.23Å; V311-I315 WeakPolarHBondContact O-CG2 3.25Å; V311-I315 PolarHBondContact O-N 2.82Å; I315-Q317 PolarHBondContact O-N 2.77Å; I315-Q317 VanDerWaalsContact O-N 3.16Å; I315-V318 PolarHBondContact O-N 2.95Å; I315-A319 HydrophobicContact CG1-CB 4Å; I315-A319 PolarHBondContact O-N 3.15Å; I315-W326 HydrophobicContact CD1-CB 3.61Å; I315-W326 HydrophobicContact CD1-CD2 3.53Å; I315-W326 HydrophobicContact CD1-CE3 4.13Å; I315-W326 HydrophobicContact CD1-CG 3.27Å; I315-W326 HydrophobicContact CG1-CB 4.35Å; I315-W326 HydrophobicContact CG1-CD2 3.92Å; I315-W326 HydrophobicContact CG1-CE3 3.99Å; I315-W326 HydrophobicContact CG1-CG 4.09Å; I315-W326 HydrophobicContact CG2-CD2 4.2Å; I315-W326 HydrophobicContact CG2-CE3 4.28Å; I315-W326 HydrophobicContact CG2-CH2 4.12Å; I315-W326 HydrophobicContact CG2-CZ2 3.99Å; I315-W326 HydrophobicContact CG2-CZ3 4.25Å
316Q96.1Very high95.8Very high44 Ų4435.3 Ų35.321%0.20618%0.178CC..Hα-helixtrans-64.9-17.2176.2-73.9-178.291.600114.1L312 C314 W326 K329L312-Q316 WeakPolarHBondContact O-CG 3.43Å; L312-Q316 PolarHBondContact O-NE2 3.1Å; C314-Q316 VanDerWaalsContact C-N 3.31Å; C314-Q316 PolarHBondContact O-N 2.98Å; Q316-W326 HydrophobicContact CG-CH2 3.47Å; Q316-W326 VanDerWaalsContact CG-CH2 3.47Å; Q316-W326 HydrophobicContact CG-CZ2 4.46Å; Q316-W326 HydrophobicContact CG-CZ3 3.89Å; Q316-K329 WeakPolarHBondContact O-CE 3.43Å; Q316-K329 PolarHBondContact O-NZ 3.01Å
317Q95.6Very high96.1Very high127 Ų12733.8 Ų33.859%0.59317%0.169SC*.Hα-helixtrans-76.9-32.8172.6-63.3176.7-6.500111.5C314 I315 K329C314-Q317 WeakPolarHBondContact O-CB 3.19Å; C314-Q317 PolarHBondContact O-N 3.49Å; I315-Q317 PolarHBondContact O-N 2.77Å; I315-Q317 VanDerWaalsContact O-N 3.16Å; Q317-K329 VanDerWaalsContact C-NZ 3.3Å; Q317-K329 WeakPolarHBondContact O-CE 3.35Å; Q317-K329 PolarHBondContact O-NZ 3.47Å
318V96.5Very high96.3Very high14 Ų1430.3 Ų30.39%0.08515%0.15CC..Hα-helixtrans-116-11.4-169.4-61.20000115.4V283 K284 M287 I315 K329 V332V283-V318 HydrophobicContact CG1-CG2 4.09Å; K284-V318 HydrophobicContact CB-CG1 3.94Å; K284-V318 HydrophobicContact CD-CG1 4.32Å; K284-V318 HydrophobicContact CG-CG1 3.91Å; M287-V318 HydrophobicContact CB-CG2 4.37Å; M287-V318 HydrophobicContact CG-CG2 4.15Å; I315-V318 PolarHBondContact O-N 2.95Å; V318-K329 PolarHBondContact O-N 2.75Å; V318-V332 HydrophobicContact CB-CG2 4.15Å; V318-V332 HydrophobicContact CG1-CG2 4.38Å
319A97.4Very high96.4Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-138.8165.6-178.600000111.7M287 I315 W326 V327 K329M287-A319 HydrophobicContact CE-CB 4Å; M287-A319 HydrophobicContact CG-CB 4.3Å; I315-A319 HydrophobicContact CG1-CB 4Å; I315-A319 PolarHBondContact O-N 3.15Å; A319-W326 HydrophobicContact CB-CB 4.36Å; A319-W326 HydrophobicContact CB-CE3 3.91Å; A319-V327 CarbonylContact C-O 3.5Å; A319-V327 WeakPolarHBondContact CA-O 3.26Å; A319-V327 VanDerWaalsContact CB-O 3.27Å; A319-V327 WeakPolarHBondContact CB-O 3.42Å; A319-K329 WeakPolarHBondContact O-CE 3.48Å
320L97.4Very high96.5Very high16 Ų1624.2 Ų24.28%0.08412%0.115CC..EExtended strand (participates in β ladder)trans-126.1155.6172.6-67.8170000109.7V327 K329 L423 W424 I427L320-V327 PolarHBondContact N-O 2.86Å; L320-V327 PolarHBondContact O-N 3.3Å; L320-K329 HydrophobicContact CD1-CG 4.28Å; L320-K329 HydrophobicContact CG-CG 3.93Å; L320-L423 HydrophobicContact CD2-CD1 4.13Å; L320-W424 HydrophobicContact CB-CH2 4.41Å; L320-W424 HydrophobicContact CB-CZ2 3.61Å; L320-W424 HydrophobicContact CD1-CH2 3.68Å; L320-W424 HydrophobicContact CD1-CZ2 3.66Å; L320-W424 HydrophobicContact CD1-CZ3 4.33Å; L320-W424 HydrophobicContact CG-CZ2 4.26Å; L320-I427 HydrophobicContact CD1-CD1 3.71Å
321L97.2Very high96.4Very high15 Ų1527.5 Ų27.58%0.07913%0.13CC..EExtended strand (participates in β ladder)trans-86.8125.3-179.6-163.675.8000111.5G324 N325 W326 F409 A417 Q420 W424L321-G324 VanDerWaalsContact CD1-O 3.29Å; L321-G324 WeakPolarHBondContact CD1-O 3.2Å; L321-N325 CarbonylContact C-O 3.57Å; L321-N325 WeakPolarHBondContact CA-O 3.38Å; L321-W326 HydrophobicContact CB-CH2 4.47Å; L321-W326 HydrophobicContact CB-CZ3 4.42Å; L321-W326 HydrophobicContact CD1-CD2 3.97Å; L321-W326 HydrophobicContact CD1-CG 4.28Å; L321-W326 HydrophobicContact CD1-CH2 4.5Å; L321-W326 HydrophobicContact CD1-CZ2 3.95Å; L321-F409 HydrophobicContact CD1-CD1 3.7Å; L321-F409 HydrophobicContact CD1-CE1 3.51Å; L321-F409 HydrophobicContact CD1-CZ 4.47Å; L321-F409 HydrophobicContact CD2-CD1 4.24Å; L321-F409 HydrophobicContact CD2-CE1 3.99Å; L321-F409 HydrophobicContact CG-CE1 4.43Å; L321-A417 HydrophobicContact CD2-CB 4.07Å; L321-Q420 HydrophobicContact CB-CB 3.76Å; L321-Q420 HydrophobicContact CB-CG 3.77Å; L321-Q420 HydrophobicContact CD2-CB 4.4Å; L321-Q420 VanDerWaalsContact N-OE1 3.1Å; L321-W424 PolarHBondContact O-NE1 3.23Å
322V96.9Very high96.3Very high1 Ų128.8 Ų28.81%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-133.2122.6175.1-177.80000108.6G324 N325 V327 F361 T362 F401 W424V322-G324 PolarHBondContact O-N 2.74Å; V322-N325 PolarHBondContact N-O 3.26Å; V322-N325 PolarHBondContact O-N 3.05Å; V322-N325 VanDerWaalsContact O-O 3.1Å; V322-V327 HydrophobicContact CB-CG2 3.72Å; V322-V327 HydrophobicContact CG2-CB 4.17Å; V322-V327 HydrophobicContact CG2-CG2 3.74Å; V322-F361 HydrophobicContact CG1-CB 3.78Å; V322-T362 HydrophobicContact CG1-CG2 4.2Å; V322-T362 HydrophobicContact CG2-CG2 4.27Å; V322-F401 HydrophobicContact CB-CE2 4.39Å; V322-F401 HydrophobicContact CB-CZ 4.21Å; V322-F401 HydrophobicContact CG1-CE2 3.97Å; V322-F401 HydrophobicContact CG1-CZ 4.09Å; V322-W424 HydrophobicContact CG2-CZ2 3.64Å
323Q94.6Very high96Very high31 Ų3129.3 Ų29.315%0.14514%0.141CC..THydrogen-bonded Turntrans47.543.6-174.7-61.5179.433.400112.7N325 F361 E364 F401 T405 D406Q323-N325 PolarHBondContact O-N 2.72Å; Q323-N325 PolarHBondContact O-ND2 3.05Å; Q323-F361 WeakPolarHBondContact CG-O 3.3Å; Q323-F361 PolarHBondContact NE2-O 2.68Å; Q323-E364 PolarHBondContact NE2-O 3.12Å; Q323-F401 HydrophobicContact CB-CD1 4.17Å; Q323-F401 HydrophobicContact CB-CE1 4.06Å; Q323-F401 HydrophobicContact CG-CD1 4.42Å; Q323-T405 HydrophobicContact CB-CG2 4.17Å; Q323-T405 CarbonylContact O-C 3.57Å; Q323-T405 VanDerWaalsContact O-CA 3.31Å; Q323-T405 WeakPolarHBondContact O-CA 3.2Å; Q323-D406 PolarHBondContact O-N 2.92Å
324G94.3Very high95.9Very high2 Ų223.7 Ų23.72%0.02112%0.12CC..THydrogen-bonded Turntrans73-12-177.900000115.9L321 V322L321-G324 VanDerWaalsContact CD1-O 3.29Å; L321-G324 WeakPolarHBondContact CD1-O 3.2Å; V322-G324 PolarHBondContact O-N 2.74Å
325N97.4Very high95.6Very high3 Ų325.9 Ų25.92%0.01613%0.134CC..EExtended strand (participates in β ladder)trans-93.7153.8178.1-66.6-92.3000110.3V292 L321 V322 Q323 F401 L403 P404V292-N325 HydrophobicContact CG1-CB 4.27Å; L321-N325 CarbonylContact C-O 3.57Å; L321-N325 WeakPolarHBondContact CA-O 3.38Å; V322-N325 PolarHBondContact N-O 3.26Å; V322-N325 PolarHBondContact O-N 3.05Å; V322-N325 VanDerWaalsContact O-O 3.1Å; Q323-N325 PolarHBondContact O-N 2.72Å; Q323-N325 PolarHBondContact O-ND2 3.05Å; N325-F401 HydrophobicContact CB-CE1 4.18Å; N325-F401 HydrophobicContact CB-CZ 4.29Å; N325-L403 HydrophobicContact CB-CD1 4.26Å; N325-L403 WeakPolarHBondContact OD1-CD1 3.38Å; N325-P404 PolarHBondContact ND2-O 3.33Å
326W97.9Very high95.2Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-91.7126177.9-71.292.5000110.8M287 V292 M293 F295 L312 I315 Q316 A319 L321 F409 V416 Q420M287-W326 HydrophobicContact CE-CB 4.21Å; M287-W326 WeakPolarHBondContact CE-O 3.36Å; V292-W326 CarbonylContact C-O 3.51Å; V292-W326 VanDerWaalsContact CA-O 3.28Å; V292-W326 WeakPolarHBondContact CA-O 3.42Å; M293-W326 PolarHBondContact N-O 3.02Å; M293-W326 PolarHBondContact O-N 2.57Å; F295-W326 AromaticContact CD2-NE1 3.78Å; L312-W326 HydrophobicContact CD2-CZ2 4.38Å; I315-W326 HydrophobicContact CD1-CB 3.61Å; I315-W326 HydrophobicContact CD1-CD2 3.53Å; I315-W326 HydrophobicContact CD1-CE3 4.13Å; I315-W326 HydrophobicContact CD1-CG 3.27Å; I315-W326 HydrophobicContact CG1-CB 4.35Å; I315-W326 HydrophobicContact CG1-CD2 3.92Å; I315-W326 HydrophobicContact CG1-CE3 3.99Å; I315-W326 HydrophobicContact CG1-CG 4.09Å; I315-W326 HydrophobicContact CG2-CD2 4.2Å; I315-W326 HydrophobicContact CG2-CE3 4.28Å; I315-W326 HydrophobicContact CG2-CH2 4.12Å; I315-W326 HydrophobicContact CG2-CZ2 3.99Å; I315-W326 HydrophobicContact CG2-CZ3 4.25Å; Q316-W326 HydrophobicContact CG-CH2 3.47Å; Q316-W326 VanDerWaalsContact CG-CH2 3.47Å; Q316-W326 HydrophobicContact CG-CZ2 4.46Å; Q316-W326 HydrophobicContact CG-CZ3 3.89Å; A319-W326 HydrophobicContact CB-CB 4.36Å; A319-W326 HydrophobicContact CB-CE3 3.91Å; L321-W326 HydrophobicContact CB-CH2 4.47Å; L321-W326 HydrophobicContact CB-CZ3 4.42Å; L321-W326 HydrophobicContact CD1-CD2 3.97Å; L321-W326 HydrophobicContact CD1-CG 4.28Å; L321-W326 HydrophobicContact CD1-CH2 4.5Å; L321-W326 HydrophobicContact CD1-CZ2 3.95Å; W326-F409 AromaticContact CE2-CZ 3.85Å; W326-F409 AromaticContact CZ2-CE1 3.97Å; W326-F409 HydrophobicContact CZ2-CE1 3.97Å; W326-F409 AromaticContact CZ2-CZ 3.65Å; W326-F409 HydrophobicContact CZ2-CZ 3.65Å; W326-F409 AromaticContact NE1-CE1 3.78Å; W326-F409 AromaticContact NE1-CE2 3.72Å; W326-F409 AromaticContact NE1-CZ 3.45Å; W326-V416 HydrophobicContact CH2-CG1 3.91Å; W326-V416 HydrophobicContact CZ2-CG1 3.91Å; W326-Q420 HydrophobicContact CH2-CG 4.09Å; W326-Q420 HydrophobicContact CZ3-CG 4.47Å
327V97.9Very high94.7Very high3 Ų339.5 Ų39.52%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-114.3127.2178.8-179.70000109K291 V292 A319 L320 V322 M358 V390 F401K291-V327 CarbonylContact O-C 3.6Å; K291-V327 WeakPolarHBondContact O-CA 3.43Å; V292-V327 HydrophobicContact CG1-CG2 4.08Å; V292-V327 HydrophobicContact CG2-CG1 4.25Å; V292-V327 HydrophobicContact CG2-CG2 4.01Å; A319-V327 CarbonylContact C-O 3.5Å; A319-V327 WeakPolarHBondContact CA-O 3.26Å; A319-V327 VanDerWaalsContact CB-O 3.27Å; A319-V327 WeakPolarHBondContact CB-O 3.42Å; L320-V327 PolarHBondContact N-O 2.86Å; L320-V327 PolarHBondContact O-N 3.3Å; V322-V327 HydrophobicContact CB-CG2 3.72Å; V322-V327 HydrophobicContact CG2-CB 4.17Å; V322-V327 HydrophobicContact CG2-CG2 3.74Å; V327-M358 HydrophobicContact CG1-CG 4.3Å; V327-M358 HydrophobicContact CG1-SD 3.84Å; V327-V390 HydrophobicContact CG1-CG1 4.03Å; V327-F401 HydrophobicContact CG2-CE2 4.08Å; V327-F401 HydrophobicContact CG2-CZ 4.01Å
328V97.5Very high94.5Very high1 Ų136 Ų361%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-57.6139.1178.367.80000111.6M287 K291 V332 L333 R354M287-V328 HydrophobicContact CB-CB 4.19Å; M287-V328 HydrophobicContact CB-CG2 4.09Å; M287-V328 HydrophobicContact CE-CB 4.3Å; M287-V328 WeakPolarHBondContact O-CB 3.29Å; K291-V328 HydrophobicContact CB-CG1 4.22Å; K291-V328 HydrophobicContact CD-CG1 4.18Å; K291-V328 PolarHBondContact O-N 2.79Å; V328-V332 HydrophobicContact CG2-CB 3.93Å; V328-V332 HydrophobicContact CG2-CG1 3.71Å; V328-L333 HydrophobicContact CG1-CD1 3.75Å; V328-L333 HydrophobicContact CG1-CD2 3.9Å; V328-L333 HydrophobicContact CG1-CG 3.83Å; V328-L333 HydrophobicContact CG2-CD2 4.2Å; V328-L333 HydrophobicContact CG2-CG 4.38Å; V328-R354 VanDerWaalsContact O-CZ 3.3Å; V328-R354 PolarHBondContact O-NH1 3.04Å; V328-R354 PolarHBondContact O-NH2 3.25Å
329K96.8Very high94.2Very high44 Ų4438.8 Ų38.819%0.19121%0.207CC..  trans-68.7154.4178.4-69174.9-172.21770111.8Q316 Q317 V318 A319 L320 D331 V332 L333Q316-K329 WeakPolarHBondContact O-CE 3.43Å; Q316-K329 PolarHBondContact O-NZ 3.01Å; Q317-K329 VanDerWaalsContact C-NZ 3.3Å; Q317-K329 WeakPolarHBondContact O-CE 3.35Å; Q317-K329 PolarHBondContact O-NZ 3.47Å; V318-K329 PolarHBondContact O-N 2.75Å; A319-K329 WeakPolarHBondContact O-CE 3.48Å; L320-K329 HydrophobicContact CD1-CG 4.28Å; L320-K329 HydrophobicContact CG-CG 3.93Å; K329-D331 WeakPolarHBondContact CB-OD1 3.47Å; K329-V332 HydrophobicContact CB-CG2 4.22Å; K329-V332 PolarHBondContact O-N 3Å; K329-L333 PolarHBondContact O-N 3.42Å
330S95.3Very high93.7Very high1 Ų139.2 Ų39.21%0.00721%0.21CC..Hα-helixtrans-70.7-33.3-176.3-55.30000112.8V332 L333 Y334 C351 R354 D355S330-V332 VanDerWaalsContact C-N 3.3Å; S330-V332 PolarHBondContact O-N 2.89Å; S330-L333 PolarHBondContact O-N 3.17Å; S330-L333 VanDerWaalsContact O-N 3.14Å; S330-Y334 PolarHBondContact O-N 3.38Å; S330-C351 VanDerWaalsContact C-SG 3.54Å; S330-R354 WeakPolarHBondContact OG-CD 3.33Å; S330-R354 WeakPolarHBondContact OG-CG 3.46Å; S330-R354 PolarHBondContact OG-NH1 3.43Å; S330-D355 VanDerWaalsContact CB-OD1 3.28Å; S330-D355 WeakPolarHBondContact CB-OD1 3.28Å; S330-D355 PolarHBondContact OG-OD1 3.21Å
331D93.8Very high93Very high99 Ų9943.2 Ų43.253%0.52925%0.245SC..Hα-helixtrans-69.4-23.2175.762.6-17.3000114K329K329-D331 WeakPolarHBondContact CB-OD1 3.47Å
332V93.6Very high92.2Very high28 Ų2849 Ų4917%0.1727%0.271CS..Hα-helixtrans-77.3-24.5171.7176.90000112V318 V328 K329 S330V318-V332 HydrophobicContact CB-CG2 4.15Å; V318-V332 HydrophobicContact CG1-CG2 4.38Å; V328-V332 HydrophobicContact CG2-CB 3.93Å; V328-V332 HydrophobicContact CG2-CG1 3.71Å; K329-V332 HydrophobicContact CB-CG2 4.22Å; K329-V332 PolarHBondContact O-N 3Å; S330-V332 VanDerWaalsContact C-N 3.3Å; S330-V332 PolarHBondContact O-N 2.89Å
333L91.9Very high91.7Very high25 Ų2551.1 Ų51.113%0.13129%0.286CS..Hα-helixtrans-91.7-42.7175.9-65.3-169.7000112.9K288 K291 V328 K329 S330 P335K288-L333 HydrophobicContact CG-CD2 4.1Å; K291-L333 HydrophobicContact CD-CD1 4.27Å; K291-L333 HydrophobicContact CD-CD2 4.14Å; V328-L333 HydrophobicContact CG1-CD1 3.75Å; V328-L333 HydrophobicContact CG1-CD2 3.9Å; V328-L333 HydrophobicContact CG1-CG 3.83Å; V328-L333 HydrophobicContact CG2-CD2 4.2Å; V328-L333 HydrophobicContact CG2-CG 4.38Å; K329-L333 PolarHBondContact O-N 3.42Å; S330-L333 PolarHBondContact O-N 3.17Å; S330-L333 VanDerWaalsContact O-N 3.14Å; L333-P335 WeakPolarHBondContact O-CD 3.48Å
334Y92.4Very high91.4Very high23 Ų2351.9 Ų51.99%0.0930%0.302CS..SBendtrans-121.587-179-44.9-77000109S330 L350 E385 F386S330-Y334 PolarHBondContact O-N 3.38Å; Y334-L350 HydrophobicContact CD1-CD1 3.88Å; Y334-L350 HydrophobicContact CD2-CB 4.31Å; Y334-L350 HydrophobicContact CE1-CD1 4.21Å; Y334-L350 HydrophobicContact CG-CB 4.38Å; Y334-L350 HydrophobicContact CG-CD1 4.21Å; Y334-E385 PolarHBondContact OH-OE1 3.46Å; Y334-F386 AromaticContact CE2-CE1 3.98Å; Y334-F386 HydrophobicContact CE2-CE1 3.98Å; Y334-F386 AromaticContact CZ-CE1 3.9Å
335P90.2Very high91.3Very high67 Ų6753 Ų5344%0.43531%0.309SS..  trans-61.6157.5175.5-22.834.2000111.8L333 T338 A347L333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-T338 HydrophobicContact CB-CG2 4.34Å; P335-T338 WeakPolarHBondContact O-CB 3.39Å; P335-T338 PolarHBondContact O-N 2.97Å; P335-T338 PolarHBondContact O-OG1 3.29Å; P335-A347 VanDerWaalsContact O-CB 3.23Å; P335-A347 WeakPolarHBondContact O-CB 3.42Å
336K88.1Confident91.2Very high172 Ų17255.8 Ų55.875%0.74833%0.327SS*.THydrogen-bonded Turntrans-52.7146.3172.8-63.6-175.8-179.9-178.30111T338 E348K336-T338 VanDerWaalsContact C-N 3.26Å; K336-T338 PolarHBondContact O-N 2.81Å; K336-E348 WeakPolarHBondContact CA-OE1 3.38Å
337N86.9Confident90.9Very high157 Ų15755.9 Ų55.984%0.8433%0.327SS*.THydrogen-bonded Turntrans63.823.6-176.3-44-30.7000114.6
338T89.9Confident90.6Very high53 Ų5359.1 Ų59.133%0.32534%0.342SS..  trans-112.7167166.468.30000110.8P335 K336 A347P335-T338 HydrophobicContact CB-CG2 4.34Å; P335-T338 WeakPolarHBondContact O-CB 3.39Å; P335-T338 PolarHBondContact O-N 2.97Å; P335-T338 PolarHBondContact O-OG1 3.29Å; K336-T338 VanDerWaalsContact C-N 3.26Å; K336-T338 PolarHBondContact O-N 2.81Å; T338-A347 VanDerWaalsContact O-CB 3.25Å; T338-A347 WeakPolarHBondContact O-CB 3.21Å; T338-A347 PolarHBondContact O-N 2.94Å
339C90.4Very high90.4Very high74 Ų7461.8 Ų61.850%0.536%0.359SS..BIsolated β-bridgetrans-136163.8-179.9-65.70000110.9A341 G344 V345C339-A341 PolarHBondContact O-N 2.83Å; C339-G344 WeakPolarHBondContact CB-O 3.41Å; C339-V345 CarbonylContact C-O 3.59Å; C339-V345 VanDerWaalsContact CA-O 3.25Å; C339-V345 WeakPolarHBondContact CA-O 3.39Å
340S87.1Confident90.2Very high9 Ų959.7 Ų59.76%0.06335%0.349CS..  trans-58.3133.2172.6170.40000110.9H342 S343 G344 V345 D382S340-H342 PolarHBondContact O-N 2.93Å; S340-H342 PolarHBondContact OG-N 3.42Å; S340-S343 WeakPolarHBondContact CB-OG 3.36Å; S340-S343 PolarHBondContact OG-N 2.75Å; S340-S343 VanDerWaalsContact OG-N 3.07Å; S340-S343 PolarHBondContact OG-OG 3.18Å; S340-G344 WeakPolarHBondContact O-CA 3.5Å; S340-G344 PolarHBondContact O-N 2.88Å; S340-V345 PolarHBondContact N-O 3.28Å; S340-D382 VanDerWaalsContact CB-OD1 3.27Å; S340-D382 WeakPolarHBondContact CB-OD1 3.39Å; S340-D382 PolarHBondContact OG-OD1 2.9Å
341A82.4Confident90.2Very high99 Ų9960.6 Ų60.682%0.81836%0.355SS*.THydrogen-bonded Turntrans-70.1-12.3172.700000113C339C339-A341 PolarHBondContact O-N 2.83Å
342H81.4Confident90.2Very high138 Ų13861.6 Ų61.664%0.63935%0.352SS*.THydrogen-bonded Turntrans-104.5-39.1-178.8-63-52.1000112.9S340 E385S340-H342 PolarHBondContact O-N 2.93Å; S340-H342 PolarHBondContact OG-N 3.42Å; H342-E385 IonicContact CD2-OE2 2.79Å
343S86.7Confident90.2Very high45 Ų4560.2 Ų60.232%0.31534%0.344SS..THydrogen-bonded Turntrans-122.7-9.2-170.668.30000115.4S340 V345 D382S340-S343 WeakPolarHBondContact CB-OG 3.36Å; S340-S343 PolarHBondContact OG-N 2.75Å; S340-S343 VanDerWaalsContact OG-N 3.07Å; S340-S343 PolarHBondContact OG-OG 3.18Å; S343-V345 PolarHBondContact O-N 3.14Å; S343-V345 WeakPolarHBondContact OG-CB 3.33Å; S343-V345 VanDerWaalsContact OG-CG2 3.26Å; S343-V345 WeakPolarHBondContact OG-CG2 3.43Å; S343-V345 PolarHBondContact OG-N 3.16Å; S343-D382 VanDerWaalsContact CB-OD2 3.29Å; S343-D382 WeakPolarHBondContact CB-OD2 3.41Å; S343-D382 VanDerWaalsContact OG-CG 3.24Å; S343-D382 PolarHBondContact OG-OD1 3.37Å; S343-D382 VanDerWaalsContact OG-OD1 3.11Å; S343-D382 PolarHBondContact OG-OD2 2.67Å
344G88.2Confident90.4Very high47 Ų4759.1 Ų59.149%0.48534%0.337SS..  trans70.82.3-173.900000115.1C339 S340C339-G344 WeakPolarHBondContact CB-O 3.41Å; S340-G344 WeakPolarHBondContact O-CA 3.5Å; S340-G344 PolarHBondContact O-N 2.88Å
345V92.4Very high90.5Very high26 Ų2659.8 Ų59.816%0.15834%0.343CS..  trans-61.2133.3178.4171.30000111.1C339 S340 S343 V349 L350 L378 P379C339-V345 CarbonylContact C-O 3.59Å; C339-V345 VanDerWaalsContact CA-O 3.25Å; C339-V345 WeakPolarHBondContact CA-O 3.39Å; S340-V345 PolarHBondContact N-O 3.28Å; S343-V345 PolarHBondContact O-N 3.14Å; S343-V345 WeakPolarHBondContact OG-CB 3.33Å; S343-V345 VanDerWaalsContact OG-CG2 3.26Å; S343-V345 WeakPolarHBondContact OG-CG2 3.43Å; S343-V345 PolarHBondContact OG-N 3.16Å; V345-V349 HydrophobicContact CG1-CB 3.79Å; V345-V349 HydrophobicContact CG1-CG1 4.15Å; V345-V349 HydrophobicContact CG1-CG2 4.45Å; V345-L350 HydrophobicContact CB-CD2 4.03Å; V345-L350 HydrophobicContact CB-CG 4.45Å; V345-L350 HydrophobicContact CG1-CD2 3.84Å; V345-L350 HydrophobicContact CG1-CG 4.06Å; V345-L378 HydrophobicContact CG1-CD2 3.79Å; V345-L378 HydrophobicContact CG2-CD2 4.47Å; V345-P379 HydrophobicContact CG2-CG 4.1Å
346P93.6Very high90.7Very high61 Ų6156.6 Ų56.640%0.39632%0.322SS..BIsolated β-bridgetrans-63146-179.7-24.634.5000114.8E348 V349 L350P346-E348 PolarHBondContact O-N 3.32Å; P346-E348 VanDerWaalsContact O-N 3.16Å; P346-V349 HydrophobicContact CB-CG2 4.43Å; P346-V349 WeakPolarHBondContact O-CB 3.2Å; P346-V349 PolarHBondContact O-N 2.86Å; P346-L350 PolarHBondContact O-N 2.79Å; P346-L350 VanDerWaalsContact O-N 3.11Å
347A92.9Very high91.1Very high1 Ų148.4 Ų48.41%0.00829%0.287CS..Hα-helixtrans-52.2-37.4-178.900000114.1P335 T338 V349 L350 C351P335-A347 VanDerWaalsContact O-CB 3.23Å; P335-A347 WeakPolarHBondContact O-CB 3.42Å; T338-A347 VanDerWaalsContact O-CB 3.25Å; T338-A347 WeakPolarHBondContact O-CB 3.21Å; T338-A347 PolarHBondContact O-N 2.94Å; A347-V349 PolarHBondContact O-N 2.86Å; A347-L350 PolarHBondContact O-N 3.16Å; A347-C351 WeakPolarHBondContact O-CB 3.32Å; A347-C351 PolarHBondContact O-N 3.49Å; A347-C351 PolarHBondContact O-SG 3.07Å
348E91.8Very high91.5Very high71 Ų7141.1 Ų41.133%0.33225%0.247SC..Hα-helixtrans-65-25.9179.4-65.871.2-15800112.7K336 P346 R352K336-E348 WeakPolarHBondContact CA-OE1 3.38Å; P346-E348 PolarHBondContact O-N 3.32Å; P346-E348 VanDerWaalsContact O-N 3.16Å; E348-R352 WeakPolarHBondContact O-CD 3.44Å; E348-R352 WeakPolarHBondContact O-CG 3.46Å; E348-R352 PolarHBondContact O-NE 3.32Å
349V92.3Very high91.7Very high58 Ų5839.2 Ų39.235%0.35223%0.234SC..Hα-helixtrans-86.4-44.2175.4-165.50000110V345 P346 A347 C351 R352 G353 L378V345-V349 HydrophobicContact CG1-CB 3.79Å; V345-V349 HydrophobicContact CG1-CG1 4.15Å; V345-V349 HydrophobicContact CG1-CG2 4.45Å; P346-V349 HydrophobicContact CB-CG2 4.43Å; P346-V349 WeakPolarHBondContact O-CB 3.2Å; P346-V349 PolarHBondContact O-N 2.86Å; A347-V349 PolarHBondContact O-N 2.86Å; V349-C351 VanDerWaalsContact C-N 3.28Å; V349-C351 PolarHBondContact O-N 3.45Å; V349-R352 PolarHBondContact O-N 3.01Å; V349-G353 PolarHBondContact O-N 3.04Å; V349-L378 HydrophobicContact CG1-CD2 3.86Å
350L93Very high91.9Very high0 Ų036.3 Ų36.30%021%0.213CC..Hα-helixtrans-55.8-43.1174.2-63176.5000111.6Y334 V345 P346 A347 R352 G353 R354 D382 F386Y334-L350 HydrophobicContact CD1-CD1 3.88Å; Y334-L350 HydrophobicContact CD2-CB 4.31Å; Y334-L350 HydrophobicContact CE1-CD1 4.21Å; Y334-L350 HydrophobicContact CG-CB 4.38Å; Y334-L350 HydrophobicContact CG-CD1 4.21Å; V345-L350 HydrophobicContact CB-CD2 4.03Å; V345-L350 HydrophobicContact CB-CG 4.45Å; V345-L350 HydrophobicContact CG1-CD2 3.84Å; V345-L350 HydrophobicContact CG1-CG 4.06Å; P346-L350 PolarHBondContact O-N 2.79Å; P346-L350 VanDerWaalsContact O-N 3.11Å; A347-L350 PolarHBondContact O-N 3.16Å; L350-R352 PolarHBondContact O-N 3.22Å; L350-G353 PolarHBondContact O-N 3.37Å; L350-R354 VanDerWaalsContact O-CB 3.32Å; L350-R354 WeakPolarHBondContact O-CB 3.14Å; L350-R354 PolarHBondContact O-N 3.33Å; L350-D382 HydrophobicContact CD2-CB 4.08Å; L350-F386 HydrophobicContact CB-CE1 4.41Å; L350-F386 HydrophobicContact CB-CZ 3.92Å; L350-F386 HydrophobicContact CD2-CE1 4.33Å; L350-F386 HydrophobicContact CD2-CZ 3.8Å; L350-F386 HydrophobicContact CG-CZ 4.46Å; L350-F386 WeakPolarHBondContact O-CZ 3.4Å
351C94.6Very high92.2Very high19 Ų1935.9 Ų35.913%0.12821%0.21CC..Hα-helixtrans-60.7-45.7178.1-71.40000111.9S330 A347 V349 G353 R354 D355S330-C351 VanDerWaalsContact C-SG 3.54Å; A347-C351 WeakPolarHBondContact O-CB 3.32Å; A347-C351 PolarHBondContact O-N 3.49Å; A347-C351 PolarHBondContact O-SG 3.07Å; V349-C351 VanDerWaalsContact C-N 3.28Å; V349-C351 PolarHBondContact O-N 3.45Å; C351-G353 PolarHBondContact O-N 3.23Å; C351-R354 PolarHBondContact O-N 3.1Å; C351-D355 VanDerWaalsContact O-CB 3.23Å; C351-D355 WeakPolarHBondContact O-CB 3.26Å; C351-D355 PolarHBondContact O-N 3.4Å
352R93.7Very high92.8Very high120 Ų12033.2 Ų33.245%0.45318%0.183SC..Hα-helixtrans-64.3-41.4177.9-63.8170.1-160.4173.74.4111.9E348 V349 L350 F356 L431 F435E348-R352 WeakPolarHBondContact O-CD 3.44Å; E348-R352 WeakPolarHBondContact O-CG 3.46Å; E348-R352 PolarHBondContact O-NE 3.32Å; V349-R352 PolarHBondContact O-N 3.01Å; L350-R352 PolarHBondContact O-N 3.22Å; R352-F356 WeakPolarHBondContact O-CB 3.4Å; R352-F356 PolarHBondContact O-N 3.28Å; R352-L431 WeakPolarHBondContact O-CD2 3.35Å; R352-F435 HydrophobicContact CB-CE2 4.18Å; R352-F435 HydrophobicContact CB-CZ 4.08Å
353G94.3Very high93.2Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-64.7-42.6176.300000112.7V349 L350 C351 F356 V357V349-G353 PolarHBondContact O-N 3.04Å; L350-G353 PolarHBondContact O-N 3.37Å; C351-G353 PolarHBondContact O-N 3.23Å; G353-F356 PolarHBondContact O-N 3.25Å; G353-V357 WeakPolarHBondContact O-CG2 3.4Å; G353-V357 PolarHBondContact O-N 3.14Å
354R95.2Very high93.4Very high1 Ų133 Ų330%0.00418%0.178CC..Hα-helixtrans-69.7-43.3177-174.4173.9175-82-0.1112V328 S330 L350 C351 F356 V357 M358 F386V328-R354 VanDerWaalsContact O-CZ 3.3Å; V328-R354 PolarHBondContact O-NH1 3.04Å; V328-R354 PolarHBondContact O-NH2 3.25Å; S330-R354 WeakPolarHBondContact OG-CD 3.33Å; S330-R354 WeakPolarHBondContact OG-CG 3.46Å; S330-R354 PolarHBondContact OG-NH1 3.43Å; L350-R354 VanDerWaalsContact O-CB 3.32Å; L350-R354 WeakPolarHBondContact O-CB 3.14Å; L350-R354 PolarHBondContact O-N 3.33Å; C351-R354 PolarHBondContact O-N 3.1Å; R354-F356 PolarHBondContact O-N 2.99Å; R354-V357 WeakPolarHBondContact O-CA 3.29Å; R354-V357 WeakPolarHBondContact O-CB 3.41Å; R354-V357 PolarHBondContact O-N 3.42Å; R354-M358 HydrophobicContact CG-CE 3.53Å; R354-M358 HydrophobicContact CG-CG 4.47Å; R354-M358 WeakPolarHBondContact O-CG 3.46Å; R354-M358 PolarHBondContact O-N 2.91Å; R354-F386 HydrophobicContact CB-CD1 4.11Å; R354-F386 HydrophobicContact CB-CD2 3.81Å; R354-F386 HydrophobicContact CB-CE1 4.17Å; R354-F386 HydrophobicContact CB-CE2 3.86Å; R354-F386 HydrophobicContact CB-CG 3.95Å; R354-F386 HydrophobicContact CB-CZ 4.05Å; R354-F386 HydrophobicContact CG-CB 4.41Å; R354-F386 HydrophobicContact CG-CD1 4.25Å; R354-F386 HydrophobicContact CG-CD2 4.41Å; R354-F386 HydrophobicContact CG-CG 4.11Å
355D95.6Very high93.5Very high38 Ų3834.8 Ų34.820%0.20317%0.17CC..Hα-helixtrans-61.4-35.1176.8-68.8-10.3000111.2S330 C351 M358 W359 I427S330-D355 VanDerWaalsContact CB-OD1 3.28Å; S330-D355 WeakPolarHBondContact CB-OD1 3.28Å; S330-D355 PolarHBondContact OG-OD1 3.21Å; C351-D355 VanDerWaalsContact O-CB 3.23Å; C351-D355 WeakPolarHBondContact O-CB 3.26Å; C351-D355 PolarHBondContact O-N 3.4Å; D355-M358 PolarHBondContact O-N 3.23Å; D355-W359 WeakPolarHBondContact O-CB 3.28Å; D355-W359 PolarHBondContact O-N 3.26Å; D355-I427 HydrophobicContact CB-CG2 4.27Å
356F95Very high93.5Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-62.4-45.1169.7-179.3-94.3000112.5R352 G353 R354 M358 W359 R360 I372 I375 I376 L431 F435 F437R352-F356 WeakPolarHBondContact O-CB 3.4Å; R352-F356 PolarHBondContact O-N 3.28Å; G353-F356 PolarHBondContact O-N 3.25Å; R354-F356 PolarHBondContact O-N 2.99Å; F356-M358 VanDerWaalsContact C-N 3.35Å; F356-M358 PolarHBondContact O-N 3.33Å; F356-W359 HydrophobicContact CD2-CE3 4.01Å; F356-W359 HydrophobicContact CD2-CZ3 4.21Å; F356-W359 AromaticContact CE2-CE3 3.97Å; F356-W359 HydrophobicContact CE2-CE3 3.97Å; F356-W359 AromaticContact CE2-CZ3 3.71Å; F356-W359 HydrophobicContact CE2-CZ3 3.71Å; F356-W359 HydrophobicContact CZ-CZ3 4.38Å; F356-W359 PolarHBondContact O-N 3.41Å; F356-R360 HydrophobicContact CD1-CG 4.1Å; F356-R360 HydrophobicContact CE1-CG 3.66Å; F356-R360 HydrophobicContact CE2-CG 4.35Å; F356-R360 HydrophobicContact CZ-CG 3.79Å; F356-R360 WeakPolarHBondContact O-CG 3.48Å; F356-R360 PolarHBondContact O-N 2.89Å; F356-I372 HydrophobicContact CE1-CG1 4.42Å; F356-I375 HydrophobicContact CE1-CD1 4.04Å; F356-I375 HydrophobicContact CE1-CG2 4.34Å; F356-I375 HydrophobicContact CE2-CG2 4.22Å; F356-I375 HydrophobicContact CZ-CB 4.43Å; F356-I375 HydrophobicContact CZ-CD1 3.83Å; F356-I375 HydrophobicContact CZ-CG2 3.91Å; F356-I376 HydrophobicContact CB-CG2 3.97Å; F356-I376 HydrophobicContact CD1-CG2 3.45Å; F356-I376 VanDerWaalsContact CD1-CG2 3.45Å; F356-I376 HydrophobicContact CE1-CG2 4.07Å; F356-I376 HydrophobicContact CG-CG2 3.73Å; F356-L431 HydrophobicContact CB-CD1 4.2Å; F356-L431 HydrophobicContact CB-CD2 4.16Å; F356-L431 HydrophobicContact CD2-CD1 4.35Å; F356-F435 HydrophobicContact CB-CE2 4.38Å; F356-F435 HydrophobicContact CD2-CD2 4.47Å; F356-F437 AromaticContact CD2-CE1 3.82Å; F356-F437 HydrophobicContact CD2-CE1 3.82Å; F356-F437 HydrophobicContact CD2-CZ 4.11Å; F356-F437 AromaticContact CE2-CD1 3.89Å; F356-F437 HydrophobicContact CE2-CD1 3.89Å; F356-F437 AromaticContact CE2-CE1 3.53Å; F356-F437 HydrophobicContact CE2-CE1 3.53Å; F356-F437 HydrophobicContact CE2-CE2 4.36Å; F356-F437 HydrophobicContact CE2-CG 4.46Å; F356-F437 AromaticContact CE2-CZ 3.79Å; F356-F437 HydrophobicContact CE2-CZ 3.79Å
357V94.8Very high93.5Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-60.3-44.1175.2173.30000111.2G353 R354 R360 F361 I372 F386 L387G353-V357 WeakPolarHBondContact O-CG2 3.4Å; G353-V357 PolarHBondContact O-N 3.14Å; R354-V357 WeakPolarHBondContact O-CA 3.29Å; R354-V357 WeakPolarHBondContact O-CB 3.41Å; R354-V357 PolarHBondContact O-N 3.42Å; V357-R360 PolarHBondContact O-N 3.4Å; V357-F361 HydrophobicContact CG1-CD2 4.01Å; V357-F361 HydrophobicContact CG1-CE2 3.71Å; V357-F361 VanDerWaalsContact O-CD2 3.24Å; V357-F361 WeakPolarHBondContact O-CD2 3.43Å; V357-F361 PolarHBondContact O-N 2.73Å; V357-F361 VanDerWaalsContact O-N 3.15Å; V357-I372 HydrophobicContact CG2-CD1 4.26Å; V357-I372 HydrophobicContact CG2-CG2 3.72Å; V357-F386 HydrophobicContact CG2-CD2 4.46Å; V357-L387 HydrophobicContact CG1-CD2 3.73Å; V357-L387 HydrophobicContact CG1-CG 4.46Å
358M95.7Very high93.4Very high3 Ų335.1 Ų35.12%0.01517%0.172CC..Hα-helixtrans-66.5-39178.7-58.2-43.3135.400112.5V327 R354 D355 F356 F361 T362 V390 W424V327-M358 HydrophobicContact CG1-CG 4.3Å; V327-M358 HydrophobicContact CG1-SD 3.84Å; R354-M358 HydrophobicContact CG-CE 3.53Å; R354-M358 HydrophobicContact CG-CG 4.47Å; R354-M358 WeakPolarHBondContact O-CG 3.46Å; R354-M358 PolarHBondContact O-N 2.91Å; D355-M358 PolarHBondContact O-N 3.23Å; F356-M358 VanDerWaalsContact C-N 3.35Å; F356-M358 PolarHBondContact O-N 3.33Å; M358-F361 CarbonylContact O-C 3.56Å; M358-F361 PolarHBondContact O-N 2.87Å; M358-T362 PolarHBondContact O-N 2.85Å; M358-V390 HydrophobicContact CE-CB 4.32Å; M358-V390 HydrophobicContact CE-CG1 3.64Å; M358-V390 HydrophobicContact CE-CG2 3.74Å; M358-V390 HydrophobicContact SD-CB 4.2Å; M358-V390 HydrophobicContact SD-CG1 3.7Å; M358-V390 HydrophobicContact SD-CG2 3.84Å; M358-W424 HydrophobicContact CB-CH2 3.49Å; M358-W424 VanDerWaalsContact CB-CH2 3.49Å; M358-W424 HydrophobicContact CB-CZ2 4.22Å; M358-W424 HydrophobicContact CB-CZ3 4.17Å
359W95.3Very high93.3Very high13 Ų1335.2 Ų35.25%0.04917%0.169CC..Hα-helixtrans-66.4-38.8173.4171.475.4000112.5D355 F356 F361 T362 Q363 W424 Q428 L431 F437D355-W359 WeakPolarHBondContact O-CB 3.28Å; D355-W359 PolarHBondContact O-N 3.26Å; F356-W359 HydrophobicContact CD2-CE3 4.01Å; F356-W359 HydrophobicContact CD2-CZ3 4.21Å; F356-W359 AromaticContact CE2-CE3 3.97Å; F356-W359 HydrophobicContact CE2-CE3 3.97Å; F356-W359 AromaticContact CE2-CZ3 3.71Å; F356-W359 HydrophobicContact CE2-CZ3 3.71Å; F356-W359 HydrophobicContact CZ-CZ3 4.38Å; F356-W359 PolarHBondContact O-N 3.41Å; W359-F361 PolarHBondContact O-N 2.92Å; W359-T362 PolarHBondContact O-N 2.89Å; W359-T362 PolarHBondContact O-OG1 3.33Å; W359-Q363 HydrophobicContact CZ2-CG 4.26Å; W359-Q363 PolarHBondContact O-N 3.19Å; W359-W424 HydrophobicContact CB-CE3 4.09Å; W359-W424 HydrophobicContact CB-CZ3 4.1Å; W359-Q428 HydrophobicContact CZ2-CG 3.96Å; W359-L431 HydrophobicContact CB-CD1 4.1Å; W359-L431 HydrophobicContact CG-CD1 4.34Å; W359-F437 HydrophobicContact CH2-CD2 4.42Å; W359-F437 AromaticContact CH2-CE2 3.57Å; W359-F437 HydrophobicContact CH2-CE2 3.57Å; W359-F437 HydrophobicContact CH2-CZ 4.14Å; W359-F437 HydrophobicContact CZ2-CE2 4.45Å; W359-F437 AromaticContact CZ3-CE2 3.7Å; W359-F437 HydrophobicContact CZ3-CE2 3.7Å; W359-F437 AromaticContact CZ3-CZ 3.88Å; W359-F437 HydrophobicContact CZ3-CZ 3.88Å
360R93.1Very high93.1Very high13 Ų1341.1 Ų41.15%0.04919%0.19CC..Hα-helixtrans-59.4-36.1172.1-68.3-68.7-69.1125.23.8111.1F356 V357 T362 Q363 E364 V367F356-R360 HydrophobicContact CD1-CG 4.1Å; F356-R360 HydrophobicContact CE1-CG 3.66Å; F356-R360 HydrophobicContact CE2-CG 4.35Å; F356-R360 HydrophobicContact CZ-CG 3.79Å; F356-R360 WeakPolarHBondContact O-CG 3.48Å; F356-R360 PolarHBondContact O-N 2.89Å; V357-R360 PolarHBondContact O-N 3.4Å; R360-T362 VanDerWaalsContact C-N 3.32Å; R360-T362 PolarHBondContact O-N 3.15Å; R360-Q363 PolarHBondContact O-N 3.03Å; R360-Q363 VanDerWaalsContact O-N 3.15Å; R360-E364 IonicContact CZ-OE1 3.57Å; R360-E364 VanDerWaalsContact CZ-OE1 3.24Å; R360-E364 IonicContact CZ-OE2 2.72Å; R360-E364 IonicContact NH1-OE1 3.45Å; R360-E364 PolarHBondContact NH1-OE1 3.4Å; R360-E364 IonicContact NH1-OE2 2.74Å; R360-E364 IonicContact NH2-OE1 3.69Å; R360-E364 PolarHBondContact NH2-OE1 3.01Å; R360-E364 IonicContact NH2-OE2 3.49Å; R360-E364 PolarHBondContact NH2-OE2 2.74Å; R360-E364 PolarHBondContact O-N 3.39Å; R360-V367 HydrophobicContact CB-CG1 3.93Å
361F95.3Very high92.9Very high0 Ų045.6 Ų45.60%021%0.211CC..Hα-helixtrans-72.3-10.6172.1-72.7-58.2000115.7V322 Q323 V357 M358 W359 E364 V367 L387 V390 A391 F401V322-F361 HydrophobicContact CG1-CB 3.78Å; Q323-F361 WeakPolarHBondContact CG-O 3.3Å; Q323-F361 PolarHBondContact NE2-O 2.68Å; V357-F361 HydrophobicContact CG1-CD2 4.01Å; V357-F361 HydrophobicContact CG1-CE2 3.71Å; V357-F361 VanDerWaalsContact O-CD2 3.24Å; V357-F361 WeakPolarHBondContact O-CD2 3.43Å; V357-F361 PolarHBondContact O-N 2.73Å; V357-F361 VanDerWaalsContact O-N 3.15Å; M358-F361 CarbonylContact O-C 3.56Å; M358-F361 PolarHBondContact O-N 2.87Å; W359-F361 PolarHBondContact O-N 2.92Å; F361-E364 WeakPolarHBondContact CA-O 3.47Å; F361-V367 HydrophobicContact CD1-CG1 4.13Å; F361-V367 HydrophobicContact CE1-CB 4.43Å; F361-V367 HydrophobicContact CE1-CG1 3.95Å; F361-V367 HydrophobicContact CE1-CG2 3.77Å; F361-V367 HydrophobicContact CE2-CG2 4.07Å; F361-V367 HydrophobicContact CZ-CG1 4.33Å; F361-V367 HydrophobicContact CZ-CG2 3.42Å; F361-V367 VanDerWaalsContact CZ-CG2 3.42Å; F361-L387 HydrophobicContact CE2-CD2 3.93Å; F361-L387 HydrophobicContact CZ-CD2 3.99Å; F361-V390 HydrophobicContact CD2-CG2 4.04Å; F361-V390 HydrophobicContact CE2-CG2 3.67Å; F361-A391 HydrophobicContact CE1-CB 4.34Å; F361-A391 HydrophobicContact CE2-CB 4.03Å; F361-A391 HydrophobicContact CZ-CB 3.51Å; F361-F401 HydrophobicContact CB-CD2 4.21Å; F361-F401 HydrophobicContact CD1-CB 3.86Å; F361-F401 HydrophobicContact CD1-CD2 4.21Å; F361-F401 HydrophobicContact CD1-CG 4.46Å; F361-F401 HydrophobicContact CD2-CD2 4.31Å; F361-F401 HydrophobicContact CE1-CB 4.06Å; F361-F401 HydrophobicContact CG-CD2 4.02Å
362T93.9Very high92.6Very high43 Ų4344.8 Ų44.826%0.26421%0.206SC..Hα-helixtrans-80.5-21.9166670000112.4V322 M358 W359 R360 W424V322-T362 HydrophobicContact CG1-CG2 4.2Å; V322-T362 HydrophobicContact CG2-CG2 4.27Å; M358-T362 PolarHBondContact O-N 2.85Å; W359-T362 PolarHBondContact O-N 2.89Å; W359-T362 PolarHBondContact O-OG1 3.33Å; R360-T362 VanDerWaalsContact C-N 3.32Å; R360-T362 PolarHBondContact O-N 3.15Å; T362-W424 HydrophobicContact CG2-CD2 4.06Å; T362-W424 HydrophobicContact CG2-CG 4.1Å
363Q90.1Very high92.4Very high110 Ų11040.1 Ų40.151%0.51419%0.193SC..Hα-helixtrans-95.4-40.8-179.5-52.8-47.6110.700113W359 R360W359-Q363 HydrophobicContact CZ2-CG 4.26Å; W359-Q363 PolarHBondContact O-N 3.19Å; R360-Q363 PolarHBondContact O-N 3.03Å; R360-Q363 VanDerWaalsContact O-N 3.15Å
364E90.8Very high92.1Very high70 Ų7044 Ų4433%0.32722%0.22SC..  trans-131.7149.2-172.9-80.1155.7-123.600111.8Q323 R360 F361Q323-E364 PolarHBondContact NE2-O 3.12Å; R360-E364 IonicContact CZ-OE1 3.57Å; R360-E364 VanDerWaalsContact CZ-OE1 3.24Å; R360-E364 IonicContact CZ-OE2 2.72Å; R360-E364 IonicContact NH1-OE1 3.45Å; R360-E364 PolarHBondContact NH1-OE1 3.4Å; R360-E364 IonicContact NH1-OE2 2.74Å; R360-E364 IonicContact NH2-OE1 3.69Å; R360-E364 PolarHBondContact NH2-OE1 3.01Å; R360-E364 IonicContact NH2-OE2 3.49Å; R360-E364 PolarHBondContact NH2-OE2 2.74Å; R360-E364 PolarHBondContact O-N 3.39Å; F361-E364 WeakPolarHBondContact CA-O 3.47Å
365R90.9Very high91.8Very high84 Ų8445.1 Ų45.132%0.31723%0.226SC..SBendtrans-77.9-25.5179.5-173.2163.8174.371.714.6113.7E400 F401 L403R365-E400 HydrophobicContact CG-CG 4.06Å; R365-E400 IonicContact CZ-OE1 2.67Å; R365-E400 IonicContact NE-OE1 2.77Å; R365-E400 PolarHBondContact NE-OE1 2.7Å; R365-E400 IonicContact NH2-OE1 3.2Å; R365-E400 PolarHBondContact NH2-OE1 3.33Å; R365-F401 PolarHBondContact NH2-O 3.31Å; R365-F401 PolarHBondContact O-N 2.76Å; R365-L403 PolarHBondContact NH1-O 2.87Å; R365-L403 PolarHBondContact NH2-O 2.9Å; R365-L403 VanDerWaalsContact NH2-O 3.15Å
366S92.8Very high91.5Very high36 Ų3643.7 Ų43.725%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-135149.9178.2-59.10000111.9R397 W399S366-R397 WeakPolarHBondContact CB-O 3.43Å; S366-W399 CarbonylContact C-O 3.6Å; S366-W399 WeakPolarHBondContact CA-O 3.03Å
367V93Very high91.2Very high4 Ų452.3 Ų52.32%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-137153.1-176.7-58.90000112.6R360 F361 I372 L387 W399R360-V367 HydrophobicContact CB-CG1 3.93Å; F361-V367 HydrophobicContact CD1-CG1 4.13Å; F361-V367 HydrophobicContact CE1-CB 4.43Å; F361-V367 HydrophobicContact CE1-CG1 3.95Å; F361-V367 HydrophobicContact CE1-CG2 3.77Å; F361-V367 HydrophobicContact CE2-CG2 4.07Å; F361-V367 HydrophobicContact CZ-CG1 4.33Å; F361-V367 HydrophobicContact CZ-CG2 3.42Å; F361-V367 VanDerWaalsContact CZ-CG2 3.42Å; V367-I372 HydrophobicContact CB-CD1 3.7Å; V367-I372 HydrophobicContact CG2-CD1 3.47Å; V367-I372 VanDerWaalsContact CG2-CD1 3.47Å; V367-L387 HydrophobicContact CG2-CD2 3.7Å; V367-W399 HydrophobicContact CG2-CB 4.27Å; V367-W399 PolarHBondContact N-O 2.74Å; V367-W399 PolarHBondContact O-N 2.96Å
368V91.1Very high91Very high54 Ų5452.9 Ų52.933%0.32726%0.259SS..  trans-102.1119-179.4-175.60000111.1K370 E371 I372V368-K370 HydrophobicContact CG1-CB 4.26Å; V368-K370 PolarHBondContact O-N 2.85Å; V368-K370 VanDerWaalsContact O-N 3.16Å; V368-E371 HydrophobicContact CB-CB 4.31Å; V368-E371 HydrophobicContact CB-CG 4.1Å; V368-E371 HydrophobicContact CG1-CG 4.3Å; V368-E371 PolarHBondContact O-N 3.13Å; V368-E371 VanDerWaalsContact O-N 3.14Å; V368-I372 PolarHBondContact O-N 3.48Å; V368-I372 VanDerWaalsContact O-N 3.13Å
369R89.4Confident90.8Very high73 Ų7354.7 Ų54.728%0.27527%0.27SS..Hα-helixtrans-55.2-34-179.3179.6174.4167.6-136.81.9113.6A373 P380 V383 L387R369-A373 VanDerWaalsContact O-CB 3.27Å; R369-A373 WeakPolarHBondContact O-CB 3.17Å; R369-A373 PolarHBondContact O-N 2.87Å; R369-P380 VanDerWaalsContact CZ-O 3.31Å; R369-P380 PolarHBondContact NE-O 3.41Å; R369-P380 VanDerWaalsContact NE-O 3.07Å; R369-P380 VanDerWaalsContact NH2-C 3.28Å; R369-P380 PolarHBondContact NH2-O 2.57Å; R369-V383 HydrophobicContact CG-CG1 4.12Å; R369-L387 HydrophobicContact CB-CD1 3.83Å; R369-L387 HydrophobicContact CG-CD1 4.03Å
370K87.6Confident90.5Very high182 Ų18257 Ų5779%0.79129%0.287SS*.Hα-helixtrans-67.1-44.3178-70.1-172.1176.1-1760112.6V368 S374V368-K370 HydrophobicContact CG1-CB 4.26Å; V368-K370 PolarHBondContact O-N 2.85Å; V368-K370 VanDerWaalsContact O-N 3.16Å; K370-S374 PolarHBondContact O-N 3.11Å; K370-S374 VanDerWaalsContact O-N 3.16Å
371E87.9Confident90.4Very high94 Ų9461 Ų6144%0.43931%0.306SS..Hα-helixtrans-64.4-52.1178.2-69159.4-15800109.8V368 A373 S374 I375V368-E371 HydrophobicContact CB-CB 4.31Å; V368-E371 HydrophobicContact CB-CG 4.1Å; V368-E371 HydrophobicContact CG1-CG 4.3Å; V368-E371 PolarHBondContact O-N 3.13Å; V368-E371 VanDerWaalsContact O-N 3.14Å; E371-A373 VanDerWaalsContact C-N 3.35Å; E371-A373 PolarHBondContact O-N 3.26Å; E371-S374 PolarHBondContact O-N 2.96Å; E371-S374 VanDerWaalsContact O-N 3.14Å; E371-S374 PolarHBondContact O-OG 3.29Å; E371-I375 VanDerWaalsContact O-CD1 3.24Å; E371-I375 WeakPolarHBondContact O-CD1 3.45Å; E371-I375 WeakPolarHBondContact O-CG1 3.46Å; E371-I375 PolarHBondContact O-N 3.39Å
372I90.1Very high90.3Very high3 Ų361 Ų612%0.01531%0.306CS..Hα-helixtrans-51-52.8175.9-70166.2000111.2F356 V357 V367 V368 S374 I375 I376 V383 L387F356-I372 HydrophobicContact CE1-CG1 4.42Å; V357-I372 HydrophobicContact CG2-CD1 4.26Å; V357-I372 HydrophobicContact CG2-CG2 3.72Å; V367-I372 HydrophobicContact CB-CD1 3.7Å; V367-I372 HydrophobicContact CG2-CD1 3.47Å; V367-I372 VanDerWaalsContact CG2-CD1 3.47Å; V368-I372 PolarHBondContact O-N 3.48Å; V368-I372 VanDerWaalsContact O-N 3.13Å; I372-S374 VanDerWaalsContact C-N 3.3Å; I372-S374 PolarHBondContact O-N 2.9Å; I372-I375 PolarHBondContact O-N 3.38Å; I372-I375 VanDerWaalsContact O-N 3.17Å; I372-I376 HydrophobicContact CG2-CD1 3.62Å; I372-I376 HydrophobicContact CG2-CG1 4.28Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 3.39Å; I372-V383 HydrophobicContact CB-CG1 4.25Å; I372-V383 HydrophobicContact CG2-CG1 3.54Å; I372-L387 HydrophobicContact CD1-CD2 4.34Å
373A89.1Confident90.3Very high22 Ų2259 Ų5918%0.18229%0.294CS..Hα-helixtrans-61.3-36.1-177.200000113R369 E371 I375 K377 V383R369-A373 VanDerWaalsContact O-CB 3.27Å; R369-A373 WeakPolarHBondContact O-CB 3.17Å; R369-A373 PolarHBondContact O-N 2.87Å; E371-A373 VanDerWaalsContact C-N 3.35Å; E371-A373 PolarHBondContact O-N 3.26Å; A373-I375 VanDerWaalsContact C-N 3.31Å; A373-I375 PolarHBondContact O-N 3.39Å; A373-K377 WeakPolarHBondContact O-CA 3.26Å; A373-K377 PolarHBondContact O-N 3.14Å; A373-V383 HydrophobicContact CB-CG2 4.25Å
374S87.9Confident90.4Very high82 Ų8257.4 Ų57.457%0.57329%0.285SS*.Hα-helixtrans-67.3-31.1178.274.50000113.3K370 E371 I372K370-S374 PolarHBondContact O-N 3.11Å; K370-S374 VanDerWaalsContact O-N 3.16Å; E371-S374 PolarHBondContact O-N 2.96Å; E371-S374 VanDerWaalsContact O-N 3.14Å; E371-S374 PolarHBondContact O-OG 3.29Å; I372-S374 VanDerWaalsContact C-N 3.3Å; I372-S374 PolarHBondContact O-N 2.9Å
375I88.1Confident90.5Very high24 Ų2455.9 Ų55.912%0.12328%0.278CS..Hα-helixtrans-80.2-55.4-179.9-57.2151.3000110.4F356 E371 I372 A373 K377 F435 F437 F442F356-I375 HydrophobicContact CE1-CD1 4.04Å; F356-I375 HydrophobicContact CE1-CG2 4.34Å; F356-I375 HydrophobicContact CE2-CG2 4.22Å; F356-I375 HydrophobicContact CZ-CB 4.43Å; F356-I375 HydrophobicContact CZ-CD1 3.83Å; F356-I375 HydrophobicContact CZ-CG2 3.91Å; E371-I375 VanDerWaalsContact O-CD1 3.24Å; E371-I375 WeakPolarHBondContact O-CD1 3.45Å; E371-I375 WeakPolarHBondContact O-CG1 3.46Å; E371-I375 PolarHBondContact O-N 3.39Å; I372-I375 PolarHBondContact O-N 3.38Å; I372-I375 VanDerWaalsContact O-N 3.17Å; A373-I375 VanDerWaalsContact C-N 3.31Å; A373-I375 PolarHBondContact O-N 3.39Å; I375-K377 VanDerWaalsContact C-N 3.31Å; I375-K377 PolarHBondContact O-N 3.35Å; I375-F435 HydrophobicContact CG2-CB 4.1Å; I375-F437 HydrophobicContact CG2-CD1 4.26Å; I375-F442 HydrophobicContact CD1-CE1 3.47Å; I375-F442 VanDerWaalsContact CD1-CE1 3.47Å; I375-F442 HydrophobicContact CD1-CE2 4.41Å; I375-F442 HydrophobicContact CD1-CZ 3.35Å; I375-F442 HydrophobicContact CG1-CE1 4.33Å; I375-F442 HydrophobicContact CG1-CZ 4.01Å
376I90.4Very high90.6Very high7 Ų751.9 Ų51.94%0.03626%0.263CS..Hα-helixtrans-81.8-10.9-172.773.2-173.8000113.6F356 I372 L378 V383 F435F356-I376 HydrophobicContact CB-CG2 3.97Å; F356-I376 HydrophobicContact CD1-CG2 3.45Å; F356-I376 VanDerWaalsContact CD1-CG2 3.45Å; F356-I376 HydrophobicContact CE1-CG2 4.07Å; F356-I376 HydrophobicContact CG-CG2 3.73Å; I372-I376 HydrophobicContact CG2-CD1 3.62Å; I372-I376 HydrophobicContact CG2-CG1 4.28Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 3.39Å; I376-L378 HydrophobicContact CD1-CB 4.43Å; I376-L378 HydrophobicContact CD1-CD1 4Å; I376-L378 HydrophobicContact CD1-CG 4.39Å; I376-L378 HydrophobicContact CG1-CB 4.12Å; I376-L378 HydrophobicContact CG1-CD1 4.28Å; I376-L378 HydrophobicContact CG1-CG 4.14Å; I376-L378 PolarHBondContact O-N 2.97Å; I376-L378 VanDerWaalsContact O-N 3.09Å; I376-V383 HydrophobicContact CD1-CG2 4.01Å; I376-V383 HydrophobicContact CG1-CG2 4.44Å; I376-F435 HydrophobicContact CB-CD1 4.48Å; I376-F435 HydrophobicContact CB-CE1 3.91Å; I376-F435 HydrophobicContact CB-CZ 3.96Å; I376-F435 HydrophobicContact CG2-CD1 4.48Å; I376-F435 HydrophobicContact CG2-CD2 4.43Å; I376-F435 HydrophobicContact CG2-CE1 4.17Å; I376-F435 HydrophobicContact CG2-CE2 4.09Å; I376-F435 HydrophobicContact CG2-CZ 3.96Å
377K88.9Confident90.7Very high181 Ų18150.1 Ų50.179%0.78725%0.251SS*.  trans54.928.1174.2-60.7171.4-175.1171.70114.1A373 I375A373-K377 WeakPolarHBondContact O-CA 3.26Å; A373-K377 PolarHBondContact O-N 3.14Å; I375-K377 VanDerWaalsContact C-N 3.31Å; I375-K377 PolarHBondContact O-N 3.35Å
378L89.8Confident90.8Very high13 Ų1354.8 Ų54.87%0.06827%0.272CS..  trans-87152.7172.6-73-178.9000111.3V345 V349 I376 V383 F386V345-L378 HydrophobicContact CG1-CD2 3.79Å; V345-L378 HydrophobicContact CG2-CD2 4.47Å; V349-L378 HydrophobicContact CG1-CD2 3.86Å; I376-L378 HydrophobicContact CD1-CB 4.43Å; I376-L378 HydrophobicContact CD1-CD1 4Å; I376-L378 HydrophobicContact CD1-CG 4.39Å; I376-L378 HydrophobicContact CG1-CB 4.12Å; I376-L378 HydrophobicContact CG1-CD1 4.28Å; I376-L378 HydrophobicContact CG1-CG 4.14Å; I376-L378 PolarHBondContact O-N 2.97Å; I376-L378 VanDerWaalsContact O-N 3.09Å; L378-V383 HydrophobicContact CB-CG2 3.96Å; L378-F386 HydrophobicContact CD1-CE2 3.58Å; L378-F386 HydrophobicContact CD1-CZ 4.01Å
379P91.6Very high90.9Very high41 Ų4154.3 Ų54.327%0.26627%0.267SS..  trans-48.8133.2167.1-27.536.3000111V345 E381 D382 V383V345-P379 HydrophobicContact CG2-CG 4.1Å; P379-E381 PolarHBondContact O-N 3.27Å; P379-D382 WeakPolarHBondContact CD-OD2 3.33Å; P379-D382 WeakPolarHBondContact CG-OD2 3.18Å; P379-D382 PolarHBondContact O-N 3.16Å; P379-D382 VanDerWaalsContact O-N 3.09Å; P379-V383 PolarHBondContact O-N 2.95Å
380P89.1Confident91.2Very high60 Ų6050.9 Ų50.939%0.3925%0.253SS..Hα-helixtrans-62.2-19.1-172.523.2-31.2000112.9R369 K384R369-P380 VanDerWaalsContact CZ-O 3.31Å; R369-P380 PolarHBondContact NE-O 3.41Å; R369-P380 VanDerWaalsContact NE-O 3.07Å; R369-P380 VanDerWaalsContact NH2-C 3.28Å; R369-P380 PolarHBondContact NH2-O 2.57Å; P380-K384 PolarHBondContact O-N 3.19Å
381E91.1Very high91.5Very high99 Ų9942.5 Ų42.546%0.46322%0.218SC..Hα-helixtrans-64.2-50.8173.6-69.155.7-11800111.5P379 V383 K384 E385P379-E381 PolarHBondContact O-N 3.27Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 PolarHBondContact O-N 3.5Å; E381-K384 WeakPolarHBondContact O-CA 3.38Å; E381-K384 VanDerWaalsContact O-CB 3.26Å; E381-K384 WeakPolarHBondContact O-CB 3.47Å; E381-K384 PolarHBondContact O-N 2.83Å; E381-E385 PolarHBondContact O-N 2.83Å
382D92.7Very high91.8Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-62.1-39.9176.6-58.4-49.4000110.4S340 S343 L350 P379 K384 E385 F386S340-D382 VanDerWaalsContact CB-OD1 3.27Å; S340-D382 WeakPolarHBondContact CB-OD1 3.39Å; S340-D382 PolarHBondContact OG-OD1 2.9Å; S343-D382 VanDerWaalsContact CB-OD2 3.29Å; S343-D382 WeakPolarHBondContact CB-OD2 3.41Å; S343-D382 VanDerWaalsContact OG-CG 3.24Å; S343-D382 PolarHBondContact OG-OD1 3.37Å; S343-D382 VanDerWaalsContact OG-OD1 3.11Å; S343-D382 PolarHBondContact OG-OD2 2.67Å; L350-D382 HydrophobicContact CD2-CB 4.08Å; P379-D382 WeakPolarHBondContact CD-OD2 3.33Å; P379-D382 WeakPolarHBondContact CG-OD2 3.18Å; P379-D382 PolarHBondContact O-N 3.16Å; P379-D382 VanDerWaalsContact O-N 3.09Å; D382-K384 PolarHBondContact O-N 3.36Å; D382-E385 WeakPolarHBondContact O-CB 3.37Å; D382-E385 PolarHBondContact O-N 2.62Å; D382-F386 HydrophobicContact CB-CZ 4.34Å; D382-F386 VanDerWaalsContact O-CD1 3.27Å; D382-F386 WeakPolarHBondContact O-CD1 3.45Å; D382-F386 VanDerWaalsContact O-CG 3.23Å; D382-F386 WeakPolarHBondContact O-CG 3.37Å; D382-F386 PolarHBondContact O-N 3.06Å
383V93Very high91.9Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-64.1-31175.3-1680000111.8R369 I372 A373 I376 L378 P379 E381 L387R369-V383 HydrophobicContact CG-CG1 4.12Å; I372-V383 HydrophobicContact CB-CG1 4.25Å; I372-V383 HydrophobicContact CG2-CG1 3.54Å; A373-V383 HydrophobicContact CB-CG2 4.25Å; I376-V383 HydrophobicContact CD1-CG2 4.01Å; I376-V383 HydrophobicContact CG1-CG2 4.44Å; L378-V383 HydrophobicContact CB-CG2 3.96Å; P379-V383 PolarHBondContact O-N 2.95Å; E381-V383 VanDerWaalsContact C-N 3.28Å; E381-V383 PolarHBondContact O-N 3.5Å; V383-L387 HydrophobicContact CG1-CD1 4.29Å; V383-L387 WeakPolarHBondContact O-CD1 3.32Å; V383-L387 VanDerWaalsContact O-CG 3.26Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 2.92Å
384K93Very high91.9Very high76 Ų7646.6 Ų46.633%0.3324%0.239SC..Hα-helixtrans-70.3-46.6173.8-172.8179.8168.6-75.70110.6P380 E381 D382 F386 L387 E388P380-K384 PolarHBondContact O-N 3.19Å; E381-K384 WeakPolarHBondContact O-CA 3.38Å; E381-K384 VanDerWaalsContact O-CB 3.26Å; E381-K384 WeakPolarHBondContact O-CB 3.47Å; E381-K384 PolarHBondContact O-N 2.83Å; D382-K384 PolarHBondContact O-N 3.36Å; K384-F386 VanDerWaalsContact C-N 3.32Å; K384-F386 PolarHBondContact O-N 3.07Å; K384-L387 PolarHBondContact O-N 2.99Å; K384-L387 VanDerWaalsContact O-N 3.14Å; K384-E388 WeakPolarHBondContact CE-OE1 3.38Å; K384-E388 HydrophobicContact CG-CG 4.33Å; K384-E388 IonicContact NZ-OE1 2.73Å; K384-E388 PolarHBondContact NZ-OE1 3.45Å; K384-E388 IonicContact NZ-OE2 2.72Å; K384-E388 PolarHBondContact NZ-OE2 3.16Å; K384-E388 WeakPolarHBondContact O-CG 3.4Å; K384-E388 PolarHBondContact O-N 3.1Å
385E92.6Very high91.7Very high38 Ų3849 Ų4918%0.17825%0.25CC..Hα-helixtrans-56.9-44.1176.6-167.7-159.8133.600111.5Y334 H342 E381 D382 L387 E388 H389Y334-E385 PolarHBondContact OH-OE1 3.46Å; H342-E385 IonicContact CD2-OE2 2.79Å; E381-E385 PolarHBondContact O-N 2.83Å; D382-E385 WeakPolarHBondContact O-CB 3.37Å; D382-E385 PolarHBondContact O-N 2.62Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 2.99Å; E385-E388 PolarHBondContact O-N 2.69Å; E385-H389 WeakPolarHBondContact O-CB 3.36Å; E385-H389 PolarHBondContact O-N 3.42Å; E385-H389 VanDerWaalsContact O-N 3.11Å; E385-H389 PolarHBondContact O-ND1 2.82Å; E385-H389 IonicContact OE1-CE1 3.77Å; E385-H389 PolarHBondContact OE1-CE1 3Å; E385-H389 IonicContact OE1-ND1 3.24Å
386F94.3Very high91.2Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-62.5-36.8177.8-61.4-11.3000113Y334 L350 R354 V357 L378 D382 K384Y334-F386 AromaticContact CE2-CE1 3.98Å; Y334-F386 HydrophobicContact CE2-CE1 3.98Å; Y334-F386 AromaticContact CZ-CE1 3.9Å; L350-F386 HydrophobicContact CB-CE1 4.41Å; L350-F386 HydrophobicContact CB-CZ 3.92Å; L350-F386 HydrophobicContact CD2-CE1 4.33Å; L350-F386 HydrophobicContact CD2-CZ 3.8Å; L350-F386 HydrophobicContact CG-CZ 4.46Å; L350-F386 WeakPolarHBondContact O-CZ 3.4Å; R354-F386 HydrophobicContact CB-CD1 4.11Å; R354-F386 HydrophobicContact CB-CD2 3.81Å; R354-F386 HydrophobicContact CB-CE1 4.17Å; R354-F386 HydrophobicContact CB-CE2 3.86Å; R354-F386 HydrophobicContact CB-CG 3.95Å; R354-F386 HydrophobicContact CB-CZ 4.05Å; R354-F386 HydrophobicContact CG-CB 4.41Å; R354-F386 HydrophobicContact CG-CD1 4.25Å; R354-F386 HydrophobicContact CG-CD2 4.41Å; R354-F386 HydrophobicContact CG-CG 4.11Å; V357-F386 HydrophobicContact CG2-CD2 4.46Å; L378-F386 HydrophobicContact CD1-CE2 3.58Å; L378-F386 HydrophobicContact CD1-CZ 4.01Å; D382-F386 HydrophobicContact CB-CZ 4.34Å; D382-F386 VanDerWaalsContact O-CD1 3.27Å; D382-F386 WeakPolarHBondContact O-CD1 3.45Å; D382-F386 VanDerWaalsContact O-CG 3.23Å; D382-F386 WeakPolarHBondContact O-CG 3.37Å; D382-F386 PolarHBondContact O-N 3.06Å; K384-F386 VanDerWaalsContact C-N 3.32Å; K384-F386 PolarHBondContact O-N 3.07Å
387L94.7Very high90.7Very high0 Ų063.9 Ų63.90%032%0.316CS..Hα-helixtrans-77.1-43.5179.5-69.6167.2000111.3V357 F361 V367 R369 I372 V383 K384 E385 H389 V390 A391 W399V357-L387 HydrophobicContact CG1-CD2 3.73Å; V357-L387 HydrophobicContact CG1-CG 4.46Å; F361-L387 HydrophobicContact CE2-CD2 3.93Å; F361-L387 HydrophobicContact CZ-CD2 3.99Å; V367-L387 HydrophobicContact CG2-CD2 3.7Å; R369-L387 HydrophobicContact CB-CD1 3.83Å; R369-L387 HydrophobicContact CG-CD1 4.03Å; I372-L387 HydrophobicContact CD1-CD2 4.34Å; V383-L387 HydrophobicContact CG1-CD1 4.29Å; V383-L387 WeakPolarHBondContact O-CD1 3.32Å; V383-L387 VanDerWaalsContact O-CG 3.26Å; V383-L387 WeakPolarHBondContact O-CG 3.17Å; V383-L387 PolarHBondContact O-N 2.92Å; K384-L387 PolarHBondContact O-N 2.99Å; K384-L387 VanDerWaalsContact O-N 3.14Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 2.99Å; L387-H389 PolarHBondContact O-N 3.25Å; L387-V390 PolarHBondContact O-N 3.3Å; L387-A391 WeakPolarHBondContact O-CA 3.29Å; L387-A391 WeakPolarHBondContact O-CB 3.45Å; L387-A391 PolarHBondContact O-N 3.2Å; L387-W399 HydrophobicContact CB-CD2 3.78Å; L387-W399 HydrophobicContact CB-CE3 3.71Å; L387-W399 HydrophobicContact CB-CG 4.22Å; L387-W399 HydrophobicContact CB-CZ3 4.13Å; L387-W399 HydrophobicContact CD1-CD2 4.13Å; L387-W399 HydrophobicContact CD1-CG 3.93Å; L387-W399 HydrophobicContact CD2-CB 4.1Å; L387-W399 HydrophobicContact CD2-CG 4.28Å; L387-W399 HydrophobicContact CG-CD2 4.42Å; L387-W399 HydrophobicContact CG-CG 4.38Å
388E94.3Very high90.8Very high102 Ų10256.5 Ų56.548%0.47729%0.292SS..Hα-helixtrans-63.7-23.7177.1-72.4177.8154.900112.9K384 E385 W399K384-E388 WeakPolarHBondContact CE-OE1 3.38Å; K384-E388 HydrophobicContact CG-CG 4.33Å; K384-E388 IonicContact NZ-OE1 2.73Å; K384-E388 PolarHBondContact NZ-OE1 3.45Å; K384-E388 IonicContact NZ-OE2 2.72Å; K384-E388 PolarHBondContact NZ-OE2 3.16Å; K384-E388 WeakPolarHBondContact O-CG 3.4Å; K384-E388 PolarHBondContact O-N 3.1Å; E385-E388 PolarHBondContact O-N 2.69Å; E388-W399 HydrophobicContact CB-CZ3 4.48Å; E388-W399 HydrophobicContact CG-CH2 3.41Å; E388-W399 VanDerWaalsContact CG-CH2 3.41Å; E388-W399 HydrophobicContact CG-CZ3 3.56Å
389H93.6Very high91Very high44 Ų4457.3 Ų57.320%0.20429%0.294CS..THydrogen-bonded Turntrans-72.5-19.8171.7-81.2138.6000115.3K291 E385 L387K291-H389 VanDerWaalsContact CB-O 3.27Å; K291-H389 WeakPolarHBondContact CB-O 3.02Å; K291-H389 WeakPolarHBondContact CE-CD2 3.42Å; K291-H389 WeakPolarHBondContact CE-NE2 3.24Å; K291-H389 HydrophobicContact CG-CB 4.39Å; E385-H389 WeakPolarHBondContact O-CB 3.36Å; E385-H389 PolarHBondContact O-N 3.42Å; E385-H389 VanDerWaalsContact O-N 3.11Å; E385-H389 PolarHBondContact O-ND1 2.82Å; E385-H389 IonicContact OE1-CE1 3.77Å; E385-H389 PolarHBondContact OE1-CE1 3Å; E385-H389 IonicContact OE1-ND1 3.24Å; L387-H389 PolarHBondContact O-N 3.25Å
390V94.4Very high91.2Very high0 Ų057.2 Ų57.20%029%0.29CS..THydrogen-bonded Turntrans-142.1-7.1-169.3-50.60000115.9V292 V327 M358 F361 L387 F401 L402V292-V390 HydrophobicContact CG2-CB 3.73Å; V292-V390 HydrophobicContact CG2-CG1 3.63Å; V327-V390 HydrophobicContact CG1-CG1 4.03Å; M358-V390 HydrophobicContact CE-CB 4.32Å; M358-V390 HydrophobicContact CE-CG1 3.64Å; M358-V390 HydrophobicContact CE-CG2 3.74Å; M358-V390 HydrophobicContact SD-CB 4.2Å; M358-V390 HydrophobicContact SD-CG1 3.7Å; M358-V390 HydrophobicContact SD-CG2 3.84Å; F361-V390 HydrophobicContact CD2-CG2 4.04Å; F361-V390 HydrophobicContact CE2-CG2 3.67Å; L387-V390 PolarHBondContact O-N 3.3Å; V390-F401 HydrophobicContact CB-CE2 4.49Å; V390-F401 WeakPolarHBondContact O-CD2 3.31Å; V390-L402 WeakPolarHBondContact O-CB 3.38Å; V390-L402 PolarHBondContact O-N 3.23Å
391A95.4Very high91.5Very high6 Ų654.4 Ų54.45%0.0527%0.271CS..EExtended strand (participates in β ladder)trans-146.8165.1-17000000110.8F361 L387 W399 E400F361-A391 HydrophobicContact CE1-CB 4.34Å; F361-A391 HydrophobicContact CE2-CB 4.03Å; F361-A391 HydrophobicContact CZ-CB 3.51Å; L387-A391 WeakPolarHBondContact O-CA 3.29Å; L387-A391 WeakPolarHBondContact O-CB 3.45Å; L387-A391 PolarHBondContact O-N 3.2Å; A391-W399 HydrophobicContact CB-CB 4.15Å; A391-W399 HydrophobicContact CB-CE3 4.27Å; A391-E400 CarbonylContact C-O 3.56Å; A391-E400 VanDerWaalsContact CA-O 3.24Å; A391-E400 WeakPolarHBondContact CA-O 3.36Å; A391-E400 VanDerWaalsContact CB-O 3.28Å; A391-E400 WeakPolarHBondContact CB-O 3.31Å
392S93.3Very high91.7Very high21 Ų2153.7 Ų53.715%0.14727%0.27CS..EExtended strand (participates in β ladder)trans-127.4142.7177.556.80000110.8R394 W399 E400S392-R394 PolarHBondContact OG-NH1 2.73Å; S392-R394 PolarHBondContact OG-NH2 2.75Å; S392-W399 WeakPolarHBondContact O-CA 3.17Å; S392-E400 PolarHBondContact N-O 2.72Å; S392-E400 PolarHBondContact O-N 3.25Å
393P92.9Very high91.8Very high84 Ų8455.5 Ų55.555%0.54528%0.28SS..EExtended strand (participates in β ladder)trans-67.6143.8-178.828.4-33.8000110.8W399P393-W399 HydrophobicContact CB-CD2 4.4Å; P393-W399 HydrophobicContact CB-CE3 4.46Å; P393-W399 HydrophobicContact CB-CH2 4.39Å; P393-W399 HydrophobicContact CB-CZ2 4.33Å; P393-W399 HydrophobicContact CB-CZ3 4.47Å; P393-W399 HydrophobicContact CG-CH2 4.39Å; P393-W399 HydrophobicContact CG-CZ3 4.4Å
394R88.1Confident91.8Very high101 Ų10160.2 Ų60.238%0.38131%0.31SS..EExtended strand (participates in β ladder)trans-130.5128175.9-67.9-63.4-171-95-15110.3S392 N396 R397 G398 E400S392-R394 PolarHBondContact OG-NH1 2.73Å; S392-R394 PolarHBondContact OG-NH2 2.75Å; R394-N396 PolarHBondContact O-N 2.87Å; R394-R397 HydrophobicContact CB-CB 3.89Å; R394-R397 PolarHBondContact O-N 3.43Å; R394-R397 VanDerWaalsContact O-N 3.08Å; R394-G398 PolarHBondContact N-O 3.13Å; R394-G398 PolarHBondContact O-N 3.22Å; R394-E400 HydrophobicContact CG-CB 3.67Å; R394-E400 IonicContact CZ-OE2 3.4Å; R394-E400 IonicContact NE-OE2 2.73Å; R394-E400 PolarHBondContact NE-OE2 2.79Å; R394-E400 IonicContact NH2-OE2 3.59Å; R394-E400 PolarHBondContact NH2-OE2 2.76Å
395V83.5Confident92Very high133 Ų13360.2 Ų60.281%0.80632%0.317SS*.THydrogen-bonded Turntrans-53.1127.5173.7-174.90000109R397V395-R397 PolarHBondContact O-N 2.68Å
396N78.7Confident92.1Very high164 Ų16459.8 Ų59.888%0.87732%0.316SS*.THydrogen-bonded Turntrans57.412.6-179.6-54-15.2000116.4R394R394-N396 PolarHBondContact O-N 2.87Å
397R79.6Confident92.2Very high179 Ų17962.8 Ų62.868%0.67534%0.34SS*.THydrogen-bonded Turntrans-133.19.2179.1-69.5-171.8174.5-164.9-3115.1S366 R394 V395S366-R397 WeakPolarHBondContact CB-O 3.43Å; R394-R397 HydrophobicContact CB-CB 3.89Å; R394-R397 PolarHBondContact O-N 3.43Å; R394-R397 VanDerWaalsContact O-N 3.08Å; V395-R397 PolarHBondContact O-N 2.68Å
398G90.4Very high92.1Very high26 Ų2667 Ų6727%0.26836%0.363SS..EExtended strand (participates in β ladder)trans75.8-127.3178.400000112.3R394R394-G398 PolarHBondContact N-O 3.13Å; R394-G398 PolarHBondContact O-N 3.22Å
399W95.1Very high92.2Very high30 Ų3062.5 Ų62.511%0.11434%0.342CS..EExtended strand (participates in β ladder)trans-117.2117.1178.4-69.975.5000109.7S366 V367 L387 E388 A391 S392 P393S366-W399 CarbonylContact C-O 3.6Å; S366-W399 WeakPolarHBondContact CA-O 3.03Å; V367-W399 HydrophobicContact CG2-CB 4.27Å; V367-W399 PolarHBondContact N-O 2.74Å; V367-W399 PolarHBondContact O-N 2.96Å; L387-W399 HydrophobicContact CB-CD2 3.78Å; L387-W399 HydrophobicContact CB-CE3 3.71Å; L387-W399 HydrophobicContact CB-CG 4.22Å; L387-W399 HydrophobicContact CB-CZ3 4.13Å; L387-W399 HydrophobicContact CD1-CD2 4.13Å; L387-W399 HydrophobicContact CD1-CG 3.93Å; L387-W399 HydrophobicContact CD2-CB 4.1Å; L387-W399 HydrophobicContact CD2-CG 4.28Å; L387-W399 HydrophobicContact CG-CD2 4.42Å; L387-W399 HydrophobicContact CG-CG 4.38Å; E388-W399 HydrophobicContact CB-CZ3 4.48Å; E388-W399 HydrophobicContact CG-CH2 3.41Å; E388-W399 VanDerWaalsContact CG-CH2 3.41Å; E388-W399 HydrophobicContact CG-CZ3 3.56Å; A391-W399 HydrophobicContact CB-CB 4.15Å; A391-W399 HydrophobicContact CB-CE3 4.27Å; S392-W399 WeakPolarHBondContact O-CA 3.17Å; P393-W399 HydrophobicContact CB-CD2 4.4Å; P393-W399 HydrophobicContact CB-CE3 4.46Å; P393-W399 HydrophobicContact CB-CH2 4.39Å; P393-W399 HydrophobicContact CB-CZ2 4.33Å; P393-W399 HydrophobicContact CB-CZ3 4.47Å; P393-W399 HydrophobicContact CG-CH2 4.39Å; P393-W399 HydrophobicContact CG-CZ3 4.4Å
400E95.4Very high92.3Very high39 Ų3963.5 Ų63.518%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-91.6137.2177-171-169.4175.800110.1R365 A391 S392 R394 L402R365-E400 HydrophobicContact CG-CG 4.06Å; R365-E400 IonicContact CZ-OE1 2.67Å; R365-E400 IonicContact NE-OE1 2.77Å; R365-E400 PolarHBondContact NE-OE1 2.7Å; R365-E400 IonicContact NH2-OE1 3.2Å; R365-E400 PolarHBondContact NH2-OE1 3.33Å; A391-E400 CarbonylContact C-O 3.56Å; A391-E400 VanDerWaalsContact CA-O 3.24Å; A391-E400 WeakPolarHBondContact CA-O 3.36Å; A391-E400 VanDerWaalsContact CB-O 3.28Å; A391-E400 WeakPolarHBondContact CB-O 3.31Å; S392-E400 PolarHBondContact N-O 2.72Å; S392-E400 PolarHBondContact O-N 3.25Å; R394-E400 HydrophobicContact CG-CB 3.67Å; R394-E400 IonicContact CZ-OE2 3.4Å; R394-E400 IonicContact NE-OE2 2.73Å; R394-E400 PolarHBondContact NE-OE2 2.79Å; R394-E400 IonicContact NH2-OE2 3.59Å; R394-E400 PolarHBondContact NH2-OE2 2.76Å; E400-L402 PolarHBondContact O-N 3.23Å
401F96.2Very high92.3Very high0 Ų071.9 Ų71.90%039%0.385CS..EExtended strand (participates in β ladder)trans-51.9134.2175.2-172.1-112.3000111.4V292 V322 Q323 N325 V327 F361 R365 V390 L403V292-F401 HydrophobicContact CG1-CE2 4.34Å; V292-F401 HydrophobicContact CG1-CZ 3.79Å; V322-F401 HydrophobicContact CB-CE2 4.39Å; V322-F401 HydrophobicContact CB-CZ 4.21Å; V322-F401 HydrophobicContact CG1-CE2 3.97Å; V322-F401 HydrophobicContact CG1-CZ 4.09Å; Q323-F401 HydrophobicContact CB-CD1 4.17Å; Q323-F401 HydrophobicContact CB-CE1 4.06Å; Q323-F401 HydrophobicContact CG-CD1 4.42Å; N325-F401 HydrophobicContact CB-CE1 4.18Å; N325-F401 HydrophobicContact CB-CZ 4.29Å; V327-F401 HydrophobicContact CG2-CE2 4.08Å; V327-F401 HydrophobicContact CG2-CZ 4.01Å; F361-F401 HydrophobicContact CB-CD2 4.21Å; F361-F401 HydrophobicContact CD1-CB 3.86Å; F361-F401 HydrophobicContact CD1-CD2 4.21Å; F361-F401 HydrophobicContact CD1-CG 4.46Å; F361-F401 HydrophobicContact CD2-CD2 4.31Å; F361-F401 HydrophobicContact CE1-CB 4.06Å; F361-F401 HydrophobicContact CG-CD2 4.02Å; R365-F401 PolarHBondContact NH2-O 3.31Å; R365-F401 PolarHBondContact O-N 2.76Å; V390-F401 HydrophobicContact CB-CE2 4.49Å; V390-F401 WeakPolarHBondContact O-CD2 3.31Å; F401-L403 VanDerWaalsContact C-N 3.25Å; F401-L403 WeakPolarHBondContact CD1-O 3.33Å; F401-L403 HydrophobicContact CE1-CB 4.35Å; F401-L403 PolarHBondContact O-N 3.2Å; F401-L403 VanDerWaalsContact O-N 3.14Å
402L94.3Very high92.3Very high84 Ų8477.9 Ų77.944%0.4441%0.41SS..SBendtrans-61.2-30.9-162.6-178.763.3000113.9V390 E400V390-L402 WeakPolarHBondContact O-CB 3.38Å; V390-L402 PolarHBondContact O-N 3.23Å; E400-L402 PolarHBondContact O-N 3.23Å
403L94.4Very high92.4Very high38 Ų3878.2 Ų78.220%0.19941%0.409CS..SBendtrans-114.1156.4-174.2-60.5-176.4000112V292 P294 N325 R365 F401V292-L403 HydrophobicContact CG1-CD1 3.81Å; V292-L403 HydrophobicContact CG1-CG 4.29Å; P294-L403 HydrophobicContact CG-CD1 4.1Å; N325-L403 HydrophobicContact CB-CD1 4.26Å; N325-L403 WeakPolarHBondContact OD1-CD1 3.38Å; R365-L403 PolarHBondContact NH1-O 2.87Å; R365-L403 PolarHBondContact NH2-O 2.9Å; R365-L403 VanDerWaalsContact NH2-O 3.15Å; F401-L403 VanDerWaalsContact C-N 3.25Å; F401-L403 WeakPolarHBondContact CD1-O 3.33Å; F401-L403 HydrophobicContact CE1-CB 4.35Å; F401-L403 PolarHBondContact O-N 3.2Å; F401-L403 VanDerWaalsContact O-N 3.14Å
404P94.6Very high92.6Very high99 Ų9978 Ų7864%0.64341%0.408SS*.  trans-65.9155.9164.930.8-35.9000110.6N325 D406N325-P404 PolarHBondContact ND2-O 3.33Å; P404-D406 PolarHBondContact O-N 2.81Å
405T95.5Very high92.9Very high77 Ų7777.2 Ų77.247%0.47241%0.41SS..  trans-64.4118.9177.9-53.20000110.9Q323 A407 I410Q323-T405 HydrophobicContact CB-CG2 4.17Å; Q323-T405 CarbonylContact O-C 3.57Å; Q323-T405 VanDerWaalsContact O-CA 3.31Å; Q323-T405 WeakPolarHBondContact O-CA 3.2Å; T405-A407 VanDerWaalsContact C-N 3.26Å; T405-A407 PolarHBondContact O-N 2.95Å; T405-I410 HydrophobicContact CG2-CD1 4.44Å
406D95.4Very high93.5Very high29 Ų2971 Ų7116%0.15537%0.373CS..  trans-79.376.7177.8-170.2-11.7000110.3Q323 P404 D408 F409 I410Q323-D406 PolarHBondContact O-N 2.92Å; P404-D406 PolarHBondContact O-N 2.81Å; D406-D408 PolarHBondContact O-N 2.82Å; D406-D408 WeakPolarHBondContact OD1-CB 3.21Å; D406-D408 PolarHBondContact OD1-N 3.46Å; D406-F409 HydrophobicContact CB-CB 4.22Å; D406-F409 VanDerWaalsContact CG-CB 3.43Å; D406-F409 PolarHBondContact O-N 2.94Å; D406-F409 WeakPolarHBondContact OD1-CB 2.99Å; D406-F409 PolarHBondContact OD1-N 3.01Å; D406-F409 WeakPolarHBondContact OD2-CB 3.47Å; D406-I410 WeakPolarHBondContact O-CG1 3.47Å; D406-I410 PolarHBondContact O-N 2.95Å
407A95.3Very high94.3Very high62 Ų6264.1 Ų64.151%0.51234%0.339SS..Hα-helixtrans-64.3-26.1176.500000112.4T405 I410 K411T405-A407 VanDerWaalsContact C-N 3.26Å; T405-A407 PolarHBondContact O-N 2.95Å; A407-I410 PolarHBondContact O-N 2.97Å; A407-K411 VanDerWaalsContact O-CB 3.3Å; A407-K411 WeakPolarHBondContact O-CB 3.41Å; A407-K411 PolarHBondContact O-N 3.12Å
408D94.5Very high95Very high89 Ų8961 Ų6148%0.47633%0.331SS..Hα-helixtrans-69.8-44.2179.7-117.728.9000111D406 K411 K412D406-D408 PolarHBondContact O-N 2.82Å; D406-D408 WeakPolarHBondContact OD1-CB 3.21Å; D406-D408 PolarHBondContact OD1-N 3.46Å; D408-K411 PolarHBondContact O-N 3.03Å; D408-K412 WeakPolarHBondContact O-CB 3.38Å; D408-K412 WeakPolarHBondContact O-CD 3.48Å; D408-K412 WeakPolarHBondContact O-CG 3.36Å; D408-K412 PolarHBondContact O-N 3.49Å; D408-K412 IonicContact OD2-NZ 2.8Å; D408-K412 PolarHBondContact OD2-NZ 3.49Å
409F95.8Very high95.3Very high7 Ų765.7 Ų65.73%0.03134%0.341CS..Hα-helixtrans-60.3-46.4171.7-178.3-93.3000111.8F295 L312 L321 W326 D406 K411 K412 H413 V416F295-F409 HydrophobicContact CB-CD2 3.34Å; F295-F409 HydrophobicContact CB-CE2 3.53Å; F295-F409 HydrophobicContact CB-CG 4.26Å; F295-F409 HydrophobicContact CD1-CD2 4.01Å; F295-F409 AromaticContact CD1-CE2 3.85Å; F295-F409 HydrophobicContact CD1-CE2 3.85Å; F295-F409 AromaticContact CD2-CE2 3.87Å; F295-F409 HydrophobicContact CD2-CE2 3.87Å; F295-F409 AromaticContact CG-CD2 3.71Å; F295-F409 HydrophobicContact CG-CD2 3.71Å; F295-F409 AromaticContact CG-CE2 3.45Å; F295-F409 HydrophobicContact CG-CE2 3.45Å; F295-F409 VanDerWaalsContact CG-CE2 3.45Å; L312-F409 HydrophobicContact CD2-CE2 3.89Å; L312-F409 HydrophobicContact CD2-CZ 3.8Å; L321-F409 HydrophobicContact CD1-CD1 3.7Å; L321-F409 HydrophobicContact CD1-CE1 3.51Å; L321-F409 HydrophobicContact CD1-CZ 4.47Å; L321-F409 HydrophobicContact CD2-CD1 4.24Å; L321-F409 HydrophobicContact CD2-CE1 3.99Å; L321-F409 HydrophobicContact CG-CE1 4.43Å; W326-F409 AromaticContact CE2-CZ 3.85Å; W326-F409 AromaticContact CZ2-CE1 3.97Å; W326-F409 HydrophobicContact CZ2-CE1 3.97Å; W326-F409 AromaticContact CZ2-CZ 3.65Å; W326-F409 HydrophobicContact CZ2-CZ 3.65Å; W326-F409 AromaticContact NE1-CE1 3.78Å; W326-F409 AromaticContact NE1-CE2 3.72Å; W326-F409 AromaticContact NE1-CZ 3.45Å; D406-F409 HydrophobicContact CB-CB 4.22Å; D406-F409 VanDerWaalsContact CG-CB 3.43Å; D406-F409 PolarHBondContact O-N 2.94Å; D406-F409 WeakPolarHBondContact OD1-CB 2.99Å; D406-F409 PolarHBondContact OD1-N 3.01Å; D406-F409 WeakPolarHBondContact OD2-CB 3.47Å; F409-K411 VanDerWaalsContact C-N 3.31Å; F409-K411 PolarHBondContact O-N 3.24Å; F409-K412 PolarHBondContact O-N 2.95Å; F409-H413 AromaticContact CD2-CD2 3.58Å; F409-H413 HydrophobicContact CE1-CB 4.29Å; F409-H413 HydrophobicContact CE2-CB 4.35Å; F409-H413 AromaticContact CE2-CD2 3.29Å; F409-H413 WeakPolarHBondContact CE2-CD2 3.44Å; F409-H413 HydrophobicContact CZ-CB 4Å; F409-H413 AromaticContact CZ-CD2 3.84Å; F409-H413 PolarHBondContact O-N 3.24Å; F409-V416 HydrophobicContact CZ-CG1 4.43Å
410I94.6Very high95.4Very high65 Ų6564.4 Ų64.433%0.33334%0.336SS..Hα-helixtrans-60-42.8178.9-64.5167.1000110.7T405 D406 A407 H413 A417T405-I410 HydrophobicContact CG2-CD1 4.44Å; D406-I410 WeakPolarHBondContact O-CG1 3.47Å; D406-I410 PolarHBondContact O-N 2.95Å; A407-I410 PolarHBondContact O-N 2.97Å; I410-H413 CarbonylContact O-C 3.57Å; I410-A417 HydrophobicContact CG2-CB 4.22Å
411K95.3Very high95.3Very high177 Ų17766.6 Ų66.677%0.7735%0.349SS*.Hα-helixtrans-69-34.4178.1-174.1177.3178.6-177.80113A407 D408 F409A407-K411 VanDerWaalsContact O-CB 3.3Å; A407-K411 WeakPolarHBondContact O-CB 3.41Å; A407-K411 PolarHBondContact O-N 3.12Å; D408-K411 PolarHBondContact O-N 3.03Å; F409-K411 VanDerWaalsContact C-N 3.31Å; F409-K411 PolarHBondContact O-N 3.24Å
412K95.1Very high95.3Very high132 Ų13271.3 Ų71.357%0.57437%0.372SS*.Hα-helixtrans-80-27.1179.3-71.7162.3-177.8161.40113.1D408 F409D408-K412 WeakPolarHBondContact O-CB 3.38Å; D408-K412 WeakPolarHBondContact O-CD 3.48Å; D408-K412 WeakPolarHBondContact O-CG 3.36Å; D408-K412 PolarHBondContact O-N 3.49Å; D408-K412 IonicContact OD2-NZ 2.8Å; D408-K412 PolarHBondContact OD2-NZ 3.49Å; F409-K412 PolarHBondContact O-N 2.95Å
413H95.8Very high95.4Very high28 Ų2871.3 Ų71.313%0.1337%0.373CS..  trans-133.360.1-176.7-57-63.8000113Q308 F409 I410 D415 V416 A417Q308-H413 PolarHBondContact NE2-CE1 2.97Å; Q308-H413 PolarHBondContact NE2-NE2 2.83Å; F409-H413 AromaticContact CD2-CD2 3.58Å; F409-H413 HydrophobicContact CE1-CB 4.29Å; F409-H413 HydrophobicContact CE2-CB 4.35Å; F409-H413 AromaticContact CE2-CD2 3.29Å; F409-H413 WeakPolarHBondContact CE2-CD2 3.44Å; F409-H413 HydrophobicContact CZ-CB 4Å; F409-H413 AromaticContact CZ-CD2 3.84Å; F409-H413 PolarHBondContact O-N 3.24Å; I410-H413 CarbonylContact O-C 3.57Å; H413-D415 VanDerWaalsContact C-N 3.28Å; H413-D415 PolarHBondContact O-N 2.96Å; H413-V416 HydrophobicContact CB-CB 4.04Å; H413-V416 HydrophobicContact CB-CG2 4.1Å; H413-V416 PolarHBondContact O-N 2.73Å; H413-V416 VanDerWaalsContact O-N 3.16Å; H413-A417 PolarHBondContact O-N 3.18Å
414P96.1Very high95.5Very high80 Ų8070 Ų7052%0.51937%0.365SS..Hα-helixtrans-64.5-30.8-174.927.4-35.7000113A417 H418P414-A417 PolarHBondContact O-N 3.44Å; P414-H418 VanDerWaalsContact O-CB 3.26Å; P414-H418 WeakPolarHBondContact O-CB 3.32Å; P414-H418 PolarHBondContact O-N 3.04Å
415D95.4Very high95.4Very high83 Ų8369.3 Ų69.344%0.44436%0.356SS..Hα-helixtrans-69.8-34.2176.472.2-62.8000112.5H413 R419H413-D415 VanDerWaalsContact C-N 3.28Å; H413-D415 PolarHBondContact O-N 2.96Å; D415-R419 WeakPolarHBondContact O-CB 3.44Å; D415-R419 VanDerWaalsContact O-CG 3.25Å; D415-R419 WeakPolarHBondContact O-CG 3.39Å; D415-R419 PolarHBondContact O-N 2.95Å; D415-R419 PolarHBondContact O-NE 2.94Å; D415-R419 IonicContact OD2-CZ 3.6Å; D415-R419 IonicContact OD2-NE 2.69Å; D415-R419 IonicContact OD2-NH2 2.68Å; D415-R419 PolarHBondContact OD2-NH2 2.87Å
416V96.1Very high95.4Very high4 Ų467.3 Ų67.32%0.02435%0.35CS..Hα-helixtrans-73.7-47173.5-179.10000108.9W326 F409 H413 H418 R419 Q420W326-V416 HydrophobicContact CH2-CG1 3.91Å; W326-V416 HydrophobicContact CZ2-CG1 3.91Å; F409-V416 HydrophobicContact CZ-CG1 4.43Å; H413-V416 HydrophobicContact CB-CB 4.04Å; H413-V416 HydrophobicContact CB-CG2 4.1Å; H413-V416 PolarHBondContact O-N 2.73Å; H413-V416 VanDerWaalsContact O-N 3.16Å; V416-H418 VanDerWaalsContact C-N 3.34Å; V416-H418 PolarHBondContact O-N 3.14Å; V416-R419 PolarHBondContact O-N 3.49Å; V416-Q420 HydrophobicContact CG1-CG 4.18Å; V416-Q420 WeakPolarHBondContact O-CB 3.4Å; V416-Q420 WeakPolarHBondContact O-CG 3.33Å; V416-Q420 PolarHBondContact O-N 3.28Å
417A95.1Very high95.3Very high18 Ų1867.1 Ų67.115%0.14935%0.348CS..Hα-helixtrans-58.2-44.417800000112L321 I410 H413 P414 Q420 N421L321-A417 HydrophobicContact CD2-CB 4.07Å; I410-A417 HydrophobicContact CG2-CB 4.22Å; H413-A417 PolarHBondContact O-N 3.18Å; P414-A417 PolarHBondContact O-N 3.44Å; A417-Q420 PolarHBondContact O-N 3.37Å; A417-N421 PolarHBondContact O-N 3.19Å
418H95.6Very high95.1Very high113 Ų11364.8 Ų64.852%0.52333%0.327SS..Hα-helixtrans-62.9-44.9176-174.587.3000112.5P414 V416 Q420 N421 M422P414-H418 VanDerWaalsContact O-CB 3.26Å; P414-H418 WeakPolarHBondContact O-CB 3.32Å; P414-H418 PolarHBondContact O-N 3.04Å; V416-H418 VanDerWaalsContact C-N 3.34Å; V416-H418 PolarHBondContact O-N 3.14Å; H418-Q420 VanDerWaalsContact C-N 3.35Å; H418-Q420 PolarHBondContact O-N 3.13Å; H418-N421 WeakPolarHBondContact O-CB 3.24Å; H418-N421 PolarHBondContact O-N 3.12Å; H418-M422 WeakPolarHBondContact NE2-CE 3.44Å; H418-M422 WeakPolarHBondContact O-CG 3.44Å; H418-M422 PolarHBondContact O-N 3.41Å
419R95.9Very high95Very high126 Ų12662.9 Ų62.948%0.47532%0.32SS..Hα-helixtrans-63.1-39.6175.9-75.6-178.2-72.2170.5-4.3112.4D415 V416 M422 L423D415-R419 WeakPolarHBondContact O-CB 3.44Å; D415-R419 VanDerWaalsContact O-CG 3.25Å; D415-R419 WeakPolarHBondContact O-CG 3.39Å; D415-R419 PolarHBondContact O-N 2.95Å; D415-R419 PolarHBondContact O-NE 2.94Å; D415-R419 IonicContact OD2-CZ 3.6Å; D415-R419 IonicContact OD2-NE 2.69Å; D415-R419 IonicContact OD2-NH2 2.68Å; D415-R419 PolarHBondContact OD2-NH2 2.87Å; V416-R419 PolarHBondContact O-N 3.49Å; R419-M422 PolarHBondContact O-N 3.43Å; R419-L423 WeakPolarHBondContact O-CG 3.49Å; R419-L423 PolarHBondContact O-N 3.07Å
420Q96.3Very high94.8Very high2 Ų269.4 Ų69.41%0.00935%0.349CS..Hα-helixtrans-66.2-38.2175.9-67.4-70.4-47.300111.8L321 W326 V416 A417 H418 M422 L423 W424L321-Q420 HydrophobicContact CB-CB 3.76Å; L321-Q420 HydrophobicContact CB-CG 3.77Å; L321-Q420 HydrophobicContact CD2-CB 4.4Å; L321-Q420 VanDerWaalsContact N-OE1 3.1Å; W326-Q420 HydrophobicContact CH2-CG 4.09Å; W326-Q420 HydrophobicContact CZ3-CG 4.47Å; V416-Q420 HydrophobicContact CG1-CG 4.18Å; V416-Q420 WeakPolarHBondContact O-CB 3.4Å; V416-Q420 WeakPolarHBondContact O-CG 3.33Å; V416-Q420 PolarHBondContact O-N 3.28Å; A417-Q420 PolarHBondContact O-N 3.37Å; H418-Q420 VanDerWaalsContact C-N 3.35Å; H418-Q420 PolarHBondContact O-N 3.13Å; Q420-M422 PolarHBondContact O-N 3.02Å; Q420-L423 WeakPolarHBondContact O-CB 3.41Å; Q420-L423 PolarHBondContact O-N 2.64Å; Q420-W424 VanDerWaalsContact O-CD1 3.27Å; Q420-W424 PolarHBondContact O-N 2.8Å
421N94.5Very high94.6Very high85 Ų8566.6 Ų66.646%0.45534%0.335SS..Hα-helixtrans-61.3-42.1171.8-176.774.7000112.3A417 H418 L423 W424 L425A417-N421 PolarHBondContact O-N 3.19Å; H418-N421 WeakPolarHBondContact O-CB 3.24Å; H418-N421 PolarHBondContact O-N 3.12Å; N421-L423 VanDerWaalsContact C-N 3.32Å; N421-L423 PolarHBondContact O-N 3.09Å; N421-W424 PolarHBondContact O-N 3Å; N421-W424 VanDerWaalsContact O-N 3.16Å; N421-L425 PolarHBondContact O-N 2.82Å
422M95.8Very high94.4Very high99 Ų9960.9 Ų60.949%0.48831%0.311SS..Hα-helixtrans-64.3-34.5175-67.1-63.1177.300112.7H418 R419 Q420 L425 G426H418-M422 WeakPolarHBondContact NE2-CE 3.44Å; H418-M422 WeakPolarHBondContact O-CG 3.44Å; H418-M422 PolarHBondContact O-N 3.41Å; R419-M422 PolarHBondContact O-N 3.43Å; Q420-M422 PolarHBondContact O-N 3.02Å; M422-L425 HydrophobicContact SD-CD1 3.96Å; M422-G426 PolarHBondContact O-N 3.3Å; M422-G426 VanDerWaalsContact O-N 3.14Å
423L95.9Very high94Very high85 Ų8562 Ų6245%0.44532%0.316SS..Hα-helixtrans-64.8-42.1170.9-68.2174.1000111.8L320 R419 Q420 N421 G426 I427L320-L423 HydrophobicContact CD2-CD1 4.13Å; R419-L423 WeakPolarHBondContact O-CG 3.49Å; R419-L423 PolarHBondContact O-N 3.07Å; Q420-L423 WeakPolarHBondContact O-CB 3.41Å; Q420-L423 PolarHBondContact O-N 2.64Å; N421-L423 VanDerWaalsContact C-N 3.32Å; N421-L423 PolarHBondContact O-N 3.09Å; L423-G426 CarbonylContact O-C 3.52Å; L423-G426 WeakPolarHBondContact O-CA 3.4Å; L423-G426 PolarHBondContact O-N 2.94Å; L423-G426 VanDerWaalsContact O-N 3.16Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.37Å
424W96.4Very high93.7Very high11 Ų1164 Ų644%0.04233%0.33CS..Hα-helixtrans-64.3-38.6176.4-78.2119.8000113.3L320 L321 V322 M358 W359 T362 Q420 N421 G426 I427 Q428L320-W424 HydrophobicContact CB-CH2 4.41Å; L320-W424 HydrophobicContact CB-CZ2 3.61Å; L320-W424 HydrophobicContact CD1-CH2 3.68Å; L320-W424 HydrophobicContact CD1-CZ2 3.66Å; L320-W424 HydrophobicContact CD1-CZ3 4.33Å; L320-W424 HydrophobicContact CG-CZ2 4.26Å; L321-W424 PolarHBondContact O-NE1 3.23Å; V322-W424 HydrophobicContact CG2-CZ2 3.64Å; M358-W424 HydrophobicContact CB-CH2 3.49Å; M358-W424 VanDerWaalsContact CB-CH2 3.49Å; M358-W424 HydrophobicContact CB-CZ2 4.22Å; M358-W424 HydrophobicContact CB-CZ3 4.17Å; W359-W424 HydrophobicContact CB-CE3 4.09Å; W359-W424 HydrophobicContact CB-CZ3 4.1Å; T362-W424 HydrophobicContact CG2-CD2 4.06Å; T362-W424 HydrophobicContact CG2-CG 4.1Å; Q420-W424 VanDerWaalsContact O-CD1 3.27Å; Q420-W424 PolarHBondContact O-N 2.8Å; N421-W424 PolarHBondContact O-N 3Å; N421-W424 VanDerWaalsContact O-N 3.16Å; W424-G426 VanDerWaalsContact C-N 3.3Å; W424-G426 PolarHBondContact O-N 3.38Å; W424-I427 HydrophobicContact CD2-CD1 4.27Å; W424-I427 HydrophobicContact CE3-CB 4.1Å; W424-I427 HydrophobicContact CE3-CD1 3.69Å; W424-I427 HydrophobicContact CE3-CG2 4.08Å; W424-I427 HydrophobicContact CH2-CD1 4.42Å; W424-I427 HydrophobicContact CZ3-CB 4.48Å; W424-I427 HydrophobicContact CZ3-CD1 3.78Å; W424-I427 HydrophobicContact CZ3-CG2 4.04Å; W424-I427 PolarHBondContact O-N 2.93Å; W424-I427 VanDerWaalsContact O-N 3.11Å; W424-Q428 WeakPolarHBondContact O-CB 3.22Å; W424-Q428 PolarHBondContact O-N 3.09Å
425L93.8Very high93.2Very high84 Ų8462.2 Ų62.244%0.4431%0.314SS..Hα-helixtrans-60.9-39.5171.1-68171.7000111.8N421 M422 I427 Q428 S429N421-L425 PolarHBondContact O-N 2.82Å; M422-L425 HydrophobicContact SD-CD1 3.96Å; L425-I427 VanDerWaalsContact C-N 3.31Å; L425-I427 PolarHBondContact O-N 2.87Å; L425-Q428 PolarHBondContact O-N 3.45Å; L425-S429 PolarHBondContact O-N 2.94Å; L425-S429 VanDerWaalsContact O-N 3.1Å
426G94.4Very high92.1Very high34 Ų3464.8 Ų64.835%0.35133%0.328SS..Hα-helixtrans-70-21.1173.900000114.9M422 L423 W424 K430M422-G426 PolarHBondContact O-N 3.3Å; M422-G426 VanDerWaalsContact O-N 3.14Å; L423-G426 CarbonylContact O-C 3.52Å; L423-G426 WeakPolarHBondContact O-CA 3.4Å; L423-G426 PolarHBondContact O-N 2.94Å; L423-G426 VanDerWaalsContact O-N 3.16Å; W424-G426 VanDerWaalsContact C-N 3.3Å; W424-G426 PolarHBondContact O-N 3.38Å; G426-K430 WeakPolarHBondContact O-CD 3.42Å; G426-K430 VanDerWaalsContact O-CE 3.3Å; G426-K430 WeakPolarHBondContact O-CE 3.28Å; G426-K430 WeakPolarHBondContact O-CG 3.49Å
427I93.6Very high91Very high25 Ų2565.5 Ų65.513%0.12833%0.33CS..Hα-helixtrans-82.3-46.9171-69.5163.8000109.7L320 D355 L423 W424 L425 S429 K430 L431L320-I427 HydrophobicContact CD1-CD1 3.71Å; D355-I427 HydrophobicContact CB-CG2 4.27Å; L423-I427 WeakPolarHBondContact O-CG1 3.42Å; L423-I427 PolarHBondContact O-N 3.37Å; W424-I427 HydrophobicContact CD2-CD1 4.27Å; W424-I427 HydrophobicContact CE3-CB 4.1Å; W424-I427 HydrophobicContact CE3-CD1 3.69Å; W424-I427 HydrophobicContact CE3-CG2 4.08Å; W424-I427 HydrophobicContact CH2-CD1 4.42Å; W424-I427 HydrophobicContact CZ3-CB 4.48Å; W424-I427 HydrophobicContact CZ3-CD1 3.78Å; W424-I427 HydrophobicContact CZ3-CG2 4.04Å; W424-I427 PolarHBondContact O-N 2.93Å; W424-I427 VanDerWaalsContact O-N 3.11Å; L425-I427 VanDerWaalsContact C-N 3.31Å; L425-I427 PolarHBondContact O-N 2.87Å; I427-S429 VanDerWaalsContact C-N 3.35Å; I427-S429 PolarHBondContact O-N 3.33Å; I427-K430 WeakPolarHBondContact O-CA 3.48Å; I427-K430 WeakPolarHBondContact O-CB 3.12Å; I427-K430 PolarHBondContact O-N 2.85Å; I427-L431 HydrophobicContact CG2-CD1 3.82Å; I427-L431 HydrophobicContact CG2-CG 4.14Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 2.96Å
428Q92Very high89.5Confident14 Ų1466.7 Ų66.77%0.06534%0.337CS..Hα-helixtrans-50.8-50.7176175.2172.1-12.300111.9W359 W424 L425 K430 L431 E432W359-Q428 HydrophobicContact CZ2-CG 3.96Å; W424-Q428 WeakPolarHBondContact O-CB 3.22Å; W424-Q428 PolarHBondContact O-N 3.09Å; L425-Q428 PolarHBondContact O-N 3.45Å; Q428-K430 PolarHBondContact O-N 2.81Å; Q428-L431 PolarHBondContact O-N 3.31Å; Q428-E432 HydrophobicContact CG-CG 4.13Å; Q428-E432 VanDerWaalsContact CG-OE1 3.29Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.47Å; Q428-E432 PolarHBondContact NE2-OE1 3.32Å; Q428-E432 WeakPolarHBondContact O-CG 3.5Å; Q428-E432 PolarHBondContact O-N 2.98Å
429S92.1Very high87.6Confident48 Ų4868.5 Ų68.534%0.33634%0.344SS..Hα-helixtrans-64-14.7179-168.70000114.4L425 I427 K433L425-S429 PolarHBondContact O-N 2.94Å; L425-S429 VanDerWaalsContact O-N 3.1Å; I427-S429 VanDerWaalsContact C-N 3.35Å; I427-S429 PolarHBondContact O-N 3.33Å; S429-K433 WeakPolarHBondContact O-CD 3.47Å; S429-K433 VanDerWaalsContact O-CE 3.28Å; S429-K433 WeakPolarHBondContact O-CE 3.43Å; S429-K433 WeakPolarHBondContact O-CG 3.33Å
430K91.3Very high85.7Confident145 Ų14570 Ų7063%0.6336%0.356SS*.Hα-helixtrans-88.4-37.8170.1-62.1167.4-173.7169.70111.5G426 I427 Q428 V434G426-K430 WeakPolarHBondContact O-CD 3.42Å; G426-K430 VanDerWaalsContact O-CE 3.3Å; G426-K430 WeakPolarHBondContact O-CE 3.28Å; G426-K430 WeakPolarHBondContact O-CG 3.49Å; I427-K430 WeakPolarHBondContact O-CA 3.48Å; I427-K430 WeakPolarHBondContact O-CB 3.12Å; I427-K430 PolarHBondContact O-N 2.85Å; Q428-K430 PolarHBondContact O-N 2.81Å; K430-V434 WeakPolarHBondContact O-CG2 3.37Å; K430-V434 PolarHBondContact O-N 3.24Å
431L90.9Very high83.9Confident6 Ų673.8 Ų73.83%0.03138%0.377CS..Hα-helixtrans-67.8-44.7178.2-64.7173.1000111.7R352 F356 W359 I427 Q428 K433 V434 F435 F437R352-L431 WeakPolarHBondContact O-CD2 3.35Å; F356-L431 HydrophobicContact CB-CD1 4.2Å; F356-L431 HydrophobicContact CB-CD2 4.16Å; F356-L431 HydrophobicContact CD2-CD1 4.35Å; W359-L431 HydrophobicContact CB-CD1 4.1Å; W359-L431 HydrophobicContact CG-CD1 4.34Å; I427-L431 HydrophobicContact CG2-CD1 3.82Å; I427-L431 HydrophobicContact CG2-CG 4.14Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 2.96Å; Q428-L431 PolarHBondContact O-N 3.31Å; L431-K433 VanDerWaalsContact C-N 3.26Å; L431-K433 PolarHBondContact O-N 3.45Å; L431-V434 PolarHBondContact O-N 3.37Å; L431-F435 HydrophobicContact CD2-CD2 4.27Å; L431-F435 HydrophobicContact CD2-CE2 3.94Å; L431-F435 PolarHBondContact O-N 3.1Å; L431-F437 HydrophobicContact CB-CE1 4.07Å; L431-F437 HydrophobicContact CB-CZ 3.98Å
432E89.5Confident82.2Confident57 Ų5771.6 Ų71.627%0.26636%0.363SS..Hα-helixtrans-53.9-43.1176.6-72.1167.9163.300111.1Q428 V434 N436 F437Q428-E432 HydrophobicContact CG-CG 4.13Å; Q428-E432 VanDerWaalsContact CG-OE1 3.29Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.47Å; Q428-E432 PolarHBondContact NE2-OE1 3.32Å; Q428-E432 WeakPolarHBondContact O-CG 3.5Å; Q428-E432 PolarHBondContact O-N 2.98Å; E432-V434 VanDerWaalsContact C-N 3.3Å; E432-V434 PolarHBondContact O-N 3.24Å; E432-N436 WeakPolarHBondContact O-CA 3.47Å; E432-N436 PolarHBondContact O-N 3.29Å; E432-N436 PolarHBondContact O-OD1 3.41Å; E432-F437 HydrophobicContact CB-CZ 4.47Å; E432-F437 HydrophobicContact CG-CD2 4.45Å; E432-F437 HydrophobicContact CG-CE2 3.69Å; E432-F437 HydrophobicContact CG-CZ 3.78Å
433K88.6Confident80.1Confident156 Ų15672.7 Ų72.768%0.67837%0.369SS*.Hα-helixtrans-72.7-12.8178.8-66.7173.7-171.6166.40115.3S429 L431S429-K433 WeakPolarHBondContact O-CD 3.47Å; S429-K433 VanDerWaalsContact O-CE 3.28Å; S429-K433 WeakPolarHBondContact O-CE 3.43Å; S429-K433 WeakPolarHBondContact O-CG 3.33Å; L431-K433 VanDerWaalsContact C-N 3.26Å; L431-K433 PolarHBondContact O-N 3.45Å
434V87.8Confident77.7Confident70 Ų7073.4 Ų73.442%0.42438%0.378SS..Hα-helixtrans-105.6-37.6-177.4170.20000111.2K430 L431 E432K430-V434 WeakPolarHBondContact O-CG2 3.37Å; K430-V434 PolarHBondContact O-N 3.24Å; L431-V434 PolarHBondContact O-N 3.37Å; E432-V434 VanDerWaalsContact C-N 3.3Å; E432-V434 PolarHBondContact O-N 3.24Å
435F86Confident74.9Confident41 Ų4181.8 Ų81.818%0.1842%0.415CS..Hα-helixtrans-108.5-7.6-174.1-62.8-59.8000113.9R352 F356 I375 I376 L431 F437R352-F435 HydrophobicContact CB-CE2 4.18Å; R352-F435 HydrophobicContact CB-CZ 4.08Å; F356-F435 HydrophobicContact CB-CE2 4.38Å; F356-F435 HydrophobicContact CD2-CD2 4.47Å; I375-F435 HydrophobicContact CG2-CB 4.1Å; I376-F435 HydrophobicContact CB-CD1 4.48Å; I376-F435 HydrophobicContact CB-CE1 3.91Å; I376-F435 HydrophobicContact CB-CZ 3.96Å; I376-F435 HydrophobicContact CG2-CD1 4.48Å; I376-F435 HydrophobicContact CG2-CD2 4.43Å; I376-F435 HydrophobicContact CG2-CE1 4.17Å; I376-F435 HydrophobicContact CG2-CE2 4.09Å; I376-F435 HydrophobicContact CG2-CZ 3.96Å; L431-F435 HydrophobicContact CD2-CD2 4.27Å; L431-F435 HydrophobicContact CD2-CE2 3.94Å; L431-F435 PolarHBondContact O-N 3.1Å; F435-F437 HydrophobicContact CB-CD1 3.68Å; F435-F437 HydrophobicContact CB-CE1 3.92Å; F435-F437 HydrophobicContact CD2-CE1 4.46Å; F435-F437 PolarHBondContact O-N 2.95Å
436N72.3Confident72.2Confident138 Ų13884 Ų8474%0.73843%0.427SS*.  trans50.547.3174.7-67.9-6.5000114.3E432E432-N436 WeakPolarHBondContact O-CA 3.47Å; E432-N436 PolarHBondContact O-N 3.29Å; E432-N436 PolarHBondContact O-OD1 3.41Å
437F73.1Confident69.2Low18 Ų1887.6 Ų87.68%0.07944%0.444CS..  trans-99.7152172.159.7-94.2000111.5F356 W359 I375 L431 E432 F435 D441 F442F356-F437 AromaticContact CD2-CE1 3.82Å; F356-F437 HydrophobicContact CD2-CE1 3.82Å; F356-F437 HydrophobicContact CD2-CZ 4.11Å; F356-F437 AromaticContact CE2-CD1 3.89Å; F356-F437 HydrophobicContact CE2-CD1 3.89Å; F356-F437 AromaticContact CE2-CE1 3.53Å; F356-F437 HydrophobicContact CE2-CE1 3.53Å; F356-F437 HydrophobicContact CE2-CE2 4.36Å; F356-F437 HydrophobicContact CE2-CG 4.46Å; F356-F437 AromaticContact CE2-CZ 3.79Å; F356-F437 HydrophobicContact CE2-CZ 3.79Å; W359-F437 HydrophobicContact CH2-CD2 4.42Å; W359-F437 AromaticContact CH2-CE2 3.57Å; W359-F437 HydrophobicContact CH2-CE2 3.57Å; W359-F437 HydrophobicContact CH2-CZ 4.14Å; W359-F437 HydrophobicContact CZ2-CE2 4.45Å; W359-F437 AromaticContact CZ3-CE2 3.7Å; W359-F437 HydrophobicContact CZ3-CE2 3.7Å; W359-F437 AromaticContact CZ3-CZ 3.88Å; W359-F437 HydrophobicContact CZ3-CZ 3.88Å; I375-F437 HydrophobicContact CG2-CD1 4.26Å; L431-F437 HydrophobicContact CB-CE1 4.07Å; L431-F437 HydrophobicContact CB-CZ 3.98Å; E432-F437 HydrophobicContact CB-CZ 4.47Å; E432-F437 HydrophobicContact CG-CD2 4.45Å; E432-F437 HydrophobicContact CG-CE2 3.69Å; E432-F437 HydrophobicContact CG-CZ 3.78Å; F435-F437 HydrophobicContact CB-CD1 3.68Å; F435-F437 HydrophobicContact CB-CE1 3.92Å; F435-F437 HydrophobicContact CD2-CE1 4.46Å; F435-F437 PolarHBondContact O-N 2.95Å; F437-D441 VanDerWaalsContact CA-OD2 3.3Å; F437-D441 WeakPolarHBondContact CA-OD2 3.21Å; F437-D441 WeakPolarHBondContact CB-OD2 3.44Å; F437-F442 HydrophobicContact CB-CE2 3.85Å; F437-F442 HydrophobicContact CB-CZ 4.18Å; F437-F442 AromaticContact CD2-CE2 3.96Å; F437-F442 HydrophobicContact CD2-CE2 3.96Å; F437-F442 HydrophobicContact CG-CE2 4.04Å
438S63.3Low66.5Low43 Ų4392.4 Ų92.430%0.30148%0.477SS..  trans-93.9169.8171.188.70000111.8E440 D441S438-E440 PolarHBondContact OG-N 3.31Å; S438-D441 WeakPolarHBondContact CB-OD1 3.2Å; S438-D441 PolarHBondContact N-OD2 3.09Å; S438-D441 PolarHBondContact OG-N 3.04Å; S438-D441 PolarHBondContact OG-OD1 3.1Å
439K56.8Low63.8Low152 Ų152100.2 Ų100.266%0.66151%0.514SS*.SBendtrans-72.5-20168.1-73.7-179.5176.6175.40112.8
440E55.8Low61.2Low158 Ų158103.7 Ų103.774%0.73854%0.535SS*.SBendtrans-85.5-25.2-175.6-66.2164.7-156.300111.7S438 F442 M443S438-E440 PolarHBondContact OG-N 3.31Å; E440-F442 PolarHBondContact O-N 2.92Å; E440-M443 PolarHBondContact O-N 2.84Å; E440-M443 VanDerWaalsContact O-N 3.14Å
441D58.8Low58.4Low81 Ų81105.5 Ų105.543%0.43355%0.545SS..THydrogen-bonded Turntrans-54.3-28.9176.8-61.6-2.6000112.6F437 S438F437-D441 VanDerWaalsContact CA-OD2 3.3Å; F437-D441 WeakPolarHBondContact CA-OD2 3.21Å; F437-D441 WeakPolarHBondContact CB-OD2 3.44Å; S438-D441 WeakPolarHBondContact CB-OD1 3.2Å; S438-D441 PolarHBondContact N-OD2 3.09Å; S438-D441 PolarHBondContact OG-N 3.04Å; S438-D441 PolarHBondContact OG-OD1 3.1Å
442F57.8Low55.9Low39 Ų39110.4 Ų110.417%0.17158%0.578CS.*THydrogen-bonded Turntrans-119.512.6-176.4-46.4-58.2000113.7I375 F437 E440I375-F442 HydrophobicContact CD1-CE1 3.47Å; I375-F442 VanDerWaalsContact CD1-CE1 3.47Å; I375-F442 HydrophobicContact CD1-CE2 4.41Å; I375-F442 HydrophobicContact CD1-CZ 3.35Å; I375-F442 HydrophobicContact CG1-CE1 4.33Å; I375-F442 HydrophobicContact CG1-CZ 4.01Å; F437-F442 HydrophobicContact CB-CE2 3.85Å; F437-F442 HydrophobicContact CB-CZ 4.18Å; F437-F442 AromaticContact CD2-CE2 3.96Å; F437-F442 HydrophobicContact CD2-CE2 3.96Å; F437-F442 HydrophobicContact CG-CE2 4.04Å; E440-F442 PolarHBondContact O-N 2.92Å
443M51.6Low53.5Low122 Ų122113.7 Ų113.760%0.60160%0.602SS**SBendtrans-64.9135166.3-76.1-89.485.800109.3E440 K445E440-M443 PolarHBondContact O-N 2.84Å; E440-M443 VanDerWaalsContact O-N 3.14Å; M443-K445 PolarHBondContact O-N 2.76Å; M443-K445 VanDerWaalsContact O-N 3.09Å
444P45.3Very low51.3Low99 Ų99114.6 Ų114.664%0.64361%0.608SS**  trans-64.3115.9178.426.5-33000109.5N446P444-N446 PolarHBondContact O-N 3.39Å
445K38.5Very low49.4Very low188 Ų188113.1 Ų113.182%0.81760%0.599SS**SBendtrans-71.512-174.6-63.7-173.2177.4179.80114.8M443M443-K445 PolarHBondContact O-N 2.76Å; M443-K445 VanDerWaalsContact O-N 3.09Å
446N36.5Very low48Very low131 Ų131113.7 Ų113.770%0.70161%0.608SS**SBendtrans-144.1147.4169.8-77.8-60.4000108.3P444P444-N446 PolarHBondContact O-N 3.39Å
447P32.1Very low47.4Very low109 Ų109109.9 Ų109.971%0.70860%0.601SS**PPolyproline II helixtrans-61.5151.817328.2-35.3000110.9Q449P447-Q449 PolarHBondContact O-N 3.42Å
448P36.2Very low47.1Very low125 Ų125114.6 Ų114.681%0.81263%0.631SS**PPolyproline II helixtrans-61.8125.8176.626.5-33.7000110
449Q35.9Very low46.9Very low179 Ų179117.6 Ų117.684%0.83664%0.641SS**PPolyproline II helixtrans-61.4142.2161.1-72.1-173-17.500108.5P447 E451P447-Q449 PolarHBondContact O-N 3.42Å; Q449-E451 PolarHBondContact O-N 3.09Å
450P36.6Very low47.3Very low121 Ų121117.7 Ų117.779%0.78664%0.637SS**PPolyproline II helixtrans-57.2141.117924.8-34.3000110.1
451E34.1Very low47.8Very low182 Ų182115.3 Ų115.385%0.8563%0.628SS**PPolyproline II helixtrans-57128.3-176.1-64.9-16613000110.7Q449 V453Q449-E451 PolarHBondContact O-N 3.09Å; E451-V453 PolarHBondContact O-N 3.29Å
452P38.2Very low48.6Very low110 Ų110117.3 Ų117.371%0.71463%0.633SS**  trans-66.2107.417326.8-32.3000108.2H454P452-H454 PolarHBondContact O-N 3.3Å
453V39.3Very low49.4Very low126 Ų126119 Ų11976%0.76464%0.643SS**  trans-41.7132179.6178.10000110.1E451 V455E451-V453 PolarHBondContact O-N 3.29Å; V453-V455 PolarHBondContact O-N 2.89Å
454H41.9Very low50.3Low174 Ų174116 Ų11681%0.80664%0.638SS**  trans-76.366.8-171.5-157.892.7000112.3P452 S456P452-H454 PolarHBondContact O-N 3.3Å; H454-S456 PolarHBondContact O-N 2.7Å
455V47Very low51.6Low40 Ų40116.5 Ų116.524%0.24263%0.632CS.*  trans-60.7117.6179.6-177.40000109.2V453 Q459 R460V453-V455 PolarHBondContact O-N 2.89Å; V455-Q459 HydrophobicContact CG1-CB 3.68Å; V455-Q459 HydrophobicContact CG1-CG 3.81Å; V455-R460 HydrophobicContact CB-CG 4.41Å; V455-R460 HydrophobicContact CG1-CB 4.43Å; V455-R460 HydrophobicContact CG1-CG 3.88Å; V455-R460 PolarHBondContact O-NE 3.4Å; V455-R460 PolarHBondContact O-NH2 2.81Å
456S57.6Low53.6Low53 Ų53111.3 Ų111.337%0.37161%0.611SS.*  trans-62.7162.5-176.780.60000111.9H454 V458 Q459 R460H454-S456 PolarHBondContact O-N 2.7Å; S456-V458 VanDerWaalsContact C-N 3.28Å; S456-V458 PolarHBondContact O-N 2.95Å; S456-Q459 PolarHBondContact O-N 3.31Å; S456-Q459 VanDerWaalsContact O-N 3.13Å; S456-Q459 WeakPolarHBondContact OG-CB 3.34Å; S456-Q459 PolarHBondContact OG-N 3.33Å; S456-R460 PolarHBondContact O-N 3.26Å
457G60Low55.6Low57 Ų57113.4 Ų113.459%0.58861%0.609SS**Hα-helixtrans-56.1-43.3177.800000112.5Q459 R460 L461G457-Q459 VanDerWaalsContact C-N 3.35Å; G457-Q459 PolarHBondContact O-N 3.48Å; G457-R460 PolarHBondContact O-N 2.95Å; G457-L461 PolarHBondContact O-N 2.69Å
458V65.5Low57.5Low117 Ų117110.7 Ų110.771%0.70960%0.595SS**Hα-helixtrans-61.7-42.3176.1-176.50000111.5S456 L461 K462S456-V458 VanDerWaalsContact C-N 3.28Å; S456-V458 PolarHBondContact O-N 2.95Å; V458-L461 WeakPolarHBondContact O-CB 3.36Å; V458-L461 PolarHBondContact O-N 3.06Å; V458-K462 PolarHBondContact O-N 3.46Å
459Q60.1Low59.4Low107 Ų107111 Ų11150%0.559%0.586SS.*Hα-helixtrans-73.9-32.3-176.5-161.8173.524.300111.8V455 S456 G457 I463V455-Q459 HydrophobicContact CG1-CB 3.68Å; V455-Q459 HydrophobicContact CG1-CG 3.81Å; S456-Q459 PolarHBondContact O-N 3.31Å; S456-Q459 VanDerWaalsContact O-N 3.13Å; S456-Q459 WeakPolarHBondContact OG-CB 3.34Å; S456-Q459 PolarHBondContact OG-N 3.33Å; G457-Q459 VanDerWaalsContact C-N 3.35Å; G457-Q459 PolarHBondContact O-N 3.48Å; Q459-I463 WeakPolarHBondContact O-CD1 3.39Å; Q459-I463 WeakPolarHBondContact O-CG1 3.33Å; Q459-I463 PolarHBondContact O-N 3.36Å
460R65.6Low61.2Low154 Ų154109.1 Ų109.158%0.58158%0.577SS**Hα-helixtrans-66.4-41.1166.4-99.6176.6-81.6179.5-6.6112.3V455 S456 G457 K462 I463 A464V455-R460 HydrophobicContact CB-CG 4.41Å; V455-R460 HydrophobicContact CG1-CB 4.43Å; V455-R460 HydrophobicContact CG1-CG 3.88Å; V455-R460 PolarHBondContact O-NE 3.4Å; V455-R460 PolarHBondContact O-NH2 2.81Å; S456-R460 PolarHBondContact O-N 3.26Å; G457-R460 PolarHBondContact O-N 2.95Å; R460-K462 VanDerWaalsContact C-N 3.34Å; R460-I463 PolarHBondContact O-N 2.91Å; R460-A464 WeakPolarHBondContact O-CB 3.44Å; R460-A464 PolarHBondContact O-N 3.49Å
461L65.7Low62.8Low108 Ų108106 Ų10657%0.56556%0.558SS**Hα-helixtrans-61.1-44176.1-157.889.4000111.1G457 V458 A464 Q465G457-L461 PolarHBondContact O-N 2.69Å; V458-L461 WeakPolarHBondContact O-CB 3.36Å; V458-L461 PolarHBondContact O-N 3.06Å; L461-A464 WeakPolarHBondContact O-CB 3.5Å; L461-A464 PolarHBondContact O-N 2.7Å; L461-Q465 WeakPolarHBondContact O-CG 3.36Å; L461-Q465 PolarHBondContact O-N 3.24Å
462K75.5Confident64.6Low122 Ų122103.9 Ų103.953%0.5355%0.548SS..Hα-helixtrans-62.1-47.8179-160.4-179.7-172.2-99.70112.3V458 R460 A464 Q465 E466V458-K462 PolarHBondContact O-N 3.46Å; R460-K462 VanDerWaalsContact C-N 3.34Å; K462-A464 VanDerWaalsContact C-N 3.26Å; K462-A464 PolarHBondContact O-N 2.96Å; K462-Q465 PolarHBondContact O-N 3.5Å; K462-Q465 VanDerWaalsContact O-N 3.13Å; K462-E466 WeakPolarHBondContact CE-OE1 3.33Å; K462-E466 IonicContact NZ-OE1 2.86Å; K462-E466 PolarHBondContact NZ-OE1 3.05Å; K462-E466 WeakPolarHBondContact O-CB 3.16Å; K462-E466 WeakPolarHBondContact O-CG 3.47Å; K462-E466 PolarHBondContact O-N 2.85Å
463I75.1Confident66.3Low74 Ų74100.9 Ų100.938%0.37953%0.533SS..Hα-helixtrans-62.4-33.9176.4-66.4165.3000111.5Q459 R460 R467Q459-I463 WeakPolarHBondContact O-CD1 3.39Å; Q459-I463 WeakPolarHBondContact O-CG1 3.33Å; Q459-I463 PolarHBondContact O-N 3.36Å; R460-I463 PolarHBondContact O-N 2.91Å; I463-R467 WeakPolarHBondContact O-CB 3.36Å; I463-R467 WeakPolarHBondContact O-CG 3.24Å; I463-R467 PolarHBondContact O-N 3.17Å; I463-R467 VanDerWaalsContact O-N 3.08Å
464A70.4Confident67.9Low60 Ų6097.1 Ų97.150%0.49651%0.512SS..Hα-helixtrans-69.8-39.1174.400000112.4R460 L461 K462 A468R460-A464 WeakPolarHBondContact O-CB 3.44Å; R460-A464 PolarHBondContact O-N 3.49Å; L461-A464 WeakPolarHBondContact O-CB 3.5Å; L461-A464 PolarHBondContact O-N 2.7Å; K462-A464 VanDerWaalsContact C-N 3.26Å; K462-A464 PolarHBondContact O-N 2.96Å; A464-A468 WeakPolarHBondContact O-CB 3.24Å; A464-A468 PolarHBondContact O-N 3.27Å
465Q72.5Confident69.2Low109 Ų10993.8 Ų93.851%0.50950%0.499SS..Hα-helixtrans-67.4-43.3174.8-73.5173.3-33.100112.1L461 K462 A468 Q469L461-Q465 WeakPolarHBondContact O-CG 3.36Å; L461-Q465 PolarHBondContact O-N 3.24Å; K462-Q465 PolarHBondContact O-N 3.5Å; K462-Q465 VanDerWaalsContact O-N 3.13Å; Q465-A468 PolarHBondContact O-N 3.41Å; Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 2.84Å
466E79.8Confident70.3Confident80 Ų8096.4 Ų96.437%0.37451%0.509SS..Hα-helixtrans-60.3-48176.2-72.3163.5169.500110.5K462 A468 Q469 E470K462-E466 WeakPolarHBondContact CE-OE1 3.33Å; K462-E466 IonicContact NZ-OE1 2.86Å; K462-E466 PolarHBondContact NZ-OE1 3.05Å; K462-E466 WeakPolarHBondContact O-CB 3.16Å; K462-E466 WeakPolarHBondContact O-CG 3.47Å; K462-E466 PolarHBondContact O-N 2.85Å; E466-A468 VanDerWaalsContact C-N 3.33Å; E466-A468 PolarHBondContact O-N 2.82Å; E466-Q469 PolarHBondContact O-N 3.42Å; E466-E470 WeakPolarHBondContact O-CG 3.07Å; E466-E470 PolarHBondContact O-N 3.21Å
467R78.9Confident70.9Confident175 Ų175102 Ų10266%0.6652%0.522SS*.Hα-helixtrans-64-33.3174.2-74.7178.6176.2-169.5-1.4114I463 S471I463-R467 WeakPolarHBondContact O-CB 3.36Å; I463-R467 WeakPolarHBondContact O-CG 3.24Å; I463-R467 PolarHBondContact O-N 3.17Å; I463-R467 VanDerWaalsContact O-N 3.08Å; R467-S471 WeakPolarHBondContact O-CB 3.48Å; R467-S471 PolarHBondContact O-N 2.75Å; R467-S471 PolarHBondContact O-OG 2.87Å
468A71.1Confident71.3Confident51 Ų51103.7 Ų103.742%0.42152%0.518SS..Hα-helixtrans-68-39175.100000111.3A464 Q465 E466 S471 Q472A464-A468 WeakPolarHBondContact O-CB 3.24Å; A464-A468 PolarHBondContact O-N 3.27Å; Q465-A468 PolarHBondContact O-N 3.41Å; E466-A468 VanDerWaalsContact C-N 3.33Å; E466-A468 PolarHBondContact O-N 2.82Å; A468-S471 PolarHBondContact O-OG 3.19Å; A468-S471 VanDerWaalsContact O-OG 3.08Å; A468-Q472 VanDerWaalsContact O-CB 3.27Å; A468-Q472 WeakPolarHBondContact O-CB 3.29Å; A468-Q472 PolarHBondContact O-N 3.1Å
469Q76.3Confident71.3Confident133 Ų133102.9 Ų102.962%0.62151%0.509SS*.Hα-helixtrans-67.9-41.2174.2-72.3178-1400111.9Q465 E466 Q472 A473Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 2.84Å; E466-Q469 PolarHBondContact O-N 3.42Å; Q469-Q472 PolarHBondContact O-N 2.8Å; Q469-A473 VanDerWaalsContact O-CB 3.28Å; Q469-A473 WeakPolarHBondContact O-CB 3.21Å; Q469-A473 PolarHBondContact O-N 2.94Å
470E73.7Confident71.5Confident138 Ų138101.4 Ų101.465%0.64550%0.504SS*.Hα-helixtrans-60.6-44.6173.7-72.7-177.4141.200112.2E466 A473 S474E466-E470 WeakPolarHBondContact O-CG 3.07Å; E466-E470 PolarHBondContact O-N 3.21Å; E470-A473 CarbonylContact O-C 3.58Å; E470-A473 PolarHBondContact O-N 3.35Å; E470-S474 PolarHBondContact O-N 3.32Å
471S70.6Confident71.4Confident57 Ų5796.4 Ų96.440%0.39950%0.501SS..Hα-helixtrans-71.2-34.317971.50000112.7R467 A468 A473 S474 L475R467-S471 WeakPolarHBondContact O-CB 3.48Å; R467-S471 PolarHBondContact O-N 2.75Å; R467-S471 PolarHBondContact O-OG 2.87Å; A468-S471 PolarHBondContact O-OG 3.19Å; A468-S471 VanDerWaalsContact O-OG 3.08Å; S471-A473 VanDerWaalsContact C-N 3.34Å; S471-S474 PolarHBondContact O-N 2.94Å; S471-S474 PolarHBondContact O-OG 3.46Å; S471-L475 WeakPolarHBondContact O-CB 3.06Å; S471-L475 VanDerWaalsContact O-CG 3.24Å; S471-L475 WeakPolarHBondContact O-CG 3.21Å; S471-L475 PolarHBondContact O-N 3.37Å
472Q71.8Confident71Confident136 Ų13698.5 Ų98.564%0.63651%0.506SS*.Hα-helixtrans-63.8-41.4170-170.5173.79.100110.9A468 Q469 S474 L475 Q476A468-Q472 VanDerWaalsContact O-CB 3.27Å; A468-Q472 WeakPolarHBondContact O-CB 3.29Å; A468-Q472 PolarHBondContact O-N 3.1Å; Q469-Q472 PolarHBondContact O-N 2.8Å; Q472-S474 VanDerWaalsContact C-N 3.33Å; Q472-S474 PolarHBondContact O-N 3.09Å; Q472-L475 PolarHBondContact O-N 3.4Å; Q472-Q476 VanDerWaalsContact O-CB 3.3Å; Q472-Q476 WeakPolarHBondContact O-CB 3.4Å; Q472-Q476 PolarHBondContact O-N 3.01Å
473A73.6Confident70.1Confident47 Ų47102.5 Ų102.539%0.38852%0.517SS..Hα-helixtrans-71.6-19.9176.600000114Q469 E470 S471 R477Q469-A473 VanDerWaalsContact O-CB 3.28Å; Q469-A473 WeakPolarHBondContact O-CB 3.21Å; Q469-A473 PolarHBondContact O-N 2.94Å; E470-A473 CarbonylContact O-C 3.58Å; E470-A473 PolarHBondContact O-N 3.35Å; S471-A473 VanDerWaalsContact C-N 3.34Å; A473-R477 PolarHBondContact O-NE 3.37Å; A473-R477 PolarHBondContact O-NH2 3.28Å
474S73.6Confident68.9Low47 Ų47103.4 Ų103.433%0.32954%0.536SS..Hα-helixtrans-82.4-46.3167.966.50000111.6E470 S471 Q472 Q476 R477 D478E470-S474 PolarHBondContact O-N 3.32Å; S471-S474 PolarHBondContact O-N 2.94Å; S471-S474 PolarHBondContact O-OG 3.46Å; Q472-S474 VanDerWaalsContact C-N 3.33Å; Q472-S474 PolarHBondContact O-N 3.09Å; S474-Q476 VanDerWaalsContact C-N 3.28Å; S474-Q476 PolarHBondContact O-N 2.79Å; S474-R477 PolarHBondContact O-N 3.19Å; S474-R477 VanDerWaalsContact O-N 3.09Å; S474-D478 PolarHBondContact O-N 2.86Å
475L68.4Low68.3Low104 Ų104103.9 Ų103.955%0.54555%0.547SS..Hα-helixtrans-61.6-34.9178.8-72.4168.3000112.5S471 Q472 D478 L479S471-L475 WeakPolarHBondContact O-CB 3.06Å; S471-L475 VanDerWaalsContact O-CG 3.24Å; S471-L475 WeakPolarHBondContact O-CG 3.21Å; S471-L475 PolarHBondContact O-N 3.37Å; Q472-L475 PolarHBondContact O-N 3.4Å; L475-D478 PolarHBondContact O-N 2.89Å; L475-L479 WeakPolarHBondContact O-CG 3.3Å; L475-L479 PolarHBondContact O-N 3.38Å
476Q70.3Confident66.8Low95 Ų95103.8 Ų103.844%0.44456%0.558SS.*Hα-helixtrans-64.2-44.5173.3-1716048.200111.6Q472 S474 D478 L479 D480Q472-Q476 VanDerWaalsContact O-CB 3.3Å; Q472-Q476 WeakPolarHBondContact O-CB 3.4Å; Q472-Q476 PolarHBondContact O-N 3.01Å; S474-Q476 VanDerWaalsContact C-N 3.28Å; S474-Q476 PolarHBondContact O-N 2.79Å; Q476-D478 VanDerWaalsContact C-N 3.34Å; Q476-D478 PolarHBondContact O-N 3.46Å; Q476-L479 PolarHBondContact O-N 2.97Å; Q476-D480 PolarHBondContact NE2-OD1 3.16Å; Q476-D480 PolarHBondContact NE2-OD2 3.41Å; Q476-D480 PolarHBondContact O-N 3.49Å
477R71.1Confident65.1Low170 Ų170105.3 Ų105.364%0.64258%0.577SS**Hα-helixtrans-63.3-37.7175-81.3177.1-75161-2.6112.5A473 S474 L479 G481A473-R477 PolarHBondContact O-NE 3.37Å; A473-R477 PolarHBondContact O-NH2 3.28Å; S474-R477 PolarHBondContact O-N 3.19Å; S474-R477 VanDerWaalsContact O-N 3.09Å; R477-L479 VanDerWaalsContact C-N 3.34Å; R477-G481 PolarHBondContact O-N 2.95Å
478D68.4Low63.1Low93 Ų93105.2 Ų105.250%0.49759%0.588SS.*Hα-helixtrans-67.2-33.4174.2-75.3-10.8000112.6S474 L475 Q476 K482S474-D478 PolarHBondContact O-N 2.86Å; L475-D478 PolarHBondContact O-N 2.89Å; Q476-D478 VanDerWaalsContact C-N 3.34Å; Q476-D478 PolarHBondContact O-N 3.46Å; D478-K482 WeakPolarHBondContact O-CB 3.49Å; D478-K482 WeakPolarHBondContact O-CD 3.44Å; D478-K482 WeakPolarHBondContact O-CG 3.42Å; D478-K482 PolarHBondContact O-N 3.39Å; D478-K482 VanDerWaalsContact O-N 3.11Å
479L65.3Low61.3Low100 Ų100110.9 Ų110.952%0.52461%0.606SS.*Hα-helixtrans-71.5-45.2175.1-78.5167.4000111.9L475 Q476 R477 K482 R483L475-L479 WeakPolarHBondContact O-CG 3.3Å; L475-L479 PolarHBondContact O-N 3.38Å; Q476-L479 PolarHBondContact O-N 2.97Å; R477-L479 VanDerWaalsContact C-N 3.34Å; L479-K482 PolarHBondContact O-N 2.95Å; L479-R483 PolarHBondContact O-N 3.15Å
480D63.1Low59.2Low76 Ų76111.9 Ų111.941%0.40661%0.614SS.*Hα-helixtrans-69.6-36.4179.2-65.6-39.8000111.2Q476 K482 R483 A484Q476-D480 PolarHBondContact NE2-OD1 3.16Å; Q476-D480 PolarHBondContact NE2-OD2 3.41Å; Q476-D480 PolarHBondContact O-N 3.49Å; D480-K482 VanDerWaalsContact C-N 3.35Å; D480-K482 PolarHBondContact O-N 3.03Å; D480-R483 PolarHBondContact O-N 3.04Å; D480-A484 PolarHBondContact O-N 2.85Å
481G64.1Low57.1Low50 Ų50114.3 Ų114.352%0.51562%0.622SS.*Hα-helixtrans-61.5-37.5169.100000113.5R477 A484R477-G481 PolarHBondContact O-N 2.95Å; G481-A484 PolarHBondContact O-N 3.1Å
482K57.8Low55.1Low152 Ų152118.6 Ų118.666%0.66164%0.636SS**Hα-helixtrans-72.7-29.5174.8-76.9167.1-175165.70113.2D478 L479 D480 A484 G485D478-K482 WeakPolarHBondContact O-CB 3.49Å; D478-K482 WeakPolarHBondContact O-CD 3.44Å; D478-K482 WeakPolarHBondContact O-CG 3.42Å; D478-K482 PolarHBondContact O-N 3.39Å; D478-K482 VanDerWaalsContact O-N 3.11Å; L479-K482 PolarHBondContact O-N 2.95Å; D480-K482 VanDerWaalsContact C-N 3.35Å; D480-K482 PolarHBondContact O-N 3.03Å; K482-A484 VanDerWaalsContact C-N 3.33Å; K482-G485 PolarHBondContact O-N 3.33Å
483R55.5Low53.1Low205 Ų205119.6 Ų119.677%0.77464%0.641SS**Hα-helixtrans-70.3-26.8173.7-79.7179.9165.4-177-4.9113.4L479 D480 G485L479-R483 PolarHBondContact O-N 3.15Å; D480-R483 PolarHBondContact O-N 3.04Å; R483-G485 VanDerWaalsContact C-N 3.29Å; R483-G485 PolarHBondContact O-N 3.43Å
484A51.6Low51.6Low94 Ų94123.1 Ų123.178%0.77766%0.66SS**THydrogen-bonded Turntrans-77.9-6.9177.500000114.7D480 G481 K482D480-A484 PolarHBondContact O-N 2.85Å; G481-A484 PolarHBondContact O-N 3.1Å; K482-A484 VanDerWaalsContact C-N 3.33Å
485G57.4Low49.3Very low69 Ų69128 Ų12871%0.71168%0.682SS**SBendtrans-131.617.4-163.600000117.3K482 R483K482-G485 PolarHBondContact O-N 3.33Å; R483-G485 VanDerWaalsContact C-N 3.29Å; R483-G485 PolarHBondContact O-N 3.43Å
486S41.1Very low47.3Very low108 Ų108127.9 Ų127.976%0.75569%0.689SS**  trans-143.7123.9179.1-171.40000113.4
487S42.5Very low45.2Very low111 Ų111130.9 Ų130.978%0.77671%0.708SS**  trans-140.1111.1176.856.40000110.6
488I36.8Very low43.2Very low173 Ų173126.6 Ų126.689%0.88772%0.717SS**  trans-168.4153.9166.4-103.5149.3000109.8
489Q33.8Very low41.3Very low171 Ų171126.9 Ų126.980%0.79973%0.732SS**  trans-91-174.7179.9-66.9179.4-1100111.5
490I32.3Very low39.6Very low153 Ų153130.7 Ų130.779%0.78575%0.747SS**  cis-153.4177.420.1-12.9164.7000106
491K29.5Very low38.1Very low189 Ų189135.3 Ų135.382%0.82277%0.766SS**  cis-154.5-150.514.5-157.2-172.2164.7-175.40109.7
492Q29.4Very low36.4Very low147 Ų147139 Ų13969%0.68777%0.774SS**  trans-143.8148.3-170.7-72170.8-94.200113.5
493E30.5Very low35Very low158 Ų158139.6 Ų139.674%0.73878%0.781SS**  trans63.2170.1133.7-71.3168.9-125.100121.3
494P41.8Very low33.7Very low120 Ų120137 Ų13778%0.77978%0.782SS**  cis-134.2-167.28.837.3-14.8000118.2
495N25.1Very low32.4Very low149 Ų149143.4 Ų143.480%0.79779%0.788SS**  trans-69.5165.7-173.1-69.7-8.6000119.4
496C25.2Very low30.9Very low102 Ų102145.1 Ų145.169%0.68979%0.789SS**  141.4127.7109.8-104.90000117.5
497D27.3Very low30.2Very low158 Ų158145.4 Ų145.485%0.84579%0.791SS**  trans48.6134144.9-52.7-40.3000124.8
498G28.2Very low29.4Very low81 Ų81145.9 Ų145.984%0.83579%0.794SS**  trans162.2126.5164.200000114.1
499A28.8Very low28.9Very low98 Ų98145.4 Ų145.481%0.8179%0.792SS**  trans-89.6173172.200000110.6
500E29.7Very low28.6Very low181 Ų181146.4 Ų146.485%0.84680%0.796SS**  cis-145.7167.828-62.2174140.100113.3
501E31.2Very low28.4Very low172 Ų172146.3 Ų146.380%0.80480%0.797SS**  trans16.9153.2147-63.2-165165.300122.4
502L28.4Very low28.3Very low128 Ų128140.6 Ų140.667%0.6779%0.792SS**  cis-163.2152.2-2.5-107.4165.5000105.3
503M29.9Very low28.2Very low165 Ų165138.9 Ų138.981%0.81380%0.796SS**  -169.5177.859.2-102.4-145.3-177.600111.2
504D26.3Very low28Very low150 Ų150140.8 Ų140.880%0.80280%0.802SS**  trans-63.8157.1-167.3-65.7-68.6000119.7
505Y25.6Very low27.4Very low229 Ų229141.8 Ų141.890%0.89880%0.801SS**  trans-127.6150.7163.4-116.3-89.8000110.7
506S26.5Very low27.4Very low105 Ų105138.4 Ų138.473%0.73480%0.801SS**  trans-86.6131.7-169.546.40000115.7
507S25.6Very low27.5Very low114 Ų114144.4 Ų144.480%0.79781%0.811SS**  trans25.6115.9147.462.20000119.7
508S25.4Very low28Very low121 Ų121142.1 Ų142.185%0.84681%0.805SS**  trans-109.1151.6156.459.50000111
509I27.1Very low27.8Very low162 Ų162143.8 Ų143.883%0.83180%0.803SS**  trans-111.5134.6173.6-67.9168.5000108.4
510H26Very low27.7Very low192 Ų192143.6 Ų143.689%0.88980%0.802SS**  trans-142.7164.7165.8-118.354.1000113.4
511N29.5Very low27.4Very low152 Ų152140 Ų14081%0.81380%0.804SS**  trans-97.4156-160.5-16410.1000112.5
512G25.9Very low27.2Very low68 Ų68137.5 Ų137.570%0.70181%0.805SS**  trans-165.5138.3177.200000113.2
513S28.3Very low27.4Very low111 Ų111137.5 Ų137.578%0.77681%0.812SS**  trans-132.2146-177.5-51.10000111.5
514F25.3Very low27.1Very low198 Ų198135.5 Ų135.587%0.86881%0.813SS**  trans-157.1171.2141.5-143-108.5000113.8
515N30.9Very low27.2Very low142 Ų142135 Ų13576%0.75981%0.81SS**  trans-84.4154.9-168.4-74.7-34.8000115.7
516G25.3Very low27.2Very low77 Ų77131.9 Ų131.979%0.79481%0.809SS**  trans-172.2123.3161.400000113.4
517Y25.3Very low27.5Very low229 Ų229135 Ų13590%0.89881%0.811SS**  trans-128.7165.3173.6-90.4-73.5000107.9
518P39.2Very low27.7Very low110 Ų110135.5 Ų135.571%0.71481%0.81SS**  cis-136.2-179.3-19.136.8-18.5000114.9
519S23.7Very low28Very low115 Ų115137.3 Ų137.380%0.80481%0.81SS**  trans97.2145.3137.8-141.10000122.6
520A25.7Very low28.5Very low95 Ų95134 Ų13479%0.78582%0.816SS**  trans62.3100151.500000122.1
521A24.4Very low28.5Very low106 Ų106128.1 Ų128.188%0.87681%0.808SS**  -160.7148.1121.100000111.1
522S26.5Very low28.5Very low118 Ų118126.5 Ų126.583%0.82581%0.808SS**  trans-88.8160.9175.9-68.60000111.7
523P32.8Very low28.9Very low128 Ų128129.3 Ų129.383%0.83181%0.814SS**  trans-75.9152.5-173.731.8-36.4000112.7
524C23.4Very low29.3Very low124 Ų124128.6 Ų128.684%0.83881%0.809SS**  trans-108.6130163.1-157.30000108.7
525L29.8Very low30.1Very low139 Ų139125.6 Ų125.673%0.72880%0.802SS**  trans-76.3148.1168.9-70123.4000109.6
526D23.9Very low31Very low164 Ų164123.2 Ų123.288%0.87780%0.796SS**  trans-145.2126.6150.9-109.7-38.7000109.6
527H34.4Very low32.8Very low169 Ų169120.4 Ų120.478%0.78276%0.763SS**  trans-108.9109.8-179.3-90.3-84.3000110.3
528T29.3Very low35.3Very low126 Ų126111.2 Ų111.277%0.77373%0.733SS**  trans-143.5122.9158.154.70000113.2
529N30.3Very low37.3Very low158 Ų158110.2 Ų110.285%0.84573%0.726SS**  trans51.7105.3147.7-61.1-19.3000120.5G531N529-G531 PolarHBondContact O-N 3.46Å
530G38.9Very low40.1Very low93 Ų93107.9 Ų107.996%0.95970%0.702SS**  62.554.2107.800000118.2
531G25Very low43.1Very low69 Ų69103.4 Ų103.471%0.71167%0.665SS**  trans-116.2150162.900000111.4N529N529-G531 PolarHBondContact O-N 3.46Å
532S30.3Very low46.2Very low117 Ų117101.8 Ų101.882%0.81864%0.639SS**PPolyproline II helixtrans-56.1142.9174.2-550000111.3S534S532-S534 PolarHBondContact O-N 2.94Å
533P34.8Very low49.2Very low127 Ų12799.2 Ų99.283%0.82562%0.617SS**PPolyproline II helixtrans-58.3134.3175.525.3-33.7000110
534S35.9Very low52Low97 Ų9793.7 Ų93.768%0.67858%0.579SS**PPolyproline II helixtrans-58.7138.1-179.4500000110.8S532 S536S532-S534 PolarHBondContact O-N 2.94Å; S534-S536 PolarHBondContact O-N 3.04Å; S534-S536 PolarHBondContact O-OG 2.96Å; S534-S536 PolarHBondContact OG-OG 2.85Å
535N42.6Very low55.3Low134 Ų13487.8 Ų87.872%0.71754%0.539SS*.  trans-76.634.7-172-151.517.1000113.7L537N535-L537 PolarHBondContact O-N 3.05Å
536S50.2Low58.3Low92 Ų9283.7 Ų83.764%0.64352%0.52SS*.  trans-88.479-179.551.80000110.3S534S534-S536 PolarHBondContact O-N 3.04Å; S534-S536 PolarHBondContact O-OG 2.96Å; S534-S536 PolarHBondContact OG-OG 2.85Å
537L61.6Low61.5Low18 Ų1881.4 Ų81.49%0.09450%0.503CS..  trans-57.9139.1167.2-80.7149.7000110.2N535 L541 Q542 M585 D588 A589 L592N535-L537 PolarHBondContact O-N 3.05Å; L537-L541 HydrophobicContact CD2-CD2 3.97Å; L537-Q542 PolarHBondContact O-NE2 2.85Å; L537-M585 HydrophobicContact CD2-CB 4.11Å; L537-D588 HydrophobicContact CD1-CB 3.94Å; L537-A589 HydrophobicContact CD1-CB 4.36Å; L537-A589 HydrophobicContact CD2-CB 4.43Å; L537-L592 HydrophobicContact CD1-CD1 3.69Å; L537-L592 HydrophobicContact CD1-CG 4.48Å
538S78.2Confident64.3Low37 Ų3774.1 Ų74.126%0.25947%0.47SS..  trans-60.1138.4-172.359.60000112.3E540 L541 Q542S538-E540 WeakPolarHBondContact CB-OE2 3.37Å; S538-E540 PolarHBondContact O-N 2.7Å; S538-L541 WeakPolarHBondContact O-CB 3.4Å; S538-L541 PolarHBondContact O-N 2.92Å; S538-L541 WeakPolarHBondContact OG-CB 3.4Å; S538-Q542 PolarHBondContact O-N 3.04Å
539P80.9Confident67.3Low89 Ų8968.2 Ų68.258%0.57843%0.434SS*.Hα-helixtrans-62.7-28.4-174.824.4-32.7000112.4L541 Q542 D543P539-L541 VanDerWaalsContact C-N 3.32Å; P539-L541 PolarHBondContact O-N 2.63Å; P539-Q542 PolarHBondContact O-N 2.6Å; P539-D543 VanDerWaalsContact O-CB 3.32Å; P539-D543 WeakPolarHBondContact O-CB 3.46Å; P539-D543 PolarHBondContact O-N 2.72Å
540E84.2Confident70.1Confident66 Ų6667 Ų6731%0.30842%0.423SS..Hα-helixtrans-66.9-31.9174.8-56.574.8-163.500112.3S538 F544 V577 F578S538-E540 WeakPolarHBondContact CB-OE2 3.37Å; S538-E540 PolarHBondContact O-N 2.7Å; E540-F544 WeakPolarHBondContact O-CB 3.45Å; E540-F544 PolarHBondContact O-N 3.43Å; E540-V577 HydrophobicContact CG-CB 4.22Å; E540-V577 HydrophobicContact CG-CG1 3.91Å; E540-V577 HydrophobicContact CG-CG2 4.45Å; E540-F578 HydrophobicContact CB-CE1 3.7Å; E540-F578 HydrophobicContact CB-CZ 3.62Å
541L87.9Confident72.5Confident0 Ų070.4 Ų70.40%041%0.411CS..Hα-helixtrans-75.8-39.4176.1-177.660.4000110.4L537 S538 P539 F544 V545 F564 F578 I581 L586 A589L537-L541 HydrophobicContact CD2-CD2 3.97Å; S538-L541 WeakPolarHBondContact O-CB 3.4Å; S538-L541 PolarHBondContact O-N 2.92Å; S538-L541 WeakPolarHBondContact OG-CB 3.4Å; P539-L541 VanDerWaalsContact C-N 3.32Å; P539-L541 PolarHBondContact O-N 2.63Å; L541-F544 HydrophobicContact CD1-CD1 4.21Å; L541-F544 PolarHBondContact O-N 3.01Å; L541-V545 HydrophobicContact CD1-CG2 4.39Å; L541-V545 WeakPolarHBondContact O-CB 3.19Å; L541-V545 VanDerWaalsContact O-CG2 3.31Å; L541-V545 WeakPolarHBondContact O-CG2 3.35Å; L541-V545 PolarHBondContact O-N 3.47Å; L541-F564 HydrophobicContact CD1-CD2 4.4Å; L541-F564 HydrophobicContact CD1-CE2 3.92Å; L541-F564 HydrophobicContact CD1-CZ 4.34Å; L541-F578 HydrophobicContact CB-CE1 3.91Å; L541-I581 HydrophobicContact CD1-CD1 4.49Å; L541-I581 HydrophobicContact CD2-CD1 4.28Å; L541-I581 HydrophobicContact CD2-CG1 4.11Å; L541-L586 HydrophobicContact CD1-CD1 4.14Å; L541-A589 HydrophobicContact CD2-CB 3.93Å; L541-A589 HydrophobicContact CG-CB 3.95Å
542Q88.7Confident75.7Confident72 Ų7270 Ų7034%0.33639%0.391SS..Hα-helixtrans-63.9-41.9174-61.1-175.818.300111.3L537 S538 P539 V545 T546L537-Q542 PolarHBondContact O-NE2 2.85Å; S538-Q542 PolarHBondContact O-N 3.04Å; P539-Q542 PolarHBondContact O-N 2.6Å; Q542-V545 PolarHBondContact O-N 3.49Å; Q542-T546 WeakPolarHBondContact O-CB 3.44Å; Q542-T546 PolarHBondContact O-N 2.73Å; Q542-T546 PolarHBondContact O-OG1 3Å
543D89Confident78.6Confident65 Ų6565.3 Ų65.335%0.34836%0.357SS..Hα-helixtrans-61.9-47.6174.2-18072000112.1P539 V545 T546 K547P539-D543 VanDerWaalsContact O-CB 3.32Å; P539-D543 WeakPolarHBondContact O-CB 3.46Å; P539-D543 PolarHBondContact O-N 2.72Å; D543-V545 PolarHBondContact O-N 2.92Å; D543-T546 PolarHBondContact O-N 2.78Å; D543-K547 WeakPolarHBondContact O-CB 3.1Å; D543-K547 WeakPolarHBondContact O-CG 3.38Å; D543-K547 PolarHBondContact O-N 3.36Å; D543-K547 WeakPolarHBondContact OD1-CE 3.43Å; D543-K547 IonicContact OD1-NZ 2.77Å; D543-K547 PolarHBondContact OD1-NZ 3.36Å; D543-K547 WeakPolarHBondContact OD2-CE 3.48Å; D543-K547 IonicContact OD2-NZ 3.64Å; D543-K547 PolarHBondContact OD2-NZ 3.05Å
544F92.9Very high81.4Confident11 Ų1159.4 Ų59.45%0.04832%0.319CS..Hα-helixtrans-57.1-49.8174.3163.4-97.4000112E540 L541 T548 L560 L563 F564 Y567E540-F544 WeakPolarHBondContact O-CB 3.45Å; E540-F544 PolarHBondContact O-N 3.43Å; L541-F544 HydrophobicContact CD1-CD1 4.21Å; L541-F544 PolarHBondContact O-N 3.01Å; F544-T548 VanDerWaalsContact CE2-OG1 3.26Å; F544-T548 WeakPolarHBondContact CE2-OG1 3.5Å; F544-T548 HydrophobicContact CZ-CG2 4.47Å; F544-T548 WeakPolarHBondContact CZ-OG1 3.33Å; F544-T548 WeakPolarHBondContact O-CB 3.46Å; F544-T548 PolarHBondContact O-N 3.03Å; F544-T548 PolarHBondContact O-OG1 2.89Å; F544-L560 HydrophobicContact CE1-CD1 4Å; F544-L560 HydrophobicContact CZ-CD1 4.26Å; F544-L563 HydrophobicContact CZ-CB 4.39Å; F544-F564 AromaticContact CD1-CD2 3.63Å; F544-F564 HydrophobicContact CD1-CD2 3.63Å; F544-F564 HydrophobicContact CD1-CE2 4.29Å; F544-F564 HydrophobicContact CD2-CD2 4.35Å; F544-F564 HydrophobicContact CE1-CB 3.77Å; F544-F564 AromaticContact CE1-CD2 3.57Å; F544-F564 HydrophobicContact CE1-CD2 3.57Å; F544-F564 HydrophobicContact CE1-CG 4.07Å; F544-F564 HydrophobicContact CE2-CB 4.47Å; F544-F564 HydrophobicContact CE2-CD2 4.28Å; F544-F564 HydrophobicContact CG-CD2 4.05Å; F544-F564 VanDerWaalsContact CZ-CA 3.43Å; F544-F564 HydrophobicContact CZ-CB 3.66Å; F544-F564 AromaticContact CZ-CD2 3.92Å; F544-F564 HydrophobicContact CZ-CD2 3.92Å; F544-F564 HydrophobicContact CZ-CG 4.29Å; F544-Y567 HydrophobicContact CB-CD1 4.1Å; F544-Y567 HydrophobicContact CB-CE1 3.85Å; F544-Y567 AromaticContact CD2-CD1 3.39Å; F544-Y567 HydrophobicContact CD2-CD1 3.39Å; F544-Y567 HydrophobicContact CD2-CD2 4.24Å; F544-Y567 AromaticContact CD2-CE1 3.98Å; F544-Y567 HydrophobicContact CD2-CE1 3.98Å; F544-Y567 AromaticContact CD2-CG 3.53Å; F544-Y567 HydrophobicContact CD2-CG 3.53Å; F544-Y567 HydrophobicContact CE2-CD1 4.11Å; F544-Y567 AromaticContact CE2-CG 3.99Å; F544-Y567 HydrophobicContact CE2-CG 3.99Å; F544-Y567 AromaticContact CG-CD1 3.85Å; F544-Y567 HydrophobicContact CG-CD1 3.85Å; F544-Y567 HydrophobicContact CG-CE1 4.13Å; F544-Y567 HydrophobicContact CG-CG 4.43Å
545V93.3Very high84.2Confident0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-64.2-47.1-178.7169.40000110.4L541 Q542 D543 T548 F549 L586 A589 V590 C593L541-V545 HydrophobicContact CD1-CG2 4.39Å; L541-V545 WeakPolarHBondContact O-CB 3.19Å; L541-V545 VanDerWaalsContact O-CG2 3.31Å; L541-V545 WeakPolarHBondContact O-CG2 3.35Å; L541-V545 PolarHBondContact O-N 3.47Å; Q542-V545 PolarHBondContact O-N 3.49Å; D543-V545 PolarHBondContact O-N 2.92Å; V545-T548 WeakPolarHBondContact O-CB 3.49Å; V545-T548 PolarHBondContact O-N 2.89Å; V545-T548 VanDerWaalsContact O-N 3.14Å; V545-F549 HydrophobicContact CG1-CD2 3.92Å; V545-F549 HydrophobicContact CG1-CE2 4.22Å; V545-F549 WeakPolarHBondContact O-CD2 3.49Å; V545-F549 PolarHBondContact O-N 3.11Å; V545-L586 HydrophobicContact CG2-CD1 4.35Å; V545-A589 HydrophobicContact CG2-CB 4.07Å; V545-V590 HydrophobicContact CG1-CB 4.43Å; V545-V590 HydrophobicContact CG1-CG2 3.86Å; V545-V590 HydrophobicContact CG2-CG2 4.43Å; V545-C593 HydrophobicContact CB-CB 4.34Å; V545-C593 HydrophobicContact CG1-CB 3.6Å
546T91.2Very high86.6Confident53 Ų5349.3 Ų49.333%0.32526%0.257SS..Hα-helixtrans-58.3-52179.5-60.60000111.3Q542 D543 T548 F549 Q550Q542-T546 WeakPolarHBondContact O-CB 3.44Å; Q542-T546 PolarHBondContact O-N 2.73Å; Q542-T546 PolarHBondContact O-OG1 3Å; D543-T546 PolarHBondContact O-N 2.78Å; T546-T548 VanDerWaalsContact C-N 3.26Å; T546-T548 PolarHBondContact O-N 3.12Å; T546-F549 PolarHBondContact O-N 3.09Å; T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 VanDerWaalsContact O-CG 3.24Å; T546-Q550 WeakPolarHBondContact O-CG 3.37Å; T546-Q550 PolarHBondContact O-N 3.26Å
547K91.6Very high88.6Confident117 Ų11744.9 Ų44.951%0.50923%0.227SC..Hα-helixtrans-62.5-33.5176.7-73169.7177160.60112.6D543 K551D543-K547 WeakPolarHBondContact O-CB 3.1Å; D543-K547 WeakPolarHBondContact O-CG 3.38Å; D543-K547 PolarHBondContact O-N 3.36Å; D543-K547 WeakPolarHBondContact OD1-CE 3.43Å; D543-K547 IonicContact OD1-NZ 2.77Å; D543-K547 PolarHBondContact OD1-NZ 3.36Å; D543-K547 WeakPolarHBondContact OD2-CE 3.48Å; D543-K547 IonicContact OD2-NZ 3.64Å; D543-K547 PolarHBondContact OD2-NZ 3.05Å; K547-K551 PolarHBondContact O-N 3.31Å
548T94Very high90Very high16 Ų1647.3 Ų47.310%0.09824%0.24CC..Hα-helixtrans-68.3-48.6178-66.10000111.6F544 V545 T546 K551 H552 L555 L560 L563F544-T548 VanDerWaalsContact CE2-OG1 3.26Å; F544-T548 WeakPolarHBondContact CE2-OG1 3.5Å; F544-T548 HydrophobicContact CZ-CG2 4.47Å; F544-T548 WeakPolarHBondContact CZ-OG1 3.33Å; F544-T548 WeakPolarHBondContact O-CB 3.46Å; F544-T548 PolarHBondContact O-N 3.03Å; F544-T548 PolarHBondContact O-OG1 2.89Å; V545-T548 WeakPolarHBondContact O-CB 3.49Å; V545-T548 PolarHBondContact O-N 2.89Å; V545-T548 VanDerWaalsContact O-N 3.14Å; T546-T548 VanDerWaalsContact C-N 3.26Å; T546-T548 PolarHBondContact O-N 3.12Å; T548-K551 PolarHBondContact O-N 3.09Å; T548-H552 WeakPolarHBondContact O-CB 3.46Å; T548-H552 PolarHBondContact O-N 3.07Å; T548-L555 HydrophobicContact CG2-CD1 3.64Å; T548-L560 HydrophobicContact CG2-CD1 3.85Å; T548-L563 HydrophobicContact CG2-CD1 3.87Å
549F92.3Very high90.6Very high2 Ų248.4 Ų48.41%0.00924%0.241CC..Hα-helixtrans-74.5-31.2-179.9-82.2-89.1000113.6V545 T546 K551 H552 V553 L555 L560 V590 C595 F616 L618V545-F549 HydrophobicContact CG1-CD2 3.92Å; V545-F549 HydrophobicContact CG1-CE2 4.22Å; V545-F549 WeakPolarHBondContact O-CD2 3.49Å; V545-F549 PolarHBondContact O-N 3.11Å; T546-F549 PolarHBondContact O-N 3.09Å; F549-K551 PolarHBondContact O-N 3.11Å; F549-H552 WeakPolarHBondContact CD1-O 3.44Å; F549-H552 CarbonylContact O-C 3.58Å; F549-H552 PolarHBondContact O-N 3.1Å; F549-V553 PolarHBondContact O-N 3.4Å; F549-L555 HydrophobicContact CE1-CB 3.97Å; F549-L555 HydrophobicContact CE1-CD1 4.19Å; F549-L555 HydrophobicContact CE1-CG 4.24Å; F549-L555 HydrophobicContact CE2-CD1 4.15Å; F549-L555 HydrophobicContact CZ-CB 3.97Å; F549-L555 HydrophobicContact CZ-CD1 3.96Å; F549-L555 HydrophobicContact CZ-CG 4.36Å; F549-L560 HydrophobicContact CE2-CD1 3.94Å; F549-L560 HydrophobicContact CE2-CD2 4.11Å; F549-L560 HydrophobicContact CZ-CD2 4.48Å; F549-V590 HydrophobicContact CE2-CG1 4.05Å; F549-V590 HydrophobicContact CE2-CG2 3.79Å; F549-V590 HydrophobicContact CZ-CG1 3.99Å; F549-V590 HydrophobicContact CZ-CG2 4.29Å; F549-C595 VanDerWaalsContact CD1-SG 3.52Å; F549-C595 WeakPolarHBondContact CG-SG 3.48Å; F549-F616 HydrophobicContact CE1-CB 3.92Å; F549-F616 HydrophobicContact CZ-CB 3.83Å; F549-L618 HydrophobicContact CB-CD1 4.36Å
550Q88.6Confident91.2Very high133 Ų13344.2 Ų44.262%0.62121%0.214SC*.Hα-helixtrans-55.2-34.2167.9-78.1174.4-300112.5T546T546-Q550 WeakPolarHBondContact O-CB 3.46Å; T546-Q550 VanDerWaalsContact O-CG 3.24Å; T546-Q550 WeakPolarHBondContact O-CG 3.37Å; T546-Q550 PolarHBondContact O-N 3.26Å
551K89.5Confident91.6Very high163 Ų16343.3 Ų43.371%0.70921%0.208SC*.Hα-helixtrans-89.5-30.7176.6-174.1-177.7173.2-173.40113.2K547 T548 F549K547-K551 PolarHBondContact O-N 3.31Å; T548-K551 PolarHBondContact O-N 3.09Å; F549-K551 PolarHBondContact O-N 3.11Å
552H91.4Very high91.8Very high61 Ų6148.8 Ų48.828%0.28223%0.229SC..  trans-129.482.5-174.1-62.6-85.2000110.4T548 F549 V554 L555T548-H552 WeakPolarHBondContact O-CB 3.46Å; T548-H552 PolarHBondContact O-N 3.07Å; F549-H552 WeakPolarHBondContact CD1-O 3.44Å; F549-H552 CarbonylContact O-C 3.58Å; F549-H552 PolarHBondContact O-N 3.1Å; H552-V554 PolarHBondContact O-N 2.71Å; H552-L555 HydrophobicContact CB-CD1 3.91Å; H552-L555 HydrophobicContact CB-CD2 3.72Å; H552-L555 HydrophobicContact CB-CG 3.78Å
553V91.6Very high92Very high18 Ų1846.7 Ų46.711%0.10922%0.22CC..SBendtrans-52.9-28.2-172.9-176.20000114.1F549 G617 L618 R629 Y633 E669F549-V553 PolarHBondContact O-N 3.4Å; V553-G617 WeakPolarHBondContact O-CA 3.44Å; V553-L618 HydrophobicContact CG1-CB 4.27Å; V553-L618 PolarHBondContact O-N 2.71Å; V553-R629 VanDerWaalsContact CG1-CD 3.48Å; V553-Y633 PolarHBondContact O-OH 3.39Å; V553-E669 HydrophobicContact CG2-CB 4.33Å
554V94.6Very high92.1Very high3 Ų344.2 Ų44.22%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-137.6132.6175.1-178.50000110H552 V615 F616 Y633 C670 L680H552-V554 PolarHBondContact O-N 2.71Å; V554-V615 HydrophobicContact CG1-CG1 3.83Å; V554-F616 WeakPolarHBondContact CA-O 3.27Å; V554-Y633 HydrophobicContact CG2-CE1 3.75Å; V554-C670 HydrophobicContact CG2-CB 3.89Å; V554-L680 HydrophobicContact CG1-CB 4.21Å; V554-L680 HydrophobicContact CG1-CD2 4.39Å; V554-L680 HydrophobicContact CG2-CD2 4.38Å
555L94.3Very high92Very high8 Ų848.5 Ų48.54%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-141.9157.9-179.2-71.5179.3000112T548 F549 H552 E559 L560 L563 F616T548-L555 HydrophobicContact CG2-CD1 3.64Å; F549-L555 HydrophobicContact CE1-CB 3.97Å; F549-L555 HydrophobicContact CE1-CD1 4.19Å; F549-L555 HydrophobicContact CE1-CG 4.24Å; F549-L555 HydrophobicContact CE2-CD1 4.15Å; F549-L555 HydrophobicContact CZ-CB 3.97Å; F549-L555 HydrophobicContact CZ-CD1 3.96Å; F549-L555 HydrophobicContact CZ-CG 4.36Å; H552-L555 HydrophobicContact CB-CD1 3.91Å; H552-L555 HydrophobicContact CB-CD2 3.72Å; H552-L555 HydrophobicContact CB-CG 3.78Å; L555-E559 HydrophobicContact CD2-CB 4.3Å; L555-E559 HydrophobicContact CD2-CG 3.62Å; L555-L560 HydrophobicContact CD1-CD1 4.16Å; L555-L563 HydrophobicContact CD1-CD1 4.03Å; L555-L563 HydrophobicContact CD2-CD1 4.2Å; L555-F616 PolarHBondContact N-O 3.05Å; L555-F616 PolarHBondContact O-N 3.42Å
556T93.6Very high91.8Very high11 Ų1153.1 Ų53.17%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-93.7160.1162.260.30000110.6N558 E559 L560 K614 V615T556-N558 PolarHBondContact O-N 2.9Å; T556-E559 PolarHBondContact O-N 3.07Å; T556-E559 PolarHBondContact OG1-N 2.92Å; T556-L560 PolarHBondContact O-N 2.7Å; T556-K614 CarbonylContact C-O 3.49Å; T556-K614 VanDerWaalsContact CA-O 3.26Å; T556-K614 WeakPolarHBondContact CA-O 3.39Å; T556-V615 HydrophobicContact CG2-CG2 4.45Å
557L92.2Very high91.6Very high0 Ų054 Ų540%025%0.252CS..Hα-helixtrans-59.8-36.1174.4-175.559.5000111.6L560 K561 L586 Q587 D611 K614 F616L557-L560 PolarHBondContact O-N 3.07Å; L557-K561 HydrophobicContact CD1-CD 4.32Å; L557-K561 HydrophobicContact CD1-CG 4.36Å; L557-K561 HydrophobicContact CG-CD 3.9Å; L557-K561 HydrophobicContact CG-CG 4.42Å; L557-K561 WeakPolarHBondContact O-CB 3.41Å; L557-K561 WeakPolarHBondContact O-CD 3.46Å; L557-K561 WeakPolarHBondContact O-CG 3.32Å; L557-K561 PolarHBondContact O-N 2.86Å; L557-L586 HydrophobicContact CD1-CD2 4.13Å; L557-L586 HydrophobicContact CD1-CG 4.38Å; L557-Q587 HydrophobicContact CD1-CG 3.91Å; L557-Q587 HydrophobicContact CD2-CG 3.88Å; L557-D611 HydrophobicContact CB-CB 4.31Å; L557-D611 WeakPolarHBondContact CB-O 3.44Å; L557-D611 HydrophobicContact CD2-CB 4.2Å; L557-D611 HydrophobicContact CG-CB 4.39Å; L557-K614 HydrophobicContact CB-CB 4Å; L557-K614 HydrophobicContact CB-CD 4.48Å; L557-K614 HydrophobicContact CD2-CD 3.65Å; L557-K614 PolarHBondContact N-O 3.01Å; L557-F616 HydrophobicContact CB-CE2 4.26Å
558N90.7Very high91.3Very high69 Ų6951 Ų5137%0.36924%0.241SC..Hα-helixtrans-61.3-47.2174.8-168.612.9000111.9T556 K561 R562 E612T556-N558 PolarHBondContact O-N 2.9Å; N558-K561 PolarHBondContact O-N 3.33Å; N558-R562 PolarHBondContact O-N 2.88Å; N558-E612 HydrophobicContact CB-CG 3.79Å; N558-E612 WeakPolarHBondContact ND2-CG 3.5Å; N558-E612 PolarHBondContact ND2-OE1 2.92Å
559E91.2Very high90.7Very high60 Ų6054.4 Ų54.428%0.2827%0.271SS..Hα-helixtrans-68.1-36.4178-178.264-177.900112.2L555 T556 R562 L563L555-E559 HydrophobicContact CD2-CB 4.3Å; L555-E559 HydrophobicContact CD2-CG 3.62Å; T556-E559 PolarHBondContact O-N 3.07Å; T556-E559 PolarHBondContact OG1-N 2.92Å; E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 IonicContact OE1-CZ 3.62Å; E559-R562 IonicContact OE1-NE 2.7Å; E559-R562 PolarHBondContact OE1-NE 2.78Å; E559-R562 IonicContact OE1-NH2 2.69Å; E559-R562 PolarHBondContact OE1-NH2 3.16Å; E559-R562 IonicContact OE2-CZ 3.92Å; E559-R562 IonicContact OE2-NE 2.71Å; E559-R562 PolarHBondContact OE2-NE 2.86Å; E559-R562 IonicContact OE2-NH2 2.67Å; E559-L563 HydrophobicContact CG-CD1 4.37Å; E559-L563 WeakPolarHBondContact O-CG 3.43Å; E559-L563 PolarHBondContact O-N 2.88Å
560L92.7Very high90.2Very high1 Ų158.3 Ų58.31%0.00530%0.298CS..Hα-helixtrans-63.6-44.1173.1-177.264.3000111.7F544 T548 F549 L555 T556 L557 R562 L563 F564 L586 V590F544-L560 HydrophobicContact CE1-CD1 4Å; F544-L560 HydrophobicContact CZ-CD1 4.26Å; T548-L560 HydrophobicContact CG2-CD1 3.85Å; F549-L560 HydrophobicContact CE2-CD1 3.94Å; F549-L560 HydrophobicContact CE2-CD2 4.11Å; F549-L560 HydrophobicContact CZ-CD2 4.48Å; L555-L560 HydrophobicContact CD1-CD1 4.16Å; T556-L560 PolarHBondContact O-N 2.7Å; L557-L560 PolarHBondContact O-N 3.07Å; L560-R562 VanDerWaalsContact C-N 3.29Å; L560-R562 PolarHBondContact O-N 2.9Å; L560-L563 PolarHBondContact O-N 3.35Å; L560-F564 WeakPolarHBondContact O-CB 3.21Å; L560-F564 PolarHBondContact O-N 3.41Å; L560-L586 HydrophobicContact CD2-CD1 4.01Å; L560-L586 HydrophobicContact CD2-CD2 4.24Å; L560-L586 HydrophobicContact CD2-CG 3.9Å; L560-L586 HydrophobicContact CG-CD1 4.24Å; L560-L586 HydrophobicContact CG-CD2 4.21Å; L560-L586 HydrophobicContact CG-CG 4.32Å; L560-V590 HydrophobicContact CD2-CG2 3.37Å
561K92.6Very high89.7Confident46 Ų4653.7 Ų53.720%0.228%0.278CS..Hα-helixtrans-59.3-39.8172.3-73.2164.167.1155.30111L557 N558 F564 N565 D583 L586 D611L557-K561 HydrophobicContact CD1-CD 4.32Å; L557-K561 HydrophobicContact CD1-CG 4.36Å; L557-K561 HydrophobicContact CG-CD 3.9Å; L557-K561 HydrophobicContact CG-CG 4.42Å; L557-K561 WeakPolarHBondContact O-CB 3.41Å; L557-K561 WeakPolarHBondContact O-CD 3.46Å; L557-K561 WeakPolarHBondContact O-CG 3.32Å; L557-K561 PolarHBondContact O-N 2.86Å; N558-K561 PolarHBondContact O-N 3.33Å; K561-F564 PolarHBondContact O-N 2.78Å; K561-N565 WeakPolarHBondContact O-CB 3.34Å; K561-N565 PolarHBondContact O-N 3.16Å; K561-N565 PolarHBondContact O-ND2 2.73Å; K561-D583 WeakPolarHBondContact CD-OD1 3.24Å; K561-D583 WeakPolarHBondContact CE-OD1 3.48Å; K561-D583 IonicContact NZ-OD1 3.33Å; K561-D583 PolarHBondContact NZ-OD1 2.76Å; K561-D583 IonicContact NZ-OD2 3.9Å; K561-D583 PolarHBondContact NZ-OD2 3.27Å; K561-L586 HydrophobicContact CG-CD2 3.71Å; K561-D611 IonicContact NZ-OD2 2.68Å; K561-D611 PolarHBondContact NZ-OD2 2.94Å
562R92.9Very high89.1Confident116 Ų11649.6 Ų49.644%0.43827%0.267SS..Hα-helixtrans-64.6-43.4176-163.9-168.568.272.53.5112.2N558 E559 L560 L566N558-R562 PolarHBondContact O-N 2.88Å; E559-R562 WeakPolarHBondContact O-CB 3.41Å; E559-R562 PolarHBondContact O-N 3.07Å; E559-R562 IonicContact OE1-CZ 3.62Å; E559-R562 IonicContact OE1-NE 2.7Å; E559-R562 PolarHBondContact OE1-NE 2.78Å; E559-R562 IonicContact OE1-NH2 2.69Å; E559-R562 PolarHBondContact OE1-NH2 3.16Å; E559-R562 IonicContact OE2-CZ 3.92Å; E559-R562 IonicContact OE2-NE 2.71Å; E559-R562 PolarHBondContact OE2-NE 2.86Å; E559-R562 IonicContact OE2-NH2 2.67Å; L560-R562 VanDerWaalsContact C-N 3.29Å; L560-R562 PolarHBondContact O-N 2.9Å; R562-L566 VanDerWaalsContact NH1-CD1 3.26Å; R562-L566 PolarHBondContact O-N 3.45Å
563L92.6Very high87.4Confident28 Ų2852 Ų5215%0.14730%0.298CS..Hα-helixtrans-68.4-38.6176.8-69.5172.7000112.1F544 T548 L555 E559 L560 L566 Y567F544-L563 HydrophobicContact CZ-CB 4.39Å; T548-L563 HydrophobicContact CG2-CD1 3.87Å; L555-L563 HydrophobicContact CD1-CD1 4.03Å; L555-L563 HydrophobicContact CD2-CD1 4.2Å; E559-L563 HydrophobicContact CG-CD1 4.37Å; E559-L563 WeakPolarHBondContact O-CG 3.43Å; E559-L563 PolarHBondContact O-N 2.88Å; L560-L563 PolarHBondContact O-N 3.35Å; L563-L566 PolarHBondContact O-N 3Å; L563-Y567 PolarHBondContact O-N 3.23Å
564F91.5Very high85.7Confident13 Ų1355.2 Ų55.26%0.05734%0.335CS..Hα-helixtrans-65.3-43.4176.2-175.9-117.2000111.9L541 F544 L560 K561 L566 Y567 L568 F578 I581L541-F564 HydrophobicContact CD1-CD2 4.4Å; L541-F564 HydrophobicContact CD1-CE2 3.92Å; L541-F564 HydrophobicContact CD1-CZ 4.34Å; F544-F564 AromaticContact CD1-CD2 3.63Å; F544-F564 HydrophobicContact CD1-CD2 3.63Å; F544-F564 HydrophobicContact CD1-CE2 4.29Å; F544-F564 HydrophobicContact CD2-CD2 4.35Å; F544-F564 HydrophobicContact CE1-CB 3.77Å; F544-F564 AromaticContact CE1-CD2 3.57Å; F544-F564 HydrophobicContact CE1-CD2 3.57Å; F544-F564 HydrophobicContact CE1-CG 4.07Å; F544-F564 HydrophobicContact CE2-CB 4.47Å; F544-F564 HydrophobicContact CE2-CD2 4.28Å; F544-F564 HydrophobicContact CG-CD2 4.05Å; F544-F564 VanDerWaalsContact CZ-CA 3.43Å; F544-F564 HydrophobicContact CZ-CB 3.66Å; F544-F564 AromaticContact CZ-CD2 3.92Å; F544-F564 HydrophobicContact CZ-CD2 3.92Å; F544-F564 HydrophobicContact CZ-CG 4.29Å; L560-F564 WeakPolarHBondContact O-CB 3.21Å; L560-F564 PolarHBondContact O-N 3.41Å; K561-F564 PolarHBondContact O-N 2.78Å; F564-L566 VanDerWaalsContact C-N 3.29Å; F564-L566 PolarHBondContact O-N 3.02Å; F564-Y567 HydrophobicContact CD2-CD1 4.24Å; F564-Y567 HydrophobicContact CE2-CD1 4.24Å; F564-Y567 WeakPolarHBondContact O-CB 3.38Å; F564-Y567 PolarHBondContact O-N 2.96Å; F564-Y567 VanDerWaalsContact O-N 3.08Å; F564-L568 HydrophobicContact CD1-CD1 4.08Å; F564-L568 HydrophobicContact CD1-CG 4.38Å; F564-L568 HydrophobicContact CE1-CD1 3.65Å; F564-L568 HydrophobicContact CE1-CD2 4.27Å; F564-L568 HydrophobicContact CE1-CG 4.01Å; F564-L568 HydrophobicContact CE2-CD2 4.21Å; F564-L568 HydrophobicContact CE2-CG 4.32Å; F564-L568 HydrophobicContact CZ-CD1 4.06Å; F564-L568 HydrophobicContact CZ-CD2 3.8Å; F564-L568 HydrophobicContact CZ-CG 3.96Å; F564-L568 WeakPolarHBondContact O-CG 3.45Å; F564-L568 PolarHBondContact O-N 2.87Å; F564-F578 HydrophobicContact CE2-CD2 4.42Å; F564-F578 HydrophobicContact CE2-CE2 4.22Å; F564-F578 HydrophobicContact CE2-CZ 4.31Å; F564-F578 HydrophobicContact CZ-CD2 4.24Å; F564-F578 HydrophobicContact CZ-CE2 4.5Å; F564-F578 HydrophobicContact CZ-CG 4.23Å; F564-I581 HydrophobicContact CD1-CG2 4.43Å; F564-I581 HydrophobicContact CE1-CD1 4.11Å; F564-I581 HydrophobicContact CE1-CG2 3.67Å; F564-I581 HydrophobicContact CZ-CD1 3.63Å; F564-I581 HydrophobicContact CZ-CG2 4.16Å
565N89.4Confident84.1Confident100 Ų10061.2 Ų61.254%0.53536%0.363SS..Hα-helixtrans-62.3-34.3174.2-78.8-66000113K561 A569K561-N565 WeakPolarHBondContact O-CB 3.34Å; K561-N565 PolarHBondContact O-N 3.16Å; K561-N565 PolarHBondContact O-ND2 2.73Å; N565-A569 WeakPolarHBondContact O-CB 3.25Å; N565-A569 PolarHBondContact O-N 2.98Å
566L88.6Confident82.3Confident98 Ų9865.7 Ų65.751%0.51339%0.387SS..Hα-helixtrans-69.4-35.4172-75.8176.6000112.7R562 L563 F564 A569 S570R562-L566 VanDerWaalsContact NH1-CD1 3.26Å; R562-L566 PolarHBondContact O-N 3.45Å; L563-L566 PolarHBondContact O-N 3Å; F564-L566 VanDerWaalsContact C-N 3.29Å; F564-L566 PolarHBondContact O-N 3.02Å; L566-A569 PolarHBondContact O-N 3.01Å; L566-S570 PolarHBondContact O-N 3.18Å
567Y87.2Confident80.8Confident71 Ų7169.3 Ų69.328%0.27841%0.409SS..Hα-helixtrans-66.4-47.4174.3175.6-118.1000111.2F544 L563 F564 A569 S570 I571 F578F544-Y567 HydrophobicContact CB-CD1 4.1Å; F544-Y567 HydrophobicContact CB-CE1 3.85Å; F544-Y567 AromaticContact CD2-CD1 3.39Å; F544-Y567 HydrophobicContact CD2-CD1 3.39Å; F544-Y567 HydrophobicContact CD2-CD2 4.24Å; F544-Y567 AromaticContact CD2-CE1 3.98Å; F544-Y567 HydrophobicContact CD2-CE1 3.98Å; F544-Y567 AromaticContact CD2-CG 3.53Å; F544-Y567 HydrophobicContact CD2-CG 3.53Å; F544-Y567 HydrophobicContact CE2-CD1 4.11Å; F544-Y567 AromaticContact CE2-CG 3.99Å; F544-Y567 HydrophobicContact CE2-CG 3.99Å; F544-Y567 AromaticContact CG-CD1 3.85Å; F544-Y567 HydrophobicContact CG-CD1 3.85Å; F544-Y567 HydrophobicContact CG-CE1 4.13Å; F544-Y567 HydrophobicContact CG-CG 4.43Å; L563-Y567 PolarHBondContact O-N 3.23Å; F564-Y567 HydrophobicContact CD2-CD1 4.24Å; F564-Y567 HydrophobicContact CE2-CD1 4.24Å; F564-Y567 WeakPolarHBondContact O-CB 3.38Å; F564-Y567 PolarHBondContact O-N 2.96Å; F564-Y567 VanDerWaalsContact O-N 3.08Å; Y567-A569 VanDerWaalsContact C-N 3.29Å; Y567-A569 PolarHBondContact O-N 3.5Å; Y567-S570 WeakPolarHBondContact O-CA 3.35Å; Y567-S570 WeakPolarHBondContact O-CB 3.38Å; Y567-S570 PolarHBondContact O-N 2.84Å; Y567-S570 PolarHBondContact O-OG 3.42Å; Y567-I571 HydrophobicContact CE1-CD1 4.19Å; Y567-I571 PolarHBondContact O-N 3.1Å; Y567-F578 HydrophobicContact CD1-CE2 4.3Å; Y567-F578 AromaticContact CE1-CE2 3.68Å; Y567-F578 HydrophobicContact CE1-CE2 3.68Å; Y567-F578 AromaticContact CE1-CZ 3.86Å; Y567-F578 HydrophobicContact CE1-CZ 3.86Å
568L85.6Confident79.7Confident54 Ų5470 Ų7028%0.28341%0.412SS..Hα-helixtrans-54.2-44.1171.8-68.6179.9000112.1F564 S570 I571 F578F564-L568 HydrophobicContact CD1-CD1 4.08Å; F564-L568 HydrophobicContact CD1-CG 4.38Å; F564-L568 HydrophobicContact CE1-CD1 3.65Å; F564-L568 HydrophobicContact CE1-CD2 4.27Å; F564-L568 HydrophobicContact CE1-CG 4.01Å; F564-L568 HydrophobicContact CE2-CD2 4.21Å; F564-L568 HydrophobicContact CE2-CG 4.32Å; F564-L568 HydrophobicContact CZ-CD1 4.06Å; F564-L568 HydrophobicContact CZ-CD2 3.8Å; F564-L568 HydrophobicContact CZ-CG 3.96Å; F564-L568 WeakPolarHBondContact O-CG 3.45Å; F564-L568 PolarHBondContact O-N 2.87Å; L568-S570 PolarHBondContact O-N 2.87Å; L568-S570 VanDerWaalsContact O-N 3.17Å; L568-I571 HydrophobicContact CD2-CD1 4.38Å; L568-I571 PolarHBondContact O-N 2.85Å; L568-F578 HydrophobicContact CD2-CB 4.43Å; L568-F578 HydrophobicContact CD2-CD2 3.43Å; L568-F578 VanDerWaalsContact CD2-CD2 3.43Å; L568-F578 HydrophobicContact CD2-CE2 4.06Å; L568-F578 HydrophobicContact CD2-CG 4.25Å
569A81.4Confident78.3Confident87 Ų8771.2 Ų71.272%0.71943%0.425SS*.THydrogen-bonded Turntrans-68.1-8.617700000114.6N565 L566 Y567N565-A569 WeakPolarHBondContact O-CB 3.25Å; N565-A569 PolarHBondContact O-N 2.98Å; L566-A569 PolarHBondContact O-N 3.01Å; Y567-A569 VanDerWaalsContact C-N 3.29Å; Y567-A569 PolarHBondContact O-N 3.5Å
570S81.8Confident77.4Confident84 Ų8473.9 Ų73.959%0.58745%0.451SS*.THydrogen-bonded Turntrans-97.3-9.6174.774.60000114.1L566 Y567 L568L566-S570 PolarHBondContact O-N 3.18Å; Y567-S570 WeakPolarHBondContact O-CA 3.35Å; Y567-S570 WeakPolarHBondContact O-CB 3.38Å; Y567-S570 PolarHBondContact O-N 2.84Å; Y567-S570 PolarHBondContact O-OG 3.42Å; L568-S570 PolarHBondContact O-N 2.87Å; L568-S570 VanDerWaalsContact O-N 3.17Å
571I79.5Confident76.8Confident37 Ų3775.6 Ų75.619%0.1946%0.46CS..SBendtrans-81.8134.3179.4-63.2172.6000109.8Y567 L568 Q575 F578Y567-I571 HydrophobicContact CE1-CD1 4.19Å; Y567-I571 PolarHBondContact O-N 3.1Å; L568-I571 HydrophobicContact CD2-CD1 4.38Å; L568-I571 PolarHBondContact O-N 2.85Å; I571-Q575 HydrophobicContact CG2-CB 4.11Å; I571-Q575 VanDerWaalsContact CG2-O 3.31Å; I571-Q575 WeakPolarHBondContact CG2-O 3.27Å; I571-F578 HydrophobicContact CD1-CD2 4.21Å; I571-F578 HydrophobicContact CD1-CE2 3.86Å
572P75.2Confident76.6Confident76 Ų7675.2 Ų75.249%0.49446%0.463SS..PPolyproline II helixtrans-59139.6176.3-25.935.9000113.3G574 Q575P572-G574 PolarHBondContact O-N 3.31Å; P572-Q575 PolarHBondContact O-N 3.49Å
573A55.5Low76.3Confident113 Ų11372.9 Ų72.993%0.93446%0.459SS*.THydrogen-bonded Turntrans-58.8122176.100000110.8
574G57.4Low76Confident85 Ų8577.1 Ų77.188%0.87648%0.478SS*.THydrogen-bonded Turntrans103.9-8.7-173.100000115P572P572-G574 PolarHBondContact O-N 3.31Å
575Q60.2Low75.8Confident129 Ų12979.2 Ų79.260%0.60349%0.488SS*.  trans-113.925.8177.1-66.1-172.6-32.200113.4I571 P572 V577I571-Q575 HydrophobicContact CG2-CB 4.11Å; I571-Q575 VanDerWaalsContact CG2-O 3.31Å; I571-Q575 WeakPolarHBondContact CG2-O 3.27Å; P572-Q575 PolarHBondContact O-N 3.49Å; Q575-V577 WeakPolarHBondContact O-CG2 3.5Å; Q575-V577 PolarHBondContact O-N 3.32Å
576N57Low75.8Confident102 Ų10274.6 Ų74.655%0.54546%0.464SS..  trans-7497.4179-175.932.7000111F578N576-F578 PolarHBondContact ND2-O 3.43Å; N576-F578 PolarHBondContact O-N 2.8Å; N576-F578 PolarHBondContact OD1-N 2.76Å
577V61.2Low75.9Confident87 Ų8771.4 Ų71.453%0.52745%0.446SS..  trans-71.7-11.7179.9-158.70000112.4E540 Q575E540-V577 HydrophobicContact CG-CB 4.22Å; E540-V577 HydrophobicContact CG-CG1 3.91Å; E540-V577 HydrophobicContact CG-CG2 4.45Å; Q575-V577 WeakPolarHBondContact O-CG2 3.5Å; Q575-V577 PolarHBondContact O-N 3.32Å
578F69.5Low76Confident14 Ų1471.2 Ų71.26%0.06145%0.45CS..  trans-95.2117.8-175.8-58-64.8000112.5E540 L541 F564 Y567 L568 I571 N576 I581E540-F578 HydrophobicContact CB-CE1 3.7Å; E540-F578 HydrophobicContact CB-CZ 3.62Å; L541-F578 HydrophobicContact CB-CE1 3.91Å; F564-F578 HydrophobicContact CE2-CD2 4.42Å; F564-F578 HydrophobicContact CE2-CE2 4.22Å; F564-F578 HydrophobicContact CE2-CZ 4.31Å; F564-F578 HydrophobicContact CZ-CD2 4.24Å; F564-F578 HydrophobicContact CZ-CE2 4.5Å; F564-F578 HydrophobicContact CZ-CG 4.23Å; Y567-F578 HydrophobicContact CD1-CE2 4.3Å; Y567-F578 AromaticContact CE1-CE2 3.68Å; Y567-F578 HydrophobicContact CE1-CE2 3.68Å; Y567-F578 AromaticContact CE1-CZ 3.86Å; Y567-F578 HydrophobicContact CE1-CZ 3.86Å; L568-F578 HydrophobicContact CD2-CB 4.43Å; L568-F578 HydrophobicContact CD2-CD2 3.43Å; L568-F578 VanDerWaalsContact CD2-CD2 3.43Å; L568-F578 HydrophobicContact CD2-CE2 4.06Å; L568-F578 HydrophobicContact CD2-CG 4.25Å; I571-F578 HydrophobicContact CD1-CD2 4.21Å; I571-F578 HydrophobicContact CD1-CE2 3.86Å; N576-F578 PolarHBondContact ND2-O 3.43Å; N576-F578 PolarHBondContact O-N 2.8Å; N576-F578 PolarHBondContact OD1-N 2.76Å; F578-I581 HydrophobicContact CB-CD1 3.74Å; F578-I581 HydrophobicContact CD1-CD1 3.6Å; F578-I581 HydrophobicContact CE1-CD1 4.49Å; F578-I581 HydrophobicContact CG-CD1 3.87Å
579S61.3Low76.2Confident94 Ų9468.6 Ų68.666%0.65744%0.436SS*.  trans-61.7170.1151.759.20000110.2I581S579-I581 PolarHBondContact O-N 2.91Å
580S72.2Confident76.7Confident117 Ų11764.5 Ų64.582%0.81840%0.402SS*.  trans-64.591.9-175.554.60000112.5
581I81.4Confident77.1Confident37 Ų3764.7 Ų64.719%0.1940%0.396CS..  trans-71137174.7-50113.5000110.5L541 F564 F578 S579 M585L541-I581 HydrophobicContact CD1-CD1 4.49Å; L541-I581 HydrophobicContact CD2-CD1 4.28Å; L541-I581 HydrophobicContact CD2-CG1 4.11Å; F564-I581 HydrophobicContact CD1-CG2 4.43Å; F564-I581 HydrophobicContact CE1-CD1 4.11Å; F564-I581 HydrophobicContact CE1-CG2 3.67Å; F564-I581 HydrophobicContact CZ-CD1 3.63Å; F564-I581 HydrophobicContact CZ-CG2 4.16Å; F578-I581 HydrophobicContact CB-CD1 3.74Å; F578-I581 HydrophobicContact CD1-CD1 3.6Å; F578-I581 HydrophobicContact CE1-CD1 4.49Å; F578-I581 HydrophobicContact CG-CD1 3.87Å; S579-I581 PolarHBondContact O-N 2.91Å; I581-M585 HydrophobicContact CB-CB 4.29Å; I581-M585 HydrophobicContact CB-CE 4.49Å; I581-M585 HydrophobicContact CB-SD 4.35Å; I581-M585 HydrophobicContact CG1-CE 4.17Å
582S87.1Confident77.5Confident38 Ų3867.3 Ų67.327%0.26641%0.41SS..  trans-88.7166.8172.569.70000110.9H584 M585 L586S582-H584 PolarHBondContact O-N 2.87Å; S582-H584 PolarHBondContact OG-CD2 2.92Å; S582-H584 PolarHBondContact OG-CE1 3.27Å; S582-H584 PolarHBondContact OG-N 2.91Å; S582-H584 PolarHBondContact OG-ND1 3.44Å; S582-H584 PolarHBondContact OG-NE2 2.85Å; S582-M585 PolarHBondContact O-N 2.81Å; S582-M585 WeakPolarHBondContact OG-CG 3.3Å; S582-M585 PolarHBondContact OG-N 2.8Å; S582-L586 PolarHBondContact O-N 2.81Å; S582-L586 VanDerWaalsContact O-N 3.14Å
583D87.6Confident78.1Confident66 Ų6664.3 Ų64.335%0.35339%0.391SS..Hα-helixtrans-60.9-27.5172.4-70.6-36.8000112.9K561 Q587K561-D583 WeakPolarHBondContact CD-OD1 3.24Å; K561-D583 WeakPolarHBondContact CE-OD1 3.48Å; K561-D583 IonicContact NZ-OD1 3.33Å; K561-D583 PolarHBondContact NZ-OD1 2.76Å; K561-D583 IonicContact NZ-OD2 3.9Å; K561-D583 PolarHBondContact NZ-OD2 3.27Å; D583-Q587 VanDerWaalsContact O-CG 3.29Å; D583-Q587 WeakPolarHBondContact O-CG 3.3Å; D583-Q587 PolarHBondContact O-N 3.12Å; D583-Q587 PolarHBondContact O-NE2 3.21Å
584H86.3Confident79.6Confident117 Ų11764.4 Ų64.454%0.54237%0.372SS..Hα-helixtrans-71-49.6175.471.3-109.3000110.8S582 L586 Q587 D588S582-H584 PolarHBondContact O-N 2.87Å; S582-H584 PolarHBondContact OG-CD2 2.92Å; S582-H584 PolarHBondContact OG-CE1 3.27Å; S582-H584 PolarHBondContact OG-N 2.91Å; S582-H584 PolarHBondContact OG-ND1 3.44Å; S582-H584 PolarHBondContact OG-NE2 2.85Å; H584-L586 PolarHBondContact O-N 2.89Å; H584-L586 VanDerWaalsContact O-N 3.15Å; H584-Q587 CarbonylContact O-C 3.56Å; H584-Q587 WeakPolarHBondContact O-CA 3.34Å; H584-Q587 WeakPolarHBondContact O-CB 3.46Å; H584-Q587 PolarHBondContact O-N 2.96Å; H584-D588 IonicContact CD2-OD2 2.64Å; H584-D588 VanDerWaalsContact O-CG 3.25Å; H584-D588 PolarHBondContact O-N 3.14Å
585M86.8Confident81.3Confident57 Ų5760.7 Ų60.728%0.28133%0.333SS..Hα-helixtrans-56.3-36.8177.8-66.3169.874.500112.4L537 I581 S582 A589L537-M585 HydrophobicContact CD2-CB 4.11Å; I581-M585 HydrophobicContact CB-CB 4.29Å; I581-M585 HydrophobicContact CB-CE 4.49Å; I581-M585 HydrophobicContact CB-SD 4.35Å; I581-M585 HydrophobicContact CG1-CE 4.17Å; S582-M585 PolarHBondContact O-N 2.81Å; S582-M585 WeakPolarHBondContact OG-CG 3.3Å; S582-M585 PolarHBondContact OG-N 2.8Å; M585-A589 WeakPolarHBondContact O-CB 3.49Å; M585-A589 PolarHBondContact O-N 3.25Å
586L89.3Confident82.8Confident4 Ų459.3 Ų59.32%0.02132%0.324CS..Hα-helixtrans-69.3-35175.5-175.161.7000112.7L541 V545 L557 L560 K561 S582 H584 V590L541-L586 HydrophobicContact CD1-CD1 4.14Å; V545-L586 HydrophobicContact CG2-CD1 4.35Å; L557-L586 HydrophobicContact CD1-CD2 4.13Å; L557-L586 HydrophobicContact CD1-CG 4.38Å; L560-L586 HydrophobicContact CD2-CD1 4.01Å; L560-L586 HydrophobicContact CD2-CD2 4.24Å; L560-L586 HydrophobicContact CD2-CG 3.9Å; L560-L586 HydrophobicContact CG-CD1 4.24Å; L560-L586 HydrophobicContact CG-CD2 4.21Å; L560-L586 HydrophobicContact CG-CG 4.32Å; K561-L586 HydrophobicContact CG-CD2 3.71Å; S582-L586 PolarHBondContact O-N 2.81Å; S582-L586 VanDerWaalsContact O-N 3.14Å; H584-L586 PolarHBondContact O-N 2.89Å; H584-L586 VanDerWaalsContact O-N 3.15Å; L586-V590 VanDerWaalsContact O-CG2 3.29Å; L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 2.8Å
587Q91.2Very high84.6Confident30 Ų3057.6 Ų57.614%0.1431%0.313CS..Hα-helixtrans-71.2-42.1173-70.1164.596.100111.5L557 D583 H584 A589 V590 L591 K614 F616L557-Q587 HydrophobicContact CD1-CG 3.91Å; L557-Q587 HydrophobicContact CD2-CG 3.88Å; D583-Q587 VanDerWaalsContact O-CG 3.29Å; D583-Q587 WeakPolarHBondContact O-CG 3.3Å; D583-Q587 PolarHBondContact O-N 3.12Å; D583-Q587 PolarHBondContact O-NE2 3.21Å; H584-Q587 CarbonylContact O-C 3.56Å; H584-Q587 WeakPolarHBondContact O-CA 3.34Å; H584-Q587 WeakPolarHBondContact O-CB 3.46Å; H584-Q587 PolarHBondContact O-N 2.96Å; Q587-A589 VanDerWaalsContact C-N 3.33Å; Q587-A589 PolarHBondContact O-N 3.06Å; Q587-V590 WeakPolarHBondContact O-CB 3.22Å; Q587-V590 PolarHBondContact O-N 2.81Å; Q587-V590 VanDerWaalsContact O-N 3.12Å; Q587-L591 WeakPolarHBondContact O-CG 3.22Å; Q587-L591 PolarHBondContact O-N 3.13Å; Q587-K614 VanDerWaalsContact OE1-CD 3.31Å; Q587-K614 VanDerWaalsContact OE1-CE 3.29Å; Q587-F616 HydrophobicContact CB-CZ 4.34Å; Q587-F616 HydrophobicContact CG-CE2 4.39Å; Q587-F616 HydrophobicContact CG-CZ 3.93Å
588D88.8Confident86.2Confident67 Ų6753.7 Ų53.736%0.35829%0.289SS..Hα-helixtrans-63.4-40.7178.6-60.1-39.3000110.8L537 H584 V590 L591 L592L537-D588 HydrophobicContact CD1-CB 3.94Å; H584-D588 IonicContact CD2-OD2 2.64Å; H584-D588 VanDerWaalsContact O-CG 3.25Å; H584-D588 PolarHBondContact O-N 3.14Å; D588-V590 VanDerWaalsContact C-N 3.32Å; D588-V590 PolarHBondContact O-N 3.02Å; D588-L591 PolarHBondContact O-N 2.85Å; D588-L592 PolarHBondContact O-N 2.81Å
589A89.8Confident87.2Confident0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-58.4-40.5171.700000112.9L537 L541 V545 M585 Q587 L592 C593L537-A589 HydrophobicContact CD1-CB 4.36Å; L537-A589 HydrophobicContact CD2-CB 4.43Å; L541-A589 HydrophobicContact CD2-CB 3.93Å; L541-A589 HydrophobicContact CG-CB 3.95Å; V545-A589 HydrophobicContact CG2-CB 4.07Å; M585-A589 WeakPolarHBondContact O-CB 3.49Å; M585-A589 PolarHBondContact O-N 3.25Å; Q587-A589 VanDerWaalsContact C-N 3.33Å; Q587-A589 PolarHBondContact O-N 3.06Å; A589-L592 PolarHBondContact O-N 3.35Å; A589-C593 WeakPolarHBondContact O-CB 3.25Å; A589-C593 PolarHBondContact O-N 3.19Å; A589-C593 PolarHBondContact O-SG 2.88Å
590V92.1Very high88.7Confident0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-64.6-41.4175.4174.90000111.6V545 F549 L560 L586 Q587 D588 L592 C593 C595 F616V545-V590 HydrophobicContact CG1-CB 4.43Å; V545-V590 HydrophobicContact CG1-CG2 3.86Å; V545-V590 HydrophobicContact CG2-CG2 4.43Å; F549-V590 HydrophobicContact CE2-CG1 4.05Å; F549-V590 HydrophobicContact CE2-CG2 3.79Å; F549-V590 HydrophobicContact CZ-CG1 3.99Å; F549-V590 HydrophobicContact CZ-CG2 4.29Å; L560-V590 HydrophobicContact CD2-CG2 3.37Å; L586-V590 VanDerWaalsContact O-CG2 3.29Å; L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 2.8Å; Q587-V590 WeakPolarHBondContact O-CB 3.22Å; Q587-V590 PolarHBondContact O-N 2.81Å; Q587-V590 VanDerWaalsContact O-N 3.12Å; D588-V590 VanDerWaalsContact C-N 3.32Å; D588-V590 PolarHBondContact O-N 3.02Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 2.99Å; V590-C593 PolarHBondContact O-N 3.13Å; V590-C595 HydrophobicContact CG1-CB 3.5Å; V590-C595 WeakPolarHBondContact O-CB 3.32Å; V590-C595 PolarHBondContact O-N 3.26Å; V590-F616 HydrophobicContact CB-CD1 4.38Å; V590-F616 HydrophobicContact CG1-CB 3.9Å; V590-F616 HydrophobicContact CG1-CD1 3.5Å; V590-F616 VanDerWaalsContact CG1-CD1 3.5Å; V590-F616 HydrophobicContact CG1-CE1 4.19Å; V590-F616 HydrophobicContact CG1-CG 3.78Å
591L90.1Very high89.6Confident88 Ų8852.3 Ų52.346%0.46127%0.267SS..Hα-helixtrans-69.9-28.4179.1-64.6175.5000112.9Q587 D588 F616Q587-L591 WeakPolarHBondContact O-CG 3.22Å; Q587-L591 PolarHBondContact O-N 3.13Å; D588-L591 PolarHBondContact O-N 2.85Å; L591-F616 HydrophobicContact CD2-CE1 4.38Å
592L87.2Confident89.9Confident92 Ų9252 Ų5248%0.48226%0.264SS..Hα-helixtrans-75.5-36.1169.9-65.7-173.3000112.8L537 D588 A589 V590 Q594L537-L592 HydrophobicContact CD1-CD1 3.69Å; L537-L592 HydrophobicContact CD1-CG 4.48Å; D588-L592 PolarHBondContact O-N 2.81Å; A589-L592 PolarHBondContact O-N 3.35Å; V590-L592 VanDerWaalsContact C-N 3.33Å; V590-L592 PolarHBondContact O-N 2.99Å; L592-Q594 PolarHBondContact O-N 3.12Å
593C88.1Confident89.7Confident13 Ų1353 Ų539%0.08827%0.27CS..THydrogen-bonded Turntrans-82.446.2-176.8-61.50000113.7V545 A589 V590 C595V545-C593 HydrophobicContact CB-CB 4.34Å; V545-C593 HydrophobicContact CG1-CB 3.6Å; A589-C593 WeakPolarHBondContact O-CB 3.25Å; A589-C593 PolarHBondContact O-N 3.19Å; A589-C593 PolarHBondContact O-SG 2.88Å; V590-C593 PolarHBondContact O-N 3.13Å; C593-C595 PolarHBondContact O-N 2.83Å; C593-C595 PolarHBondContact O-SG 2.83Å
594Q87.7Confident89Confident115 Ų11555 Ų5554%0.53730%0.296SS..THydrogen-bonded Turntrans55.821.6173.6-65.4-179.9-23.900115.8L592 W619 E620L592-Q594 PolarHBondContact O-N 3.12Å; Q594-W619 WeakPolarHBondContact O-CB 3.45Å; Q594-W619 PolarHBondContact O-N 3.4Å; Q594-E620 HydrophobicContact CB-CB 4.05Å; Q594-E620 WeakPolarHBondContact CB-O 3.46Å; Q594-E620 HydrophobicContact CG-CB 4.29Å; Q594-E620 PolarHBondContact O-N 2.58Å; Q594-E620 VanDerWaalsContact O-N 3.16Å; Q594-E620 PolarHBondContact OE1-O 2.77Å
595C92.3Very high88.4Confident8 Ų858.3 Ų58.35%0.05431%0.312CS..EExtended strand (participates in β ladder)trans-107.9158174.9-66.10000111.4F549 V590 C593 G617F549-C595 VanDerWaalsContact CD1-SG 3.52Å; F549-C595 WeakPolarHBondContact CG-SG 3.48Å; V590-C595 HydrophobicContact CG1-CB 3.5Å; V590-C595 WeakPolarHBondContact O-CB 3.32Å; V590-C595 PolarHBondContact O-N 3.26Å; C593-C595 PolarHBondContact O-N 2.83Å; C593-C595 PolarHBondContact O-SG 2.83Å; C595-G617 WeakPolarHBondContact CA-O 3.38Å
596K92.6Very high87.8Confident99 Ų9956 Ų5643%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-132.7142-178.4-167.5175-177.4174.40111.5F616 G617 W619K596-F616 WeakPolarHBondContact O-CA 3.39Å; K596-G617 PolarHBondContact N-O 2.92Å; K596-G617 PolarHBondContact O-N 2.94Å; K596-W619 HydrophobicContact CB-CB 3.97Å; K596-W619 HydrophobicContact CB-CD2 4.09Å; K596-W619 HydrophobicContact CB-CE3 3.94Å; K596-W619 HydrophobicContact CB-CG 4.12Å; K596-W619 HydrophobicContact CD-CD2 3.66Å; K596-W619 HydrophobicContact CD-CE3 3.52Å; K596-W619 HydrophobicContact CD-CG 4.33Å; K596-W619 HydrophobicContact CD-CH2 4.04Å; K596-W619 HydrophobicContact CD-CZ2 4.15Å; K596-W619 HydrophobicContact CD-CZ3 3.73Å; K596-W619 HydrophobicContact CG-CE3 4.34Å
597Q94.3Very high87.1Confident67 Ų6765.6 Ų65.631%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-69.5132171.6-168.7176.2-21.100110.6M599 V615 F616Q597-M599 HydrophobicContact CG-SD 4.23Å; Q597-M599 PolarHBondContact NE2-SD 2.75Å; Q597-M599 VanDerWaalsContact NE2-SD 3.37Å; Q597-V615 CarbonylContact C-O 3.51Å; Q597-V615 WeakPolarHBondContact CA-O 3.42Å; Q597-V615 WeakPolarHBondContact CG-O 3.38Å; Q597-F616 HydrophobicContact CB-CD1 3.93Å; Q597-F616 HydrophobicContact CB-CE1 3.68Å; Q597-F616 HydrophobicContact CB-CZ 4.39Å; Q597-F616 HydrophobicContact CG-CD1 4.4Å; Q597-F616 HydrophobicContact CG-CE1 4.02Å; Q597-F616 HydrophobicContact CG-CZ 4.24Å
598I94.2Very high86.4Confident4 Ų465.9 Ų65.92%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-103.8117.3177.5-51.1170.3000107.8V600 V615 Y633 F636 L680I598-V600 VanDerWaalsContact C-N 3.27Å; I598-V600 HydrophobicContact CB-CG2 4.38Å; I598-V600 HydrophobicContact CG2-CG2 3.84Å; I598-V600 PolarHBondContact O-N 2.69Å; I598-V615 HydrophobicContact CB-CB 4.39Å; I598-V615 HydrophobicContact CB-CG1 4.5Å; I598-V615 HydrophobicContact CD1-CG1 4.39Å; I598-V615 PolarHBondContact N-O 2.95Å; I598-Y633 HydrophobicContact CD1-CD1 3.42Å; I598-Y633 VanDerWaalsContact CD1-CD1 3.42Å; I598-Y633 HydrophobicContact CD1-CD2 3.99Å; I598-Y633 HydrophobicContact CD1-CE1 3.75Å; I598-Y633 HydrophobicContact CD1-CE2 4.27Å; I598-Y633 HydrophobicContact CD1-CG 3.56Å; I598-Y633 HydrophobicContact CG1-CD1 4.41Å; I598-Y633 HydrophobicContact CG1-CD2 4.35Å; I598-Y633 HydrophobicContact CG1-CG 4.09Å; I598-F636 HydrophobicContact CG2-CB 4.43Å; I598-L680 HydrophobicContact CD1-CD1 3.78Å; I598-L680 HydrophobicContact CG2-CD1 4.02Å
599M92Very high85.8Confident123 Ų12364.8 Ų64.861%0.60635%0.346SS*.  trans-83.968.3-175.3-65.6-60.3-72.800111.2Q597 T637Q597-M599 HydrophobicContact CG-SD 4.23Å; Q597-M599 PolarHBondContact NE2-SD 2.75Å; Q597-M599 VanDerWaalsContact NE2-SD 3.37Å; M599-T637 HydrophobicContact CB-CG2 4.28Å
600V92.1Very high85.1Confident11 Ų1169.5 Ų69.57%0.06738%0.376CS..  trans-66.7126-178-177.60000110.8I598 F602 V615 L680I598-V600 VanDerWaalsContact C-N 3.27Å; I598-V600 HydrophobicContact CB-CG2 4.38Å; I598-V600 HydrophobicContact CG2-CG2 3.84Å; I598-V600 PolarHBondContact O-N 2.69Å; V600-F602 HydrophobicContact CB-CD2 4.27Å; V600-F602 HydrophobicContact CB-CE2 3.87Å; V600-F602 HydrophobicContact CB-CZ 4.45Å; V600-F602 HydrophobicContact CG1-CD2 4.39Å; V600-F602 HydrophobicContact CG1-CE2 4.17Å; V600-F602 HydrophobicContact CG1-CZ 4.43Å; V600-F602 WeakPolarHBondContact O-CD2 3.47Å; V600-F602 PolarHBondContact O-N 3.42Å; V600-V615 HydrophobicContact CB-CG2 4.44Å; V600-V615 HydrophobicContact CG2-CB 4.28Å; V600-V615 HydrophobicContact CG2-CG2 3.94Å; V600-L680 HydrophobicContact CG2-CD1 3.93Å
601P90.7Very high84.3Confident62 Ų6271.4 Ų71.440%0.40339%0.386SS..  trans-80.680-177.631.5-33.8000111.2F636P601-F636 WeakPolarHBondContact CD-O 3.32Å
602F87.8Confident83.7Confident30 Ų3069.8 Ų69.813%0.13238%0.376CS..  trans-59.7143.2177.7-72.4-89.3000112.4V600 L608 R613 V615 H640 T683V600-F602 HydrophobicContact CB-CD2 4.27Å; V600-F602 HydrophobicContact CB-CE2 3.87Å; V600-F602 HydrophobicContact CB-CZ 4.45Å; V600-F602 HydrophobicContact CG1-CD2 4.39Å; V600-F602 HydrophobicContact CG1-CE2 4.17Å; V600-F602 HydrophobicContact CG1-CZ 4.43Å; V600-F602 WeakPolarHBondContact O-CD2 3.47Å; V600-F602 PolarHBondContact O-N 3.42Å; F602-L608 HydrophobicContact CD1-CD1 3.85Å; F602-L608 HydrophobicContact CE1-CD1 3.63Å; F602-R613 HydrophobicContact CD2-CB 4.02Å; F602-R613 HydrophobicContact CD2-CG 4.15Å; F602-R613 HydrophobicContact CE2-CB 3.99Å; F602-R613 HydrophobicContact CE2-CG 4.4Å; F602-R613 WeakPolarHBondContact CE2-O 3.36Å; F602-R613 HydrophobicContact CG-CG 4.4Å; F602-V615 HydrophobicContact CE2-CG2 4.15Å; F602-V615 HydrophobicContact CZ-CG2 4.06Å; F602-H640 AromaticContact CD1-CE1 3.67Å; F602-H640 AromaticContact CE1-CE1 3.91Å; F602-T683 HydrophobicContact CE1-CG2 4.45Å; F602-T683 HydrophobicContact CZ-CG2 3.96Å
603P83.2Confident83.6Confident60 Ų6070 Ų7039%0.3937%0.371SS..  trans-58.5144.3177.6-24.434.2000113Q605 S606P603-Q605 PolarHBondContact O-N 2.72Å; P603-Q605 VanDerWaalsContact O-N 3.09Å; P603-S606 WeakPolarHBondContact O-CB 2.98Å; P603-S606 PolarHBondContact O-N 2.84Å
604A73.6Confident83.7Confident108 Ų10872 Ų7289%0.89338%0.378SS*.THydrogen-bonded Turntrans-59.5-24.1-179.700000114.1S606A604-S606 VanDerWaalsContact C-N 3.28Å; A604-S606 PolarHBondContact O-N 3.36Å
605Q72.4Confident84Confident186 Ų18666.5 Ų66.587%0.86935%0.352SS*.THydrogen-bonded Turntrans-83.41.8175.9-64.1174.8-8.200113.5P603 K607P603-Q605 PolarHBondContact O-N 2.72Å; P603-Q605 VanDerWaalsContact O-N 3.09Å; Q605-K607 PolarHBondContact O-N 2.95Å
606S73.6Confident84.2Confident9 Ų966.1 Ų66.16%0.06335%0.35CS..  trans-63.8124.4-179.8-179.90000111.7P603 A604 L608 R613 Q685P603-S606 WeakPolarHBondContact O-CB 2.98Å; P603-S606 PolarHBondContact O-N 2.84Å; A604-S606 VanDerWaalsContact C-N 3.28Å; A604-S606 PolarHBondContact O-N 3.36Å; S606-L608 VanDerWaalsContact C-N 3.33Å; S606-L608 WeakPolarHBondContact OG-CB 3.39Å; S606-L608 WeakPolarHBondContact OG-CG 3.32Å; S606-L608 PolarHBondContact OG-N 3.37Å; S606-R613 PolarHBondContact O-NH2 2.8Å; S606-Q685 PolarHBondContact OG-NE2 3.36Å
607K75.9Confident84.2Confident206 Ų20661.4 Ų61.490%0.89633%0.329SS*.  trans-83-4.6174-65.4-175.2178.1-178.90114.1Q605Q605-K607 PolarHBondContact O-N 2.95Å
608L75.2Confident84.1Confident35 Ų3558.9 Ų58.918%0.18332%0.318CS..  trans-59141.4-176.1-66.5174.8000112.2F602 S606 E612 R613 Q685F602-L608 HydrophobicContact CD1-CD1 3.85Å; F602-L608 HydrophobicContact CE1-CD1 3.63Å; S606-L608 VanDerWaalsContact C-N 3.33Å; S606-L608 WeakPolarHBondContact OG-CB 3.39Å; S606-L608 WeakPolarHBondContact OG-CG 3.32Å; S606-L608 PolarHBondContact OG-N 3.37Å; L608-E612 WeakPolarHBondContact CA-OE2 3.37Å; L608-E612 HydrophobicContact CB-CB 3.96Å; L608-E612 HydrophobicContact CD2-CB 4.21Å; L608-E612 WeakPolarHBondContact CD2-OE2 3.41Å; L608-E612 HydrophobicContact CG-CB 4.5Å; L608-R613 HydrophobicContact CB-CG 4.24Å; L608-R613 VanDerWaalsContact O-CZ 3.24Å; L608-R613 PolarHBondContact O-NE 3.15Å; L608-R613 PolarHBondContact O-NH2 3.08Å; L608-Q685 HydrophobicContact CD1-CG 4.21Å; L608-Q685 HydrophobicContact CD2-CG 4.48Å; L608-Q685 HydrophobicContact CG-CG 4.39Å
609A77.4Confident83.9Confident45 Ų4562 Ų6237%0.37233%0.329SS..  trans-64.9162.3175.500000111.9D611 E612 R613A609-D611 VanDerWaalsContact C-N 3.27Å; A609-D611 PolarHBondContact O-N 2.82Å; A609-E612 HydrophobicContact CB-CG 4.21Å; A609-E612 PolarHBondContact N-OE2 3.16Å; A609-E612 PolarHBondContact O-N 3.16Å; A609-E612 VanDerWaalsContact O-N 3.1Å; A609-R613 WeakPolarHBondContact O-CG 3.46Å; A609-R613 PolarHBondContact O-N 3.11Å
610P75.3Confident83.6Confident99 Ų9960 Ų6064%0.64332%0.318SS*.THydrogen-bonded Turntrans-54.9-39179-27.836.4000113.9R613P610-R613 PolarHBondContact O-N 2.86Å
611D74.2Confident83Confident39 Ų3962.2 Ų62.221%0.20933%0.332CS..G310 helixtrans-69.2-31.8178.6-68.3-7.6000113.2L557 K561 A609 R613 K614L557-D611 HydrophobicContact CB-CB 4.31Å; L557-D611 WeakPolarHBondContact CB-O 3.44Å; L557-D611 HydrophobicContact CD2-CB 4.2Å; L557-D611 HydrophobicContact CG-CB 4.39Å; K561-D611 IonicContact NZ-OD2 2.68Å; K561-D611 PolarHBondContact NZ-OD2 2.94Å; A609-D611 VanDerWaalsContact C-N 3.27Å; A609-D611 PolarHBondContact O-N 2.82Å; D611-R613 PolarHBondContact O-N 3.1Å; D611-K614 PolarHBondContact O-N 2.93Å
612E77.6Confident82.3Confident54 Ų5463 Ų6325%0.25235%0.351SS..G310 helixtrans-73.1-20.2177.6-63.3-18013600112.1N558 L608 A609N558-E612 HydrophobicContact CB-CG 3.79Å; N558-E612 WeakPolarHBondContact ND2-CG 3.5Å; N558-E612 PolarHBondContact ND2-OE1 2.92Å; L608-E612 WeakPolarHBondContact CA-OE2 3.37Å; L608-E612 HydrophobicContact CB-CB 3.96Å; L608-E612 HydrophobicContact CD2-CB 4.21Å; L608-E612 WeakPolarHBondContact CD2-OE2 3.41Å; L608-E612 HydrophobicContact CG-CB 4.5Å; A609-E612 HydrophobicContact CB-CG 4.21Å; A609-E612 PolarHBondContact N-OE2 3.16Å; A609-E612 PolarHBondContact O-N 3.16Å; A609-E612 VanDerWaalsContact O-N 3.1Å
613R84.5Confident82Confident98 Ų9864.5 Ų64.537%0.3736%0.361SS..G310 helixtrans-84.9-11.6173.9-59.2173.3-161.9-133.5-1.5112.9F602 S606 L608 A609 P610 D611 V615F602-R613 HydrophobicContact CD2-CB 4.02Å; F602-R613 HydrophobicContact CD2-CG 4.15Å; F602-R613 HydrophobicContact CE2-CB 3.99Å; F602-R613 HydrophobicContact CE2-CG 4.4Å; F602-R613 WeakPolarHBondContact CE2-O 3.36Å; F602-R613 HydrophobicContact CG-CG 4.4Å; S606-R613 PolarHBondContact O-NH2 2.8Å; L608-R613 HydrophobicContact CB-CG 4.24Å; L608-R613 VanDerWaalsContact O-CZ 3.24Å; L608-R613 PolarHBondContact O-NE 3.15Å; L608-R613 PolarHBondContact O-NH2 3.08Å; A609-R613 WeakPolarHBondContact O-CG 3.46Å; A609-R613 PolarHBondContact O-N 3.11Å; P610-R613 PolarHBondContact O-N 2.86Å; D611-R613 PolarHBondContact O-N 3.1Å; R613-V615 PolarHBondContact O-N 3.4Å
614K91.1Very high81.8Confident53 Ų5368.9 Ų68.923%0.2338%0.381CS..  trans-88.3103.6176.5-68.6174.1178.3178.80109.6T556 L557 Q587 D611 F616T556-K614 CarbonylContact C-O 3.49Å; T556-K614 VanDerWaalsContact CA-O 3.26Å; T556-K614 WeakPolarHBondContact CA-O 3.39Å; L557-K614 HydrophobicContact CB-CB 4Å; L557-K614 HydrophobicContact CB-CD 4.48Å; L557-K614 HydrophobicContact CD2-CD 3.65Å; L557-K614 PolarHBondContact N-O 3.01Å; Q587-K614 VanDerWaalsContact OE1-CD 3.31Å; Q587-K614 VanDerWaalsContact OE1-CE 3.29Å; D611-K614 PolarHBondContact O-N 2.93Å; K614-F616 HydrophobicContact CB-CE2 3.95Å
615V94.3Very high82.5Confident0 Ų064.4 Ų64.40%034%0.341CS..EExtended strand (participates in β ladder)trans-102.6135.3178.9-168.50000109V554 T556 Q597 I598 V600 F602 R613 L680 T683V554-V615 HydrophobicContact CG1-CG1 3.83Å; T556-V615 HydrophobicContact CG2-CG2 4.45Å; Q597-V615 CarbonylContact C-O 3.51Å; Q597-V615 WeakPolarHBondContact CA-O 3.42Å; Q597-V615 WeakPolarHBondContact CG-O 3.38Å; I598-V615 HydrophobicContact CB-CB 4.39Å; I598-V615 HydrophobicContact CB-CG1 4.5Å; I598-V615 HydrophobicContact CD1-CG1 4.39Å; I598-V615 PolarHBondContact N-O 2.95Å; V600-V615 HydrophobicContact CB-CG2 4.44Å; V600-V615 HydrophobicContact CG2-CB 4.28Å; V600-V615 HydrophobicContact CG2-CG2 3.94Å; F602-V615 HydrophobicContact CE2-CG2 4.15Å; F602-V615 HydrophobicContact CZ-CG2 4.06Å; R613-V615 PolarHBondContact O-N 3.4Å; V615-L680 HydrophobicContact CG1-CD1 4.2Å; V615-T683 HydrophobicContact CG1-CG2 4.22Å; V615-T683 HydrophobicContact CG2-CG2 3.55Å
616F95.5Very high83.3Confident1 Ų156 Ų560%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-124.5140.9176.3-64.4-89.2000109.7F549 V554 L555 L557 Q587 V590 L591 K596 Q597 K614F549-F616 HydrophobicContact CE1-CB 3.92Å; F549-F616 HydrophobicContact CZ-CB 3.83Å; V554-F616 WeakPolarHBondContact CA-O 3.27Å; L555-F616 PolarHBondContact N-O 3.05Å; L555-F616 PolarHBondContact O-N 3.42Å; L557-F616 HydrophobicContact CB-CE2 4.26Å; Q587-F616 HydrophobicContact CB-CZ 4.34Å; Q587-F616 HydrophobicContact CG-CE2 4.39Å; Q587-F616 HydrophobicContact CG-CZ 3.93Å; V590-F616 HydrophobicContact CB-CD1 4.38Å; V590-F616 HydrophobicContact CG1-CB 3.9Å; V590-F616 HydrophobicContact CG1-CD1 3.5Å; V590-F616 VanDerWaalsContact CG1-CD1 3.5Å; V590-F616 HydrophobicContact CG1-CE1 4.19Å; V590-F616 HydrophobicContact CG1-CG 3.78Å; L591-F616 HydrophobicContact CD2-CE1 4.38Å; K596-F616 WeakPolarHBondContact O-CA 3.39Å; Q597-F616 HydrophobicContact CB-CD1 3.93Å; Q597-F616 HydrophobicContact CB-CE1 3.68Å; Q597-F616 HydrophobicContact CB-CZ 4.39Å; Q597-F616 HydrophobicContact CG-CD1 4.4Å; Q597-F616 HydrophobicContact CG-CE1 4.02Å; Q597-F616 HydrophobicContact CG-CZ 4.24Å; K614-F616 HydrophobicContact CB-CE2 3.95Å
617G93.6Very high84.1Confident0 Ų062 Ų620%033%0.327CS..EExtended strand (participates in β ladder)trans-132145.6175.400000111.9V553 C595 K596 W619V553-G617 WeakPolarHBondContact O-CA 3.44Å; C595-G617 WeakPolarHBondContact CA-O 3.38Å; K596-G617 PolarHBondContact N-O 2.92Å; K596-G617 PolarHBondContact O-N 2.94Å; G617-W619 PolarHBondContact O-N 3.21Å
618L93Very high84.8Confident13 Ų1353 Ų537%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-65.4119.6175-174.958.4000109.6F549 V553 T621 Y633F549-L618 HydrophobicContact CB-CD1 4.36Å; V553-L618 HydrophobicContact CG1-CB 4.27Å; V553-L618 PolarHBondContact O-N 2.71Å; L618-T621 HydrophobicContact CD1-CG2 4.11Å; L618-T621 HydrophobicContact CD2-CG2 3.41Å; L618-T621 VanDerWaalsContact CD2-CG2 3.41Å; L618-T621 HydrophobicContact CG-CG2 3.62Å; L618-Y633 WeakPolarHBondContact O-CE2 3.38Å; L618-Y633 PolarHBondContact O-OH 2.81Å
619W89.8Confident85.7Confident69 Ų6951.6 Ų51.626%0.26128%0.281SS..  trans-105.3-33-167.2-176.1-92.8000112.9Q594 K596 G617 R630 Y633Q594-W619 WeakPolarHBondContact O-CB 3.45Å; Q594-W619 PolarHBondContact O-N 3.4Å; K596-W619 HydrophobicContact CB-CB 3.97Å; K596-W619 HydrophobicContact CB-CD2 4.09Å; K596-W619 HydrophobicContact CB-CE3 3.94Å; K596-W619 HydrophobicContact CB-CG 4.12Å; K596-W619 HydrophobicContact CD-CD2 3.66Å; K596-W619 HydrophobicContact CD-CE3 3.52Å; K596-W619 HydrophobicContact CD-CG 4.33Å; K596-W619 HydrophobicContact CD-CH2 4.04Å; K596-W619 HydrophobicContact CD-CZ2 4.15Å; K596-W619 HydrophobicContact CD-CZ3 3.73Å; K596-W619 HydrophobicContact CG-CE3 4.34Å; G617-W619 PolarHBondContact O-N 3.21Å; W619-R630 HydrophobicContact CD2-CG 3.92Å; W619-R630 HydrophobicContact CE3-CG 3.91Å; W619-R630 HydrophobicContact CH2-CB 4.04Å; W619-R630 HydrophobicContact CH2-CG 3.77Å; W619-R630 HydrophobicContact CZ2-CB 4.43Å; W619-R630 HydrophobicContact CZ2-CG 3.78Å; W619-R630 HydrophobicContact CZ3-CB 4.18Å; W619-R630 HydrophobicContact CZ3-CG 3.84Å; W619-R630 PolarHBondContact O-NE 2.98Å; W619-R630 VanDerWaalsContact O-NE 3.11Å; W619-R630 PolarHBondContact O-NH2 3.42Å; W619-R630 VanDerWaalsContact O-NH2 3.13Å; W619-Y633 AromaticContact CE3-CD2 3.93Å; W619-Y633 HydrophobicContact CE3-CD2 3.93Å; W619-Y633 HydrophobicContact CZ3-CD2 4.11Å
620E84.6Confident86.4Confident81 Ų8153 Ų5338%0.37928%0.277SS..  trans-132.5132.4175.4-84.7166.6-175.900111.3Q594 D626 R630Q594-E620 HydrophobicContact CB-CB 4.05Å; Q594-E620 WeakPolarHBondContact CB-O 3.46Å; Q594-E620 HydrophobicContact CG-CB 4.29Å; Q594-E620 PolarHBondContact O-N 2.58Å; Q594-E620 VanDerWaalsContact O-N 3.16Å; Q594-E620 PolarHBondContact OE1-O 2.77Å; E620-D626 WeakPolarHBondContact CA-OD1 3.47Å; E620-D626 WeakPolarHBondContact CA-OD2 3.25Å; E620-R630 VanDerWaalsContact CD-NH2 3.31Å; E620-R630 IonicContact OE1-CZ 2.81Å; E620-R630 IonicContact OE1-NH1 3.23Å; E620-R630 IonicContact OE1-NH2 2.7Å; E620-R630 PolarHBondContact OE1-NH2 2.9Å
621T79.4Confident87.3Confident59 Ų5949.4 Ų49.436%0.36225%0.252SS..  trans-134.7-15.816766.30000112.3L618 D623 D626 R629L618-T621 HydrophobicContact CD1-CG2 4.11Å; L618-T621 HydrophobicContact CD2-CG2 3.41Å; L618-T621 VanDerWaalsContact CD2-CG2 3.41Å; L618-T621 HydrophobicContact CG-CG2 3.62Å; T621-D623 PolarHBondContact OG1-N 2.92Å; T621-D623 VanDerWaalsContact OG1-N 3.15Å; T621-D623 PolarHBondContact OG1-OD2 2.86Å; T621-D626 PolarHBondContact N-OD1 3.45Å; T621-D626 PolarHBondContact N-OD2 2.91Å; T621-R629 PolarHBondContact OG1-NH2 3.48Å
622G75.7Confident88.3Confident78 Ų7847.6 Ų47.680%0.80424%0.242SC*.SBendtrans85.56.4-170.400000113.9D626G622-D626 PolarHBondContact N-OD2 3.39Å
623D82.9Confident89.1Confident61 Ų6145.1 Ų45.133%0.32623%0.23SC..SBendtrans-89.6158.9173.275.339.8000112.8T621 F625 D626 R629T621-D623 PolarHBondContact OG1-N 2.92Å; T621-D623 VanDerWaalsContact OG1-N 3.15Å; T621-D623 PolarHBondContact OG1-OD2 2.86Å; D623-F625 PolarHBondContact O-N 3.33Å; D623-F625 VanDerWaalsContact OD1-C 3.26Å; D623-F625 WeakPolarHBondContact OD1-CA 3.46Å; D623-F625 WeakPolarHBondContact OD1-CB 3.37Å; D623-F625 PolarHBondContact OD1-N 3.26Å; D623-D626 PolarHBondContact O-N 3Å; D623-D626 PolarHBondContact OD1-N 3.31Å; D623-R629 IonicContact OD1-CZ 2.67Å; D623-R629 IonicContact OD1-NH1 2.71Å; D623-R629 PolarHBondContact OD1-NH1 2.67Å; D623-R629 IonicContact OD1-NH2 3.16Å; D623-R629 PolarHBondContact OD1-NH2 2.78Å; D623-R629 IonicContact OD2-CZ 2.93Å; D623-R629 IonicContact OD2-NH1 2.72Å; D623-R629 PolarHBondContact OD2-NH1 2.83Å; D623-R629 VanDerWaalsContact OD2-NH1 3.1Å; D623-R629 IonicContact OD2-NH2 2.8Å; D623-R629 PolarHBondContact OD2-NH2 3.3Å
624N79Confident89.5Confident153 Ų15343 Ų4382%0.81823%0.226SC*.THydrogen-bonded Turntrans-66.9-5.2177.5-69.7-33.9000113.8H628N624-H628 PolarHBondContact O-ND1 3.32Å
625F87.7Confident89.6Confident14 Ų1441.1 Ų41.16%0.06122%0.219CC..THydrogen-bonded Turntrans-94.2-12.1-178.8-139.6-123.2000112.5D623 K627 H628 R629 E662 R665 L666 E669D623-F625 PolarHBondContact O-N 3.33Å; D623-F625 VanDerWaalsContact OD1-C 3.26Å; D623-F625 WeakPolarHBondContact OD1-CA 3.46Å; D623-F625 WeakPolarHBondContact OD1-CB 3.37Å; D623-F625 PolarHBondContact OD1-N 3.26Å; F625-K627 PolarHBondContact O-N 3.4Å; F625-H628 HydrophobicContact CD2-CB 4.04Å; F625-H628 AromaticContact CD2-CG 3.77Å; F625-H628 AromaticContact CD2-ND1 3.62Å; F625-H628 HydrophobicContact CE2-CB 4.22Å; F625-H628 AromaticContact CE2-CG 3.95Å; F625-H628 HydrophobicContact CG-CB 4.22Å; F625-H628 WeakPolarHBondContact O-CA 3.48Å; F625-H628 VanDerWaalsContact O-CB 3.32Å; F625-H628 WeakPolarHBondContact O-CB 3.4Å; F625-H628 PolarHBondContact O-N 2.89Å; F625-R629 PolarHBondContact O-N 3.12Å; F625-E662 HydrophobicContact CE2-CB 4.18Å; F625-E662 HydrophobicContact CE2-CG 4.4Å; F625-E662 WeakPolarHBondContact CZ-O 3.26Å; F625-R665 HydrophobicContact CE1-CG 4.03Å; F625-R665 HydrophobicContact CZ-CB 4.07Å; F625-R665 HydrophobicContact CZ-CG 3.88Å; F625-L666 HydrophobicContact CD1-CD1 4.31Å; F625-L666 HydrophobicContact CE1-CB 3.89Å; F625-L666 HydrophobicContact CE1-CD1 3.8Å; F625-L666 HydrophobicContact CE1-CG 4.47Å; F625-L666 HydrophobicContact CZ-CB 3.69Å; F625-L666 HydrophobicContact CZ-CD1 4.28Å; F625-E669 WeakPolarHBondContact CD1-OE2 3.15Å; F625-E669 WeakPolarHBondContact CE1-OE2 3.38Å
626D89.4Confident89.7Confident10 Ų1041.1 Ų41.15%0.05322%0.219CC..Hα-helixtrans-51-44.2170.1-86.9-31.9000111.8E620 T621 G622 D623 H628 R629 R630E620-D626 WeakPolarHBondContact CA-OD1 3.47Å; E620-D626 WeakPolarHBondContact CA-OD2 3.25Å; T621-D626 PolarHBondContact N-OD1 3.45Å; T621-D626 PolarHBondContact N-OD2 2.91Å; G622-D626 PolarHBondContact N-OD2 3.39Å; D623-D626 PolarHBondContact O-N 3Å; D623-D626 PolarHBondContact OD1-N 3.31Å; D626-H628 VanDerWaalsContact C-N 3.32Å; D626-H628 PolarHBondContact O-N 2.94Å; D626-R629 VanDerWaalsContact CG-NH2 3.35Å; D626-R629 PolarHBondContact O-N 2.97Å; D626-R629 IonicContact OD1-CZ 2.95Å; D626-R629 IonicContact OD1-NE 2.76Å; D626-R629 IonicContact OD1-NH2 2.87Å; D626-R629 PolarHBondContact OD1-NH2 2.88Å; D626-R630 WeakPolarHBondContact O-CG 3.46Å; D626-R630 PolarHBondContact O-N 3.05Å
627K89.3Confident89.6Confident134 Ų13444 Ų4458%0.58324%0.236SC*.Hα-helixtrans-59.8-41.4176.2-63-177-178.5177.80112.2F625 R630 L631 L655F625-K627 PolarHBondContact O-N 3.4Å; K627-R630 PolarHBondContact O-N 3.41Å; K627-L631 WeakPolarHBondContact O-CG 3.47Å; K627-L631 PolarHBondContact O-N 3.28Å; K627-L655 HydrophobicContact CB-CD2 4.03Å; K627-L655 HydrophobicContact CD-CD2 4.23Å
628H92.3Very high89.5Confident18 Ų1850.3 Ų50.38%0.08326%0.264CS..Hα-helixtrans-65.3-44.2178-65.482.5000111.5N624 F625 D626 L632 L651 L666N624-H628 PolarHBondContact O-ND1 3.32Å; F625-H628 HydrophobicContact CD2-CB 4.04Å; F625-H628 AromaticContact CD2-CG 3.77Å; F625-H628 AromaticContact CD2-ND1 3.62Å; F625-H628 HydrophobicContact CE2-CB 4.22Å; F625-H628 AromaticContact CE2-CG 3.95Å; F625-H628 HydrophobicContact CG-CB 4.22Å; F625-H628 WeakPolarHBondContact O-CA 3.48Å; F625-H628 VanDerWaalsContact O-CB 3.32Å; F625-H628 WeakPolarHBondContact O-CB 3.4Å; F625-H628 PolarHBondContact O-N 2.89Å; D626-H628 VanDerWaalsContact C-N 3.32Å; D626-H628 PolarHBondContact O-N 2.94Å; H628-L632 PolarHBondContact O-N 3.11Å; H628-L651 HydrophobicContact CB-CD2 4.3Å; H628-L666 HydrophobicContact CB-CD1 4.02Å; H628-L666 HydrophobicContact CB-CD2 4.15Å
629R93.2Very high89.4Confident5 Ų552.8 Ų52.82%0.01928%0.277CS..Hα-helixtrans-61.3-46.1175.7-69.1-172.8-71.9-97.6-3.1111.9V553 T621 D623 F625 D626 L631 L632 Y633 L666V553-R629 VanDerWaalsContact CG1-CD 3.48Å; T621-R629 PolarHBondContact OG1-NH2 3.48Å; D623-R629 IonicContact OD1-CZ 2.67Å; D623-R629 IonicContact OD1-NH1 2.71Å; D623-R629 PolarHBondContact OD1-NH1 2.67Å; D623-R629 IonicContact OD1-NH2 3.16Å; D623-R629 PolarHBondContact OD1-NH2 2.78Å; D623-R629 IonicContact OD2-CZ 2.93Å; D623-R629 IonicContact OD2-NH1 2.72Å; D623-R629 PolarHBondContact OD2-NH1 2.83Å; D623-R629 VanDerWaalsContact OD2-NH1 3.1Å; D623-R629 IonicContact OD2-NH2 2.8Å; D623-R629 PolarHBondContact OD2-NH2 3.3Å; F625-R629 PolarHBondContact O-N 3.12Å; D626-R629 VanDerWaalsContact CG-NH2 3.35Å; D626-R629 PolarHBondContact O-N 2.97Å; D626-R629 IonicContact OD1-CZ 2.95Å; D626-R629 IonicContact OD1-NE 2.76Å; D626-R629 IonicContact OD1-NH2 2.87Å; D626-R629 PolarHBondContact OD1-NH2 2.88Å; R629-L631 PolarHBondContact O-N 3Å; R629-L632 WeakPolarHBondContact O-CB 3.41Å; R629-L632 PolarHBondContact O-N 3.11Å; R629-Y633 HydrophobicContact CB-CE2 4.05Å; R629-Y633 WeakPolarHBondContact O-CD1 3.48Å; R629-Y633 WeakPolarHBondContact O-CD2 3.24Å; R629-Y633 PolarHBondContact O-N 2.8Å; R629-L666 HydrophobicContact CG-CD1 3.95Å
630R93Very high89.4Confident75 Ų7551 Ų5128%0.28327%0.272SS..Hα-helixtrans-60.3-44.3179.3-67.6168-165.1-160.16.8113.1W619 E620 D626 K627 L632 Y633 D634W619-R630 HydrophobicContact CD2-CG 3.92Å; W619-R630 HydrophobicContact CE3-CG 3.91Å; W619-R630 HydrophobicContact CH2-CB 4.04Å; W619-R630 HydrophobicContact CH2-CG 3.77Å; W619-R630 HydrophobicContact CZ2-CB 4.43Å; W619-R630 HydrophobicContact CZ2-CG 3.78Å; W619-R630 HydrophobicContact CZ3-CB 4.18Å; W619-R630 HydrophobicContact CZ3-CG 3.84Å; W619-R630 PolarHBondContact O-NE 2.98Å; W619-R630 VanDerWaalsContact O-NE 3.11Å; W619-R630 PolarHBondContact O-NH2 3.42Å; W619-R630 VanDerWaalsContact O-NH2 3.13Å; E620-R630 VanDerWaalsContact CD-NH2 3.31Å; E620-R630 IonicContact OE1-CZ 2.81Å; E620-R630 IonicContact OE1-NH1 3.23Å; E620-R630 IonicContact OE1-NH2 2.7Å; E620-R630 PolarHBondContact OE1-NH2 2.9Å; D626-R630 WeakPolarHBondContact O-CG 3.46Å; D626-R630 PolarHBondContact O-N 3.05Å; K627-R630 PolarHBondContact O-N 3.41Å; R630-L632 VanDerWaalsContact C-N 3.33Å; R630-L632 PolarHBondContact O-N 3.46Å; R630-Y633 PolarHBondContact O-N 3.14Å; R630-D634 PolarHBondContact O-N 3.33Å
631L93.1Very high89.8Confident22 Ų2253 Ų5312%0.11528%0.276CS..Hα-helixtrans-65.4-36.4177.9-69.1171.8000112.4K627 R629 L635 L651 D654 L655K627-L631 WeakPolarHBondContact O-CG 3.47Å; K627-L631 PolarHBondContact O-N 3.28Å; R629-L631 PolarHBondContact O-N 3Å; L631-L635 PolarHBondContact O-N 2.98Å; L631-L651 HydrophobicContact CB-CD2 4.04Å; L631-L651 HydrophobicContact CD1-CD2 4.08Å; L631-D654 HydrophobicContact CD1-CB 3.76Å; L631-D654 HydrophobicContact CD2-CB 3.96Å; L631-D654 WeakPolarHBondContact CD2-OD2 3.44Å; L631-L655 HydrophobicContact CD1-CD1 3.77Å; L631-L655 HydrophobicContact CD1-CD2 4.24Å; L631-L655 HydrophobicContact CD1-CG 3.75Å
632L94.4Very high90.5Very high1 Ų150.5 Ų50.51%0.00526%0.26CS..Hα-helixtrans-64.2-42.6172.2-170.577.1000111.7H628 R629 R630 L635 F636 I647 L666 C670 L680H628-L632 PolarHBondContact O-N 3.11Å; R629-L632 WeakPolarHBondContact O-CB 3.41Å; R629-L632 PolarHBondContact O-N 3.11Å; R630-L632 VanDerWaalsContact C-N 3.33Å; R630-L632 PolarHBondContact O-N 3.46Å; L632-L635 WeakPolarHBondContact O-CB 3.08Å; L632-L635 PolarHBondContact O-N 3.44Å; L632-F636 HydrophobicContact CD1-CD2 4.35Å; L632-F636 HydrophobicContact CD1-CE2 3.95Å; L632-F636 HydrophobicContact CG-CD2 4.03Å; L632-F636 HydrophobicContact CG-CE2 4.01Å; L632-F636 WeakPolarHBondContact O-CD2 3.41Å; L632-F636 PolarHBondContact O-N 2.92Å; L632-F636 VanDerWaalsContact O-N 3.09Å; L632-I647 HydrophobicContact CD1-CD1 4.09Å; L632-I647 HydrophobicContact CD1-CG1 4.28Å; L632-I647 HydrophobicContact CD1-CG2 3.66Å; L632-L666 HydrophobicContact CB-CD2 4.24Å; L632-L666 HydrophobicContact CD1-CD2 4.26Å; L632-L666 HydrophobicContact CD2-CD1 4.22Å; L632-L666 HydrophobicContact CD2-CD2 4.39Å; L632-L666 HydrophobicContact CD2-CG 4.06Å; L632-C670 HydrophobicContact CD2-CB 3.36Å; L632-L680 HydrophobicContact CD2-CD2 4.42Å
633Y95Very high91.3Very high3 Ų354.1 Ų54.11%0.01225%0.25CC..Hα-helixtrans-70.6-31-179.5-56.9-20.7000112.9V553 V554 I598 L618 W619 R629 R630 F636 T637 L680V553-Y633 PolarHBondContact O-OH 3.39Å; V554-Y633 HydrophobicContact CG2-CE1 3.75Å; I598-Y633 HydrophobicContact CD1-CD1 3.42Å; I598-Y633 VanDerWaalsContact CD1-CD1 3.42Å; I598-Y633 HydrophobicContact CD1-CD2 3.99Å; I598-Y633 HydrophobicContact CD1-CE1 3.75Å; I598-Y633 HydrophobicContact CD1-CE2 4.27Å; I598-Y633 HydrophobicContact CD1-CG 3.56Å; I598-Y633 HydrophobicContact CG1-CD1 4.41Å; I598-Y633 HydrophobicContact CG1-CD2 4.35Å; I598-Y633 HydrophobicContact CG1-CG 4.09Å; L618-Y633 WeakPolarHBondContact O-CE2 3.38Å; L618-Y633 PolarHBondContact O-OH 2.81Å; W619-Y633 AromaticContact CE3-CD2 3.93Å; W619-Y633 HydrophobicContact CE3-CD2 3.93Å; W619-Y633 HydrophobicContact CZ3-CD2 4.11Å; R629-Y633 HydrophobicContact CB-CE2 4.05Å; R629-Y633 WeakPolarHBondContact O-CD1 3.48Å; R629-Y633 WeakPolarHBondContact O-CD2 3.24Å; R629-Y633 PolarHBondContact O-N 2.8Å; R630-Y633 PolarHBondContact O-N 3.14Å; Y633-F636 PolarHBondContact O-N 3.47Å; Y633-T637 WeakPolarHBondContact O-CB 3.48Å; Y633-T637 PolarHBondContact O-N 3.21Å; Y633-T637 PolarHBondContact O-OG1 2.99Å; Y633-L680 HydrophobicContact CD1-CD2 4.45Å; Y633-L680 HydrophobicContact CE1-CD2 4.48Å
634D93.3Very high91.8Very high52 Ų5254 Ų5428%0.27824%0.244SC..Hα-helixtrans-63.1-43.8169.7179.860.4000111.9R630 F636 T637 K638R630-D634 PolarHBondContact O-N 3.33Å; D634-F636 VanDerWaalsContact C-N 3.34Å; D634-F636 PolarHBondContact O-N 3.16Å; D634-T637 PolarHBondContact O-N 3.25Å; D634-K638 PolarHBondContact O-N 3.36Å; D634-K638 WeakPolarHBondContact OD1-CE 3.05Å; D634-K638 IonicContact OD1-NZ 3.77Å; D634-K638 PolarHBondContact OD1-NZ 2.85Å; D634-K638 IonicContact OD2-NZ 3.74Å; D634-K638 PolarHBondContact OD2-NZ 3.27Å
635L94.2Very high92.4Very high14 Ų1452.1 Ų52.17%0.07324%0.235CC..Hα-helixtrans-57.3-46.6173.4-75.8170.7000111.7L631 L632 T637 K638 N639 V646 I647 R650L631-L635 PolarHBondContact O-N 2.98Å; L632-L635 WeakPolarHBondContact O-CB 3.08Å; L632-L635 PolarHBondContact O-N 3.44Å; L635-T637 VanDerWaalsContact C-N 3.35Å; L635-K638 PolarHBondContact O-N 3.14Å; L635-N639 WeakPolarHBondContact O-CB 3.44Å; L635-N639 PolarHBondContact O-N 3.43Å; L635-N639 PolarHBondContact O-ND2 3.49Å; L635-V646 HydrophobicContact CD2-CG1 4.33Å; L635-I647 HydrophobicContact CD1-CB 4.36Å; L635-I647 HydrophobicContact CD1-CG1 4.09Å; L635-R650 HydrophobicContact CD1-CB 3.87Å; L635-R650 HydrophobicContact CD1-CG 4.02Å; L635-R650 HydrophobicContact CD2-CB 4.16Å; L635-R650 HydrophobicContact CD2-CG 3.98Å; L635-R650 HydrophobicContact CG-CB 4.28Å; L635-R650 HydrophobicContact CG-CG 3.96Å
636F94.9Very high92.7Very high0 Ų054.9 Ų54.90%025%0.252CS..Hα-helixtrans-75.2-19.6-179.3-80.9-71.9000114.5I598 P601 L632 Y633 D634 K638 N639 V642 W678 L680I598-F636 HydrophobicContact CG2-CB 4.43Å; P601-F636 WeakPolarHBondContact CD-O 3.32Å; L632-F636 HydrophobicContact CD1-CD2 4.35Å; L632-F636 HydrophobicContact CD1-CE2 3.95Å; L632-F636 HydrophobicContact CG-CD2 4.03Å; L632-F636 HydrophobicContact CG-CE2 4.01Å; L632-F636 WeakPolarHBondContact O-CD2 3.41Å; L632-F636 PolarHBondContact O-N 2.92Å; L632-F636 VanDerWaalsContact O-N 3.09Å; Y633-F636 PolarHBondContact O-N 3.47Å; D634-F636 VanDerWaalsContact C-N 3.34Å; D634-F636 PolarHBondContact O-N 3.16Å; F636-K638 PolarHBondContact O-N 3.13Å; F636-N639 CarbonylContact C-O 3.5Å; F636-N639 WeakPolarHBondContact CA-O 3.41Å; F636-N639 WeakPolarHBondContact CD1-O 3.38Å; F636-N639 VanDerWaalsContact O-O 3.06Å; F636-V642 HydrophobicContact CD1-CG2 4.4Å; F636-V642 HydrophobicContact CE1-CG2 3.71Å; F636-V642 HydrophobicContact CE2-CG2 3.84Å; F636-V642 HydrophobicContact CZ-CG2 3.39Å; F636-W678 WeakPolarHBondContact CE1-O 3.2Å; F636-L680 HydrophobicContact CB-CD1 3.68Å; F636-L680 HydrophobicContact CB-CG 4.06Å; F636-L680 HydrophobicContact CD1-CD1 4.38Å; F636-L680 HydrophobicContact CD1-CG 3.92Å; F636-L680 HydrophobicContact CD2-CD1 4.1Å; F636-L680 HydrophobicContact CD2-CD2 3.58Å; F636-L680 HydrophobicContact CD2-CG 3.59Å; F636-L680 HydrophobicContact CE1-CG 4.24Å; F636-L680 HydrophobicContact CE2-CD2 3.76Å; F636-L680 HydrophobicContact CE2-CG 3.92Å; F636-L680 HydrophobicContact CG-CD1 3.82Å; F636-L680 HydrophobicContact CG-CD2 4.12Å; F636-L680 HydrophobicContact CG-CG 3.59Å; F636-L680 HydrophobicContact CZ-CD2 4.43Å; F636-L680 HydrophobicContact CZ-CG 4.23Å
637T93.2Very high92.8Very high61 Ų6154.4 Ų54.437%0.37425%0.25SC..Hα-helixtrans-68.2-25.9168.5-600000111.5M599 Y633 D634 L635M599-T637 HydrophobicContact CB-CG2 4.28Å; Y633-T637 WeakPolarHBondContact O-CB 3.48Å; Y633-T637 PolarHBondContact O-N 3.21Å; Y633-T637 PolarHBondContact O-OG1 2.99Å; D634-T637 PolarHBondContact O-N 3.25Å; L635-T637 VanDerWaalsContact C-N 3.35Å
638K91.5Very high93Very high134 Ų13451.2 Ų51.258%0.58324%0.237SC*.Hα-helixtrans-100.7-16.1178.4-68.2153.3-178.1160.90113.7D634 L635 F636D634-K638 PolarHBondContact O-N 3.36Å; D634-K638 WeakPolarHBondContact OD1-CE 3.05Å; D634-K638 IonicContact OD1-NZ 3.77Å; D634-K638 PolarHBondContact OD1-NZ 2.85Å; D634-K638 IonicContact OD2-NZ 3.74Å; D634-K638 PolarHBondContact OD2-NZ 3.27Å; L635-K638 PolarHBondContact O-N 3.14Å; F636-K638 PolarHBondContact O-N 3.13Å
639N91.6Very high93Very high65 Ų6555 Ų5535%0.34826%0.262SS..  trans-142.1130.3-172-59.1-94.3000111.6L635 F636 R641 V642L635-N639 WeakPolarHBondContact O-CB 3.44Å; L635-N639 PolarHBondContact O-N 3.43Å; L635-N639 PolarHBondContact O-ND2 3.49Å; F636-N639 CarbonylContact C-O 3.5Å; F636-N639 WeakPolarHBondContact CA-O 3.41Å; F636-N639 WeakPolarHBondContact CD1-O 3.38Å; F636-N639 VanDerWaalsContact O-O 3.06Å; N639-R641 VanDerWaalsContact C-N 3.25Å; N639-R641 PolarHBondContact O-N 2.87Å; N639-V642 HydrophobicContact CB-CG1 3.89Å
640H89.8Confident92.9Very high32 Ų3257.3 Ų57.315%0.14827%0.27CS..SBendtrans-66.2-28.3171.5-176.850.5000113.2F602 T683F602-H640 AromaticContact CD1-CE1 3.67Å; F602-H640 AromaticContact CE1-CE1 3.91Å; H640-T683 PolarHBondContact CE1-O 2.74Å
641R92.2Very high92.9Very high123 Ų12353.9 Ų53.946%0.46426%0.257SS..  trans-151.3147.9-178.869.4-177.2178.6-174.2-1.3111.5N639 F677 W678 Y679N639-R641 VanDerWaalsContact C-N 3.25Å; N639-R641 PolarHBondContact O-N 2.87Å; R641-F677 HydrophobicContact CB-CB 4.2Å; R641-F677 HydrophobicContact CB-CD1 4.49Å; R641-F677 HydrophobicContact CG-CB 4.35Å; R641-F677 HydrophobicContact CG-CD1 3.92Å; R641-F677 HydrophobicContact CG-CG 4.27Å; R641-W678 WeakPolarHBondContact CA-O 3.4Å; R641-Y679 HydrophobicContact CB-CD1 3.75Å; R641-Y679 HydrophobicContact CB-CE1 3.48Å; R641-Y679 VanDerWaalsContact CB-CE1 3.48Å; R641-Y679 HydrophobicContact CB-CE2 4.4Å; R641-Y679 HydrophobicContact CB-CG 4.33Å; R641-Y679 WeakPolarHBondContact CD-OH 3.5Å; R641-Y679 HydrophobicContact CG-CE1 4.23Å; R641-Y679 PolarHBondContact NH1-OH 3.09Å
642V93.8Very high92.8Very high6 Ų654.7 Ų54.74%0.03627%0.268CS..BIsolated β-bridgetrans-138.5154.6-177.5-89.30000112.1F636 N639 V646 I647 W678F636-V642 HydrophobicContact CD1-CG2 4.4Å; F636-V642 HydrophobicContact CE1-CG2 3.71Å; F636-V642 HydrophobicContact CE2-CG2 3.84Å; F636-V642 HydrophobicContact CZ-CG2 3.39Å; N639-V642 HydrophobicContact CB-CG1 3.89Å; V642-V646 HydrophobicContact CG1-CG1 4.41Å; V642-I647 HydrophobicContact CB-CD1 4.39Å; V642-I647 HydrophobicContact CB-CG1 4.19Å; V642-I647 HydrophobicContact CG2-CD1 3.76Å; V642-I647 HydrophobicContact CG2-CG1 3.87Å; V642-W678 PolarHBondContact N-O 3.45Å; V642-W678 PolarHBondContact O-N 3.16Å
643R93.1Very high92.7Very high154 Ų15461.3 Ų61.358%0.58130%0.298SS*.  trans-88.7148.8173.1-70.1-178.7174.2177-2.6110.3N645 V646 I647 F677R643-N645 VanDerWaalsContact C-N 3.25Å; R643-N645 PolarHBondContact O-N 3.45Å; R643-N645 VanDerWaalsContact O-N 3.15Å; R643-V646 HydrophobicContact CB-CG2 4.35Å; R643-V646 WeakPolarHBondContact O-CB 3.44Å; R643-V646 PolarHBondContact O-N 3.4Å; R643-I647 PolarHBondContact O-N 3.25Å; R643-F677 HydrophobicContact CG-CD1 3.9Å; R643-F677 HydrophobicContact CG-CE1 3.86Å
644R93.4Very high92.4Very high57 Ų5764.8 Ų64.822%0.21532%0.317CS..Hα-helixtrans-50.2-42.7-177.8-172.6167.8176.2-74.35.7112.9V646 I647 Q648 K660 D664 L667R644-V646 VanDerWaalsContact C-N 3.34Å; R644-V646 PolarHBondContact O-N 3Å; R644-I647 PolarHBondContact O-N 3.05Å; R644-Q648 PolarHBondContact O-N 3.48Å; R644-K660 VanDerWaalsContact NH2-CG 3.35Å; R644-D664 IonicContact CZ-OD1 4Å; R644-D664 IonicContact NE-OD1 2.7Å; R644-D664 PolarHBondContact NE-OD1 3.19Å; R644-D664 IonicContact NH2-OD1 2.63Å; R644-D664 PolarHBondContact NH2-OD1 2.67Å; R644-D664 IonicContact NH2-OD2 3.82Å; R644-D664 PolarHBondContact NH2-OD2 3.27Å; R644-L667 HydrophobicContact CG-CD1 3.89Å
645N92Very high92.2Very high115 Ų11565.2 Ų65.262%0.61532%0.319SS*.Hα-helixtrans-62.6-37.2179.3-58.231.3000112.7R643 I647 Q648 T649R643-N645 VanDerWaalsContact C-N 3.25Å; R643-N645 PolarHBondContact O-N 3.45Å; R643-N645 VanDerWaalsContact O-N 3.15Å; N645-I647 VanDerWaalsContact C-N 3.33Å; N645-I647 PolarHBondContact O-N 3.05Å; N645-Q648 PolarHBondContact O-N 3.02Å; N645-T649 WeakPolarHBondContact O-CB 3.5Å; N645-T649 PolarHBondContact O-N 3.27Å; N645-T649 PolarHBondContact O-OG1 2.92Å; N645-T649 VanDerWaalsContact O-OG1 3.04Å
646V93.1Very high91.8Very high71 Ų7166.5 Ų66.543%0.4334%0.335SS..Hα-helixtrans-65.8-39.9178.6-178.90000110.7L635 V642 R643 R644 R650L635-V646 HydrophobicContact CD2-CG1 4.33Å; V642-V646 HydrophobicContact CG1-CG1 4.41Å; R643-V646 HydrophobicContact CB-CG2 4.35Å; R643-V646 WeakPolarHBondContact O-CB 3.44Å; R643-V646 PolarHBondContact O-N 3.4Å; R644-V646 VanDerWaalsContact C-N 3.34Å; R644-V646 PolarHBondContact O-N 3Å; V646-R650 WeakPolarHBondContact O-CB 3.45Å; V646-R650 PolarHBondContact O-N 2.9Å
647I93Very high91.3Very high0 Ų074.5 Ų74.50%038%0.378CS..Hα-helixtrans-64.8-47.9175.4-57.9169.2000109.7L632 L635 V642 R643 R644 N645 T649 R650 L651 L667 W678L632-I647 HydrophobicContact CD1-CD1 4.09Å; L632-I647 HydrophobicContact CD1-CG1 4.28Å; L632-I647 HydrophobicContact CD1-CG2 3.66Å; L635-I647 HydrophobicContact CD1-CB 4.36Å; L635-I647 HydrophobicContact CD1-CG1 4.09Å; V642-I647 HydrophobicContact CB-CD1 4.39Å; V642-I647 HydrophobicContact CB-CG1 4.19Å; V642-I647 HydrophobicContact CG2-CD1 3.76Å; V642-I647 HydrophobicContact CG2-CG1 3.87Å; R643-I647 PolarHBondContact O-N 3.25Å; R644-I647 PolarHBondContact O-N 3.05Å; N645-I647 VanDerWaalsContact C-N 3.33Å; N645-I647 PolarHBondContact O-N 3.05Å; I647-T649 PolarHBondContact O-N 2.68Å; I647-R650 PolarHBondContact O-N 3.36Å; I647-L651 HydrophobicContact CG2-CD1 3.92Å; I647-L651 HydrophobicContact CG2-CG 4.43Å; I647-L651 WeakPolarHBondContact O-CB 3.34Å; I647-L651 VanDerWaalsContact O-CG 3.31Å; I647-L651 WeakPolarHBondContact O-CG 3.48Å; I647-L651 PolarHBondContact O-N 3.28Å; I647-L667 HydrophobicContact CD1-CD2 3.57Å; I647-W678 HydrophobicContact CD1-CB 4.24Å; I647-W678 HydrophobicContact CD1-CG 4.5Å
648Q92.6Very high91.1Very high68 Ų6872 Ų7232%0.31836%0.363SS..Hα-helixtrans-61-44.2178.1-173.2171.7-0.200112.3R644 N645 L651 A652 V663R644-Q648 PolarHBondContact O-N 3.48Å; N645-Q648 PolarHBondContact O-N 3.02Å; Q648-L651 PolarHBondContact O-N 2.77Å; Q648-A652 VanDerWaalsContact O-CB 3.28Å; Q648-A652 WeakPolarHBondContact O-CB 3.41Å; Q648-A652 PolarHBondContact O-N 3.16Å; Q648-V663 HydrophobicContact CG-CG2 4.24Å
649T92Very high91Very high97 Ų9768 Ų6860%0.59535%0.352SS*.Hα-helixtrans-63.7-41.7176.3-59.90000112.3N645 I647 A652 Q653N645-T649 WeakPolarHBondContact O-CB 3.5Å; N645-T649 PolarHBondContact O-N 3.27Å; N645-T649 PolarHBondContact O-OG1 2.92Å; N645-T649 VanDerWaalsContact O-OG1 3.04Å; I647-T649 PolarHBondContact O-N 2.68Å; T649-A652 PolarHBondContact O-N 2.89Å; T649-Q653 WeakPolarHBondContact O-CB 3.41Å; T649-Q653 PolarHBondContact O-N 3.29Å
650R92.2Very high90.9Very high54 Ų5471.8 Ų71.820%0.20437%0.365CS..Hα-helixtrans-68.6-39.3179-172.873.9-171.699.222.2112.4L635 V646 I647 D654L635-R650 HydrophobicContact CD1-CB 3.87Å; L635-R650 HydrophobicContact CD1-CG 4.02Å; L635-R650 HydrophobicContact CD2-CB 4.16Å; L635-R650 HydrophobicContact CD2-CG 3.98Å; L635-R650 HydrophobicContact CG-CB 4.28Å; L635-R650 HydrophobicContact CG-CG 3.96Å; V646-R650 WeakPolarHBondContact O-CB 3.45Å; V646-R650 PolarHBondContact O-N 2.9Å; I647-R650 PolarHBondContact O-N 3.36Å; R650-D654 IonicContact CZ-OD1 2.69Å; R650-D654 IonicContact CZ-OD2 2.73Å; R650-D654 VanDerWaalsContact CZ-OD2 3.23Å; R650-D654 IonicContact NH1-OD1 3.61Å; R650-D654 PolarHBondContact NH1-OD1 2.87Å; R650-D654 IonicContact NH1-OD2 2.94Å; R650-D654 PolarHBondContact NH1-OD2 3.45Å; R650-D654 IonicContact NH2-OD1 2.75Å; R650-D654 IonicContact NH2-OD2 3.59Å; R650-D654 PolarHBondContact NH2-OD2 3.08Å
651L92.2Very high90.9Very high2 Ų273.7 Ų73.71%0.0139%0.387CS..Hα-helixtrans-62.9-45.8172.4-70.4168.9000110.4H628 L631 I647 Q648 Q653 D654 L655 V658 V663 L666H628-L651 HydrophobicContact CB-CD2 4.3Å; L631-L651 HydrophobicContact CB-CD2 4.04Å; L631-L651 HydrophobicContact CD1-CD2 4.08Å; I647-L651 HydrophobicContact CG2-CD1 3.92Å; I647-L651 HydrophobicContact CG2-CG 4.43Å; I647-L651 WeakPolarHBondContact O-CB 3.34Å; I647-L651 VanDerWaalsContact O-CG 3.31Å; I647-L651 WeakPolarHBondContact O-CG 3.48Å; I647-L651 PolarHBondContact O-N 3.28Å; Q648-L651 PolarHBondContact O-N 2.77Å; L651-Q653 VanDerWaalsContact C-N 3.31Å; L651-Q653 PolarHBondContact O-N 2.77Å; L651-D654 PolarHBondContact O-N 2.93Å; L651-L655 HydrophobicContact CD2-CD1 4.07Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.26Å; L651-L655 PolarHBondContact O-N 2.84Å; L651-V658 HydrophobicContact CB-CG2 4.21Å; L651-V663 HydrophobicContact CD1-CG2 4.11Å; L651-L666 HydrophobicContact CD1-CD2 3.72Å; L651-L666 HydrophobicContact CD2-CD2 4.1Å; L651-L666 HydrophobicContact CG-CD2 4.49Å
652A91.3Very high90.8Very high40 Ų4071.5 Ų71.533%0.33138%0.382SS..Hα-helixtrans-66.3-32.2-177.900000113.7Q648 T649 D654 G656Q648-A652 VanDerWaalsContact O-CB 3.28Å; Q648-A652 WeakPolarHBondContact O-CB 3.41Å; Q648-A652 PolarHBondContact O-N 3.16Å; T649-A652 PolarHBondContact O-N 2.89Å; A652-D654 VanDerWaalsContact C-N 3.34Å; A652-D654 PolarHBondContact O-N 3.42Å; A652-G656 WeakPolarHBondContact CA-O 3.48Å; A652-G656 WeakPolarHBondContact CB-O 3.34Å; A652-G656 PolarHBondContact O-N 3.5Å; A652-G656 VanDerWaalsContact O-N 3.12Å
653Q91.6Very high90.7Very high139 Ų13971.2 Ų71.265%0.6538%0.38SS*.Hα-helixtrans-60.9-40175.5-173.8-176.89.200112.9T649 L651T649-Q653 WeakPolarHBondContact O-CB 3.41Å; T649-Q653 PolarHBondContact O-N 3.29Å; L651-Q653 VanDerWaalsContact C-N 3.31Å; L651-Q653 PolarHBondContact O-N 2.77Å
654D89.6Confident90.7Very high77 Ų7766.5 Ų66.541%0.41237%0.367SS..Hα-helixtrans-106.7-11.3-170.1-71.620.9000113.2L631 R650 L651 A652L631-D654 HydrophobicContact CD1-CB 3.76Å; L631-D654 HydrophobicContact CD2-CB 3.96Å; L631-D654 WeakPolarHBondContact CD2-OD2 3.44Å; R650-D654 IonicContact CZ-OD1 2.69Å; R650-D654 IonicContact CZ-OD2 2.73Å; R650-D654 VanDerWaalsContact CZ-OD2 3.23Å; R650-D654 IonicContact NH1-OD1 3.61Å; R650-D654 PolarHBondContact NH1-OD1 2.87Å; R650-D654 IonicContact NH1-OD2 2.94Å; R650-D654 PolarHBondContact NH1-OD2 3.45Å; R650-D654 IonicContact NH2-OD1 2.75Å; R650-D654 IonicContact NH2-OD2 3.59Å; R650-D654 PolarHBondContact NH2-OD2 3.08Å; L651-D654 PolarHBondContact O-N 2.93Å; A652-D654 VanDerWaalsContact C-N 3.34Å; A652-D654 PolarHBondContact O-N 3.42Å
655L88.5Confident90.7Very high61 Ų6170.1 Ų70.132%0.31938%0.38SS..Hα-helixtrans-126.7-9-176.6-58175.3000115.2K627 L631 L651 V658K627-L655 HydrophobicContact CB-CD2 4.03Å; K627-L655 HydrophobicContact CD-CD2 4.23Å; L631-L655 HydrophobicContact CD1-CD1 3.77Å; L631-L655 HydrophobicContact CD1-CD2 4.24Å; L631-L655 HydrophobicContact CD1-CG 3.75Å; L651-L655 HydrophobicContact CD2-CD1 4.07Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.26Å; L651-L655 PolarHBondContact O-N 2.84Å; L655-V658 HydrophobicContact CB-CG2 3.79Å; L655-V658 HydrophobicContact CD1-CG2 4.37Å
656G86.8Confident90.7Very high40 Ų4064.6 Ų64.641%0.41235%0.351SS..SBendtrans91.9-150.6-175.900000113.1A652 V658A652-G656 WeakPolarHBondContact CA-O 3.48Å; A652-G656 WeakPolarHBondContact CB-O 3.34Å; A652-G656 PolarHBondContact O-N 3.5Å; A652-G656 VanDerWaalsContact O-N 3.12Å; G656-V658 PolarHBondContact O-N 3.38Å; G656-V658 VanDerWaalsContact O-N 3.13Å
657D83.9Confident90.7Very high168 Ų16861.3 Ų61.390%0.89833%0.331SS*.SBendtrans-76104.4178.7-16821.2000110.9
658V88.4Confident90.6Very high9 Ų968.4 Ų68.46%0.05536%0.363CS..  trans-96.6123.2-177.8-179.10000109.7L651 L655 G656 E662 V663L651-V658 HydrophobicContact CB-CG2 4.21Å; L655-V658 HydrophobicContact CB-CG2 3.79Å; L655-V658 HydrophobicContact CD1-CG2 4.37Å; G656-V658 PolarHBondContact O-N 3.38Å; G656-V658 VanDerWaalsContact O-N 3.13Å; V658-E662 HydrophobicContact CG1-CB 3.9Å; V658-V663 HydrophobicContact CG1-CG2 4Å
659S89.8Confident90.6Very high50 Ų5066.9 Ų66.935%0.3536%0.356SS..  trans-66.5153.8-171.876.90000112.4A661 E662 V663S659-A661 PolarHBondContact O-N 3.4Å; S659-A661 VanDerWaalsContact O-N 3.16Å; S659-E662 WeakPolarHBondContact CB-OE2 3.45Å; S659-E662 PolarHBondContact N-OE2 3.42Å; S659-E662 PolarHBondContact O-N 2.72Å; S659-E662 VanDerWaalsContact O-N 3.14Å; S659-E662 WeakPolarHBondContact OG-CG 3.41Å; S659-E662 PolarHBondContact OG-N 2.96Å; S659-E662 PolarHBondContact OG-OE2 3.11Å; S659-V663 PolarHBondContact O-N 3.1Å; S659-V663 VanDerWaalsContact O-N 3.14Å
660K89.8Confident90.6Very high144 Ų14462.3 Ų62.363%0.62633%0.328SS*.Hα-helixtrans-53.5-37.2174.3-168.7-165.3168.2-171.20112R644 V663 D664R644-K660 VanDerWaalsContact NH2-CG 3.35Å; K660-V663 PolarHBondContact O-N 2.96Å; K660-D664 VanDerWaalsContact CE-OD2 3.29Å; K660-D664 WeakPolarHBondContact CE-OD2 3.34Å; K660-D664 WeakPolarHBondContact O-CB 3.48Å; K660-D664 PolarHBondContact O-N 2.61Å
661A90Very high90.8Very high73 Ų7360 Ų6060%0.60332%0.32SS*.Hα-helixtrans-68.1-39.1-178.700000112.4S659 R665S659-A661 PolarHBondContact O-N 3.4Å; S659-A661 VanDerWaalsContact O-N 3.16Å; A661-R665 WeakPolarHBondContact O-CB 3.3Å; A661-R665 PolarHBondContact O-N 3.02Å
662E90.9Very high90.8Very high76 Ų7663.6 Ų63.636%0.35534%0.339SS..Hα-helixtrans-67.7-42.4175.5-71.6157129.200111.5F625 V658 S659 R665 L666F625-E662 HydrophobicContact CE2-CB 4.18Å; F625-E662 HydrophobicContact CE2-CG 4.4Å; F625-E662 WeakPolarHBondContact CZ-O 3.26Å; V658-E662 HydrophobicContact CG1-CB 3.9Å; S659-E662 WeakPolarHBondContact CB-OE2 3.45Å; S659-E662 PolarHBondContact N-OE2 3.42Å; S659-E662 PolarHBondContact O-N 2.72Å; S659-E662 VanDerWaalsContact O-N 3.14Å; S659-E662 WeakPolarHBondContact OG-CG 3.41Å; S659-E662 PolarHBondContact OG-N 2.96Å; S659-E662 PolarHBondContact OG-OE2 3.11Å; E662-R665 PolarHBondContact O-N 3.48Å; E662-L666 WeakPolarHBondContact O-CB 3.5Å; E662-L666 PolarHBondContact O-N 3.38Å
663V91.7Very high90.9Very high0 Ų064.6 Ų64.60%034%0.344CS..Hα-helixtrans-61.9-46.6174.9179.50000111.3Q648 L651 V658 S659 K660 L666 L667Q648-V663 HydrophobicContact CG-CG2 4.24Å; L651-V663 HydrophobicContact CD1-CG2 4.11Å; V658-V663 HydrophobicContact CG1-CG2 4Å; S659-V663 PolarHBondContact O-N 3.1Å; S659-V663 VanDerWaalsContact O-N 3.14Å; K660-V663 PolarHBondContact O-N 2.96Å; V663-L666 PolarHBondContact O-N 3.39Å; V663-L667 HydrophobicContact CG1-CD1 3.91Å; V663-L667 WeakPolarHBondContact O-CB 3.33Å; V663-L667 VanDerWaalsContact O-CG 3.24Å; V663-L667 WeakPolarHBondContact O-CG 3.42Å; V663-L667 PolarHBondContact O-N 2.89Å
664D91.8Very high90.9Very high56 Ų5660.1 Ų60.130%0.29933%0.328SS..Hα-helixtrans-69.8-32.7-179.9-71-28.1000112.1R644 K660 H668R644-D664 IonicContact CZ-OD1 4Å; R644-D664 IonicContact NE-OD1 2.7Å; R644-D664 PolarHBondContact NE-OD1 3.19Å; R644-D664 IonicContact NH2-OD1 2.63Å; R644-D664 PolarHBondContact NH2-OD1 2.67Å; R644-D664 IonicContact NH2-OD2 3.82Å; R644-D664 PolarHBondContact NH2-OD2 3.27Å; K660-D664 VanDerWaalsContact CE-OD2 3.29Å; K660-D664 WeakPolarHBondContact CE-OD2 3.34Å; K660-D664 WeakPolarHBondContact O-CB 3.48Å; K660-D664 PolarHBondContact O-N 2.61Å; D664-H668 WeakPolarHBondContact O-CB 3.35Å; D664-H668 PolarHBondContact O-N 3.48Å
665R92.8Very high90.7Very high132 Ų13260.8 Ų60.850%0.49834%0.344SS..Hα-helixtrans-62.6-50.3169.9178.6-179.7174.9-175.5-6.3111.7F625 A661 E662 L667 H668 E669F625-R665 HydrophobicContact CE1-CG 4.03Å; F625-R665 HydrophobicContact CZ-CB 4.07Å; F625-R665 HydrophobicContact CZ-CG 3.88Å; A661-R665 WeakPolarHBondContact O-CB 3.3Å; A661-R665 PolarHBondContact O-N 3.02Å; E662-R665 PolarHBondContact O-N 3.48Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.87Å; R665-H668 PolarHBondContact O-N 3.02Å; R665-H668 VanDerWaalsContact O-N 3.12Å; R665-E669 HydrophobicContact CG-CG 4.44Å; R665-E669 IonicContact CZ-OE1 3.22Å; R665-E669 VanDerWaalsContact CZ-OE1 3.25Å; R665-E669 IonicContact NE-OE1 2.64Å; R665-E669 PolarHBondContact NE-OE1 3.06Å; R665-E669 IonicContact NH2-OE1 2.73Å; R665-E669 PolarHBondContact NH2-OE1 2.86Å; R665-E669 WeakPolarHBondContact O-CG 3.13Å; R665-E669 PolarHBondContact O-N 2.92Å
666L92.4Very high90.7Very high0 Ų060.5 Ų60.50%036%0.356CS..Hα-helixtrans-59.3-43-179.6-178.267.8000111.6F625 H628 R629 L632 L651 E662 V663 E669 C670F625-L666 HydrophobicContact CD1-CD1 4.31Å; F625-L666 HydrophobicContact CE1-CB 3.89Å; F625-L666 HydrophobicContact CE1-CD1 3.8Å; F625-L666 HydrophobicContact CE1-CG 4.47Å; F625-L666 HydrophobicContact CZ-CB 3.69Å; F625-L666 HydrophobicContact CZ-CD1 4.28Å; H628-L666 HydrophobicContact CB-CD1 4.02Å; H628-L666 HydrophobicContact CB-CD2 4.15Å; R629-L666 HydrophobicContact CG-CD1 3.95Å; L632-L666 HydrophobicContact CB-CD2 4.24Å; L632-L666 HydrophobicContact CD1-CD2 4.26Å; L632-L666 HydrophobicContact CD2-CD1 4.22Å; L632-L666 HydrophobicContact CD2-CD2 4.39Å; L632-L666 HydrophobicContact CD2-CG 4.06Å; L651-L666 HydrophobicContact CD1-CD2 3.72Å; L651-L666 HydrophobicContact CD2-CD2 4.1Å; L651-L666 HydrophobicContact CG-CD2 4.49Å; E662-L666 WeakPolarHBondContact O-CB 3.5Å; E662-L666 PolarHBondContact O-N 3.38Å; V663-L666 PolarHBondContact O-N 3.39Å; L666-E669 PolarHBondContact O-N 3.1Å; L666-C670 WeakPolarHBondContact O-CB 3.46Å; L666-C670 PolarHBondContact O-N 3.13Å
667L93.1Very high91Very high1 Ų160.9 Ų60.91%0.00535%0.346CS..Hα-helixtrans-65.9-38.6176-72.3172.3000112.2R644 I647 V663 R665 C671 W678R644-L667 HydrophobicContact CG-CD1 3.89Å; I647-L667 HydrophobicContact CD1-CD2 3.57Å; V663-L667 HydrophobicContact CG1-CD1 3.91Å; V663-L667 WeakPolarHBondContact O-CB 3.33Å; V663-L667 VanDerWaalsContact O-CG 3.24Å; V663-L667 WeakPolarHBondContact O-CG 3.42Å; V663-L667 PolarHBondContact O-N 2.89Å; R665-L667 VanDerWaalsContact C-N 3.3Å; R665-L667 PolarHBondContact O-N 2.87Å; L667-C671 HydrophobicContact CD2-CB 4.15Å; L667-C671 CarbonylContact O-C 3.51Å; L667-C671 WeakPolarHBondContact O-CA 3.32Å; L667-C671 WeakPolarHBondContact O-CB 3.4Å; L667-C671 PolarHBondContact O-N 2.91Å; L667-W678 HydrophobicContact CB-CD2 4.48Å; L667-W678 HydrophobicContact CB-CE3 4.11Å; L667-W678 HydrophobicContact CB-CH2 3.89Å; L667-W678 HydrophobicContact CB-CZ2 4.3Å; L667-W678 HydrophobicContact CB-CZ3 3.8Å; L667-W678 HydrophobicContact CD1-CD2 4.27Å; L667-W678 HydrophobicContact CD1-CH2 4.35Å; L667-W678 HydrophobicContact CD1-CZ2 3.91Å; L667-W678 HydrophobicContact CD2-CB 4.3Å; L667-W678 HydrophobicContact CD2-CD2 3.7Å; L667-W678 HydrophobicContact CD2-CE3 3.87Å; L667-W678 HydrophobicContact CD2-CG 3.89Å; L667-W678 HydrophobicContact CD2-CZ3 4.43Å; L667-W678 HydrophobicContact CG-CD2 4.36Å; L667-W678 HydrophobicContact CG-CE3 4.44Å
668H92.1Very high91.5Very high149 Ų14955.1 Ų55.169%0.6931%0.312SS*.Hα-helixtrans-69.9-35175.4-171.376.9000112.9D664 R665 K681D664-H668 WeakPolarHBondContact O-CB 3.35Å; D664-H668 PolarHBondContact O-N 3.48Å; R665-H668 PolarHBondContact O-N 3.02Å; R665-H668 VanDerWaalsContact O-N 3.12Å; H668-K681 WeakPolarHBondContact O-CE 3.42Å; H668-K681 PolarHBondContact O-NZ 2.96Å
669E91.5Very high91.8Very high37 Ų3755.5 Ų55.517%0.17331%0.312CS..Hα-helixtrans-72.7-48.8177.2-76.1-179.6-173.500112.3V553 F625 R665 L666 K681V553-E669 HydrophobicContact CG2-CB 4.33Å; F625-E669 WeakPolarHBondContact CD1-OE2 3.15Å; F625-E669 WeakPolarHBondContact CE1-OE2 3.38Å; R665-E669 HydrophobicContact CG-CG 4.44Å; R665-E669 IonicContact CZ-OE1 3.22Å; R665-E669 VanDerWaalsContact CZ-OE1 3.25Å; R665-E669 IonicContact NE-OE1 2.64Å; R665-E669 PolarHBondContact NE-OE1 3.06Å; R665-E669 IonicContact NH2-OE1 2.73Å; R665-E669 PolarHBondContact NH2-OE1 2.86Å; R665-E669 WeakPolarHBondContact O-CG 3.13Å; R665-E669 PolarHBondContact O-N 2.92Å; L666-E669 PolarHBondContact O-N 3.1Å; E669-K681 WeakPolarHBondContact O-CE 3.46Å; E669-K681 PolarHBondContact O-NZ 2.7Å
670C93.4Very high92Very high0 Ų053.1 Ų53.10%030%0.295CS..Hα-helixtrans-101.5-24-168.2-63.50000115.5V554 L632 L666 L680 K681V554-C670 HydrophobicContact CG2-CB 3.89Å; L632-C670 HydrophobicContact CD2-CB 3.36Å; L666-C670 WeakPolarHBondContact O-CB 3.46Å; L666-C670 PolarHBondContact O-N 3.13Å; C670-L680 HydrophobicContact CB-CD2 4.43Å; C670-K681 PolarHBondContact O-N 3.3Å; C670-K681 VanDerWaalsContact O-N 3.09Å
671C94.8Very high92.1Very high6 Ų649.9 Ų49.94%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-122.8173.2-163.6-62.20000114.4L667 W678 Y679 K681L667-C671 HydrophobicContact CD2-CB 4.15Å; L667-C671 CarbonylContact O-C 3.51Å; L667-C671 WeakPolarHBondContact O-CA 3.32Å; L667-C671 WeakPolarHBondContact O-CB 3.4Å; L667-C671 PolarHBondContact O-N 2.91Å; C671-W678 HydrophobicContact CB-CE3 3.66Å; C671-W678 HydrophobicContact CB-CZ3 4.32Å; C671-Y679 CarbonylContact C-O 3.49Å; C671-Y679 WeakPolarHBondContact CA-O 3.44Å; C671-Y679 VanDerWaalsContact CB-O 3.24Å; C671-Y679 WeakPolarHBondContact CB-O 3.28Å; C671-K681 WeakPolarHBondContact O-CE 3.28Å
672I93.1Very high91.8Very high77 Ų7748.9 Ų48.940%0.39528%0.278SS..EExtended strand (participates in β ladder)trans-133.5145165.6-170.6165.8000109.4W678 Y679 L684I672-W678 WeakPolarHBondContact O-CA 3.29Å; I672-Y679 PolarHBondContact N-O 3.34Å; I672-Y679 PolarHBondContact O-N 3.33Å; I672-L684 HydrophobicContact CD1-CD2 4.27Å; I672-L684 HydrophobicContact CG1-CD2 4.44Å; I672-L684 HydrophobicContact CG2-CB 3.95Å; I672-L684 HydrophobicContact CG2-CD2 4.03Å
673S92.6Very high91.7Very high62 Ų6245.3 Ų45.343%0.43426%0.261SS..EExtended strand (participates in β ladder)trans-101.4133.5179.9-175.10000110.9F677S673-F677 WeakPolarHBondContact CA-O 3.44Å
674S91.2Very high91.3Very high45 Ų4547.7 Ų47.732%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-150.4135.9172.2-179.40000111G676 F677S674-G676 PolarHBondContact O-N 2.82Å; S674-G676 VanDerWaalsContact O-N 3.09Å; S674-F677 PolarHBondContact N-O 3.08Å; S674-F677 PolarHBondContact O-N 2.7Å
675A87.1Confident90.1Very high91 Ų9149.6 Ų49.675%0.75228%0.281SS*.THydrogen-bonded Turntrans49.533.6-179.500000115.1F677A675-F677 VanDerWaalsContact C-N 3.31Å; A675-F677 WeakPolarHBondContact O-CD2 3.42Å; A675-F677 PolarHBondContact O-N 2.99Å
676G87Confident88.3Confident55 Ų5552.5 Ų52.557%0.56732%0.321SS*.THydrogen-bonded Turntrans796.4-178.600000115.4S674S674-G676 PolarHBondContact O-N 2.82Å; S674-G676 VanDerWaalsContact O-N 3.09Å
677F92.8Very high88.1Confident47 Ų4755.1 Ų55.121%0.20634%0.338CS..EExtended strand (participates in β ladder)trans-114.9150.9172.8-65.7-92.8000110.9R641 R643 S673 S674 A675 Y679R641-F677 HydrophobicContact CB-CB 4.2Å; R641-F677 HydrophobicContact CB-CD1 4.49Å; R641-F677 HydrophobicContact CG-CB 4.35Å; R641-F677 HydrophobicContact CG-CD1 3.92Å; R641-F677 HydrophobicContact CG-CG 4.27Å; R643-F677 HydrophobicContact CG-CD1 3.9Å; R643-F677 HydrophobicContact CG-CE1 3.86Å; S673-F677 WeakPolarHBondContact CA-O 3.44Å; S674-F677 PolarHBondContact N-O 3.08Å; S674-F677 PolarHBondContact O-N 2.7Å; A675-F677 VanDerWaalsContact C-N 3.31Å; A675-F677 WeakPolarHBondContact O-CD2 3.42Å; A675-F677 PolarHBondContact O-N 2.99Å; F677-Y679 HydrophobicContact CB-CE2 3.81Å
678W95.1Very high87.8Confident48 Ų4857.9 Ų57.918%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-102138.8172.2-65.686.6000110.3F636 R641 V642 I647 L667 C671 I672F636-W678 WeakPolarHBondContact CE1-O 3.2Å; R641-W678 WeakPolarHBondContact CA-O 3.4Å; V642-W678 PolarHBondContact N-O 3.45Å; V642-W678 PolarHBondContact O-N 3.16Å; I647-W678 HydrophobicContact CD1-CB 4.24Å; I647-W678 HydrophobicContact CD1-CG 4.5Å; L667-W678 HydrophobicContact CB-CD2 4.48Å; L667-W678 HydrophobicContact CB-CE3 4.11Å; L667-W678 HydrophobicContact CB-CH2 3.89Å; L667-W678 HydrophobicContact CB-CZ2 4.3Å; L667-W678 HydrophobicContact CB-CZ3 3.8Å; L667-W678 HydrophobicContact CD1-CD2 4.27Å; L667-W678 HydrophobicContact CD1-CH2 4.35Å; L667-W678 HydrophobicContact CD1-CZ2 3.91Å; L667-W678 HydrophobicContact CD2-CB 4.3Å; L667-W678 HydrophobicContact CD2-CD2 3.7Å; L667-W678 HydrophobicContact CD2-CE3 3.87Å; L667-W678 HydrophobicContact CD2-CG 3.89Å; L667-W678 HydrophobicContact CD2-CZ3 4.43Å; L667-W678 HydrophobicContact CG-CD2 4.36Å; L667-W678 HydrophobicContact CG-CE3 4.44Å; C671-W678 HydrophobicContact CB-CE3 3.66Å; C671-W678 HydrophobicContact CB-CZ3 4.32Å; I672-W678 WeakPolarHBondContact O-CA 3.29Å
679Y94.2Very high87.6Confident16 Ų1652.9 Ų52.96%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-124.9154.2178.2-56.1-102.8000107.5R641 C671 I672 F677 L684R641-Y679 HydrophobicContact CB-CD1 3.75Å; R641-Y679 HydrophobicContact CB-CE1 3.48Å; R641-Y679 VanDerWaalsContact CB-CE1 3.48Å; R641-Y679 HydrophobicContact CB-CE2 4.4Å; R641-Y679 HydrophobicContact CB-CG 4.33Å; R641-Y679 WeakPolarHBondContact CD-OH 3.5Å; R641-Y679 HydrophobicContact CG-CE1 4.23Å; R641-Y679 PolarHBondContact NH1-OH 3.09Å; C671-Y679 CarbonylContact C-O 3.49Å; C671-Y679 WeakPolarHBondContact CA-O 3.44Å; C671-Y679 VanDerWaalsContact CB-O 3.24Å; C671-Y679 WeakPolarHBondContact CB-O 3.28Å; I672-Y679 PolarHBondContact N-O 3.34Å; I672-Y679 PolarHBondContact O-N 3.33Å; F677-Y679 HydrophobicContact CB-CE2 3.81Å; Y679-L684 HydrophobicContact CD1-CD1 4.22Å; Y679-L684 HydrophobicContact CD2-CD1 3.93Å; Y679-L684 HydrophobicContact CE1-CD1 4.17Å; Y679-L684 HydrophobicContact CE2-CD1 3.91Å; Y679-L684 HydrophobicContact CG-CB 4.31Å; Y679-L684 HydrophobicContact CG-CD1 4.11Å
680L94.4Very high87.4Confident0 Ų053.8 Ų53.80%035%0.346CS..EExtended strand (participates in β ladder)trans-67.1152.3169.2-73.7177.9000110.3V554 I598 V600 V615 L632 Y633 F636 C670 G682 T683V554-L680 HydrophobicContact CG1-CB 4.21Å; V554-L680 HydrophobicContact CG1-CD2 4.39Å; V554-L680 HydrophobicContact CG2-CD2 4.38Å; I598-L680 HydrophobicContact CD1-CD1 3.78Å; I598-L680 HydrophobicContact CG2-CD1 4.02Å; V600-L680 HydrophobicContact CG2-CD1 3.93Å; V615-L680 HydrophobicContact CG1-CD1 4.2Å; L632-L680 HydrophobicContact CD2-CD2 4.42Å; Y633-L680 HydrophobicContact CD1-CD2 4.45Å; Y633-L680 HydrophobicContact CE1-CD2 4.48Å; F636-L680 HydrophobicContact CB-CD1 3.68Å; F636-L680 HydrophobicContact CB-CG 4.06Å; F636-L680 HydrophobicContact CD1-CD1 4.38Å; F636-L680 HydrophobicContact CD1-CG 3.92Å; F636-L680 HydrophobicContact CD2-CD1 4.1Å; F636-L680 HydrophobicContact CD2-CD2 3.58Å; F636-L680 HydrophobicContact CD2-CG 3.59Å; F636-L680 HydrophobicContact CE1-CG 4.24Å; F636-L680 HydrophobicContact CE2-CD2 3.76Å; F636-L680 HydrophobicContact CE2-CG 3.92Å; F636-L680 HydrophobicContact CG-CD1 3.82Å; F636-L680 HydrophobicContact CG-CD2 4.12Å; F636-L680 HydrophobicContact CG-CG 3.59Å; F636-L680 HydrophobicContact CZ-CD2 4.43Å; F636-L680 HydrophobicContact CZ-CG 4.23Å; C670-L680 HydrophobicContact CB-CD2 4.43Å; L680-G682 PolarHBondContact O-N 2.87Å; L680-T683 HydrophobicContact CB-CG2 3.8Å; L680-T683 PolarHBondContact N-OG1 2.94Å; L680-T683 PolarHBondContact O-N 2.75Å; L680-T683 PolarHBondContact O-OG1 2.96Å; L680-T683 VanDerWaalsContact O-OG1 3.1Å
681K91.6Very high87Confident77 Ų7757.2 Ų57.234%0.33537%0.368SS..THydrogen-bonded Turntrans-58.4131.4176.2-74.4174.6-179.8176.10110.3H668 E669 C670 C671 T683H668-K681 WeakPolarHBondContact O-CE 3.42Å; H668-K681 PolarHBondContact O-NZ 2.96Å; E669-K681 WeakPolarHBondContact O-CE 3.46Å; E669-K681 PolarHBondContact O-NZ 2.7Å; C670-K681 PolarHBondContact O-N 3.3Å; C670-K681 VanDerWaalsContact O-N 3.09Å; C671-K681 WeakPolarHBondContact O-CE 3.28Å; K681-T683 VanDerWaalsContact C-N 3.32Å; K681-T683 PolarHBondContact O-N 2.65Å
682G84.8Confident86.5Confident52 Ų5260.6 Ų60.654%0.53639%0.389SS..THydrogen-bonded Turntrans80.3-5.3-175.300000116.2L680L680-G682 PolarHBondContact O-N 2.87Å
683T87.6Confident86Confident0 Ų059.4 Ų59.40%039%0.389CS..  trans-98-7178.178.30000114.3F602 V615 H640 L680 K681F602-T683 HydrophobicContact CE1-CG2 4.45Å; F602-T683 HydrophobicContact CZ-CG2 3.96Å; V615-T683 HydrophobicContact CG1-CG2 4.22Å; V615-T683 HydrophobicContact CG2-CG2 3.55Å; H640-T683 PolarHBondContact CE1-O 2.74Å; L680-T683 HydrophobicContact CB-CG2 3.8Å; L680-T683 PolarHBondContact N-OG1 2.94Å; L680-T683 PolarHBondContact O-N 2.75Å; L680-T683 PolarHBondContact O-OG1 2.96Å; L680-T683 VanDerWaalsContact O-OG1 3.1Å; K681-T683 VanDerWaalsContact C-N 3.32Å; K681-T683 PolarHBondContact O-N 2.65Å
684L83.1Confident85.5Confident51 Ų5159.2 Ų59.227%0.26739%0.386SS..SBendtrans-80.1122173.2178.363.8000109.7I672 Y679I672-L684 HydrophobicContact CD1-CD2 4.27Å; I672-L684 HydrophobicContact CG1-CD2 4.44Å; I672-L684 HydrophobicContact CG2-CB 3.95Å; I672-L684 HydrophobicContact CG2-CD2 4.03Å; Y679-L684 HydrophobicContact CD1-CD1 4.22Å; Y679-L684 HydrophobicContact CD2-CD1 3.93Å; Y679-L684 HydrophobicContact CE1-CD1 4.17Å; Y679-L684 HydrophobicContact CE2-CD1 3.91Å; Y679-L684 HydrophobicContact CG-CB 4.31Å; Y679-L684 HydrophobicContact CG-CD1 4.11Å
685Q68.1Low85Confident96 Ų9660.4 Ų60.445%0.44939%0.392SS..  trans-71.4138.7171.5-68.5174.7-10.100110.1S606 L608S606-Q685 PolarHBondContact OG-NE2 3.36Å; L608-Q685 HydrophobicContact CD1-CG 4.21Å; L608-Q685 HydrophobicContact CD2-CG 4.48Å; L608-Q685 HydrophobicContact CG-CG 4.39Å
686S54.2Low84.8Confident192 Ų19257.6 Ų57.6100%1.34336%0.359SS*.  trans-93.40177.1-55.80000111.6

Retrieved 686 of 686 residues in 385.2 ms (Link to these results)

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