A0A077ZC35_TRITR Loading...

Pre-mRNA-splicing factor SPF27

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A077ZC35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 421 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
1M56.5Low80.7Confident232 Ų232153.8 Ų153.8100%1.14378%0.782SS**  0122.80-64.1-147.2168.700109.1R3M1-R3 PolarHBondContact O-N 3.01Å
2P67.9Low81.8Confident127 Ų127147.4 Ų147.483%0.82574%0.742SS**PPolyproline II helixtrans-61.8130.5173.126.5-31000108.7I4P2-I4 PolarHBondContact O-N 3.46Å; P2-I4 VanDerWaalsContact O-N 3.12Å
3R65Low82.6Confident241 Ų241140.3 Ų140.391%0.90972%0.72SS**PPolyproline II helixtrans-62.6116.9174.5-70.3-173.5-168.4-158.63.6108M1 K5M1-R3 PolarHBondContact O-N 3.01Å; R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.11Å
4I79.4Confident83.3Confident155 Ų155137.4 Ų137.480%0.79571%0.712SS**PPolyproline II helixtrans-55.2118.6168.7-61.6171.6000106.7P2 T6P2-I4 PolarHBondContact O-N 3.46Å; P2-I4 VanDerWaalsContact O-N 3.12Å; I4-T6 PolarHBondContact O-N 3.05Å
5K82.6Confident84Confident193 Ų193130.3 Ų130.384%0.83968%0.678SS**  trans-67.1106.7178-69.6-177.2-178.9177.50108.3R3 V7R3-K5 PolarHBondContact O-N 3.18Å; R3-K5 VanDerWaalsContact O-N 3.11Å; K5-V7 PolarHBondContact O-N 2.93Å
6T85.2Confident84.5Confident101 Ų101138.1 Ų138.162%0.6270%0.695SS**  trans-71.2112.1170.146.90000108.8I4 H8I4-T6 PolarHBondContact O-N 3.05Å; T6-H8 WeakPolarHBondContact CB-NE2 3.49Å; T6-H8 PolarHBondContact O-CD2 3.17Å; T6-H8 VanDerWaalsContact O-CD2 3.26Å; T6-H8 PolarHBondContact O-N 3.46Å; T6-H8 PolarHBondContact O-NE2 3.39Å; T6-H8 PolarHBondContact OG1-CE1 3.4Å; T6-H8 PolarHBondContact OG1-NE2 2.89Å
7V87.3Confident84.9Confident139 Ų139140.3 Ų140.384%0.84269%0.694SS**  trans-76.6115.9177.1-179.20000108.8K5K5-V7 PolarHBondContact O-N 2.93Å
8H89.7Confident85.2Confident156 Ų156136.6 Ų136.672%0.72268%0.682SS**  trans-109.2139174.8-52.4-63.7000109.8T6T6-H8 WeakPolarHBondContact CB-NE2 3.49Å; T6-H8 PolarHBondContact O-CD2 3.17Å; T6-H8 VanDerWaalsContact O-CD2 3.26Å; T6-H8 PolarHBondContact O-N 3.46Å; T6-H8 PolarHBondContact O-NE2 3.39Å; T6-H8 PolarHBondContact OG1-CE1 3.4Å; T6-H8 PolarHBondContact OG1-NE2 2.89Å
9S89.7Confident85.6Confident99 Ų99140.6 Ų140.669%0.69269%0.69SS**  trans-125.8151178.262.10000111.8
10K91.8Very high85.9Confident174 Ų174137.6 Ų137.676%0.75767%0.674SS**  trans-71.9132.3173.8-68.4-176.6179.2177.60109.4Y47K10-Y47 WeakPolarHBondContact O-CE1 3.15Å
11V92.4Very high86.3Confident75 Ų75138.6 Ų138.646%0.45568%0.675SS.*  trans-100.3-1.2-178.3-1700000112.1R44 Y47V11-R44 HydrophobicContact CG1-CG 4.31Å; V11-Y47 VanDerWaalsContact C-CD1 3.45Å; V11-Y47 VanDerWaalsContact O-CD1 3.23Å; V11-Y47 WeakPolarHBondContact O-CD1 3.25Å
12Y93.6Very high88.1Confident77 Ų77134.2 Ų134.230%0.30265%0.651SS.*  trans-149.1157.3179.665.9-78.3000110.6T14 R40 W43Y12-T14 HydrophobicContact CE2-CG2 4.22Å; Y12-R40 HydrophobicContact CD1-CG 4.44Å; Y12-R40 HydrophobicContact CD2-CG 4.47Å; Y12-R40 VanDerWaalsContact CE1-NE 3.28Å; Y12-R40 HydrophobicContact CG-CG 4.43Å; Y12-W43 HydrophobicContact CD2-CE3 4.18Å; Y12-W43 HydrophobicContact CE2-CE3 4.5Å
13A92.8Very high89.3Confident55 Ų55129.5 Ų129.546%0.45562%0.617SS.*  trans-117140.9168.700000109.1Y47A13-Y47 HydrophobicContact CB-CD2 3.82Å; A13-Y47 HydrophobicContact CB-CE2 4.32Å
14T93.1Very high90.7Very high99 Ų99120.5 Ų120.561%0.60759%0.587SS**  trans-78.3148.8175.345.70000110.6Y12 W43Y12-T14 HydrophobicContact CE2-CG2 4.22Å; T14-W43 HydrophobicContact CG2-CE3 4.4Å; T14-W43 HydrophobicContact CG2-CZ3 4.11Å
15P93Very high91.4Very high31 Ų31116.6 Ų116.620%0.20157%0.568CS.*  trans-58.7142.1174.8-21.131.6000111.6R23 W43P15-R23 VanDerWaalsContact CB-CZ 3.49Å; P15-R23 VanDerWaalsContact CG-NH1 3.33Å; P15-W43 HydrophobicContact CG-CD2 4.47Å; P15-W43 HydrophobicContact CG-CZ2 3.74Å
16R91.5Very high92Very high255 Ų255112.9 Ų112.996%0.96255%0.553SS**SBendtrans-65.7-38.5175.9-71.1-175174-171.9-2.7112.4
17R91.7Very high92.4Very high176 Ų176108.1 Ų108.166%0.66452%0.524SS*.SBendtrans-114.3102.8178.6-67.8-179.3179.4169.8-2.6109.9Y19 E20 R23R17-Y19 PolarHBondContact O-N 3.01Å; R17-E20 HydrophobicContact CB-CB 4.43Å; R17-R23 PolarHBondContact O-NE 2.96Å; R17-R23 PolarHBondContact O-NH2 3.11Å
18P91.2Very high92.7Very high74 Ų74106.6 Ų106.648%0.48151%0.51SS..THydrogen-bonded Turntrans-65.7-31.2-173.7-26.136.1000115.5R23P18-R23 PolarHBondContact O-NH2 3.32Å
19Y91.9Very high93Very high212 Ų212106 Ų10683%0.83151%0.506SS*.THydrogen-bonded Turntrans-111.328.9-169.8-56.2-70.8000114.4R17 K21R17-Y19 PolarHBondContact O-N 3.01Å; Y19-K21 PolarHBondContact O-N 2.95Å
20E92.7Very high93.3Very high80 Ų80102.2 Ų102.237%0.37448%0.478SS..  trans-79.2112.6175.9-175.4169.7-138.200110.5R17 E22 R23 L24R17-E20 HydrophobicContact CB-CB 4.43Å; E20-E22 PolarHBondContact O-N 2.84Å; E20-R23 HydrophobicContact CB-CB 4.22Å; E20-R23 HydrophobicContact CG-CB 4.21Å; E20-R23 PolarHBondContact O-N 3.44Å; E20-L24 WeakPolarHBondContact O-CG 3.4Å; E20-L24 PolarHBondContact O-N 3.28Å
21K93.7Very high93.4Very high159 Ų15995.4 Ų95.469%0.69145%0.449SS*.Hα-helixtrans-55.7-51.6-172.1-174.9178.8178.3-177.70112.8Y19 R23 L24 D25Y19-K21 PolarHBondContact O-N 2.95Å; K21-R23 VanDerWaalsContact C-N 3.3Å; K21-R23 PolarHBondContact O-N 2.92Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 2.84Å; K21-D25 PolarHBondContact O-N 3.22Å
22E93.4Very high93.4Very high140 Ų14094.1 Ų94.165%0.65445%0.451SS*.Hα-helixtrans-57.2-43.3-178.9-62.6-176.7172.700112.4E20 D25 Q26E20-E22 PolarHBondContact O-N 2.84Å; E22-D25 PolarHBondContact O-N 3.45Å; E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.29Å; E22-Q26 PolarHBondContact O-N 2.93Å
23R94.2Very high93.4Very high28 Ų2895.7 Ų95.711%0.10646%0.461CS..Hα-helixtrans-65.7-41177.1-174.2-17561.367.85111.3P15 R17 P18 E20 K21 E27P15-R23 VanDerWaalsContact CB-CZ 3.49Å; P15-R23 VanDerWaalsContact CG-NH1 3.33Å; R17-R23 PolarHBondContact O-NE 2.96Å; R17-R23 PolarHBondContact O-NH2 3.11Å; P18-R23 PolarHBondContact O-NH2 3.32Å; E20-R23 HydrophobicContact CB-CB 4.22Å; E20-R23 HydrophobicContact CG-CB 4.21Å; E20-R23 PolarHBondContact O-N 3.44Å; K21-R23 VanDerWaalsContact C-N 3.3Å; K21-R23 PolarHBondContact O-N 2.92Å; R23-E27 IonicContact CZ-OE1 4Å; R23-E27 IonicContact NH1-OE1 2.92Å; R23-E27 PolarHBondContact NH1-OE1 3.47Å; R23-E27 IonicContact NH1-OE2 2.95Å; R23-E27 PolarHBondContact NH1-OE2 2.95Å; R23-E27 WeakPolarHBondContact O-CB 3.2Å; R23-E27 VanDerWaalsContact O-CG 3.25Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.5Å
24L93.7Very high93.5Very high52 Ų5294.6 Ų94.627%0.27245%0.445SS..Hα-helixtrans-63.4-43.7178.4-72.7174.9000111.3E20 K21 E27 L28 K39E20-L24 WeakPolarHBondContact O-CG 3.4Å; E20-L24 PolarHBondContact O-N 3.28Å; K21-L24 WeakPolarHBondContact O-CB 3.47Å; K21-L24 PolarHBondContact O-N 2.84Å; L24-E27 PolarHBondContact O-N 3Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.94Å; L24-K39 PolarHBondContact O-NZ 2.89Å
25D95.3Very high93.5Very high73 Ų7390 Ų9039%0.3942%0.417SS..Hα-helixtrans-66.5-44.8178.8-68.6-19.6000111.4K21 E22 E27 L28 K29K21-D25 PolarHBondContact O-N 3.22Å; E22-D25 PolarHBondContact O-N 3.45Å; D25-E27 PolarHBondContact O-N 3.02Å; D25-L28 PolarHBondContact O-N 3.21Å; D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.48Å
26Q93.6Very high93.6Very high116 Ų11689 Ų8954%0.54241%0.41SS..Hα-helixtrans-60-45.3173.6-73.1171.28.600112.1E22 L28 K29 L30E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.29Å; E22-Q26 PolarHBondContact O-N 2.93Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.86Å; Q26-K29 PolarHBondContact O-N 3.2Å; Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.34Å; Q26-L30 VanDerWaalsContact O-N 3.09Å
27E94.4Very high93.7Very high1 Ų186 Ų861%0.00540%0.399CS..Hα-helixtrans-64.6-35.4176.7-75.2176.7-177.500111.9R23 L24 D25 I31 K39 V42 W43 K46R23-E27 IonicContact CZ-OE1 4Å; R23-E27 IonicContact NH1-OE1 2.92Å; R23-E27 PolarHBondContact NH1-OE1 3.47Å; R23-E27 IonicContact NH1-OE2 2.95Å; R23-E27 PolarHBondContact NH1-OE2 2.95Å; R23-E27 WeakPolarHBondContact O-CB 3.2Å; R23-E27 VanDerWaalsContact O-CG 3.25Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.5Å; L24-E27 PolarHBondContact O-N 3Å; D25-E27 PolarHBondContact O-N 3.02Å; E27-I31 WeakPolarHBondContact O-CB 3.38Å; E27-I31 WeakPolarHBondContact O-CD1 3.35Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 2.94Å; E27-K39 IonicContact OE2-NZ 3.41Å; E27-K39 PolarHBondContact OE2-NZ 3.02Å; E27-V42 HydrophobicContact CG-CG1 4.2Å; E27-W43 PolarHBondContact OE1-NE1 2.97Å; E27-W43 PolarHBondContact OE2-NE1 3.36Å; E27-K46 IonicContact OE1-NZ 2.99Å; E27-K46 PolarHBondContact OE1-NZ 3.49Å
28L94.4Very high93.7Very high106 Ų10681.7 Ų81.756%0.55539%0.389SS*.Hα-helixtrans-68.4-42.8177.6-170.466.1000111.4L24 D25 Q26 L30 I31 G32L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 PolarHBondContact O-N 2.94Å; D25-L28 PolarHBondContact O-N 3.21Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 2.86Å; L28-L30 PolarHBondContact O-N 2.75Å; L28-I31 PolarHBondContact O-N 2.83Å; L28-G32 PolarHBondContact O-N 3.26Å
29K95.2Very high93.8Very high144 Ų14481 Ų8163%0.62638%0.378SS*.Hα-helixtrans-56-50.3172.6-72.5178.1-179-175.60111.4D25 Q26 I31 G32 E33D25-K29 WeakPolarHBondContact O-CG 3.22Å; D25-K29 PolarHBondContact O-N 3.48Å; Q26-K29 PolarHBondContact O-N 3.2Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.44Å; K29-G32 PolarHBondContact O-N 3.38Å; K29-G32 VanDerWaalsContact O-N 3.15Å; K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.38Å
30L95Very high93.9Very high20 Ų2076.1 Ų76.111%0.10536%0.358CS..Hα-helixtrans-61-36.2176.8-69.6173.9000113.1Q26 L28 Y34 V42 V103 E104 L107Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.34Å; Q26-L30 VanDerWaalsContact O-N 3.09Å; L28-L30 PolarHBondContact O-N 2.75Å; L30-Y34 HydrophobicContact CD2-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CE2 4.15Å; L30-Y34 WeakPolarHBondContact O-CD2 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å; L30-V42 HydrophobicContact CD1-CG1 4.18Å; L30-V103 HydrophobicContact CD1-CB 4.48Å; L30-V103 HydrophobicContact CD1-CG1 4.2Å; L30-E104 HydrophobicContact CD2-CG 3.91Å; L30-L107 HydrophobicContact CB-CD1 4.43Å; L30-L107 HydrophobicContact CD2-CD1 4.17Å
31I95Very high94Very high31 Ų3173.6 Ų73.616%0.15935%0.347CS..Hα-helixtrans-65.7-43.5176.5-74163.4000110.7E27 L28 K29 G35 L36 K39 V42E27-I31 WeakPolarHBondContact O-CB 3.38Å; E27-I31 WeakPolarHBondContact O-CD1 3.35Å; E27-I31 WeakPolarHBondContact O-CG1 3.35Å; E27-I31 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 2.83Å; K29-I31 VanDerWaalsContact C-N 3.29Å; K29-I31 PolarHBondContact O-N 3.44Å; I31-G35 VanDerWaalsContact O-CA 3.3Å; I31-G35 WeakPolarHBondContact O-CA 3.25Å; I31-G35 PolarHBondContact O-N 2.96Å; I31-L36 HydrophobicContact CB-CB 4.43Å; I31-L36 HydrophobicContact CG1-CB 4.1Å; I31-L36 HydrophobicContact CG1-CD1 4.35Å; I31-L36 HydrophobicContact CG2-CB 4.4Å; I31-L36 WeakPolarHBondContact CG2-O 3.44Å; I31-L36 PolarHBondContact O-N 3.42Å; I31-L36 VanDerWaalsContact O-N 3.1Å; I31-K39 HydrophobicContact CD1-CB 4.43Å; I31-K39 HydrophobicContact CD1-CG 3.58Å; I31-V42 HydrophobicContact CD1-CG2 4.47Å; I31-V42 HydrophobicContact CG1-CG2 3.95Å
32G93Very high94Very high47 Ų4766 Ų6649%0.48531%0.314SS..Hα-helixtrans-65.1-49.3178.100000112.8L28 K29 Y34L28-G32 PolarHBondContact O-N 3.26Å; K29-G32 PolarHBondContact O-N 3.38Å; K29-G32 VanDerWaalsContact O-N 3.15Å; G32-Y34 PolarHBondContact O-N 3.22Å
33E93.4Very high94.1Very high110 Ų11061.9 Ų61.951%0.51429%0.292SS..Hα-helixtrans-66.5-31.1-177.3-74177.5-174.200114.1K29 I124K29-E33 WeakPolarHBondContact O-CG 3.49Å; K29-E33 PolarHBondContact O-N 3.38Å; E33-I124 WeakPolarHBondContact O-CD1 3.32Å
34Y94.8Very high94.2Very high33 Ų3365 Ų6513%0.12930%0.304CS..Hα-helixtrans-112.84.7-176.6-64.7-87.7000113.4L30 G32 L36 E104 L107 Q112 T113 I124L30-Y34 HydrophobicContact CD2-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CE2 4.15Å; L30-Y34 WeakPolarHBondContact O-CD2 3.32Å; L30-Y34 PolarHBondContact O-N 2.96Å; G32-Y34 PolarHBondContact O-N 3.22Å; Y34-L36 PolarHBondContact O-N 2.97Å; Y34-E104 HydrophobicContact CE2-CG 4.34Å; Y34-L107 HydrophobicContact CD1-CB 3.51Å; Y34-L107 HydrophobicContact CD2-CB 4Å; Y34-L107 HydrophobicContact CD2-CD1 3.7Å; Y34-L107 HydrophobicContact CD2-CG 4.48Å; Y34-L107 HydrophobicContact CE1-CB 3.58Å; Y34-L107 HydrophobicContact CE2-CB 4.08Å; Y34-L107 HydrophobicContact CE2-CD1 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.73Å; Y34-L107 HydrophobicContact CG-CD1 4.03Å; Y34-L107 HydrophobicContact CG-CG 4.41Å; Y34-Q112 PolarHBondContact O-NE2 3.05Å; Y34-T113 HydrophobicContact CD1-CG2 4.02Å; Y34-T113 HydrophobicContact CE1-CG2 4.08Å; Y34-I124 VanDerWaalsContact O-CG2 3.27Å; Y34-I124 WeakPolarHBondContact O-CG2 3.24Å
35G93Very high94.2Very high1 Ų163.4 Ų63.41%0.0130%0.296CS..THydrogen-bonded Turntrans5548.8178.700000113.4I31 Q112I31-G35 VanDerWaalsContact O-CA 3.3Å; I31-G35 WeakPolarHBondContact O-CA 3.25Å; I31-G35 PolarHBondContact O-N 2.96Å; G35-Q112 PolarHBondContact O-NE2 3.42Å
36L94.7Very high94.2Very high10 Ų1063 Ų635%0.05229%0.291CS..  trans-80.5145.4-179.9-58.2178.1000110.8I31 Y34 E41 V42 L107I31-L36 HydrophobicContact CB-CB 4.43Å; I31-L36 HydrophobicContact CG1-CB 4.1Å; I31-L36 HydrophobicContact CG1-CD1 4.35Å; I31-L36 HydrophobicContact CG2-CB 4.4Å; I31-L36 WeakPolarHBondContact CG2-O 3.44Å; I31-L36 PolarHBondContact O-N 3.42Å; I31-L36 VanDerWaalsContact O-N 3.1Å; Y34-L36 PolarHBondContact O-N 2.97Å; L36-E41 HydrophobicContact CB-CB 4.46Å; L36-E41 HydrophobicContact CD1-CB 4.5Å; L36-E41 HydrophobicContact CD2-CB 4.28Å; L36-V42 HydrophobicContact CD1-CG2 3.43Å; L36-V42 VanDerWaalsContact CD1-CG2 3.43Å; L36-L107 HydrophobicContact CD1-CD1 4.31Å; L36-L107 HydrophobicContact CD1-CD2 4.15Å; L36-L107 HydrophobicContact CD2-CD2 4.19Å
37R92.8Very high94.3Very high193 Ų19360.9 Ų60.973%0.72828%0.279SS*.SBendtrans-75.1-46.2-179-170.7-172.3166.9175.6-2112.2E41R37-E41 PolarHBondContact N-OE1 2.98Å
38N92.6Very high94.2Very high85 Ų8563.4 Ų63.446%0.45529%0.294SS..SBendtrans-137.3154.5-174.1-64.33.9000110.8R40 E41N38-R40 HydrophobicContact CB-CB 4.31Å; N38-R40 PolarHBondContact O-N 3.43Å; N38-E41 WeakPolarHBondContact O-CB 3.47Å; N38-E41 PolarHBondContact O-N 3.49Å
39K93.2Very high94.2Very high60 Ų6059 Ų5926%0.26127%0.271SS..Hα-helixtrans-53.4-27.3169.3-72.4178.3179.9-79.30113.3L24 E27 I31 E41 V42 W43L24-K39 PolarHBondContact O-NZ 2.89Å; E27-K39 IonicContact OE2-NZ 3.41Å; E27-K39 PolarHBondContact OE2-NZ 3.02Å; I31-K39 HydrophobicContact CD1-CB 4.43Å; I31-K39 HydrophobicContact CD1-CG 3.58Å; K39-E41 PolarHBondContact O-N 3.22Å; K39-V42 WeakPolarHBondContact O-CB 3.31Å; K39-V42 PolarHBondContact O-N 2.89Å; K39-W43 HydrophobicContact CB-CZ2 3.94Å; K39-W43 PolarHBondContact O-N 3.35Å
40R94.4Very high94.1Very high109 Ų10954.6 Ų54.641%0.41126%0.262SS..Hα-helixtrans-56.3-34173.6-173178.9178.7-145.34.4113.2Y12 N38 W43 R44Y12-R40 HydrophobicContact CD1-CG 4.44Å; Y12-R40 HydrophobicContact CD2-CG 4.47Å; Y12-R40 VanDerWaalsContact CE1-NE 3.28Å; Y12-R40 HydrophobicContact CG-CG 4.43Å; N38-R40 HydrophobicContact CB-CB 4.31Å; N38-R40 PolarHBondContact O-N 3.43Å; R40-W43 PolarHBondContact O-N 3.31Å; R40-R44 VanDerWaalsContact NH2-NH2 3.2Å; R40-R44 WeakPolarHBondContact O-CG 3.4Å; R40-R44 PolarHBondContact O-N 3.24Å
41E94Very high94Very high28 Ų2861 Ų6113%0.13128%0.284CS..Hα-helixtrans-67.1-40.6176.6-65.5-164.2-146.300111.1L36 R37 N38 K39 W43 R44 V45 R110 R128L36-E41 HydrophobicContact CB-CB 4.46Å; L36-E41 HydrophobicContact CD1-CB 4.5Å; L36-E41 HydrophobicContact CD2-CB 4.28Å; R37-E41 PolarHBondContact N-OE1 2.98Å; N38-E41 WeakPolarHBondContact O-CB 3.47Å; N38-E41 PolarHBondContact O-N 3.49Å; K39-E41 PolarHBondContact O-N 3.22Å; E41-W43 VanDerWaalsContact C-N 3.33Å; E41-W43 PolarHBondContact O-N 2.94Å; E41-R44 PolarHBondContact O-N 3.14Å; E41-V45 PolarHBondContact O-N 2.89Å; E41-R110 IonicContact OE2-CZ 3.1Å; E41-R110 IonicContact OE2-NH1 3.55Å; E41-R110 PolarHBondContact OE2-NH1 2.96Å; E41-R110 IonicContact OE2-NH2 2.77Å; E41-R110 PolarHBondContact OE2-NH2 3.49Å; E41-R128 IonicContact OE1-CZ 3.5Å; E41-R128 IonicContact OE1-NH1 3.99Å; E41-R128 PolarHBondContact OE1-NH1 2.83Å; E41-R128 IonicContact OE1-NH2 3.34Å; E41-R128 PolarHBondContact OE1-NH2 3.28Å; E41-R128 IonicContact OE2-NH1 3.65Å
42V94.7Very high93.9Very high0 Ų060.8 Ų60.80%028%0.283CS..Hα-helixtrans-60.7-44.6172.7-175.80000110.3E27 L30 I31 L36 K39 R44 V45 K46E27-V42 HydrophobicContact CG-CG1 4.2Å; L30-V42 HydrophobicContact CD1-CG1 4.18Å; I31-V42 HydrophobicContact CD1-CG2 4.47Å; I31-V42 HydrophobicContact CG1-CG2 3.95Å; L36-V42 HydrophobicContact CD1-CG2 3.43Å; L36-V42 VanDerWaalsContact CD1-CG2 3.43Å; K39-V42 WeakPolarHBondContact O-CB 3.31Å; K39-V42 PolarHBondContact O-N 2.89Å; V42-R44 VanDerWaalsContact C-N 3.33Å; V42-R44 PolarHBondContact O-N 3.47Å; V42-V45 PolarHBondContact O-N 3.48Å; V42-K46 HydrophobicContact CG1-CD 4.14Å; V42-K46 HydrophobicContact CG1-CG 4.28Å; V42-K46 WeakPolarHBondContact O-CG 3.4Å; V42-K46 PolarHBondContact O-N 3.32Å
43W95.6Very high93.9Very high53 Ų5363.2 Ų63.220%0.20128%0.278CS..Hα-helixtrans-66.3-31.4-179.3-57.7-19.1000113.7Y12 T14 P15 E27 K39 R40 E41 Y47Y12-W43 HydrophobicContact CD2-CE3 4.18Å; Y12-W43 HydrophobicContact CE2-CE3 4.5Å; T14-W43 HydrophobicContact CG2-CE3 4.4Å; T14-W43 HydrophobicContact CG2-CZ3 4.11Å; P15-W43 HydrophobicContact CG-CD2 4.47Å; P15-W43 HydrophobicContact CG-CZ2 3.74Å; E27-W43 PolarHBondContact OE1-NE1 2.97Å; E27-W43 PolarHBondContact OE2-NE1 3.36Å; K39-W43 HydrophobicContact CB-CZ2 3.94Å; K39-W43 PolarHBondContact O-N 3.35Å; R40-W43 PolarHBondContact O-N 3.31Å; E41-W43 VanDerWaalsContact C-N 3.33Å; E41-W43 PolarHBondContact O-N 2.94Å; W43-Y47 WeakPolarHBondContact O-CB 3.3Å; W43-Y47 PolarHBondContact O-N 3.02Å
44R95Very high93.8Very high94 Ų9463.4 Ų63.436%0.35528%0.277SS..Hα-helixtrans-63.5-45.4172-73.9-179.8-174.1-167.40.5111.2V11 R40 E41 V42 Y47 T48V11-R44 HydrophobicContact CG1-CG 4.31Å; R40-R44 VanDerWaalsContact NH2-NH2 3.2Å; R40-R44 WeakPolarHBondContact O-CG 3.4Å; R40-R44 PolarHBondContact O-N 3.24Å; E41-R44 PolarHBondContact O-N 3.14Å; V42-R44 VanDerWaalsContact C-N 3.33Å; V42-R44 PolarHBondContact O-N 3.47Å; R44-Y47 PolarHBondContact O-N 2.92Å; R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.29Å
45V94.2Very high93.6Very high18 Ų1863.1 Ų63.111%0.10928%0.279CS..Hα-helixtrans-68.5-42.1179.2-178.40000111.2E41 V42 Y47 T48 L49 V103 F106 L107E41-V45 PolarHBondContact O-N 2.89Å; V42-V45 PolarHBondContact O-N 3.48Å; V45-Y47 VanDerWaalsContact C-N 3.28Å; V45-Y47 PolarHBondContact O-N 3.37Å; V45-T48 WeakPolarHBondContact CA-OG1 3.49Å; V45-T48 PolarHBondContact O-N 2.82Å; V45-T48 PolarHBondContact O-OG1 2.95Å; V45-L49 VanDerWaalsContact O-CB 3.32Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 PolarHBondContact O-N 3.37Å; V45-V103 HydrophobicContact CB-CG1 4.27Å; V45-V103 HydrophobicContact CG1-CG1 3.81Å; V45-F106 HydrophobicContact CG1-CB 3.46Å; V45-F106 VanDerWaalsContact CG1-CB 3.46Å; V45-F106 HydrophobicContact CG1-CG 4.13Å; V45-L107 HydrophobicContact CG2-CD2 3.91Å
46K94.9Very high93.4Very high63 Ų6363.1 Ų63.127%0.27428%0.278SS..Hα-helixtrans-58.1-41.8172.2-75.2-176.7176.6-178.80111.4E27 V42 L49 A50 V103E27-K46 IonicContact OE1-NZ 2.99Å; E27-K46 PolarHBondContact OE1-NZ 3.49Å; V42-K46 HydrophobicContact CG1-CD 4.14Å; V42-K46 HydrophobicContact CG1-CG 4.28Å; V42-K46 WeakPolarHBondContact O-CG 3.4Å; V42-K46 PolarHBondContact O-N 3.32Å; K46-L49 PolarHBondContact O-N 2.9Å; K46-A50 VanDerWaalsContact O-CB 3.28Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 2.98Å; K46-V103 HydrophobicContact CG-CG2 3.87Å
47Y95Very high93.2Very high73 Ų7369.7 Ų69.729%0.28630%0.302SS..Hα-helixtrans-66.8-43.1178.2-176.6-104.7000112.5K10 V11 A13 W43 R44 V45 A50 R51K10-Y47 WeakPolarHBondContact O-CE1 3.15Å; V11-Y47 VanDerWaalsContact C-CD1 3.45Å; V11-Y47 VanDerWaalsContact O-CD1 3.23Å; V11-Y47 WeakPolarHBondContact O-CD1 3.25Å; A13-Y47 HydrophobicContact CB-CD2 3.82Å; A13-Y47 HydrophobicContact CB-CE2 4.32Å; W43-Y47 WeakPolarHBondContact O-CB 3.3Å; W43-Y47 PolarHBondContact O-N 3.02Å; R44-Y47 PolarHBondContact O-N 2.92Å; V45-Y47 VanDerWaalsContact C-N 3.28Å; V45-Y47 PolarHBondContact O-N 3.37Å; Y47-A50 PolarHBondContact O-N 3.41Å; Y47-R51 HydrophobicContact CE1-CG 4.31Å; Y47-R51 WeakPolarHBondContact O-CG 3.44Å; Y47-R51 PolarHBondContact O-N 2.91Å
48T93.3Very high93Very high53 Ų5364.7 Ų64.733%0.32529%0.288SS..Hα-helixtrans-63.9-43.2174.850.80000111.8R44 V45 A50 R51 I52R44-T48 PolarHBondContact O-N 3.19Å; R44-T48 PolarHBondContact O-OG1 3.29Å; V45-T48 WeakPolarHBondContact CA-OG1 3.49Å; V45-T48 PolarHBondContact O-N 2.82Å; V45-T48 PolarHBondContact O-OG1 2.95Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.36Å; T48-R51 PolarHBondContact O-N 3.34Å; T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 3.14Å
49L94Very high92.7Very high13 Ų1361 Ų617%0.06827%0.267CS..Hα-helixtrans-61.6-43175.8179.164.2000111.2V45 K46 R51 I52 R53 L101 V103 F106V45-L49 VanDerWaalsContact O-CB 3.32Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 PolarHBondContact O-N 3.37Å; K46-L49 PolarHBondContact O-N 2.9Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.5Å; L49-I52 PolarHBondContact O-N 3.16Å; L49-R53 HydrophobicContact CD1-CG 4.26Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 WeakPolarHBondContact O-CG 3.47Å; L49-R53 PolarHBondContact O-N 3.26Å; L49-L101 HydrophobicContact CD1-CB 3.69Å; L49-V103 HydrophobicContact CD2-CG2 3.88Å; L49-F106 HydrophobicContact CD1-CD2 4.31Å; L49-F106 HydrophobicContact CD1-CE2 3.74Å
50A94.3Very high92.3Very high53 Ų5360.6 Ų60.644%0.43827%0.268SS..Hα-helixtrans-63.1-38.8177.100000112.4K46 Y47 T48 R53 K54K46-A50 VanDerWaalsContact O-CB 3.28Å; K46-A50 WeakPolarHBondContact O-CB 3.39Å; K46-A50 PolarHBondContact O-N 2.98Å; Y47-A50 PolarHBondContact O-N 3.41Å; T48-A50 VanDerWaalsContact C-N 3.35Å; T48-A50 PolarHBondContact O-N 3.36Å; A50-R53 PolarHBondContact O-N 3.16Å; A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.27Å
51R92.8Very high92Very high153 Ų15361 Ų6158%0.57728%0.283SS*.Hα-helixtrans-62.9-48.3173.5-74.3-176.964.7-172.70.4111.4Y47 T48 L49 R53 K54 T55Y47-R51 HydrophobicContact CE1-CG 4.31Å; Y47-R51 WeakPolarHBondContact O-CG 3.44Å; Y47-R51 PolarHBondContact O-N 2.91Å; T48-R51 PolarHBondContact O-N 3.34Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.5Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.41Å; R51-K54 WeakPolarHBondContact O-CB 3.36Å; R51-K54 PolarHBondContact O-N 2.87Å; R51-K54 VanDerWaalsContact O-N 3.11Å; R51-T55 WeakPolarHBondContact O-CG2 3.35Å; R51-T55 PolarHBondContact O-N 2.91Å; R51-T55 PolarHBondContact O-OG1 3.45Å
52I91.3Very high91.6Very high27 Ų2762.3 Ų62.314%0.13829%0.29CS..Hα-helixtrans-61-39.7178.2-69.4169.1000111.5T48 L49 T55 A56 L78 L82 V98 F106T48-I52 VanDerWaalsContact O-CG1 3.28Å; T48-I52 WeakPolarHBondContact O-CG1 3.36Å; T48-I52 PolarHBondContact O-N 3.14Å; L49-I52 PolarHBondContact O-N 3.16Å; I52-T55 WeakPolarHBondContact CA-OG1 3.5Å; I52-T55 PolarHBondContact O-OG1 3.12Å; I52-A56 WeakPolarHBondContact O-CB 3.34Å; I52-A56 PolarHBondContact O-N 3.25Å; I52-L78 HydrophobicContact CG1-CD1 4.12Å; I52-L78 HydrophobicContact CG2-CD1 4.09Å; I52-L78 HydrophobicContact CG2-CD2 4.2Å; I52-L78 HydrophobicContact CG2-CG 4.5Å; I52-L82 HydrophobicContact CD1-CD2 4.29Å; I52-L82 HydrophobicContact CG2-CD1 4.27Å; I52-V98 HydrophobicContact CG2-CG1 3.49Å; I52-V98 VanDerWaalsContact CG2-CG1 3.49Å; I52-F106 HydrophobicContact CD1-CE1 3.93Å; I52-F106 HydrophobicContact CD1-CZ 3.52Å
53R93.1Very high91.1Very high99 Ų9967.1 Ų67.137%0.37432%0.316SS..Hα-helixtrans-73.6-27.1175.8-71.117970.5154.71.2113L49 A50 R51 R57 L99L49-R53 HydrophobicContact CD1-CG 4.26Å; L49-R53 WeakPolarHBondContact O-CB 3.34Å; L49-R53 WeakPolarHBondContact O-CG 3.47Å; L49-R53 PolarHBondContact O-N 3.26Å; A50-R53 PolarHBondContact O-N 3.16Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.41Å; R53-R57 WeakPolarHBondContact O-CG 3.32Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.15Å; R53-R57 PolarHBondContact O-NE 2.85Å; R53-L99 PolarHBondContact NE-O 3.02Å; R53-L99 PolarHBondContact NH1-O 3.21Å; R53-L99 PolarHBondContact NH2-O 3.43Å
54K92.6Very high90.3Very high114 Ų11471.2 Ų71.250%0.49634%0.338SS..Hα-helixtrans-68.4-51.4173.3-176.3-178.1169.1-178.10109.9A50 R51 A56 R57 E58A50-K54 WeakPolarHBondContact O-CB 3.31Å; A50-K54 PolarHBondContact O-N 3.27Å; R51-K54 WeakPolarHBondContact O-CB 3.36Å; R51-K54 PolarHBondContact O-N 2.87Å; R51-K54 VanDerWaalsContact O-N 3.11Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.46Å; K54-R57 PolarHBondContact O-N 2.9Å; K54-R57 VanDerWaalsContact O-N 3.15Å; K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 IonicContact NZ-OE1 3.18Å; K54-E58 PolarHBondContact O-N 2.87Å
55T89.5Confident89.7Confident27 Ų2775 Ų7517%0.16636%0.356CS..Hα-helixtrans-58.8-44.1176.455.20000111R51 I52 R57 E58 L59 E74R51-T55 WeakPolarHBondContact O-CG2 3.35Å; R51-T55 PolarHBondContact O-N 2.91Å; R51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 WeakPolarHBondContact CA-OG1 3.5Å; I52-T55 PolarHBondContact O-OG1 3.12Å; T55-R57 PolarHBondContact O-N 3.39Å; T55-E58 PolarHBondContact O-N 2.88Å; T55-L59 WeakPolarHBondContact O-CB 3.4Å; T55-L59 WeakPolarHBondContact O-CD1 3.34Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.14Å; T55-E74 WeakPolarHBondContact CB-OE2 3.37Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.44Å; T55-E74 VanDerWaalsContact CG2-OE2 3.24Å; T55-E74 WeakPolarHBondContact CG2-OE2 3.36Å
56A89.4Confident89Confident0 Ų077 Ų770%037%0.366CS..Hα-helixtrans-59.8-40.1176.300000113.5I52 K54 L59 L60 V98 L99I52-A56 WeakPolarHBondContact O-CB 3.34Å; I52-A56 PolarHBondContact O-N 3.25Å; K54-A56 VanDerWaalsContact C-N 3.32Å; K54-A56 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 3.32Å; A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.36Å; A56-L60 PolarHBondContact O-N 3.45Å; A56-L60 VanDerWaalsContact O-N 3.08Å; A56-V98 HydrophobicContact CB-CB 4.17Å; A56-V98 HydrophobicContact CB-CG1 3.91Å; A56-L99 HydrophobicContact CB-CD2 4.02Å
57R91.3Very high88.2Confident148 Ų14877.7 Ų77.756%0.55838%0.378SS*.Hα-helixtrans-67.1-42.5176.6-77.4-177.6-67.8153.5-0.1112.5R53 K54 T55 L59 L60 T61 L99R53-R57 WeakPolarHBondContact O-CG 3.32Å; R53-R57 PolarHBondContact O-N 3.3Å; R53-R57 VanDerWaalsContact O-N 3.15Å; R53-R57 PolarHBondContact O-NE 2.85Å; K54-R57 PolarHBondContact O-N 2.9Å; K54-R57 VanDerWaalsContact O-N 3.15Å; T55-R57 PolarHBondContact O-N 3.39Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.41Å; R57-L60 PolarHBondContact O-N 3.18Å; R57-T61 PolarHBondContact O-N 3.47Å; R57-L99 HydrophobicContact CG-CD2 3.75Å
58E88.1Confident87.2Confident89 Ų8982.7 Ų82.742%0.41640%0.396SS..Hα-helixtrans-63.8-37.1177.5-70.8170.5178.400111.2K54 T55 T61K54-E58 WeakPolarHBondContact CE-OE1 3.49Å; K54-E58 IonicContact NZ-OE1 3.18Å; K54-E58 PolarHBondContact O-N 2.87Å; T55-E58 PolarHBondContact O-N 2.88Å; E58-T61 PolarHBondContact O-N 3.43Å; E58-T61 PolarHBondContact O-OG1 2.8Å
59L85.2Confident86.3Confident6 Ų682.5 Ų82.53%0.03139%0.39CS..Hα-helixtrans-70.1-35.4176.2-69.2164.2000113.6T55 A56 R57 T61 L62 R69 E74 L95T55-L59 WeakPolarHBondContact O-CB 3.4Å; T55-L59 WeakPolarHBondContact O-CD1 3.34Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.14Å; A56-L59 PolarHBondContact O-N 3.32Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.41Å; L59-T61 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-R69 PolarHBondContact O-NH1 2.93Å; L59-E74 HydrophobicContact CD1-CB 3.62Å; L59-E74 VanDerWaalsContact CD1-O 3.29Å; L59-E74 WeakPolarHBondContact CD1-O 3.34Å; L59-E74 HydrophobicContact CD2-CB 4.04Å; L59-E74 HydrophobicContact CG-CB 4.11Å; L59-L95 HydrophobicContact CB-CD1 3.79Å; L59-L95 HydrophobicContact CD1-CD1 4.35Å; L59-L95 HydrophobicContact CD1-CD2 4.05Å
60L86.6Confident85.2Confident52 Ų5285.9 Ų85.927%0.27241%0.407SS..Hα-helixtrans-70-21.3179.4-76.9168.9000112.8A56 R57 L62 L95 D96 L99A56-L60 VanDerWaalsContact O-CG 3.29Å; A56-L60 WeakPolarHBondContact O-CG 3.36Å; A56-L60 PolarHBondContact O-N 3.45Å; A56-L60 VanDerWaalsContact O-N 3.08Å; R57-L60 PolarHBondContact O-N 3.18Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L95 HydrophobicContact CD1-CB 4.48Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.32Å; L60-L95 HydrophobicContact CG-CB 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.48Å; L60-D96 WeakPolarHBondContact CD2-OD1 3.49Å; L60-L99 HydrophobicContact CD1-CD1 3.62Å; L60-L99 HydrophobicContact CD1-CG 4.21Å
61T87.4Confident83.5Confident119 Ų11992.5 Ų92.573%0.7343%0.426SS*.THydrogen-bonded Turntrans-79.4-15.1174.453.20000114.2R57 E58 L59R57-T61 PolarHBondContact O-N 3.47Å; E58-T61 PolarHBondContact O-N 3.43Å; E58-T61 PolarHBondContact O-OG1 2.8Å; L59-T61 PolarHBondContact O-N 2.95Å
62L85.4Confident81.5Confident54 Ų5492.9 Ų92.928%0.28344%0.435SS..SBendtrans-87.2152.6179-62.7173.2000110.7L59 L60 D66 R68 R69L59-L62 PolarHBondContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L62-D66 HydrophobicContact CB-CB 4.32Å; L62-R68 HydrophobicContact CD1-CB 3.92Å; L62-R69 PolarHBondContact O-NH1 3.49Å
63D84.2Confident79.5Confident101 Ų10193.9 Ų93.954%0.5445%0.452SS..  trans-65.4149.7177.1-173.123.8000110.4K65 D66 R69D63-K65 PolarHBondContact O-N 2.87Å; D63-D66 PolarHBondContact N-OD2 2.85Å; D63-D66 WeakPolarHBondContact O-CB 3.34Å; D63-D66 PolarHBondContact O-N 2.87Å; D63-R69 WeakPolarHBondContact O-CD 3.39Å
64E79.4Confident77.7Confident140 Ų14092.7 Ų92.765%0.65445%0.45SS*.THydrogen-bonded Turntrans-56.1-28.7-177.7-67.8-162.9157.900113R69E64-R69 IonicContact OE1-NH2 2.7Å
65K81Confident76.1Confident172 Ų17287.5 Ų87.575%0.74843%0.429SS*.THydrogen-bonded Turntrans-94.20.1-178.1-63.5-178.5-177.2175.80114.4D63 L70D63-K65 PolarHBondContact O-N 2.87Å; K65-L70 WeakPolarHBondContact O-CD1 3.14Å
66D79.3Confident75.5Confident60 Ų6089.5 Ų89.532%0.32144%0.439SS..  trans-66.6136.3178.9-83.6-38000111.3L62 D63 R68 R69 L70L62-D66 HydrophobicContact CB-CB 4.32Å; D63-D66 PolarHBondContact N-OD2 2.85Å; D63-D66 WeakPolarHBondContact O-CB 3.34Å; D63-D66 PolarHBondContact O-N 2.87Å; D66-R68 PolarHBondContact O-N 2.87Å; D66-R69 HydrophobicContact CB-CB 4.34Å; D66-R69 WeakPolarHBondContact O-CA 3.27Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.99Å; D66-L70 PolarHBondContact O-N 3.39Å
67P79Confident75.2Confident79 Ų7992 Ų9251%0.51346%0.459SS..Hα-helixtrans-61.8-29.3-17923.7-33.5000112.5R69 L70 F71 E72P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.34Å; P67-L70 PolarHBondContact O-N 3.31Å; P67-F71 PolarHBondContact O-N 3.37Å; P67-E72 PolarHBondContact O-N 2.94Å; P67-E72 VanDerWaalsContact O-N 3.14Å
68R74.7Confident74.9Confident177 Ų17785.7 Ų85.767%0.66844%0.437SS*.Iπ-helixtrans-65.3-33.2172.7-74.5-174.1174.7-176.20.9112.7L62 D66L62-R68 HydrophobicContact CD1-CB 3.92Å; D66-R68 PolarHBondContact O-N 2.87Å
69R74.5Confident74.8Confident50 Ų5081.9 Ų81.919%0.18942%0.419CS..Iπ-helixtrans-78.9-39.4176-169.8170.5169.8144.4-4.6111.4L59 L62 D63 E64 D66 P67L59-R69 PolarHBondContact O-NH1 2.93Å; L62-R69 PolarHBondContact O-NH1 3.49Å; D63-R69 WeakPolarHBondContact O-CD 3.39Å; E64-R69 IonicContact OE1-NH2 2.7Å; D66-R69 HydrophobicContact CB-CB 4.34Å; D66-R69 WeakPolarHBondContact O-CA 3.27Å; D66-R69 WeakPolarHBondContact O-CB 3.39Å; D66-R69 PolarHBondContact O-N 2.99Å; P67-R69 VanDerWaalsContact C-N 3.3Å; P67-R69 PolarHBondContact O-N 3.34Å
70L69.9Low74.9Confident84 Ų8489.2 Ų89.244%0.4445%0.446SS..Iπ-helixtrans-81.5-53.4-176.3-84.6150.6000115.1K65 D66 P67 N76K65-L70 WeakPolarHBondContact O-CD1 3.14Å; D66-L70 PolarHBondContact O-N 3.39Å; P67-L70 PolarHBondContact O-N 3.31Å; L70-N76 PolarHBondContact O-ND2 2.91Å
71F58.2Low75Confident191 Ų19194.4 Ų94.484%0.83846%0.462SS*.Iπ-helixtrans-122.1-32.9-157.2-116.5-93000115P67P67-F71 PolarHBondContact O-N 3.37Å
72E50.7Low75.2Confident161 Ų16188.9 Ų88.975%0.75243%0.428SS*.Iπ-helixtrans-107.1-9.3-159-99.7-171.5175.400119.8P67P67-E72 PolarHBondContact O-N 2.94Å; P67-E72 VanDerWaalsContact O-N 3.14Å
73G50.5Low75.4Confident48 Ų4887.2 Ų87.250%0.49542%0.42SS..SBendtrans-154.7-57.4-171.300000119.1
74E54.3Low75.8Confident75 Ų7586 Ų8635%0.3541%0.413SS..SBendtrans-144.9-11.2-156.9-58.9-175.7159.200115.1T55 L59 L78T55-E74 WeakPolarHBondContact CB-OE2 3.37Å; T55-E74 WeakPolarHBondContact CG2-OE1 3.44Å; T55-E74 VanDerWaalsContact CG2-OE2 3.24Å; T55-E74 WeakPolarHBondContact CG2-OE2 3.36Å; L59-E74 HydrophobicContact CD1-CB 3.62Å; L59-E74 VanDerWaalsContact CD1-O 3.29Å; L59-E74 WeakPolarHBondContact CD1-O 3.34Å; L59-E74 HydrophobicContact CD2-CB 4.04Å; L59-E74 HydrophobicContact CG-CB 4.11Å; E74-L78 WeakPolarHBondContact O-CB 3.43Å
75G59.7Low76.4Confident4 Ų480.6 Ų80.64%0.04139%0.389CS..SBendtrans-80.1-83.5178.800000112.8A77 L78 L79G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 2.93Å; G75-L78 PolarHBondContact O-N 3.09Å; G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.88Å
76N76.1Confident76.7Confident69 Ų6973.5 Ų73.537%0.36937%0.365SS..Hα-helixtrans-60-36.8-179-76.5-31.6000113.2L70 R80L70-N76 PolarHBondContact O-ND2 2.91Å; N76-R80 WeakPolarHBondContact O-CB 3.21Å; N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 2.97Å
77A83.3Confident77.3Confident53 Ų5371.5 Ų71.544%0.43835%0.354SS..Hα-helixtrans-67.3-40.1177.800000112.3G75 R81G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 2.93Å; A77-R81 VanDerWaalsContact O-CB 3.27Å; A77-R81 WeakPolarHBondContact O-CB 3.45Å; A77-R81 PolarHBondContact O-N 3.35Å
78L85.4Confident77.7Confident16 Ų1668.2 Ų68.28%0.08433%0.332CS..Hα-helixtrans-68.4-45.4175.5-179.267.7000110.8I52 E74 G75 R81 L82 V98I52-L78 HydrophobicContact CG1-CD1 4.12Å; I52-L78 HydrophobicContact CG2-CD1 4.09Å; I52-L78 HydrophobicContact CG2-CD2 4.2Å; I52-L78 HydrophobicContact CG2-CG 4.5Å; E74-L78 WeakPolarHBondContact O-CB 3.43Å; G75-L78 PolarHBondContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CB 3.41Å; L78-R81 PolarHBondContact O-N 3.39Å; L78-R81 VanDerWaalsContact O-N 3.17Å; L78-L82 HydrophobicContact CD1-CD1 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 3.47Å; L78-V98 HydrophobicContact CD2-CG1 4.45Å
79L86.5Confident78.3Confident8 Ų863.1 Ų63.14%0.04232%0.324CS..Hα-helixtrans-58.5-50.4177-71.1173.1000110.7G75 R81 L82 V83 L88 M93 L95 V98G75-L79 WeakPolarHBondContact O-CG 3.32Å; G75-L79 PolarHBondContact O-N 2.88Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; L79-L82 PolarHBondContact O-N 2.91Å; L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-L88 HydrophobicContact CD2-CD2 3.82Å; L79-M93 HydrophobicContact CB-CE 3.89Å; L79-M93 HydrophobicContact CB-CG 4Å; L79-M93 HydrophobicContact CD1-CG 4.25Å; L79-L95 HydrophobicContact CD1-CD2 4.41Å; L79-L95 HydrophobicContact CD2-CD2 4.49Å; L79-L95 HydrophobicContact CG-CD2 4.33Å; L79-V98 HydrophobicContact CD2-CG2 3.75Å
80R87.5Confident78.8Confident161 Ų16167.9 Ų67.961%0.60835%0.349SS*.Hα-helixtrans-57.7-42.2174.5-72.1178.7-152.7-1537.9112N76 V83 L84 M93N76-R80 WeakPolarHBondContact O-CB 3.21Å; N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 2.97Å; R80-V83 PolarHBondContact O-N 2.88Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.24Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.22Å; R80-M93 HydrophobicContact CG-CE 3.73Å
81R88.1Confident79.6Confident161 Ų16171.1 Ų71.161%0.60837%0.366SS*.Hα-helixtrans-64-41.4177.7-173-177.5-63170.62.2112A77 L78 L79 I85A77-R81 VanDerWaalsContact O-CB 3.27Å; A77-R81 WeakPolarHBondContact O-CB 3.45Å; A77-R81 PolarHBondContact O-N 3.35Å; L78-R81 WeakPolarHBondContact O-CB 3.41Å; L78-R81 PolarHBondContact O-N 3.39Å; L78-R81 VanDerWaalsContact O-N 3.17Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CB 3.45Å; R81-I85 WeakPolarHBondContact O-CD1 3.47Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.46Å
82L90.8Very high80.7Confident2 Ų268.9 Ų68.91%0.0135%0.352CS..Hα-helixtrans-68.7-39.1178.9-72.3172.6000112I52 L78 L79 I85 G86 V87 L88 V98 L101 F106I52-L82 HydrophobicContact CD1-CD2 4.29Å; I52-L82 HydrophobicContact CG2-CD1 4.27Å; L78-L82 HydrophobicContact CD1-CD1 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.44Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 HydrophobicContact CG-CG 4.45Å; L78-L82 WeakPolarHBondContact O-CB 3.19Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 3.47Å; L79-L82 PolarHBondContact O-N 2.91Å; L82-I85 PolarHBondContact O-N 3.01Å; L82-G86 PolarHBondContact O-N 2.68Å; L82-V87 HydrophobicContact CD2-CB 4.3Å; L82-V87 HydrophobicContact CD2-CG1 4.19Å; L82-V87 PolarHBondContact O-N 3.03Å; L82-L88 HydrophobicContact CB-CB 4.2Å; L82-V98 HydrophobicContact CD1-CG1 3.96Å; L82-V98 HydrophobicContact CD1-CG2 3.84Å; L82-L101 HydrophobicContact CD1-CD1 4.12Å; L82-L101 HydrophobicContact CD2-CD1 4.32Å; L82-F106 HydrophobicContact CD2-CE1 4.41Å; L82-F106 HydrophobicContact CD2-CZ 3.87Å
83V91.2Very high82.2Confident20 Ų2065 Ų6512%0.12134%0.335CS..Hα-helixtrans-63.7-50.1172.4173.20000110.2L79 R80 I85 G86 L88 E90 L152L79-V83 VanDerWaalsContact O-CG2 3.32Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.31Å; R80-V83 PolarHBondContact O-N 2.88Å; V83-I85 PolarHBondContact O-N 2.93Å; V83-G86 WeakPolarHBondContact O-CA 3.42Å; V83-G86 PolarHBondContact O-N 2.82Å; V83-L88 HydrophobicContact CG2-CB 4.45Å; V83-E90 HydrophobicContact CG1-CG 4.1Å; V83-L152 WeakPolarHBondContact O-CD1 3.45Å
84L91Very high83.8Confident75 Ų7568.8 Ų68.839%0.39334%0.338SS..Hα-helixtrans-58.6-35.4177.7-76171.9000113.3R80 G86 R151 L152R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.24Å; R80-L84 WeakPolarHBondContact O-CG 3.37Å; R80-L84 PolarHBondContact O-N 3.22Å; L84-G86 VanDerWaalsContact C-N 3.31Å; L84-R151 CarbonylContact O-C 3.57Å; L84-R151 WeakPolarHBondContact O-CA 3.47Å; L84-R151 WeakPolarHBondContact O-CB 3.34Å; L84-L152 PolarHBondContact O-N 2.81Å
85I91.9Very high85.2Confident26 Ų2665.9 Ų65.913%0.13333%0.325CS..Hα-helixtrans-70.6-30.6174.4-71.4167.9000110.9R81 L82 V83 V87 R109 I149 V150R81-I85 HydrophobicContact CG-CD1 4.06Å; R81-I85 WeakPolarHBondContact O-CB 3.45Å; R81-I85 WeakPolarHBondContact O-CD1 3.47Å; R81-I85 WeakPolarHBondContact O-CG1 3.49Å; R81-I85 PolarHBondContact O-N 3.46Å; L82-I85 PolarHBondContact O-N 3.01Å; V83-I85 PolarHBondContact O-N 2.93Å; I85-V87 HydrophobicContact CG2-CG2 3.75Å; I85-R109 HydrophobicContact CG2-CB 4.2Å; I85-R109 HydrophobicContact CG2-CG 4.2Å; I85-R109 VanDerWaalsContact O-CZ 3.3Å; I85-R109 PolarHBondContact O-NE 2.98Å; I85-R109 PolarHBondContact O-NH2 3.36Å; I85-I149 HydrophobicContact CB-CG2 4.39Å; I85-I149 HydrophobicContact CG1-CG2 4.19Å; I85-I149 HydrophobicContact CG2-CG2 3.43Å; I85-I149 VanDerWaalsContact CG2-CG2 3.43Å; I85-V150 VanDerWaalsContact O-O 3.12Å
86G89.1Confident86.6Confident24 Ų2470.3 Ų70.325%0.24735%0.347CS..THydrogen-bonded Turntrans88.322.4-175.200000113.8L82 V83 L84 R109L82-G86 PolarHBondContact O-N 2.68Å; V83-G86 WeakPolarHBondContact O-CA 3.42Å; V83-G86 PolarHBondContact O-N 2.82Å; L84-G86 VanDerWaalsContact C-N 3.31Å; G86-R109 WeakPolarHBondContact O-CD 3.49Å
87V90.4Very high87.2Confident17 Ų1772 Ų7210%0.10335%0.349CS..SBendtrans-82.1-29.1173.5164.70000111.1L82 I85 L101 D105 F106 R109L82-V87 HydrophobicContact CD2-CB 4.3Å; L82-V87 HydrophobicContact CD2-CG1 4.19Å; L82-V87 PolarHBondContact O-N 3.03Å; I85-V87 HydrophobicContact CG2-CG2 3.75Å; V87-L101 HydrophobicContact CG1-CD1 3.75Å; V87-L101 HydrophobicContact CG1-CD2 3.51Å; V87-L101 HydrophobicContact CG1-CG 4.21Å; V87-D105 HydrophobicContact CG1-CB 3.97Å; V87-F106 HydrophobicContact CG1-CD2 4.43Å; V87-F106 HydrophobicContact CG1-CE2 3.97Å; V87-F106 HydrophobicContact CG1-CZ 4.18Å; V87-F106 HydrophobicContact CG2-CD1 4.08Å; V87-F106 HydrophobicContact CG2-CD2 4.36Å; V87-F106 HydrophobicContact CG2-CE1 4.11Å; V87-F106 HydrophobicContact CG2-CE2 4.37Å; V87-F106 HydrophobicContact CG2-CG 4.21Å; V87-F106 HydrophobicContact CG2-CZ 4.24Å; V87-R109 HydrophobicContact CG2-CG 4.14Å
88L88.3Confident87.4Confident10 Ų1069.5 Ų69.55%0.05233%0.328CS..SBendtrans-122.5133.8-179.4-167.665.8000109.1L79 L82 V83 R92L79-L88 HydrophobicContact CD2-CD2 3.82Å; L82-L88 HydrophobicContact CB-CB 4.2Å; V83-L88 HydrophobicContact CG2-CB 4.45Å; L88-R92 HydrophobicContact CD1-CB 3.66Å; L88-R92 WeakPolarHBondContact CD1-O 3.4Å; L88-R92 VanDerWaalsContact CD2-O 3.32Å; L88-R92 WeakPolarHBondContact CD2-O 3.43Å; L88-R92 HydrophobicContact CG-CB 4.17Å
89S86.3Confident87.7Confident70 Ų7071 Ų7149%0.4934%0.336SS..  trans-73.1155.2171.3-540000111.1D91 R92S89-D91 VanDerWaalsContact C-N 3.25Å; S89-D91 PolarHBondContact O-N 2.93Å; S89-R92 PolarHBondContact O-N 3.42Å
90E85Confident87.9Confident151 Ų15173.4 Ų73.471%0.70636%0.363SS*.G310 helixtrans-58.4-37-179.9-65.3-179.5-179.400112.3V83 R92 M93V83-E90 HydrophobicContact CG1-CG 4.1Å; E90-R92 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact O-N 3.16Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 2.89Å
91D86.5Confident88.1Confident152 Ų15266.1 Ų66.181%0.81334%0.336SS*.G310 helixtrans-64.2-22.6178.3-47.3-40.9000113.7S89S89-D91 VanDerWaalsContact C-N 3.25Å; S89-D91 PolarHBondContact O-N 2.93Å
92R82.6Confident88.4Confident143 Ų14365 Ų6554%0.5433%0.332SS..G310 helixtrans-104.525.8-174.4-62.4-173.3-172.1-171.61.6112.2L88 S89 E90 K94 Y97L88-R92 HydrophobicContact CD1-CB 3.66Å; L88-R92 WeakPolarHBondContact CD1-O 3.4Å; L88-R92 VanDerWaalsContact CD2-O 3.32Å; L88-R92 WeakPolarHBondContact CD2-O 3.43Å; L88-R92 HydrophobicContact CG-CB 4.17Å; S89-R92 PolarHBondContact O-N 3.42Å; E90-R92 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact O-N 3.16Å; R92-K94 PolarHBondContact O-N 3.41Å; R92-Y97 HydrophobicContact CB-CD1 4.38Å; R92-Y97 HydrophobicContact CB-CD2 3.72Å; R92-Y97 HydrophobicContact CB-CE2 4.11Å; R92-Y97 HydrophobicContact CB-CG 3.87Å; R92-Y97 HydrophobicContact CG-CD1 4.4Å; R92-Y97 HydrophobicContact CG-CD2 4.34Å; R92-Y97 HydrophobicContact CG-CE1 4.41Å; R92-Y97 HydrophobicContact CG-CE2 4.34Å; R92-Y97 HydrophobicContact CG-CG 4.37Å; R92-Y97 WeakPolarHBondContact O-CD2 3.5Å
93M82.2Confident88.5Confident79 Ų7966 Ų6639%0.38934%0.338SS..  trans-73.553.8-177.5-158.6173.8-173.200113.4L79 R80 E90L79-M93 HydrophobicContact CB-CE 3.89Å; L79-M93 HydrophobicContact CB-CG 4Å; L79-M93 HydrophobicContact CD1-CG 4.25Å; R80-M93 HydrophobicContact CG-CE 3.73Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 2.89Å
94K84.4Confident88.6Confident128 Ų12868 Ų6856%0.55735%0.346SS*.SBendtrans-126.4151.5173.2-58.4-176.8178.7-179.20110.2R92 D96 Y97R92-K94 PolarHBondContact O-N 3.41Å; K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.05Å; K94-Y97 HydrophobicContact CB-CD2 3.84Å; K94-Y97 HydrophobicContact CB-CE2 4.14Å; K94-Y97 HydrophobicContact CD-CE2 4.21Å; K94-Y97 HydrophobicContact CG-CD2 4.46Å; K94-Y97 HydrophobicContact CG-CE2 4.33Å; K94-Y97 PolarHBondContact O-N 3.39Å
95L83.8Confident88.7Confident14 Ų1466.7 Ų66.77%0.07334%0.34CS..Hα-helixtrans-63.6-30-179-72.1174000113L59 L60 L79 Y97 V98L59-L95 HydrophobicContact CB-CD1 3.79Å; L59-L95 HydrophobicContact CD1-CD1 4.35Å; L59-L95 HydrophobicContact CD1-CD2 4.05Å; L60-L95 HydrophobicContact CD1-CB 4.48Å; L60-L95 HydrophobicContact CD2-CB 3.81Å; L60-L95 HydrophobicContact CD2-CD1 4.32Å; L60-L95 HydrophobicContact CG-CB 4.08Å; L60-L95 HydrophobicContact CG-CD1 4.48Å; L79-L95 HydrophobicContact CD1-CD2 4.41Å; L79-L95 HydrophobicContact CD2-CD2 4.49Å; L79-L95 HydrophobicContact CG-CD2 4.33Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.94Å; L95-V98 VanDerWaalsContact O-CB 3.25Å; L95-V98 WeakPolarHBondContact O-CB 3.38Å; L95-V98 PolarHBondContact O-N 3.3Å
96D87.4Confident88.8Confident97 Ų9766 Ų6652%0.51934%0.336SS..Hα-helixtrans-61.2-39.2180-53.2-46.8000111.9L60 K94 V98 L99L60-D96 WeakPolarHBondContact CD2-OD1 3.49Å; K94-D96 VanDerWaalsContact C-N 3.25Å; K94-D96 PolarHBondContact O-N 3.05Å; D96-V98 PolarHBondContact O-N 3.3Å; D96-L99 WeakPolarHBondContact O-CB 3.29Å; D96-L99 PolarHBondContact O-N 2.96Å; D96-L99 VanDerWaalsContact O-N 3.15Å
97Y89.4Confident89.1Confident105 Ų10564.9 Ų64.941%0.41232%0.324SS..Hα-helixtrans-67.3-25.1177.2-65-66.9000112.8R92 K94 L95 L99 G100R92-Y97 HydrophobicContact CB-CD1 4.38Å; R92-Y97 HydrophobicContact CB-CD2 3.72Å; R92-Y97 HydrophobicContact CB-CE2 4.11Å; R92-Y97 HydrophobicContact CB-CG 3.87Å; R92-Y97 HydrophobicContact CG-CD1 4.4Å; R92-Y97 HydrophobicContact CG-CD2 4.34Å; R92-Y97 HydrophobicContact CG-CE1 4.41Å; R92-Y97 HydrophobicContact CG-CE2 4.34Å; R92-Y97 HydrophobicContact CG-CG 4.37Å; R92-Y97 WeakPolarHBondContact O-CD2 3.5Å; K94-Y97 HydrophobicContact CB-CD2 3.84Å; K94-Y97 HydrophobicContact CB-CE2 4.14Å; K94-Y97 HydrophobicContact CD-CE2 4.21Å; K94-Y97 HydrophobicContact CG-CD2 4.46Å; K94-Y97 HydrophobicContact CG-CE2 4.33Å; K94-Y97 PolarHBondContact O-N 3.39Å; L95-Y97 VanDerWaalsContact C-N 3.29Å; L95-Y97 PolarHBondContact O-N 2.94Å; Y97-L99 PolarHBondContact O-N 3.13Å; Y97-G100 PolarHBondContact O-N 3.39Å; Y97-G100 VanDerWaalsContact O-N 3.11Å
98V88.2Confident89.2Confident0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-65.3-31.6175.8-176.10000111I52 A56 L78 L79 L82 L95 D96 G100 L101I52-V98 HydrophobicContact CG2-CG1 3.49Å; I52-V98 VanDerWaalsContact CG2-CG1 3.49Å; A56-V98 HydrophobicContact CB-CB 4.17Å; A56-V98 HydrophobicContact CB-CG1 3.91Å; L78-V98 HydrophobicContact CD2-CG1 4.45Å; L79-V98 HydrophobicContact CD2-CG2 3.75Å; L82-V98 HydrophobicContact CD1-CG1 3.96Å; L82-V98 HydrophobicContact CD1-CG2 3.84Å; L95-V98 VanDerWaalsContact O-CB 3.25Å; L95-V98 WeakPolarHBondContact O-CB 3.38Å; L95-V98 PolarHBondContact O-N 3.3Å; D96-V98 PolarHBondContact O-N 3.3Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 2.87Å; V98-L101 HydrophobicContact CB-CD1 4.48Å; V98-L101 HydrophobicContact CG1-CD1 4Å; V98-L101 WeakPolarHBondContact O-CG 3.19Å; V98-L101 PolarHBondContact O-N 3.49Å
99L90.2Very high89.5Confident48 Ų4864.9 Ų64.925%0.25132%0.324SS..Hα-helixtrans-69.4-26.5175-60-178.9000112.5R53 A56 R57 L60 D96 Y97 L101R53-L99 PolarHBondContact NE-O 3.02Å; R53-L99 PolarHBondContact NH1-O 3.21Å; R53-L99 PolarHBondContact NH2-O 3.43Å; A56-L99 HydrophobicContact CB-CD2 4.02Å; R57-L99 HydrophobicContact CG-CD2 3.75Å; L60-L99 HydrophobicContact CD1-CD1 3.62Å; L60-L99 HydrophobicContact CD1-CG 4.21Å; D96-L99 WeakPolarHBondContact O-CB 3.29Å; D96-L99 PolarHBondContact O-N 2.96Å; D96-L99 VanDerWaalsContact O-N 3.15Å; Y97-L99 PolarHBondContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.34Å
100G91.2Very high89.9Confident58 Ų5862.1 Ų62.160%0.59830%0.302SS*.THydrogen-bonded Turntrans-81.8-4.8177.800000115Y97 V98 R102Y97-G100 PolarHBondContact O-N 3.39Å; Y97-G100 VanDerWaalsContact O-N 3.11Å; V98-G100 VanDerWaalsContact C-N 3.27Å; V98-G100 PolarHBondContact O-N 2.87Å; G100-R102 PolarHBondContact O-N 3.48Å
101L92Very high90.4Very high9 Ų955 Ų555%0.04727%0.269CS..  trans-64.1134.9-177.5-66.7177.5000112.3L49 L82 V87 V98 L99 F106L49-L101 HydrophobicContact CD1-CB 3.69Å; L82-L101 HydrophobicContact CD1-CD1 4.12Å; L82-L101 HydrophobicContact CD2-CD1 4.32Å; V87-L101 HydrophobicContact CG1-CD1 3.75Å; V87-L101 HydrophobicContact CG1-CD2 3.51Å; V87-L101 HydrophobicContact CG1-CG 4.21Å; V98-L101 HydrophobicContact CB-CD1 4.48Å; V98-L101 HydrophobicContact CG1-CD1 4Å; V98-L101 WeakPolarHBondContact O-CG 3.19Å; V98-L101 PolarHBondContact O-N 3.49Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L101-F106 HydrophobicContact CD1-CE2 4.3Å
102R93.7Very high90.9Very high137 Ų13747.7 Ų47.752%0.51723%0.23SC..  trans-101.5163.9177.2-62.1-174-64.4145.48.2110.4G100 E104 D105G100-R102 PolarHBondContact O-N 3.48Å; R102-E104 IonicContact CZ-OE2 2.78Å; R102-E104 IonicContact NH1-OE1 3.02Å; R102-E104 IonicContact NH1-OE2 2.7Å; R102-E104 PolarHBondContact NH1-OE2 2.81Å; R102-E104 IonicContact NH2-OE2 3.64Å; R102-E104 PolarHBondContact NH2-OE2 2.9Å; R102-E104 VanDerWaalsContact NH2-OE2 3.1Å; R102-E104 PolarHBondContact O-N 3.44Å; R102-D105 PolarHBondContact N-OD2 2.92Å; R102-D105 PolarHBondContact O-N 3.12Å
103V93.6Very high91.5Very high24 Ų2441.4 Ų41.415%0.14521%0.207CC..Hα-helixtrans-65.2-33.2177.61800000111L30 V45 K46 L49 D105 F106 L107L30-V103 HydrophobicContact CD1-CB 4.48Å; L30-V103 HydrophobicContact CD1-CG1 4.2Å; V45-V103 HydrophobicContact CB-CG1 4.27Å; V45-V103 HydrophobicContact CG1-CG1 3.81Å; K46-V103 HydrophobicContact CG-CG2 3.87Å; L49-V103 HydrophobicContact CD2-CG2 3.88Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.44Å; V103-F106 PolarHBondContact O-N 3.39Å; V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.11Å
104E94Very high92.1Very high62 Ų6237.8 Ų37.829%0.2919%0.19SC..Hα-helixtrans-55.3-40176.3-71.5160.7-142.300112.4L30 Y34 R102 F106 L107 G108L30-E104 HydrophobicContact CD2-CG 3.91Å; Y34-E104 HydrophobicContact CE2-CG 4.34Å; R102-E104 IonicContact CZ-OE2 2.78Å; R102-E104 IonicContact NH1-OE1 3.02Å; R102-E104 IonicContact NH1-OE2 2.7Å; R102-E104 PolarHBondContact NH1-OE2 2.81Å; R102-E104 IonicContact NH2-OE2 3.64Å; R102-E104 PolarHBondContact NH2-OE2 2.9Å; R102-E104 VanDerWaalsContact NH2-OE2 3.1Å; R102-E104 PolarHBondContact O-N 3.44Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-L107 VanDerWaalsContact O-N 3.15Å; E104-G108 PolarHBondContact O-N 2.95Å
105D93.2Very high92.6Very high47 Ų4731.7 Ų31.725%0.25116%0.163SC..Hα-helixtrans-61.9-38.2-177.2-52.1-36.2000111.2V87 R102 V103 R109V87-D105 HydrophobicContact CG1-CB 3.97Å; R102-D105 PolarHBondContact N-OD2 2.92Å; R102-D105 PolarHBondContact O-N 3.12Å; V103-D105 VanDerWaalsContact C-N 3.28Å; V103-D105 PolarHBondContact O-N 3.44Å; D105-R109 WeakPolarHBondContact O-CG 3.38Å
106F93.6Very high93.2Very high11 Ų1134.9 Ų34.95%0.04818%0.176CC..Hα-helixtrans-76.2-39.1175.3-77.4-89.9000112.8V45 L49 I52 L82 V87 L101 V103 E104 G108 R109V45-F106 HydrophobicContact CG1-CB 3.46Å; V45-F106 VanDerWaalsContact CG1-CB 3.46Å; V45-F106 HydrophobicContact CG1-CG 4.13Å; L49-F106 HydrophobicContact CD1-CD2 4.31Å; L49-F106 HydrophobicContact CD1-CE2 3.74Å; I52-F106 HydrophobicContact CD1-CE1 3.93Å; I52-F106 HydrophobicContact CD1-CZ 3.52Å; L82-F106 HydrophobicContact CD2-CE1 4.41Å; L82-F106 HydrophobicContact CD2-CZ 3.87Å; V87-F106 HydrophobicContact CG1-CD2 4.43Å; V87-F106 HydrophobicContact CG1-CE2 3.97Å; V87-F106 HydrophobicContact CG1-CZ 4.18Å; V87-F106 HydrophobicContact CG2-CD1 4.08Å; V87-F106 HydrophobicContact CG2-CD2 4.36Å; V87-F106 HydrophobicContact CG2-CE1 4.11Å; V87-F106 HydrophobicContact CG2-CE2 4.37Å; V87-F106 HydrophobicContact CG2-CG 4.21Å; V87-F106 HydrophobicContact CG2-CZ 4.24Å; L101-F106 HydrophobicContact CD1-CE2 4.3Å; V103-F106 PolarHBondContact O-N 3.39Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 2.92Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.21Å; F106-R109 PolarHBondContact O-N 3.15Å
107L94.6Very high93.5Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-66.4-35.4178.5-69.7177.4000111.3L30 Y34 L36 V45 V103 E104 R109 R110 T113L30-L107 HydrophobicContact CB-CD1 4.43Å; L30-L107 HydrophobicContact CD2-CD1 4.17Å; Y34-L107 HydrophobicContact CD1-CB 3.51Å; Y34-L107 HydrophobicContact CD2-CB 4Å; Y34-L107 HydrophobicContact CD2-CD1 3.7Å; Y34-L107 HydrophobicContact CD2-CG 4.48Å; Y34-L107 HydrophobicContact CE1-CB 3.58Å; Y34-L107 HydrophobicContact CE2-CB 4.08Å; Y34-L107 HydrophobicContact CE2-CD1 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.73Å; Y34-L107 HydrophobicContact CG-CD1 4.03Å; Y34-L107 HydrophobicContact CG-CG 4.41Å; L36-L107 HydrophobicContact CD1-CD1 4.31Å; L36-L107 HydrophobicContact CD1-CD2 4.15Å; L36-L107 HydrophobicContact CD2-CD2 4.19Å; V45-L107 HydrophobicContact CG2-CD2 3.91Å; V103-L107 HydrophobicContact CG1-CD1 3.91Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.9Å; V103-L107 VanDerWaalsContact O-N 3.11Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-L107 VanDerWaalsContact O-N 3.15Å; L107-R109 PolarHBondContact O-N 3.37Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.31Å; L107-T113 PolarHBondContact O-OG1 3.45Å
108G93.3Very high93.7Very high7 Ų735.5 Ų35.57%0.07218%0.177CC..Hα-helixtrans-61.4-24.7174.800000114.5E104 F106 Q114E104-G108 PolarHBondContact O-N 2.95Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.21Å; G108-Q114 PolarHBondContact O-NE2 3.44Å
109R94.6Very high93.9Very high21 Ų2139.5 Ų39.58%0.07921%0.21CC..THydrogen-bonded Turntrans-93.50.5179.3-61.1-55.1-58.4176.41.8114.2I85 G86 V87 D105 F106 L107 I149 V150 E155I85-R109 HydrophobicContact CG2-CB 4.2Å; I85-R109 HydrophobicContact CG2-CG 4.2Å; I85-R109 VanDerWaalsContact O-CZ 3.3Å; I85-R109 PolarHBondContact O-NE 2.98Å; I85-R109 PolarHBondContact O-NH2 3.36Å; G86-R109 WeakPolarHBondContact O-CD 3.49Å; V87-R109 HydrophobicContact CG2-CG 4.14Å; D105-R109 WeakPolarHBondContact O-CG 3.38Å; F106-R109 PolarHBondContact O-N 3.15Å; L107-R109 PolarHBondContact O-N 3.37Å; R109-I149 HydrophobicContact CB-CG2 4.25Å; R109-V150 PolarHBondContact NE-O 2.82Å; R109-V150 PolarHBondContact NH2-O 3.05Å; R109-V150 PolarHBondContact O-N 2.85Å; R109-E155 IonicContact CZ-OE2 3.76Å; R109-E155 IonicContact NH1-OE1 3.95Å; R109-E155 PolarHBondContact NH1-OE1 2.94Å; R109-E155 IonicContact NH1-OE2 3.1Å; R109-E155 PolarHBondContact NH1-OE2 2.9Å; R109-E155 IonicContact NH2-OE2 3.77Å; R109-E155 PolarHBondContact NH2-OE2 3.2Å
110R95.1Very high94Very high12 Ų1238.9 Ų38.95%0.04521%0.207CC..BIsolated β-bridgetrans-68.6143.6174.6-69.9178.859.7146.3-4.4110.9E41 L107 Q112 T113 Q114 F148E41-R110 IonicContact OE2-CZ 3.1Å; E41-R110 IonicContact OE2-NH1 3.55Å; E41-R110 PolarHBondContact OE2-NH1 2.96Å; E41-R110 IonicContact OE2-NH2 2.77Å; E41-R110 PolarHBondContact OE2-NH2 3.49Å; L107-R110 WeakPolarHBondContact O-CB 3.3Å; L107-R110 PolarHBondContact O-N 3.31Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-Q112 VanDerWaalsContact O-N 3.17Å; R110-T113 PolarHBondContact O-N 2.97Å; R110-Q114 WeakPolarHBondContact O-CG 3.26Å; R110-Q114 PolarHBondContact O-N 3.47Å; R110-F148 CarbonylContact C-O 3.5Å
111L95.4Very high94.1Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-53.6-40.3178.4-177.562.8000111.7T113 Q114 V115 I131 I136 V138 V143 F148 V150 I158L111-T113 PolarHBondContact O-N 2.88Å; L111-Q114 PolarHBondContact O-N 3.04Å; L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.43Å; L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.05Å; L111-I131 HydrophobicContact CD2-CG1 4.31Å; L111-I131 HydrophobicContact CD2-CG2 4.31Å; L111-I131 HydrophobicContact CG-CD1 3.81Å; L111-I131 HydrophobicContact CG-CG1 4.45Å; L111-I136 HydrophobicContact CD1-CG2 4.4Å; L111-V138 HydrophobicContact CD1-CG2 3.62Å; L111-V138 HydrophobicContact CD2-CG2 4.19Å; L111-V143 HydrophobicContact CD2-CB 3.81Å; L111-V143 HydrophobicContact CD2-CG1 3.58Å; L111-F148 HydrophobicContact CB-CB 4.13Å; L111-F148 HydrophobicContact CB-CD1 4.29Å; L111-F148 WeakPolarHBondContact CB-O 3.37Å; L111-F148 HydrophobicContact CD2-CB 4.33Å; L111-F148 HydrophobicContact CD2-CD1 4.34Å; L111-F148 PolarHBondContact N-O 2.86Å; L111-V150 HydrophobicContact CB-CG2 3.93Å; L111-V150 HydrophobicContact CD1-CG2 3.7Å; L111-V150 HydrophobicContact CG-CG2 4.44Å; L111-I158 HydrophobicContact CD1-CD1 4.12Å; L111-I158 HydrophobicContact CD1-CG1 4.3Å; L111-I158 HydrophobicContact CD1-CG2 4.29Å
112Q95.7Very high94.2Very high0 Ų047.4 Ų47.40%022%0.222CC..Hα-helixtrans-54.7-48.4175.3-176178.5-14.200112.9Y34 G35 R110 F116 I124 A127 R128 I131 P146Y34-Q112 PolarHBondContact O-NE2 3.05Å; G35-Q112 PolarHBondContact O-NE2 3.42Å; R110-Q112 PolarHBondContact O-N 3.36Å; R110-Q112 VanDerWaalsContact O-N 3.17Å; Q112-F116 PolarHBondContact O-N 3.26Å; Q112-I124 HydrophobicContact CG-CG2 4.07Å; Q112-I124 PolarHBondContact NE2-O 2.94Å; Q112-A127 HydrophobicContact CG-CB 4.31Å; Q112-A127 WeakPolarHBondContact O-CB 3.3Å; Q112-R128 HydrophobicContact CG-CB 4.26Å; Q112-I131 HydrophobicContact CB-CD1 4.17Å; Q112-P146 HydrophobicContact CB-CB 4.19Å
113T95.9Very high94.2Very high10 Ų1043.1 Ų43.16%0.06121%0.213CC..Hα-helixtrans-73.8-37.1-178.9-51.40000111.3Y34 L107 R110 L111 F116 K117Y34-T113 HydrophobicContact CD1-CG2 4.02Å; Y34-T113 HydrophobicContact CE1-CG2 4.08Å; L107-T113 PolarHBondContact O-OG1 3.45Å; R110-T113 PolarHBondContact O-N 2.97Å; L111-T113 PolarHBondContact O-N 2.88Å; T113-F116 PolarHBondContact O-N 2.98Å; T113-K117 HydrophobicContact CG2-CD 4.45Å; T113-K117 WeakPolarHBondContact O-CB 3.45Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.7Å
114Q94.8Very high94.3Very high4 Ų443.1 Ų43.12%0.01921%0.212CC..Hα-helixtrans-64.4-40.5176.6-69-65.8-20.700112.3G108 R110 L111 F116 K117 K118 V150 E155 I158G108-Q114 PolarHBondContact O-NE2 3.44Å; R110-Q114 WeakPolarHBondContact O-CG 3.26Å; R110-Q114 PolarHBondContact O-N 3.47Å; L111-Q114 PolarHBondContact O-N 3.04Å; Q114-F116 VanDerWaalsContact C-N 3.33Å; Q114-F116 PolarHBondContact O-N 3.32Å; Q114-K117 PolarHBondContact O-N 3.41Å; Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.91Å; Q114-V150 HydrophobicContact CB-CG2 4.35Å; Q114-V150 HydrophobicContact CG-CB 4.22Å; Q114-V150 HydrophobicContact CG-CG2 4.19Å; Q114-E155 PolarHBondContact OE1-OE1 3.07Å; Q114-I158 HydrophobicContact CB-CD1 3.84Å
115V95.3Very high94.4Very high0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-63-39.8174.41670000111.3L111 L120 A121 A127 I131 I136 I158L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.17Å; L111-V115 WeakPolarHBondContact O-CB 3.44Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.43Å; V115-L120 HydrophobicContact CG1-CB 3.91Å; V115-L120 HydrophobicContact CG1-CD1 4.41Å; V115-L120 PolarHBondContact O-N 3.34Å; V115-A121 HydrophobicContact CG1-CB 4.21Å; V115-A127 HydrophobicContact CB-CB 4.19Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; V115-I131 HydrophobicContact CG2-CD1 4.36Å; V115-I136 HydrophobicContact CB-CD1 4.3Å; V115-I136 HydrophobicContact CG1-CD1 3.52Å; V115-I136 HydrophobicContact CG1-CG1 4.47Å; V115-I136 HydrophobicContact CG2-CD1 3.81Å; V115-I136 HydrophobicContact CG2-CG1 4.4Å; V115-I136 HydrophobicContact CG2-CG2 3.94Å; V115-I158 HydrophobicContact CG2-CG2 3.88Å
116F95.2Very high94.5Very high80 Ų8046 Ų4635%0.35122%0.224SC..Hα-helixtrans-68.4-45.2175.3179.2-111.2000112Q112 T113 Q114 K118 A119 I124 A127Q112-F116 PolarHBondContact O-N 3.26Å; T113-F116 PolarHBondContact O-N 2.98Å; Q114-F116 VanDerWaalsContact C-N 3.33Å; Q114-F116 PolarHBondContact O-N 3.32Å; F116-K118 PolarHBondContact O-N 3.47Å; F116-A119 PolarHBondContact O-N 2.7Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 4.1Å; F116-I124 HydrophobicContact CD1-CG1 3.41Å; F116-I124 VanDerWaalsContact CD1-CG1 3.41Å; F116-I124 HydrophobicContact CD2-CG1 3.98Å; F116-I124 HydrophobicContact CE1-CD1 4.05Å; F116-I124 HydrophobicContact CE1-CG1 3.76Å; F116-I124 HydrophobicContact CE2-CG1 4.29Å; F116-I124 HydrophobicContact CG-CG1 3.53Å; F116-I124 HydrophobicContact CZ-CG1 4.19Å; F116-A127 HydrophobicContact CB-CB 4.48Å
117K94.4Very high94.6Very high141 Ų14145.5 Ų45.561%0.61322%0.221SC*.Hα-helixtrans-59.7-33.3175.8-76-177.5175.7-173.20112.9T113 Q114 A119T113-K117 HydrophobicContact CG2-CD 4.45Å; T113-K117 WeakPolarHBondContact O-CB 3.45Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.7Å; Q114-K117 PolarHBondContact O-N 3.41Å; K117-A119 PolarHBondContact O-N 3.04Å
118K93.3Very high94.7Very high74 Ų7447.4 Ų47.432%0.32223%0.229SC..THydrogen-bonded Turntrans-80.36.9174.4-76.9-172.6146.9-157.60114.8Q114 F116 L120 E155 K156 I158Q114-K118 WeakPolarHBondContact O-CB 3.34Å; Q114-K118 WeakPolarHBondContact O-CG 3.46Å; Q114-K118 PolarHBondContact O-N 2.91Å; F116-K118 PolarHBondContact O-N 3.47Å; K118-L120 HydrophobicContact CB-CD1 4.49Å; K118-L120 HydrophobicContact CB-CG 4.28Å; K118-L120 PolarHBondContact O-N 3.03Å; K118-E155 WeakPolarHBondContact CE-O 3.3Å; K118-E155 PolarHBondContact NZ-O 2.96Å; K118-K156 PolarHBondContact NZ-O 3.3Å; K118-I158 HydrophobicContact CD-CB 3.99Å; K118-I158 HydrophobicContact CD-CD1 4.32Å; K118-I158 HydrophobicContact CD-CG2 4.44Å; K118-I158 PolarHBondContact NZ-O 3.13Å
119A92.8Very high94.7Very high85 Ų8550.2 Ų50.270%0.70224%0.244SC*.THydrogen-bonded Turntrans5720-179.300000115.5F116 K117 A121F116-A119 PolarHBondContact O-N 2.7Å; K117-A119 PolarHBondContact O-N 3.04Å; A119-A121 PolarHBondContact O-N 2.82Å
120L92.2Very high94.7Very high34 Ų3449.4 Ų49.418%0.17824%0.241CC..SBendtrans-70.8-22.5173.6-65.6174.1000111.6V115 K118 M130 I158 F160V115-L120 HydrophobicContact CG1-CB 3.91Å; V115-L120 HydrophobicContact CG1-CD1 4.41Å; V115-L120 PolarHBondContact O-N 3.34Å; K118-L120 HydrophobicContact CB-CD1 4.49Å; K118-L120 HydrophobicContact CB-CG 4.28Å; K118-L120 PolarHBondContact O-N 3.03Å; L120-M130 WeakPolarHBondContact O-CE 3.35Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; L120-F160 HydrophobicContact CB-CZ 4.44Å; L120-F160 HydrophobicContact CD2-CD2 4.18Å; L120-F160 HydrophobicContact CD2-CE2 3.81Å; L120-F160 HydrophobicContact CD2-CZ 4.32Å
121A93.2Very high94.8Very high8 Ų848.8 Ų48.87%0.06624%0.239CC..SBendtrans-124.5141.6-178.900000111.8V115 A119 S123 H126 A127 M130V115-A121 HydrophobicContact CG1-CB 4.21Å; A119-A121 PolarHBondContact O-N 2.82Å; A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.14Å; A121-H126 HydrophobicContact CB-CB 4.41Å; A121-A127 HydrophobicContact CB-CB 3.61Å; A121-M130 HydrophobicContact CB-CE 3.12Å
122R93.6Very high94.7Very high238 Ų23853.4 Ų53.490%0.89826%0.263SS*.SBendtrans-65.1-27.2172.7-63.2-175178.4-175.2-2.1114.6H126R122-H126 PolarHBondContact N-ND1 3.42Å
123S95.3Very high94.6Very high48 Ų4858.7 Ų58.734%0.33629%0.288SS..SBendtrans-149.2157.4-176.5173.60000109.7A121 H125 H126 A127A121-S123 VanDerWaalsContact C-N 3.29Å; A121-S123 PolarHBondContact O-N 3.14Å; S123-H125 PolarHBondContact O-N 2.93Å; S123-H125 PolarHBondContact OG-N 3.38Å; S123-H126 CarbonylContact O-C 3.57Å; S123-H126 WeakPolarHBondContact O-CA 3.49Å; S123-H126 WeakPolarHBondContact O-CB 3.3Å; S123-H126 PolarHBondContact O-N 3.44Å; S123-A127 PolarHBondContact O-N 3.25Å
124I94.7Very high94.4Very high24 Ų2465.6 Ų65.612%0.12331%0.313CS..Hα-helixtrans-61.9-33.1175.8-59.9150.3000111.5E33 Y34 Q112 F116 A127 R128E33-I124 WeakPolarHBondContact O-CD1 3.32Å; Y34-I124 VanDerWaalsContact O-CG2 3.27Å; Y34-I124 WeakPolarHBondContact O-CG2 3.24Å; Q112-I124 HydrophobicContact CG-CG2 4.07Å; Q112-I124 PolarHBondContact NE2-O 2.94Å; F116-I124 HydrophobicContact CB-CG1 4.06Å; F116-I124 HydrophobicContact CD1-CD1 4.1Å; F116-I124 HydrophobicContact CD1-CG1 3.41Å; F116-I124 VanDerWaalsContact CD1-CG1 3.41Å; F116-I124 HydrophobicContact CD2-CG1 3.98Å; F116-I124 HydrophobicContact CE1-CD1 4.05Å; F116-I124 HydrophobicContact CE1-CG1 3.76Å; F116-I124 HydrophobicContact CE2-CG1 4.29Å; F116-I124 HydrophobicContact CG-CG1 3.53Å; F116-I124 HydrophobicContact CZ-CG1 4.19Å; I124-A127 WeakPolarHBondContact O-CB 3.49Å; I124-A127 PolarHBondContact O-N 3.18Å; I124-R128 PolarHBondContact O-N 3.44Å
125H95.6Very high94.3Very high104 Ų10466.5 Ų66.548%0.48132%0.317SS..Hα-helixtrans-70.9-38.9173.7-62.793.1000111.2S123 A127 R128 V129S123-H125 PolarHBondContact O-N 2.93Å; S123-H125 PolarHBondContact OG-N 3.38Å; H125-A127 VanDerWaalsContact C-N 3.35Å; H125-R128 WeakPolarHBondContact O-CB 3.33Å; H125-R128 PolarHBondContact O-N 3.07Å; H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.29Å; H125-V129 VanDerWaalsContact O-N 3.14Å
126H95.9Very high94.3Very high65 Ų6566.5 Ų66.530%0.30132%0.317SS..Hα-helixtrans-63.2-41.2173.7-177.6-162.5000111.1A121 R122 S123 R128 V129 M130A121-H126 HydrophobicContact CB-CB 4.41Å; R122-H126 PolarHBondContact N-ND1 3.42Å; S123-H126 CarbonylContact O-C 3.57Å; S123-H126 WeakPolarHBondContact O-CA 3.49Å; S123-H126 WeakPolarHBondContact O-CB 3.3Å; S123-H126 PolarHBondContact O-N 3.44Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.93Å; H126-V129 PolarHBondContact O-N 3.49Å; H126-M130 PolarHBondContact O-N 2.91Å
127A95.9Very high94.3Very high0 Ų065.6 Ų65.60%031%0.311CS..Hα-helixtrans-56.6-43.9173.600000111.6Q112 V115 F116 A121 S123 I124 H125 V129 M130 I131Q112-A127 HydrophobicContact CG-CB 4.31Å; Q112-A127 WeakPolarHBondContact O-CB 3.3Å; V115-A127 HydrophobicContact CB-CB 4.19Å; V115-A127 HydrophobicContact CG1-CB 3.76Å; F116-A127 HydrophobicContact CB-CB 4.48Å; A121-A127 HydrophobicContact CB-CB 3.61Å; S123-A127 PolarHBondContact O-N 3.25Å; I124-A127 WeakPolarHBondContact O-CB 3.49Å; I124-A127 PolarHBondContact O-N 3.18Å; H125-A127 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 2.93Å; A127-M130 PolarHBondContact O-N 3.2Å; A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.23Å; A127-I131 PolarHBondContact O-N 2.8Å; A127-I131 VanDerWaalsContact O-N 3.08Å
128R95.9Very high94.3Very high40 Ų4059.3 Ų59.315%0.15129%0.285CS..Hα-helixtrans-59.7-46.7177.3-164.2179.6179.496.6-5112.4E41 Q112 I124 H125 H126 I131 L132 P146E41-R128 IonicContact OE1-CZ 3.5Å; E41-R128 IonicContact OE1-NH1 3.99Å; E41-R128 PolarHBondContact OE1-NH1 2.83Å; E41-R128 IonicContact OE1-NH2 3.34Å; E41-R128 PolarHBondContact OE1-NH2 3.28Å; E41-R128 IonicContact OE2-NH1 3.65Å; Q112-R128 HydrophobicContact CG-CB 4.26Å; I124-R128 PolarHBondContact O-N 3.44Å; H125-R128 WeakPolarHBondContact O-CB 3.33Å; H125-R128 PolarHBondContact O-N 3.07Å; H126-R128 VanDerWaalsContact C-N 3.29Å; H126-R128 PolarHBondContact O-N 2.93Å; R128-I131 PolarHBondContact O-N 2.97Å; R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.27Å; R128-L132 VanDerWaalsContact O-N 3.08Å; R128-P146 HydrophobicContact CG-CB 4.04Å; R128-P146 HydrophobicContact CG-CG 3.74Å
129V95Very high94.2Very high66 Ų6662.6 Ų62.640%0.430%0.295SS..Hα-helixtrans-63.4-44.3-179.8174.60000110.6H125 H126 A127 I131 L132 Q133H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.29Å; H125-V129 VanDerWaalsContact O-N 3.14Å; H126-V129 PolarHBondContact O-N 3.49Å; A127-V129 PolarHBondContact O-N 2.93Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.37Å; V129-L132 PolarHBondContact O-N 2.97Å; V129-Q133 HydrophobicContact CG1-CG 4.17Å; V129-Q133 WeakPolarHBondContact O-CB 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.19Å; V129-Q133 PolarHBondContact O-N 2.88Å
130M94.5Very high94.2Very high4 Ų469.8 Ų69.82%0.0230%0.304CS..Hα-helixtrans-62.4-38.5178.1-74.1-166.1-73.600113.3L120 A121 H126 A127 R134 H135 I136 F160L120-M130 WeakPolarHBondContact O-CE 3.35Å; A121-M130 HydrophobicContact CB-CE 3.12Å; H126-M130 PolarHBondContact O-N 2.91Å; A127-M130 PolarHBondContact O-N 3.2Å; M130-R134 PolarHBondContact O-N 3.17Å; M130-H135 HydrophobicContact CB-CB 4.29Å; M130-H135 WeakPolarHBondContact O-CB 3.24Å; M130-H135 PolarHBondContact O-N 3.11Å; M130-I136 HydrophobicContact CB-CD1 3.71Å; M130-F160 HydrophobicContact SD-CE1 3.94Å
131I95.3Very high94.2Very high0 Ų074.7 Ų74.70%033%0.326CS..Hα-helixtrans-63.3-49.4175-66.7168.5000109.7L111 Q112 V115 A127 R128 V129 Q133 R134 I136 V143 N144 P146L111-I131 HydrophobicContact CB-CD1 4.28Å; L111-I131 HydrophobicContact CD2-CD1 4.05Å; L111-I131 HydrophobicContact CD2-CG1 4.31Å; L111-I131 HydrophobicContact CD2-CG2 4.31Å; L111-I131 HydrophobicContact CG-CD1 3.81Å; L111-I131 HydrophobicContact CG-CG1 4.45Å; Q112-I131 HydrophobicContact CB-CD1 4.17Å; V115-I131 HydrophobicContact CG2-CD1 4.36Å; A127-I131 VanDerWaalsContact O-CG1 3.28Å; A127-I131 WeakPolarHBondContact O-CG1 3.23Å; A127-I131 PolarHBondContact O-N 2.8Å; A127-I131 VanDerWaalsContact O-N 3.08Å; R128-I131 PolarHBondContact O-N 2.97Å; V129-I131 VanDerWaalsContact C-N 3.34Å; V129-I131 PolarHBondContact O-N 3.37Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 2.8Å; I131-R134 PolarHBondContact O-N 3.35Å; I131-R134 VanDerWaalsContact O-N 3.08Å; I131-I136 HydrophobicContact CB-CD1 4.42Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG1-CB 4.31Å; I131-I136 HydrophobicContact CG1-CD1 3.42Å; I131-I136 VanDerWaalsContact CG1-CD1 3.42Å; I131-I136 HydrophobicContact CG1-CG1 4.46Å; I131-V143 WeakPolarHBondContact CG2-O 3.35Å; I131-N144 WeakPolarHBondContact O-CA 3.11Å; I131-P146 HydrophobicContact CB-CG 4.28Å; I131-P146 HydrophobicContact CD1-CB 4.33Å; I131-P146 HydrophobicContact CG2-CG 3.97Å
132L95.1Very high94.2Very high96 Ų9677.8 Ų77.850%0.50334%0.34SS..Hα-helixtrans-63.3-37.4-178.9-71171.8000112.6R128 V129 R134 P146R128-L132 HydrophobicContact CG-CD1 4.28Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.27Å; R128-L132 VanDerWaalsContact O-N 3.08Å; V129-L132 PolarHBondContact O-N 2.97Å; L132-R134 PolarHBondContact O-N 3.43Å; L132-P146 HydrophobicContact CD2-CG 4.16Å; L132-P146 HydrophobicContact CG-CG 4.08Å
133Q92.4Very high94.2Very high112 Ų11267 Ų6752%0.52330%0.3SS..THydrogen-bonded Turntrans-78.98.8177-69.3178-12.700113.6V129 I131V129-Q133 HydrophobicContact CG1-CG 4.17Å; V129-Q133 WeakPolarHBondContact O-CB 3.33Å; V129-Q133 WeakPolarHBondContact O-CG 3.19Å; V129-Q133 PolarHBondContact O-N 2.88Å; I131-Q133 VanDerWaalsContact C-N 3.32Å; I131-Q133 PolarHBondContact O-N 2.8Å
134R92.7Very high94.2Very high154 Ų15468.4 Ų68.458%0.58130%0.304SS*.THydrogen-bonded Turntrans66.434.5173.7-59.6-178.4177.7-170.1-1.8114.1M130 I131 L132 M142 N144M130-R134 PolarHBondContact O-N 3.17Å; I131-R134 PolarHBondContact O-N 3.35Å; I131-R134 VanDerWaalsContact O-N 3.08Å; L132-R134 PolarHBondContact O-N 3.43Å; R134-M142 HydrophobicContact CB-CE 4.33Å; R134-M142 HydrophobicContact CB-CG 4.32Å; R134-M142 HydrophobicContact CB-SD 3.6Å; R134-M142 VanDerWaalsContact CB-SD 3.6Å; R134-M142 HydrophobicContact CG-SD 4Å; R134-N144 HydrophobicContact CG-CB 4.34Å
135H93Very high94.2Very high24 Ų2470.4 Ų70.411%0.11132%0.317CS..  trans-92-16.8178.1-64.4-49.8000114.2M130 F160 S161 Y166M130-H135 HydrophobicContact CB-CB 4.29Å; M130-H135 WeakPolarHBondContact O-CB 3.24Å; M130-H135 PolarHBondContact O-N 3.11Å; H135-F160 CarbonylContact O-C 3.58Å; H135-F160 VanDerWaalsContact O-CA 3.3Å; H135-F160 WeakPolarHBondContact O-CA 3.46Å; H135-S161 PolarHBondContact O-N 3.09Å; H135-Y166 HydrophobicContact CB-CD2 4.36Å; H135-Y166 HydrophobicContact CB-CE2 4.43Å; H135-Y166 AromaticContact CD2-CE2 3.88Å; H135-Y166 AromaticContact CG-CE2 3.88Å
136I94.7Very high94.1Very high0 Ų065.8 Ų65.80%030%0.297CS..EExtended strand (participates in β ladder)trans-110.3138-173.9-69.6151.6000110.7L111 V115 M130 I131 V143 I158L111-I136 HydrophobicContact CD1-CG2 4.4Å; V115-I136 HydrophobicContact CB-CD1 4.3Å; V115-I136 HydrophobicContact CG1-CD1 3.52Å; V115-I136 HydrophobicContact CG1-CG1 4.47Å; V115-I136 HydrophobicContact CG2-CD1 3.81Å; V115-I136 HydrophobicContact CG2-CG1 4.4Å; V115-I136 HydrophobicContact CG2-CG2 3.94Å; M130-I136 HydrophobicContact CB-CD1 3.71Å; I131-I136 HydrophobicContact CB-CD1 4.42Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG1-CB 4.31Å; I131-I136 HydrophobicContact CG1-CD1 3.42Å; I131-I136 VanDerWaalsContact CG1-CD1 3.42Å; I131-I136 HydrophobicContact CG1-CG1 4.46Å; I136-V143 PolarHBondContact O-N 3.23Å; I136-I158 HydrophobicContact CG2-CG2 4.1Å
137R94.4Very high94Very high60 Ų6065.5 Ų65.523%0.22630%0.302CS..EExtended strand (participates in β ladder)trans-118151.817165.7174.9176.7132.3-1.9110.9R139 Q141 D159 F160R137-R139 PolarHBondContact NH1-O 3.47Å; R137-Q141 CarbonylContact C-O 3.58Å; R137-Q141 WeakPolarHBondContact CA-O 3.44Å; R137-Q141 WeakPolarHBondContact CB-O 3.32Å; R137-D159 WeakPolarHBondContact CG-O 3.33Å; R137-D159 PolarHBondContact N-O 2.93Å; R137-D159 IonicContact NH2-OD2 3.43Å; R137-D159 PolarHBondContact O-N 3.21Å; R137-F160 PolarHBondContact NE-O 2.95Å; R137-F160 VanDerWaalsContact NE-O 3.09Å
138V94.6Very high93.9Very high10 Ų1069.1 Ų69.16%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-114.8111.3166.9-176.20000106.5L111 R140 Q141 V143 F148 I158L111-V138 HydrophobicContact CD1-CG2 3.62Å; L111-V138 HydrophobicContact CD2-CG2 4.19Å; V138-R140 PolarHBondContact O-N 3.48Å; V138-R140 VanDerWaalsContact O-N 3.13Å; V138-Q141 PolarHBondContact N-O 3.47Å; V138-Q141 PolarHBondContact O-N 2.92Å; V138-V143 HydrophobicContact CB-CG2 4.05Å; V138-V143 HydrophobicContact CG2-CB 4.38Å; V138-V143 HydrophobicContact CG2-CG2 3.82Å; V138-F148 HydrophobicContact CG1-CE1 4.32Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.19Å; V138-I158 HydrophobicContact CG2-CG1 4.44Å
139R92.2Very high93.8Very high143 Ų14370.5 Ų70.554%0.5433%0.328SS..THydrogen-bonded Turntrans59.4-109.3-173.4-169.2-173.6-101.9-173.7-5.2111.8R137 H157R137-R139 PolarHBondContact NH1-O 3.47Å; R139-H157 HydrophobicContact CB-CB 4.01Å; R139-H157 PolarHBondContact N-O 3.15Å
140R91.5Very high93.7Very high236 Ų23667.4 Ų67.489%0.89131%0.309SS*.THydrogen-bonded Turntrans-97.9-16.8179.2-69.8-177.5-179.6-178.4-0.6112.1V138V138-R140 PolarHBondContact O-N 3.48Å; V138-R140 VanDerWaalsContact O-N 3.13Å
141Q93.5Very high93.7Very high137 Ų13774.2 Ų74.264%0.6433%0.334SS*.EExtended strand (participates in β ladder)trans-97.1129.9-171.8-169.817419.200111.1R137 V138R137-Q141 CarbonylContact C-O 3.58Å; R137-Q141 WeakPolarHBondContact CA-O 3.44Å; R137-Q141 WeakPolarHBondContact CB-O 3.32Å; V138-Q141 PolarHBondContact N-O 3.47Å; V138-Q141 PolarHBondContact O-N 2.92Å
142M92.3Very high93.6Very high72 Ų7277.3 Ų77.336%0.35535%0.35SS..EExtended strand (participates in β ladder)trans-73.9124.6167.2179.9-173.7-77.200109.2R134 S161 T163R134-M142 HydrophobicContact CB-CE 4.33Å; R134-M142 HydrophobicContact CB-CG 4.32Å; R134-M142 HydrophobicContact CB-SD 3.6Å; R134-M142 VanDerWaalsContact CB-SD 3.6Å; R134-M142 HydrophobicContact CG-SD 4Å; M142-S161 VanDerWaalsContact CE-OG 3.3Å; M142-S161 WeakPolarHBondContact CE-OG 3.37Å; M142-T163 WeakPolarHBondContact CE-OG1 3.49Å
143V94.1Very high93.4Very high11 Ų1177.6 Ų77.67%0.06735%0.353CS..  trans-113.6119.4-177.3-178.40000108.9L111 I131 I136 V138 F148L111-V143 HydrophobicContact CD2-CB 3.81Å; L111-V143 HydrophobicContact CD2-CG1 3.58Å; I131-V143 WeakPolarHBondContact CG2-O 3.35Å; I136-V143 PolarHBondContact O-N 3.23Å; V138-V143 HydrophobicContact CB-CG2 4.05Å; V138-V143 HydrophobicContact CG2-CB 4.38Å; V138-V143 HydrophobicContact CG2-CG2 3.82Å; V143-F148 HydrophobicContact CG1-CB 3.82Å; V143-F148 HydrophobicContact CG1-CD1 4.28Å; V143-F148 HydrophobicContact CG1-CD2 4.4Å; V143-F148 HydrophobicContact CG1-CG 3.92Å
144N94.6Very high93.5Very high78 Ų7873.5 Ų73.542%0.41734%0.336SS..  trans-10412.9-179.666.6-26.4000113.6I131 R134I131-N144 WeakPolarHBondContact O-CA 3.11Å; R134-N144 HydrophobicContact CG-CB 4.34Å
145V94.1Very high93.4Very high66 Ų6668.6 Ų68.640%0.432%0.32SS..  trans-117.2109.6-176.2-178.40000110.3S147 F148V145-S147 WeakPolarHBondContact CG1-OG 3.33Å; V145-S147 PolarHBondContact O-N 3Å; V145-S147 VanDerWaalsContact O-N 3.17Å; V145-F148 VanDerWaalsContact O-CB 3.28Å; V145-F148 WeakPolarHBondContact O-CB 3.19Å; V145-F148 PolarHBondContact O-N 3.13Å; V145-F148 VanDerWaalsContact O-N 3.1Å
146P95Very high93.4Very high8 Ų876 Ų765%0.05235%0.352CS..THydrogen-bonded Turntrans-63.7-20.4-179.8-23.833.4000114.7Q112 R128 I131 L132 F148Q112-P146 HydrophobicContact CB-CB 4.19Å; R128-P146 HydrophobicContact CG-CB 4.04Å; R128-P146 HydrophobicContact CG-CG 3.74Å; I131-P146 HydrophobicContact CB-CG 4.28Å; I131-P146 HydrophobicContact CD1-CB 4.33Å; I131-P146 HydrophobicContact CG2-CG 3.97Å; L132-P146 HydrophobicContact CD2-CG 4.16Å; L132-P146 HydrophobicContact CG-CG 4.08Å; P146-F148 VanDerWaalsContact C-N 3.27Å
147S92.9Very high93.3Very high58 Ų5880.2 Ų80.241%0.40637%0.371SS..THydrogen-bonded Turntrans-83.21.7177.2690000113.8V145 I149V145-S147 WeakPolarHBondContact CG1-OG 3.33Å; V145-S147 PolarHBondContact O-N 3Å; V145-S147 VanDerWaalsContact O-N 3.17Å; S147-I149 PolarHBondContact O-N 3.25Å
148F94.4Very high93.3Very high77 Ų7777.7 Ų77.734%0.33836%0.362SS..PPolyproline II helixtrans-60.5127.7176.6-179-103.7000110.1R110 L111 V138 V143 V145 P146 V150R110-F148 CarbonylContact C-O 3.5Å; L111-F148 HydrophobicContact CB-CB 4.13Å; L111-F148 HydrophobicContact CB-CD1 4.29Å; L111-F148 WeakPolarHBondContact CB-O 3.37Å; L111-F148 HydrophobicContact CD2-CB 4.33Å; L111-F148 HydrophobicContact CD2-CD1 4.34Å; L111-F148 PolarHBondContact N-O 2.86Å; V138-F148 HydrophobicContact CG1-CE1 4.32Å; V138-F148 HydrophobicContact CG2-CD1 4.42Å; V138-F148 HydrophobicContact CG2-CE1 4.19Å; V143-F148 HydrophobicContact CG1-CB 3.82Å; V143-F148 HydrophobicContact CG1-CD1 4.28Å; V143-F148 HydrophobicContact CG1-CD2 4.4Å; V143-F148 HydrophobicContact CG1-CG 3.92Å; V145-F148 VanDerWaalsContact O-CB 3.28Å; V145-F148 WeakPolarHBondContact O-CB 3.19Å; V145-F148 PolarHBondContact O-N 3.13Å; V145-F148 VanDerWaalsContact O-N 3.1Å; P146-F148 VanDerWaalsContact C-N 3.27Å; F148-V150 HydrophobicContact CD1-CG2 4.14Å; F148-V150 HydrophobicContact CE1-CG2 4.39Å
149I94Very high93.2Very high69 Ų6980.6 Ų80.635%0.35438%0.377SS..BIsolated β-bridgetrans-88.9121.1178.5-63.6175.8000108.1I85 R109 S147I85-I149 HydrophobicContact CB-CG2 4.39Å; I85-I149 HydrophobicContact CG1-CG2 4.19Å; I85-I149 HydrophobicContact CG2-CG2 3.43Å; I85-I149 VanDerWaalsContact CG2-CG2 3.43Å; R109-I149 HydrophobicContact CB-CG2 4.25Å; S147-I149 PolarHBondContact O-N 3.25Å
150V93.5Very high93.3Very high0 Ų075.8 Ų75.80%036%0.36CS..PPolyproline II helixtrans-86122.2-177.2179.60000109.7I85 R109 L111 Q114 F148 E155 I158I85-V150 VanDerWaalsContact O-O 3.12Å; R109-V150 PolarHBondContact NE-O 2.82Å; R109-V150 PolarHBondContact NH2-O 3.05Å; R109-V150 PolarHBondContact O-N 2.85Å; L111-V150 HydrophobicContact CB-CG2 3.93Å; L111-V150 HydrophobicContact CD1-CG2 3.7Å; L111-V150 HydrophobicContact CG-CG2 4.44Å; Q114-V150 HydrophobicContact CB-CG2 4.35Å; Q114-V150 HydrophobicContact CG-CB 4.22Å; Q114-V150 HydrophobicContact CG-CG2 4.19Å; F148-V150 HydrophobicContact CD1-CG2 4.14Å; F148-V150 HydrophobicContact CE1-CG2 4.39Å; V150-E155 HydrophobicContact CG1-CB 4.06Å; V150-I158 HydrophobicContact CG1-CD1 3.91Å; V150-I158 HydrophobicContact CG2-CD1 4.16Å
151R93.7Very high93.3Very high148 Ų14865 Ų6556%0.55832%0.321SS*.PPolyproline II helixtrans-72.9152170.3-64.5-178179.9175.7-0.4111.4L84 D153 S154 E155L84-R151 CarbonylContact O-C 3.57Å; L84-R151 WeakPolarHBondContact O-CA 3.47Å; L84-R151 WeakPolarHBondContact O-CB 3.34Å; R151-D153 VanDerWaalsContact C-N 3.32Å; R151-D153 PolarHBondContact O-N 2.89Å; R151-S154 PolarHBondContact O-N 3.06Å; R151-E155 PolarHBondContact O-N 2.71Å; R151-E155 VanDerWaalsContact O-N 3.09Å
152L92.2Very high93.2Very high64 Ų6463.9 Ų63.934%0.33532%0.319SS..Hα-helixtrans-51.6-47.1179.5-70.4174.7000112.4V83 L84 S154 E155V83-L152 WeakPolarHBondContact O-CD1 3.45Å; L84-L152 PolarHBondContact O-N 2.81Å; L152-S154 PolarHBondContact O-N 3.39Å; L152-E155 VanDerWaalsContact O-CB 3.22Å; L152-E155 WeakPolarHBondContact O-CB 3.18Å; L152-E155 PolarHBondContact O-N 3.03Å; L152-E155 VanDerWaalsContact O-N 3.14Å
153D92.8Very high93Very high103 Ų10365.3 Ų65.355%0.55133%0.332SS*.Hα-helixtrans-61.1-32.8179.6-49.7-23.5000113.6R151 H157R151-D153 VanDerWaalsContact C-N 3.32Å; R151-D153 PolarHBondContact O-N 2.89Å; D153-H157 PolarHBondContact O-ND1 3.32Å
154S92.9Very high92.6Very high25 Ų2564.9 Ų64.918%0.17533%0.329CS..Hα-helixtrans-86.7-14.6-176.7-61.30000112.6R151 L152 K156 H157R151-S154 PolarHBondContact O-N 3.06Å; L152-S154 PolarHBondContact O-N 3.39Å; S154-K156 PolarHBondContact O-N 3.14Å; S154-H157 PolarHBondContact O-N 2.82Å; S154-H157 VanDerWaalsContact O-N 3.15Å
155E91.9Very high92.3Very high51 Ų5163.2 Ų63.224%0.23832%0.322CS..Hα-helixtrans-61.3-44.8-176-172.6170.8170.900112R109 Q114 K118 V150 R151 L152 H157 I158R109-E155 IonicContact CZ-OE2 3.76Å; R109-E155 IonicContact NH1-OE1 3.95Å; R109-E155 PolarHBondContact NH1-OE1 2.94Å; R109-E155 IonicContact NH1-OE2 3.1Å; R109-E155 PolarHBondContact NH1-OE2 2.9Å; R109-E155 IonicContact NH2-OE2 3.77Å; R109-E155 PolarHBondContact NH2-OE2 3.2Å; Q114-E155 PolarHBondContact OE1-OE1 3.07Å; K118-E155 WeakPolarHBondContact CE-O 3.3Å; K118-E155 PolarHBondContact NZ-O 2.96Å; V150-E155 HydrophobicContact CG1-CB 4.06Å; R151-E155 PolarHBondContact O-N 2.71Å; R151-E155 VanDerWaalsContact O-N 3.09Å; L152-E155 VanDerWaalsContact O-CB 3.22Å; L152-E155 WeakPolarHBondContact O-CB 3.18Å; L152-E155 PolarHBondContact O-N 3.03Å; L152-E155 VanDerWaalsContact O-N 3.14Å; E155-H157 PolarHBondContact O-N 3.29Å; E155-I158 WeakPolarHBondContact O-CG1 3.21Å; E155-I158 PolarHBondContact O-N 3.2Å
156K92.1Very high91.9Very high181 Ų18166.5 Ų66.579%0.78733%0.329SS*.THydrogen-bonded Turntrans-58.9-31.5177.7-63.6-177.2-177.3179.50112.5K118 S154 I158K118-K156 PolarHBondContact NZ-O 3.3Å; S154-K156 PolarHBondContact O-N 3.14Å; K156-I158 PolarHBondContact O-N 3.28Å
157H92.7Very high91.6Very high88 Ų8869.8 Ų69.841%0.40735%0.348SS..THydrogen-bonded Turntrans-94.120.7-172.7-52.893.6000114.3R139 D153 S154 E155R139-H157 HydrophobicContact CB-CB 4.01Å; R139-H157 PolarHBondContact N-O 3.15Å; D153-H157 PolarHBondContact O-ND1 3.32Å; S154-H157 PolarHBondContact O-N 2.82Å; S154-H157 VanDerWaalsContact O-N 3.15Å; E155-H157 PolarHBondContact O-N 3.29Å
158I94.1Very high91.3Very high6 Ų670.4 Ų70.43%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-84.8120170-56.4168.2000108.6L111 Q114 V115 K118 L120 I136 V138 V150 E155 K156L111-I158 HydrophobicContact CD1-CD1 4.12Å; L111-I158 HydrophobicContact CD1-CG1 4.3Å; L111-I158 HydrophobicContact CD1-CG2 4.29Å; Q114-I158 HydrophobicContact CB-CD1 3.84Å; V115-I158 HydrophobicContact CG2-CG2 3.88Å; K118-I158 HydrophobicContact CD-CB 3.99Å; K118-I158 HydrophobicContact CD-CD1 4.32Å; K118-I158 HydrophobicContact CD-CG2 4.44Å; K118-I158 PolarHBondContact NZ-O 3.13Å; L120-I158 HydrophobicContact CD1-CG2 3.88Å; I136-I158 HydrophobicContact CG2-CG2 4.1Å; V138-I158 HydrophobicContact CG2-CG1 4.44Å; V150-I158 HydrophobicContact CG1-CD1 3.91Å; V150-I158 HydrophobicContact CG2-CD1 4.16Å; E155-I158 WeakPolarHBondContact O-CG1 3.21Å; E155-I158 PolarHBondContact O-N 3.2Å; K156-I158 PolarHBondContact O-N 3.28Å
159D94Very high90.8Very high71 Ų7169.8 Ų69.838%0.3837%0.365SS..EExtended strand (participates in β ladder)trans-155.8175.6178.5-166.610.6000110.2R137R137-D159 WeakPolarHBondContact CG-O 3.33Å; R137-D159 PolarHBondContact N-O 2.93Å; R137-D159 IonicContact NH2-OD2 3.43Å; R137-D159 PolarHBondContact O-N 3.21Å
160F93.5Very high90.2Very high43 Ų4374 Ų7419%0.18938%0.38CS..EExtended strand (participates in β ladder)trans-60.9144.9169-67.8-70.3000111.4L120 M130 H135 R137 Y166 V167L120-F160 HydrophobicContact CB-CZ 4.44Å; L120-F160 HydrophobicContact CD2-CD2 4.18Å; L120-F160 HydrophobicContact CD2-CE2 3.81Å; L120-F160 HydrophobicContact CD2-CZ 4.32Å; M130-F160 HydrophobicContact SD-CE1 3.94Å; H135-F160 CarbonylContact O-C 3.58Å; H135-F160 VanDerWaalsContact O-CA 3.3Å; H135-F160 WeakPolarHBondContact O-CA 3.46Å; R137-F160 PolarHBondContact NE-O 2.95Å; R137-F160 VanDerWaalsContact NE-O 3.09Å; F160-Y166 HydrophobicContact CD1-CD2 4.19Å; F160-Y166 HydrophobicContact CD1-CG 4.44Å; F160-Y166 HydrophobicContact CE1-CD2 4.1Å; F160-Y166 HydrophobicContact CE1-CG 4.31Å; F160-V167 HydrophobicContact CB-CG2 3.46Å; F160-V167 VanDerWaalsContact CB-CG2 3.46Å; F160-V167 HydrophobicContact CG-CG2 4.47Å
161S92.1Very high89.6Confident9 Ų976.1 Ų76.16%0.06339%0.394CS..  trans-65.3140.2173.4-178.70000109.7H135 M142 T163 S164 V167H135-S161 PolarHBondContact O-N 3.09Å; M142-S161 VanDerWaalsContact CE-OG 3.3Å; M142-S161 WeakPolarHBondContact CE-OG 3.37Å; S161-T163 PolarHBondContact O-N 2.97Å; S161-T163 VanDerWaalsContact O-N 3.14Å; S161-T163 PolarHBondContact OG-N 3.47Å; S161-T163 PolarHBondContact OG-OG1 3.17Å; S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S164 PolarHBondContact O-N 3.29Å; S161-S164 PolarHBondContact O-OG 2.98Å; S161-V167 WeakPolarHBondContact O-CG2 3.44Å
162L90.7Very high89Confident114 Ų11470.3 Ų70.360%0.59738%0.381SS*.THydrogen-bonded Turntrans-59.5-25.8175.4-59.2177.4000112.4S164 T168L162-S164 VanDerWaalsContact C-N 3.33Å; L162-T168 PolarHBondContact O-OG1 3.44Å
163T87.6Confident88.5Confident102 Ų10277.4 Ų77.463%0.62640%0.403SS*.THydrogen-bonded Turntrans-86.2-2.5176.863.30000113.6M142 S161M142-T163 WeakPolarHBondContact CE-OG1 3.49Å; S161-T163 PolarHBondContact O-N 2.97Å; S161-T163 VanDerWaalsContact O-N 3.14Å; S161-T163 PolarHBondContact OG-N 3.47Å; S161-T163 PolarHBondContact OG-OG1 3.17Å
164S86.9Confident88.1Confident1 Ų177.3 Ų77.31%0.00741%0.406CS..SBendtrans-79.4144.4-175.173.20000110.6S161 L162 Y166 V167 T168S161-S164 WeakPolarHBondContact O-CB 3.41Å; S161-S164 PolarHBondContact O-N 3.29Å; S161-S164 PolarHBondContact O-OG 2.98Å; L162-S164 VanDerWaalsContact C-N 3.33Å; S164-Y166 PolarHBondContact O-N 2.96Å; S164-Y166 VanDerWaalsContact O-N 3.07Å; S164-V167 PolarHBondContact O-N 3.34Å; S164-T168 PolarHBondContact O-N 3.36Å; S164-T168 PolarHBondContact O-OG1 3.39Å
165P87Confident87.7Confident43 Ų4384.3 Ų84.328%0.27943%0.429SS..Hα-helixtrans-55.9-25.3174.1-27.136.2000113.9V167 G169 K170P165-V167 VanDerWaalsContact C-N 3.35Å; P165-G169 VanDerWaalsContact O-CA 3.3Å; P165-G169 WeakPolarHBondContact O-CA 3.32Å; P165-G169 PolarHBondContact O-N 3.44Å; P165-K170 WeakPolarHBondContact CB-O 3.39Å
166Y86.3Confident87.4Confident136 Ų13688.4 Ų88.453%0.53344%0.442SS..Hα-helixtrans-69.2-30.4177.8-63.6-69.4000113.3H135 F160 S164H135-Y166 HydrophobicContact CB-CD2 4.36Å; H135-Y166 HydrophobicContact CB-CE2 4.43Å; H135-Y166 AromaticContact CD2-CE2 3.88Å; H135-Y166 AromaticContact CG-CE2 3.88Å; F160-Y166 HydrophobicContact CD1-CD2 4.19Å; F160-Y166 HydrophobicContact CD1-CG 4.44Å; F160-Y166 HydrophobicContact CE1-CD2 4.1Å; F160-Y166 HydrophobicContact CE1-CG 4.31Å; S164-Y166 PolarHBondContact O-N 2.96Å; S164-Y166 VanDerWaalsContact O-N 3.07Å
167V88.5Confident87.1Confident76 Ų7686.7 Ų86.746%0.46143%0.431SS..Hα-helixtrans-93.5-43.1176.5178.20000110.6F160 S161 S164 P165 G169F160-V167 HydrophobicContact CB-CG2 3.46Å; F160-V167 VanDerWaalsContact CB-CG2 3.46Å; F160-V167 HydrophobicContact CG-CG2 4.47Å; S161-V167 WeakPolarHBondContact O-CG2 3.44Å; S164-V167 PolarHBondContact O-N 3.34Å; P165-V167 VanDerWaalsContact C-N 3.35Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.13Å
168T86.7Confident86.8Confident72 Ų7286.5 Ų86.544%0.44243%0.433SS..Hα-helixtrans-75.4-19.6-177.1-44.20000113L162 S164 K170L162-T168 PolarHBondContact O-OG1 3.44Å; S164-T168 PolarHBondContact O-N 3.36Å; S164-T168 PolarHBondContact O-OG1 3.39Å; T168-K170 HydrophobicContact CG2-CB 4.12Å; T168-K170 HydrophobicContact CG2-CD 4.17Å; T168-K170 HydrophobicContact CG2-CG 4.17Å; T168-K170 PolarHBondContact O-N 2.97Å
169G83.5Confident86.5Confident63 Ų6389.7 Ų89.765%0.64945%0.448SS*.  trans71.3-26.4-172.400000114.5P165 V167P165-G169 VanDerWaalsContact O-CA 3.3Å; P165-G169 WeakPolarHBondContact O-CA 3.32Å; P165-G169 PolarHBondContact O-N 3.44Å; V167-G169 VanDerWaalsContact C-N 3.32Å; V167-G169 PolarHBondContact O-N 3.13Å
170K81.8Confident86.2Confident157 Ų15792.6 Ų92.668%0.68346%0.458SS*.SBendtrans-68.5124.9179.3-68.4179.3179.5176.20111.3P165 T168P165-K170 WeakPolarHBondContact CB-O 3.39Å; T168-K170 HydrophobicContact CG2-CB 4.12Å; T168-K170 HydrophobicContact CG2-CD 4.17Å; T168-K170 HydrophobicContact CG2-CG 4.17Å; T168-K170 PolarHBondContact O-N 2.97Å
171P81.8Confident85.8Confident45 Ų4597 Ų9729%0.29247%0.473SS..PPolyproline II helixtrans-62.7140.918021.2-29.6000112.1R175 R176 M179P171-R175 HydrophobicContact CB-CB 4.3Å; P171-R175 HydrophobicContact CB-CG 4.26Å; P171-R176 HydrophobicContact CB-CG 4.11Å; P171-R176 HydrophobicContact CG-CG 3.8Å; P171-R176 WeakPolarHBondContact O-CD 3.5Å; P171-R176 PolarHBondContact O-NE 2.88Å; P171-M179 HydrophobicContact CB-CE 3.93Å; P171-M179 HydrophobicContact CG-CE 3.77Å
172G80.3Confident85.4Confident27 Ų2799.5 Ų99.528%0.27849%0.494SS..PPolyproline II helixtrans-60.2161.4179.100000113.2V174 R175 R176G172-V174 VanDerWaalsContact C-N 3.31Å; G172-V174 PolarHBondContact O-N 2.83Å; G172-R175 PolarHBondContact O-N 2.98Å; G172-R175 VanDerWaalsContact O-N 3.13Å; G172-R176 PolarHBondContact O-N 2.86Å
173R82.2Confident85Confident212 Ų21299.5 Ų99.580%0.849%0.491SS*.Hα-helixtrans-51.3-45.6-176.9-178.1-177.6178.4-167.80.7113.2R176 R177R173-R176 PolarHBondContact O-N 2.75Å; R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 PolarHBondContact O-N 3.38Å
174V83.6Confident84.7Confident102 Ų102100.6 Ų100.662%0.61849%0.489SS*.Hα-helixtrans-67.2-44.4-179178.40000111G172 R176 R177 N178G172-V174 VanDerWaalsContact C-N 3.31Å; G172-V174 PolarHBondContact O-N 2.83Å; V174-R176 PolarHBondContact O-N 3.34Å; V174-R177 PolarHBondContact O-N 2.79Å; V174-N178 WeakPolarHBondContact O-CB 3.33Å; V174-N178 VanDerWaalsContact O-CG 3.29Å; V174-N178 PolarHBondContact O-N 2.85Å; V174-N178 PolarHBondContact O-OD1 3.27Å
175R84Confident84.2Confident172 Ų172103.3 Ų103.365%0.64951%0.511SS*.Hα-helixtrans-62.1-43.6176.7-170.3173.4176.6176.2-0.8111.3P171 G172 R177 N178 M179P171-R175 HydrophobicContact CB-CB 4.3Å; P171-R175 HydrophobicContact CB-CG 4.26Å; G172-R175 PolarHBondContact O-N 2.98Å; G172-R175 VanDerWaalsContact O-N 3.13Å; R175-R177 PolarHBondContact O-N 3.43Å; R175-N178 PolarHBondContact O-N 2.76Å; R175-M179 HydrophobicContact CG-CE 4.14Å; R175-M179 HydrophobicContact CG-SD 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.42Å; R175-M179 PolarHBondContact O-N 2.92Å
176R85.9Confident83.7Confident136 Ų136103.8 Ų103.851%0.51352%0.519SS..Hα-helixtrans-59.9-43173.2-75.7-172.5-78157.7-1.5112.7P171 G172 R173 V174 N178 M179 K180P171-R176 HydrophobicContact CB-CG 4.11Å; P171-R176 HydrophobicContact CG-CG 3.8Å; P171-R176 WeakPolarHBondContact O-CD 3.5Å; P171-R176 PolarHBondContact O-NE 2.88Å; G172-R176 PolarHBondContact O-N 2.86Å; R173-R176 PolarHBondContact O-N 2.75Å; V174-R176 PolarHBondContact O-N 3.34Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-M179 HydrophobicContact CG-CE 4.22Å; R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 WeakPolarHBondContact O-CG 3.17Å; R176-K180 PolarHBondContact O-N 2.95Å
177R85.8Confident83.2Confident145 Ų145103.9 Ų103.955%0.54753%0.525SS..Hα-helixtrans-65.2-38.6176.5-171-176.8-174-174.84.8111.9R173 V174 R175 R181R173-R177 WeakPolarHBondContact O-CB 3.48Å; R173-R177 PolarHBondContact O-N 3.38Å; V174-R177 PolarHBondContact O-N 2.79Å; R175-R177 PolarHBondContact O-N 3.43Å; R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CG 3.26Å; R177-R181 PolarHBondContact O-N 3.31Å
178N87.6Confident82.4Confident84 Ų84102.9 Ų102.945%0.44952%0.524SS..Hα-helixtrans-72.1-39178.9-70.9-0.6000111.6V174 R175 R176 R181 A182V174-N178 WeakPolarHBondContact O-CB 3.33Å; V174-N178 VanDerWaalsContact O-CG 3.29Å; V174-N178 PolarHBondContact O-N 2.85Å; V174-N178 PolarHBondContact O-OD1 3.27Å; R175-N178 PolarHBondContact O-N 2.76Å; R176-N178 VanDerWaalsContact C-N 3.34Å; N178-R181 PolarHBondContact O-N 2.87Å; N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 3.39Å
179M86.2Confident81.7Confident73 Ų73101.6 Ų101.636%0.3652%0.521SS..Hα-helixtrans-61.9-48.5172.7-69.9-178.5-53.400110.6P171 R175 R176 R181 A182 E183P171-M179 HydrophobicContact CB-CE 3.93Å; P171-M179 HydrophobicContact CG-CE 3.77Å; R175-M179 HydrophobicContact CG-CE 4.14Å; R175-M179 HydrophobicContact CG-SD 4.25Å; R175-M179 WeakPolarHBondContact O-CG 3.42Å; R175-M179 PolarHBondContact O-N 2.92Å; R176-M179 HydrophobicContact CG-CE 4.22Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.3Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 3.35Å; M179-E183 WeakPolarHBondContact O-CG 3.46Å; M179-E183 PolarHBondContact O-N 3.18Å
180K88Confident81Confident133 Ų133103 Ų10358%0.57851%0.514SS*.Hα-helixtrans-59-37.8173.8-73.4-171.3173.6-157.30113.9R176 Q184R176-K180 WeakPolarHBondContact O-CB 3.5Å; R176-K180 WeakPolarHBondContact O-CG 3.17Å; R176-K180 PolarHBondContact O-N 2.95Å; K180-Q184 WeakPolarHBondContact O-CB 3.44Å; K180-Q184 WeakPolarHBondContact O-CG 3.32Å; K180-Q184 PolarHBondContact O-N 3.15Å
181R85.5Confident80.2Confident136 Ų13698.1 Ų98.151%0.51350%0.502SS..Hα-helixtrans-70.5-35.4175.4-82.4178.1168.5-171.6-8.3112.2R177 N178 M179 A185R177-R181 WeakPolarHBondContact O-CB 3.31Å; R177-R181 WeakPolarHBondContact O-CG 3.26Å; R177-R181 PolarHBondContact O-N 3.31Å; N178-R181 PolarHBondContact O-N 2.87Å; M179-R181 VanDerWaalsContact C-N 3.3Å; M179-R181 PolarHBondContact O-N 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.06Å
182A83Confident79.2Confident61 Ų6198.5 Ų98.550%0.50451%0.509SS..Hα-helixtrans-69.5-42.8176.200000110.6N178 M179 A185 A186N178-A182 WeakPolarHBondContact O-CB 3.43Å; N178-A182 PolarHBondContact O-N 3.39Å; M179-A182 WeakPolarHBondContact O-CB 3.39Å; M179-A182 PolarHBondContact O-N 3.35Å; A182-A185 PolarHBondContact O-N 3.04Å; A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 2.97Å
183E83.6Confident78.3Confident114 Ų114102.2 Ų102.253%0.53352%0.522SS..Hα-helixtrans-57.2-52.3171.3-72.1158.9-164.800110.7M179 A185 A186 E187M179-E183 WeakPolarHBondContact O-CG 3.46Å; M179-E183 PolarHBondContact O-N 3.18Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.3Å; E183-A186 PolarHBondContact O-N 2.97Å; E183-E187 PolarHBondContact O-N 3.28Å
184Q79.5Confident77.2Confident124 Ų12497.7 Ų97.758%0.57951%0.514SS*.Hα-helixtrans-63.5-33.7176.8-73.6175-10.600113.5K180 A188K180-Q184 WeakPolarHBondContact O-CB 3.44Å; K180-Q184 WeakPolarHBondContact O-CG 3.32Å; K180-Q184 PolarHBondContact O-N 3.15Å; Q184-A188 WeakPolarHBondContact O-CB 3.3Å; Q184-A188 PolarHBondContact O-N 3.26Å
185A78.3Confident75.9Confident58 Ų5896.8 Ų96.848%0.47951%0.508SS..Hα-helixtrans-74.1-34.2176.800000111.7R181 A182 E183 A188 A189R181-A185 WeakPolarHBondContact O-CB 3.5Å; R181-A185 PolarHBondContact O-N 3.06Å; A182-A185 PolarHBondContact O-N 3.04Å; E183-A185 VanDerWaalsContact C-N 3.31Å; E183-A185 PolarHBondContact O-N 3.3Å; A185-A188 PolarHBondContact O-N 3.43Å; A185-A189 WeakPolarHBondContact O-CB 3.44Å; A185-A189 PolarHBondContact O-N 3.41Å
186A76.2Confident74.5Confident54 Ų5493.4 Ų93.445%0.44650%0.502SS..Hα-helixtrans-67-47.7172.900000110.5A182 E183 A188 A189 D190A182-A186 WeakPolarHBondContact O-CB 3.33Å; A182-A186 PolarHBondContact O-N 2.97Å; E183-A186 PolarHBondContact O-N 2.97Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.48Å; A186-A189 PolarHBondContact O-N 3.38Å; A186-D190 PolarHBondContact O-N 2.95Å
187E75.3Confident73Confident138 Ų13895 Ų9565%0.64551%0.509SS*.Hα-helixtrans-59.2-40.8173.3-73.9177.6171.400112.1E183 A191E183-E187 PolarHBondContact O-N 3.28Å; E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 3.16Å
188A72.4Confident71.6Confident55 Ų5591.3 Ų91.346%0.45551%0.51SS..Hα-helixtrans-72.3-31.8177.200000113Q184 A185 A186 A192Q184-A188 WeakPolarHBondContact O-CB 3.3Å; Q184-A188 PolarHBondContact O-N 3.26Å; A185-A188 PolarHBondContact O-N 3.43Å; A186-A188 VanDerWaalsContact C-N 3.3Å; A186-A188 PolarHBondContact O-N 3.48Å; A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.94Å
189A70.3Confident70.2Confident45 Ų4592 Ų9237%0.37252%0.517SS..Hα-helixtrans-70.7-44.117500000110.7A185 A186 A191 A192 I193A185-A189 WeakPolarHBondContact O-CB 3.44Å; A185-A189 PolarHBondContact O-N 3.41Å; A186-A189 PolarHBondContact O-N 3.38Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.12Å; A189-A192 PolarHBondContact O-N 2.86Å; A189-A192 VanDerWaalsContact O-N 3.14Å; A189-I193 WeakPolarHBondContact O-CB 3.44Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.47Å; A189-I193 PolarHBondContact O-N 3.42Å
190D69.8Low68.6Low93 Ų9393.4 Ų93.450%0.49752%0.524SS..Hα-helixtrans-59.5-42.7172.3-81.2-2.6000110.7A186 N194A186-D190 PolarHBondContact O-N 2.95Å; D190-N194 PolarHBondContact O-N 2.91Å; D190-N194 VanDerWaalsContact O-N 3.11Å; D190-N194 PolarHBondContact O-ND2 3.25Å
191A65.4Low66.9Low53 Ų5391.9 Ų91.944%0.43852%0.519SS..Hα-helixtrans-65-39.9174.200000112.6E187 A189 N194 V195E187-A191 WeakPolarHBondContact O-CB 3.49Å; E187-A191 PolarHBondContact O-N 3.16Å; A189-A191 VanDerWaalsContact C-N 3.3Å; A189-A191 PolarHBondContact O-N 3.12Å; A191-N194 PolarHBondContact O-N 3.46Å; A191-V195 VanDerWaalsContact O-CG2 3.24Å; A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 3.08Å
192A60.4Low65.1Low53 Ų5390.4 Ų90.444%0.43853%0.527SS..Hα-helixtrans-72.4-34.3179.700000112.6A188 A189 N194 V195 L196A188-A192 WeakPolarHBondContact O-CB 3.44Å; A188-A192 PolarHBondContact O-N 2.94Å; A189-A192 PolarHBondContact O-N 2.86Å; A189-A192 VanDerWaalsContact O-N 3.14Å; A192-N194 VanDerWaalsContact C-N 3.35Å; A192-V195 PolarHBondContact O-N 3.22Å; A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 PolarHBondContact O-N 3.4Å
193I61.6Low63.2Low106 Ų10695.9 Ų95.954%0.54454%0.542SS..Hα-helixtrans-62.8-45.7171.9-71165.3000109.1A189 V195 L196 Y197A189-I193 WeakPolarHBondContact O-CB 3.44Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.47Å; A189-I193 PolarHBondContact O-N 3.42Å; I193-V195 PolarHBondContact O-N 3.08Å; I193-L196 PolarHBondContact O-N 3.34Å; I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 2.87Å
194N58.4Low61.1Low117 Ų11796.3 Ų96.363%0.62655%0.548SS*.Hα-helixtrans-63.3-38.9176.2-74-19.4000112.8D190 A191 A192 A198D190-N194 PolarHBondContact O-N 2.91Å; D190-N194 VanDerWaalsContact O-N 3.11Å; D190-N194 PolarHBondContact O-ND2 3.25Å; A191-N194 PolarHBondContact O-N 3.46Å; A192-N194 VanDerWaalsContact C-N 3.35Å; N194-A198 WeakPolarHBondContact O-CB 3.46Å; N194-A198 PolarHBondContact O-N 3.39Å
195V57.5Low59.2Low83 Ų8398.3 Ų98.350%0.50356%0.56SS.*Hα-helixtrans-72.9-38.5176.3172.90000111.8A191 A192 I193 A198 V199A191-V195 VanDerWaalsContact O-CG2 3.24Å; A191-V195 WeakPolarHBondContact O-CG2 3.42Å; A191-V195 PolarHBondContact O-N 3.08Å; A192-V195 PolarHBondContact O-N 3.22Å; I193-V195 PolarHBondContact O-N 3.08Å; V195-A198 CarbonylContact O-C 3.52Å; V195-A198 PolarHBondContact O-N 2.71Å; V195-V199 HydrophobicContact CG1-CG2 4.09Å; V195-V199 WeakPolarHBondContact O-CB 3.36Å; V195-V199 VanDerWaalsContact O-CG2 3.23Å; V195-V199 WeakPolarHBondContact O-CG2 3.28Å; V195-V199 PolarHBondContact O-N 3.39Å
196L54.7Low57.4Low100 Ų100101.8 Ų101.852%0.52457%0.567SS.*Hα-helixtrans-67.7-38.9177.6-170.671.3000110.9A192 I193 A198 V199 M200A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 PolarHBondContact O-N 3.4Å; I193-L196 PolarHBondContact O-N 3.34Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å; L196-V199 PolarHBondContact O-N 2.98Å; L196-M200 HydrophobicContact CD1-CG 3.96Å; L196-M200 HydrophobicContact CD1-SD 3.89Å; L196-M200 HydrophobicContact CD2-SD 4.09Å; L196-M200 HydrophobicContact CG-CG 4.09Å; L196-M200 HydrophobicContact CG-SD 3.76Å; L196-M200 VanDerWaalsContact O-CB 3.31Å; L196-M200 WeakPolarHBondContact O-CB 3.36Å; L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.29Å
197Y54.3Low55.6Low170 Ų170108 Ų10867%0.66759%0.586SS**Hα-helixtrans-60.4-40.5172.5-158.5-98.4000111.2I193 H201I193-Y197 WeakPolarHBondContact O-CB 3.45Å; I193-Y197 PolarHBondContact O-N 2.87Å; Y197-H201 PolarHBondContact O-ND1 3.09Å
198A55.7Low53.8Low68 Ų68106.6 Ų106.656%0.56258%0.583SS**Hα-helixtrans-73-28.317600000114.6N194 V195 L196N194-A198 WeakPolarHBondContact O-CB 3.46Å; N194-A198 PolarHBondContact O-N 3.39Å; V195-A198 CarbonylContact O-C 3.52Å; V195-A198 PolarHBondContact O-N 2.71Å; L196-A198 VanDerWaalsContact C-N 3.29Å; L196-A198 PolarHBondContact O-N 3.08Å
199V57.8Low52.3Low97 Ų97113.4 Ų113.459%0.58860%0.599SS**Hα-helixtrans-92.6-31.5-177.7171.90000112.6V195 L196 H201 P202V195-V199 HydrophobicContact CG1-CG2 4.09Å; V195-V199 WeakPolarHBondContact O-CB 3.36Å; V195-V199 VanDerWaalsContact O-CG2 3.23Å; V195-V199 WeakPolarHBondContact O-CG2 3.28Å; V195-V199 PolarHBondContact O-N 3.39Å; L196-V199 PolarHBondContact O-N 2.98Å; V199-H201 VanDerWaalsContact C-N 3.29Å; V199-P202 WeakPolarHBondContact O-CD 3.36Å
200M53.5Low51.1Low103 Ų103115.6 Ų115.651%0.50763%0.625SS.*Hα-helixtrans-77.1-14.2176.2-74.5-173.864.300113.3L196 P202L196-M200 HydrophobicContact CD1-CG 3.96Å; L196-M200 HydrophobicContact CD1-SD 3.89Å; L196-M200 HydrophobicContact CD2-SD 4.09Å; L196-M200 HydrophobicContact CG-CG 4.09Å; L196-M200 HydrophobicContact CG-SD 3.76Å; L196-M200 VanDerWaalsContact O-CB 3.31Å; L196-M200 WeakPolarHBondContact O-CB 3.36Å; L196-M200 WeakPolarHBondContact O-CG 3.43Å; L196-M200 PolarHBondContact O-N 3.29Å; M200-P202 VanDerWaalsContact C-CD 3.45Å; M200-P202 WeakPolarHBondContact O-CD 3.37Å
201H51.6Low50.2Low102 Ų102117.8 Ų117.847%0.47264%0.636SS.*  trans-121.766.9173.2-61.784.3000112Y197 V199 Q203Y197-H201 PolarHBondContact O-ND1 3.09Å; V199-H201 VanDerWaalsContact C-N 3.29Å; H201-Q203 VanDerWaalsContact C-N 3.28Å; H201-Q203 PolarHBondContact O-N 3.14Å
202P46.8Very low49.7Very low105 Ų105121.3 Ų121.368%0.68265%0.652SS**SBendtrans-79-2.5-178.321.9-14.6000114.4V199 M200V199-P202 WeakPolarHBondContact O-CD 3.36Å; M200-P202 VanDerWaalsContact C-CD 3.45Å; M200-P202 WeakPolarHBondContact O-CD 3.37Å
203Q44Very low49.6Very low176 Ų176124.7 Ų124.782%0.82267%0.666SS**SBendtrans-146.821.8-171.4-69.8-154.3-16.300118.3H201H201-Q203 VanDerWaalsContact C-N 3.28Å; H201-Q203 PolarHBondContact O-N 3.14Å
204N39.9Very low49.8Very low122 Ų122125 Ų12565%0.65267%0.669SS**  trans-122.469.5164.8-86.4-13.5000109.9H206N204-H206 PolarHBondContact O-N 3.46Å; N204-H206 VanDerWaalsContact O-N 3.07Å
205I39Very low50.5Low166 Ų166122.1 Ų122.185%0.85166%0.662SS**  trans-72.686148.2-60.3169.6000103.4E207I205-E207 PolarHBondContact O-N 3.2Å
206H40.6Very low51.7Low132 Ų132119.5 Ų119.561%0.61165%0.645SS**  trans-61110.6162.8-98.2-82.4000105.9N204 D208N204-H206 PolarHBondContact O-N 3.46Å; N204-H206 VanDerWaalsContact O-N 3.07Å; H206-D208 PolarHBondContact O-N 3.02Å
207E38.6Very low53.1Low183 Ų183118.8 Ų118.886%0.85565%0.646SS**  trans-50.781.3151-68.5174.6147.900107.8I205I205-E207 PolarHBondContact O-N 3.2Å
208D37.1Very low54.6Low109 Ų109114.4 Ų114.458%0.58363%0.629SS**  trans-162.8107.3170.4-91-36000109.5H206H206-D208 PolarHBondContact O-N 3.02Å
209Y41.1Very low55.9Low199 Ų199113.2 Ų113.278%0.7861%0.613SS**  trans78.484.2169.4-52.9-81.7000118.5I211Y209-I211 PolarHBondContact O-N 2.67Å
210G44.5Very low57.1Low90 Ų90111.5 Ų111.593%0.92860%0.601SS**  34.67.5117.600000123.8V212G210-V212 PolarHBondContact O-N 3.06Å
211I51.7Low58.3Low139 Ų139114.8 Ų114.871%0.71361%0.614SS**  trans-94.393.7179.7-54.2172.1000107.5Y209 V213Y209-I211 PolarHBondContact O-N 2.67Å; I211-V213 HydrophobicContact CG2-CG2 4.04Å; I211-V213 PolarHBondContact O-N 3.22Å
212V55.3Low59.4Low128 Ų128111.9 Ų111.978%0.77661%0.612SS**  trans-66.297.6168.2-177.90000107.2G210 D214G210-V212 PolarHBondContact O-N 3.06Å; V212-D214 HydrophobicContact CG1-CB 4.34Å; V212-D214 PolarHBondContact O-N 2.98Å; V212-D214 VanDerWaalsContact O-N 3.09Å
213V58.2Low60.7Low123 Ų123114.3 Ų114.375%0.74561%0.609SS**  trans-78.790.4172.4-176.60000107.6I211 A215I211-V213 HydrophobicContact CG2-CG2 4.04Å; I211-V213 PolarHBondContact O-N 3.22Å; V213-A215 PolarHBondContact O-N 3.41Å
214D65.1Low62.3Low112 Ų112110.9 Ų110.960%0.59960%0.596SS**  trans-92.880.4-179.4-159.217.7000110.4V212 L216V212-D214 HydrophobicContact CG1-CB 4.34Å; V212-D214 PolarHBondContact O-N 2.98Å; V212-D214 VanDerWaalsContact O-N 3.09Å; D214-L216 WeakPolarHBondContact OD1-CG 3.08Å
215A73.8Confident64.3Low58 Ų58113.3 Ų113.348%0.47960%0.604SS.*  trans-112.9124.316700000108.4V213 P217V213-A215 PolarHBondContact O-N 3.41Å; A215-P217 VanDerWaalsContact C-CD 3.5Å; A215-P217 WeakPolarHBondContact O-CD 3.32Å
216L83Confident66.5Low27 Ų27111.6 Ų111.614%0.14160%0.596CS.*  trans-119.378.5-171.4-58.9173.4000110.6D214 Y218 I219 D220 Q370 L377D214-L216 WeakPolarHBondContact OD1-CG 3.08Å; L216-Y218 PolarHBondContact O-N 3.45Å; L216-I219 HydrophobicContact CB-CB 4.02Å; L216-I219 HydrophobicContact CB-CD1 3.81Å; L216-I219 HydrophobicContact CB-CG1 3.99Å; L216-I219 HydrophobicContact CD1-CD1 3.53Å; L216-I219 HydrophobicContact CG-CD1 4.19Å; L216-I219 PolarHBondContact O-N 2.91Å; L216-D220 PolarHBondContact N-OD2 3.24Å; L216-D220 PolarHBondContact O-N 3.22Å; L216-Q370 HydrophobicContact CD2-CG 4.01Å; L216-L377 HydrophobicContact CD1-CD1 4.01Å
217P83.8Confident68.7Low86 Ų86110.7 Ų110.756%0.55859%0.593SS**THydrogen-bonded Turntrans-54.7-23.4-171.5-29.732.6000117.4A215A215-P217 VanDerWaalsContact C-CD 3.5Å; A215-P217 WeakPolarHBondContact O-CD 3.32Å
218Y85.3Confident70.9Confident77 Ų77109.9 Ų109.930%0.30258%0.583SS.*THydrogen-bonded Turntrans-87.9-17.2176.8-64.5-66.8000113.4L216 R366 K367 Q370L216-Y218 PolarHBondContact O-N 3.45Å; Y218-R366 HydrophobicContact CD2-CG 4.37Å; Y218-R366 HydrophobicContact CE2-CB 4.19Å; Y218-R366 HydrophobicContact CE2-CG 4.08Å; Y218-K367 HydrophobicContact CD1-CB 4.46Å; Y218-K367 HydrophobicContact CD1-CD 4.4Å; Y218-K367 HydrophobicContact CD1-CG 4.22Å; Y218-K367 HydrophobicContact CD2-CB 3.86Å; Y218-K367 HydrophobicContact CD2-CG 4.27Å; Y218-K367 HydrophobicContact CE1-CB 4.48Å; Y218-K367 HydrophobicContact CE2-CB 3.86Å; Y218-K367 HydrophobicContact CG-CB 4.18Å; Y218-K367 HydrophobicContact CG-CG 4.08Å; Y218-Q370 VanDerWaalsContact CB-OE1 3.22Å
219I84Confident73.4Confident43 Ų43107.5 Ų107.522%0.22158%0.578CS.*THydrogen-bonded Turntrans-96.4-47.5177.1-50.6179.6000109.7L216 Q221 Q370 A374 L377L216-I219 HydrophobicContact CB-CB 4.02Å; L216-I219 HydrophobicContact CB-CD1 3.81Å; L216-I219 HydrophobicContact CB-CG1 3.99Å; L216-I219 HydrophobicContact CD1-CD1 3.53Å; L216-I219 HydrophobicContact CG-CD1 4.19Å; L216-I219 PolarHBondContact O-N 2.91Å; I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.29Å; I219-Q370 HydrophobicContact CD1-CB 4.17Å; I219-Q370 WeakPolarHBondContact CD1-O 3.5Å; I219-Q370 HydrophobicContact CG1-CB 4.06Å; I219-A374 HydrophobicContact CD1-CB 3.78Å; I219-A374 HydrophobicContact CG1-CB 3.98Å; I219-A374 HydrophobicContact CG2-CB 4.28Å; I219-L377 HydrophobicContact CD1-CD1 4.25Å
220D83.1Confident75.8Confident62 Ų62100.7 Ų100.733%0.33256%0.563SS.*  trans-74.379.9-176.8-59.2-31.1000110.4L216 Y223L216-D220 PolarHBondContact N-OD2 3.24Å; L216-D220 PolarHBondContact O-N 3.22Å; D220-Y223 HydrophobicContact CB-CE2 3.71Å; D220-Y223 WeakPolarHBondContact O-CD2 3.17Å; D220-Y223 WeakPolarHBondContact O-CE2 3.48Å
221Q78.9Confident77.9Confident171 Ų17198.8 Ų98.880%0.79954%0.538SS*.  trans-91.8131.5173.3-61.1177.821.200108.5I219I219-Q221 VanDerWaalsContact C-N 3.3Å; I219-Q221 PolarHBondContact O-N 3.29Å
222G74.7Confident79.8Confident41 Ų4196.5 Ų96.542%0.42353%0.527SS..  trans132.39.6-179.600000115.6D224 M227G222-D224 PolarHBondContact O-N 2.94Å; G222-M227 WeakPolarHBondContact O-CE 3.22Å
223Y72.9Confident81.5Confident156 Ų15692.7 Ų92.761%0.61251%0.509SS*.  trans-72.381170.1-60.5-70.3000111D220D220-Y223 HydrophobicContact CB-CE2 3.71Å; D220-Y223 WeakPolarHBondContact O-CD2 3.17Å; D220-Y223 WeakPolarHBondContact O-CE2 3.48Å
224D78.2Confident83.1Confident105 Ų10592 Ų9256%0.56150%0.5SS*.  trans-70.8158.3168.6-69.2-22.8000110.5G222 N226 M227 R228G222-D224 PolarHBondContact O-N 2.94Å; D224-N226 PolarHBondContact O-N 3.48Å; D224-M227 PolarHBondContact O-N 2.9Å; D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.16Å
225E82.1Confident84.2Confident173 Ų17391.3 Ų91.381%0.80850%0.496SS*.Hα-helixtrans-52.7-30.2175.7-67.7-175.9169.300112.1R228 A229E225-R228 PolarHBondContact O-N 3.31Å; E225-A229 WeakPolarHBondContact O-CB 3.33Å; E225-A229 PolarHBondContact O-N 3.48Å
226N85.5Confident84.9Confident130 Ų13094.3 Ų94.370%0.69550%0.5SS*.Hα-helixtrans-65.6-44.1176-65-18.6000112.9D224 R228 A229 A230D224-N226 PolarHBondContact O-N 3.48Å; N226-R228 VanDerWaalsContact C-N 3.31Å; N226-A229 PolarHBondContact O-N 3.25Å; N226-A230 WeakPolarHBondContact O-CB 3.42Å; N226-A230 PolarHBondContact O-N 2.9Å
227M85.3Confident85.2Confident112 Ų11297.5 Ų97.555%0.55251%0.514SS*.Hα-helixtrans-67.5-36.5177-68.3-152.4-159.800111G222 D224 A230 A231G222-M227 WeakPolarHBondContact O-CE 3.22Å; D224-M227 PolarHBondContact O-N 2.9Å; M227-A230 PolarHBondContact O-N 2.97Å; M227-A231 WeakPolarHBondContact O-CB 3.4Å; M227-A231 PolarHBondContact O-N 3.4Å
228R86.3Confident85.3Confident167 Ų16797.1 Ų97.163%0.6351%0.505SS*.Hα-helixtrans-61.5-45.4173.1-176.4-178177.1123.92.1111.2D224 E225 N226 A231 L232D224-R228 PolarHBondContact O-N 2.96Å; D224-R228 VanDerWaalsContact O-N 3.16Å; E225-R228 PolarHBondContact O-N 3.31Å; N226-R228 VanDerWaalsContact C-N 3.31Å; R228-A231 PolarHBondContact O-N 2.88Å; R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 WeakPolarHBondContact O-CB 3.17Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.38Å; R228-L232 PolarHBondContact O-N 3.24Å
229A89.3Confident85.2Confident59 Ų5997.8 Ų97.849%0.48852%0.519SS..Hα-helixtrans-63-42.9177.500000111.8E225 N226 L232 A233E225-A229 WeakPolarHBondContact O-CB 3.33Å; E225-A229 PolarHBondContact O-N 3.48Å; N226-A229 PolarHBondContact O-N 3.25Å; A229-L232 PolarHBondContact O-N 3.39Å; A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.1Å
230A90.6Very high85.2Confident55 Ų55102.7 Ų102.746%0.45554%0.542SS..Hα-helixtrans-62.3-45175.800000112.1N226 M227 L232 A233 L234N226-A230 WeakPolarHBondContact O-CB 3.42Å; N226-A230 PolarHBondContact O-N 2.9Å; M227-A230 PolarHBondContact O-N 2.97Å; A230-L232 PolarHBondContact O-N 3.11Å; A230-A233 PolarHBondContact O-N 3.03Å; A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.23Å
231A89.3Confident85.3Confident50 Ų50107.5 Ų107.541%0.41356%0.555SS.*Hα-helixtrans-63.1-41.6176.600000112.1M227 R228 L234 I235M227-A231 WeakPolarHBondContact O-CB 3.4Å; M227-A231 PolarHBondContact O-N 3.4Å; R228-A231 PolarHBondContact O-N 2.88Å; A231-L234 PolarHBondContact O-N 3.01Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.5Å; A231-I235 PolarHBondContact O-N 3.39Å
232L91.6Very high84.9Confident92 Ų92107 Ų10748%0.48255%0.547SS..Hα-helixtrans-64.3-39.2175.8-74.2172.4000112.2R228 A229 A230 I235 E236R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 WeakPolarHBondContact O-CB 3.17Å; R228-L232 VanDerWaalsContact O-CG 3.3Å; R228-L232 WeakPolarHBondContact O-CG 3.38Å; R228-L232 PolarHBondContact O-N 3.24Å; A229-L232 PolarHBondContact O-N 3.39Å; A230-L232 PolarHBondContact O-N 3.11Å; L232-I235 PolarHBondContact O-N 3.35Å; L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 PolarHBondContact O-N 3.17Å
233A91.5Very high84.5Confident47 Ų47110 Ų11039%0.38856%0.559SS.*Hα-helixtrans-62.7-44175.500000111.6A229 A230 I235 E236 E237A229-A233 WeakPolarHBondContact O-CB 3.41Å; A229-A233 PolarHBondContact O-N 3.1Å; A230-A233 PolarHBondContact O-N 3.03Å; A233-I235 VanDerWaalsContact C-N 3.35Å; A233-I235 PolarHBondContact O-N 2.78Å; A233-E236 PolarHBondContact O-N 3.35Å; A233-E237 WeakPolarHBondContact O-CG 3.35Å; A233-E237 PolarHBondContact O-N 3.47Å
234L91.1Very high84.2Confident109 Ų109108.4 Ų108.457%0.57157%0.568SS**Hα-helixtrans-62.4-40.6174.9-68.3172.7000112.1A230 A231 E236 E237 E238A230-L234 WeakPolarHBondContact O-CG 3.49Å; A230-L234 PolarHBondContact O-N 3.23Å; A231-L234 PolarHBondContact O-N 3.01Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-E237 PolarHBondContact O-N 3.21Å; L234-E238 WeakPolarHBondContact O-CG 3.46Å; L234-E238 PolarHBondContact O-N 3.14Å
235I88.1Confident83.3Confident97 Ų97107.9 Ų107.950%0.49757%0.572SS.*Hα-helixtrans-63-41.8174.6-68.3163.4000110.5A231 L232 A233 E238 C239A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.5Å; A231-I235 PolarHBondContact O-N 3.39Å; L232-I235 PolarHBondContact O-N 3.35Å; A233-I235 VanDerWaalsContact C-N 3.35Å; A233-I235 PolarHBondContact O-N 2.78Å; I235-E238 PolarHBondContact O-N 3.17Å; I235-C239 WeakPolarHBondContact O-CB 3.22Å; I235-C239 PolarHBondContact O-N 3.43Å; I235-C239 PolarHBondContact O-SG 2.98Å
236E88.6Confident82.3Confident122 Ų122108.1 Ų108.157%0.5757%0.57SS**Hα-helixtrans-64.8-41.4178.8-169.6173.1-17600111.7L232 A233 L234 E238 C239 Q240L232-E236 WeakPolarHBondContact O-CB 3.28Å; L232-E236 PolarHBondContact O-N 3.17Å; A233-E236 PolarHBondContact O-N 3.35Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 3.22Å; E236-C239 PolarHBondContact O-N 2.93Å; E236-Q240 VanDerWaalsContact O-CG 3.32Å; E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 3.19Å
237E90.2Very high81.3Confident94 Ų94106.2 Ų106.244%0.43956%0.56SS.*Hα-helixtrans-59.6-43172.5-72.8-178.8-172.300111.9A233 L234 Q240 R241A233-E237 WeakPolarHBondContact O-CG 3.35Å; A233-E237 PolarHBondContact O-N 3.47Å; L234-E237 PolarHBondContact O-N 3.21Å; E237-Q240 PolarHBondContact O-N 2.94Å; E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 VanDerWaalsContact O-N 3.17Å
238E85.6Confident80.4Confident78 Ų78109.4 Ų109.436%0.36457%0.567SS.*Hα-helixtrans-67.3-40175.9-73-60.4137.300112.3L234 I235 E236 Q240 R241 Y242L234-E238 WeakPolarHBondContact O-CG 3.46Å; L234-E238 PolarHBondContact O-N 3.14Å; I235-E238 PolarHBondContact O-N 3.17Å; E236-E238 VanDerWaalsContact C-N 3.34Å; E236-E238 PolarHBondContact O-N 3.22Å; E238-Q240 PolarHBondContact O-N 3.49Å; E238-R241 PolarHBondContact O-N 2.84Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-R241 IonicContact OE1-CZ 3.48Å; E238-R241 IonicContact OE1-NE 3.85Å; E238-R241 IonicContact OE1-NH1 2.7Å; E238-R241 PolarHBondContact OE1-NH1 3.27Å; E238-Y242 PolarHBondContact O-N 2.92Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.19Å
239C83.4Confident79.4Confident90 Ų90105.4 Ų105.461%0.60856%0.558SS**Hα-helixtrans-64.3-26.4174-74.10000112.9I235 E236I235-C239 WeakPolarHBondContact O-CB 3.22Å; I235-C239 PolarHBondContact O-N 3.43Å; I235-C239 PolarHBondContact O-SG 2.98Å; E236-C239 PolarHBondContact O-N 2.93Å
240Q84.1Confident78.3Confident147 Ų147111.6 Ų111.669%0.68757%0.569SS**Hα-helixtrans-76.9-33.2173-71.6174.520.500112.4E236 E237 E238E236-Q240 VanDerWaalsContact O-CG 3.32Å; E236-Q240 WeakPolarHBondContact O-CG 3.46Å; E236-Q240 PolarHBondContact O-N 3.19Å; E237-Q240 PolarHBondContact O-N 2.94Å; E238-Q240 PolarHBondContact O-N 3.49Å
241R85Confident77.3Confident162 Ų162115.7 Ų115.761%0.61158%0.583SS**Hα-helixtrans-69.9-38.1179.7-71.9171.3-173.6-177.20.9112.6E237 E238E237-R241 WeakPolarHBondContact O-CG 3.36Å; E237-R241 PolarHBondContact O-N 3.25Å; E237-R241 VanDerWaalsContact O-N 3.17Å; E238-R241 PolarHBondContact O-N 2.84Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-R241 IonicContact OE1-CZ 3.48Å; E238-R241 IonicContact OE1-NE 3.85Å; E238-R241 IonicContact OE1-NH1 2.7Å; E238-R241 PolarHBondContact OE1-NH1 3.27Å
242Y70.2Confident76.2Confident162 Ų162118 Ų11864%0.63559%0.587SS**SBendtrans-109.5119.7-176.2-62.9-73.6000111.6E238E238-Y242 PolarHBondContact O-N 2.92Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.19Å
243P66.1Low75.1Confident102 Ų102118.8 Ų118.866%0.66260%0.597SS**  trans-59.1141.6167.325.1-31.4000108.8S245P243-S245 VanDerWaalsContact C-N 3.31Å; P243-S245 PolarHBondContact O-N 3.48Å
244P66.8Low73.9Confident124 Ų124122 Ų12281%0.80562%0.616SS**  trans-63.390.3-177.124.3-32.9000110.3
245S58.2Low72.7Confident93 Ų93122.6 Ų122.665%0.6563%0.625SS**  trans-88.6-13.7-169.267.30000113.2P243P243-S245 VanDerWaalsContact C-N 3.31Å; P243-S245 PolarHBondContact O-N 3.48Å
246K61.3Low71.8Confident178 Ų178121.1 Ų121.177%0.77462%0.623SS**  trans-119.998.4175.1-65.1-179.1-178.7-179.20108.5Y248K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 3.34Å
247N64.1Low70.9Confident90 Ų90122.2 Ų122.248%0.48163%0.632SS.*  trans-61.198.4160.8-99.8-10.1000106.6L249 R250N247-L249 PolarHBondContact O-N 3.42Å; N247-R250 HydrophobicContact CB-CG 3.77Å; N247-R250 WeakPolarHBondContact O-CB 3.35Å; N247-R250 PolarHBondContact O-N 2.88Å
248Y67.5Low69.9Low179 Ų179122.4 Ų122.470%0.70264%0.636SS**THydrogen-bonded Turntrans-55.8-12.1170.259.8-91.7000112.4K246K246-Y248 VanDerWaalsContact C-N 3.26Å; K246-Y248 PolarHBondContact O-N 3.34Å
249L65.6Low69.3Low83 Ų83124.5 Ų124.544%0.43565%0.649SS.*THydrogen-bonded Turntrans-83.4-9.7175-59.5171.1000114.1N247 D251 M252N247-L249 PolarHBondContact O-N 3.42Å; L249-D251 VanDerWaalsContact C-N 3.31Å; L249-D251 PolarHBondContact O-N 3.38Å; L249-M252 HydrophobicContact CD2-CE 3.38Å; L249-M252 PolarHBondContact O-N 3.39Å
250R66.6Low68.8Low189 Ų189128.5 Ų128.571%0.71366%0.656SS**THydrogen-bonded Turntrans-65.6-34.6-178.7-78.8178.7-176.9-179.33.8112.7N247 M252N247-R250 HydrophobicContact CB-CG 3.77Å; N247-R250 WeakPolarHBondContact O-CB 3.35Å; N247-R250 PolarHBondContact O-N 2.88Å; R250-M252 VanDerWaalsContact C-N 3.33Å
251D69.4Low68.4Low141 Ų141123.2 Ų123.275%0.75463%0.633SS**THydrogen-bonded Turntrans-88.1-6.8-176.6-53.6-36.2000112.2L249L249-D251 VanDerWaalsContact C-N 3.31Å; L249-D251 PolarHBondContact O-N 3.38Å
252M65.7Low68.4Low100 Ų100118.9 Ų118.949%0.49362%0.624SS.*SBendtrans-82.6131.5172.3-76.6-149-79.800110.1L249 R250 S254L249-M252 HydrophobicContact CD2-CE 3.38Å; L249-M252 PolarHBondContact O-N 3.39Å; R250-M252 VanDerWaalsContact C-N 3.33Å; M252-S254 PolarHBondContact O-N 3.25Å
253P67.8Low69.1Low107 Ų107115.9 Ų115.970%0.69563%0.625SS**  trans-57.7129.8171.724.6-31.9000108.4T255P253-T255 PolarHBondContact O-N 2.88Å
254S65.8Low70Confident114 Ų114115.9 Ų115.980%0.79762%0.622SS**  trans-56.6115.9174.952.20000108.4M252 S256M252-S254 PolarHBondContact O-N 3.25Å; S254-S256 PolarHBondContact O-N 2.92Å
255T67.6Low70.9Confident123 Ų123113.9 Ų113.976%0.75561%0.605SS**  trans-62.8105.717322.40000107.6P253 L257P253-T255 PolarHBondContact O-N 2.88Å; T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 3.46Å
256S68.3Low72.1Confident66 Ų66115.1 Ų115.146%0.46260%0.595SS.*  trans-66.795.8169.443.40000108S254 D258 I259S254-S256 PolarHBondContact O-N 2.92Å; S256-D258 PolarHBondContact O-N 3.33Å; S256-I259 WeakPolarHBondContact O-CG1 3.33Å; S256-I259 PolarHBondContact O-N 2.68Å; S256-I259 WeakPolarHBondContact OG-CD1 3.2Å; S256-I259 VanDerWaalsContact OG-CG1 3.3Å; S256-I259 WeakPolarHBondContact OG-CG1 3.45Å
257L69.2Low73.3Confident144 Ų144111.3 Ų111.375%0.75458%0.583SS**G310 helixtrans-57.9-17.2172.4-63.2171.4000111.4T255 I259T255-L257 VanDerWaalsContact C-N 3.31Å; T255-L257 PolarHBondContact O-N 3.46Å; L257-I259 PolarHBondContact O-N 3.21Å
258D70.3Confident74.2Confident98 Ų98110.5 Ų110.552%0.52458%0.577SS.*G310 helixtrans-77.5-12.5-176.2-63.22.7000114.9S256 F260 L261S256-D258 PolarHBondContact O-N 3.33Å; D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.1Å; D258-L261 HydrophobicContact CB-CD1 3.91Å; D258-L261 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact OD1-CD1 3.32Å
259I73.4Confident75Confident123 Ų123107.3 Ų107.363%0.63157%0.569SS**G310 helixtrans-57.7-30-179.6-64165.6000111.3S256 L257S256-I259 WeakPolarHBondContact O-CG1 3.33Å; S256-I259 PolarHBondContact O-N 2.68Å; S256-I259 WeakPolarHBondContact OG-CD1 3.2Å; S256-I259 VanDerWaalsContact OG-CG1 3.3Å; S256-I259 WeakPolarHBondContact OG-CG1 3.45Å; L257-I259 PolarHBondContact O-N 3.21Å
260F72.3Confident76.1Confident173 Ų173108.5 Ų108.576%0.75957%0.572SS**G310 helixtrans-104.14.3-178.3-56.9-73.4000113.9D258 T262D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.1Å; F260-T262 PolarHBondContact O-N 2.81Å
261L75.3Confident77.2Confident37 Ų37101.9 Ų101.919%0.19455%0.548CS..  trans-74.598.2178.1-73175.6000110.2D258 L265 M269D258-L261 HydrophobicContact CB-CD1 3.91Å; D258-L261 PolarHBondContact O-N 2.84Å; D258-L261 WeakPolarHBondContact OD1-CD1 3.32Å; L261-L265 HydrophobicContact CD2-CB 3.93Å; L261-M269 HydrophobicContact CD1-SD 4.47Å; L261-M269 HydrophobicContact CD2-SD 3.5Å; L261-M269 VanDerWaalsContact CD2-SD 3.5Å
262T84.1Confident78Confident70 Ų7099.9 Ų99.943%0.42954%0.54SS..  trans-63.7155.516460.20000109.9F260 V264 L265 R266F260-T262 PolarHBondContact O-N 2.81Å; T262-V264 PolarHBondContact O-N 2.97Å; T262-V264 VanDerWaalsContact O-N 3.1Å; T262-L265 WeakPolarHBondContact O-CA 3.24Å; T262-L265 WeakPolarHBondContact O-CB 3.37Å; T262-L265 PolarHBondContact O-N 2.7Å; T262-L265 PolarHBondContact OG1-N 3.25Å; T262-R266 PolarHBondContact O-N 3.5Å
263P85.7Confident79.1Confident100 Ų100103.4 Ų103.465%0.64956%0.555SS**Hα-helixtrans-52.8-34.8176.3-26.734.1000112.8R266 N267P263-R266 PolarHBondContact O-N 3.37Å; P263-N267 VanDerWaalsContact O-CG 3.32Å; P263-N267 PolarHBondContact O-N 2.95Å; P263-N267 VanDerWaalsContact O-N 3.16Å; P263-N267 PolarHBondContact O-OD1 2.84Å
264V85.7Confident80.1Confident101 Ų101101.4 Ų101.461%0.61254%0.544SS*.Hα-helixtrans-64.1-47.7174.7-178.30000111.2T262 R266 N267 E268T262-V264 PolarHBondContact O-N 2.97Å; T262-V264 VanDerWaalsContact O-N 3.1Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 2.98Å; V264-N267 PolarHBondContact O-N 3.46Å; V264-E268 HydrophobicContact CG1-CG 4.43Å; V264-E268 WeakPolarHBondContact O-CG 3.49Å; V264-E268 PolarHBondContact O-N 3.18Å
265L84.4Confident81Confident83 Ų8398.9 Ų98.944%0.43554%0.536SS..Hα-helixtrans-62.7-38.1178.2-101.1152.7000112.4L261 T262 E268 M269L261-L265 HydrophobicContact CD2-CB 3.93Å; T262-L265 WeakPolarHBondContact O-CA 3.24Å; T262-L265 WeakPolarHBondContact O-CB 3.37Å; T262-L265 PolarHBondContact O-N 2.7Å; T262-L265 PolarHBondContact OG1-N 3.25Å; L265-E268 PolarHBondContact O-N 2.98Å; L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 3.3Å
266R84.7Confident81.8Confident118 Ų118101.5 Ų101.545%0.44553%0.532SS..Hα-helixtrans-60-50.2174.9-170.1-178.3-62.3-92.6-4111.2T262 P263 V264 E268 M269 E270T262-R266 PolarHBondContact O-N 3.5Å; P263-R266 PolarHBondContact O-N 3.37Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 2.98Å; R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.46Å; R266-M269 PolarHBondContact O-N 3.39Å; R266-E270 WeakPolarHBondContact O-CG 3.07Å; R266-E270 PolarHBondContact O-N 3.05Å
267N85.7Confident82.3Confident99 Ų99104 Ų10453%0.52955%0.547SS..Hα-helixtrans-61.6-36.6177.1-67-1.6000112.3P263 V264 R271P263-N267 VanDerWaalsContact O-CG 3.32Å; P263-N267 PolarHBondContact O-N 2.95Å; P263-N267 VanDerWaalsContact O-N 3.16Å; P263-N267 PolarHBondContact O-OD1 2.84Å; V264-N267 PolarHBondContact O-N 3.46Å; N267-R271 WeakPolarHBondContact O-CB 3.49Å; N267-R271 PolarHBondContact O-N 2.92Å
268E83.4Confident82.9Confident73 Ų73103.5 Ų103.534%0.34154%0.542SS..Hα-helixtrans-67-40.4176.1-71-73.1128.600112.1V264 L265 R266 R271 V272V264-E268 HydrophobicContact CG1-CG 4.43Å; V264-E268 WeakPolarHBondContact O-CG 3.49Å; V264-E268 PolarHBondContact O-N 3.18Å; L265-E268 PolarHBondContact O-N 2.98Å; R266-E268 VanDerWaalsContact C-N 3.28Å; R266-E268 PolarHBondContact O-N 3.46Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R271 IonicContact OE1-CZ 2.64Å; E268-R271 IonicContact OE1-NH1 2.74Å; E268-R271 PolarHBondContact OE1-NH1 2.85Å; E268-R271 IonicContact OE2-CZ 3.49Å; E268-R271 IonicContact OE2-NH1 3.34Å; E268-R271 PolarHBondContact OE2-NH1 3.46Å; E268-R271 IonicContact OE2-NH2 2.79Å; E268-R271 PolarHBondContact OE2-NH2 2.84Å; E268-V272 VanDerWaalsContact O-CG2 3.28Å; E268-V272 WeakPolarHBondContact O-CG2 3.41Å; E268-V272 PolarHBondContact O-N 3.42Å
269M84.5Confident83.3Confident111 Ų111107.2 Ų107.255%0.54756%0.557SS.*Hα-helixtrans-66.5-43.2175.6-70.8-170.781.500111.5L261 L265 R266 R271 V272 E273L261-M269 HydrophobicContact CD1-SD 4.47Å; L261-M269 HydrophobicContact CD2-SD 3.5Å; L261-M269 VanDerWaalsContact CD2-SD 3.5Å; L265-M269 WeakPolarHBondContact O-CG 3.4Å; L265-M269 PolarHBondContact O-N 3.3Å; R266-M269 PolarHBondContact O-N 3.39Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 2.7Å; M269-V272 PolarHBondContact O-N 3.4Å; M269-V272 VanDerWaalsContact O-N 3.15Å; M269-E273 WeakPolarHBondContact O-CB 3.33Å; M269-E273 PolarHBondContact O-N 3.26Å
270E87.7Confident83.7Confident108 Ų108109.4 Ų109.451%0.50557%0.569SS.*Hα-helixtrans-60.5-38.8172.9-72174.4-168.300111.9R266 S274R266-E270 WeakPolarHBondContact O-CG 3.07Å; R266-E270 PolarHBondContact O-N 3.05Å; E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.07Å; E270-S274 PolarHBondContact O-OG 3.35Å
271R90.2Very high83.9Confident51 Ų51108.1 Ų108.119%0.19257%0.569CS.*Hα-helixtrans-63.9-42.1174.3-169.2-163.568.8-134.6-15.5111.8N267 E268 M269 S274 G275 R276N267-R271 WeakPolarHBondContact O-CB 3.49Å; N267-R271 PolarHBondContact O-N 2.92Å; E268-R271 WeakPolarHBondContact O-CB 3.39Å; E268-R271 PolarHBondContact O-N 2.9Å; E268-R271 IonicContact OE1-CZ 2.64Å; E268-R271 IonicContact OE1-NH1 2.74Å; E268-R271 PolarHBondContact OE1-NH1 2.85Å; E268-R271 IonicContact OE2-CZ 3.49Å; E268-R271 IonicContact OE2-NH1 3.34Å; E268-R271 PolarHBondContact OE2-NH1 3.46Å; E268-R271 IonicContact OE2-NH2 2.79Å; E268-R271 PolarHBondContact OE2-NH2 2.84Å; M269-R271 VanDerWaalsContact C-N 3.3Å; M269-R271 PolarHBondContact O-N 2.7Å; R271-S274 WeakPolarHBondContact CA-OG 3.42Å; R271-S274 PolarHBondContact O-OG 2.78Å; R271-G275 PolarHBondContact O-N 2.79Å; R271-R276 HydrophobicContact CG-CB 3.74Å; R271-R276 PolarHBondContact O-N 3.34Å
272V86.5Confident83.7Confident99 Ų99111.8 Ų111.860%0.659%0.589SS**Hα-helixtrans-68.6-42.2179.1170.20000111E268 M269 S274 G275E268-V272 VanDerWaalsContact O-CG2 3.28Å; E268-V272 WeakPolarHBondContact O-CG2 3.41Å; E268-V272 PolarHBondContact O-N 3.42Å; M269-V272 PolarHBondContact O-N 3.4Å; M269-V272 VanDerWaalsContact O-N 3.15Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.28Å; V272-G275 WeakPolarHBondContact O-CA 2.8Å; V272-G275 PolarHBondContact O-N 3.05Å
273E88.1Confident83.3Confident173 Ų173113.5 Ų113.581%0.80859%0.593SS**Hα-helixtrans-63.9-38.8176.4-171.3172-164.900111.8M269 G275M269-E273 WeakPolarHBondContact O-CB 3.33Å; M269-E273 PolarHBondContact O-N 3.26Å; E273-G275 PolarHBondContact O-N 3.33Å
274S88.5Confident82.4Confident65 Ų65115.5 Ų115.546%0.45559%0.592SS.*THydrogen-bonded Turntrans-76.71172.258.80000114.4E270 R271 V272 R276E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 3.07Å; E270-S274 PolarHBondContact O-OG 3.35Å; R271-S274 WeakPolarHBondContact CA-OG 3.42Å; R271-S274 PolarHBondContact O-OG 2.78Å; V272-S274 VanDerWaalsContact C-N 3.33Å; V272-S274 PolarHBondContact O-N 3.28Å; S274-R276 PolarHBondContact O-N 3.41Å
275G85.6Confident81.6Confident62 Ų62116.9 Ų116.964%0.63959%0.586SS**THydrogen-bonded Turntrans64.717.4176.300000114.9R271 V272 E273R271-G275 PolarHBondContact O-N 2.79Å; V272-G275 WeakPolarHBondContact O-CA 2.8Å; V272-G275 PolarHBondContact O-N 3.05Å; E273-G275 PolarHBondContact O-N 3.33Å
276R83.5Confident81Confident178 Ų178120.5 Ų120.567%0.67260%0.595SS**PPolyproline II helixtrans-76.3127.2-178.1-67.9178.8-176.4173.83.4110.2R271 S274R271-R276 HydrophobicContact CG-CB 3.74Å; R271-R276 PolarHBondContact O-N 3.34Å; S274-R276 PolarHBondContact O-N 3.41Å
277P79.6Confident80.7Confident119 Ų119120.2 Ų120.277%0.77360%0.599SS**PPolyproline II helixtrans-63.8148.2175.726.5-32.6000110.7
278M81.5Confident80.4Confident132 Ų132121.1 Ų121.165%0.6560%0.603SS**PPolyproline II helixtrans-63.7136.2179.6-175.1179.7-73.800110.9L280M278-L280 PolarHBondContact O-N 3.14Å
279E79.3Confident80.2Confident176 Ų176120.9 Ų120.982%0.82261%0.607SS**PPolyproline II helixtrans-64.5128.9171.8-67.3-175.9177.500109.9L281E279-L281 PolarHBondContact O-N 2.79Å
280L81.6Confident80.1Confident170 Ų170118.2 Ų118.289%0.8961%0.608SS**PPolyproline II helixtrans-65.7129.9177.4-68.3168.6000109.4M278 N282M278-L280 PolarHBondContact O-N 3.14Å; L280-N282 PolarHBondContact O-N 3.47Å; L280-N282 VanDerWaalsContact O-N 3.15Å
281L76.7Confident80Confident145 Ų145113.7 Ų113.776%0.75959%0.589SS**PPolyproline II helixtrans-54.6121.1174.2-69.8171.4000110.1E279 M283E279-L281 PolarHBondContact O-N 2.79Å; L281-M283 HydrophobicContact CB-CE 3.75Å; L281-M283 HydrophobicContact CD1-CE 4.25Å; L281-M283 PolarHBondContact O-N 3.43Å
282N69.8Low79.7Confident115 Ų115115.1 Ų115.162%0.61561%0.605SS**  trans-73.999.8-179.1-169.71.7000110.6L280 K284L280-N282 PolarHBondContact O-N 3.47Å; L280-N282 VanDerWaalsContact O-N 3.15Å; N282-K284 PolarHBondContact O-N 3.2Å; N282-K284 WeakPolarHBondContact OD1-CB 3.27Å; N282-K284 VanDerWaalsContact OD1-CG 3.25Å; N282-K284 WeakPolarHBondContact OD1-CG 3.3Å; N282-K284 PolarHBondContact OD1-N 2.96Å
283M75.7Confident79.6Confident105 Ų105114.6 Ų114.652%0.51761%0.61SS.*G310 helixtrans-76.2-9.6178.6-59.9-5917200113.3L281 R285 Y286L281-M283 HydrophobicContact CB-CE 3.75Å; L281-M283 HydrophobicContact CD1-CE 4.25Å; L281-M283 PolarHBondContact O-N 3.43Å; M283-R285 PolarHBondContact O-N 3.31Å; M283-R285 VanDerWaalsContact O-N 3.11Å; M283-Y286 PolarHBondContact O-N 2.83Å; M283-Y286 HydrophobicContact SD-CD2 4.33Å; M283-Y286 HydrophobicContact SD-CE2 4.31Å
284K67.7Low79.5Confident143 Ų143110.9 Ų110.962%0.62261%0.61SS**G310 helixtrans-61.4-22.4-178.1-63.5179.1179.3179.30113.1N282 Y286 E287N282-K284 PolarHBondContact O-N 3.2Å; N282-K284 WeakPolarHBondContact OD1-CB 3.27Å; N282-K284 VanDerWaalsContact OD1-CG 3.25Å; N282-K284 WeakPolarHBondContact OD1-CG 3.3Å; N282-K284 PolarHBondContact OD1-N 2.96Å; K284-Y286 PolarHBondContact O-N 3.17Å; K284-E287 PolarHBondContact O-N 3.01Å; K284-E287 VanDerWaalsContact O-N 3.17Å
285R68.5Low79.3Confident130 Ų130113 Ų11349%0.49161%0.611SS.*G310 helixtrans-60.5-32.4175.1-176.3179.7-179.6172.16.4112.9M283 E287 H315M283-R285 PolarHBondContact O-N 3.31Å; M283-R285 VanDerWaalsContact O-N 3.11Å; R285-E287 VanDerWaalsContact C-N 3.31Å; R285-H315 PolarHBondContact NH2-CE1 3.29Å; R285-H315 VanDerWaalsContact NH2-CE1 3.33Å; R285-H315 PolarHBondContact NH2-NE2 3.36Å
286Y71.6Confident79Confident158 Ų158115.8 Ų115.862%0.6261%0.607SS**G310 helixtrans-88-6.8-179.5-57-65.8000112.9M283 K284M283-Y286 PolarHBondContact O-N 2.83Å; M283-Y286 HydrophobicContact SD-CD2 4.33Å; M283-Y286 HydrophobicContact SD-CE2 4.31Å; K284-Y286 PolarHBondContact O-N 3.17Å
287E79.5Confident79.1Confident113 Ų113112.8 Ų112.853%0.52861%0.613SS.*SBendtrans-95.3150.5174.8-61.5179.9172.300108.7K284 R285 P289 N308K284-E287 PolarHBondContact O-N 3.01Å; K284-E287 VanDerWaalsContact O-N 3.17Å; R285-E287 VanDerWaalsContact C-N 3.31Å; E287-P289 WeakPolarHBondContact O-CD 3.48Å; E287-N308 PolarHBondContact O-ND2 3.17Å; E287-N308 VanDerWaalsContact O-ND2 3.08Å
288L78.5Confident79.6Confident118 Ų118109.9 Ų109.962%0.61859%0.591SS**  trans-105.764.8170.2-73.4159.2000108.8G290 Q312L288-G290 PolarHBondContact O-N 3.34Å; L288-Q312 HydrophobicContact CD1-CG 4.46Å; L288-Q312 HydrophobicContact CD2-CB 4.14Å; L288-Q312 HydrophobicContact CD2-CG 4.2Å; L288-Q312 HydrophobicContact CG-CG 4.34Å
289P80.4Confident80Confident67 Ų67109.3 Ų109.344%0.43559%0.59SS.*PPolyproline II helixtrans-68.5135.3176.531-33.7000109E287E287-P289 WeakPolarHBondContact O-CD 3.48Å
290G82.5Confident80.6Confident55 Ų55104.4 Ų104.457%0.56757%0.572SS**PPolyproline II helixtrans-66167160.300000110.7L288L288-G290 PolarHBondContact O-N 3.34Å
291P84.4Confident80.9Confident14 Ų1496.7 Ų96.79%0.09153%0.532CS..PPolyproline II helixtrans-57143.6174.123.9-32.2000110.4S301 W302P291-S301 WeakPolarHBondContact CB-OG 3.46Å; P291-W302 HydrophobicContact CG-CD2 3.71Å; P291-W302 HydrophobicContact CG-CE3 3.97Å; P291-W302 HydrophobicContact CG-CG 4.32Å; P291-W302 HydrophobicContact CG-CH2 3.88Å; P291-W302 HydrophobicContact CG-CZ2 3.61Å; P291-W302 HydrophobicContact CG-CZ3 4.05Å
292P84.6Confident81.5Confident81 Ų8196 Ų9653%0.52652%0.519SS..PPolyproline II helixtrans-52.5145.4178.1-23.131000111.2A294 K295 Q296P292-A294 PolarHBondContact O-N 3.28Å; P292-K295 PolarHBondContact O-N 3.49Å; P292-Q296 PolarHBondContact O-N 2.86Å
293A84.6Confident82.6Confident87 Ų8796.5 Ų96.572%0.71952%0.518SS*.G310 helixtrans-52-32.2-17800000113.5K295A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 3.19Å
294A84.7Confident83.2Confident96 Ų9698 Ų9879%0.79352%0.524SS*.G310 helixtrans-73.5-18.3177.300000114.9P292P292-A294 PolarHBondContact O-N 3.28Å
295K83.9Confident84.2Confident109 Ų10992.3 Ų92.347%0.47450%0.503SS..G310 helixtrans-114.213.7-174.9-64.7-167.1177.1-168.30113.4P292 A293 S297 D298 S301P292-K295 PolarHBondContact O-N 3.49Å; A293-K295 VanDerWaalsContact C-N 3.34Å; A293-K295 PolarHBondContact O-N 3.19Å; K295-S297 PolarHBondContact O-N 3.26Å; K295-S297 VanDerWaalsContact O-N 3.14Å; K295-D298 HydrophobicContact CB-CB 4.37Å; K295-D298 WeakPolarHBondContact O-CB 3.49Å; K295-D298 PolarHBondContact O-N 3.24Å; K295-S301 PolarHBondContact O-OG 3.2Å
296Q80.6Confident85.2Confident120 Ų12089.4 Ų89.456%0.56150%0.5SS*.THydrogen-bonded Turntrans-63.3-21.9-177.1-70.7-177.2-6.600114.1P292 W302P292-Q296 PolarHBondContact O-N 2.86Å; Q296-W302 PolarHBondContact O-NE1 3.32Å
297S85.2Confident86.1Confident116 Ų11684.4 Ų84.481%0.81149%0.491SS*.THydrogen-bonded Turntrans-83.2-1317452.30000114K295K295-S297 PolarHBondContact O-N 3.26Å; K295-S297 VanDerWaalsContact O-N 3.14Å
298D90Very high86.5Confident57 Ų5780.7 Ų80.731%0.30548%0.475SS..  trans-89.2115.1-174.6-179.38000110.7K295 T300 S301K295-D298 HydrophobicContact CB-CB 4.37Å; K295-D298 WeakPolarHBondContact O-CB 3.49Å; K295-D298 PolarHBondContact O-N 3.24Å; D298-T300 PolarHBondContact O-N 2.91Å; D298-T300 PolarHBondContact OD1-N 3.04Å; D298-T300 VanDerWaalsContact OD1-N 3.08Å; D298-T300 PolarHBondContact OD1-OG1 2.88Å; D298-T300 PolarHBondContact OD2-OG1 2.93Å; D298-S301 PolarHBondContact O-N 3.05Å; D298-S301 PolarHBondContact O-OG 3.29Å
299I91Very high87Confident121 Ų12177.4 Ų77.462%0.62146%0.462SS*.Hα-helixtrans-59.8-34.5-179.3-61169.8000111.2S301 W302 Q303I299-S301 PolarHBondContact O-N 3.05Å; I299-W302 PolarHBondContact O-N 3.16Å; I299-Q303 HydrophobicContact CG2-CG 4.44Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.01Å
300T91.5Very high87.5Confident73 Ų7380.6 Ų80.645%0.44847%0.469SS..Hα-helixtrans-65.4-41.4-177.764.70000111.4D298 W302 Q303 E304D298-T300 PolarHBondContact O-N 2.91Å; D298-T300 PolarHBondContact OD1-N 3.04Å; D298-T300 VanDerWaalsContact OD1-N 3.08Å; D298-T300 PolarHBondContact OD1-OG1 2.88Å; D298-T300 PolarHBondContact OD2-OG1 2.93Å; T300-W302 VanDerWaalsContact C-N 3.28Å; T300-W302 PolarHBondContact O-N 2.78Å; T300-Q303 WeakPolarHBondContact O-CB 3.46Å; T300-Q303 PolarHBondContact O-N 3.31Å; T300-Q303 VanDerWaalsContact O-N 3.12Å; T300-E304 PolarHBondContact O-N 3.12Å
301S88.3Confident87.9Confident7 Ų781 Ų815%0.04946%0.46CS..Hα-helixtrans-64.3-31.8177.177.80000113.1P291 K295 D298 I299 A305P291-S301 WeakPolarHBondContact CB-OG 3.46Å; K295-S301 PolarHBondContact O-OG 3.2Å; D298-S301 PolarHBondContact O-N 3.05Å; D298-S301 PolarHBondContact O-OG 3.29Å; I299-S301 PolarHBondContact O-N 3.05Å; S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 2.97Å
302W89.2Confident88.1Confident130 Ų13081.5 Ų81.549%0.49246%0.462SS..Hα-helixtrans-72-39.4172.4-77.3103.9000112.1P291 Q296 I299 T300 E304 A305 V306P291-W302 HydrophobicContact CG-CD2 3.71Å; P291-W302 HydrophobicContact CG-CE3 3.97Å; P291-W302 HydrophobicContact CG-CG 4.32Å; P291-W302 HydrophobicContact CG-CH2 3.88Å; P291-W302 HydrophobicContact CG-CZ2 3.61Å; P291-W302 HydrophobicContact CG-CZ3 4.05Å; Q296-W302 PolarHBondContact O-NE1 3.32Å; I299-W302 PolarHBondContact O-N 3.16Å; T300-W302 VanDerWaalsContact C-N 3.28Å; T300-W302 PolarHBondContact O-N 2.78Å; W302-E304 VanDerWaalsContact C-N 3.32Å; W302-E304 PolarHBondContact O-N 3.34Å; W302-A305 PolarHBondContact O-N 3.21Å; W302-V306 WeakPolarHBondContact O-CB 3.36Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.32Å; W302-V306 PolarHBondContact O-N 3.46Å
303Q92.2Very high88.4Confident127 Ų12782.6 Ų82.659%0.59346%0.462SS*.Hα-helixtrans-61.2-42174.2-70.9175.1-11.700111.4I299 T300 V306 A307I299-Q303 HydrophobicContact CG2-CG 4.44Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.01Å; T300-Q303 WeakPolarHBondContact O-CB 3.46Å; T300-Q303 PolarHBondContact O-N 3.31Å; T300-Q303 VanDerWaalsContact O-N 3.12Å; Q303-V306 PolarHBondContact O-N 3.31Å; Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 2.94Å
304E88.2Confident88.9Confident137 Ų13783.9 Ų83.964%0.6445%0.454SS*.Hα-helixtrans-62.8-44.8174.2-71178.9173.900112.2T300 W302 V306 A307 N308T300-E304 PolarHBondContact O-N 3.12Å; W302-E304 VanDerWaalsContact C-N 3.32Å; W302-E304 PolarHBondContact O-N 3.34Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 3.04Å; E304-A307 PolarHBondContact O-N 3.32Å; E304-N308 WeakPolarHBondContact O-CB 3.41Å; E304-N308 PolarHBondContact O-N 3.29Å
305A88.2Confident89.2Confident23 Ų2382.5 Ų82.519%0.1943%0.431CS..Hα-helixtrans-63.9-39177.500000112.2S301 W302 N308 S309S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 2.97Å; W302-A305 PolarHBondContact O-N 3.21Å; A305-N308 PolarHBondContact O-N 3.1Å; A305-S309 PolarHBondContact O-N 3.28Å
306V90.3Very high89.5Confident68 Ų6880.6 Ų80.641%0.41242%0.423SS..Hα-helixtrans-69.2-39.1174.5170.70000111.5W302 Q303 E304 S309 K310W302-V306 WeakPolarHBondContact O-CB 3.36Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.32Å; W302-V306 PolarHBondContact O-N 3.46Å; Q303-V306 PolarHBondContact O-N 3.31Å; E304-V306 VanDerWaalsContact C-N 3.34Å; E304-V306 PolarHBondContact O-N 3.04Å; V306-S309 WeakPolarHBondContact CA-OG 3.21Å; V306-S309 PolarHBondContact O-N 3.19Å; V306-S309 PolarHBondContact O-OG 3.35Å; V306-K310 HydrophobicContact CG1-CD 4.37Å; V306-K310 WeakPolarHBondContact O-CG 3.15Å; V306-K310 PolarHBondContact O-N 3.49Å
307A90.4Very high90.2Very high53 Ų5378.8 Ų78.844%0.43842%0.417SS..Hα-helixtrans-62.6-46.4174.400000110.5Q303 E304 S309 K310 T311Q303-A307 WeakPolarHBondContact O-CB 3.46Å; Q303-A307 PolarHBondContact O-N 2.94Å; E304-A307 PolarHBondContact O-N 3.32Å; A307-S309 VanDerWaalsContact C-N 3.35Å; A307-S309 PolarHBondContact O-N 3.29Å; A307-K310 PolarHBondContact O-N 3.23Å; A307-T311 WeakPolarHBondContact O-CG2 3.3Å; A307-T311 PolarHBondContact O-N 3.03Å; A307-T311 PolarHBondContact O-OG1 3.31Å
308N88.4Confident90.7Very high36 Ų3677.8 Ų77.819%0.19340%0.402CS..Hα-helixtrans-59.1-44.9175.4-172.337.2000111.5E287 E304 A305 K310 T311 Q312E287-N308 PolarHBondContact O-ND2 3.17Å; E287-N308 VanDerWaalsContact O-ND2 3.08Å; E304-N308 WeakPolarHBondContact O-CB 3.41Å; E304-N308 PolarHBondContact O-N 3.29Å; A305-N308 PolarHBondContact O-N 3.1Å; N308-K310 PolarHBondContact O-N 2.95Å; N308-T311 WeakPolarHBondContact CA-OG1 3.44Å; N308-T311 PolarHBondContact O-N 3.36Å; N308-T311 PolarHBondContact O-OG1 2.81Å; N308-Q312 WeakPolarHBondContact O-CB 3.23Å; N308-Q312 PolarHBondContact O-N 3.01Å
309S88.3Confident90.9Very high49 Ų4982 Ų8234%0.34341%0.414SS..Hα-helixtrans-63.7-40.7178.772.50000113A305 V306 A307 Q312 L313A305-S309 PolarHBondContact O-N 3.28Å; V306-S309 WeakPolarHBondContact CA-OG 3.21Å; V306-S309 PolarHBondContact O-N 3.19Å; V306-S309 PolarHBondContact O-OG 3.35Å; A307-S309 VanDerWaalsContact C-N 3.35Å; A307-S309 PolarHBondContact O-N 3.29Å; S309-Q312 PolarHBondContact O-N 3.28Å; S309-L313 PolarHBondContact O-N 3.44Å
310K91.8Very high91.1Very high134 Ų13480.3 Ų80.358%0.58341%0.405SS*.Hα-helixtrans-60.8-48.4172.2-73.9178.1179.6-175.70111.4V306 A307 N308 Q312 L313 E314V306-K310 HydrophobicContact CG1-CD 4.37Å; V306-K310 WeakPolarHBondContact O-CG 3.15Å; V306-K310 PolarHBondContact O-N 3.49Å; A307-K310 PolarHBondContact O-N 3.23Å; N308-K310 PolarHBondContact O-N 2.95Å; K310-Q312 PolarHBondContact O-N 3.49Å; K310-L313 WeakPolarHBondContact O-CB 3.47Å; K310-L313 PolarHBondContact O-N 3.1Å; K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.18Å; K310-E314 VanDerWaalsContact O-N 3.09Å
311T89.7Confident91.4Very high63 Ų6380.9 Ų80.939%0.38741%0.405SS..Hα-helixtrans-59.9-37.6177.5600000112A307 N308 E314 H315A307-T311 WeakPolarHBondContact O-CG2 3.3Å; A307-T311 PolarHBondContact O-N 3.03Å; A307-T311 PolarHBondContact O-OG1 3.31Å; N308-T311 WeakPolarHBondContact CA-OG1 3.44Å; N308-T311 PolarHBondContact O-N 3.36Å; N308-T311 PolarHBondContact O-OG1 2.81Å; T311-E314 PolarHBondContact O-N 3.11Å; T311-H315 WeakPolarHBondContact O-CB 3.45Å; T311-H315 PolarHBondContact O-CD2 3.27Å; T311-H315 PolarHBondContact O-N 3.15Å
312Q89.3Confident91.8Very high25 Ų2585.1 Ų85.112%0.11743%0.427CS..Hα-helixtrans-70-35.9178.8-176.664.5-2.500112.4L288 N308 S309 K310 H315 Q316L288-Q312 HydrophobicContact CD1-CG 4.46Å; L288-Q312 HydrophobicContact CD2-CB 4.14Å; L288-Q312 HydrophobicContact CD2-CG 4.2Å; L288-Q312 HydrophobicContact CG-CG 4.34Å; N308-Q312 WeakPolarHBondContact O-CB 3.23Å; N308-Q312 PolarHBondContact O-N 3.01Å; S309-Q312 PolarHBondContact O-N 3.28Å; K310-Q312 PolarHBondContact O-N 3.49Å; Q312-H315 PolarHBondContact O-N 2.83Å; Q312-Q316 VanDerWaalsContact NE2-NE2 3.14Å; Q312-Q316 WeakPolarHBondContact O-CG 3.24Å; Q312-Q316 PolarHBondContact O-N 2.8Å
313L91.4Very high92.1Very high103 Ų10382.9 Ų82.954%0.53943%0.425SS..Hα-helixtrans-59.8-53.5173-177.267.6000110.3S309 K310 H315 Q316 D317S309-L313 PolarHBondContact O-N 3.44Å; K310-L313 WeakPolarHBondContact O-CB 3.47Å; K310-L313 PolarHBondContact O-N 3.1Å; L313-H315 PolarHBondContact O-N 2.94Å; L313-Q316 WeakPolarHBondContact O-CA 3.44Å; L313-Q316 PolarHBondContact O-N 2.89Å; L313-D317 PolarHBondContact O-N 3.4Å
314E93.2Very high92.3Very high115 Ų11582.3 Ų82.354%0.53742%0.422SS..Hα-helixtrans-56.5-39.1176.4-64.2-63.4158.300111.9K310 T311 D317 L318K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 3.18Å; K310-E314 VanDerWaalsContact O-N 3.09Å; T311-E314 PolarHBondContact O-N 3.11Å; E314-D317 PolarHBondContact O-N 3.01Å; E314-L318 WeakPolarHBondContact O-CB 3.15Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.06Å
315H91.3Very high92.7Very high67 Ų6779.5 Ų79.531%0.3141%0.411SS..Hα-helixtrans-64.9-37.3174.2-85.8-63.3000113.7R285 T311 Q312 L313 R319R285-H315 PolarHBondContact NH2-CE1 3.29Å; R285-H315 VanDerWaalsContact NH2-CE1 3.33Å; R285-H315 PolarHBondContact NH2-NE2 3.36Å; T311-H315 WeakPolarHBondContact O-CB 3.45Å; T311-H315 PolarHBondContact O-CD2 3.27Å; T311-H315 PolarHBondContact O-N 3.15Å; Q312-H315 PolarHBondContact O-N 2.83Å; L313-H315 PolarHBondContact O-N 2.94Å; H315-R319 WeakPolarHBondContact O-CB 3.47Å; H315-R319 PolarHBondContact O-N 2.95Å
316Q90.6Very high93Very high69 Ų6984.2 Ų84.232%0.32243%0.431SS..Hα-helixtrans-69.1-40.2175.1-67.5-45.7-55.700111.1Q312 L313 R319 I320Q312-Q316 VanDerWaalsContact NE2-NE2 3.14Å; Q312-Q316 WeakPolarHBondContact O-CG 3.24Å; Q312-Q316 PolarHBondContact O-N 2.8Å; L313-Q316 WeakPolarHBondContact O-CA 3.44Å; L313-Q316 PolarHBondContact O-N 2.89Å; Q316-R319 WeakPolarHBondContact O-CB 3.49Å; Q316-R319 PolarHBondContact O-N 3.35Å; Q316-I320 WeakPolarHBondContact O-CG1 3.38Å; Q316-I320 PolarHBondContact O-N 3.36Å
317D94.9Very high93.3Very high81 Ų8184.2 Ų84.243%0.43344%0.437SS..Hα-helixtrans-64.5-48.2178.4-66.4-20.2000111L313 E314 R319 I320 L321L313-D317 PolarHBondContact O-N 3.4Å; E314-D317 PolarHBondContact O-N 3.01Å; D317-R319 PolarHBondContact O-N 2.76Å; D317-I320 PolarHBondContact O-N 2.98Å; D317-L321 PolarHBondContact O-N 3.02Å
318L95.6Very high93.5Very high95 Ų9586.8 Ų86.850%0.49744%0.444SS..Hα-helixtrans-59.5-35.3172.5-73.7174.3000112.4E314 N322E314-L318 WeakPolarHBondContact O-CB 3.15Å; E314-L318 WeakPolarHBondContact O-CG 3.49Å; E314-L318 PolarHBondContact O-N 3.06Å; L318-N322 VanDerWaalsContact O-CB 3.3Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 3.07Å; L318-N322 PolarHBondContact O-ND2 3.39Å
319R94.9Very high93.9Very high145 Ų14590.8 Ų90.855%0.54746%0.46SS..Hα-helixtrans-68.3-41.8177.2179.2-177-178.9-170.62.7111.4H315 Q316 D317 N322 L323H315-R319 WeakPolarHBondContact O-CB 3.47Å; H315-R319 PolarHBondContact O-N 2.95Å; Q316-R319 WeakPolarHBondContact O-CB 3.49Å; Q316-R319 PolarHBondContact O-N 3.35Å; D317-R319 PolarHBondContact O-N 2.76Å; R319-N322 PolarHBondContact O-N 3.36Å; R319-L323 HydrophobicContact CG-CD1 4.06Å; R319-L323 HydrophobicContact CG-CG 4.42Å; R319-L323 WeakPolarHBondContact O-CB 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.43Å; R319-L323 PolarHBondContact O-N 2.88Å
320I95.6Very high94.2Very high86 Ų8689.9 Ų89.944%0.44146%0.458SS..Hα-helixtrans-60.7-50.8176-69.5164000109Q316 D317 N322 L323 E324Q316-I320 WeakPolarHBondContact O-CG1 3.38Å; Q316-I320 PolarHBondContact O-N 3.36Å; D317-I320 PolarHBondContact O-N 2.98Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 3Å; I320-L323 WeakPolarHBondContact O-CB 3.28Å; I320-L323 PolarHBondContact O-N 2.92Å; I320-E324 HydrophobicContact CG2-CG 4.46Å; I320-E324 WeakPolarHBondContact O-CG 3.44Å; I320-E324 PolarHBondContact O-N 3.39Å
321L96.9Very high94.4Very high86 Ų8686.5 Ų86.545%0.4545%0.45SS..Hα-helixtrans-56.7-45.6176.9-176150.6000112.1D317 L323 E324 L325D317-L321 PolarHBondContact O-N 3.02Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.06Å; L321-E324 PolarHBondContact O-N 3Å; L321-L325 HydrophobicContact CD2-CD1 3.61Å; L321-L325 HydrophobicContact CD2-CG 4.29Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.86Å
322N96.8Very high94.6Very high95 Ų9587.8 Ų87.851%0.50845%0.454SS..Hα-helixtrans-65-33.9176.9-75.7-33.6000112.9L318 R319 I320 M326L318-N322 VanDerWaalsContact O-CB 3.3Å; L318-N322 WeakPolarHBondContact O-CB 3.27Å; L318-N322 PolarHBondContact O-N 3.07Å; L318-N322 PolarHBondContact O-ND2 3.39Å; R319-N322 PolarHBondContact O-N 3.36Å; I320-N322 VanDerWaalsContact C-N 3.34Å; I320-N322 PolarHBondContact O-N 3Å; N322-M326 VanDerWaalsContact O-CB 3.25Å; N322-M326 WeakPolarHBondContact O-CB 3.4Å; N322-M326 PolarHBondContact O-N 3.05Å
323L96.4Very high95Very high83 Ų8390.7 Ų90.744%0.43547%0.474SS..Hα-helixtrans-72.2-36.9176.6-75.1172.6000111.9R319 I320 L321 M326 A327R319-L323 HydrophobicContact CG-CD1 4.06Å; R319-L323 HydrophobicContact CG-CG 4.42Å; R319-L323 WeakPolarHBondContact O-CB 3.3Å; R319-L323 WeakPolarHBondContact O-CG 3.43Å; R319-L323 PolarHBondContact O-N 2.88Å; I320-L323 WeakPolarHBondContact O-CB 3.28Å; I320-L323 PolarHBondContact O-N 2.92Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.06Å; L323-M326 HydrophobicContact CD2-CE 3.7Å; L323-M326 PolarHBondContact O-N 3Å; L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 3.4Å
324E96.6Very high95.2Very high115 Ų11594.3 Ų94.354%0.53748%0.48SS..Hα-helixtrans-62-51.5172.1-70.8171.8172.500110.1I320 L321 M326 A327 D328I320-E324 HydrophobicContact CG2-CG 4.46Å; I320-E324 WeakPolarHBondContact O-CG 3.44Å; I320-E324 PolarHBondContact O-N 3.39Å; L321-E324 PolarHBondContact O-N 3Å; E324-M326 VanDerWaalsContact C-N 3.29Å; E324-M326 PolarHBondContact O-N 3.15Å; E324-A327 WeakPolarHBondContact O-CB 3.2Å; E324-A327 PolarHBondContact O-N 3.05Å; E324-D328 PolarHBondContact O-N 3.11Å
325L96Very high95.3Very high79 Ų7996 Ų9641%0.41448%0.481SS..Hα-helixtrans-57.9-40.6174.9-69.4176.1000112.7L321 A327 D328 F329L321-L325 HydrophobicContact CD2-CD1 3.61Å; L321-L325 HydrophobicContact CD2-CG 4.29Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 2.86Å; L325-A327 VanDerWaalsContact C-N 3.35Å; L325-D328 PolarHBondContact O-N 2.9Å; L325-F329 HydrophobicContact CD2-CD2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 3.87Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.48Å; L325-F329 PolarHBondContact O-N 3.29Å
326M95.4Very high95.5Very high122 Ų12299.1 Ų99.160%0.60150%0.496SS*.Hα-helixtrans-68.2-35.6177.6-173.8-17471.900111.9N322 L323 E324 G330N322-M326 VanDerWaalsContact O-CB 3.25Å; N322-M326 WeakPolarHBondContact O-CB 3.4Å; N322-M326 PolarHBondContact O-N 3.05Å; L323-M326 HydrophobicContact CD2-CE 3.7Å; L323-M326 PolarHBondContact O-N 3Å; E324-M326 VanDerWaalsContact C-N 3.29Å; E324-M326 PolarHBondContact O-N 3.15Å; M326-G330 WeakPolarHBondContact O-CA 2.97Å; M326-G330 PolarHBondContact O-N 3.41Å
327A95Very high95.8Very high67 Ų67102 Ų10255%0.55451%0.505SS*.Hα-helixtrans-67-40.5176.400000111.3L323 E324 L325L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 3.4Å; E324-A327 WeakPolarHBondContact O-CB 3.2Å; E324-A327 PolarHBondContact O-N 3.05Å; L325-A327 VanDerWaalsContact C-N 3.35Å
328D96Very high95.9Very high107 Ų107101.4 Ų101.457%0.57251%0.507SS*.Hα-helixtrans-72.3-50.3-178.7-67.7-17.3000112.2E324 L325E324-D328 PolarHBondContact O-N 3.11Å; L325-D328 PolarHBondContact O-N 2.9Å
329F96.4Very high96Very high121 Ų121102.4 Ų102.453%0.53151%0.51SS..Hα-helixtrans-103.3-19-170.4-58-70.6000114.4L325 D332 V333L325-F329 HydrophobicContact CD2-CD2 4.26Å; L325-F329 HydrophobicContact CD2-CE2 3.87Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.48Å; L325-F329 PolarHBondContact O-N 3.29Å; F329-D332 PolarHBondContact O-N 2.85Å; F329-V333 HydrophobicContact CB-CG2 4.45Å; F329-V333 WeakPolarHBondContact O-CG2 3.4Å; F329-V333 PolarHBondContact O-N 3.18Å
330G95.3Very high96.1Very high29 Ų29103.6 Ų103.630%0.29951%0.514SS..Hα-helixtrans-55.7-48.3-174.400000114.3M326 D332 W334M326-G330 WeakPolarHBondContact O-CA 2.97Å; M326-G330 PolarHBondContact O-N 3.41Å; G330-D332 VanDerWaalsContact C-N 3.28Å; G330-D332 PolarHBondContact O-N 2.86Å; G330-W334 WeakPolarHBondContact O-CB 3.32Å; G330-W334 PolarHBondContact O-N 3.45Å
331P94.7Very high96.1Very high64 Ų64102 Ų10242%0.41651%0.508SS..Hα-helixtrans-63.1-30.7179.8-24.435.1000114.4R335P331-R335 WeakPolarHBondContact O-CG 3.32Å; P331-R335 PolarHBondContact O-N 3.48Å; P331-R335 PolarHBondContact O-NE 3.32Å
332D95.2Very high96.1Very high89 Ų89100.7 Ų100.748%0.47651%0.51SS..Hα-helixtrans-83-46.8-177.3-68.6-16.4000110.9F329 G330 W334 R335 E336F329-D332 PolarHBondContact O-N 2.85Å; G330-D332 VanDerWaalsContact C-N 3.28Å; G330-D332 PolarHBondContact O-N 2.86Å; D332-W334 VanDerWaalsContact C-N 3.25Å; D332-W334 PolarHBondContact O-N 3.47Å; D332-R335 PolarHBondContact O-N 2.89Å; D332-R335 VanDerWaalsContact O-N 3.12Å; D332-R335 IonicContact OD1-CZ 3.2Å; D332-R335 IonicContact OD1-NE 2.7Å; D332-R335 IonicContact OD1-NH1 2.81Å; D332-R335 IonicContact OD1-NH2 3.84Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; D332-E336 PolarHBondContact O-N 3.49Å
333V96.4Very high96.1Very high87 Ų87102.6 Ų102.653%0.52751%0.514SS..Hα-helixtrans-58.8-39.2173.1175.10000110.8F329 E336 Y337F329-V333 HydrophobicContact CB-CG2 4.45Å; F329-V333 WeakPolarHBondContact O-CG2 3.4Å; F329-V333 PolarHBondContact O-N 3.18Å; V333-E336 PolarHBondContact O-N 3.09Å; V333-Y337 WeakPolarHBondContact O-CB 3.48Å; V333-Y337 PolarHBondContact O-N 2.97Å
334W95.2Very high96.1Very high178 Ų178102.9 Ų102.967%0.67452%0.515SS*.Hα-helixtrans-66.4-37.2177.9-170.1-104.6000112.8G330 D332 Y337 S338G330-W334 WeakPolarHBondContact O-CB 3.32Å; G330-W334 PolarHBondContact O-N 3.45Å; D332-W334 VanDerWaalsContact C-N 3.25Å; D332-W334 PolarHBondContact O-N 3.47Å; W334-Y337 HydrophobicContact CE3-CD1 4.29Å; W334-Y337 HydrophobicContact CH2-CE1 4.43Å; W334-Y337 HydrophobicContact CZ3-CD1 4.17Å; W334-Y337 HydrophobicContact CZ3-CE1 4.34Å; W334-S338 WeakPolarHBondContact O-CB 3.37Å; W334-S338 PolarHBondContact O-N 3.15Å
335R96.2Very high96.1Very high150 Ų150100.5 Ų100.557%0.56651%0.508SS*.Hα-helixtrans-65.9-49.6174.3-82.7-179.5-94.2171.7-2.8111.1P331 D332 Y337 S338 E339P331-R335 WeakPolarHBondContact O-CG 3.32Å; P331-R335 PolarHBondContact O-N 3.48Å; P331-R335 PolarHBondContact O-NE 3.32Å; D332-R335 PolarHBondContact O-N 2.89Å; D332-R335 VanDerWaalsContact O-N 3.12Å; D332-R335 IonicContact OD1-CZ 3.2Å; D332-R335 IonicContact OD1-NE 2.7Å; D332-R335 IonicContact OD1-NH1 2.81Å; D332-R335 IonicContact OD1-NH2 3.84Å; D332-R335 PolarHBondContact OD1-NH2 3.21Å; R335-Y337 VanDerWaalsContact C-N 3.34Å; R335-Y337 PolarHBondContact O-N 3Å; R335-S338 PolarHBondContact O-N 2.94Å; R335-E339 PolarHBondContact O-N 3.32Å
336E96.5Very high96.1Very high133 Ų13399.5 Ų99.562%0.62151%0.511SS*.Hα-helixtrans-58.6-45.1176.6-168.9-165.3155.200111.7D332 V333 S338 E339 R340D332-E336 PolarHBondContact O-N 3.49Å; V333-E336 PolarHBondContact O-N 3.09Å; E336-S338 PolarHBondContact O-N 3.27Å; E336-E339 PolarHBondContact O-N 3.08Å; E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.32Å
337Y96.8Very high96.2Very high129 Ų12999.8 Ų99.851%0.50651%0.511SS..Hα-helixtrans-57.8-47.4175.1173.5-99.8000111.8V333 W334 R335 E339 R340 V341V333-Y337 WeakPolarHBondContact O-CB 3.48Å; V333-Y337 PolarHBondContact O-N 2.97Å; W334-Y337 HydrophobicContact CE3-CD1 4.29Å; W334-Y337 HydrophobicContact CH2-CE1 4.43Å; W334-Y337 HydrophobicContact CZ3-CD1 4.17Å; W334-Y337 HydrophobicContact CZ3-CE1 4.34Å; R335-Y337 VanDerWaalsContact C-N 3.34Å; R335-Y337 PolarHBondContact O-N 3Å; Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.4Å; Y337-R340 PolarHBondContact O-N 3.47Å; Y337-V341 HydrophobicContact CD1-CG2 4.28Å; Y337-V341 HydrophobicContact CD2-CG2 4.32Å; Y337-V341 HydrophobicContact CE1-CG2 3.81Å; Y337-V341 HydrophobicContact CE2-CG2 3.86Å; Y337-V341 WeakPolarHBondContact O-CG2 3.22Å; Y337-V341 PolarHBondContact O-N 3.47Å
338S96Very high96.2Very high69 Ų69100.4 Ų100.448%0.48351%0.512SS..Hα-helixtrans-61.2-39.8177.9-172.50000111.9W334 R335 E336 V341 A342W334-S338 WeakPolarHBondContact O-CB 3.37Å; W334-S338 PolarHBondContact O-N 3.15Å; R335-S338 PolarHBondContact O-N 2.94Å; E336-S338 PolarHBondContact O-N 3.27Å; S338-V341 PolarHBondContact O-N 2.97Å; S338-A342 WeakPolarHBondContact O-CB 2.84Å; S338-A342 PolarHBondContact O-N 3.36Å
339E97.1Very high96.2Very high116 Ų116103 Ų10354%0.54251%0.514SS..Hα-helixtrans-65.4-43.9175.5-72.4-177.1-173.300112R335 E336 Y337 V341 A342 K343R335-E339 PolarHBondContact O-N 3.32Å; E336-E339 PolarHBondContact O-N 3.08Å; Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.4Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 2.72Å; E339-A342 WeakPolarHBondContact O-CB 3.46Å; E339-A342 PolarHBondContact O-N 3.15Å; E339-K343 WeakPolarHBondContact O-CG 3.34Å; E339-K343 PolarHBondContact O-N 3.35Å
340R97.1Very high96.1Very high170 Ų170104.8 Ų104.864%0.64252%0.521SS*.Hα-helixtrans-60.4-44.3175.8-178.3176.4172179.7-2.5111.4E336 Y337 A342 K343 L344E336-R340 WeakPolarHBondContact O-CB 3.19Å; E336-R340 PolarHBondContact O-N 3.32Å; Y337-R340 PolarHBondContact O-N 3.47Å; R340-A342 VanDerWaalsContact C-N 3.34Å; R340-K343 PolarHBondContact O-N 2.93Å; R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CG 3.34Å; R340-L344 PolarHBondContact O-N 3.34Å
341V96.2Very high96.2Very high53 Ų53111.3 Ų111.332%0.32154%0.537SS..Hα-helixtrans-62.1-42.8175.3171.60000110.8Y337 S338 E339 K343 L344 V345Y337-V341 HydrophobicContact CD1-CG2 4.28Å; Y337-V341 HydrophobicContact CD2-CG2 4.32Å; Y337-V341 HydrophobicContact CE1-CG2 3.81Å; Y337-V341 HydrophobicContact CE2-CG2 3.86Å; Y337-V341 WeakPolarHBondContact O-CG2 3.22Å; Y337-V341 PolarHBondContact O-N 3.47Å; S338-V341 PolarHBondContact O-N 2.97Å; E339-V341 VanDerWaalsContact C-N 3.34Å; E339-V341 PolarHBondContact O-N 2.72Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.79Å; V341-L344 PolarHBondContact O-N 3.47Å; V341-V345 HydrophobicContact CG1-CG2 4.44Å; V341-V345 WeakPolarHBondContact O-CG2 3.21Å; V341-V345 PolarHBondContact O-N 3.28Å
342A96.7Very high96.2Very high59 Ų59112.2 Ų112.249%0.48854%0.538SS..Hα-helixtrans-61.2-41.9176.200000112.2S338 E339 R340 V345 A346S338-A342 WeakPolarHBondContact O-CB 2.84Å; S338-A342 PolarHBondContact O-N 3.36Å; E339-A342 WeakPolarHBondContact O-CB 3.46Å; E339-A342 PolarHBondContact O-N 3.15Å; R340-A342 VanDerWaalsContact C-N 3.34Å; A342-V345 PolarHBondContact O-N 2.98Å; A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.41Å
343K97Very high96.1Very high134 Ų134113.3 Ų113.358%0.58354%0.54SS*.Hα-helixtrans-61.5-46.3174.6-72173.4-175.5170.60112E339 R340 V341 V345 A346 Q347E339-K343 WeakPolarHBondContact O-CG 3.34Å; E339-K343 PolarHBondContact O-N 3.35Å; R340-K343 PolarHBondContact O-N 2.93Å; V341-K343 VanDerWaalsContact C-N 3.35Å; V341-K343 PolarHBondContact O-N 2.79Å; K343-V345 PolarHBondContact O-N 3.32Å; K343-A346 PolarHBondContact O-N 3.46Å; K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 3.15Å
344L96.7Very high96Very high89 Ų89115.8 Ų115.847%0.46654%0.539SS..Hα-helixtrans-60-45.6176.9-72.7171.9000111.6R340 V341 A346 Q347 S348R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CG 3.34Å; R340-L344 PolarHBondContact O-N 3.34Å; V341-L344 PolarHBondContact O-N 3.47Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.11Å; L344-Q347 PolarHBondContact O-N 3.41Å; L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 3.03Å
345V95.9Very high96Very high65 Ų65110.6 Ų110.639%0.39452%0.524SS..Hα-helixtrans-61.6-42.1177.21710000111.4V341 A342 K343 S348 R349V341-V345 HydrophobicContact CG1-CG2 4.44Å; V341-V345 WeakPolarHBondContact O-CG2 3.21Å; V341-V345 PolarHBondContact O-N 3.28Å; A342-V345 PolarHBondContact O-N 2.98Å; K343-V345 PolarHBondContact O-N 3.32Å; V345-S348 PolarHBondContact O-N 2.8Å; V345-R349 WeakPolarHBondContact O-CB 3.15Å; V345-R349 WeakPolarHBondContact O-CG 3.36Å; V345-R349 PolarHBondContact O-N 3.1Å
346A96.4Very high95.9Very high58 Ų58111.1 Ų111.148%0.47953%0.526SS..Hα-helixtrans-62.9-42.8176.900000112.1A342 K343 L344 R349 K350A342-A346 WeakPolarHBondContact O-CB 3.19Å; A342-A346 PolarHBondContact O-N 3.41Å; K343-A346 PolarHBondContact O-N 3.46Å; L344-A346 VanDerWaalsContact C-N 3.34Å; L344-A346 PolarHBondContact O-N 3.11Å; A346-R349 PolarHBondContact O-N 3.39Å; A346-K350 PolarHBondContact O-N 3.45Å
347Q96.8Very high95.8Very high128 Ų128110.5 Ų110.560%0.59852%0.523SS*.Hα-helixtrans-62.3-45.7175.4-71.9174.6-6.600112K343 L344 R349 K350 R351K343-Q347 WeakPolarHBondContact O-CG 3.47Å; K343-Q347 PolarHBondContact O-N 3.15Å; L344-Q347 PolarHBondContact O-N 3.41Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.3Å; Q347-K350 PolarHBondContact O-N 2.97Å; Q347-R351 PolarHBondContact O-N 3.29Å
348S94.9Very high95.6Very high80 Ų80108.6 Ų108.656%0.55952%0.519SS*.Hα-helixtrans-62.4-39.2176.7-59.90000112.3L344 V345 R351 L352L344-S348 PolarHBondContact O-N 3.48Å; L344-S348 PolarHBondContact O-OG 3.03Å; V345-S348 PolarHBondContact O-N 2.8Å; S348-R351 PolarHBondContact O-N 3.42Å; S348-L352 WeakPolarHBondContact O-CB 3.35Å; S348-L352 PolarHBondContact O-N 2.97Å
349R96Very high95.5Very high163 Ų163108.2 Ų108.262%0.61551%0.514SS*.Hα-helixtrans-65.1-45.4175.4-75179.2-177.3-171.73.8112.1V345 A346 Q347 R351 L352 E353V345-R349 WeakPolarHBondContact O-CB 3.15Å; V345-R349 WeakPolarHBondContact O-CG 3.36Å; V345-R349 PolarHBondContact O-N 3.1Å; A346-R349 PolarHBondContact O-N 3.39Å; Q347-R349 VanDerWaalsContact C-N 3.33Å; Q347-R349 PolarHBondContact O-N 3.3Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 2.93Å; R349-L352 WeakPolarHBondContact O-CB 3.43Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-L352 VanDerWaalsContact O-N 3.13Å; R349-E353 WeakPolarHBondContact O-CG 3.28Å; R349-E353 PolarHBondContact O-N 3.32Å
350K96Very high95.3Very high158 Ų158108.7 Ų108.769%0.68752%0.516SS*.Hα-helixtrans-59.5-41.1175.9-171.7177.4-178.7179.40111.6A346 Q347 E353 R354A346-K350 PolarHBondContact O-N 3.45Å; Q347-K350 PolarHBondContact O-N 2.97Å; K350-E353 PolarHBondContact O-N 3.06Å; K350-R354 PolarHBondContact O-N 2.88Å
351R96.2Very high95.1Very high166 Ų166105.4 Ų105.463%0.62651%0.508SS*.Hα-helixtrans-63-43.1174.4-175.9177.3177.6177.30.1111.8Q347 S348 R349 R354 I355Q347-R351 PolarHBondContact O-N 3.29Å; S348-R351 PolarHBondContact O-N 3.42Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 2.93Å; R351-R354 PolarHBondContact O-N 2.98Å; R351-I355 HydrophobicContact CG-CD1 3.98Å; R351-I355 WeakPolarHBondContact O-CG1 3.47Å; R351-I355 PolarHBondContact O-N 2.93Å
352L94.4Very high94.9Very high83 Ų83107.2 Ų107.244%0.43552%0.515SS..Hα-helixtrans-62.9-42.6177.4-178.369.7000111.9S348 R349 I355 R356S348-L352 WeakPolarHBondContact O-CB 3.35Å; S348-L352 PolarHBondContact O-N 2.97Å; R349-L352 WeakPolarHBondContact O-CB 3.43Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-L352 VanDerWaalsContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 3.1Å; L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 VanDerWaalsContact O-CG 3.3Å; L352-R356 WeakPolarHBondContact O-CG 3.43Å; L352-R356 PolarHBondContact O-N 3.29Å
353E93.7Very high94.7Very high112 Ų112106.9 Ų106.952%0.52351%0.505SS..Hα-helixtrans-63.1-43.5176.8-74.8170.3-178.100111.7R349 K350 R356 Q357R349-E353 WeakPolarHBondContact O-CG 3.28Å; R349-E353 PolarHBondContact O-N 3.32Å; K350-E353 PolarHBondContact O-N 3.06Å; E353-R356 PolarHBondContact O-N 2.96Å; E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 3.16Å
354R95.2Very high94.4Very high138 Ų138103.3 Ų103.352%0.52150%0.496SS..Hα-helixtrans-58.9-50.7174.9-170-175.769.2-162.7-0.3111.9K350 R351 R356 Q357 E358K350-R354 PolarHBondContact O-N 2.88Å; R351-R354 PolarHBondContact O-N 2.98Å; R354-R356 VanDerWaalsContact C-N 3.26Å; R354-R356 PolarHBondContact O-N 3.34Å; R354-Q357 WeakPolarHBondContact O-CB 3.5Å; R354-Q357 PolarHBondContact O-N 3.43Å; R354-Q357 VanDerWaalsContact O-N 3.13Å; R354-E358 WeakPolarHBondContact CD-OE1 3.49Å; R354-E358 WeakPolarHBondContact CG-OE1 3.33Å; R354-E358 IonicContact NE-OE1 2.78Å; R354-E358 PolarHBondContact NE-OE1 3.18Å; R354-E358 WeakPolarHBondContact O-CG 3.33Å; R354-E358 PolarHBondContact O-N 2.9Å
355I94.6Very high94.2Very high69 Ų69107.1 Ų107.135%0.35450%0.504SS..Hα-helixtrans-60.6-38.3178.9-67.7166.9000110.8R351 L352 E358 T359R351-I355 HydrophobicContact CG-CD1 3.98Å; R351-I355 WeakPolarHBondContact O-CG1 3.47Å; R351-I355 PolarHBondContact O-N 2.93Å; L352-I355 PolarHBondContact O-N 3.1Å; I355-E358 PolarHBondContact O-N 3.38Å; I355-T359 WeakPolarHBondContact O-CB 3.32Å; I355-T359 PolarHBondContact O-N 2.64Å; I355-T359 PolarHBondContact O-OG1 2.7Å
356R94Very high93.9Very high162 Ų162109.4 Ų109.461%0.61151%0.506SS*.Hα-helixtrans-65.2-40.5176.2-78175.3174.6-179.1-2.2112.6L352 E353 R354 H360L352-R356 WeakPolarHBondContact O-CB 3.45Å; L352-R356 VanDerWaalsContact O-CG 3.3Å; L352-R356 WeakPolarHBondContact O-CG 3.43Å; L352-R356 PolarHBondContact O-N 3.29Å; E353-R356 PolarHBondContact O-N 2.96Å; R354-R356 VanDerWaalsContact C-N 3.26Å; R354-R356 PolarHBondContact O-N 3.34Å; R356-H360 VanDerWaalsContact O-CB 3.25Å; R356-H360 WeakPolarHBondContact O-CB 3.19Å; R356-H360 PolarHBondContact O-N 3.31Å
357Q93.4Very high93.6Very high120 Ų120111.8 Ų111.856%0.56151%0.505SS*.Hα-helixtrans-64.3-48.8175-72.4171.8-1400110.7E353 R354 T359 H360 E361E353-Q357 WeakPolarHBondContact O-CG 3.29Å; E353-Q357 PolarHBondContact O-N 3.16Å; R354-Q357 WeakPolarHBondContact O-CB 3.5Å; R354-Q357 PolarHBondContact O-N 3.43Å; R354-Q357 VanDerWaalsContact O-N 3.13Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 2.74Å; Q357-H360 WeakPolarHBondContact O-CB 3.43Å; Q357-H360 PolarHBondContact O-N 3.48Å; Q357-H360 VanDerWaalsContact O-N 3.12Å; Q357-E361 WeakPolarHBondContact O-CG 3.25Å; Q357-E361 PolarHBondContact O-N 2.94Å
358E94.3Very high93.3Very high89 Ų89108.6 Ų108.642%0.41650%0.497SS..Hα-helixtrans-55.9-47.3175.2-69.7165.8-173.900111.5R354 I355 H360 E361 I362R354-E358 WeakPolarHBondContact CD-OE1 3.49Å; R354-E358 WeakPolarHBondContact CG-OE1 3.33Å; R354-E358 IonicContact NE-OE1 2.78Å; R354-E358 PolarHBondContact NE-OE1 3.18Å; R354-E358 WeakPolarHBondContact O-CG 3.33Å; R354-E358 PolarHBondContact O-N 2.9Å; I355-E358 PolarHBondContact O-N 3.38Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 2.96Å; E358-E361 PolarHBondContact O-N 2.84Å; E358-I362 VanDerWaalsContact O-CG1 3.29Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.18Å
359T94Very high93Very high61 Ų61111.7 Ų111.737%0.37450%0.5SS..Hα-helixtrans-63.8-39.6177.6-51.70000111.7I355 Q357 N363I355-T359 WeakPolarHBondContact O-CB 3.32Å; I355-T359 PolarHBondContact O-N 2.64Å; I355-T359 PolarHBondContact O-OG1 2.7Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 2.74Å; T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 VanDerWaalsContact O-CG 3.32Å; T359-N363 PolarHBondContact O-N 3.41Å; T359-N363 PolarHBondContact O-ND2 3.4Å
360H92.8Very high92.7Very high125 Ų125104.8 Ų104.858%0.57948%0.475SS*.Hα-helixtrans-65.3-45.6177.8-178.364.2000111.5R356 Q357 E358 I362 N363 C364R356-H360 VanDerWaalsContact O-CB 3.25Å; R356-H360 WeakPolarHBondContact O-CB 3.19Å; R356-H360 PolarHBondContact O-N 3.31Å; Q357-H360 WeakPolarHBondContact O-CB 3.43Å; Q357-H360 PolarHBondContact O-N 3.48Å; Q357-H360 VanDerWaalsContact O-N 3.12Å; E358-H360 VanDerWaalsContact C-N 3.34Å; E358-H360 PolarHBondContact O-N 2.96Å; H360-I362 PolarHBondContact O-N 2.95Å; H360-N363 PolarHBondContact O-N 3.35Å; H360-C364 VanDerWaalsContact CE1-SG 3.55Å; H360-C364 WeakPolarHBondContact O-CB 3.32Å; H360-C364 PolarHBondContact O-N 2.92Å; H360-C364 PolarHBondContact O-SG 2.99Å; H360-C364 VanDerWaalsContact O-SG 3.34Å
361E92.3Very high92.3Very high101 Ų101101.7 Ų101.747%0.47247%0.466SS..Hα-helixtrans-59.4-44.6175.9-73.2178.8-165.200112Q357 E358 N363 C364 R365Q357-E361 WeakPolarHBondContact O-CG 3.25Å; Q357-E361 PolarHBondContact O-N 2.94Å; E358-E361 PolarHBondContact O-N 2.84Å; E361-N363 VanDerWaalsContact C-N 3.34Å; E361-N363 PolarHBondContact O-N 3.15Å; E361-C364 PolarHBondContact O-N 2.96Å; E361-R365 WeakPolarHBondContact O-CG 3.34Å; E361-R365 PolarHBondContact O-N 3.48Å
362I92.7Very high91.9Very high91 Ų9199.5 Ų99.547%0.46746%0.463SS..Hα-helixtrans-59.4-46.8175.9-69166.1000110.4E358 H360 R365 R366E358-I362 VanDerWaalsContact O-CG1 3.29Å; E358-I362 WeakPolarHBondContact O-CG1 3.42Å; E358-I362 PolarHBondContact O-N 3.18Å; H360-I362 PolarHBondContact O-N 2.95Å; I362-R365 PolarHBondContact O-N 3.36Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 PolarHBondContact O-N 3.01Å
363N91.5Very high91.6Very high52 Ų5298.6 Ų98.628%0.27846%0.46SS..Hα-helixtrans-66.1-38.2179.1-75.5-18000112.2T359 H360 E361 R366 K367T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 VanDerWaalsContact O-CG 3.32Å; T359-N363 PolarHBondContact O-N 3.41Å; T359-N363 PolarHBondContact O-ND2 3.4Å; H360-N363 PolarHBondContact O-N 3.35Å; E361-N363 VanDerWaalsContact C-N 3.34Å; E361-N363 PolarHBondContact O-N 3.15Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 PolarHBondContact OD1-NH1 3.19Å; N363-K367 WeakPolarHBondContact O-CB 3.22Å; N363-K367 PolarHBondContact O-N 2.95Å
364C90.4Very high91.3Very high60 Ų6093.8 Ų93.841%0.40544%0.44SS..Hα-helixtrans-62-46.8173.6-76.40000111.7H360 E361 R366 K367 S368H360-C364 VanDerWaalsContact CE1-SG 3.55Å; H360-C364 WeakPolarHBondContact O-CB 3.32Å; H360-C364 PolarHBondContact O-N 2.92Å; H360-C364 PolarHBondContact O-SG 2.99Å; H360-C364 VanDerWaalsContact O-SG 3.34Å; E361-C364 PolarHBondContact O-N 2.96Å; C364-R366 PolarHBondContact O-N 3.06Å; C364-K367 PolarHBondContact O-N 2.76Å; C364-S368 PolarHBondContact O-N 3.41Å
365R92.4Very high91Very high168 Ų16888.8 Ų88.863%0.63443%0.432SS*.Hα-helixtrans-60.8-44.1175.4-71.6178.2-171.71707111.5E361 I362 S368 K369E361-R365 WeakPolarHBondContact O-CG 3.34Å; E361-R365 PolarHBondContact O-N 3.48Å; I362-R365 PolarHBondContact O-N 3.36Å; R365-S368 PolarHBondContact O-N 2.91Å; R365-K369 WeakPolarHBondContact O-CG 3.45Å; R365-K369 PolarHBondContact O-N 3.48Å; R365-K369 VanDerWaalsContact O-N 3.12Å
366R89.6Confident90.8Very high114 Ų11491.3 Ų91.343%0.4344%0.442SS..Hα-helixtrans-60.6-46176.3-171.2-174.7-61.1134.21.8111.2Y218 I362 N363 C364 K369 Q370Y218-R366 HydrophobicContact CD2-CG 4.37Å; Y218-R366 HydrophobicContact CE2-CB 4.19Å; Y218-R366 HydrophobicContact CE2-CG 4.08Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 PolarHBondContact O-N 3.01Å; N363-R366 PolarHBondContact O-N 3.49Å; N363-R366 PolarHBondContact OD1-NH1 3.19Å; C364-R366 PolarHBondContact O-N 3.06Å; R366-K369 PolarHBondContact O-N 3.41Å; R366-Q370 WeakPolarHBondContact O-CB 3.49Å; R366-Q370 WeakPolarHBondContact O-CG 3.45Å; R366-Q370 PolarHBondContact O-N 3.04Å
367K89.9Confident90.6Very high107 Ų10787 Ų8747%0.46543%0.43SS..Hα-helixtrans-62.3-43.2178.4-174.3178.4177.8-179.40112.3Y218 N363 C364 Q370 L371Y218-K367 HydrophobicContact CD1-CB 4.46Å; Y218-K367 HydrophobicContact CD1-CD 4.4Å; Y218-K367 HydrophobicContact CD1-CG 4.22Å; Y218-K367 HydrophobicContact CD2-CB 3.86Å; Y218-K367 HydrophobicContact CD2-CG 4.27Å; Y218-K367 HydrophobicContact CE1-CB 4.48Å; Y218-K367 HydrophobicContact CE2-CB 3.86Å; Y218-K367 HydrophobicContact CG-CB 4.18Å; Y218-K367 HydrophobicContact CG-CG 4.08Å; N363-K367 WeakPolarHBondContact O-CB 3.22Å; N363-K367 PolarHBondContact O-N 2.95Å; C364-K367 PolarHBondContact O-N 2.76Å; K367-Q370 PolarHBondContact O-N 3.28Å; K367-L371 HydrophobicContact CD-CD1 4.44Å; K367-L371 HydrophobicContact CG-CD1 3.85Å; K367-L371 HydrophobicContact CG-CG 4.28Å; K367-L371 WeakPolarHBondContact O-CB 3.34Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.46Å; K367-L371 PolarHBondContact O-N 2.96Å
368S91Very high90.4Very high61 Ų6188.3 Ų88.343%0.42743%0.434SS..Hα-helixtrans-59.1-53.6176.8-161.80000111.1C364 R365 Q370 L371 E372C364-S368 PolarHBondContact O-N 3.41Å; R365-S368 PolarHBondContact O-N 2.91Å; S368-Q370 VanDerWaalsContact C-N 3.32Å; S368-Q370 PolarHBondContact O-N 3.44Å; S368-L371 PolarHBondContact O-N 3.21Å; S368-L371 VanDerWaalsContact O-N 3.14Å; S368-E372 WeakPolarHBondContact O-CG 3.5Å; S368-E372 PolarHBondContact O-N 3.37Å; S368-E372 PolarHBondContact OG-OE1 2.89Å
369K88.8Confident90.3Very high145 Ų14590.9 Ų90.963%0.6345%0.446SS*.Hα-helixtrans-57-43.7179.2-71.4-177.7175.5-168.40112.5R365 R366 V373R365-K369 WeakPolarHBondContact O-CG 3.45Å; R365-K369 PolarHBondContact O-N 3.48Å; R365-K369 VanDerWaalsContact O-N 3.12Å; R366-K369 PolarHBondContact O-N 3.41Å; K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 2.95Å
370Q89.3Confident90.3Very high18 Ų1893 Ų938%0.08446%0.455CS..Hα-helixtrans-67.7-40178.5-72.2-171.4-0.200112.1L216 Y218 I219 R366 K367 S368 V373 A374L216-Q370 HydrophobicContact CD2-CG 4.01Å; Y218-Q370 VanDerWaalsContact CB-OE1 3.22Å; I219-Q370 HydrophobicContact CD1-CB 4.17Å; I219-Q370 WeakPolarHBondContact CD1-O 3.5Å; I219-Q370 HydrophobicContact CG1-CB 4.06Å; R366-Q370 WeakPolarHBondContact O-CB 3.49Å; R366-Q370 WeakPolarHBondContact O-CG 3.45Å; R366-Q370 PolarHBondContact O-N 3.04Å; K367-Q370 PolarHBondContact O-N 3.28Å; S368-Q370 VanDerWaalsContact C-N 3.32Å; S368-Q370 PolarHBondContact O-N 3.44Å; Q370-V373 PolarHBondContact O-N 3.01Å; Q370-A374 WeakPolarHBondContact O-CB 3.39Å; Q370-A374 PolarHBondContact O-N 3.25Å
371L88.3Confident90.3Very high94 Ų9493.2 Ų93.249%0.49246%0.456SS..Hα-helixtrans-70.2-32.5178-71.7176.3000113.1K367 S368 A374K367-L371 HydrophobicContact CD-CD1 4.44Å; K367-L371 HydrophobicContact CG-CD1 3.85Å; K367-L371 HydrophobicContact CG-CG 4.28Å; K367-L371 WeakPolarHBondContact O-CB 3.34Å; K367-L371 VanDerWaalsContact O-CG 3.27Å; K367-L371 WeakPolarHBondContact O-CG 3.46Å; K367-L371 PolarHBondContact O-N 2.96Å; S368-L371 PolarHBondContact O-N 3.21Å; S368-L371 VanDerWaalsContact O-N 3.14Å; L371-A374 WeakPolarHBondContact O-CB 3.28Å; L371-A374 PolarHBondContact O-N 3.3Å
372E87.2Confident90.5Very high120 Ų12091.4 Ų91.456%0.56146%0.458SS*.Hα-helixtrans-60.1-52.3171.2-73.5158.6-147.400110.3S368 A374 G375S368-E372 WeakPolarHBondContact O-CG 3.5Å; S368-E372 PolarHBondContact O-N 3.37Å; S368-E372 PolarHBondContact OG-OE1 2.89Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 3.33Å; E372-G375 PolarHBondContact O-N 2.88Å
373V87.8Confident90.6Very high63 Ų6395.4 Ų95.438%0.38247%0.467SS..Hα-helixtrans-66.3-31.1178176.60000112.3K369 Q370 G375 E376 L377K369-V373 WeakPolarHBondContact O-CG2 3.39Å; K369-V373 PolarHBondContact O-N 2.95Å; Q370-V373 PolarHBondContact O-N 3.01Å; V373-G375 PolarHBondContact O-N 3.35Å; V373-E376 PolarHBondContact O-N 3.41Å; V373-E376 VanDerWaalsContact O-N 3.12Å; V373-L377 HydrophobicContact CG1-CD1 3.87Å; V373-L377 HydrophobicContact CG1-CG 4.03Å; V373-L377 PolarHBondContact O-N 3.34Å
374A88.7Confident90.9Very high11 Ų11100.9 Ų100.99%0.09148%0.484CS..Hα-helixtrans-59.5-33.8177.700000112.9I219 Q370 L371 E372 K378I219-A374 HydrophobicContact CD1-CB 3.78Å; I219-A374 HydrophobicContact CG1-CB 3.98Å; I219-A374 HydrophobicContact CG2-CB 4.28Å; Q370-A374 WeakPolarHBondContact O-CB 3.39Å; Q370-A374 PolarHBondContact O-N 3.25Å; L371-A374 WeakPolarHBondContact O-CB 3.28Å; L371-A374 PolarHBondContact O-N 3.3Å; E372-A374 VanDerWaalsContact C-N 3.31Å; E372-A374 PolarHBondContact O-N 3.33Å; A374-K378 WeakPolarHBondContact O-CG 3.25Å; A374-K378 PolarHBondContact O-N 3.03Å
375G88Confident91.1Very high34 Ų34101.4 Ų101.435%0.35149%0.486SS..Hα-helixtrans-66.4-45.2175.400000111.7E372 V373 K378 Q379E372-G375 PolarHBondContact O-N 2.88Å; V373-G375 PolarHBondContact O-N 3.35Å; G375-K378 PolarHBondContact O-N 3.41Å; G375-Q379 WeakPolarHBondContact O-CG 3.43Å; G375-Q379 PolarHBondContact O-N 2.89Å; G375-Q379 VanDerWaalsContact O-N 3.16Å
376E90.1Very high91.3Very high122 Ų12296.3 Ų96.357%0.5748%0.48SS*.Hα-helixtrans-65.6-43.7178.2-62.2-178.1174.100111.7V373 K378 Q379 L380V373-E376 PolarHBondContact O-N 3.41Å; V373-E376 VanDerWaalsContact O-N 3.12Å; E376-K378 PolarHBondContact O-N 2.91Å; E376-Q379 WeakPolarHBondContact O-CB 3.36Å; E376-Q379 PolarHBondContact O-N 3.42Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.37Å
377L89.5Confident91.6Very high71 Ų7195.2 Ų95.237%0.37248%0.482SS..Hα-helixtrans-58.4-45.9176.7-79170.1000112L216 I219 V373 Q379 L380 E381L216-L377 HydrophobicContact CD1-CD1 4.01Å; I219-L377 HydrophobicContact CD1-CD1 4.25Å; V373-L377 HydrophobicContact CG1-CD1 3.87Å; V373-L377 HydrophobicContact CG1-CG 4.03Å; V373-L377 PolarHBondContact O-N 3.34Å; L377-Q379 VanDerWaalsContact C-N 3.31Å; L377-Q379 PolarHBondContact O-N 2.72Å; L377-L380 PolarHBondContact O-N 3.4Å; L377-E381 WeakPolarHBondContact O-CB 3.36Å; L377-E381 PolarHBondContact O-N 2.99Å
378K89.7Confident91.9Very high148 Ų14893.2 Ų93.264%0.64348%0.478SS*.Hα-helixtrans-63.5-36.9176.9-73.5179.7-178.7-174.10112.6A374 G375 E376 A382A374-K378 WeakPolarHBondContact O-CG 3.25Å; A374-K378 PolarHBondContact O-N 3.03Å; G375-K378 PolarHBondContact O-N 3.41Å; E376-K378 PolarHBondContact O-N 2.91Å; K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 3.04Å
379Q93.3Very high92.1Very high142 Ų14293.5 Ų93.566%0.66448%0.478SS*.Hα-helixtrans-68.4-41.8175.8-72.1176.112.900111.6G375 E376 L377 A382 R383G375-Q379 WeakPolarHBondContact O-CG 3.43Å; G375-Q379 PolarHBondContact O-N 2.89Å; G375-Q379 VanDerWaalsContact O-N 3.16Å; E376-Q379 WeakPolarHBondContact O-CB 3.36Å; E376-Q379 PolarHBondContact O-N 3.42Å; E376-Q379 VanDerWaalsContact O-N 3.16Å; L377-Q379 VanDerWaalsContact C-N 3.31Å; L377-Q379 PolarHBondContact O-N 2.72Å; Q379-A382 PolarHBondContact O-N 2.86Å; Q379-R383 VanDerWaalsContact O-CB 3.32Å; Q379-R383 WeakPolarHBondContact O-CB 3.36Å; Q379-R383 PolarHBondContact O-N 3.34Å
380L93.7Very high92.5Very high107 Ų10792.5 Ų92.556%0.5647%0.473SS*.Hα-helixtrans-65.1-41.7176.7-72.3173.3000111.6E376 L377 R383 W384E376-L380 WeakPolarHBondContact O-CG 3.41Å; E376-L380 PolarHBondContact O-N 3.37Å; L377-L380 PolarHBondContact O-N 3.4Å; L380-R383 PolarHBondContact O-N 3.28Å; L380-W384 WeakPolarHBondContact O-CB 3.34Å; L380-W384 PolarHBondContact O-N 3.01Å
381E93Very high92.7Very high129 Ų12996 Ų9660%0.60349%0.492SS*.Hα-helixtrans-61.3-49.1174.5-173-178.6-171.600111L377 R383 W384 V385L377-E381 WeakPolarHBondContact O-CB 3.36Å; L377-E381 PolarHBondContact O-N 2.99Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 3.45Å; E381-W384 PolarHBondContact O-N 3.04Å; E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.29Å
382A95.1Very high93Very high62 Ų6298.7 Ų98.751%0.51250%0.497SS..Hα-helixtrans-60.2-40.4176.700000112.3K378 Q379 A386K378-A382 WeakPolarHBondContact O-CB 3.41Å; K378-A382 PolarHBondContact O-N 3.04Å; Q379-A382 PolarHBondContact O-N 2.86Å; A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 2.91Å
383R96.4Very high93.5Very high175 Ų17598.5 Ų98.566%0.6650%0.496SS*.Hα-helixtrans-67.1-40.4176.6-172.2177.7-177173.30.9111.7Q379 L380 E381 A386 L387Q379-R383 VanDerWaalsContact O-CB 3.32Å; Q379-R383 WeakPolarHBondContact O-CB 3.36Å; Q379-R383 PolarHBondContact O-N 3.34Å; L380-R383 PolarHBondContact O-N 3.28Å; E381-R383 VanDerWaalsContact C-N 3.31Å; E381-R383 PolarHBondContact O-N 3.45Å; R383-A386 PolarHBondContact O-N 3.18Å; R383-L387 HydrophobicContact CG-CD1 4.33Å; R383-L387 VanDerWaalsContact O-CG 3.31Å; R383-L387 WeakPolarHBondContact O-CG 3.18Å; R383-L387 PolarHBondContact O-N 3.17Å
384W96.1Very high93.8Very high167 Ų16799.6 Ų99.663%0.63350%0.499SS*.Hα-helixtrans-63.2-48.4176.5176.682.3000111.1L380 E381 A386 L387 V388L380-W384 WeakPolarHBondContact O-CB 3.34Å; L380-W384 PolarHBondContact O-N 3.01Å; E381-W384 PolarHBondContact O-N 3.04Å; W384-A386 VanDerWaalsContact C-N 3.31Å; W384-A386 PolarHBondContact O-N 2.88Å; W384-L387 PolarHBondContact O-N 2.98Å; W384-L387 VanDerWaalsContact O-N 3.14Å; W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CG-CG2 4.47Å; W384-V388 HydrophobicContact CH2-CG2 4.34Å; W384-V388 HydrophobicContact CZ2-CG2 3.8Å; W384-V388 WeakPolarHBondContact O-CG2 3.46Å; W384-V388 PolarHBondContact O-N 3.18Å
385V95.9Very high94.1Very high72 Ų72105.5 Ų105.544%0.43653%0.525SS..Hα-helixtrans-56.7-47.1175.3174.30000110.4E381 L387 V388 T389E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.29Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.96Å; V385-V388 PolarHBondContact O-N 3.44Å; V385-T389 WeakPolarHBondContact O-CB 3.41Å; V385-T389 PolarHBondContact O-N 2.92Å; V385-T389 PolarHBondContact O-OG1 3.33Å
386A96Very high94.4Very high61 Ų61109.6 Ų109.650%0.50453%0.533SS..Hα-helixtrans-60.7-39.5178.200000113.1A382 R383 W384 K390A382-A386 WeakPolarHBondContact O-CB 3.22Å; A382-A386 PolarHBondContact O-N 2.91Å; R383-A386 PolarHBondContact O-N 3.18Å; W384-A386 VanDerWaalsContact C-N 3.31Å; W384-A386 PolarHBondContact O-N 2.88Å; A386-K390 VanDerWaalsContact O-CB 3.3Å; A386-K390 WeakPolarHBondContact O-CB 3.39Å; A386-K390 PolarHBondContact O-N 3.29Å
387L96Very high94.7Very high91 Ų91106 Ų10648%0.47652%0.524SS..Hα-helixtrans-67.8-42.7176.3-74.1171.8000112R383 W384 V385 K390 N391R383-L387 HydrophobicContact CG-CD1 4.33Å; R383-L387 VanDerWaalsContact O-CG 3.31Å; R383-L387 WeakPolarHBondContact O-CG 3.18Å; R383-L387 PolarHBondContact O-N 3.17Å; W384-L387 PolarHBondContact O-N 2.98Å; W384-L387 VanDerWaalsContact O-N 3.14Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.96Å; L387-K390 PolarHBondContact O-N 3.07Å; L387-N391 WeakPolarHBondContact O-CB 3.41Å; L387-N391 VanDerWaalsContact O-CG 3.28Å; L387-N391 PolarHBondContact O-N 3.11Å
388V95.4Very high94.9Very high65 Ų65105.9 Ų105.939%0.39453%0.529SS..Hα-helixtrans-63.5-45.5177.1172.80000110.6W384 V385 K390 N391 Y392W384-V388 HydrophobicContact CD2-CG2 4.03Å; W384-V388 HydrophobicContact CG-CG2 4.47Å; W384-V388 HydrophobicContact CH2-CG2 4.34Å; W384-V388 HydrophobicContact CZ2-CG2 3.8Å; W384-V388 WeakPolarHBondContact O-CG2 3.46Å; W384-V388 PolarHBondContact O-N 3.18Å; V385-V388 PolarHBondContact O-N 3.44Å; V388-K390 VanDerWaalsContact C-N 3.35Å; V388-K390 PolarHBondContact O-N 3.35Å; V388-N391 PolarHBondContact O-N 3.04Å; V388-Y392 WeakPolarHBondContact O-CB 3.3Å; V388-Y392 PolarHBondContact O-N 3.39Å
389T95.9Very high95.1Very high67 Ų67101.7 Ų101.741%0.41152%0.518SS..Hα-helixtrans-60.6-44.4175.7-55.20000111.3V385 N391 Y392 E393V385-T389 WeakPolarHBondContact O-CB 3.41Å; V385-T389 PolarHBondContact O-N 2.92Å; V385-T389 PolarHBondContact O-OG1 3.33Å; T389-N391 PolarHBondContact O-N 3.15Å; T389-Y392 WeakPolarHBondContact O-CB 3.41Å; T389-Y392 PolarHBondContact O-N 2.97Å; T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.76Å
390K96.1Very high95.1Very high124 Ų12498.6 Ų98.654%0.53951%0.506SS..Hα-helixtrans-63.8-41.2177.6-173.3176.5-177.2177.70112.5A386 L387 V388 Y392 E393 I394A386-K390 VanDerWaalsContact O-CB 3.3Å; A386-K390 WeakPolarHBondContact O-CB 3.39Å; A386-K390 PolarHBondContact O-N 3.29Å; L387-K390 PolarHBondContact O-N 3.07Å; V388-K390 VanDerWaalsContact C-N 3.35Å; V388-K390 PolarHBondContact O-N 3.35Å; K390-Y392 VanDerWaalsContact C-N 3.34Å; K390-E393 PolarHBondContact O-N 3.19Å; K390-I394 HydrophobicContact CG-CD1 4.01Å; K390-I394 WeakPolarHBondContact O-CD1 3.4Å; K390-I394 VanDerWaalsContact O-CG1 3.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.34Å; K390-I394 PolarHBondContact O-N 3.39Å
391N94.8Very high95.1Very high91 Ų9198.3 Ų98.349%0.48750%0.504SS..Hα-helixtrans-62.9-43.4176.2-74.2-10000111L387 V388 T389 E393 I394 E395L387-N391 WeakPolarHBondContact O-CB 3.41Å; L387-N391 VanDerWaalsContact O-CG 3.28Å; L387-N391 PolarHBondContact O-N 3.11Å; V388-N391 PolarHBondContact O-N 3.04Å; T389-N391 PolarHBondContact O-N 3.15Å; N391-E393 PolarHBondContact O-N 3.38Å; N391-I394 PolarHBondContact O-N 2.94Å; N391-E395 WeakPolarHBondContact O-CG 3.43Å; N391-E395 PolarHBondContact O-N 3.49Å
392Y94.9Very high95.2Very high150 Ų15096 Ų9659%0.58850%0.499SS*.Hα-helixtrans-61.1-42.5175.2178.2-99.8000112.4V388 T389 K390 I394 E395 K396V388-Y392 WeakPolarHBondContact O-CB 3.3Å; V388-Y392 PolarHBondContact O-N 3.39Å; T389-Y392 WeakPolarHBondContact O-CB 3.41Å; T389-Y392 PolarHBondContact O-N 2.97Å; K390-Y392 VanDerWaalsContact C-N 3.34Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; Y392-I394 PolarHBondContact O-N 3.24Å; Y392-E395 PolarHBondContact O-N 2.96Å; Y392-K396 WeakPolarHBondContact O-CB 3.23Å; Y392-K396 PolarHBondContact O-N 3.17Å
393E96.2Very high95Very high117 Ų11797.1 Ų97.155%0.54750%0.497SS..Hα-helixtrans-62.3-40.1175.2-73.6171.6-179.300112.3T389 K390 N391 A397T389-E393 WeakPolarHBondContact O-CG 3.46Å; T389-E393 PolarHBondContact O-N 2.76Å; K390-E393 PolarHBondContact O-N 3.19Å; N391-E393 PolarHBondContact O-N 3.38Å; E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.03Å
394I95.1Very high94.8Very high85 Ų8593.6 Ų93.644%0.43649%0.487SS..Hα-helixtrans-67-46.6176.6-68.2164.2000110.7K390 N391 Y392 K396 A397 C398K390-I394 HydrophobicContact CG-CD1 4.01Å; K390-I394 WeakPolarHBondContact O-CD1 3.4Å; K390-I394 VanDerWaalsContact O-CG1 3.24Å; K390-I394 WeakPolarHBondContact O-CG1 3.34Å; K390-I394 PolarHBondContact O-N 3.39Å; N391-I394 PolarHBondContact O-N 2.94Å; Y392-I394 VanDerWaalsContact C-N 3.34Å; Y392-I394 PolarHBondContact O-N 3.24Å; I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.36Å; I394-A397 PolarHBondContact O-N 2.97Å; I394-C398 WeakPolarHBondContact O-CB 3.33Å; I394-C398 PolarHBondContact O-N 3.3Å; I394-C398 PolarHBondContact O-SG 3.09Å
395E94.4Very high94.5Very high136 Ų13689 Ų8964%0.63648%0.478SS*.Hα-helixtrans-59.3-43.4177.8-76.4177.2178.300111.5N391 Y392 C398 S399N391-E395 WeakPolarHBondContact O-CG 3.43Å; N391-E395 PolarHBondContact O-N 3.49Å; Y392-E395 PolarHBondContact O-N 2.96Å; E395-C398 PolarHBondContact O-N 2.71Å; E395-S399 PolarHBondContact O-N 3.08Å
396K95.3Very high94.2Very high119 Ų11987.6 Ų87.652%0.51747%0.474SS..Hα-helixtrans-61.7-47.3175-173.1179.5177.7-176.70111.6Y392 I394 C398 S399 D400Y392-K396 WeakPolarHBondContact O-CB 3.23Å; Y392-K396 PolarHBondContact O-N 3.17Å; I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.36Å; K396-C398 VanDerWaalsContact C-N 3.34Å; K396-C398 PolarHBondContact O-N 3.41Å; K396-S399 WeakPolarHBondContact O-CB 3.41Å; K396-S399 PolarHBondContact O-N 3.17Å; K396-D400 VanDerWaalsContact O-CG 3.3Å; K396-D400 PolarHBondContact O-N 2.97Å
397A95.7Very high93.8Very high46 Ų4691 Ų9138%0.3848%0.479SS..Hα-helixtrans-63.2-38.1177.900000112.5E393 I394 D400 L401E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.03Å; I394-A397 PolarHBondContact O-N 2.97Å; A397-D400 PolarHBondContact O-N 3.29Å; A397-L401 WeakPolarHBondContact O-CB 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.45Å; A397-L401 PolarHBondContact O-N 2.89Å
398C93.7Very high93.5Very high70 Ų7091.7 Ų91.747%0.47348%0.482SS..Hα-helixtrans-64.4-42.1174-73.30000111.5I394 E395 K396 L401 T402I394-C398 WeakPolarHBondContact O-CB 3.33Å; I394-C398 PolarHBondContact O-N 3.3Å; I394-C398 PolarHBondContact O-SG 3.09Å; E395-C398 PolarHBondContact O-N 2.71Å; K396-C398 VanDerWaalsContact C-N 3.34Å; K396-C398 PolarHBondContact O-N 3.41Å; C398-L401 PolarHBondContact O-N 3.31Å; C398-T402 WeakPolarHBondContact O-CG2 3.21Å; C398-T402 PolarHBondContact O-N 3.5Å; C398-T402 PolarHBondContact O-OG1 3.47Å
399S93.6Very high93Very high60 Ų6094.7 Ų94.742%0.4249%0.492SS..Hα-helixtrans-61.7-47.5175.6-168.10000111.5E395 K396 L401 T402 D403E395-S399 PolarHBondContact O-N 3.08Å; K396-S399 WeakPolarHBondContact O-CB 3.41Å; K396-S399 PolarHBondContact O-N 3.17Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 2.9Å; S399-T402 VanDerWaalsContact CA-OG1 3.31Å; S399-T402 WeakPolarHBondContact CA-OG1 3.42Å; S399-T402 PolarHBondContact O-N 2.88Å; S399-T402 PolarHBondContact O-OG1 3.25Å; S399-D403 PolarHBondContact O-N 2.92Å
400D94.5Very high92.5Very high77 Ų7796 Ų9641%0.41250%0.497SS..Hα-helixtrans-61.3-39.2178-67.2-19.7000111K396 A397 Q404K396-D400 VanDerWaalsContact O-CG 3.3Å; K396-D400 PolarHBondContact O-N 2.97Å; A397-D400 PolarHBondContact O-N 3.29Å; D400-Q404 VanDerWaalsContact O-CG 3.22Å; D400-Q404 WeakPolarHBondContact O-CG 3.37Å; D400-Q404 PolarHBondContact O-N 3.46Å
401L93.6Very high92Very high100 Ų10092.3 Ų92.352%0.52449%0.489SS..Hα-helixtrans-68.4-40.7175.4-75.8171.2000112.4A397 C398 S399 D403 Q404 T405A397-L401 WeakPolarHBondContact O-CB 3.5Å; A397-L401 VanDerWaalsContact O-CG 3.25Å; A397-L401 WeakPolarHBondContact O-CG 3.45Å; A397-L401 PolarHBondContact O-N 2.89Å; C398-L401 PolarHBondContact O-N 3.31Å; S399-L401 VanDerWaalsContact C-N 3.28Å; S399-L401 PolarHBondContact O-N 2.9Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.94Å; L401-Q404 PolarHBondContact O-N 3.39Å; L401-T405 WeakPolarHBondContact O-CG2 3.35Å; L401-T405 PolarHBondContact O-N 3.47Å; L401-T405 PolarHBondContact O-OG1 3.44Å
402T93.5Very high91.3Very high80 Ų8092.3 Ų92.349%0.49149%0.489SS..Hα-helixtrans-64.6-37.6176.247.70000112.1C398 S399 T405 A406C398-T402 WeakPolarHBondContact O-CG2 3.21Å; C398-T402 PolarHBondContact O-N 3.5Å; C398-T402 PolarHBondContact O-OG1 3.47Å; S399-T402 VanDerWaalsContact CA-OG1 3.31Å; S399-T402 WeakPolarHBondContact CA-OG1 3.42Å; S399-T402 PolarHBondContact O-N 2.88Å; S399-T402 PolarHBondContact O-OG1 3.25Å; T402-T405 WeakPolarHBondContact CA-OG1 3Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 PolarHBondContact O-OG1 2.89Å; T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.25Å; T402-A406 PolarHBondContact O-N 3.31Å
403D91.8Very high90.5Very high87 Ų8789.9 Ų89.947%0.46549%0.486SS..Hα-helixtrans-66.1-41.2174.9-71.1-17.9000110.7S399 L401 A406 Q407S399-D403 PolarHBondContact O-N 2.92Å; L401-D403 VanDerWaalsContact C-N 3.31Å; L401-D403 PolarHBondContact O-N 2.94Å; D403-A406 PolarHBondContact O-N 3.29Å; D403-Q407 WeakPolarHBondContact O-CB 3.25Å; D403-Q407 WeakPolarHBondContact O-CG 3.43Å; D403-Q407 PolarHBondContact O-N 3.48Å
404Q91.8Very high89.2Confident100 Ų10091.1 Ų91.147%0.46749%0.492SS..Hα-helixtrans-64.7-44.1174.6-73.5169.625.100112.3D400 L401 Q407 I408D400-Q404 VanDerWaalsContact O-CG 3.22Å; D400-Q404 WeakPolarHBondContact O-CG 3.37Å; D400-Q404 PolarHBondContact O-N 3.46Å; L401-Q404 PolarHBondContact O-N 3.39Å; Q404-Q407 PolarHBondContact O-N 3.06Å; Q404-I408 VanDerWaalsContact O-CG1 3.25Å; Q404-I408 WeakPolarHBondContact O-CG1 3.34Å; Q404-I408 PolarHBondContact O-N 2.83Å
405T89.5Confident87.8Confident72 Ų7295 Ų9544%0.44251%0.508SS..Hα-helixtrans-65.2-40.7177.4520000111.4L401 T402 Q407 I408 E409L401-T405 WeakPolarHBondContact O-CG2 3.35Å; L401-T405 PolarHBondContact O-N 3.47Å; L401-T405 PolarHBondContact O-OG1 3.44Å; T402-T405 WeakPolarHBondContact CA-OG1 3Å; T402-T405 PolarHBondContact O-N 3.41Å; T402-T405 PolarHBondContact O-OG1 2.89Å; T405-Q407 VanDerWaalsContact C-N 3.33Å; T405-Q407 PolarHBondContact O-N 2.97Å; T405-I408 PolarHBondContact O-N 2.98Å; T405-E409 WeakPolarHBondContact O-CB 3.45Å; T405-E409 WeakPolarHBondContact O-CG 3.45Å; T405-E409 PolarHBondContact O-N 3Å
406A89.8Confident86Confident41 Ų4195 Ų9534%0.33951%0.508SS..Hα-helixtrans-63.8-37.9175.100000112T402 D403 N410T402-A406 VanDerWaalsContact O-CB 3.32Å; T402-A406 WeakPolarHBondContact O-CB 3.25Å; T402-A406 PolarHBondContact O-N 3.31Å; D403-A406 PolarHBondContact O-N 3.29Å; A406-N410 VanDerWaalsContact O-CB 3.32Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 3.33Å; A406-N410 PolarHBondContact O-ND2 3.48Å
407Q88.8Confident84Confident134 Ų13494.1 Ų94.163%0.62651%0.513SS*.Hα-helixtrans-64.3-42.5173.1-74.4169.726.700112D403 Q404 T405 A411D403-Q407 WeakPolarHBondContact O-CB 3.25Å; D403-Q407 WeakPolarHBondContact O-CG 3.43Å; D403-Q407 PolarHBondContact O-N 3.48Å; Q404-Q407 PolarHBondContact O-N 3.06Å; T405-Q407 VanDerWaalsContact C-N 3.33Å; T405-Q407 PolarHBondContact O-N 2.97Å; Q407-A411 WeakPolarHBondContact O-CB 3.39Å; Q407-A411 PolarHBondContact O-N 3.3Å
408I88.2Confident81.9Confident104 Ų10497.9 Ų97.953%0.53353%0.533SS..Hα-helixtrans-66.9-45.3178.2-67.6164.8000111Q404 T405 N410 A411 L412Q404-I408 VanDerWaalsContact O-CG1 3.25Å; Q404-I408 WeakPolarHBondContact O-CG1 3.34Å; Q404-I408 PolarHBondContact O-N 2.83Å; T405-I408 PolarHBondContact O-N 2.98Å; I408-N410 VanDerWaalsContact C-N 3.34Å; I408-N410 PolarHBondContact O-N 2.81Å; I408-A411 PolarHBondContact O-N 2.84Å; I408-A411 VanDerWaalsContact O-N 3.17Å; I408-L412 HydrophobicContact CG2-CD1 4.47Å; I408-L412 PolarHBondContact O-N 3.12Å
409E86.6Confident79.7Confident128 Ų128102.5 Ų102.560%0.59855%0.55SS*.Hα-helixtrans-60.4-42.4176.3-75.6178.1172.900111.7T405 L412 N413T405-E409 WeakPolarHBondContact O-CB 3.45Å; T405-E409 WeakPolarHBondContact O-CG 3.45Å; T405-E409 PolarHBondContact O-N 3Å; E409-L412 PolarHBondContact O-N 3.29Å; E409-N413 WeakPolarHBondContact O-CB 3.44Å; E409-N413 PolarHBondContact O-N 3.14Å; E409-N413 PolarHBondContact O-ND2 3.44Å
410N84.4Confident77.1Confident95 Ų95108.2 Ų108.251%0.50857%0.57SS.*Hα-helixtrans-64.3-38.7174.2-75.1-33.9000112.4A406 I408 Q414A406-N410 VanDerWaalsContact O-CB 3.32Å; A406-N410 WeakPolarHBondContact O-CB 3.42Å; A406-N410 PolarHBondContact O-N 3.33Å; A406-N410 PolarHBondContact O-ND2 3.48Å; I408-N410 VanDerWaalsContact C-N 3.34Å; I408-N410 PolarHBondContact O-N 2.81Å; N410-Q414 VanDerWaalsContact O-CG 3.29Å; N410-Q414 WeakPolarHBondContact O-CG 3.46Å; N410-Q414 PolarHBondContact O-N 3.25Å; N410-Q414 VanDerWaalsContact O-N 3.11Å
411A85.7Confident74.4Confident47 Ų47116.5 Ų116.539%0.38861%0.613SS.*Hα-helixtrans-68.3-38.1177.100000112.4Q407 I408 Q414 Q415Q407-A411 WeakPolarHBondContact O-CB 3.39Å; Q407-A411 PolarHBondContact O-N 3.3Å; I408-A411 PolarHBondContact O-N 2.84Å; I408-A411 VanDerWaalsContact O-N 3.17Å; A411-Q414 PolarHBondContact O-N 3.08Å; A411-Q415 WeakPolarHBondContact O-CG 3.43Å; A411-Q415 PolarHBondContact O-N 2.95Å
412L80Confident73.4Confident91 Ų91117.3 Ų117.348%0.47662%0.617SS.*Hα-helixtrans-66.4-45176.2-127.3123.5000111.1I408 E409 Q414 Q415 E416I408-L412 HydrophobicContact CG2-CD1 4.47Å; I408-L412 PolarHBondContact O-N 3.12Å; E409-L412 PolarHBondContact O-N 3.29Å; L412-Q414 VanDerWaalsContact C-N 3.27Å; L412-Q414 PolarHBondContact O-N 2.96Å; L412-Q415 PolarHBondContact O-N 2.8Å; L412-E416 PolarHBondContact O-N 2.75Å
413N77.8Confident72.4Confident99 Ų99119.3 Ų119.353%0.52962%0.624SS.*Hα-helixtrans-61.5-32.8175.5-78.1-22.2000112.9E409E409-N413 WeakPolarHBondContact O-CB 3.44Å; E409-N413 PolarHBondContact O-N 3.14Å; E409-N413 PolarHBondContact O-ND2 3.44Å
414Q70.5Confident71.3Confident143 Ų143121.1 Ų121.167%0.66863%0.633SS**Hα-helixtrans-73.3-25.9174.3-74174.116.100113.3N410 A411 L412 T417N410-Q414 VanDerWaalsContact O-CG 3.29Å; N410-Q414 WeakPolarHBondContact O-CG 3.46Å; N410-Q414 PolarHBondContact O-N 3.25Å; N410-Q414 VanDerWaalsContact O-N 3.11Å; A411-Q414 PolarHBondContact O-N 3.08Å; L412-Q414 VanDerWaalsContact C-N 3.27Å; L412-Q414 PolarHBondContact O-N 2.96Å; Q414-T417 PolarHBondContact O-OG1 3.49Å
415Q63.9Low70.1Confident166 Ų166122.3 Ų122.378%0.77664%0.643SS**Hα-helixtrans-80.5-29173.8-71.7-178.11.100112.2A411 L412 T417A411-Q415 WeakPolarHBondContact O-CG 3.43Å; A411-Q415 PolarHBondContact O-N 2.95Å; L412-Q415 PolarHBondContact O-N 2.8Å; Q415-T417 VanDerWaalsContact C-N 3.29Å; Q415-T417 PolarHBondContact O-N 2.91Å
416E57.9Low68.9Low135 Ų135125.4 Ų125.463%0.63166%0.655SS**SBendtrans-79.1-4.9177.4-72.8-171.617100114.1L412 P418L412-E416 PolarHBondContact O-N 2.75Å; E416-P418 WeakPolarHBondContact O-CD 3.4Å
417T52.3Low67.5Low101 Ų101131.1 Ų131.162%0.6268%0.676SS**  trans-86.1104.3168.748.60000111Q414 Q415Q414-T417 PolarHBondContact O-OG1 3.49Å; Q415-T417 VanDerWaalsContact C-N 3.29Å; Q415-T417 PolarHBondContact O-N 2.91Å
418P51.2Low66Low125 Ų125130.9 Ų130.981%0.81268%0.68SS**  trans-83.7134.5177-2.825.3000110.2E416E416-P418 WeakPolarHBondContact O-CD 3.4Å
419M48Very low64.2Low167 Ų167132.9 Ų132.982%0.82369%0.691SS**  trans-60.2135.8170-80.2179.5-69.900113
420E40.2Very low62.4Low180 Ų180133.3 Ų133.384%0.84170%0.699SS**  trans70.2122.4150.4-60.7171.2179.700117
421L36.7Very low60.4Low251 Ų251136.8 Ų136.8100%1.31472%0.716SS**  cis-130.1036.8-89.3152.3000114.3

Retrieved 421 of 421 residues in 282.9 ms (Link to these results)