A0A673Y7P4_SALTR Loading...

Carboxylesterase type B domain-containing protein

AlphaFold DB , UniProt , Accession A0A673Y7P4, Species SALTR (Salmo trutta, Brown trout), Gene n/a, Length 221 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
1M96.1Very high97.9Very high187 Ų187118 Ų11892%0.92159%0.592SS**  0-64.60-175.1179.174.200111.4D3 C4 L5M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.73Å; M1-C4 WeakPolarHBondContact O-CA 3.48Å; M1-C4 VanDerWaalsContact O-CB 3.22Å; M1-C4 WeakPolarHBondContact O-CB 3.45Å; M1-C4 PolarHBondContact O-N 3.35Å; M1-L5 PolarHBondContact O-N 3.1Å
2V97.8Very high98Very high71 Ų71114.4 Ų114.443%0.4357%0.572SS.*Hα-helixtrans-55-43.2-177.5-177.10000113.1C4 L5 R6V2-C4 PolarHBondContact O-N 3.24Å; V2-C4 VanDerWaalsContact O-N 3.15Å; V2-L5 WeakPolarHBondContact O-CB 3.38Å; V2-L5 PolarHBondContact O-N 2.8Å; V2-R6 HydrophobicContact CG1-CG 4.48Å; V2-R6 VanDerWaalsContact CG1-CZ 3.48Å; V2-R6 PolarHBondContact O-N 2.99Å
3D98.3Very high98Very high104 Ų104111.6 Ų111.656%0.55656%0.559SS**Hα-helixtrans-65.1-19.1177.8-60.8-34.4000114.2M1 R6 K7M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.73Å; D3-R6 IonicContact OD1-CZ 3.96Å; D3-R6 IonicContact OD1-NH1 2.8Å; D3-R6 PolarHBondContact OD1-NH1 3.11Å; D3-K7 WeakPolarHBondContact O-CG 3.41Å
4C98.3Very high98Very high80 Ų80112.6 Ų112.654%0.54157%0.574SS.*Hα-helixtrans-77.2-45.1170.6-169.50000110.5M1 V2 R6 K7M1-C4 WeakPolarHBondContact O-CA 3.48Å; M1-C4 VanDerWaalsContact O-CB 3.22Å; M1-C4 WeakPolarHBondContact O-CB 3.45Å; M1-C4 PolarHBondContact O-N 3.35Å; V2-C4 PolarHBondContact O-N 3.24Å; V2-C4 VanDerWaalsContact O-N 3.15Å; C4-R6 VanDerWaalsContact C-N 3.28Å; C4-R6 PolarHBondContact O-N 3.2Å; C4-K7 WeakPolarHBondContact O-CB 3.4Å; C4-K7 PolarHBondContact O-N 3.02Å
5L97.9Very high97.9Very high86 Ų86112.9 Ų112.945%0.4557%0.572SS.*Hα-helixtrans-60-38.8176.8-67.5170.9000111.7M1 V2 K7 K8 L13M1-L5 PolarHBondContact O-N 3.1Å; V2-L5 WeakPolarHBondContact O-CB 3.38Å; V2-L5 PolarHBondContact O-N 2.8Å; L5-K7 PolarHBondContact O-N 3.37Å; L5-K7 VanDerWaalsContact O-N 3.11Å; L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 PolarHBondContact O-N 2.96Å; L5-L13 HydrophobicContact CD2-CD2 4.01Å
6R97.9Very high97.9Very high180 Ų180113.1 Ų113.168%0.67957%0.57SS**THydrogen-bonded Turntrans-60.7-18.8174.9-71.4-179.3178.5127.3-0.6114.4V2 D3 C4V2-R6 HydrophobicContact CG1-CG 4.48Å; V2-R6 VanDerWaalsContact CG1-CZ 3.48Å; V2-R6 PolarHBondContact O-N 2.99Å; D3-R6 IonicContact OD1-CZ 3.96Å; D3-R6 IonicContact OD1-NH1 2.8Å; D3-R6 PolarHBondContact OD1-NH1 3.11Å; C4-R6 VanDerWaalsContact C-N 3.28Å; C4-R6 PolarHBondContact O-N 3.2Å
7K98.4Very high97.9Very high177 Ų177114.2 Ų114.277%0.7758%0.578SS**THydrogen-bonded Turntrans-88.1-10.1176.8-64.1173.2-174.8-178.50112.9D3 C4 L5D3-K7 WeakPolarHBondContact O-CG 3.41Å; C4-K7 WeakPolarHBondContact O-CB 3.4Å; C4-K7 PolarHBondContact O-N 3.02Å; L5-K7 PolarHBondContact O-N 3.37Å; L5-K7 VanDerWaalsContact O-N 3.11Å
8K98.3Very high97.8Very high93 Ų93112.6 Ų112.640%0.40457%0.57SS.*SBendtrans-84.7153.7177.7-58.4-51.1-157.61440110.6L5 E12 L13L5-K8 WeakPolarHBondContact O-CB 3.39Å; L5-K8 PolarHBondContact O-N 2.96Å; K8-E12 WeakPolarHBondContact CD-OE1 3.42Å; K8-E12 VanDerWaalsContact CE-OE1 3.3Å; K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.47Å; K8-E12 PolarHBondContact NZ-OE1 3.03Å; K8-E12 IonicContact NZ-OE2 3.35Å; K8-L13 HydrophobicContact CB-CD2 3.89Å; K8-L13 HydrophobicContact CB-CG 4.15Å; K8-L13 HydrophobicContact CG-CD2 4.37Å
9S98.5Very high97.8Very high66 Ų66114.6 Ų114.646%0.46258%0.577SS.*  trans-72.7150.2173.8740000110.4R11 E12 L13S9-R11 PolarHBondContact O-N 2.76Å; S9-E12 WeakPolarHBondContact O-CB 3.47Å; S9-E12 PolarHBondContact O-N 3.15Å; S9-E12 VanDerWaalsContact O-N 3.1Å; S9-E12 WeakPolarHBondContact OG-CB 3.38Å; S9-E12 PolarHBondContact OG-N 3.21Å; S9-E12 VanDerWaalsContact OG-N 3.16Å; S9-L13 PolarHBondContact O-N 2.93Å
10A97.6Very high97.7Very high76 Ų76111.6 Ų111.663%0.62857%0.566SS**Hα-helixtrans-56.6-38.1176.800000112.1L13 V14A10-L13 PolarHBondContact O-N 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.28Å
11R98.3Very high97.6Very high178 Ų178109.4 Ų109.467%0.67257%0.565SS**Hα-helixtrans-60-47.1176-179176.9177.7141.213.8112S9 L13 V14 E15S9-R11 PolarHBondContact O-N 2.76Å; R11-L13 PolarHBondContact O-N 3.16Å; R11-V14 PolarHBondContact O-N 3.02Å; R11-E15 VanDerWaalsContact CG-CD 3.48Å; R11-E15 HydrophobicContact CG-CG 4.11Å; R11-E15 WeakPolarHBondContact CG-OE2 3.34Å; R11-E15 IonicContact CZ-OE1 3.13Å; R11-E15 VanDerWaalsContact NE-CD 3.35Å; R11-E15 IonicContact NE-OE1 2.73Å; R11-E15 PolarHBondContact NE-OE1 3.27Å; R11-E15 IonicContact NE-OE2 3.35Å; R11-E15 PolarHBondContact NE-OE2 2.99Å; R11-E15 IonicContact NH2-OE1 3.86Å; R11-E15 PolarHBondContact NH2-OE1 2.69Å; R11-E15 WeakPolarHBondContact O-CB 3.22Å; R11-E15 WeakPolarHBondContact O-CG 3.3Å; R11-E15 PolarHBondContact O-N 3.27Å
12E98.2Very high97.5Very high75 Ų75106.2 Ų106.235%0.3554%0.543SS..Hα-helixtrans-59.9-33.7178-174.7-179.3166.200111.9K8 S9 Q16K8-E12 WeakPolarHBondContact CD-OE1 3.42Å; K8-E12 VanDerWaalsContact CE-OE1 3.3Å; K8-E12 WeakPolarHBondContact CE-OE1 3.37Å; K8-E12 IonicContact NZ-OE1 3.47Å; K8-E12 PolarHBondContact NZ-OE1 3.03Å; K8-E12 IonicContact NZ-OE2 3.35Å; S9-E12 WeakPolarHBondContact O-CB 3.47Å; S9-E12 PolarHBondContact O-N 3.15Å; S9-E12 VanDerWaalsContact O-N 3.1Å; S9-E12 WeakPolarHBondContact OG-CB 3.38Å; S9-E12 PolarHBondContact OG-N 3.21Å; S9-E12 VanDerWaalsContact OG-N 3.16Å; E12-Q16 WeakPolarHBondContact O-CG 3.42Å; E12-Q16 PolarHBondContact O-NE2 2.81Å
13L98.1Very high97.4Very high78 Ų78105.7 Ų105.741%0.40853%0.533SS..Hα-helixtrans-74.3-44177.4-61176.8000112.5L5 K8 S9 A10 R11L5-L13 HydrophobicContact CD2-CD2 4.01Å; K8-L13 HydrophobicContact CB-CD2 3.89Å; K8-L13 HydrophobicContact CB-CG 4.15Å; K8-L13 HydrophobicContact CG-CD2 4.37Å; S9-L13 PolarHBondContact O-N 2.93Å; A10-L13 PolarHBondContact O-N 3.28Å; R11-L13 PolarHBondContact O-N 3.16Å
14V97.6Very high97.3Very high125 Ų125105.7 Ų105.776%0.75853%0.53SS*.Hα-helixtrans-76.2-27.5-174.5173.70000112.8A10 R11 Q16A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.28Å; R11-V14 PolarHBondContact O-N 3.02Å; V14-Q16 PolarHBondContact O-N 3.48Å
15E97.6Very high97.2Very high117 Ų117107.4 Ų107.455%0.54754%0.537SS..THydrogen-bonded Turntrans-78-0.6-180-71.4179.6155.300113.8R11R11-E15 VanDerWaalsContact CG-CD 3.48Å; R11-E15 HydrophobicContact CG-CG 4.11Å; R11-E15 WeakPolarHBondContact CG-OE2 3.34Å; R11-E15 IonicContact CZ-OE1 3.13Å; R11-E15 VanDerWaalsContact NE-CD 3.35Å; R11-E15 IonicContact NE-OE1 2.73Å; R11-E15 PolarHBondContact NE-OE1 3.27Å; R11-E15 IonicContact NE-OE2 3.35Å; R11-E15 PolarHBondContact NE-OE2 2.99Å; R11-E15 IonicContact NH2-OE1 3.86Å; R11-E15 PolarHBondContact NH2-OE1 2.69Å; R11-E15 WeakPolarHBondContact O-CB 3.22Å; R11-E15 WeakPolarHBondContact O-CG 3.3Å; R11-E15 PolarHBondContact O-N 3.27Å
16Q97.9Very high97.2Very high117 Ų117105.6 Ų105.655%0.54754%0.535SS..  trans-76.3137.2178.2-57.5-51.4-58.700111.6E12 V14 I18E12-Q16 WeakPolarHBondContact O-CG 3.42Å; E12-Q16 PolarHBondContact O-NE2 2.81Å; V14-Q16 PolarHBondContact O-N 3.48Å; Q16-I18 HydrophobicContact CB-CD1 4.23Å; Q16-I18 HydrophobicContact CB-CG1 4.22Å; Q16-I18 PolarHBondContact O-N 2.72Å
17D97.2Very high97.2Very high131 Ų131104.7 Ų104.770%0.70154%0.536SS*.  trans-87.8101.5175.3-172.413.7000110.4Q19D17-Q19 PolarHBondContact OD1-NE2 3.27Å
18I97.1Very high97.2Very high86 Ų8698.3 Ų98.344%0.44152%0.52SS..  trans-121.4104.2-178.4-59176000108.2Q16 A26 F27Q16-I18 HydrophobicContact CB-CD1 4.23Å; Q16-I18 HydrophobicContact CB-CG1 4.22Å; Q16-I18 PolarHBondContact O-N 2.72Å; I18-A26 HydrophobicContact CG2-CB 3.97Å; I18-F27 HydrophobicContact CB-CE2 4.11Å; I18-F27 HydrophobicContact CD1-CE2 3.58Å; I18-F27 HydrophobicContact CD1-CZ 3.67Å; I18-F27 HydrophobicContact CG1-CE2 4.42Å; I18-F27 HydrophobicContact CG2-CE2 3.9Å; I18-F27 HydrophobicContact CG2-CZ 4.37Å
19Q97.1Very high97.2Very high150 Ų15099.5 Ų99.570%0.70154%0.537SS*.  trans-94.3117.8-176.5-64-60.9-41.200110.9D17D17-Q19 PolarHBondContact OD1-NE2 3.27Å
20P96.5Very high97.2Very high54 Ų54101.1 Ų101.135%0.35155%0.545SS..  trans-74.3174.8171.631.3-32.9000111.5H24 A26P20-H24 WeakPolarHBondContact CB-O 3.2Å; P20-H24 WeakPolarHBondContact CG-O 3.13Å; P20-A26 HydrophobicContact CB-CB 3.99Å; P20-A26 HydrophobicContact CG-CB 4.28Å
21A95.4Very high97.2Very high66 Ų66102.1 Ų102.155%0.54554%0.538SS..SBendtrans-56.8149.2161.800000110Y23 H24A21-Y23 PolarHBondContact O-N 3.25Å; A21-H24 HydrophobicContact CB-CB 4.3Å; A21-H24 WeakPolarHBondContact O-CB 3.41Å; A21-H24 PolarHBondContact O-N 3Å
22R94.1Very high97.2Very high120 Ų12097.5 Ų97.545%0.45353%0.527SS..THydrogen-bonded Turntrans-56.7139.1179.2-169.1173.8179.4174.5-13.2110.2H24 D88R22-H24 PolarHBondContact O-N 2.99Å; R22-H24 PolarHBondContact O-ND1 3.17Å; R22-D88 IonicContact CZ-OD2 2.64Å; R22-D88 IonicContact NE-OD2 3.8Å; R22-D88 VanDerWaalsContact NH1-CG 3.31Å; R22-D88 IonicContact NH1-OD1 3.37Å; R22-D88 PolarHBondContact NH1-OD1 2.95Å; R22-D88 IonicContact NH1-OD2 2.73Å; R22-D88 PolarHBondContact NH1-OD2 3.4Å; R22-D88 IonicContact NH2-OD2 3.92Å; R22-D88 PolarHBondContact NH2-OD2 2.88Å
23Y95.6Very high97.2Very high60 Ų6096.5 Ų96.524%0.23554%0.537CS..THydrogen-bonded Turntrans64.39.6-175.3-43.1-54.3000115.9A21 F66 F89 S92 L93 F131A21-Y23 PolarHBondContact O-N 3.25Å; Y23-F66 WeakPolarHBondContact OH-CE2 3.22Å; Y23-F89 HydrophobicContact CE2-CD2 4.35Å; Y23-S92 VanDerWaalsContact CE2-CB 3.46Å; Y23-L93 HydrophobicContact CD2-CD1 4.28Å; Y23-L93 HydrophobicContact CD2-CD2 3.77Å; Y23-L93 HydrophobicContact CD2-CG 3.75Å; Y23-L93 HydrophobicContact CE2-CG 4.4Å; Y23-L93 HydrophobicContact CG-CD2 4.1Å; Y23-F131 AromaticContact CD1-CE2 3.74Å; Y23-F131 HydrophobicContact CD1-CE2 3.74Å; Y23-F131 AromaticContact CD1-CZ 3.64Å; Y23-F131 HydrophobicContact CD1-CZ 3.64Å; Y23-F131 AromaticContact CE1-CE2 3.35Å; Y23-F131 HydrophobicContact CE1-CE2 3.35Å; Y23-F131 AromaticContact CE1-CZ 3.49Å; Y23-F131 HydrophobicContact CE1-CZ 3.49Å; Y23-F131 VanDerWaalsContact CE1-CZ 3.49Å; Y23-F131 HydrophobicContact CE2-CE2 4.44Å; Y23-F131 HydrophobicContact CG-CE2 4.44Å; Y23-F131 AromaticContact CZ-CE2 3.74Å
24H96.2Very high97.2Very high105 Ų10599.2 Ų99.249%0.48655%0.552SS.*SBendtrans-115.2166.6174.4-62.373.6000110.6P20 A21 R22P20-H24 WeakPolarHBondContact CB-O 3.2Å; P20-H24 WeakPolarHBondContact CG-O 3.13Å; A21-H24 HydrophobicContact CB-CB 4.3Å; A21-H24 WeakPolarHBondContact O-CB 3.41Å; A21-H24 PolarHBondContact O-N 3Å; R22-H24 PolarHBondContact O-N 2.99Å; R22-H24 PolarHBondContact O-ND1 3.17Å
25V96.9Very high97.2Very high115 Ų11598.8 Ų98.870%0.69755%0.55SS*.  trans-109.5142176.1-64.50000110.7
26A97.6Very high97.2Very high48 Ų4895.3 Ų95.340%0.39753%0.534SS..SBendtrans-81.2-38.217700000112I18 P20I18-A26 HydrophobicContact CG2-CB 3.97Å; P20-A26 HydrophobicContact CB-CB 3.99Å; P20-A26 HydrophobicContact CG-CB 4.28Å
27F97.6Very high97.2Very high162 Ų16293.5 Ų93.571%0.71153%0.533SS*.SBendtrans-132.1117.8178.7-58.6-77.9000108.8I18I18-F27 HydrophobicContact CB-CE2 4.11Å; I18-F27 HydrophobicContact CD1-CE2 3.58Å; I18-F27 HydrophobicContact CD1-CZ 3.67Å; I18-F27 HydrophobicContact CG1-CE2 4.42Å; I18-F27 HydrophobicContact CG2-CE2 3.9Å; I18-F27 HydrophobicContact CG2-CZ 4.37Å
28G97.3Very high97.3Very high42 Ų4290.8 Ų90.843%0.43352%0.518SS..SBendtrans-166.9-167.1-177.900000111
29P98.3Very high97.3Very high118 Ų11889.7 Ų89.777%0.76651%0.513SS*.  trans-53.6145169.7-23.334.4000111.5I36P29-I36 HydrophobicContact CB-CD1 3.75Å
30V98.3Very high97.4Very high101 Ų10186.1 Ų86.161%0.61250%0.503SS*.  trans-133.2148.8177.2-62.90000109.3D32V30-D32 HydrophobicContact CG2-CB 4.36Å; V30-D32 PolarHBondContact O-N 3.05Å
31I98.4Very high97.4Very high96 Ų9689.4 Ų89.449%0.49251%0.513SS..  trans-72.895.6170.4-55.9167.6000107.1I36 D39I31-I36 HydrophobicContact CG1-CG2 4.21Å; I31-D39 HydrophobicContact CD1-CB 4.24Å
32D98.2Very high97.5Very high81 Ų8189.1 Ų89.143%0.43350%0.502SS..  trans-95.3-10.7-177.367.4-20.2000112.9V30 D34 V35 I36V30-D32 HydrophobicContact CG2-CB 4.36Å; V30-D32 PolarHBondContact O-N 3.05Å; D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact OD1-N 2.93Å; D32-D34 VanDerWaalsContact OD1-N 3.13Å; D32-V35 PolarHBondContact OD1-N 3.45Å; D32-V35 WeakPolarHBondContact OD2-CB 3.46Å; D32-V35 PolarHBondContact OD2-N 3.25Å; D32-I36 PolarHBondContact N-O 3.31Å; D32-I36 PolarHBondContact OD1-N 3.04Å
33G98.1Very high97.7Very high55 Ų5584.9 Ų84.957%0.56749%0.488SS*.SBendtrans78.48.5-177.600000113.8I36G33-I36 PolarHBondContact N-O 3.01Å
34D97.9Very high97.7Very high134 Ų13484 Ų8472%0.71749%0.487SS*.SBendtrans-131.8-68.7-179.5-174.424.8000110.8D32D32-D34 VanDerWaalsContact C-N 3.26Å; D32-D34 PolarHBondContact OD1-N 2.93Å; D32-D34 VanDerWaalsContact OD1-N 3.13Å
35V97.8Very high97.8Very high117 Ų11784.4 Ų84.471%0.70949%0.489SS*.SBendtrans-73.2-42.8176.2-179.40000111D32D32-V35 PolarHBondContact OD1-N 3.45Å; D32-V35 WeakPolarHBondContact OD2-CB 3.46Å; D32-V35 PolarHBondContact OD2-N 3.25Å
36I98.3Very high97.8Very high44 Ų4484.3 Ų84.323%0.22648%0.481CS..SBendtrans-118.195.9171.6-59-179.6000106.4P29 I31 D32 G33 D38P29-I36 HydrophobicContact CB-CD1 3.75Å; I31-I36 HydrophobicContact CG1-CG2 4.21Å; D32-I36 PolarHBondContact N-O 3.31Å; D32-I36 PolarHBondContact OD1-N 3.04Å; G33-I36 PolarHBondContact N-O 3.01Å; I36-D38 WeakPolarHBondContact CG2-O 3.46Å; I36-D38 PolarHBondContact O-N 3.28Å
37P98.1Very high97.7Very high79 Ų7982.9 Ų82.951%0.51347%0.471SS..  trans-65.2-33.2-170.6-25.935.7000114.9
38D98.4Very high97.6Very high73 Ų7381.5 Ų81.539%0.3947%0.467SS..SBendtrans-154-175.9-177.9-150-19.9000110.2I36 L43I36-D38 WeakPolarHBondContact CG2-O 3.46Å; I36-D38 PolarHBondContact O-N 3.28Å; D38-L43 HydrophobicContact CB-CD2 3.94Å; D38-L43 HydrophobicContact CB-CG 4.16Å; D38-L43 WeakPolarHBondContact O-CD1 3.35Å
39D98.2Very high97.4Very high64 Ų6481.7 Ų81.734%0.34246%0.456SS..  trans-54.3127.8173.2-164.4-57000111.3I31 E41 I42 L43I31-D39 HydrophobicContact CD1-CB 4.24Å; D39-E41 PolarHBondContact O-N 3.31Å; D39-E41 VanDerWaalsContact O-N 3.16Å; D39-E41 WeakPolarHBondContact OD1-CB 3.23Å; D39-E41 PolarHBondContact OD1-N 2.92Å; D39-I42 HydrophobicContact CB-CB 4.25Å; D39-I42 HydrophobicContact CB-CD1 3.91Å; D39-I42 HydrophobicContact CB-CG1 4Å; D39-I42 WeakPolarHBondContact O-CB 3.31Å; D39-I42 PolarHBondContact O-N 3.01Å; D39-L43 WeakPolarHBondContact O-CG 3.29Å; D39-L43 PolarHBondContact O-N 3.11Å
40P98.1Very high97.1Very high74 Ų7481.8 Ų81.848%0.48145%0.449SS..Hα-helixtrans-53.3-33178-28.135.9000114.6M44P40-M44 WeakPolarHBondContact O-CB 3.41Å; P40-M44 WeakPolarHBondContact O-CG 3.27Å; P40-M44 PolarHBondContact O-N 3.46Å
41E96.3Very high96.9Very high123 Ų12382.5 Ų82.558%0.57545%0.45SS*.Hα-helixtrans-63.5-48.5175.5-173.6174.6-167.800110.3D39 L43 M44 E45D39-E41 PolarHBondContact O-N 3.31Å; D39-E41 VanDerWaalsContact O-N 3.16Å; D39-E41 WeakPolarHBondContact OD1-CB 3.23Å; D39-E41 PolarHBondContact OD1-N 2.92Å; E41-L43 PolarHBondContact O-N 3.24Å; E41-M44 PolarHBondContact O-N 2.7Å; E41-E45 WeakPolarHBondContact O-CB 3.29Å; E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 3.31Å
42I97.9Very high96.8Very high61 Ų6184.6 Ų84.631%0.31345%0.452SS..Hα-helixtrans-61.6-44.6177.6-64176.5000111D39 M44 E45 Q46D39-I42 HydrophobicContact CB-CB 4.25Å; D39-I42 HydrophobicContact CB-CD1 3.91Å; D39-I42 HydrophobicContact CB-CG1 4Å; D39-I42 WeakPolarHBondContact O-CB 3.31Å; D39-I42 PolarHBondContact O-N 3.01Å; I42-M44 PolarHBondContact O-N 2.98Å; I42-E45 PolarHBondContact O-N 3.23Å; I42-Q46 HydrophobicContact CG2-CG 4.49Å; I42-Q46 WeakPolarHBondContact O-CB 3.21Å; I42-Q46 VanDerWaalsContact O-CG 3.26Å; I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 3.13Å
43L97.9Very high96.8Very high30 Ų3084 Ų8416%0.15745%0.449CS..Hα-helixtrans-61.7-43.9179.3-65.8176000111.3D38 D39 E41 Q46 G47 E48D38-L43 HydrophobicContact CB-CD2 3.94Å; D38-L43 HydrophobicContact CB-CG 4.16Å; D38-L43 WeakPolarHBondContact O-CD1 3.35Å; D39-L43 WeakPolarHBondContact O-CG 3.29Å; D39-L43 PolarHBondContact O-N 3.11Å; E41-L43 PolarHBondContact O-N 3.24Å; L43-Q46 PolarHBondContact O-N 3.34Å; L43-G47 PolarHBondContact O-N 3.39Å; L43-G47 VanDerWaalsContact O-N 3.13Å; L43-E48 HydrophobicContact CB-CB 4.23Å; L43-E48 HydrophobicContact CD2-CB 4.02Å; L43-E48 HydrophobicContact CD2-CG 4.38Å; L43-E48 WeakPolarHBondContact O-CB 3.45Å; L43-E48 PolarHBondContact O-N 3.02Å
44M97.1Very high96.8Very high42 Ų4283.9 Ų83.921%0.20744%0.435CS..Hα-helixtrans-68.4-39.5178.1-69.7-72.3-68.500112P40 E41 I42 Q46 G47 F49 T143 L146P40-M44 WeakPolarHBondContact O-CB 3.41Å; P40-M44 WeakPolarHBondContact O-CG 3.27Å; P40-M44 PolarHBondContact O-N 3.46Å; E41-M44 PolarHBondContact O-N 2.7Å; I42-M44 PolarHBondContact O-N 2.98Å; M44-Q46 PolarHBondContact O-N 2.99Å; M44-G47 PolarHBondContact O-N 2.94Å; M44-G47 VanDerWaalsContact O-N 3.16Å; M44-F49 HydrophobicContact CE-CE1 4.47Å; M44-F49 HydrophobicContact SD-CD1 3.76Å; M44-F49 HydrophobicContact SD-CE1 4.22Å; M44-T143 HydrophobicContact CE-CG2 3.83Å; M44-L146 HydrophobicContact CB-CB 4.49Å; M44-L146 HydrophobicContact CB-CD1 3.66Å; M44-L146 HydrophobicContact CE-CB 4.22Å
45E96.9Very high96.8Very high114 Ų11479.5 Ų79.553%0.53341%0.411SS..Hα-helixtrans-65.6-23.5174.4-77.2-168.8149.800113.9E41 I42 L146 Y150E41-E45 WeakPolarHBondContact O-CB 3.29Å; E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 3.31Å; I42-E45 PolarHBondContact O-N 3.23Å; E45-L146 HydrophobicContact CG-CD1 4.38Å; E45-L146 HydrophobicContact CG-CD2 4.42Å; E45-Y150 PolarHBondContact O-OH 3.3Å
46Q96.9Very high96.9Very high112 Ų11275.2 Ų75.252%0.52338%0.384SS..Hα-helixtrans-91.3-11.6175.4-69.6174.612.200112.5I42 L43 M44 E48I42-Q46 HydrophobicContact CG2-CG 4.49Å; I42-Q46 WeakPolarHBondContact O-CB 3.21Å; I42-Q46 VanDerWaalsContact O-CG 3.26Å; I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 3.13Å; L43-Q46 PolarHBondContact O-N 3.34Å; M44-Q46 PolarHBondContact O-N 2.99Å; Q46-E48 VanDerWaalsContact C-N 3.35Å; Q46-E48 HydrophobicContact CB-CG 3.9Å
47G95.1Very high96.9Very high19 Ų1974 Ų7420%0.19638%0.382CS..THydrogen-bonded Turntrans7525-174.100000113L43 M44 F49 Y150L43-G47 PolarHBondContact O-N 3.39Å; L43-G47 VanDerWaalsContact O-N 3.13Å; M44-G47 PolarHBondContact O-N 2.94Å; M44-G47 VanDerWaalsContact O-N 3.16Å; G47-F49 PolarHBondContact O-N 2.93Å; G47-Y150 PolarHBondContact N-OH 3.3Å
48E95.9Very high96.9Very high132 Ų13270.8 Ų70.862%0.61736%0.36SS*.  trans-77.654.7179.1-68-64.6146.400111.4L43 Q46L43-E48 HydrophobicContact CB-CB 4.23Å; L43-E48 HydrophobicContact CD2-CB 4.02Å; L43-E48 HydrophobicContact CD2-CG 4.38Å; L43-E48 WeakPolarHBondContact O-CB 3.45Å; L43-E48 PolarHBondContact O-N 3.02Å; Q46-E48 VanDerWaalsContact C-N 3.35Å; Q46-E48 HydrophobicContact CB-CG 3.9Å
49F93.8Very high96.9Very high47 Ų4767.3 Ų67.321%0.20634%0.342CS..SBendtrans-134.9150.8170.854.5-97000109.2M44 G47 H147 Y150M44-F49 HydrophobicContact CE-CE1 4.47Å; M44-F49 HydrophobicContact SD-CD1 3.76Å; M44-F49 HydrophobicContact SD-CE1 4.22Å; G47-F49 PolarHBondContact O-N 2.93Å; F49-H147 AromaticContact CD2-CD2 3.85Å; F49-H147 AromaticContact CE2-CD2 3.45Å; F49-H147 VanDerWaalsContact CE2-CD2 3.45Å; F49-H147 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H147 AromaticContact CZ-CD2 3.96Å; F49-Y150 AromaticContact CE1-CD2 3.91Å; F49-Y150 HydrophobicContact CE1-CD2 3.91Å; F49-Y150 HydrophobicContact CE1-CE2 4.47Å; F49-Y150 AromaticContact CZ-CD2 3.68Å; F49-Y150 HydrophobicContact CZ-CD2 3.68Å; F49-Y150 HydrophobicContact CZ-CG 4.05Å
50L92.4Very high97Very high119 Ų11967.3 Ų67.362%0.62334%0.34SS*.  trans-71.7149.1172.8-60.2-176000109.7Y52L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 HydrophobicContact CB-CD2 4.15Å; L50-Y52 HydrophobicContact CB-CE1 4.23Å; L50-Y52 HydrophobicContact CB-CE2 3.6Å; L50-Y52 WeakPolarHBondContact CD1-OH 3.5Å; L50-Y52 HydrophobicContact CG-CE2 4.44Å; L50-Y52 WeakPolarHBondContact O-CD2 3.37Å; L50-Y52 PolarHBondContact O-N 2.85Å
51N92.6Very high97Very high116 Ų11663.9 Ų63.962%0.6232%0.318SS*.  trans-70.286.8179.5-174.744.8000110.9S152N51-S152 WeakPolarHBondContact OD1-CA 3.23Å; N51-S152 VanDerWaalsContact OD1-CB 3.25Å; N51-S152 WeakPolarHBondContact OD1-CB 3.41Å; N51-S152 PolarHBondContact OD1-OG 3.29Å
52Y96.3Very high97.1Very high140 Ų14058.7 Ų58.755%0.54929%0.294SS..  trans-99155173.6-59.3-64.4000110.3L50 H147L50-Y52 VanDerWaalsContact C-N 3.32Å; L50-Y52 HydrophobicContact CB-CD2 4.15Å; L50-Y52 HydrophobicContact CB-CE1 4.23Å; L50-Y52 HydrophobicContact CB-CE2 3.6Å; L50-Y52 WeakPolarHBondContact CD1-OH 3.5Å; L50-Y52 HydrophobicContact CG-CE2 4.44Å; L50-Y52 WeakPolarHBondContact O-CD2 3.37Å; L50-Y52 PolarHBondContact O-N 2.85Å; Y52-H147 PolarHBondContact O-CE1 3.25Å; Y52-H147 PolarHBondContact O-NE2 3.12Å; Y52-H147 VanDerWaalsContact O-NE2 3.12Å
53D98.2Very high97.1Very high70 Ų7055.8 Ų55.837%0.37428%0.279SS..  trans-77131.3158.8-57.6-26.7000106.9P153 F217 G221D53-P153 HydrophobicContact CB-CB 4.33Å; D53-P153 WeakPolarHBondContact OD1-CB 3.19Å; D53-P153 VanDerWaalsContact OD1-CD 3.23Å; D53-P153 WeakPolarHBondContact OD1-CD 3.46Å; D53-P153 WeakPolarHBondContact OD1-CG 3.33Å; D53-F217 HydrophobicContact CB-CE2 3.9Å; D53-F217 HydrophobicContact CB-CZ 3.99Å; D53-F217 WeakPolarHBondContact O-CZ 3.43Å; D53-G221 WeakPolarHBondContact OD2-CA 3.44Å
54I98.4Very high97Very high51 Ų5155.1 Ų55.126%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-121.9135179.2-65.4-173.5000110.5L56 H147 P153 T154 Y155I54-L56 HydrophobicContact CG2-CB 4.3Å; I54-L56 HydrophobicContact CG2-CD2 3.76Å; I54-H147 WeakPolarHBondContact CD1-CD2 3.23Å; I54-H147 WeakPolarHBondContact CD1-NE2 3.37Å; I54-H147 VanDerWaalsContact CG1-CE1 3.45Å; I54-H147 WeakPolarHBondContact CG1-CE1 3.46Å; I54-H147 WeakPolarHBondContact CG1-NE2 3.43Å; I54-P153 PolarHBondContact N-O 2.85Å; I54-T154 CarbonylContact O-C 3.5Å; I54-T154 WeakPolarHBondContact O-CA 3.43Å; I54-Y155 PolarHBondContact O-N 3.26Å
55M98.8Very high97Very high43 Ų4362.1 Ų62.121%0.21230%0.3CS..EExtended strand (participates in β ladder)trans-121126.9161.9-179.9-178.6-40.300109.1Y155 Y157 W214 F217M55-Y155 VanDerWaalsContact CA-O 3.26Å; M55-Y155 WeakPolarHBondContact CA-O 3.36Å; M55-Y155 HydrophobicContact CE-CG 4.35Å; M55-Y157 HydrophobicContact CG-CD1 4.32Å; M55-W214 HydrophobicContact CB-CH2 4.07Å; M55-W214 HydrophobicContact CB-CZ3 3.6Å; M55-W214 HydrophobicContact CE-CE3 4.21Å; M55-W214 HydrophobicContact CE-CZ3 4.05Å; M55-W214 HydrophobicContact CG-CE3 4.37Å; M55-W214 HydrophobicContact CG-CH2 3.42Å; M55-W214 VanDerWaalsContact CG-CH2 3.42Å; M55-W214 HydrophobicContact CG-CZ3 3.34Å; M55-W214 HydrophobicContact SD-CD2 4.27Å; M55-W214 HydrophobicContact SD-CE3 3.53Å; M55-W214 VanDerWaalsContact SD-CE3 3.53Å; M55-W214 HydrophobicContact SD-CH2 3.29Å; M55-W214 WeakPolarHBondContact SD-CH2 3.3Å; M55-W214 HydrophobicContact SD-CZ2 4.05Å; M55-W214 HydrophobicContact SD-CZ3 3.03Å; M55-W214 WeakPolarHBondContact SD-CZ3 3.26Å; M55-F217 HydrophobicContact CB-CD1 4.34Å; M55-F217 HydrophobicContact CB-CD2 4.22Å; M55-F217 HydrophobicContact CB-CE1 4.09Å; M55-F217 HydrophobicContact CB-CE2 3.96Å; M55-F217 HydrophobicContact CB-CG 4.39Å; M55-F217 HydrophobicContact CB-CZ 3.88Å; M55-F217 HydrophobicContact CE-CB 3.67Å; M55-F217 HydrophobicContact CE-CD1 4.45Å; M55-F217 HydrophobicContact CE-CD2 3.71Å; M55-F217 HydrophobicContact CE-CE2 4.47Å; M55-F217 HydrophobicContact CE-CG 3.69Å
56L98.8Very high97Very high27 Ų2757.7 Ų57.714%0.14128%0.279CS..EExtended strand (participates in β ladder)trans-140.3164.8-176.571.2161.8000110.5I54 S140 T143 A144 T154 Y155 F156 Y157I54-L56 HydrophobicContact CG2-CB 4.3Å; I54-L56 HydrophobicContact CG2-CD2 3.76Å; L56-S140 WeakPolarHBondContact CD1-O 3.39Å; L56-T143 HydrophobicContact CD1-CG2 3.95Å; L56-A144 HydrophobicContact CD1-CB 4.14Å; L56-A144 HydrophobicContact CD2-CB 4.02Å; L56-A144 HydrophobicContact CG-CB 4.48Å; L56-T154 HydrophobicContact CD2-CG2 3.73Å; L56-Y155 PolarHBondContact N-O 3.33Å; L56-F156 HydrophobicContact CD1-CD2 4.35Å; L56-F156 HydrophobicContact CD1-CE2 4.24Å; L56-F156 HydrophobicContact CD2-CD2 4.18Å; L56-F156 HydrophobicContact CG-CD2 3.84Å; L56-F156 HydrophobicContact CG-CE2 4.1Å; L56-F156 CarbonylContact O-C 3.39Å; L56-F156 VanDerWaalsContact O-CA 3.28Å; L56-F156 WeakPolarHBondContact O-CA 3.39Å; L56-Y157 WeakPolarHBondContact O-CD1 3.47Å; L56-Y157 PolarHBondContact O-N 2.68Å
57G98.6Very high97Very high18 Ų1852.3 Ų52.319%0.18625%0.254CS..EExtended strand (participates in β ladder)trans179.7-176.3179.700000113.5Y157G57-Y157 WeakPolarHBondContact CA-O 3.29Å
58I98.9Very high96.9Very high11 Ų1154.9 Ų54.96%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-136.5160.7-175.357.187.5000110.7W136 V137 S140 F156 Y157 A158 F159I58-W136 HydrophobicContact CG2-CB 4.06Å; I58-V137 HydrophobicContact CD1-CG2 4.18Å; I58-V137 HydrophobicContact CG1-CG2 4.22Å; I58-S140 WeakPolarHBondContact CG2-OG 3.28Å; I58-F156 HydrophobicContact CG1-CE1 4.35Å; I58-F156 HydrophobicContact CG1-CZ 4.42Å; I58-Y157 PolarHBondContact N-O 2.93Å; I58-A158 HydrophobicContact CD1-CB 3.82Å; I58-A158 HydrophobicContact CG1-CB 4.32Å; I58-A158 CarbonylContact O-C 3.56Å; I58-A158 VanDerWaalsContact O-CA 3.3Å; I58-A158 WeakPolarHBondContact O-CA 3.39Å; I58-F159 PolarHBondContact O-N 3.49Å
59N98.8Very high96.7Very high1 Ų156.3 Ų56.31%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-95154.9167.3-58.2-18.9000110.4G61 E62 F159 A174 A175 E179N59-G61 VanDerWaalsContact C-N 3.29Å; N59-G61 PolarHBondContact O-N 3.03Å; N59-E62 HydrophobicContact CB-CG 4.16Å; N59-E62 WeakPolarHBondContact CB-OE1 3.4Å; N59-E62 PolarHBondContact N-OE1 3.11Å; N59-E62 WeakPolarHBondContact O-CG 3.35Å; N59-F159 WeakPolarHBondContact CA-O 3.31Å; N59-F159 VanDerWaalsContact OD1-CB 3.3Å; N59-F159 WeakPolarHBondContact OD1-CB 3.43Å; N59-A174 HydrophobicContact CB-CB 4.31Å; N59-A174 WeakPolarHBondContact CB-O 3.13Å; N59-A175 PolarHBondContact ND2-O 3.47Å; N59-E179 PolarHBondContact ND2-OE2 3.41Å
60Q98.6Very high96.8Very high63 Ų6355.3 Ų55.329%0.29427%0.272SS..THydrogen-bonded Turntrans-58.7-36.1-174.6179.8-175-3.100114.3F159 Y160 D173 A174Q60-F159 PolarHBondContact N-O 3.47Å; Q60-Y160 HydrophobicContact CB-CD1 3.81Å; Q60-Y160 HydrophobicContact CB-CE1 3.99Å; Q60-Y160 HydrophobicContact CB-CG 4.2Å; Q60-Y160 HydrophobicContact CG-CD1 3.61Å; Q60-Y160 HydrophobicContact CG-CE1 3.6Å; Q60-Y160 HydrophobicContact CG-CG 4.49Å; Q60-Y160 VanDerWaalsContact OE1-CD1 3.24Å; Q60-D173 HydrophobicContact CB-CB 4.2Å; Q60-D173 HydrophobicContact CG-CB 3.89Å; Q60-D173 PolarHBondContact NE2-OD1 2.93Å; Q60-D173 PolarHBondContact NE2-OD2 3.45Å; Q60-A174 HydrophobicContact CB-CB 4.45Å; Q60-A174 PolarHBondContact N-O 2.95Å
61G98.1Very high97Very high3 Ų351.4 Ų51.43%0.03125%0.254CS..THydrogen-bonded Turntrans-134.445.9-172.100000112.6N59 G63 L64 A174 A175N59-G61 VanDerWaalsContact C-N 3.29Å; N59-G61 PolarHBondContact O-N 3.03Å; G61-G63 PolarHBondContact O-N 3.45Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G61-L64 PolarHBondContact O-N 3.25Å; G61-L64 VanDerWaalsContact O-N 3.11Å; G61-A174 CarbonylContact C-O 3.07Å; G61-A174 WeakPolarHBondContact CA-O 3.42Å; G61-A174 PolarHBondContact N-O 3.18Å; G61-A175 WeakPolarHBondContact O-CA 3.28Å
62E98.8Very high97.1Very high13 Ų1349.3 Ų49.36%0.06124%0.242CC..G310 helixtrans-44-44.3178-63.9-78.8-174.900112.3N59 L64 T132 W136 H176N59-E62 HydrophobicContact CB-CG 4.16Å; N59-E62 WeakPolarHBondContact CB-OE1 3.4Å; N59-E62 PolarHBondContact N-OE1 3.11Å; N59-E62 WeakPolarHBondContact O-CG 3.35Å; E62-L64 PolarHBondContact O-N 3.44Å; E62-T132 HydrophobicContact CB-CG2 3.9Å; E62-T132 HydrophobicContact CG-CG2 4.04Å; E62-T132 PolarHBondContact N-OG1 3.06Å; E62-W136 HydrophobicContact CB-CB 4.32Å; E62-W136 HydrophobicContact CB-CD2 3.37Å; E62-W136 HydrophobicContact CB-CE3 3.4Å; E62-W136 HydrophobicContact CB-CG 3.79Å; E62-W136 HydrophobicContact CB-CH2 4.2Å; E62-W136 HydrophobicContact CB-CZ2 4.18Å; E62-W136 HydrophobicContact CB-CZ3 3.83Å; E62-W136 HydrophobicContact CG-CB 3.88Å; E62-W136 HydrophobicContact CG-CD2 3.8Å; E62-W136 HydrophobicContact CG-CE3 4.23Å; E62-W136 HydrophobicContact CG-CG 3.62Å; E62-H176 WeakPolarHBondContact OE2-CA 3.42Å; E62-H176 VanDerWaalsContact OE2-CB 3.26Å; E62-H176 WeakPolarHBondContact OE2-CB 3.29Å; E62-H176 IonicContact OE2-CE1 3.84Å; E62-H176 IonicContact OE2-CG 2.69Å; E62-H176 IonicContact OE2-ND1 2.76Å; E62-H176 PolarHBondContact OE2-ND1 3.28Å
63G97.6Very high97Very high1 Ų148.6 Ų48.61%0.0126%0.258CS..G310 helixtrans-75.219.3-176.500000116G61 R65 F66 T132G61-G63 PolarHBondContact O-N 3.45Å; G61-G63 VanDerWaalsContact O-N 3.11Å; G63-R65 PolarHBondContact O-N 3.44Å; G63-R65 VanDerWaalsContact O-N 3.12Å; G63-F66 WeakPolarHBondContact O-CB 3.44Å; G63-F66 PolarHBondContact O-N 2.88Å; G63-T132 PolarHBondContact N-OG1 3.11Å
64L97.4Very high96.8Very high15 Ų1552.9 Ų52.98%0.07928%0.276CS..G310 helixtrans-46.8-45.4-179.5176.161.2000112.9G61 E62 F66 V67 W171 A175G61-L64 PolarHBondContact O-N 3.25Å; G61-L64 VanDerWaalsContact O-N 3.11Å; E62-L64 PolarHBondContact O-N 3.44Å; L64-F66 PolarHBondContact O-N 3.42Å; L64-V67 WeakPolarHBondContact O-CG2 3.13Å; L64-V67 PolarHBondContact O-N 2.8Å; L64-W171 HydrophobicContact CD1-CE3 4.48Å; L64-W171 HydrophobicContact CD1-CH2 3.34Å; L64-W171 HydrophobicContact CD1-CZ2 4.33Å; L64-W171 HydrophobicContact CD1-CZ3 3.44Å; L64-W171 VanDerWaalsContact CD1-CZ3 3.44Å; L64-A175 HydrophobicContact CB-CB 3.7Å; L64-A175 HydrophobicContact CD2-CB 3.64Å; L64-A175 HydrophobicContact CG-CB 4.31Å
65R96.3Very high96.7Very high189 Ų18953.8 Ų53.871%0.71328%0.281SS*.G310 helixtrans-69.3-14.2-176.8-67.4-65.6-171.9175.3-1.8114.3G63 V67 D68G63-R65 PolarHBondContact O-N 3.44Å; G63-R65 VanDerWaalsContact O-N 3.12Å; R65-V67 PolarHBondContact O-N 2.92Å; R65-D68 WeakPolarHBondContact CD-OD2 2.98Å; R65-D68 IonicContact CZ-OD2 3.37Å; R65-D68 IonicContact NE-OD2 3.62Å; R65-D68 IonicContact NH1-OD2 2.72Å; R65-D68 PolarHBondContact NH1-OD2 3.16Å; R65-D68 PolarHBondContact O-N 2.99Å
66F97.4Very high96.6Very high21 Ų2151.8 Ų51.89%0.09227%0.271CS..G310 helixtrans-64.6-28.3179.4-178.4-125000112.3Y23 G63 L64 F89 L127 F131Y23-F66 WeakPolarHBondContact OH-CE2 3.22Å; G63-F66 WeakPolarHBondContact O-CB 3.44Å; G63-F66 PolarHBondContact O-N 2.88Å; L64-F66 PolarHBondContact O-N 3.42Å; F66-F89 HydrophobicContact CE2-CB 4.49Å; F66-F89 HydrophobicContact CE2-CD2 4.31Å; F66-F89 HydrophobicContact CZ-CB 4.1Å; F66-F89 HydrophobicContact CZ-CD2 4.2Å; F66-F89 HydrophobicContact CZ-CG 4.45Å; F66-L127 HydrophobicContact CD1-CD1 4.37Å; F66-L127 HydrophobicContact CD1-CG 3.89Å; F66-L127 VanDerWaalsContact CD1-O 3.3Å; F66-L127 WeakPolarHBondContact CD1-O 3.28Å; F66-L127 HydrophobicContact CE1-CD1 3.52Å; F66-L127 HydrophobicContact CE1-CD2 4.32Å; F66-L127 HydrophobicContact CE1-CG 3.54Å; F66-L127 HydrophobicContact CZ-CD1 4.27Å; F66-F131 HydrophobicContact CB-CB 3.79Å; F66-F131 HydrophobicContact CB-CD1 3.69Å; F66-F131 HydrophobicContact CB-CD2 4.29Å; F66-F131 HydrophobicContact CB-CE1 4.36Å; F66-F131 HydrophobicContact CB-CG 3.66Å; F66-F131 HydrophobicContact CD1-CB 3.44Å; F66-F131 VanDerWaalsContact CD1-CB 3.44Å; F66-F131 HydrophobicContact CD1-CD2 4.2Å; F66-F131 AromaticContact CD1-CG 3.92Å; F66-F131 HydrophobicContact CD1-CG 3.92Å; F66-F131 HydrophobicContact CD2-CB 4.19Å; F66-F131 HydrophobicContact CD2-CD1 4.31Å; F66-F131 AromaticContact CD2-CD2 3.44Å; F66-F131 HydrophobicContact CD2-CD2 3.44Å; F66-F131 VanDerWaalsContact CD2-CD2 3.44Å; F66-F131 AromaticContact CD2-CE2 3.84Å; F66-F131 HydrophobicContact CD2-CE2 3.84Å; F66-F131 AromaticContact CD2-CG 3.72Å; F66-F131 HydrophobicContact CD2-CG 3.72Å; F66-F131 HydrophobicContact CD2-CZ 4.43Å; F66-F131 HydrophobicContact CE1-CB 3.95Å; F66-F131 HydrophobicContact CE1-CD2 4.36Å; F66-F131 HydrophobicContact CE1-CG 4.45Å; F66-F131 AromaticContact CE2-CD2 3.7Å; F66-F131 HydrophobicContact CE2-CD2 3.7Å; F66-F131 HydrophobicContact CE2-CE2 4.15Å; F66-F131 HydrophobicContact CE2-CG 4.34Å; F66-F131 HydrophobicContact CG-CB 3.55Å; F66-F131 HydrophobicContact CG-CD1 4.05Å; F66-F131 AromaticContact CG-CD2 3.73Å; F66-F131 HydrophobicContact CG-CD2 3.73Å; F66-F131 HydrophobicContact CG-CE2 4.46Å; F66-F131 AromaticContact CG-CG 3.5Å; F66-F131 HydrophobicContact CG-CG 3.5Å; F66-F131 VanDerWaalsContact CG-CG 3.5Å; F66-F131 HydrophobicContact CZ-CD2 4.16Å
67V97.1Very high96.6Very high0 Ų050.5 Ų50.50%027%0.265CS..G310 helixtrans-101.80.7-175.5-55.90000114.3L64 R65 N69 V70 V71 I77 R124 L127 V128 W171L64-V67 WeakPolarHBondContact O-CG2 3.13Å; L64-V67 PolarHBondContact O-N 2.8Å; R65-V67 PolarHBondContact O-N 2.92Å; V67-N69 PolarHBondContact O-N 2.87Å; V67-V70 HydrophobicContact CB-CG2 4.07Å; V67-V70 VanDerWaalsContact O-CG2 3.29Å; V67-V70 WeakPolarHBondContact O-CG2 3.48Å; V67-V70 PolarHBondContact O-N 2.93Å; V67-V71 HydrophobicContact CB-CG2 3.89Å; V67-V71 HydrophobicContact CG2-CG2 3.71Å; V67-V71 WeakPolarHBondContact O-CG2 3.46Å; V67-V71 PolarHBondContact O-N 3.44Å; V67-I77 HydrophobicContact CB-CD1 3.99Å; V67-I77 HydrophobicContact CG1-CD1 3.91Å; V67-R124 HydrophobicContact CG2-CG 4.3Å; V67-L127 HydrophobicContact CG1-CB 4.05Å; V67-L127 HydrophobicContact CG1-CD2 3.81Å; V67-L127 HydrophobicContact CG1-CG 3.94Å; V67-V128 HydrophobicContact CB-CG2 4.41Å; V67-V128 HydrophobicContact CG1-CG2 3.72Å; V67-V128 HydrophobicContact CG2-CG2 3.73Å; V67-W171 HydrophobicContact CG2-CH2 3.84Å
68D92.9Very high96.6Very high72 Ų7251.6 Ų51.639%0.38527%0.269SS..THydrogen-bonded Turntrans-51.2-32.4-171.8-8610.5000114.5R65R65-D68 WeakPolarHBondContact CD-OD2 2.98Å; R65-D68 IonicContact CZ-OD2 3.37Å; R65-D68 IonicContact NE-OD2 3.62Å; R65-D68 IonicContact NH1-OD2 2.72Å; R65-D68 PolarHBondContact NH1-OD2 3.16Å; R65-D68 PolarHBondContact O-N 2.99Å
69N92.1Very high96.5Very high162 Ų16252.3 Ų52.387%0.86628%0.28SS*.THydrogen-bonded Turntrans-99.2-1.8-174.4-64.4-44.5000114.6V67V67-N69 PolarHBondContact O-N 2.87Å
70V95.8Very high96.5Very high26 Ų2658.5 Ų58.516%0.15831%0.313CS..THydrogen-bonded Turntrans-125.2-4.8-172.3-68.10000113.6V67 I77 D81 L127V67-V70 HydrophobicContact CB-CG2 4.07Å; V67-V70 VanDerWaalsContact O-CG2 3.29Å; V67-V70 WeakPolarHBondContact O-CG2 3.48Å; V67-V70 PolarHBondContact O-N 2.93Å; V70-I77 HydrophobicContact CG2-CD1 3.78Å; V70-I77 HydrophobicContact CG2-CG1 4.41Å; V70-D81 HydrophobicContact CB-CB 4.03Å; V70-D81 HydrophobicContact CG1-CB 4.12Å; V70-L127 HydrophobicContact CG2-CD2 4.3Å
71V96Very high96.4Very high38 Ų3858.5 Ų58.523%0.2331%0.314CS..  trans-79.4129.2173.7176.70000109.9V67 G76 I77 R124 W171V67-V71 HydrophobicContact CB-CG2 3.89Å; V67-V71 HydrophobicContact CG2-CG2 3.71Å; V67-V71 WeakPolarHBondContact O-CG2 3.46Å; V67-V71 PolarHBondContact O-N 3.44Å; V71-G76 WeakPolarHBondContact CA-O 3.35Å; V71-I77 HydrophobicContact CG2-CD1 4.23Å; V71-I77 HydrophobicContact CG2-CG1 4.06Å; V71-R124 HydrophobicContact CG2-CG 3.86Å; V71-W171 HydrophobicContact CG1-CZ2 4.42Å; V71-W171 HydrophobicContact CG2-CZ2 4.28Å
72D94.6Very high96.4Very high72 Ų7258.6 Ų58.639%0.38531%0.314SS..  trans-83.8-179.3177.566.435.1000112.9E74 D75 G76D72-E74 PolarHBondContact O-N 3.11Å; D72-E74 VanDerWaalsContact OD1-C 3.3Å; D72-E74 WeakPolarHBondContact OD1-CA 3.31Å; D72-E74 PolarHBondContact OD1-N 3.08Å; D72-D75 PolarHBondContact O-N 2.94Å; D72-D75 PolarHBondContact OD1-N 3.16Å; D72-G76 PolarHBondContact N-O 3.44Å; D72-G76 PolarHBondContact OD1-N 2.83Å
73S94.2Very high96.4Very high124 Ų12461.3 Ų61.387%0.86733%0.329SS*.THydrogen-bonded Turntrans-70.3-11.4-179.456.90000114.8
74E94.7Very high96.4Very high161 Ų16167.5 Ų67.575%0.75236%0.356SS*.THydrogen-bonded Turntrans-102.818.9175.9-60.1-170.9165.600111.1D72 G76D72-E74 PolarHBondContact O-N 3.11Å; D72-E74 VanDerWaalsContact OD1-C 3.3Å; D72-E74 WeakPolarHBondContact OD1-CA 3.31Å; D72-E74 PolarHBondContact OD1-N 3.08Å; E74-G76 PolarHBondContact O-N 3.2Å
75D95.6Very high96.4Very high70 Ų7067.2 Ų67.237%0.37436%0.355SS..SBendtrans61.620.4179.1-62.9-44.3000114.1D72 R124 W171D72-D75 PolarHBondContact O-N 2.94Å; D72-D75 PolarHBondContact OD1-N 3.16Å; D75-R124 WeakPolarHBondContact O-CD 3.38Å; D75-R124 PolarHBondContact O-NH1 2.75Å; D75-W171 HydrophobicContact CB-CG 4.43Å; D75-W171 PolarHBondContact OD1-NE1 3.05Å
76G97.1Very high96.5Very high1 Ų158.2 Ų58.21%0.0132%0.321CS..  trans-103.5170.1-179.900000114.1V71 D72 E74V71-G76 WeakPolarHBondContact CA-O 3.35Å; D72-G76 PolarHBondContact N-O 3.44Å; D72-G76 PolarHBondContact OD1-N 2.83Å; E74-G76 PolarHBondContact O-N 3.2Å
77I98.1Very high96.4Very high0 Ų058.6 Ų58.60%033%0.327CS..  trans-123.9136.7168.6-67.6-172.7000109.4V67 V70 V71 D81 F82 P120 R123 R124 L127V67-I77 HydrophobicContact CB-CD1 3.99Å; V67-I77 HydrophobicContact CG1-CD1 3.91Å; V70-I77 HydrophobicContact CG2-CD1 3.78Å; V70-I77 HydrophobicContact CG2-CG1 4.41Å; V71-I77 HydrophobicContact CG2-CD1 4.23Å; V71-I77 HydrophobicContact CG2-CG1 4.06Å; I77-D81 HydrophobicContact CG2-CB 3.92Å; I77-F82 HydrophobicContact CG2-CB 4.17Å; I77-P120 PolarHBondContact N-O 2.99Å; I77-R123 HydrophobicContact CB-CB 4.38Å; I77-R123 PolarHBondContact O-NE 3.15Å; I77-R123 PolarHBondContact O-NH2 2.85Å; I77-R124 HydrophobicContact CB-CB 4.47Å; I77-R124 HydrophobicContact CD1-CB 3.96Å; I77-R124 HydrophobicContact CD1-CG 3.89Å; I77-R124 HydrophobicContact CG1-CB 3.85Å; I77-R124 HydrophobicContact CG1-CG 4.02Å; I77-L127 HydrophobicContact CD1-CB 4.35Å; I77-L127 HydrophobicContact CD1-CD2 3.6Å
78S98.1Very high96.3Very high40 Ų4060.3 Ų60.328%0.2834%0.336SS..  trans-73.3156.6175.787.70000112N80 D81 F82S78-N80 PolarHBondContact O-N 3.24Å; S78-N80 PolarHBondContact OG-N 3.03Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact O-N 2.81Å; S78-D81 PolarHBondContact OG-N 3.04Å; S78-D81 VanDerWaalsContact OG-N 3.11Å; S78-D81 PolarHBondContact OG-OD2 2.68Å; S78-F82 PolarHBondContact O-N 3.13Å
79G97.4Very high96.5Very high27 Ų2757 Ų5728%0.27832%0.318SS..Hα-helixtrans-59.7-36.4176.300000112.9F82 D83G79-F82 PolarHBondContact O-N 3.41Å; G79-D83 PolarHBondContact O-N 2.68Å
80N97.6Very high96.7Very high131 Ų13149.2 Ų49.270%0.70128%0.276SS*.Hα-helixtrans-67.5-42.2178-68.2-19.8000111.9S78 F82 D83 F84S78-N80 PolarHBondContact O-N 3.24Å; S78-N80 PolarHBondContact OG-N 3.03Å; N80-F82 VanDerWaalsContact C-N 3.34Å; N80-D83 PolarHBondContact O-N 3.34Å; N80-F84 VanDerWaalsContact O-CB 3.28Å; N80-F84 WeakPolarHBondContact O-CB 3.34Å; N80-F84 PolarHBondContact O-N 3.21Å
81D98.3Very high96.6Very high62 Ų6250.3 Ų50.333%0.33228%0.281SS..Hα-helixtrans-69.4-35.3179.3-63.9-46.6000111.4V70 I77 S78 S85V70-D81 HydrophobicContact CB-CB 4.03Å; V70-D81 HydrophobicContact CG1-CB 4.12Å; I77-D81 HydrophobicContact CG2-CB 3.92Å; S78-D81 WeakPolarHBondContact CB-OD2 3.4Å; S78-D81 PolarHBondContact O-N 2.81Å; S78-D81 PolarHBondContact OG-N 3.04Å; S78-D81 VanDerWaalsContact OG-N 3.11Å; S78-D81 PolarHBondContact OG-OD2 2.68Å; D81-S85 VanDerWaalsContact O-CB 3.24Å; D81-S85 WeakPolarHBondContact O-CB 3.14Å; D81-S85 PolarHBondContact O-N 3.34Å; D81-S85 PolarHBondContact O-OG 2.61Å
82F98.4Very high96.6Very high6 Ų650 Ų503%0.02628%0.281CS..Hα-helixtrans-60.5-53.5170.9179.5-90.5000111.1I77 S78 G79 N80 F84 S85 V86 R123 L127I77-F82 HydrophobicContact CG2-CB 4.17Å; S78-F82 PolarHBondContact O-N 3.13Å; G79-F82 PolarHBondContact O-N 3.41Å; N80-F82 VanDerWaalsContact C-N 3.34Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.24Å; F82-S85 PolarHBondContact O-N 3.46Å; F82-V86 HydrophobicContact CD1-CG2 4.33Å; F82-V86 HydrophobicContact CE1-CG2 3.98Å; F82-V86 HydrophobicContact CE2-CG2 4.4Å; F82-V86 HydrophobicContact CZ-CG2 4.02Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.5Å; F82-R123 HydrophobicContact CD2-CB 4.23Å; F82-L127 HydrophobicContact CD2-CB 4.26Å; F82-L127 HydrophobicContact CD2-CD1 4.16Å; F82-L127 HydrophobicContact CE2-CB 4.4Å; F82-L127 HydrophobicContact CE2-CD1 4.27Å
83D97.4Very high96.6Very high69 Ų6948.7 Ų48.737%0.36927%0.274SS..Hα-helixtrans-61.1-39.9-179.4-78.3-18.9000112.5G79 N80 S87G79-D83 PolarHBondContact O-N 2.68Å; N80-D83 PolarHBondContact O-N 3.34Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.14Å; D83-S87 VanDerWaalsContact O-N 3.08Å; D83-S87 PolarHBondContact O-OG 2.85Å
84F97.6Very high96.5Very high132 Ų13247.4 Ų47.458%0.57925%0.25SS*.Hα-helixtrans-63.2-49.5175.1177.1-97.7000111.1N80 F82 V86 S87 D88N80-F84 VanDerWaalsContact O-CB 3.28Å; N80-F84 WeakPolarHBondContact O-CB 3.34Å; N80-F84 PolarHBondContact O-N 3.21Å; F82-F84 VanDerWaalsContact C-N 3.31Å; F82-F84 PolarHBondContact O-N 3.24Å; F84-V86 PolarHBondContact O-N 3.35Å; F84-S87 PolarHBondContact O-N 2.83Å; F84-D88 HydrophobicContact CE1-CB 4.45Å; F84-D88 WeakPolarHBondContact O-CB 3.37Å; F84-D88 PolarHBondContact O-N 3.49Å
85S97.9Very high96.2Very high9 Ų941 Ų416%0.06323%0.228CC..Hα-helixtrans-62.8-41.8-177.6-59.30000112.2D81 F82 F89D81-S85 VanDerWaalsContact O-CB 3.24Å; D81-S85 WeakPolarHBondContact O-CB 3.14Å; D81-S85 PolarHBondContact O-N 3.34Å; D81-S85 PolarHBondContact O-OG 2.61Å; F82-S85 PolarHBondContact O-N 3.46Å; S85-F89 WeakPolarHBondContact O-CB 3.37Å; S85-F89 PolarHBondContact O-N 2.94Å
86V97.7Very high95.4Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-64.7-42.7175.1176.60000111F82 F84 F89 V90 I107 K108 L127 L130F82-V86 HydrophobicContact CD1-CG2 4.33Å; F82-V86 HydrophobicContact CE1-CG2 3.98Å; F82-V86 HydrophobicContact CE2-CG2 4.4Å; F82-V86 HydrophobicContact CZ-CG2 4.02Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 3.5Å; F84-V86 PolarHBondContact O-N 3.35Å; V86-F89 PolarHBondContact O-N 2.61Å; V86-V90 WeakPolarHBondContact O-CG2 3.23Å; V86-V90 PolarHBondContact O-N 2.69Å; V86-I107 HydrophobicContact CG1-CB 4.13Å; V86-I107 HydrophobicContact CG1-CG2 3.62Å; V86-K108 HydrophobicContact CB-CG 4.05Å; V86-K108 HydrophobicContact CG1-CG 3.67Å; V86-K108 HydrophobicContact CG2-CG 4.38Å; V86-L127 HydrophobicContact CG2-CD1 4.08Å; V86-L130 HydrophobicContact CG2-CD2 3.91Å
87S95.8Very high94.5Very high29 Ų2949.7 Ų49.720%0.20326%0.264CS..Hα-helixtrans-65.2-47-179.8-57.90000111.5D83 F84 F89 V90 D91D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.14Å; D83-S87 VanDerWaalsContact O-N 3.08Å; D83-S87 PolarHBondContact O-OG 2.85Å; F84-S87 PolarHBondContact O-N 2.83Å; S87-F89 VanDerWaalsContact C-N 3.34Å; S87-F89 PolarHBondContact O-N 2.67Å; S87-V90 PolarHBondContact O-N 3.25Å; S87-D91 WeakPolarHBondContact O-CB 3.22Å; S87-D91 PolarHBondContact O-N 3.18Å
88D95.8Very high93.8Very high36 Ų3659.5 Ų59.519%0.19331%0.31CS..Hα-helixtrans-64.9-36.2178.1170.481.1000112.7R22 F84 D91 S92R22-D88 IonicContact CZ-OD2 2.64Å; R22-D88 IonicContact NE-OD2 3.8Å; R22-D88 VanDerWaalsContact NH1-CG 3.31Å; R22-D88 IonicContact NH1-OD1 3.37Å; R22-D88 PolarHBondContact NH1-OD1 2.95Å; R22-D88 IonicContact NH1-OD2 2.73Å; R22-D88 PolarHBondContact NH1-OD2 3.4Å; R22-D88 IonicContact NH2-OD2 3.92Å; R22-D88 PolarHBondContact NH2-OD2 2.88Å; F84-D88 HydrophobicContact CE1-CB 4.45Å; F84-D88 WeakPolarHBondContact O-CB 3.37Å; F84-D88 PolarHBondContact O-N 3.49Å; D88-D91 PolarHBondContact O-N 2.98Å; D88-S92 WeakPolarHBondContact O-CB 3.03Å; D88-S92 PolarHBondContact O-N 2.03Å; D88-S92 PolarHBondContact O-OG 3.06Å
89F96.8Very high93.2Very high1 Ų159.8 Ų59.80%0.00432%0.319CS..Hα-helixtrans-59.1-51.1170.9172.4-95.3000111.8Y23 F66 S85 V86 S87 D91 S92 L93 Y94 L130 F131 H134Y23-F89 HydrophobicContact CE2-CD2 4.35Å; F66-F89 HydrophobicContact CE2-CB 4.49Å; F66-F89 HydrophobicContact CE2-CD2 4.31Å; F66-F89 HydrophobicContact CZ-CB 4.1Å; F66-F89 HydrophobicContact CZ-CD2 4.2Å; F66-F89 HydrophobicContact CZ-CG 4.45Å; S85-F89 WeakPolarHBondContact O-CB 3.37Å; S85-F89 PolarHBondContact O-N 2.94Å; V86-F89 PolarHBondContact O-N 2.61Å; S87-F89 VanDerWaalsContact C-N 3.34Å; S87-F89 PolarHBondContact O-N 2.67Å; F89-D91 VanDerWaalsContact C-N 3.28Å; F89-D91 PolarHBondContact O-N 3Å; F89-S92 PolarHBondContact O-N 3.46Å; F89-L93 HydrophobicContact CD1-CD1 4.41Å; F89-L93 HydrophobicContact CD2-CD1 3.69Å; F89-L93 HydrophobicContact CE1-CD1 3.95Å; F89-L93 HydrophobicContact CE2-CD1 3.16Å; F89-L93 HydrophobicContact CE2-CG 4.48Å; F89-L93 HydrophobicContact CG-CD1 4.29Å; F89-L93 HydrophobicContact CZ-CD1 3.3Å; F89-L93 PolarHBondContact O-N 2.88Å; F89-L93 VanDerWaalsContact O-N 3.15Å; F89-Y94 HydrophobicContact CE1-CE2 4.42Å; F89-L130 HydrophobicContact CD1-CD2 4.31Å; F89-L130 HydrophobicContact CE1-CD1 4.18Å; F89-L130 HydrophobicContact CE1-CG 4.44Å; F89-F131 AromaticContact CD2-CD2 3.76Å; F89-F131 HydrophobicContact CD2-CD2 3.76Å; F89-F131 HydrophobicContact CD2-CE2 4.08Å; F89-F131 AromaticContact CE2-CD2 3.61Å; F89-F131 HydrophobicContact CE2-CD2 3.61Å; F89-F131 AromaticContact CE2-CE2 3.98Å; F89-F131 HydrophobicContact CE2-CE2 3.98Å; F89-H134 HydrophobicContact CE2-CB 4.41Å; F89-H134 HydrophobicContact CZ-CB 3.69Å; F89-H134 AromaticContact CZ-CD2 3.94Å; F89-H134 AromaticContact CZ-CG 3.55Å; F89-H134 AromaticContact CZ-ND1 3.86Å
90V96Very high92.7Very high0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-62.8-38.5178.9173.80000111.4V86 S87 S92 Y94 K100 L103 R104 I107V86-V90 WeakPolarHBondContact O-CG2 3.23Å; V86-V90 PolarHBondContact O-N 2.69Å; S87-V90 PolarHBondContact O-N 3.25Å; V90-S92 VanDerWaalsContact C-N 3.34Å; V90-S92 PolarHBondContact O-N 3.34Å; V90-Y94 HydrophobicContact CB-CD2 4.46Å; V90-Y94 HydrophobicContact CG1-CD2 4.11Å; V90-Y94 WeakPolarHBondContact O-CB 3.29Å; V90-Y94 PolarHBondContact O-N 2.76Å; V90-K100 HydrophobicContact CG1-CG 4.1Å; V90-L103 HydrophobicContact CG1-CD2 4.05Å; V90-L103 HydrophobicContact CG1-CG 4.43Å; V90-R104 HydrophobicContact CB-CG 3.76Å; V90-R104 HydrophobicContact CG1-CG 3.64Å; V90-R104 HydrophobicContact CG2-CG 3.97Å; V90-I107 HydrophobicContact CG2-CD1 3.61Å
91D94.2Very high92.4Very high49 Ų4958 Ų5826%0.26230%0.302SS..Hα-helixtrans-64.4-41.2179.8-70.414.8000111.9S87 D88 F89 G95 K100 R104S87-D91 WeakPolarHBondContact O-CB 3.22Å; S87-D91 PolarHBondContact O-N 3.18Å; D88-D91 PolarHBondContact O-N 2.98Å; F89-D91 VanDerWaalsContact C-N 3.28Å; F89-D91 PolarHBondContact O-N 3Å; D91-G95 WeakPolarHBondContact O-CA 3.23Å; D91-G95 PolarHBondContact O-N 2.87Å; D91-K100 WeakPolarHBondContact OD1-CE 3.32Å; D91-K100 IonicContact OD1-NZ 2.84Å; D91-K100 PolarHBondContact OD1-NZ 3.06Å; D91-K100 IonicContact OD2-NZ 2.81Å; D91-K100 PolarHBondContact OD2-NZ 3.12Å; D91-R104 IonicContact OD1-CZ 2.75Å; D91-R104 IonicContact OD1-NE 3.64Å; D91-R104 PolarHBondContact OD1-NE 3.21Å; D91-R104 IonicContact OD1-NH2 3.01Å; D91-R104 PolarHBondContact OD1-NH2 2.98Å; D91-R104 IonicContact OD2-NH2 3.65Å; D91-R104 PolarHBondContact OD2-NH2 2.79Å
92S94.9Very high92.3Very high31 Ų3159.7 Ų59.722%0.21732%0.315CS..Hα-helixtrans-73.9-32.3-176.7-60.30000113.2Y23 D88 F89 V90Y23-S92 VanDerWaalsContact CE2-CB 3.46Å; D88-S92 WeakPolarHBondContact O-CB 3.03Å; D88-S92 PolarHBondContact O-N 2.03Å; D88-S92 PolarHBondContact O-OG 3.06Å; F89-S92 PolarHBondContact O-N 3.46Å; V90-S92 VanDerWaalsContact C-N 3.34Å; V90-S92 PolarHBondContact O-N 3.34Å
93L94.6Very high92.1Very high45 Ų4562 Ų6224%0.23633%0.328CS..Hα-helixtrans-100.9-39.9-174.4-69.4172.1000113.9Y23 F89Y23-L93 HydrophobicContact CD2-CD1 4.28Å; Y23-L93 HydrophobicContact CD2-CD2 3.77Å; Y23-L93 HydrophobicContact CD2-CG 3.75Å; Y23-L93 HydrophobicContact CE2-CG 4.4Å; Y23-L93 HydrophobicContact CG-CD2 4.1Å; F89-L93 HydrophobicContact CD1-CD1 4.41Å; F89-L93 HydrophobicContact CD2-CD1 3.69Å; F89-L93 HydrophobicContact CE1-CD1 3.95Å; F89-L93 HydrophobicContact CE2-CD1 3.16Å; F89-L93 HydrophobicContact CE2-CG 4.48Å; F89-L93 HydrophobicContact CG-CD1 4.29Å; F89-L93 HydrophobicContact CZ-CD1 3.3Å; F89-L93 PolarHBondContact O-N 2.88Å; F89-L93 VanDerWaalsContact O-N 3.15Å
94Y92.8Very high92Very high96 Ų9660.6 Ų60.638%0.37632%0.317SS..Hα-helixtrans-101.1-12.1-175.5-60-83.9000112.8F89 V90 Y96 P97 L103 H134F89-Y94 HydrophobicContact CE1-CE2 4.42Å; V90-Y94 HydrophobicContact CB-CD2 4.46Å; V90-Y94 HydrophobicContact CG1-CD2 4.11Å; V90-Y94 WeakPolarHBondContact O-CB 3.29Å; V90-Y94 PolarHBondContact O-N 2.76Å; Y94-Y96 PolarHBondContact O-N 3.46Å; Y94-P97 VanDerWaalsContact O-CD 3.28Å; Y94-P97 WeakPolarHBondContact O-CD 3.36Å; Y94-L103 HydrophobicContact CD1-CD2 4.05Å; Y94-L103 HydrophobicContact CD2-CD2 3.88Å; Y94-L103 HydrophobicContact CE1-CD2 4.39Å; Y94-L103 HydrophobicContact CE2-CD2 4.22Å; Y94-L103 HydrophobicContact CG-CD2 3.76Å; Y94-H134 AromaticContact CZ-NE2 3.62Å; Y94-H134 PolarHBondContact OH-CD2 2.73Å; Y94-H134 VanDerWaalsContact OH-CD2 3.26Å; Y94-H134 PolarHBondContact OH-NE2 2.93Å
95G87.7Confident91.9Very high28 Ų2859.6 Ų59.629%0.28931%0.314SS..  trans68.5-126.5-179.800000112.1D91 P97 K100D91-G95 WeakPolarHBondContact O-CA 3.23Å; D91-G95 PolarHBondContact O-N 2.87Å; G95-P97 VanDerWaalsContact C-CD 3.47Å; G95-K100 WeakPolarHBondContact O-CD 3.07Å; G95-K100 WeakPolarHBondContact O-CE 3.4Å; G95-K100 PolarHBondContact O-NZ 3.29Å
96Y79.4Confident91.9Very high197 Ų19762.4 Ų62.477%0.77333%0.331SS*.SBendtrans-124.967.8177.3-68.3-90.8000112.1Y94 K100Y94-Y96 PolarHBondContact O-N 3.46Å; Y96-K100 HydrophobicContact CD1-CD 3.97Å; Y96-K100 HydrophobicContact CE1-CD 4.46Å
97P78.2Confident91.9Very high56 Ų5663.4 Ų63.436%0.36434%0.336SS..  trans-74.9157.9177.233.3-32000110.3Y94 G95 G99 K100Y94-P97 VanDerWaalsContact O-CD 3.28Å; Y94-P97 WeakPolarHBondContact O-CD 3.36Å; G95-P97 VanDerWaalsContact C-CD 3.47Å; P97-G99 PolarHBondContact O-N 2.87Å; P97-K100 HydrophobicContact CG-CB 4.27Å; P97-K100 PolarHBondContact O-N 3.18Å
98E82.9Confident92Very high206 Ų20663.4 Ų63.496%0.96333%0.333SS*.THydrogen-bonded Turntrans-56.5129.1165.1-71.9-171.2171.800109.3
99G86.1Confident92.1Very high46 Ų4667.1 Ų67.147%0.47435%0.347SS..THydrogen-bonded Turntrans85.412.7-178.700000115.8P97 D101 T102 L103P97-G99 PolarHBondContact O-N 2.87Å; G99-D101 VanDerWaalsContact C-N 3.27Å; G99-D101 PolarHBondContact O-N 3.27Å; G99-T102 WeakPolarHBondContact O-CA 3.18Å; G99-T102 VanDerWaalsContact O-CB 3.29Å; G99-T102 WeakPolarHBondContact O-CB 3.2Å; G99-T102 PolarHBondContact O-N 2.64Å; G99-L103 PolarHBondContact O-N 2.73Å
100K87.6Confident92.2Very high12 Ų1273.1 Ų73.15%0.05238%0.377CS..Hα-helixtrans-48.5-43.8177.1-169.6-177-169.6176.40114.5V90 D91 G95 Y96 P97 T102 L103 R104V90-K100 HydrophobicContact CG1-CG 4.1Å; D91-K100 WeakPolarHBondContact OD1-CE 3.32Å; D91-K100 IonicContact OD1-NZ 2.84Å; D91-K100 PolarHBondContact OD1-NZ 3.06Å; D91-K100 IonicContact OD2-NZ 2.81Å; D91-K100 PolarHBondContact OD2-NZ 3.12Å; G95-K100 WeakPolarHBondContact O-CD 3.07Å; G95-K100 WeakPolarHBondContact O-CE 3.4Å; G95-K100 PolarHBondContact O-NZ 3.29Å; Y96-K100 HydrophobicContact CD1-CD 3.97Å; Y96-K100 HydrophobicContact CE1-CD 4.46Å; P97-K100 HydrophobicContact CG-CB 4.27Å; P97-K100 PolarHBondContact O-N 3.18Å; K100-T102 VanDerWaalsContact C-N 3.32Å; K100-T102 PolarHBondContact O-N 3.2Å; K100-L103 WeakPolarHBondContact O-CB 3.38Å; K100-L103 PolarHBondContact O-N 3.42Å; K100-L103 VanDerWaalsContact O-N 3.15Å; K100-R104 VanDerWaalsContact NZ-NH2 3.13Å; K100-R104 WeakPolarHBondContact O-CG 2.91Å; K100-R104 PolarHBondContact O-N 2.87Å
101D91.1Very high92.3Very high108 Ų10875.6 Ų75.658%0.57839%0.387SS*.Hα-helixtrans-66.6-38.4-179.1-66.2-27.1000111.2G99 L103 R104 E105G99-D101 VanDerWaalsContact C-N 3.27Å; G99-D101 PolarHBondContact O-N 3.27Å; D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.4Å; D101-R104 PolarHBondContact O-N 3.29Å; D101-R104 IonicContact OD1-NH1 2.58Å; D101-R104 PolarHBondContact OD1-NH1 3.48Å; D101-E105 WeakPolarHBondContact O-CB 3.26Å; D101-E105 WeakPolarHBondContact O-CG 3.25Å; D101-E105 PolarHBondContact O-N 3.18Å
102T94.4Very high92.5Very high98 Ų9874.6 Ų74.660%0.60138%0.382SS*.Hα-helixtrans-60.4-43170.9-51.60000110.9G99 K100 T106G99-T102 WeakPolarHBondContact O-CA 3.18Å; G99-T102 VanDerWaalsContact O-CB 3.29Å; G99-T102 WeakPolarHBondContact O-CB 3.2Å; G99-T102 PolarHBondContact O-N 2.64Å; K100-T102 VanDerWaalsContact C-N 3.32Å; K100-T102 PolarHBondContact O-N 3.2Å; T102-T106 VanDerWaalsContact O-CB 3.22Å; T102-T106 WeakPolarHBondContact O-CB 3.45Å; T102-T106 PolarHBondContact O-N 2.82Å; T102-T106 PolarHBondContact O-OG1 3.38Å
103L94.6Very high92.6Very high55 Ų5576.2 Ų76.229%0.28839%0.389SS..Hα-helixtrans-62.8-49.8177.9-178.362.9000111.3V90 Y94 G99 K100 D101 E105 T106 I107V90-L103 HydrophobicContact CG1-CD2 4.05Å; V90-L103 HydrophobicContact CG1-CG 4.43Å; Y94-L103 HydrophobicContact CD1-CD2 4.05Å; Y94-L103 HydrophobicContact CD2-CD2 3.88Å; Y94-L103 HydrophobicContact CE1-CD2 4.39Å; Y94-L103 HydrophobicContact CE2-CD2 4.22Å; Y94-L103 HydrophobicContact CG-CD2 3.76Å; G99-L103 PolarHBondContact O-N 2.73Å; K100-L103 WeakPolarHBondContact O-CB 3.38Å; K100-L103 PolarHBondContact O-N 3.42Å; K100-L103 VanDerWaalsContact O-N 3.15Å; D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.4Å; L103-E105 PolarHBondContact O-N 2.96Å; L103-T106 PolarHBondContact O-N 3.44Å; L103-I107 HydrophobicContact CD1-CD1 3.93Å; L103-I107 HydrophobicContact CD1-CG1 4.29Å; L103-I107 HydrophobicContact CG-CD1 3.95Å; L103-I107 WeakPolarHBondContact O-CG1 3.23Å; L103-I107 PolarHBondContact O-N 2.93Å
104R95Very high92.8Very high39 Ų3980.4 Ų80.415%0.14740%0.401CS..Hα-helixtrans-56.9-51.1178-72.9-174.8-169.6139.4-22.3111.7V90 D91 K100 D101 T106 I107 K108V90-R104 HydrophobicContact CB-CG 3.76Å; V90-R104 HydrophobicContact CG1-CG 3.64Å; V90-R104 HydrophobicContact CG2-CG 3.97Å; D91-R104 IonicContact OD1-CZ 2.75Å; D91-R104 IonicContact OD1-NE 3.64Å; D91-R104 PolarHBondContact OD1-NE 3.21Å; D91-R104 IonicContact OD1-NH2 3.01Å; D91-R104 PolarHBondContact OD1-NH2 2.98Å; D91-R104 IonicContact OD2-NH2 3.65Å; D91-R104 PolarHBondContact OD2-NH2 2.79Å; K100-R104 VanDerWaalsContact NZ-NH2 3.13Å; K100-R104 WeakPolarHBondContact O-CG 2.91Å; K100-R104 PolarHBondContact O-N 2.87Å; D101-R104 PolarHBondContact O-N 3.29Å; D101-R104 IonicContact OD1-NH1 2.58Å; D101-R104 PolarHBondContact OD1-NH1 3.48Å; R104-T106 VanDerWaalsContact C-N 3.31Å; R104-T106 PolarHBondContact O-N 3.44Å; R104-I107 PolarHBondContact O-N 3.42Å; R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 3.41Å
105E96.5Very high93Very high110 Ų11080.5 Ų80.551%0.51442%0.422SS..Hα-helixtrans-67.1-34.1-178.5-67.2-55.812200111.9D101 L103 K108 F109D101-E105 WeakPolarHBondContact O-CB 3.26Å; D101-E105 WeakPolarHBondContact O-CG 3.25Å; D101-E105 PolarHBondContact O-N 3.18Å; L103-E105 PolarHBondContact O-N 2.96Å; E105-K108 IonicContact OE1-NZ 3.23Å; E105-K108 PolarHBondContact OE1-NZ 3.26Å; E105-F109 VanDerWaalsContact O-CB 3.3Å; E105-F109 WeakPolarHBondContact O-CB 3.39Å; E105-F109 PolarHBondContact O-N 3.48Å
106T97.8Very high93.4Very high69 Ų6982.5 Ų82.542%0.42343%0.426SS..Hα-helixtrans-65.9-45173.9-57.40000111.3T102 L103 R104 F109 M110T102-T106 VanDerWaalsContact O-CB 3.22Å; T102-T106 WeakPolarHBondContact O-CB 3.45Å; T102-T106 PolarHBondContact O-N 2.82Å; T102-T106 PolarHBondContact O-OG1 3.38Å; L103-T106 PolarHBondContact O-N 3.44Å; R104-T106 VanDerWaalsContact C-N 3.31Å; R104-T106 PolarHBondContact O-N 3.44Å; T106-F109 WeakPolarHBondContact O-CB 3.1Å; T106-F109 PolarHBondContact O-N 3.09Å; T106-M110 HydrophobicContact CG2-CG 4.33Å; T106-M110 VanDerWaalsContact O-CG 3.28Å; T106-M110 WeakPolarHBondContact O-CG 3.31Å; T106-M110 PolarHBondContact O-N 2.56Å
107I97.8Very high94.1Very high21 Ų2179.9 Ų79.911%0.10842%0.415CS..Hα-helixtrans-63.2-46.6177.9-69.6171.1000110.4V86 V90 L103 R104 F109 M110 Y111 L130V86-I107 HydrophobicContact CG1-CB 4.13Å; V86-I107 HydrophobicContact CG1-CG2 3.62Å; V90-I107 HydrophobicContact CG2-CD1 3.61Å; L103-I107 HydrophobicContact CD1-CD1 3.93Å; L103-I107 HydrophobicContact CD1-CG1 4.29Å; L103-I107 HydrophobicContact CG-CD1 3.95Å; L103-I107 WeakPolarHBondContact O-CG1 3.23Å; L103-I107 PolarHBondContact O-N 2.93Å; R104-I107 PolarHBondContact O-N 3.42Å; I107-F109 PolarHBondContact O-N 2.76Å; I107-M110 PolarHBondContact O-N 2.78Å; I107-Y111 HydrophobicContact CG2-CD2 4Å; I107-Y111 HydrophobicContact CG2-CE2 4.41Å; I107-Y111 WeakPolarHBondContact O-CD2 3.45Å; I107-Y111 PolarHBondContact O-N 3.48Å; I107-L130 HydrophobicContact CG2-CD1 3.62Å; I107-L130 HydrophobicContact CG2-CD2 4.13Å
108K97.6Very high94.9Very high29 Ų2983.9 Ų83.913%0.12643%0.429CS..Hα-helixtrans-55-44.3174-71176.9-172.2170.30111.3V86 R104 E105 T112V86-K108 HydrophobicContact CB-CG 4.05Å; V86-K108 HydrophobicContact CG1-CG 3.67Å; V86-K108 HydrophobicContact CG2-CG 4.38Å; R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 3.41Å; E105-K108 IonicContact OE1-NZ 3.23Å; E105-K108 PolarHBondContact OE1-NZ 3.26Å; K108-T112 WeakPolarHBondContact O-CB 3.11Å; K108-T112 PolarHBondContact O-N 2.94Å; K108-T112 VanDerWaalsContact O-N 3.09Å; K108-T112 PolarHBondContact O-OG1 3.46Å
109F98.2Very high95.7Very high114 Ų11476.2 Ų76.250%0.539%0.394SS..Hα-helixtrans-61.8-45.4178.5173.4-87.8000112.5E105 T106 I107 T112 W114E105-F109 VanDerWaalsContact O-CB 3.3Å; E105-F109 WeakPolarHBondContact O-CB 3.39Å; E105-F109 PolarHBondContact O-N 3.48Å; T106-F109 WeakPolarHBondContact O-CB 3.1Å; T106-F109 PolarHBondContact O-N 3.09Å; I107-F109 PolarHBondContact O-N 2.76Å; F109-T112 PolarHBondContact O-N 2.87Å; F109-W114 HydrophobicContact CB-CZ2 4.33Å; F109-W114 AromaticContact CD2-CE2 3.69Å; F109-W114 HydrophobicContact CD2-CH2 4.26Å; F109-W114 AromaticContact CD2-CZ2 3.28Å; F109-W114 HydrophobicContact CD2-CZ2 3.28Å; F109-W114 AromaticContact CD2-NE1 3.76Å; F109-W114 AromaticContact CE2-CE2 3.73Å; F109-W114 AromaticContact CE2-CZ2 3.75Å; F109-W114 HydrophobicContact CE2-CZ2 3.75Å; F109-W114 AromaticContact CE2-NE1 3.64Å; F109-W114 HydrophobicContact CG-CZ2 4.04Å; F109-W114 AromaticContact CZ-NE1 3.96Å; F109-W114 PolarHBondContact O-NE1 3.25Å
110M98.5Very high96.2Very high127 Ų12776.5 Ų76.563%0.62639%0.388SS*.Hα-helixtrans-68.7-34.1-177.5-69.8-58.7-64.100112.9T106 I107T106-M110 HydrophobicContact CG2-CG 4.33Å; T106-M110 VanDerWaalsContact O-CG 3.28Å; T106-M110 WeakPolarHBondContact O-CG 3.31Å; T106-M110 PolarHBondContact O-N 2.56Å; I107-M110 PolarHBondContact O-N 2.78Å
111Y98.4Very high96.7Very high52 Ų5280.4 Ų80.420%0.20441%0.406CS..THydrogen-bonded Turntrans-98.911.5-179-72.1-89.7000113.7I107 T126 A129 L130 D133I107-Y111 HydrophobicContact CG2-CD2 4Å; I107-Y111 HydrophobicContact CG2-CE2 4.41Å; I107-Y111 WeakPolarHBondContact O-CD2 3.45Å; I107-Y111 PolarHBondContact O-N 3.48Å; Y111-T126 WeakPolarHBondContact CD1-O 3.3Å; Y111-T126 WeakPolarHBondContact O-CB 3.39Å; Y111-T126 WeakPolarHBondContact O-CG2 3.37Å; Y111-T126 PolarHBondContact O-OG1 2.87Å; Y111-A129 HydrophobicContact CE1-CB 4.4Å; Y111-L130 HydrophobicContact CD1-CB 3.77Å; Y111-L130 HydrophobicContact CD2-CB 4.4Å; Y111-L130 HydrophobicContact CD2-CD1 3.7Å; Y111-L130 HydrophobicContact CE1-CB 3.78Å; Y111-L130 HydrophobicContact CE1-CD1 4.26Å; Y111-L130 HydrophobicContact CE2-CB 4.4Å; Y111-L130 HydrophobicContact CE2-CD1 3.39Å; Y111-L130 HydrophobicContact CE2-CG 4.49Å; Y111-L130 HydrophobicContact CG-CB 4.07Å; Y111-L130 HydrophobicContact CG-CD1 4.24Å; Y111-D133 WeakPolarHBondContact OH-CB 3.35Å; Y111-D133 PolarHBondContact OH-OD2 3.11Å
112T98.4Very high97.1Very high28 Ų2876.2 Ų76.217%0.17239%0.385CS..SBendtrans-91122.4166.6-64.60000108.9K108 F109 W114 R117K108-T112 WeakPolarHBondContact O-CB 3.11Å; K108-T112 PolarHBondContact O-N 2.94Å; K108-T112 VanDerWaalsContact O-N 3.09Å; K108-T112 PolarHBondContact O-OG1 3.46Å; F109-T112 PolarHBondContact O-N 2.87Å; T112-W114 HydrophobicContact CG2-CD2 3.89Å; T112-W114 HydrophobicContact CG2-CE3 4.01Å; T112-W114 HydrophobicContact CG2-CG 4.45Å; T112-W114 HydrophobicContact CG2-CH2 4.13Å; T112-W114 HydrophobicContact CG2-CZ2 3.99Å; T112-W114 HydrophobicContact CG2-CZ3 4.13Å; T112-W114 PolarHBondContact O-N 2.77Å; T112-W114 VanDerWaalsContact O-N 3.09Å; T112-W114 PolarHBondContact O-NE1 2.67Å; T112-R117 HydrophobicContact CG2-CB 4.48Å; T112-R117 HydrophobicContact CG2-CG 3.94Å
113D97.8Very high97.2Very high65 Ų6573.8 Ų73.835%0.34836%0.364SS..  trans-72.7101165.5-173.5-18.4000109A115 D116 R117 T122D113-A115 PolarHBondContact O-N 2.92Å; D113-A115 WeakPolarHBondContact OD1-CB 3.22Å; D113-A115 PolarHBondContact OD1-N 2.96Å; D113-D116 CarbonylContact O-C 3.38Å; D113-D116 PolarHBondContact O-N 3.16Å; D113-D116 PolarHBondContact OD1-N 3.44Å; D113-R117 WeakPolarHBondContact O-CA 3.32Å; D113-R117 PolarHBondContact O-N 3.11Å; D113-T122 HydrophobicContact CB-CG2 3.46Å; D113-T122 VanDerWaalsContact CB-CG2 3.46Å
114W97.6Very high97.4Very high132 Ų13271.5 Ų71.550%0.535%0.352SS..THydrogen-bonded Turntrans-69.7-17.7-178.5-64.7101.9000113.9F109 T112F109-W114 HydrophobicContact CB-CZ2 4.33Å; F109-W114 AromaticContact CD2-CE2 3.69Å; F109-W114 HydrophobicContact CD2-CH2 4.26Å; F109-W114 AromaticContact CD2-CZ2 3.28Å; F109-W114 HydrophobicContact CD2-CZ2 3.28Å; F109-W114 AromaticContact CD2-NE1 3.76Å; F109-W114 AromaticContact CE2-CE2 3.73Å; F109-W114 AromaticContact CE2-CZ2 3.75Å; F109-W114 HydrophobicContact CE2-CZ2 3.75Å; F109-W114 AromaticContact CE2-NE1 3.64Å; F109-W114 HydrophobicContact CG-CZ2 4.04Å; F109-W114 AromaticContact CZ-NE1 3.96Å; F109-W114 PolarHBondContact O-NE1 3.25Å; T112-W114 HydrophobicContact CG2-CD2 3.89Å; T112-W114 HydrophobicContact CG2-CE3 4.01Å; T112-W114 HydrophobicContact CG2-CG 4.45Å; T112-W114 HydrophobicContact CG2-CH2 4.13Å; T112-W114 HydrophobicContact CG2-CZ2 3.99Å; T112-W114 HydrophobicContact CG2-CZ3 4.13Å; T112-W114 PolarHBondContact O-N 2.77Å; T112-W114 VanDerWaalsContact O-N 3.09Å; T112-W114 PolarHBondContact O-NE1 2.67Å
115A97.8Very high97.6Very high99 Ų9974.9 Ų74.982%0.81837%0.368SS*.THydrogen-bonded Turntrans-82.4-26.417600000112.1D113D113-A115 PolarHBondContact O-N 2.92Å; D113-A115 WeakPolarHBondContact OD1-CB 3.22Å; D113-A115 PolarHBondContact OD1-N 2.96Å
116D96.7Very high97.7Very high69 Ų6971 Ų7137%0.36935%0.351SS..SBendtrans-136.142.9-177.4-164.425.1000112.9D113 E118 N119 T122D113-D116 CarbonylContact O-C 3.38Å; D113-D116 PolarHBondContact O-N 3.16Å; D113-D116 PolarHBondContact OD1-N 3.44Å; D116-E118 PolarHBondContact O-N 3.13Å; D116-E118 VanDerWaalsContact O-N 3.11Å; D116-N119 HydrophobicContact CB-CB 4.46Å; D116-N119 WeakPolarHBondContact O-CB 3.49Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 WeakPolarHBondContact OD1-CB 3.32Å; D116-N119 WeakPolarHBondContact OD2-CB 3.45Å; D116-N119 PolarHBondContact OD2-ND2 2.97Å; D116-T122 PolarHBondContact OD2-OG1 2.94Å
117R94.1Very high97.7Very high142 Ų14267.7 Ų67.754%0.53633%0.331SS..THydrogen-bonded Turntrans-55.6-34-168.6-178.9-179.9-179.9-162.8-0.7115T112 D113 N119T112-R117 HydrophobicContact CG2-CB 4.48Å; T112-R117 HydrophobicContact CG2-CG 3.94Å; D113-R117 WeakPolarHBondContact O-CA 3.32Å; D113-R117 PolarHBondContact O-N 3.11Å; R117-N119 VanDerWaalsContact C-N 3.32Å
118E95.1Very high97.8Very high140 Ų14067.3 Ų67.365%0.65433%0.33SS*.THydrogen-bonded Turntrans-84.1-9.6-174.7-60.8-54.7140.600112.9D116 P120D116-E118 PolarHBondContact O-N 3.13Å; D116-E118 VanDerWaalsContact O-N 3.11Å; E118-P120 WeakPolarHBondContact O-CD 3.43Å
119N98Very high97.8Very high45 Ų4567.4 Ų67.424%0.24134%0.336CS..  trans-74.2114.7-176.8-174.6-22.7000111.9D116 R117 E121 T122 R123D116-N119 HydrophobicContact CB-CB 4.46Å; D116-N119 WeakPolarHBondContact O-CB 3.49Å; D116-N119 PolarHBondContact O-N 3.36Å; D116-N119 WeakPolarHBondContact OD1-CB 3.32Å; D116-N119 WeakPolarHBondContact OD2-CB 3.45Å; D116-N119 PolarHBondContact OD2-ND2 2.97Å; R117-N119 VanDerWaalsContact C-N 3.32Å; N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact O-N 3.48Å; N119-E121 WeakPolarHBondContact OD1-CB 3.11Å; N119-E121 PolarHBondContact OD1-N 3.31Å; N119-T122 PolarHBondContact ND2-OG1 2.71Å; N119-T122 PolarHBondContact O-N 3.45Å; N119-T122 PolarHBondContact OD1-N 3.32Å; N119-R123 PolarHBondContact O-N 3.03Å; N119-R123 VanDerWaalsContact O-N 3.13Å
120P97.9Very high97.8Very high52 Ų5262.2 Ų62.234%0.33831%0.314SS..Hα-helixtrans-64.5-33.3-179.4-21.935.2000114I77 E118 R123 R124I77-P120 PolarHBondContact N-O 2.99Å; E118-P120 WeakPolarHBondContact O-CD 3.43Å; P120-R123 PolarHBondContact O-N 3.02Å; P120-R124 PolarHBondContact O-N 2.91Å; P120-R124 VanDerWaalsContact O-N 3.09Å
121E98.1Very high97.9Very high95 Ų9557.1 Ų57.144%0.44429%0.288SS..Hα-helixtrans-70-38.2177.3-64.5-179.3-149.900111N119 R123 R124 K125N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact O-N 3.48Å; N119-E121 WeakPolarHBondContact OD1-CB 3.11Å; N119-E121 PolarHBondContact OD1-N 3.31Å; E121-R123 VanDerWaalsContact C-N 3.35Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 2.9Å; E121-K125 WeakPolarHBondContact O-CG 3.21Å; E121-K125 PolarHBondContact O-N 3.03Å
122T98Very high97.9Very high20 Ų2054.8 Ų54.812%0.12328%0.279CS..Hα-helixtrans-63.6-42.6175.6-58.80000110.4D113 D116 N119 R124 K125 T126D113-T122 HydrophobicContact CB-CG2 3.46Å; D113-T122 VanDerWaalsContact CB-CG2 3.46Å; D116-T122 PolarHBondContact OD2-OG1 2.94Å; N119-T122 PolarHBondContact ND2-OG1 2.71Å; N119-T122 PolarHBondContact O-N 3.45Å; N119-T122 PolarHBondContact OD1-N 3.32Å; T122-R124 VanDerWaalsContact C-N 3.3Å; T122-R124 PolarHBondContact O-N 3.01Å; T122-K125 PolarHBondContact O-N 3.21Å; T122-T126 WeakPolarHBondContact O-CG2 3.22Å; T122-T126 PolarHBondContact O-N 3.35Å; T122-T126 PolarHBondContact O-OG1 3.37Å
123R98.4Very high97.9Very high46 Ų4656.2 Ų56.217%0.17429%0.286CS..Hα-helixtrans-58.6-40171.6-72.1-167.9-65.2-118.5-3112.7I77 F82 N119 P120 E121 T126 L127I77-R123 HydrophobicContact CB-CB 4.38Å; I77-R123 PolarHBondContact O-NE 3.15Å; I77-R123 PolarHBondContact O-NH2 2.85Å; F82-R123 HydrophobicContact CD2-CB 4.23Å; N119-R123 PolarHBondContact O-N 3.03Å; N119-R123 VanDerWaalsContact O-N 3.13Å; P120-R123 PolarHBondContact O-N 3.02Å; E121-R123 VanDerWaalsContact C-N 3.35Å; R123-T126 PolarHBondContact O-OG1 3.48Å; R123-L127 VanDerWaalsContact O-CB 3.32Å; R123-L127 WeakPolarHBondContact O-CB 2.99Å; R123-L127 PolarHBondContact O-N 3.05Å
124R98.4Very high97.9Very high7 Ų755.8 Ų55.83%0.02628%0.282CS..Hα-helixtrans-60.9-48.6174.3-170.2-159.668.5-150.73.3111.6V67 V71 D75 I77 P120 E121 T122 T126 L127 V128 W171V67-R124 HydrophobicContact CG2-CG 4.3Å; V71-R124 HydrophobicContact CG2-CG 3.86Å; D75-R124 WeakPolarHBondContact O-CD 3.38Å; D75-R124 PolarHBondContact O-NH1 2.75Å; I77-R124 HydrophobicContact CB-CB 4.47Å; I77-R124 HydrophobicContact CD1-CB 3.96Å; I77-R124 HydrophobicContact CD1-CG 3.89Å; I77-R124 HydrophobicContact CG1-CB 3.85Å; I77-R124 HydrophobicContact CG1-CG 4.02Å; P120-R124 PolarHBondContact O-N 2.91Å; P120-R124 VanDerWaalsContact O-N 3.09Å; E121-R124 WeakPolarHBondContact O-CB 3.49Å; E121-R124 PolarHBondContact O-N 2.9Å; T122-R124 VanDerWaalsContact C-N 3.3Å; T122-R124 PolarHBondContact O-N 3.01Å; R124-T126 PolarHBondContact O-N 2.86Å; R124-L127 PolarHBondContact O-N 3.16Å; R124-V128 WeakPolarHBondContact O-CG2 3.26Å; R124-V128 PolarHBondContact O-N 3.25Å; R124-W171 VanDerWaalsContact NH2-CE3 3.31Å
125K98.4Very high98Very high111 Ų11152.3 Ų52.348%0.48327%0.271SS..Hα-helixtrans-59.9-45.5179.3-71.1174.6-176.8173.20111.6E121 T122 L127 V128 A129E121-K125 WeakPolarHBondContact O-CG 3.21Å; E121-K125 PolarHBondContact O-N 3.03Å; T122-K125 PolarHBondContact O-N 3.21Å; K125-L127 VanDerWaalsContact C-N 3.33Å; K125-L127 PolarHBondContact O-N 3.44Å; K125-V128 PolarHBondContact O-N 2.86Å; K125-A129 WeakPolarHBondContact O-CB 3.36Å; K125-A129 PolarHBondContact O-N 3.33Å
126T98.6Very high98Very high27 Ų2750.4 Ų50.417%0.16624%0.243CC..Hα-helixtrans-70.9-29.1-179.8620000112.8Y111 T122 R123 R124 A129 L130Y111-T126 WeakPolarHBondContact CD1-O 3.3Å; Y111-T126 WeakPolarHBondContact O-CB 3.39Å; Y111-T126 WeakPolarHBondContact O-CG2 3.37Å; Y111-T126 PolarHBondContact O-OG1 2.87Å; T122-T126 WeakPolarHBondContact O-CG2 3.22Å; T122-T126 PolarHBondContact O-N 3.35Å; T122-T126 PolarHBondContact O-OG1 3.37Å; R123-T126 PolarHBondContact O-OG1 3.48Å; R124-T126 PolarHBondContact O-N 2.86Å; T126-A129 PolarHBondContact O-N 2.88Å; T126-L130 PolarHBondContact O-N 3.47Å
127L98.4Very high98.1Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-71.9-39.7174.7-16565000112.1F66 V67 V70 I77 F82 V86 R123 R124 K125 A129 L130 F131F66-L127 HydrophobicContact CD1-CD1 4.37Å; F66-L127 HydrophobicContact CD1-CG 3.89Å; F66-L127 VanDerWaalsContact CD1-O 3.3Å; F66-L127 WeakPolarHBondContact CD1-O 3.28Å; F66-L127 HydrophobicContact CE1-CD1 3.52Å; F66-L127 HydrophobicContact CE1-CD2 4.32Å; F66-L127 HydrophobicContact CE1-CG 3.54Å; F66-L127 HydrophobicContact CZ-CD1 4.27Å; V67-L127 HydrophobicContact CG1-CB 4.05Å; V67-L127 HydrophobicContact CG1-CD2 3.81Å; V67-L127 HydrophobicContact CG1-CG 3.94Å; V70-L127 HydrophobicContact CG2-CD2 4.3Å; I77-L127 HydrophobicContact CD1-CB 4.35Å; I77-L127 HydrophobicContact CD1-CD2 3.6Å; F82-L127 HydrophobicContact CD2-CB 4.26Å; F82-L127 HydrophobicContact CD2-CD1 4.16Å; F82-L127 HydrophobicContact CE2-CB 4.4Å; F82-L127 HydrophobicContact CE2-CD1 4.27Å; V86-L127 HydrophobicContact CG2-CD1 4.08Å; R123-L127 VanDerWaalsContact O-CB 3.32Å; R123-L127 WeakPolarHBondContact O-CB 2.99Å; R123-L127 PolarHBondContact O-N 3.05Å; R124-L127 PolarHBondContact O-N 3.16Å; K125-L127 VanDerWaalsContact C-N 3.33Å; K125-L127 PolarHBondContact O-N 3.44Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-L130 HydrophobicContact CD1-CD2 4.19Å; L127-L130 PolarHBondContact O-N 2.95Å; L127-F131 PolarHBondContact O-N 2.92Å
128V98.7Very high98.3Very high13 Ų1347.4 Ų47.48%0.07924%0.235CC..Hα-helixtrans-61.4-42.9169.1172.50000110.5V67 R124 K125 F131 T132V67-V128 HydrophobicContact CB-CG2 4.41Å; V67-V128 HydrophobicContact CG1-CG2 3.72Å; V67-V128 HydrophobicContact CG2-CG2 3.73Å; R124-V128 WeakPolarHBondContact O-CG2 3.26Å; R124-V128 PolarHBondContact O-N 3.25Å; K125-V128 PolarHBondContact O-N 2.86Å; V128-F131 PolarHBondContact O-N 2.9Å; V128-T132 VanDerWaalsContact O-CB 3.31Å; V128-T132 WeakPolarHBondContact O-CB 3.17Å; V128-T132 PolarHBondContact O-N 2.71Å; V128-T132 PolarHBondContact O-OG1 3.11Å
129A98.8Very high98.5Very high32 Ų3243 Ų4326%0.26422%0.218SC..Hα-helixtrans-61.2-46.3177.300000111.8Y111 K125 T126 L127 F131 T132 D133Y111-A129 HydrophobicContact CE1-CB 4.4Å; K125-A129 WeakPolarHBondContact O-CB 3.36Å; K125-A129 PolarHBondContact O-N 3.33Å; T126-A129 PolarHBondContact O-N 2.88Å; L127-A129 VanDerWaalsContact C-N 3.32Å; A129-F131 VanDerWaalsContact C-N 3.3Å; A129-F131 PolarHBondContact O-N 3.14Å; A129-T132 CarbonylContact O-C 3.6Å; A129-T132 PolarHBondContact O-N 3.5Å; A129-T132 VanDerWaalsContact O-N 3.12Å; A129-D133 VanDerWaalsContact O-CB 3.27Å; A129-D133 WeakPolarHBondContact O-CB 3.2Å; A129-D133 PolarHBondContact O-N 3.29Å
130L98.8Very high98.5Very high4 Ų442 Ų422%0.02122%0.215CC..Hα-helixtrans-50.7-49.5177.1170.765.7000112.5V86 F89 I107 Y111 T126 L127 H134V86-L130 HydrophobicContact CG2-CD2 3.91Å; F89-L130 HydrophobicContact CD1-CD2 4.31Å; F89-L130 HydrophobicContact CE1-CD1 4.18Å; F89-L130 HydrophobicContact CE1-CG 4.44Å; I107-L130 HydrophobicContact CG2-CD1 3.62Å; I107-L130 HydrophobicContact CG2-CD2 4.13Å; Y111-L130 HydrophobicContact CD1-CB 3.77Å; Y111-L130 HydrophobicContact CD2-CB 4.4Å; Y111-L130 HydrophobicContact CD2-CD1 3.7Å; Y111-L130 HydrophobicContact CE1-CB 3.78Å; Y111-L130 HydrophobicContact CE1-CD1 4.26Å; Y111-L130 HydrophobicContact CE2-CB 4.4Å; Y111-L130 HydrophobicContact CE2-CD1 3.39Å; Y111-L130 HydrophobicContact CE2-CG 4.49Å; Y111-L130 HydrophobicContact CG-CB 4.07Å; Y111-L130 HydrophobicContact CG-CD1 4.24Å; T126-L130 PolarHBondContact O-N 3.47Å; L127-L130 HydrophobicContact CD1-CD2 4.19Å; L127-L130 PolarHBondContact O-N 2.95Å; L130-H134 WeakPolarHBondContact O-CB 3.41Å; L130-H134 PolarHBondContact O-N 3.48Å; L130-H134 VanDerWaalsContact O-N 3.16Å
131F98.7Very high98.6Very high21 Ų2142.9 Ų42.99%0.09222%0.219CC..Hα-helixtrans-73.3-37.6-178.1-160.7-105.7000111.8Y23 F66 F89 L127 V128 A129 Q135 W136Y23-F131 AromaticContact CD1-CE2 3.74Å; Y23-F131 HydrophobicContact CD1-CE2 3.74Å; Y23-F131 AromaticContact CD1-CZ 3.64Å; Y23-F131 HydrophobicContact CD1-CZ 3.64Å; Y23-F131 AromaticContact CE1-CE2 3.35Å; Y23-F131 HydrophobicContact CE1-CE2 3.35Å; Y23-F131 AromaticContact CE1-CZ 3.49Å; Y23-F131 HydrophobicContact CE1-CZ 3.49Å; Y23-F131 VanDerWaalsContact CE1-CZ 3.49Å; Y23-F131 HydrophobicContact CE2-CE2 4.44Å; Y23-F131 HydrophobicContact CG-CE2 4.44Å; Y23-F131 AromaticContact CZ-CE2 3.74Å; F66-F131 HydrophobicContact CB-CB 3.79Å; F66-F131 HydrophobicContact CB-CD1 3.69Å; F66-F131 HydrophobicContact CB-CD2 4.29Å; F66-F131 HydrophobicContact CB-CE1 4.36Å; F66-F131 HydrophobicContact CB-CG 3.66Å; F66-F131 HydrophobicContact CD1-CB 3.44Å; F66-F131 VanDerWaalsContact CD1-CB 3.44Å; F66-F131 HydrophobicContact CD1-CD2 4.2Å; F66-F131 AromaticContact CD1-CG 3.92Å; F66-F131 HydrophobicContact CD1-CG 3.92Å; F66-F131 HydrophobicContact CD2-CB 4.19Å; F66-F131 HydrophobicContact CD2-CD1 4.31Å; F66-F131 AromaticContact CD2-CD2 3.44Å; F66-F131 HydrophobicContact CD2-CD2 3.44Å; F66-F131 VanDerWaalsContact CD2-CD2 3.44Å; F66-F131 AromaticContact CD2-CE2 3.84Å; F66-F131 HydrophobicContact CD2-CE2 3.84Å; F66-F131 AromaticContact CD2-CG 3.72Å; F66-F131 HydrophobicContact CD2-CG 3.72Å; F66-F131 HydrophobicContact CD2-CZ 4.43Å; F66-F131 HydrophobicContact CE1-CB 3.95Å; F66-F131 HydrophobicContact CE1-CD2 4.36Å; F66-F131 HydrophobicContact CE1-CG 4.45Å; F66-F131 AromaticContact CE2-CD2 3.7Å; F66-F131 HydrophobicContact CE2-CD2 3.7Å; F66-F131 HydrophobicContact CE2-CE2 4.15Å; F66-F131 HydrophobicContact CE2-CG 4.34Å; F66-F131 HydrophobicContact CG-CB 3.55Å; F66-F131 HydrophobicContact CG-CD1 4.05Å; F66-F131 AromaticContact CG-CD2 3.73Å; F66-F131 HydrophobicContact CG-CD2 3.73Å; F66-F131 HydrophobicContact CG-CE2 4.46Å; F66-F131 AromaticContact CG-CG 3.5Å; F66-F131 HydrophobicContact CG-CG 3.5Å; F66-F131 VanDerWaalsContact CG-CG 3.5Å; F66-F131 HydrophobicContact CZ-CD2 4.16Å; F89-F131 AromaticContact CD2-CD2 3.76Å; F89-F131 HydrophobicContact CD2-CD2 3.76Å; F89-F131 HydrophobicContact CD2-CE2 4.08Å; F89-F131 AromaticContact CE2-CD2 3.61Å; F89-F131 HydrophobicContact CE2-CD2 3.61Å; F89-F131 AromaticContact CE2-CE2 3.98Å; F89-F131 HydrophobicContact CE2-CE2 3.98Å; L127-F131 PolarHBondContact O-N 2.92Å; V128-F131 PolarHBondContact O-N 2.9Å; A129-F131 VanDerWaalsContact C-N 3.3Å; A129-F131 PolarHBondContact O-N 3.14Å; F131-Q135 HydrophobicContact CD1-CG 4.19Å; F131-Q135 HydrophobicContact CD2-CG 4.05Å; F131-Q135 HydrophobicContact CE1-CG 3.91Å; F131-Q135 HydrophobicContact CE2-CG 3.74Å; F131-Q135 HydrophobicContact CG-CG 4.25Å; F131-Q135 HydrophobicContact CZ-CG 3.67Å; F131-Q135 VanDerWaalsContact O-CB 3.28Å; F131-Q135 WeakPolarHBondContact O-CB 3.47Å; F131-Q135 WeakPolarHBondContact O-CG 3.49Å; F131-Q135 PolarHBondContact O-N 3.05Å; F131-W136 HydrophobicContact CD1-CH2 4.04Å; F131-W136 AromaticContact CD1-CZ3 3.56Å; F131-W136 HydrophobicContact CD1-CZ3 3.56Å; F131-W136 AromaticContact CE1-CH2 3.77Å; F131-W136 HydrophobicContact CE1-CH2 3.77Å; F131-W136 AromaticContact CE1-CZ3 3.69Å; F131-W136 HydrophobicContact CE1-CZ3 3.69Å
132T98.8Very high98.6Very high3 Ų340.9 Ų40.92%0.01821%0.213CC..Hα-helixtrans-61-47.3174.8-58.60000111.1E62 G63 V128 A129 W136 V137E62-T132 HydrophobicContact CB-CG2 3.9Å; E62-T132 HydrophobicContact CG-CG2 4.04Å; E62-T132 PolarHBondContact N-OG1 3.06Å; G63-T132 PolarHBondContact N-OG1 3.11Å; V128-T132 VanDerWaalsContact O-CB 3.31Å; V128-T132 WeakPolarHBondContact O-CB 3.17Å; V128-T132 PolarHBondContact O-N 2.71Å; V128-T132 PolarHBondContact O-OG1 3.11Å; A129-T132 CarbonylContact O-C 3.6Å; A129-T132 PolarHBondContact O-N 3.5Å; A129-T132 VanDerWaalsContact O-N 3.12Å; T132-W136 WeakPolarHBondContact O-CB 3.42Å; T132-W136 PolarHBondContact O-N 3.32Å; T132-V137 HydrophobicContact CG2-CG2 4Å; T132-V137 PolarHBondContact O-N 3Å
133D98.9Very high98.6Very high58 Ų5842.6 Ų42.631%0.3122%0.224SC..Iπ-helixtrans-63.8-49.2-176.7-73.5-13.4000110.8Y111 A129 V137 E138Y111-D133 WeakPolarHBondContact OH-CB 3.35Å; Y111-D133 PolarHBondContact OH-OD2 3.11Å; A129-D133 VanDerWaalsContact O-CB 3.27Å; A129-D133 WeakPolarHBondContact O-CB 3.2Å; A129-D133 PolarHBondContact O-N 3.29Å; D133-V137 PolarHBondContact O-N 3.28Å; D133-E138 VanDerWaalsContact O-CB 3.29Å; D133-E138 WeakPolarHBondContact O-CB 3.36Å; D133-E138 PolarHBondContact O-N 3.02Å
134H98.6Very high98.6Very high56 Ų5641 Ų4126%0.25922%0.22SC..Iπ-helixtrans-72.6-43.3-177.5-173.8-82.1000113.3F89 Y94 L130 P139F89-H134 HydrophobicContact CE2-CB 4.41Å; F89-H134 HydrophobicContact CZ-CB 3.69Å; F89-H134 AromaticContact CZ-CD2 3.94Å; F89-H134 AromaticContact CZ-CG 3.55Å; F89-H134 AromaticContact CZ-ND1 3.86Å; Y94-H134 AromaticContact CZ-NE2 3.62Å; Y94-H134 PolarHBondContact OH-CD2 2.73Å; Y94-H134 VanDerWaalsContact OH-CD2 3.26Å; Y94-H134 PolarHBondContact OH-NE2 2.93Å; L130-H134 WeakPolarHBondContact O-CB 3.41Å; L130-H134 PolarHBondContact O-N 3.48Å; L130-H134 VanDerWaalsContact O-N 3.16Å; H134-P139 WeakPolarHBondContact O-CD 3.16Å
135Q98.4Very high98.6Very high58 Ų5844.5 Ų44.527%0.27124%0.24SC..Iπ-helixtrans-87.9-19-171.9-61.7-57.7130.500113.7F131F131-Q135 HydrophobicContact CD1-CG 4.19Å; F131-Q135 HydrophobicContact CD2-CG 4.05Å; F131-Q135 HydrophobicContact CE1-CG 3.91Å; F131-Q135 HydrophobicContact CE2-CG 3.74Å; F131-Q135 HydrophobicContact CG-CG 4.25Å; F131-Q135 HydrophobicContact CZ-CG 3.67Å; F131-Q135 VanDerWaalsContact O-CB 3.28Å; F131-Q135 WeakPolarHBondContact O-CB 3.47Å; F131-Q135 WeakPolarHBondContact O-CG 3.49Å; F131-Q135 PolarHBondContact O-N 3.05Å
136W98.8Very high98.5Very high60 Ų6039.9 Ų39.923%0.22722%0.22CC..Iπ-helixtrans-130.8-52.7-177.6-68.2-94000113.8I58 E62 F131 T132 S140 H176I58-W136 HydrophobicContact CG2-CB 4.06Å; E62-W136 HydrophobicContact CB-CB 4.32Å; E62-W136 HydrophobicContact CB-CD2 3.37Å; E62-W136 HydrophobicContact CB-CE3 3.4Å; E62-W136 HydrophobicContact CB-CG 3.79Å; E62-W136 HydrophobicContact CB-CH2 4.2Å; E62-W136 HydrophobicContact CB-CZ2 4.18Å; E62-W136 HydrophobicContact CB-CZ3 3.83Å; E62-W136 HydrophobicContact CG-CB 3.88Å; E62-W136 HydrophobicContact CG-CD2 3.8Å; E62-W136 HydrophobicContact CG-CE3 4.23Å; E62-W136 HydrophobicContact CG-CG 3.62Å; F131-W136 HydrophobicContact CD1-CH2 4.04Å; F131-W136 AromaticContact CD1-CZ3 3.56Å; F131-W136 HydrophobicContact CD1-CZ3 3.56Å; F131-W136 AromaticContact CE1-CH2 3.77Å; F131-W136 HydrophobicContact CE1-CH2 3.77Å; F131-W136 AromaticContact CE1-CZ3 3.69Å; F131-W136 HydrophobicContact CE1-CZ3 3.69Å; T132-W136 WeakPolarHBondContact O-CB 3.42Å; T132-W136 PolarHBondContact O-N 3.32Å; W136-S140 WeakPolarHBondContact O-CB 3.34Å; W136-S140 PolarHBondContact O-N 3.1Å; W136-S140 VanDerWaalsContact O-N 3.1Å; W136-S140 PolarHBondContact O-OG 3.22Å; W136-H176 AromaticContact CE2-ND1 3.96Å; W136-H176 AromaticContact NE1-CE1 3.62Å; W136-H176 AromaticContact NE1-ND1 3.42Å; W136-H176 PolarHBondContact NE1-ND1 3.34Å
137V98.8Very high98.5Very high37 Ų3738.7 Ų38.722%0.22421%0.213CC..Iπ-helixtrans-66.9-55.5-170.9-1760000111.3I58 T132 D133 S140 V141I58-V137 HydrophobicContact CD1-CG2 4.18Å; I58-V137 HydrophobicContact CG1-CG2 4.22Å; T132-V137 HydrophobicContact CG2-CG2 4Å; T132-V137 PolarHBondContact O-N 3Å; D133-V137 PolarHBondContact O-N 3.28Å; V137-S140 PolarHBondContact O-N 2.82Å; V137-V141 HydrophobicContact CG1-CG2 4.2Å; V137-V141 WeakPolarHBondContact O-CB 3.26Å; V137-V141 VanDerWaalsContact O-CG2 3.29Å; V137-V141 WeakPolarHBondContact O-CG2 3.39Å; V137-V141 PolarHBondContact O-N 2.94Å
138E98.4Very high98.5Very high110 Ų11041 Ų4151%0.51423%0.232SC..Hα-helixtrans-55.5-54.2-179.7-170.9-81167.300112D133 S140 V141 V142D133-E138 VanDerWaalsContact O-CB 3.29Å; D133-E138 WeakPolarHBondContact O-CB 3.36Å; D133-E138 PolarHBondContact O-N 3.02Å; E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 3.12Å; E138-V141 PolarHBondContact O-N 2.95Å; E138-V141 VanDerWaalsContact O-N 3.14Å; E138-V142 WeakPolarHBondContact O-CG2 3.45Å; E138-V142 PolarHBondContact O-N 3.01Å; E138-V142 WeakPolarHBondContact OE1-CG2 3.17Å
139P98.6Very high98.3Very high48 Ų4848.2 Ų48.231%0.31226%0.258SS..Hα-helixtrans-66-32.2-178.522-33000112.4H134 T143H134-P139 WeakPolarHBondContact O-CD 3.16Å; P139-T143 VanDerWaalsContact O-CB 3.26Å; P139-T143 WeakPolarHBondContact O-CB 3.37Å; P139-T143 PolarHBondContact O-N 3.28Å; P139-T143 PolarHBondContact O-OG1 3.32Å
140S98.6Very high98.1Very high23 Ų2351.9 Ų51.916%0.16127%0.265CS..Hα-helixtrans-68.7-40.3175.4-60.10000111.9L56 I58 W136 V137 E138 T143 A144L56-S140 WeakPolarHBondContact CD1-O 3.39Å; I58-S140 WeakPolarHBondContact CG2-OG 3.28Å; W136-S140 WeakPolarHBondContact O-CB 3.34Å; W136-S140 PolarHBondContact O-N 3.1Å; W136-S140 VanDerWaalsContact O-N 3.1Å; W136-S140 PolarHBondContact O-OG 3.22Å; V137-S140 PolarHBondContact O-N 2.82Å; E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 3.12Å; S140-T143 PolarHBondContact O-N 3.44Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.23Å
141V98.6Very high97.9Very high71 Ų7154.7 Ų54.743%0.4330%0.295SS..Hα-helixtrans-68.4-43.9177.3170.50000110.8V137 E138 T143 A144 D145 F156V137-V141 HydrophobicContact CG1-CG2 4.2Å; V137-V141 WeakPolarHBondContact O-CB 3.26Å; V137-V141 VanDerWaalsContact O-CG2 3.29Å; V137-V141 WeakPolarHBondContact O-CG2 3.39Å; V137-V141 PolarHBondContact O-N 2.94Å; E138-V141 PolarHBondContact O-N 2.95Å; E138-V141 VanDerWaalsContact O-N 3.14Å; V141-T143 VanDerWaalsContact C-N 3.33Å; V141-T143 PolarHBondContact O-N 3.03Å; V141-A144 PolarHBondContact O-N 2.58Å; V141-D145 WeakPolarHBondContact O-CB 3.42Å; V141-D145 PolarHBondContact O-N 2.79Å; V141-F156 HydrophobicContact CG2-CE2 4.39Å; V141-F156 HydrophobicContact CG2-CZ 4.12Å
142V98.3Very high97.7Very high54 Ų5454 Ų5433%0.32729%0.293SS..Hα-helixtrans-60-45.1174.9171.80000110.6E138 A144 D145 L146E138-V142 WeakPolarHBondContact O-CG2 3.45Å; E138-V142 PolarHBondContact O-N 3.01Å; E138-V142 WeakPolarHBondContact OE1-CG2 3.17Å; V142-A144 PolarHBondContact O-N 3.35Å; V142-D145 PolarHBondContact O-N 3.3Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.38Å; V142-L146 WeakPolarHBondContact O-CB 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.09Å; V142-L146 PolarHBondContact O-N 3.48Å
143T98.4Very high97.7Very high55 Ų5556.4 Ų56.434%0.33731%0.309SS..Hα-helixtrans-58.6-47175.2-62.20000111.5M44 L56 P139 S140 V141 H147M44-T143 HydrophobicContact CE-CG2 3.83Å; L56-T143 HydrophobicContact CD1-CG2 3.95Å; P139-T143 VanDerWaalsContact O-CB 3.26Å; P139-T143 WeakPolarHBondContact O-CB 3.37Å; P139-T143 PolarHBondContact O-N 3.28Å; P139-T143 PolarHBondContact O-OG1 3.32Å; S140-T143 PolarHBondContact O-N 3.44Å; V141-T143 VanDerWaalsContact C-N 3.33Å; V141-T143 PolarHBondContact O-N 3.03Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.44Å; T143-H147 PolarHBondContact O-N 2.96Å
144A98.4Very high97.7Very high13 Ų1355.5 Ų55.511%0.10731%0.305CS..Hα-helixtrans-63.6-43.1179.300000112.3L56 S140 V141 V142 A148 T154 F156L56-A144 HydrophobicContact CD1-CB 4.14Å; L56-A144 HydrophobicContact CD2-CB 4.02Å; L56-A144 HydrophobicContact CG-CB 4.48Å; S140-A144 WeakPolarHBondContact O-CB 3.34Å; S140-A144 PolarHBondContact O-N 3.23Å; V141-A144 PolarHBondContact O-N 2.58Å; V142-A144 PolarHBondContact O-N 3.35Å; A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 2.73Å; A144-T154 HydrophobicContact CB-CG2 4.06Å; A144-F156 HydrophobicContact CB-CD2 3.77Å; A144-F156 HydrophobicContact CB-CE2 4.21Å
145D98.1Very high97.7Very high81 Ų8158 Ų5843%0.43331%0.313SS..Hα-helixtrans-65.1-49.4179.4-177.666.9000111.2V141 V142 H147 A148 R149V141-D145 WeakPolarHBondContact O-CB 3.42Å; V141-D145 PolarHBondContact O-N 2.79Å; V142-D145 PolarHBondContact O-N 3.3Å; D145-H147 PolarHBondContact O-N 2.64Å; D145-A148 PolarHBondContact O-N 3.39Å; D145-R149 WeakPolarHBondContact O-CB 3.3Å; D145-R149 PolarHBondContact O-N 3.2Å; D145-R149 IonicContact OD2-CZ 2.56Å; D145-R149 IonicContact OD2-NE 3.67Å; D145-R149 IonicContact OD2-NH2 3.73Å; D145-R149 PolarHBondContact OD2-NH2 3.02Å
146L97.8Very high97.7Very high14 Ų1459.4 Ų59.47%0.07332%0.319CS..Hα-helixtrans-59.7-48.5176.8-71.5173.5000110.8M44 E45 V142 A148 R149 Y150M44-L146 HydrophobicContact CB-CB 4.49Å; M44-L146 HydrophobicContact CB-CD1 3.66Å; M44-L146 HydrophobicContact CE-CB 4.22Å; E45-L146 HydrophobicContact CG-CD1 4.38Å; E45-L146 HydrophobicContact CG-CD2 4.42Å; V142-L146 HydrophobicContact CG1-CD1 3.82Å; V142-L146 HydrophobicContact CG1-CG 4.38Å; V142-L146 WeakPolarHBondContact O-CB 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.09Å; V142-L146 PolarHBondContact O-N 3.48Å; L146-A148 PolarHBondContact O-N 3.17Å; L146-R149 PolarHBondContact O-N 2.81Å; L146-Y150 WeakPolarHBondContact O-CD2 3.26Å; L146-Y150 PolarHBondContact O-N 3.47Å
147H97.9Very high97.7Very high2 Ų259.6 Ų59.61%0.00932%0.32CS..Hα-helixtrans-58.9-48.4178.2-172.7-102.5000112.6F49 Y52 I54 T143 D145 R149 Y150 S152 P153 T154F49-H147 AromaticContact CD2-CD2 3.85Å; F49-H147 AromaticContact CE2-CD2 3.45Å; F49-H147 VanDerWaalsContact CE2-CD2 3.45Å; F49-H147 WeakPolarHBondContact CE2-CD2 3.43Å; F49-H147 AromaticContact CZ-CD2 3.96Å; Y52-H147 PolarHBondContact O-CE1 3.25Å; Y52-H147 PolarHBondContact O-NE2 3.12Å; Y52-H147 VanDerWaalsContact O-NE2 3.12Å; I54-H147 WeakPolarHBondContact CD1-CD2 3.23Å; I54-H147 WeakPolarHBondContact CD1-NE2 3.37Å; I54-H147 VanDerWaalsContact CG1-CE1 3.45Å; I54-H147 WeakPolarHBondContact CG1-CE1 3.46Å; I54-H147 WeakPolarHBondContact CG1-NE2 3.43Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.44Å; T143-H147 PolarHBondContact O-N 2.96Å; D145-H147 PolarHBondContact O-N 2.64Å; H147-R149 VanDerWaalsContact C-N 3.33Å; H147-R149 PolarHBondContact O-N 3.41Å; H147-Y150 PolarHBondContact O-N 2.91Å; H147-S152 WeakPolarHBondContact CE1-CB 2.94Å; H147-S152 VanDerWaalsContact NE2-CB 3.31Å; H147-S152 WeakPolarHBondContact NE2-CB 3.36Å; H147-P153 PolarHBondContact CE1-O 3.16Å; H147-T154 PolarHBondContact ND1-OG1 3.26Å
148A97.3Very high97.7Very high48 Ų4860 Ų6040%0.39733%0.327SS..Hα-helixtrans-66.5-32.7179.600000112.9A144 D145 L146 Y150 G151 T154A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.41Å; A144-A148 PolarHBondContact O-N 2.73Å; D145-A148 PolarHBondContact O-N 3.39Å; L146-A148 PolarHBondContact O-N 3.17Å; A148-Y150 VanDerWaalsContact C-N 3.25Å; A148-Y150 PolarHBondContact O-N 3.22Å; A148-G151 PolarHBondContact O-N 3.43Å; A148-T154 PolarHBondContact N-OG1 2.84Å
149R96.3Very high97.7Very high165 Ų16555.7 Ų55.762%0.62331%0.307SS*.Hα-helixtrans-63.4-30-179.5-171-173.5-62.8-179-1112.7D145 L146 H147 G151D145-R149 WeakPolarHBondContact O-CB 3.3Å; D145-R149 PolarHBondContact O-N 3.2Å; D145-R149 IonicContact OD2-CZ 2.56Å; D145-R149 IonicContact OD2-NE 3.67Å; D145-R149 IonicContact OD2-NH2 3.73Å; D145-R149 PolarHBondContact OD2-NH2 3.02Å; L146-R149 PolarHBondContact O-N 2.81Å; H147-R149 VanDerWaalsContact C-N 3.33Å; H147-R149 PolarHBondContact O-N 3.41Å; R149-G151 VanDerWaalsContact C-N 3.26Å; R149-G151 PolarHBondContact O-N 3.39Å
150Y94.4Very high97.7Very high109 Ų10960.7 Ų60.743%0.42732%0.32SS..THydrogen-bonded Turntrans-84.45.9174-70.7-80.3000114E45 G47 F49 L146 H147 A148E45-Y150 PolarHBondContact O-OH 3.3Å; G47-Y150 PolarHBondContact N-OH 3.3Å; F49-Y150 AromaticContact CE1-CD2 3.91Å; F49-Y150 HydrophobicContact CE1-CD2 3.91Å; F49-Y150 HydrophobicContact CE1-CE2 4.47Å; F49-Y150 AromaticContact CZ-CD2 3.68Å; F49-Y150 HydrophobicContact CZ-CD2 3.68Å; F49-Y150 HydrophobicContact CZ-CG 4.05Å; L146-Y150 WeakPolarHBondContact O-CD2 3.26Å; L146-Y150 PolarHBondContact O-N 3.47Å; H147-Y150 PolarHBondContact O-N 2.91Å; A148-Y150 VanDerWaalsContact C-N 3.25Å; A148-Y150 PolarHBondContact O-N 3.22Å
151G92.7Very high97.7Very high62 Ų6262.7 Ų62.764%0.63933%0.327SS*.THydrogen-bonded Turntrans87.57.917300000114.9A148 R149A148-G151 PolarHBondContact O-N 3.43Å; R149-G151 VanDerWaalsContact C-N 3.26Å; R149-G151 PolarHBondContact O-N 3.39Å
152S96.1Very high97.6Very high8 Ų861.9 Ų61.96%0.05632%0.318CS..  trans-77.5138.3176.6-54.80000111.2N51 H147 T154N51-S152 WeakPolarHBondContact OD1-CA 3.23Å; N51-S152 VanDerWaalsContact OD1-CB 3.25Å; N51-S152 WeakPolarHBondContact OD1-CB 3.41Å; N51-S152 PolarHBondContact OD1-OG 3.29Å; H147-S152 WeakPolarHBondContact CE1-CB 2.94Å; H147-S152 VanDerWaalsContact NE2-CB 3.31Å; H147-S152 WeakPolarHBondContact NE2-CB 3.36Å; S152-T154 PolarHBondContact O-N 2.92Å; S152-T154 PolarHBondContact O-OG1 3.46Å
153P98.1Very high97.3Very high53 Ų5359.6 Ų59.634%0.34431%0.305SS..  trans-60.8123.4175.6-27.939.2000112.3D53 I54 H147D53-P153 HydrophobicContact CB-CB 4.33Å; D53-P153 WeakPolarHBondContact OD1-CB 3.19Å; D53-P153 VanDerWaalsContact OD1-CD 3.23Å; D53-P153 WeakPolarHBondContact OD1-CD 3.46Å; D53-P153 WeakPolarHBondContact OD1-CG 3.33Å; I54-P153 PolarHBondContact N-O 2.85Å; H147-P153 PolarHBondContact CE1-O 3.16Å
154T98.6Very high96.7Very high39 Ų3964.1 Ų64.124%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-128.5126.7-176-50.90000110.5I54 L56 A144 H147 A148 S152I54-T154 CarbonylContact O-C 3.5Å; I54-T154 WeakPolarHBondContact O-CA 3.43Å; L56-T154 HydrophobicContact CD2-CG2 3.73Å; A144-T154 HydrophobicContact CB-CG2 4.06Å; H147-T154 PolarHBondContact ND1-OG1 3.26Å; A148-T154 PolarHBondContact N-OG1 2.84Å; S152-T154 PolarHBondContact O-N 2.92Å; S152-T154 PolarHBondContact O-OG1 3.46Å
155Y98.7Very high96.2Very high107 Ų10765 Ų6542%0.4233%0.327SS..EExtended strand (participates in β ladder)trans-117.5128.2173.4-57.9-93.4000109.8I54 M55 L56 F217 G221I54-Y155 PolarHBondContact O-N 3.26Å; M55-Y155 VanDerWaalsContact CA-O 3.26Å; M55-Y155 WeakPolarHBondContact CA-O 3.36Å; M55-Y155 HydrophobicContact CE-CG 4.35Å; L56-Y155 PolarHBondContact N-O 3.33Å; Y155-F217 AromaticContact CD2-CD2 3.98Å; Y155-F217 HydrophobicContact CD2-CD2 3.98Å; Y155-F217 AromaticContact CD2-CE2 3.71Å; Y155-F217 HydrophobicContact CD2-CE2 3.71Å; Y155-F217 HydrophobicContact CE2-CD2 4.01Å; Y155-F217 AromaticContact CE2-CE2 3.88Å; Y155-F217 HydrophobicContact CE2-CE2 3.88Å; Y155-G221 WeakPolarHBondContact CE2-O 3.46Å; Y155-G221 VanDerWaalsContact CZ-O 3.26Å; Y155-G221 PolarHBondContact OH-O 2.94Å
156F98.8Very high95.5Very high89 Ų8970 Ų7039%0.3935%0.353SS..EExtended strand (participates in β ladder)trans-114.2135.7179.9-160.6-84.9000110.8L56 I58 V141 A144L56-F156 HydrophobicContact CD1-CD2 4.35Å; L56-F156 HydrophobicContact CD1-CE2 4.24Å; L56-F156 HydrophobicContact CD2-CD2 4.18Å; L56-F156 HydrophobicContact CG-CD2 3.84Å; L56-F156 HydrophobicContact CG-CE2 4.1Å; L56-F156 CarbonylContact O-C 3.39Å; L56-F156 VanDerWaalsContact O-CA 3.28Å; L56-F156 WeakPolarHBondContact O-CA 3.39Å; I58-F156 HydrophobicContact CG1-CE1 4.35Å; I58-F156 HydrophobicContact CG1-CZ 4.42Å; V141-F156 HydrophobicContact CG2-CE2 4.39Å; V141-F156 HydrophobicContact CG2-CZ 4.12Å; A144-F156 HydrophobicContact CB-CD2 3.77Å; A144-F156 HydrophobicContact CB-CE2 4.21Å
157Y98.8Very high94.9Very high63 Ų6376.8 Ų76.825%0.24739%0.387CS..EExtended strand (participates in β ladder)trans-124.8156.5171.974.4-92.6000112.1M55 L56 G57 I58 F159 W214M55-Y157 HydrophobicContact CG-CD1 4.32Å; L56-Y157 WeakPolarHBondContact O-CD1 3.47Å; L56-Y157 PolarHBondContact O-N 2.68Å; G57-Y157 WeakPolarHBondContact CA-O 3.29Å; I58-Y157 PolarHBondContact N-O 2.93Å; Y157-F159 HydrophobicContact CD2-CB 4.22Å; Y157-F159 HydrophobicContact CE2-CB 4.14Å; Y157-W214 HydrophobicContact CD1-CH2 4.13Å; Y157-W214 HydrophobicContact CD1-CZ2 4.17Å; Y157-W214 AromaticContact CE1-CH2 3.64Å; Y157-W214 HydrophobicContact CE1-CH2 3.64Å; Y157-W214 AromaticContact CE1-CZ2 3.58Å; Y157-W214 HydrophobicContact CE1-CZ2 3.58Å
158A98.8Very high94.4Very high46 Ų4679 Ų7938%0.3840%0.396SS..EExtended strand (participates in β ladder)trans-130.2127.5165.900000108.3I58 Y160I58-A158 HydrophobicContact CD1-CB 3.82Å; I58-A158 HydrophobicContact CG1-CB 4.32Å; I58-A158 CarbonylContact O-C 3.56Å; I58-A158 VanDerWaalsContact O-CA 3.3Å; I58-A158 WeakPolarHBondContact O-CA 3.39Å; A158-Y160 HydrophobicContact CB-CD2 4.21Å; A158-Y160 HydrophobicContact CB-CE2 3.46Å; A158-Y160 VanDerWaalsContact CB-CE2 3.46Å; A158-Y160 WeakPolarHBondContact O-CD2 3.38Å
159F98.8Very high94.2Very high19 Ų1979.1 Ų79.18%0.08339%0.393CS..EExtended strand (participates in β ladder)trans-102.1114.5-169.7-159.7-103000110.6I58 N59 Q60 Y157 H161 A174 E179 Y182 L206 V210I58-F159 PolarHBondContact O-N 3.49Å; N59-F159 WeakPolarHBondContact CA-O 3.31Å; N59-F159 VanDerWaalsContact OD1-CB 3.3Å; N59-F159 WeakPolarHBondContact OD1-CB 3.43Å; Q60-F159 PolarHBondContact N-O 3.47Å; Y157-F159 HydrophobicContact CD2-CB 4.22Å; Y157-F159 HydrophobicContact CE2-CB 4.14Å; F159-H161 WeakPolarHBondContact CD1-O 3.34Å; F159-H161 HydrophobicContact CE1-CB 4.41Å; F159-H161 WeakPolarHBondContact CE1-O 3.47Å; F159-A174 HydrophobicContact CD1-CB 4.44Å; F159-A174 WeakPolarHBondContact O-CB 3.39Å; F159-E179 HydrophobicContact CD1-CB 3.79Å; F159-E179 HydrophobicContact CD2-CB 4.23Å; F159-E179 HydrophobicContact CE1-CB 3.88Å; F159-E179 HydrophobicContact CE2-CB 4.34Å; F159-E179 HydrophobicContact CG-CB 3.98Å; F159-E179 HydrophobicContact CZ-CB 4.18Å; F159-Y182 AromaticContact CE1-CD2 3.87Å; F159-Y182 HydrophobicContact CE1-CD2 3.87Å; F159-Y182 HydrophobicContact CE1-CE2 4.07Å; F159-Y182 AromaticContact CZ-CD2 3.56Å; F159-Y182 HydrophobicContact CZ-CD2 3.56Å; F159-Y182 HydrophobicContact CZ-CE2 4.08Å; F159-Y182 AromaticContact CZ-CG 3.86Å; F159-Y182 HydrophobicContact CZ-CG 3.86Å; F159-L206 HydrophobicContact CE2-CD2 4.28Å; F159-L206 HydrophobicContact CZ-CD2 3.9Å; F159-V210 HydrophobicContact CE2-CG2 3.97Å
160Y98.5Very high94Very high154 Ų15476.6 Ų76.660%0.60441%0.407SS*.  trans-113.825.1-171.9-72.9-103000112.7Q60 A158Q60-Y160 HydrophobicContact CB-CD1 3.81Å; Q60-Y160 HydrophobicContact CB-CE1 3.99Å; Q60-Y160 HydrophobicContact CB-CG 4.2Å; Q60-Y160 HydrophobicContact CG-CD1 3.61Å; Q60-Y160 HydrophobicContact CG-CE1 3.6Å; Q60-Y160 HydrophobicContact CG-CG 4.49Å; Q60-Y160 VanDerWaalsContact OE1-CD1 3.24Å; A158-Y160 HydrophobicContact CB-CD2 4.21Å; A158-Y160 HydrophobicContact CB-CE2 3.46Å; A158-Y160 VanDerWaalsContact CB-CE2 3.46Å; A158-Y160 WeakPolarHBondContact O-CD2 3.38Å
161H98Very high94Very high65 Ų6573.7 Ų73.730%0.30140%0.395SS..  trans-135.2146.9-177.2-173.584000110.6F159 A174 Y182 D203 L206F159-H161 WeakPolarHBondContact CD1-O 3.34Å; F159-H161 HydrophobicContact CE1-CB 4.41Å; F159-H161 WeakPolarHBondContact CE1-O 3.47Å; H161-A174 WeakPolarHBondContact O-CB 3.42Å; H161-Y182 AromaticContact CD2-CE1 3.78Å; H161-Y182 AromaticContact CD2-CZ 3.49Å; H161-Y182 VanDerWaalsContact CD2-CZ 3.49Å; H161-Y182 PolarHBondContact CD2-OH 3.04Å; H161-Y182 AromaticContact NE2-CZ 3.91Å; H161-Y182 PolarHBondContact NE2-OH 3Å; H161-D203 IonicContact CD2-OD1 3.14Å; H161-D203 IonicContact CE1-OD1 2.94Å; H161-D203 IonicContact NE2-OD1 2.64Å; H161-D203 PolarHBondContact NE2-OD1 2.72Å; H161-L206 HydrophobicContact CB-CD2 3.56Å; H161-L206 WeakPolarHBondContact CD2-CD2 3.38Å; H161-L206 VanDerWaalsContact CG-CD2 3.42Å
162H96.3Very high94.1Very high53 Ų5371 Ų7125%0.24537%0.367CS..  trans-151161.7171.168.389.1000109.9S172 A174 D178 Y182H162-S172 PolarHBondContact NE2-O 3.29Å; H162-S172 VanDerWaalsContact NE2-O 3.09Å; H162-A174 HydrophobicContact CB-CB 4.31Å; H162-D178 HydrophobicContact CB-CB 3.99Å; H162-D178 WeakPolarHBondContact CB-OD2 3.39Å; H162-D178 IonicContact CG-OD2 2.69Å; H162-Y182 VanDerWaalsContact C-OH 3.23Å
163C93.3Very high94.1Very high7 Ų773.9 Ų73.95%0.04738%0.381CS..  trans-79.1156177.450.20000111.2S165 Y182 C197 F199C163-S165 PolarHBondContact O-N 2.99Å; C163-Y182 PolarHBondContact N-OH 3.22Å; C163-C197 HydrophobicContact CB-CB 3.53Å; C163-C197 WeakPolarHBondContact CB-SG 3.48Å; C163-C197 WeakPolarHBondContact SG-CB 3.38Å; C163-C197 CovalentContact SG-SG 2.03Å; C163-C197 PolarHBondContact SG-SG 2.86Å; C163-F199 HydrophobicContact CB-CD1 3.8Å; C163-F199 HydrophobicContact CB-CE1 3.63Å
164Q85.1Confident94.1Very high150 Ų15071.3 Ų71.370%0.70137%0.365SS*.BIsolated β-bridgetrans-73126.1171.2-68.7-174.9-1000110.2N198Q164-N198 PolarHBondContact O-N 2.72Å; Q164-N198 VanDerWaalsContact O-N 3.15Å
165S87.8Confident94.1Very high31 Ų3169.8 Ų69.822%0.21736%0.356CS..  trans-138.7137.2177.8177.80000110.5C163 M167 K168C163-S165 PolarHBondContact O-N 2.99Å; S165-M167 PolarHBondContact O-N 3.37Å; S165-M167 PolarHBondContact OG-N 3.4Å; S165-K168 PolarHBondContact O-N 3.49Å
166L83.8Confident94.1Very high186 Ų18670.7 Ų70.797%0.97436%0.364SS*.THydrogen-bonded Turntrans-69.1-14.2173.4-66.4175.9000112.8K168L166-K168 VanDerWaalsContact C-N 3.29Å
167M84.4Confident94Very high157 Ų15767.6 Ų67.677%0.77336%0.357SS*.THydrogen-bonded Turntrans-86-2.9177.6-60.7-17667.200112.9S165S165-M167 PolarHBondContact O-N 3.37Å; S165-M167 PolarHBondContact OG-N 3.4Å
168K88.3Confident93.9Very high49 Ų4965.6 Ų65.621%0.21335%0.351CS..SBendtrans-113.7142.6179.8-78.1-166.1154.2-167.70111.6S165 L166 D178S165-K168 PolarHBondContact O-N 3.49Å; L166-K168 VanDerWaalsContact C-N 3.29Å; K168-D178 IonicContact NZ-OD1 2.91Å; K168-D178 PolarHBondContact NZ-OD1 3.48Å; K168-D178 IonicContact NZ-OD2 2.6Å; K168-D178 PolarHBondContact NZ-OD2 3.39Å
169P92.5Very high93.9Very high49 Ų4965.2 Ų65.232%0.31834%0.341SS..  trans-58.8139.7170.9-18.830.9000110.7W171 S172P169-W171 HydrophobicContact CB-CD2 3.81Å; P169-W171 HydrophobicContact CB-CG 4Å; P169-W171 HydrophobicContact CB-CZ2 3.79Å; P169-W171 VanDerWaalsContact CB-NE1 3.27Å; P169-W171 HydrophobicContact CG-CH2 4.44Å; P169-W171 HydrophobicContact CG-CZ2 3.82Å; P169-W171 PolarHBondContact O-N 3.29Å; P169-S172 PolarHBondContact O-N 2.96Å; P169-S172 VanDerWaalsContact O-N 3.11Å; P169-S172 PolarHBondContact O-OG 3.15Å
170A92.1Very high93.9Very high112 Ų11266.3 Ų66.393%0.92635%0.349SS*.THydrogen-bonded Turntrans-62-20.9-177.700000113.4
171W93.8Very high93.9Very high49 Ų4959.2 Ų59.219%0.18632%0.322CS..THydrogen-bonded Turntrans-90.2-9.8-178.560.1-109.5000114.6L64 V67 V71 D75 R124 P169L64-W171 HydrophobicContact CD1-CE3 4.48Å; L64-W171 HydrophobicContact CD1-CH2 3.34Å; L64-W171 HydrophobicContact CD1-CZ2 4.33Å; L64-W171 HydrophobicContact CD1-CZ3 3.44Å; L64-W171 VanDerWaalsContact CD1-CZ3 3.44Å; V67-W171 HydrophobicContact CG2-CH2 3.84Å; V71-W171 HydrophobicContact CG1-CZ2 4.42Å; V71-W171 HydrophobicContact CG2-CZ2 4.28Å; D75-W171 HydrophobicContact CB-CG 4.43Å; D75-W171 PolarHBondContact OD1-NE1 3.05Å; R124-W171 VanDerWaalsContact NH2-CE3 3.31Å; P169-W171 HydrophobicContact CB-CD2 3.81Å; P169-W171 HydrophobicContact CB-CG 4Å; P169-W171 HydrophobicContact CB-CZ2 3.79Å; P169-W171 VanDerWaalsContact CB-NE1 3.27Å; P169-W171 HydrophobicContact CG-CH2 4.44Å; P169-W171 HydrophobicContact CG-CZ2 3.82Å; P169-W171 PolarHBondContact O-N 3.29Å
172S95.2Very high93.9Very high5 Ų556.1 Ų56.14%0.03531%0.308CS..  trans-72.6138.7-174.867.40000110.9H162 P169H162-S172 PolarHBondContact NE2-O 3.29Å; H162-S172 VanDerWaalsContact NE2-O 3.09Å; P169-S172 PolarHBondContact O-N 2.96Å; P169-S172 VanDerWaalsContact O-N 3.11Å; P169-S172 PolarHBondContact O-OG 3.15Å
173D97.3Very high94Very high68 Ų6855.7 Ų55.736%0.36431%0.309SS..  trans-77.7-170.4166-64.5-56.2000111.2Q60 A175Q60-D173 HydrophobicContact CB-CB 4.2Å; Q60-D173 HydrophobicContact CG-CB 3.89Å; Q60-D173 PolarHBondContact NE2-OD1 2.93Å; Q60-D173 PolarHBondContact NE2-OD2 3.45Å; D173-A175 PolarHBondContact O-N 3.32Å; D173-A175 VanDerWaalsContact O-N 3.11Å
174A98Very high94.3Very high0 Ų062.3 Ų62.30%034%0.337CS..SBendtrans-63110.5174.100000110.9N59 Q60 G61 F159 H161 H162 D178N59-A174 HydrophobicContact CB-CB 4.31Å; N59-A174 WeakPolarHBondContact CB-O 3.13Å; Q60-A174 HydrophobicContact CB-CB 4.45Å; Q60-A174 PolarHBondContact N-O 2.95Å; G61-A174 CarbonylContact C-O 3.07Å; G61-A174 WeakPolarHBondContact CA-O 3.42Å; G61-A174 PolarHBondContact N-O 3.18Å; F159-A174 HydrophobicContact CD1-CB 4.44Å; F159-A174 WeakPolarHBondContact O-CB 3.39Å; H161-A174 WeakPolarHBondContact O-CB 3.42Å; H162-A174 HydrophobicContact CB-CB 4.31Å; A174-D178 WeakPolarHBondContact CA-OD2 3.4Å; A174-D178 HydrophobicContact CB-CB 4.45Å
175A97.9Very high94.9Very high6 Ų655.6 Ų55.65%0.0531%0.308CS..  trans-95.3178.3-177.200000112.4N59 G61 L64 D173 G177 D178N59-A175 PolarHBondContact ND2-O 3.47Å; G61-A175 WeakPolarHBondContact O-CA 3.28Å; L64-A175 HydrophobicContact CB-CB 3.7Å; L64-A175 HydrophobicContact CD2-CB 3.64Å; L64-A175 HydrophobicContact CG-CB 4.31Å; D173-A175 PolarHBondContact O-N 3.32Å; D173-A175 VanDerWaalsContact O-N 3.11Å; A175-G177 PolarHBondContact O-N 3.19Å; A175-D178 PolarHBondContact N-OD2 3.38Å; A175-D178 VanDerWaalsContact O-CB 3.32Å; A175-D178 WeakPolarHBondContact O-CB 3.34Å; A175-D178 PolarHBondContact O-N 2.94Å
176H98.3Very high95.4Very high126 Ų12655.2 Ų55.258%0.58330%0.303SS*.THydrogen-bonded Turntrans-54.3122.6-178.9-167.163000113.2E62 W136E62-H176 WeakPolarHBondContact OE2-CA 3.42Å; E62-H176 VanDerWaalsContact OE2-CB 3.26Å; E62-H176 WeakPolarHBondContact OE2-CB 3.29Å; E62-H176 IonicContact OE2-CE1 3.84Å; E62-H176 IonicContact OE2-CG 2.69Å; E62-H176 IonicContact OE2-ND1 2.76Å; E62-H176 PolarHBondContact OE2-ND1 3.28Å; W136-H176 AromaticContact CE2-ND1 3.96Å; W136-H176 AromaticContact NE1-CE1 3.62Å; W136-H176 AromaticContact NE1-ND1 3.42Å; W136-H176 PolarHBondContact NE1-ND1 3.34Å
177G97.1Very high96.1Very high25 Ų2546.5 Ų46.526%0.25826%0.257SS..THydrogen-bonded Turntrans84.73-179.800000116A175 E179 V180A175-G177 PolarHBondContact O-N 3.19Å; G177-E179 VanDerWaalsContact CA-OE2 3.22Å; G177-E179 WeakPolarHBondContact CA-OE2 3.27Å; G177-E179 PolarHBondContact N-OE2 2.95Å; G177-E179 PolarHBondContact O-N 3.2Å; G177-V180 VanDerWaalsContact O-CB 3.31Å; G177-V180 WeakPolarHBondContact O-CB 3.29Å; G177-V180 WeakPolarHBondContact O-CG2 3.39Å; G177-V180 PolarHBondContact O-N 3.09Å
178D97.8Very high96.7Very high20 Ų2043.5 Ų43.511%0.10724%0.243CC..THydrogen-bonded Turntrans-68.5-20179.8-84.3-12.7000114.8H162 K168 A174 A175 V180 P181 Y182H162-D178 HydrophobicContact CB-CB 3.99Å; H162-D178 WeakPolarHBondContact CB-OD2 3.39Å; H162-D178 IonicContact CG-OD2 2.69Å; K168-D178 IonicContact NZ-OD1 2.91Å; K168-D178 PolarHBondContact NZ-OD1 3.48Å; K168-D178 IonicContact NZ-OD2 2.6Å; K168-D178 PolarHBondContact NZ-OD2 3.39Å; A174-D178 WeakPolarHBondContact CA-OD2 3.4Å; A174-D178 HydrophobicContact CB-CB 4.45Å; A175-D178 PolarHBondContact N-OD2 3.38Å; A175-D178 VanDerWaalsContact O-CB 3.32Å; A175-D178 WeakPolarHBondContact O-CB 3.34Å; A175-D178 PolarHBondContact O-N 2.94Å; D178-V180 VanDerWaalsContact C-N 3.33Å; D178-P181 WeakPolarHBondContact O-CD 3.33Å; D178-Y182 WeakPolarHBondContact O-CD2 3.32Å; D178-Y182 WeakPolarHBondContact O-CE2 3.3Å
179E98.6Very high97.2Very high39 Ų3947.3 Ų47.318%0.18226%0.264CS..THydrogen-bonded Turntrans-73.3-28.4175.381.7-63.3165.300111.7N59 F159 G177 Y182 V183N59-E179 PolarHBondContact ND2-OE2 3.41Å; F159-E179 HydrophobicContact CD1-CB 3.79Å; F159-E179 HydrophobicContact CD2-CB 4.23Å; F159-E179 HydrophobicContact CE1-CB 3.88Å; F159-E179 HydrophobicContact CE2-CB 4.34Å; F159-E179 HydrophobicContact CG-CB 3.98Å; F159-E179 HydrophobicContact CZ-CB 4.18Å; G177-E179 VanDerWaalsContact CA-OE2 3.22Å; G177-E179 WeakPolarHBondContact CA-OE2 3.27Å; G177-E179 PolarHBondContact N-OE2 2.95Å; G177-E179 PolarHBondContact O-N 3.2Å; E179-Y182 WeakPolarHBondContact O-CA 3.37Å; E179-Y182 WeakPolarHBondContact O-CB 3.47Å; E179-Y182 PolarHBondContact O-N 3.47Å; E179-V183 HydrophobicContact CG-CG2 4.36Å; E179-V183 WeakPolarHBondContact O-CG2 3.49Å; E179-V183 PolarHBondContact O-N 2.84Å; E179-V183 VanDerWaalsContact O-N 3.08Å
180V98.4Very high97.3Very high41 Ų4145.8 Ų45.825%0.24826%0.257CS..Hα-helixtrans-52-50.4-173.21750000113.1G177 D178 Y182 V183 F184 F195G177-V180 VanDerWaalsContact O-CB 3.31Å; G177-V180 WeakPolarHBondContact O-CB 3.29Å; G177-V180 WeakPolarHBondContact O-CG2 3.39Å; G177-V180 PolarHBondContact O-N 3.09Å; D178-V180 VanDerWaalsContact C-N 3.33Å; V180-Y182 PolarHBondContact O-N 3.13Å; V180-Y182 VanDerWaalsContact O-N 3.16Å; V180-V183 PolarHBondContact O-N 3.31Å; V180-F184 HydrophobicContact CG1-CD2 3.66Å; V180-F184 HydrophobicContact CG1-CE2 3.84Å; V180-F184 VanDerWaalsContact O-CD2 3.27Å; V180-F184 WeakPolarHBondContact O-CD2 3.36Å; V180-F184 PolarHBondContact O-N 3.27Å; V180-F184 VanDerWaalsContact O-N 3.11Å; V180-F195 HydrophobicContact CG1-CZ 3.97Å
181P98.1Very high97.4Very high6 Ų644.7 Ų44.74%0.03924%0.241CC..Hα-helixtrans-57.3-33.6178.6-22.133.1000113.2D178 G185 I186 P187 F195 F199D178-P181 WeakPolarHBondContact O-CD 3.33Å; P181-G185 PolarHBondContact O-N 2.82Å; P181-I186 HydrophobicContact CB-CB 4.06Å; P181-I186 HydrophobicContact CB-CG1 4.23Å; P181-I186 WeakPolarHBondContact O-CB 3.24Å; P181-I186 PolarHBondContact O-N 3.21Å; P181-P187 WeakPolarHBondContact O-CD 3.18Å; P181-F195 HydrophobicContact CB-CD1 4.43Å; P181-F195 HydrophobicContact CG-CD1 3.64Å; P181-F195 HydrophobicContact CG-CE1 3.76Å; P181-F195 HydrophobicContact CG-CG 4.21Å; P181-F195 HydrophobicContact CG-CZ 4.42Å; P181-F199 HydrophobicContact CB-CE1 4.23Å; P181-F199 HydrophobicContact CB-CZ 4.03Å
182Y98.7Very high97.5Very high0 Ų044.4 Ų44.40%025%0.245CC..Hα-helixtrans-76.7-38.5-178.9-57.6-88.3000111.9F159 H161 H162 C163 D178 E179 V180 F184 G185 P187 D203 L206 S207F159-Y182 AromaticContact CE1-CD2 3.87Å; F159-Y182 HydrophobicContact CE1-CD2 3.87Å; F159-Y182 HydrophobicContact CE1-CE2 4.07Å; F159-Y182 AromaticContact CZ-CD2 3.56Å; F159-Y182 HydrophobicContact CZ-CD2 3.56Å; F159-Y182 HydrophobicContact CZ-CE2 4.08Å; F159-Y182 AromaticContact CZ-CG 3.86Å; F159-Y182 HydrophobicContact CZ-CG 3.86Å; H161-Y182 AromaticContact CD2-CE1 3.78Å; H161-Y182 AromaticContact CD2-CZ 3.49Å; H161-Y182 VanDerWaalsContact CD2-CZ 3.49Å; H161-Y182 PolarHBondContact CD2-OH 3.04Å; H161-Y182 AromaticContact NE2-CZ 3.91Å; H161-Y182 PolarHBondContact NE2-OH 3Å; H162-Y182 VanDerWaalsContact C-OH 3.23Å; C163-Y182 PolarHBondContact N-OH 3.22Å; D178-Y182 WeakPolarHBondContact O-CD2 3.32Å; D178-Y182 WeakPolarHBondContact O-CE2 3.3Å; E179-Y182 WeakPolarHBondContact O-CA 3.37Å; E179-Y182 WeakPolarHBondContact O-CB 3.47Å; E179-Y182 PolarHBondContact O-N 3.47Å; V180-Y182 PolarHBondContact O-N 3.13Å; V180-Y182 VanDerWaalsContact O-N 3.16Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 3Å; Y182-G185 PolarHBondContact O-N 2.78Å; Y182-P187 HydrophobicContact CD1-CG 4.09Å; Y182-P187 HydrophobicContact CE1-CG 4.17Å; Y182-D203 HydrophobicContact CE1-CB 3.91Å; Y182-D203 PolarHBondContact OH-OD1 2.73Å; Y182-L206 HydrophobicContact CD1-CB 4.18Å; Y182-L206 HydrophobicContact CD1-CD2 3.89Å; Y182-L206 HydrophobicContact CD1-CG 3.99Å; Y182-L206 HydrophobicContact CE1-CB 4.41Å; Y182-L206 HydrophobicContact CE1-CD2 3.88Å; Y182-L206 HydrophobicContact CE1-CG 4.38Å; Y182-L206 HydrophobicContact CG-CD2 4.47Å; Y182-S207 PolarHBondContact O-OG 3.18Å
183V98.7Very high97.4Very high43 Ų4352.5 Ų52.526%0.26129%0.287SS..Hα-helixtrans-58.9-40.6172.7-179.50000111E179 V180 V210 M211E179-V183 HydrophobicContact CG-CG2 4.36Å; E179-V183 WeakPolarHBondContact O-CG2 3.49Å; E179-V183 PolarHBondContact O-N 2.84Å; E179-V183 VanDerWaalsContact O-N 3.08Å; V180-V183 PolarHBondContact O-N 3.31Å; V183-V210 HydrophobicContact CG2-CG1 3.98Å; V183-M211 VanDerWaalsContact O-CG 3.28Å; V183-M211 WeakPolarHBondContact O-CG 3.43Å
184F98.5Very high97.2Very high147 Ų14755.8 Ų55.865%0.64530%0.304SS*.THydrogen-bonded Turntrans-93.56.6-175.1-71.9-70.9000115.1V180 Y182 I186V180-F184 HydrophobicContact CG1-CD2 3.66Å; V180-F184 HydrophobicContact CG1-CE2 3.84Å; V180-F184 VanDerWaalsContact O-CD2 3.27Å; V180-F184 WeakPolarHBondContact O-CD2 3.36Å; V180-F184 PolarHBondContact O-N 3.27Å; V180-F184 VanDerWaalsContact O-N 3.11Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 3Å; F184-I186 VanDerWaalsContact C-N 3.25Å; F184-I186 HydrophobicContact CB-CD1 4.27Å; F184-I186 HydrophobicContact CB-CG1 4.18Å; F184-I186 PolarHBondContact O-N 3.36Å
185G98.4Very high97Very high8 Ų858.1 Ų58.18%0.08232%0.315CS..THydrogen-bonded Turntrans73.613.1176.300000114.8P181 Y182 P187 M188 S207P181-G185 PolarHBondContact O-N 2.82Å; Y182-G185 PolarHBondContact O-N 2.78Å; G185-P187 VanDerWaalsContact C-CD 3.47Å; G185-P187 VanDerWaalsContact C-N 3.35Å; G185-M188 VanDerWaalsContact O-CB 3.31Å; G185-M188 WeakPolarHBondContact O-CB 3.32Å; G185-M188 PolarHBondContact O-N 2.98Å; G185-S207 VanDerWaalsContact CA-OG 3.26Å; G185-S207 WeakPolarHBondContact CA-OG 3.48Å
186I98.2Very high96.7Very high23 Ų2361.4 Ų61.412%0.11834%0.335CS..Hα-helixtrans-56.9-40.8-175.4-54.2-60.1000112.5P181 F184 M188 I189 G190 T192 F195 F199P181-I186 HydrophobicContact CB-CB 4.06Å; P181-I186 HydrophobicContact CB-CG1 4.23Å; P181-I186 WeakPolarHBondContact O-CB 3.24Å; P181-I186 PolarHBondContact O-N 3.21Å; F184-I186 VanDerWaalsContact C-N 3.25Å; F184-I186 HydrophobicContact CB-CD1 4.27Å; F184-I186 HydrophobicContact CB-CG1 4.18Å; F184-I186 PolarHBondContact O-N 3.36Å; I186-M188 PolarHBondContact O-N 3.47Å; I186-I189 HydrophobicContact CD1-CD1 4.4Å; I186-I189 WeakPolarHBondContact O-CG1 3.46Å; I186-I189 PolarHBondContact O-N 3.44Å; I186-G190 PolarHBondContact O-N 2.59Å; I186-T192 HydrophobicContact CG2-CG2 4.19Å; I186-F195 HydrophobicContact CD1-CD2 4.24Å; I186-F195 HydrophobicContact CD1-CE2 4.41Å; I186-F195 HydrophobicContact CG1-CD2 3.91Å; I186-F195 HydrophobicContact CG1-CE2 4.14Å; I186-F195 HydrophobicContact CG2-CB 4.05Å; I186-F195 HydrophobicContact CG2-CD2 4.12Å; I186-F195 HydrophobicContact CG2-CG 4.4Å; I186-F199 HydrophobicContact CB-CZ 4.44Å; I186-F199 HydrophobicContact CG2-CE2 3.7Å; I186-F199 HydrophobicContact CG2-CZ 3.96Å
187P98.1Very high96.3Very high3 Ų356 Ų562%0.01931%0.312CS..Hα-helixtrans-53.4-27.2175.4-30.337.7000114.7P181 Y182 G185 F199 D203 I204P181-P187 WeakPolarHBondContact O-CD 3.18Å; Y182-P187 HydrophobicContact CD1-CG 4.09Å; Y182-P187 HydrophobicContact CE1-CG 4.17Å; G185-P187 VanDerWaalsContact C-CD 3.47Å; G185-P187 VanDerWaalsContact C-N 3.35Å; P187-F199 HydrophobicContact CB-CB 4.11Å; P187-F199 HydrophobicContact CB-CD1 4.01Å; P187-F199 HydrophobicContact CB-CG 3.97Å; P187-F199 HydrophobicContact CG-CD1 3.65Å; P187-F199 HydrophobicContact CG-CE1 3.8Å; P187-F199 HydrophobicContact CG-CG 4.09Å; P187-F199 HydrophobicContact CG-CZ 4.37Å; P187-D203 HydrophobicContact CB-CB 4.02Å; P187-D203 HydrophobicContact CG-CB 4.16Å; P187-I204 HydrophobicContact CB-CG1 4.13Å; P187-I204 WeakPolarHBondContact O-CG1 3.32Å
188M97.9Very high96.1Very high95 Ų9560.5 Ų60.547%0.46833%0.33SS..Hα-helixtrans-74-26.2-179-56.3-170.6173.600113.8G185 I186 I204 A208 M211G185-M188 VanDerWaalsContact O-CB 3.31Å; G185-M188 WeakPolarHBondContact O-CB 3.32Å; G185-M188 PolarHBondContact O-N 2.98Å; I186-M188 PolarHBondContact O-N 3.47Å; M188-I204 HydrophobicContact CG-CG2 4.42Å; M188-A208 HydrophobicContact CE-CB 3.64Å; M188-M211 HydrophobicContact CE-CE 3.11Å; M188-M211 HydrophobicContact SD-CE 3.56Å; M188-M211 VanDerWaalsContact SD-CE 3.56Å
189I97.2Very high96Very high129 Ų12960.6 Ų60.666%0.66233%0.329SS*.Hα-helixtrans-99.4-9.5177.561.4168.8000112.6I186 T192I186-I189 HydrophobicContact CD1-CD1 4.4Å; I186-I189 WeakPolarHBondContact O-CG1 3.46Å; I186-I189 PolarHBondContact O-N 3.44Å; I189-T192 HydrophobicContact CD1-CG2 3.92Å; I189-T192 HydrophobicContact CG1-CG2 4.43Å
190G95.1Very high95.9Very high17 Ų1761.3 Ų61.318%0.17534%0.338CS..  trans87.6-172.8-178.700000113.5I186I186-G190 PolarHBondContact O-N 2.59Å
191P94.5Very high95.8Very high88 Ų8868 Ų6857%0.57136%0.364SS*.  trans-59.2141.1-179-16.726.8000111.9C197P191-C197 WeakPolarHBondContact CB-O 3.28Å; P191-C197 VanDerWaalsContact CG-O 3.29Å; P191-C197 WeakPolarHBondContact CG-O 3.47Å
192T94.8Very high95.8Very high44 Ų4472.7 Ų72.727%0.2739%0.389SS..  trans-124.9169.4176.468.50000110.8I186 I189 L194 F195 P196I186-T192 HydrophobicContact CG2-CG2 4.19Å; I189-T192 HydrophobicContact CD1-CG2 3.92Å; I189-T192 HydrophobicContact CG1-CG2 4.43Å; T192-L194 PolarHBondContact O-N 3.47Å; T192-F195 PolarHBondContact N-O 3.11Å; T192-F195 CarbonylContact O-C 3.56Å; T192-F195 PolarHBondContact O-N 2.9Å; T192-F195 PolarHBondContact OG1-N 2.9Å; T192-P196 WeakPolarHBondContact O-CA 3.43Å; T192-P196 VanDerWaalsContact O-N 3.14Å
193D93.3Very high95.8Very high174 Ų17473 Ų7393%0.9339%0.39SS*.SBendtrans-59.6-34.9175.5-65.9-23.2000112.2
194L94.1Very high95.8Very high138 Ų13874.4 Ų74.472%0.72340%0.396SS*.SBendtrans-80.8-34.6178.9-174.761.3000112.4T192 P196T192-L194 PolarHBondContact O-N 3.47Å; L194-P196 VanDerWaalsContact C-CD 3.46Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å
195F94.1Very high95.8Very high49 Ų4973.1 Ų73.122%0.21539%0.393CS..  trans-123.177.8178.8-60.3-70.2000110V180 P181 I186 T192 C197 F199V180-F195 HydrophobicContact CG1-CZ 3.97Å; P181-F195 HydrophobicContact CB-CD1 4.43Å; P181-F195 HydrophobicContact CG-CD1 3.64Å; P181-F195 HydrophobicContact CG-CE1 3.76Å; P181-F195 HydrophobicContact CG-CG 4.21Å; P181-F195 HydrophobicContact CG-CZ 4.42Å; I186-F195 HydrophobicContact CD1-CD2 4.24Å; I186-F195 HydrophobicContact CD1-CE2 4.41Å; I186-F195 HydrophobicContact CG1-CD2 3.91Å; I186-F195 HydrophobicContact CG1-CE2 4.14Å; I186-F195 HydrophobicContact CG2-CB 4.05Å; I186-F195 HydrophobicContact CG2-CD2 4.12Å; I186-F195 HydrophobicContact CG2-CG 4.4Å; T192-F195 PolarHBondContact N-O 3.11Å; T192-F195 CarbonylContact O-C 3.56Å; T192-F195 PolarHBondContact O-N 2.9Å; T192-F195 PolarHBondContact OG1-N 2.9Å; F195-C197 PolarHBondContact O-N 3.41Å; F195-F199 HydrophobicContact CB-CZ 4.42Å
196P91.5Very high95.8Very high75 Ų7574.7 Ų74.749%0.48740%0.4SS..  trans-7947-178.734.6-37.8000111.4T192 L194T192-P196 WeakPolarHBondContact O-CA 3.43Å; T192-P196 VanDerWaalsContact O-N 3.14Å; L194-P196 VanDerWaalsContact C-CD 3.46Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å
197C90.5Very high95.8Very high13 Ų1373.6 Ų73.69%0.08839%0.394CS..  trans-92.9141.4179.2-101.30000111C163 P191 F195 F199C163-C197 HydrophobicContact CB-CB 3.53Å; C163-C197 WeakPolarHBondContact CB-SG 3.48Å; C163-C197 WeakPolarHBondContact SG-CB 3.38Å; C163-C197 CovalentContact SG-SG 2.03Å; C163-C197 PolarHBondContact SG-SG 2.86Å; P191-C197 WeakPolarHBondContact CB-O 3.28Å; P191-C197 VanDerWaalsContact CG-O 3.29Å; P191-C197 WeakPolarHBondContact CG-O 3.47Å; F195-C197 PolarHBondContact O-N 3.41Å; C197-F199 HydrophobicContact CB-CD1 4.21Å; C197-F199 HydrophobicContact CB-CD2 4.4Å; C197-F199 HydrophobicContact CB-CE1 3.71Å; C197-F199 HydrophobicContact CB-CE2 3.89Å; C197-F199 HydrophobicContact CB-CZ 3.53Å; C197-F199 WeakPolarHBondContact O-CD2 3.46Å; C197-F199 PolarHBondContact O-N 3.18Å; C197-F199 VanDerWaalsContact O-N 3.16Å
198N90.9Very high95.9Very high118 Ų11875.2 Ų75.263%0.63141%0.408SS*.BIsolated β-bridgetrans-84.590.8173.1-169.718.1000110Q164Q164-N198 PolarHBondContact O-N 2.72Å; Q164-N198 VanDerWaalsContact O-N 3.15Å
199F95.9Very high95.9Very high23 Ų2373.7 Ų73.710%0.10140%0.404CS..  trans-74.7125.2-178.2-60.6-67.3000112.3C163 P181 I186 P187 F195 C197 D203C163-F199 HydrophobicContact CB-CD1 3.8Å; C163-F199 HydrophobicContact CB-CE1 3.63Å; P181-F199 HydrophobicContact CB-CE1 4.23Å; P181-F199 HydrophobicContact CB-CZ 4.03Å; I186-F199 HydrophobicContact CB-CZ 4.44Å; I186-F199 HydrophobicContact CG2-CE2 3.7Å; I186-F199 HydrophobicContact CG2-CZ 3.96Å; P187-F199 HydrophobicContact CB-CB 4.11Å; P187-F199 HydrophobicContact CB-CD1 4.01Å; P187-F199 HydrophobicContact CB-CG 3.97Å; P187-F199 HydrophobicContact CG-CD1 3.65Å; P187-F199 HydrophobicContact CG-CE1 3.8Å; P187-F199 HydrophobicContact CG-CG 4.09Å; P187-F199 HydrophobicContact CG-CZ 4.37Å; F195-F199 HydrophobicContact CB-CZ 4.42Å; C197-F199 HydrophobicContact CB-CD1 4.21Å; C197-F199 HydrophobicContact CB-CD2 4.4Å; C197-F199 HydrophobicContact CB-CE1 3.71Å; C197-F199 HydrophobicContact CB-CE2 3.89Å; C197-F199 HydrophobicContact CB-CZ 3.53Å; C197-F199 WeakPolarHBondContact O-CD2 3.46Å; C197-F199 PolarHBondContact O-N 3.18Å; C197-F199 VanDerWaalsContact O-N 3.16Å; F199-D203 HydrophobicContact CB-CB 4.05Å; F199-D203 HydrophobicContact CD1-CB 3.92Å; F199-D203 HydrophobicContact CG-CB 4.46Å
200S96.8Very high96Very high53 Ų5368.4 Ų68.437%0.37138%0.377SS..  trans-84.2174.5172.677.90000112.3N202 D203 I204S200-N202 PolarHBondContact O-N 3.22Å; S200-N202 PolarHBondContact OG-N 2.91Å; S200-D203 WeakPolarHBondContact CA-OD2 3.09Å; S200-D203 WeakPolarHBondContact CB-OD2 3.42Å; S200-D203 PolarHBondContact N-OD2 2.94Å; S200-D203 WeakPolarHBondContact O-CB 3.42Å; S200-D203 PolarHBondContact O-N 3.08Å; S200-D203 VanDerWaalsContact O-N 3.14Å; S200-D203 PolarHBondContact OG-N 2.94Å; S200-D203 PolarHBondContact OG-OD2 3.29Å; S200-I204 PolarHBondContact O-N 3.3Å
201K97.4Very high96.2Very high181 Ų18169.9 Ų69.979%0.78738%0.38SS*.Hα-helixtrans-62.3-30.8171.9-67.7-177.5179.3178.90112.8D203 I204 M205K201-D203 VanDerWaalsContact C-N 3.29Å; K201-I204 PolarHBondContact O-N 2.76Å; K201-M205 PolarHBondContact O-N 3.09Å; K201-M205 VanDerWaalsContact O-N 3.11Å
202N98Very high96.4Very high105 Ų10569.1 Ų69.156%0.56137%0.374SS*.Hα-helixtrans-68.1-35176.3-68.2-13.1000110.5S200 M205 L206S200-N202 PolarHBondContact O-N 3.22Å; S200-N202 PolarHBondContact OG-N 2.91Å; N202-M205 PolarHBondContact O-N 2.68Å; N202-L206 WeakPolarHBondContact O-CB 3.39Å; N202-L206 PolarHBondContact O-N 3.01Å
203D98.3Very high96.6Very high6 Ų674.4 Ų74.43%0.03239%0.39CS..Hα-helixtrans-66.6-40.7176.9-59.1-63.9000111.9H161 Y182 P187 F199 S200 K201 L206 S207H161-D203 IonicContact CD2-OD1 3.14Å; H161-D203 IonicContact CE1-OD1 2.94Å; H161-D203 IonicContact NE2-OD1 2.64Å; H161-D203 PolarHBondContact NE2-OD1 2.72Å; Y182-D203 HydrophobicContact CE1-CB 3.91Å; Y182-D203 PolarHBondContact OH-OD1 2.73Å; P187-D203 HydrophobicContact CB-CB 4.02Å; P187-D203 HydrophobicContact CG-CB 4.16Å; F199-D203 HydrophobicContact CB-CB 4.05Å; F199-D203 HydrophobicContact CD1-CB 3.92Å; F199-D203 HydrophobicContact CG-CB 4.46Å; S200-D203 WeakPolarHBondContact CA-OD2 3.09Å; S200-D203 WeakPolarHBondContact CB-OD2 3.42Å; S200-D203 PolarHBondContact N-OD2 2.94Å; S200-D203 WeakPolarHBondContact O-CB 3.42Å; S200-D203 PolarHBondContact O-N 3.08Å; S200-D203 VanDerWaalsContact O-N 3.14Å; S200-D203 PolarHBondContact OG-N 2.94Å; S200-D203 PolarHBondContact OG-OD2 3.29Å; K201-D203 VanDerWaalsContact C-N 3.29Å; D203-L206 PolarHBondContact O-N 2.6Å; D203-S207 VanDerWaalsContact O-CB 3.3Å; D203-S207 WeakPolarHBondContact O-CB 3.36Å; D203-S207 PolarHBondContact O-N 3.37Å
204I98.3Very high96.8Very high73 Ų7369.2 Ų69.237%0.37436%0.358SS..Hα-helixtrans-60.6-46.7174.1-63.2171.6000110.5P187 M188 S200 K201 S207 A208P187-I204 HydrophobicContact CB-CG1 4.13Å; P187-I204 WeakPolarHBondContact O-CG1 3.32Å; M188-I204 HydrophobicContact CG-CG2 4.42Å; S200-I204 PolarHBondContact O-N 3.3Å; K201-I204 PolarHBondContact O-N 2.76Å; I204-S207 PolarHBondContact O-N 3.27Å; I204-A208 PolarHBondContact O-N 3.43Å
205M98.6Very high97.1Very high120 Ų12065.7 Ų65.759%0.59134%0.342SS*.Hα-helixtrans-63.9-46.8178.7-179.2-174.775.600111.4K201 N202 S207 A208 V209K201-M205 PolarHBondContact O-N 3.09Å; K201-M205 VanDerWaalsContact O-N 3.11Å; N202-M205 PolarHBondContact O-N 2.68Å; M205-S207 VanDerWaalsContact C-N 3.34Å; M205-S207 PolarHBondContact O-N 3.09Å; M205-A208 WeakPolarHBondContact O-CB 2.82Å; M205-A208 PolarHBondContact O-N 3.49Å; M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 2.9Å
206L98.7Very high97.3Very high41 Ų4166.8 Ų66.822%0.21535%0.35CS..Hα-helixtrans-61.9-43178.5179.861.8000111.2F159 H161 Y182 N202 D203 A208 V209 V210F159-L206 HydrophobicContact CE2-CD2 4.28Å; F159-L206 HydrophobicContact CZ-CD2 3.9Å; H161-L206 HydrophobicContact CB-CD2 3.56Å; H161-L206 WeakPolarHBondContact CD2-CD2 3.38Å; H161-L206 VanDerWaalsContact CG-CD2 3.42Å; Y182-L206 HydrophobicContact CD1-CB 4.18Å; Y182-L206 HydrophobicContact CD1-CD2 3.89Å; Y182-L206 HydrophobicContact CD1-CG 3.99Å; Y182-L206 HydrophobicContact CE1-CB 4.41Å; Y182-L206 HydrophobicContact CE1-CD2 3.88Å; Y182-L206 HydrophobicContact CE1-CG 4.38Å; Y182-L206 HydrophobicContact CG-CD2 4.47Å; N202-L206 WeakPolarHBondContact O-CB 3.39Å; N202-L206 PolarHBondContact O-N 3.01Å; D203-L206 PolarHBondContact O-N 2.6Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.89Å; L206-V209 WeakPolarHBondContact O-CB 3.39Å; L206-V209 PolarHBondContact O-N 3.44Å; L206-V209 VanDerWaalsContact O-N 3.11Å; L206-V210 HydrophobicContact CD1-CG2 4.13Å; L206-V210 HydrophobicContact CG-CG2 4.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 2.94Å
207S98.8Very high97.6Very high0 Ų065.3 Ų65.30%034%0.336CS..Hα-helixtrans-62.4-39.2176.6-178.90000112.3Y182 G185 D203 I204 M205 V209 V210 M211Y182-S207 PolarHBondContact O-OG 3.18Å; G185-S207 VanDerWaalsContact CA-OG 3.26Å; G185-S207 WeakPolarHBondContact CA-OG 3.48Å; D203-S207 VanDerWaalsContact O-CB 3.3Å; D203-S207 WeakPolarHBondContact O-CB 3.36Å; D203-S207 PolarHBondContact O-N 3.37Å; I204-S207 PolarHBondContact O-N 3.27Å; M205-S207 VanDerWaalsContact C-N 3.34Å; M205-S207 PolarHBondContact O-N 3.09Å; S207-V209 VanDerWaalsContact C-N 3.33Å; S207-V209 PolarHBondContact O-N 3.28Å; S207-V210 PolarHBondContact O-N 3.3Å; S207-M211 WeakPolarHBondContact O-CB 3.28Å; S207-M211 WeakPolarHBondContact O-CG 3.35Å; S207-M211 PolarHBondContact O-N 3.2Å
208A98.8Very high98Very high38 Ų3868.8 Ų68.831%0.31437%0.366SS..Hα-helixtrans-61.6-40.8172.600000112.2M188 I204 M205 L206 T212M188-A208 HydrophobicContact CE-CB 3.64Å; I204-A208 PolarHBondContact O-N 3.43Å; M205-A208 WeakPolarHBondContact O-CB 2.82Å; M205-A208 PolarHBondContact O-N 3.49Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 2.89Å; A208-T212 WeakPolarHBondContact O-CB 2.93Å; A208-T212 PolarHBondContact O-N 2.96Å; A208-T212 PolarHBondContact O-OG1 3.3Å
209V98.8Very high98.4Very high63 Ų6370.3 Ų70.338%0.38237%0.367SS..Hα-helixtrans-63.8-50.7176.2170.30000110.9M205 L206 S207 M211 T212 Y213M205-V209 WeakPolarHBondContact O-CG2 3.08Å; M205-V209 PolarHBondContact O-N 2.9Å; L206-V209 WeakPolarHBondContact O-CB 3.39Å; L206-V209 PolarHBondContact O-N 3.44Å; L206-V209 VanDerWaalsContact O-N 3.11Å; S207-V209 VanDerWaalsContact C-N 3.33Å; S207-V209 PolarHBondContact O-N 3.28Å; V209-M211 PolarHBondContact O-N 2.92Å; V209-T212 WeakPolarHBondContact O-CB 3.37Å; V209-T212 PolarHBondContact O-N 3.41Å; V209-T212 VanDerWaalsContact O-N 3.13Å; V209-Y213 HydrophobicContact CG1-CD2 3.75Å; V209-Y213 HydrophobicContact CG1-CE2 3.44Å; V209-Y213 VanDerWaalsContact CG1-CE2 3.44Å; V209-Y213 WeakPolarHBondContact O-CD2 3.4Å; V209-Y213 PolarHBondContact O-N 2.64Å
210V98.9Very high98.5Very high17 Ų1774.5 Ų74.510%0.10340%0.395CS..Hα-helixtrans-58.9-49.9179.6170.40000110.9F159 V183 L206 S207 T212 Y213 W214F159-V210 HydrophobicContact CE2-CG2 3.97Å; V183-V210 HydrophobicContact CG2-CG1 3.98Å; L206-V210 HydrophobicContact CD1-CG2 4.13Å; L206-V210 HydrophobicContact CG-CG2 4.25Å; L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 2.94Å; S207-V210 PolarHBondContact O-N 3.3Å; V210-T212 VanDerWaalsContact C-N 3.27Å; V210-T212 PolarHBondContact O-N 2.86Å; V210-Y213 PolarHBondContact O-N 3.46Å; V210-W214 VanDerWaalsContact CG1-CD1 3.46Å; V210-W214 PolarHBondContact O-N 2.96Å
211M98.8Very high98.3Very high48 Ų4873.3 Ų73.324%0.23639%0.39CS..Hα-helixtrans-62.7-33.8176.4-74-167.2-65.400112.7V183 M188 S207 V209 T215V183-M211 VanDerWaalsContact O-CG 3.28Å; V183-M211 WeakPolarHBondContact O-CG 3.43Å; M188-M211 HydrophobicContact CE-CE 3.11Å; M188-M211 HydrophobicContact SD-CE 3.56Å; M188-M211 VanDerWaalsContact SD-CE 3.56Å; S207-M211 WeakPolarHBondContact O-CB 3.28Å; S207-M211 WeakPolarHBondContact O-CG 3.35Å; S207-M211 PolarHBondContact O-N 3.2Å; V209-M211 PolarHBondContact O-N 2.92Å; M211-T215 VanDerWaalsContact O-CB 3.29Å; M211-T215 WeakPolarHBondContact O-CB 3.28Å; M211-T215 VanDerWaalsContact O-CG2 3.23Å; M211-T215 WeakPolarHBondContact O-CG2 3.22Å; M211-T215 PolarHBondContact O-N 3.47Å; M211-T215 PolarHBondContact O-OG1 2.81Å
212T98.9Very high98.4Very high73 Ų7367.9 Ų67.945%0.44837%0.37SS..Hα-helixtrans-64.9-46.3175.7-61.30000110.7A208 V209 V210 T215 N216A208-T212 WeakPolarHBondContact O-CB 2.93Å; A208-T212 PolarHBondContact O-N 2.96Å; A208-T212 PolarHBondContact O-OG1 3.3Å; V209-T212 WeakPolarHBondContact O-CB 3.37Å; V209-T212 PolarHBondContact O-N 3.41Å; V209-T212 VanDerWaalsContact O-N 3.13Å; V210-T212 VanDerWaalsContact C-N 3.27Å; V210-T212 PolarHBondContact O-N 2.86Å; T212-T215 PolarHBondContact O-OG1 3.49Å; T212-N216 VanDerWaalsContact O-CB 3.23Å; T212-N216 WeakPolarHBondContact O-CB 3.37Å; T212-N216 PolarHBondContact O-N 3.01Å; T212-N216 PolarHBondContact O-ND2 2.93Å
213Y98.8Very high98.4Very high155 Ų15565.9 Ų65.961%0.60836%0.36SS*.Hα-helixtrans-61.4-49175-74.2-57.5000111.9V209 V210 T215 N216 F217V209-Y213 HydrophobicContact CG1-CD2 3.75Å; V209-Y213 HydrophobicContact CG1-CE2 3.44Å; V209-Y213 VanDerWaalsContact CG1-CE2 3.44Å; V209-Y213 WeakPolarHBondContact O-CD2 3.4Å; V209-Y213 PolarHBondContact O-N 2.64Å; V210-Y213 PolarHBondContact O-N 3.46Å; Y213-T215 PolarHBondContact O-N 2.98Å; Y213-N216 PolarHBondContact O-N 3.19Å; Y213-F217 WeakPolarHBondContact O-CB 3.21Å; Y213-F217 PolarHBondContact O-N 3.11Å
214W98.8Very high98.4Very high64 Ų6469.3 Ų69.324%0.24238%0.379CS..Hα-helixtrans-62.6-43.1-179.7-73.8139.5000113.6M55 Y157 V210 A218M55-W214 HydrophobicContact CB-CH2 4.07Å; M55-W214 HydrophobicContact CB-CZ3 3.6Å; M55-W214 HydrophobicContact CE-CE3 4.21Å; M55-W214 HydrophobicContact CE-CZ3 4.05Å; M55-W214 HydrophobicContact CG-CE3 4.37Å; M55-W214 HydrophobicContact CG-CH2 3.42Å; M55-W214 VanDerWaalsContact CG-CH2 3.42Å; M55-W214 HydrophobicContact CG-CZ3 3.34Å; M55-W214 HydrophobicContact SD-CD2 4.27Å; M55-W214 HydrophobicContact SD-CE3 3.53Å; M55-W214 VanDerWaalsContact SD-CE3 3.53Å; M55-W214 HydrophobicContact SD-CH2 3.29Å; M55-W214 WeakPolarHBondContact SD-CH2 3.3Å; M55-W214 HydrophobicContact SD-CZ2 4.05Å; M55-W214 HydrophobicContact SD-CZ3 3.03Å; M55-W214 WeakPolarHBondContact SD-CZ3 3.26Å; Y157-W214 HydrophobicContact CD1-CH2 4.13Å; Y157-W214 HydrophobicContact CD1-CZ2 4.17Å; Y157-W214 AromaticContact CE1-CH2 3.64Å; Y157-W214 HydrophobicContact CE1-CH2 3.64Å; Y157-W214 AromaticContact CE1-CZ2 3.58Å; Y157-W214 HydrophobicContact CE1-CZ2 3.58Å; V210-W214 VanDerWaalsContact CG1-CD1 3.46Å; V210-W214 PolarHBondContact O-N 2.96Å; W214-A218 WeakPolarHBondContact O-CB 3.47Å; W214-A218 PolarHBondContact O-N 3.15Å
215T98.8Very high98.4Very high64 Ų6469.1 Ų69.139%0.39338%0.379SS..Hα-helixtrans-76.8-24.2179.8610000112.9M211 T212 Y213 K219M211-T215 VanDerWaalsContact O-CB 3.29Å; M211-T215 WeakPolarHBondContact O-CB 3.28Å; M211-T215 VanDerWaalsContact O-CG2 3.23Å; M211-T215 WeakPolarHBondContact O-CG2 3.22Å; M211-T215 PolarHBondContact O-N 3.47Å; M211-T215 PolarHBondContact O-OG1 2.81Å; T212-T215 PolarHBondContact O-OG1 3.49Å; Y213-T215 PolarHBondContact O-N 2.98Å; T215-K219 WeakPolarHBondContact O-CD 3.1Å; T215-K219 WeakPolarHBondContact O-CE 3.3Å; T215-K219 WeakPolarHBondContact O-CG 3.43Å; T215-K219 PolarHBondContact O-N 3Å
216N98.8Very high98.4Very high73 Ų7365.9 Ų65.939%0.3937%0.366SS..Hα-helixtrans-71.2-48.4170.2-75.3-9.5000110.4T212 Y213 A218 K219 T220T212-N216 VanDerWaalsContact O-CB 3.23Å; T212-N216 WeakPolarHBondContact O-CB 3.37Å; T212-N216 PolarHBondContact O-N 3.01Å; T212-N216 PolarHBondContact O-ND2 2.93Å; Y213-N216 PolarHBondContact O-N 3.19Å; N216-A218 VanDerWaalsContact C-N 3.27Å; N216-A218 PolarHBondContact O-N 2.84Å; N216-K219 WeakPolarHBondContact O-CA 3.34Å; N216-K219 WeakPolarHBondContact O-CB 3.4Å; N216-K219 PolarHBondContact O-N 3.07Å; N216-T220 PolarHBondContact O-N 3.29Å; N216-T220 PolarHBondContact O-OG1 3.32Å
217F98.7Very high98.4Very high43 Ų4367.5 Ų67.519%0.18938%0.376CS..Hα-helixtrans-54.2-44.7174.4-178.9-103.4000111.7D53 M55 Y155 Y213 K219 T220 G221D53-F217 HydrophobicContact CB-CE2 3.9Å; D53-F217 HydrophobicContact CB-CZ 3.99Å; D53-F217 WeakPolarHBondContact O-CZ 3.43Å; M55-F217 HydrophobicContact CB-CD1 4.34Å; M55-F217 HydrophobicContact CB-CD2 4.22Å; M55-F217 HydrophobicContact CB-CE1 4.09Å; M55-F217 HydrophobicContact CB-CE2 3.96Å; M55-F217 HydrophobicContact CB-CG 4.39Å; M55-F217 HydrophobicContact CB-CZ 3.88Å; M55-F217 HydrophobicContact CE-CB 3.67Å; M55-F217 HydrophobicContact CE-CD1 4.45Å; M55-F217 HydrophobicContact CE-CD2 3.71Å; M55-F217 HydrophobicContact CE-CE2 4.47Å; M55-F217 HydrophobicContact CE-CG 3.69Å; Y155-F217 AromaticContact CD2-CD2 3.98Å; Y155-F217 HydrophobicContact CD2-CD2 3.98Å; Y155-F217 AromaticContact CD2-CE2 3.71Å; Y155-F217 HydrophobicContact CD2-CE2 3.71Å; Y155-F217 HydrophobicContact CE2-CD2 4.01Å; Y155-F217 AromaticContact CE2-CE2 3.88Å; Y155-F217 HydrophobicContact CE2-CE2 3.88Å; Y213-F217 WeakPolarHBondContact O-CB 3.21Å; Y213-F217 PolarHBondContact O-N 3.11Å; F217-K219 VanDerWaalsContact C-N 3.26Å; F217-K219 PolarHBondContact O-N 3.28Å; F217-T220 PolarHBondContact O-N 2.91Å; F217-G221 WeakPolarHBondContact O-CA 3.29Å; F217-G221 PolarHBondContact O-N 2.94Å
218A98.6Very high98.3Very high87 Ų8772.4 Ų72.472%0.71940%0.403SS*.Hα-helixtrans-63.5-26.6175.100000114.4W214 N216W214-A218 WeakPolarHBondContact O-CB 3.47Å; W214-A218 PolarHBondContact O-N 3.15Å; N216-A218 VanDerWaalsContact C-N 3.27Å; N216-A218 PolarHBondContact O-N 2.84Å
219K98.6Very high98.3Very high150 Ų15075 Ų7565%0.65241%0.409SS*.Hα-helixtrans-85.8-32.4179.8-73.2163-165.8159.20112.6T215 N216 F217T215-K219 WeakPolarHBondContact O-CD 3.1Å; T215-K219 WeakPolarHBondContact O-CE 3.3Å; T215-K219 WeakPolarHBondContact O-CG 3.43Å; T215-K219 PolarHBondContact O-N 3Å; N216-K219 WeakPolarHBondContact O-CA 3.34Å; N216-K219 WeakPolarHBondContact O-CB 3.4Å; N216-K219 PolarHBondContact O-N 3.07Å; F217-K219 VanDerWaalsContact C-N 3.26Å; F217-K219 PolarHBondContact O-N 3.28Å
220T98.2Very high98.3Very high111 Ų11176 Ų7668%0.68141%0.412SS*.Hα-helixtrans-138-4.6-164.455.90000116.1N216 F217N216-T220 PolarHBondContact O-N 3.29Å; N216-T220 PolarHBondContact O-OG1 3.32Å; F217-T220 PolarHBondContact O-N 2.91Å
221G93.4Very high98.2Very high27 Ų2781.4 Ų81.428%0.27844%0.44SS..  trans61.90-154.900000111.1D53 Y155 F217D53-G221 WeakPolarHBondContact OD2-CA 3.44Å; Y155-G221 WeakPolarHBondContact CE2-O 3.46Å; Y155-G221 VanDerWaalsContact CZ-O 3.26Å; Y155-G221 PolarHBondContact OH-O 2.94Å; F217-G221 WeakPolarHBondContact O-CA 3.29Å; F217-G221 PolarHBondContact O-N 2.94Å

Retrieved 221 of 221 residues in 192.5 ms (Link to these results)

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