A0A087Y3U6_POEFO Loading...

Guanylate kinase

AlphaFold DB , UniProt , Accession A0A087Y3U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M36.9Very low49.9Very low245 Ų245127.7 Ų127.7100%1.20772%0.717SS**  099.30-73.9166.7167.700108
2R37.6Very low53.5Low249 Ų249118.9 Ų118.994%0.9467%0.669SS**  trans-128.682.3170-78.3-174.7-174.6155.11.5106.3
3D39.9Very low56.7Low147 Ų147116.1 Ų116.179%0.78664%0.642SS**  trans-98.585.9170.2-143.8-7.5000106.1
4S38.8Very low59.6Low107 Ų107108.1 Ų108.175%0.74860%0.598SS**  trans-125.671.316076.10000106.1S6S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 2.9Å
5T39.7Very low62.1Low119 Ų119101.1 Ų101.173%0.7356%0.559SS**  trans-51.4103.9156.632.50000106.3K7T5-K7 VanDerWaalsContact C-N 3.35Å; T5-K7 PolarHBondContact O-N 2.9Å
6S43.7Very low64.3Low80 Ų8094.8 Ų94.856%0.55952%0.524SS*.  trans-57.9109.516857.80000104.7S4 A8 D122S4-S6 VanDerWaalsContact C-N 3.3Å; S4-S6 PolarHBondContact O-N 2.9Å; S6-A8 VanDerWaalsContact C-N 3.34Å; S6-A8 PolarHBondContact O-N 3.1Å; S6-D122 VanDerWaalsContact CB-OD2 3.23Å; S6-D122 WeakPolarHBondContact CB-OD2 3.43Å; S6-D122 PolarHBondContact OG-OD2 3.12Å
7K44.6Very low66.1Low196 Ų19689.2 Ų89.285%0.85249%0.493SS*.  trans-60.9107175.3-147.6177-172.9-179.20104T5 M9T5-K7 VanDerWaalsContact C-N 3.35Å; T5-K7 PolarHBondContact O-N 2.9Å; K7-M9 PolarHBondContact O-N 3.35Å; K7-M9 VanDerWaalsContact O-N 3.12Å
8A52.7Low67.7Low79 Ų7984.2 Ų84.265%0.65347%0.466SS*.  trans-43.5125.9176.900000107.2S6 A10S6-A8 VanDerWaalsContact C-N 3.34Å; S6-A8 PolarHBondContact O-N 3.1Å; A8-A10 PolarHBondContact O-N 3.08Å
9M60.3Low69Low53 Ų5380.1 Ų80.126%0.26144%0.444SS..  trans-55.3119-167.9-67.2-157.4-66.300109.7K7 G11 I79 V96 Q97 Q100 L123K7-M9 PolarHBondContact O-N 3.35Å; K7-M9 VanDerWaalsContact O-N 3.12Å; M9-G11 PolarHBondContact O-N 3.47Å; M9-I79 HydrophobicContact CE-CD1 4.3Å; M9-V96 HydrophobicContact CE-CB 4.27Å; M9-V96 HydrophobicContact CE-CG1 3.51Å; M9-V96 HydrophobicContact SD-CG1 4.31Å; M9-Q97 HydrophobicContact SD-CG 4.19Å; M9-Q100 VanDerWaalsContact CB-OE1 3.29Å; M9-L123 HydrophobicContact CE-CD1 2.98Å; M9-L123 HydrophobicContact CE-CG 4.42Å
10A71.1Confident70Confident91 Ų9176.1 Ų76.175%0.75242%0.422SS*.SBendtrans-73.5109.2-172.300000109.2A8A8-A10 PolarHBondContact O-N 3.08Å
11G83.8Confident70.6Confident39 Ų3974.5 Ų74.540%0.40242%0.416SS..SBendtrans160.3179.7176.800000112.6M9M9-G11 PolarHBondContact O-N 3.47Å
12P93.2Very high72.9Confident22 Ų2263.6 Ų63.614%0.14337%0.367CS..SBendtrans-55.4147.5173.8-24.935.9000111.8P14 Q100 I105 V200P12-P14 WeakPolarHBondContact O-CD 3.5Å; P12-Q100 PolarHBondContact O-NE2 3.42Å; P12-I105 HydrophobicContact CB-CG1 3.82Å; P12-V200 HydrophobicContact CB-CG2 3.69Å; P12-V200 HydrophobicContact CG-CG2 3.57Å
13R95.2Very high75.5Confident82 Ų8251.8 Ų51.831%0.30932%0.322SS..PPolyproline II helixtrans-59.4124.7178.8-172178.5-178.4-168.4-6.9109.4N124 P125R13-N124 VanDerWaalsContact CG-O 3.31Å; R13-N124 WeakPolarHBondContact CG-O 3.48Å; R13-N124 PolarHBondContact NE-O 2.88Å; R13-N124 PolarHBondContact NH2-OD1 3.09Å; R13-P125 PolarHBondContact NH2-O 3.44Å
14P97.1Very high78Confident5 Ų545.5 Ų45.53%0.03229%0.293CS..PPolyproline II helixtrans-66.5164.7177.9-20.233.2000112.2P12 C106 L108 L123 P125 M126P12-P14 WeakPolarHBondContact O-CD 3.5Å; P14-C106 CarbonylContact C-O 3.52Å; P14-C106 WeakPolarHBondContact CA-O 3.35Å; P14-C106 HydrophobicContact CB-CB 4.14Å; P14-L108 HydrophobicContact CB-CD1 3.94Å; P14-L123 HydrophobicContact CB-CD1 4.46Å; P14-L123 HydrophobicContact CG-CD1 3.8Å; P14-L123 HydrophobicContact CG-CG 4.28Å; P14-P125 HydrophobicContact CB-CB 4.12Å; P14-P125 CarbonylContact O-C 3.59Å; P14-P125 WeakPolarHBondContact O-CA 3.49Å; P14-P125 WeakPolarHBondContact O-CB 3.03Å; P14-M126 PolarHBondContact O-N 3.01Å
15V97.6Very high80.5Confident2 Ų241.8 Ų41.81%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-127.7130.417361.70000109.8F17 I105 C106 I107 L108 M126 I128 L193V15-F17 HydrophobicContact CB-CE2 4.21Å; V15-F17 HydrophobicContact CG1-CD2 4.07Å; V15-F17 HydrophobicContact CG1-CE2 3.6Å; V15-F17 HydrophobicContact CG2-CD2 3.84Å; V15-F17 HydrophobicContact CG2-CE2 3.51Å; V15-F17 HydrophobicContact CG2-CZ 4.3Å; V15-I105 HydrophobicContact CB-CG2 4.4Å; V15-I105 HydrophobicContact CG1-CG2 3.84Å; V15-C106 PolarHBondContact N-O 2.79Å; V15-I107 HydrophobicContact CG1-CB 4.3Å; V15-I107 HydrophobicContact CG1-CG1 3.73Å; V15-I107 WeakPolarHBondContact O-CA 3.41Å; V15-L108 PolarHBondContact O-N 2.8Å; V15-M126 CarbonylContact C-O 3.49Å; V15-M126 WeakPolarHBondContact CA-O 3.34Å; V15-M126 HydrophobicContact CG2-CB 4.41Å; V15-I128 HydrophobicContact CG2-CD1 3.81Å; V15-I128 HydrophobicContact CG2-CG1 4.07Å; V15-L193 HydrophobicContact CB-CD2 4.36Å; V15-L193 HydrophobicContact CG2-CD2 3.99Å
16V96.6Very high82.9Confident0 Ų039.4 Ų39.40%025%0.251CS..EExtended strand (participates in β ladder)trans-98.4123.9171.5167.30000108.1L108 I110 V115 I118 P125 M126 Y127 I128V16-L108 CarbonylContact C-O 3.6Å; V16-L108 WeakPolarHBondContact CA-O 3.5Å; V16-L108 HydrophobicContact CG2-CB 4.07Å; V16-L108 HydrophobicContact CG2-CD2 4.33Å; V16-I110 HydrophobicContact CG1-CD1 3.77Å; V16-I110 HydrophobicContact CG1-CG1 3.77Å; V16-I110 HydrophobicContact CG2-CD1 4.2Å; V16-V115 HydrophobicContact CG1-CG2 3.88Å; V16-I118 HydrophobicContact CG2-CD1 3.86Å; V16-P125 HydrophobicContact CB-CB 4.48Å; V16-P125 HydrophobicContact CB-CG 4.43Å; V16-P125 HydrophobicContact CG2-CB 3.81Å; V16-P125 HydrophobicContact CG2-CG 3.64Å; V16-M126 PolarHBondContact N-O 2.97Å; V16-Y127 HydrophobicContact CB-CD1 3.92Å; V16-Y127 HydrophobicContact CB-CE1 4.34Å; V16-Y127 HydrophobicContact CG1-CD1 3.97Å; V16-Y127 HydrophobicContact CG1-CE1 4.44Å; V16-Y127 HydrophobicContact CG2-CD1 4.35Å; V16-Y127 HydrophobicContact CG2-CE1 4.27Å; V16-I128 PolarHBondContact O-N 3.18Å
17F95.6Very high85.3Confident0 Ų039.1 Ų39.10%025%0.246CC..EExtended strand (participates in β ladder)trans-103.3129.8168-76.8-101.6000108.9V15 L29 L32 I107 L108 I110 I128 I130 L189 L193V15-F17 HydrophobicContact CB-CE2 4.21Å; V15-F17 HydrophobicContact CG1-CD2 4.07Å; V15-F17 HydrophobicContact CG1-CE2 3.6Å; V15-F17 HydrophobicContact CG2-CD2 3.84Å; V15-F17 HydrophobicContact CG2-CE2 3.51Å; V15-F17 HydrophobicContact CG2-CZ 4.3Å; F17-L29 HydrophobicContact CD1-CD2 3.99Å; F17-L29 HydrophobicContact CD1-CG 4.39Å; F17-L29 HydrophobicContact CD2-CD2 3.8Å; F17-L29 HydrophobicContact CE1-CD2 3.8Å; F17-L29 HydrophobicContact CE1-CG 4.43Å; F17-L29 HydrophobicContact CE2-CD2 3.59Å; F17-L29 HydrophobicContact CG-CD2 3.96Å; F17-L29 HydrophobicContact CZ-CD2 3.58Å; F17-L32 HydrophobicContact CZ-CD2 4.29Å; F17-I107 HydrophobicContact CD2-CG2 3.87Å; F17-I107 HydrophobicContact CE2-CG2 4.2Å; F17-L108 PolarHBondContact N-O 2.92Å; F17-I110 PolarHBondContact O-N 3.19Å; F17-I128 WeakPolarHBondContact CA-O 3.35Å; F17-I128 HydrophobicContact CD1-CB 4.48Å; F17-I128 HydrophobicContact CD1-CG2 4.47Å; F17-I128 HydrophobicContact CE1-CG2 4.39Å; F17-I128 HydrophobicContact CZ-CD1 4.38Å; F17-I130 HydrophobicContact CD1-CD1 4.42Å; F17-I130 HydrophobicContact CD1-CG1 4.2Å; F17-L189 HydrophobicContact CE1-CD1 3.53Å; F17-L189 HydrophobicContact CE1-CD2 3.88Å; F17-L189 HydrophobicContact CE1-CG 4.35Å; F17-L189 HydrophobicContact CZ-CD1 3.67Å; F17-L189 HydrophobicContact CZ-CD2 4.18Å; F17-L189 HydrophobicContact CZ-CG 4.47Å; F17-L193 HydrophobicContact CZ-CD1 4.14Å
18S93.8Very high87.8Confident0 Ų029.8 Ų29.80%021%0.206CC..EExtended strand (participates in β ladder)trans-140.5171.7174-159.50000111.3I110 I128 S129 I130S18-I110 WeakPolarHBondContact CA-O 3.41Å; S18-I110 VanDerWaalsContact CB-O 3.28Å; S18-I110 WeakPolarHBondContact CB-O 3.49Å; S18-I110 PolarHBondContact OG-O 3.27Å; S18-I128 PolarHBondContact N-O 3.45Å; S18-S129 CarbonylContact O-C 3.57Å; S18-S129 WeakPolarHBondContact O-CA 3.39Å; S18-I130 PolarHBondContact O-N 3.31Å
19G92.6Very high89.7Confident5 Ų526.2 Ų26.25%0.05218%0.175CC..  trans134.5168-177.500000112K25 I130G19-K25 PolarHBondContact O-NZ 2.78Å; G19-I130 WeakPolarHBondContact CA-O 3.28Å
20P90Very high91.3Very high1 Ų131 Ų311%0.00620%0.195CC..  trans-67.8155-17023.8-31.4000113.2G22 A23 K25 Q131 P132 L138 A160P20-G22 PolarHBondContact O-N 2.85Å; P20-A23 HydrophobicContact CG-CB 4.08Å; P20-A23 VanDerWaalsContact O-CB 3.23Å; P20-A23 WeakPolarHBondContact O-CB 3.24Å; P20-A23 PolarHBondContact O-N 3.34Å; P20-A23 VanDerWaalsContact O-N 3.12Å; P20-K25 PolarHBondContact O-NZ 3.42Å; P20-Q131 VanDerWaalsContact CD-OE1 3.32Å; P20-P132 HydrophobicContact CG-CG 4.24Å; P20-L138 HydrophobicContact CB-CD2 4.02Å; P20-L138 HydrophobicContact CG-CD2 4.18Å; P20-A160 HydrophobicContact CB-CB 3.38Å; P20-A160 HydrophobicContact CG-CB 4.2Å
21S82.9Confident92.5Very high43 Ų4329.8 Ų29.830%0.30117%0.172SC..THydrogen-bonded Turntrans-58.4127.6168.3165.20000109.3L138 R156S21-L138 WeakPolarHBondContact O-CD1 3.23Å; S21-R156 PolarHBondContact OG-NH1 3.28Å
22G85.2Confident93.1Very high16 Ų1627.9 Ų27.917%0.16515%0.153CC..THydrogen-bonded Turntrans96.6-7.3-176.500000114.5P20 G24 L138P20-G22 PolarHBondContact O-N 2.85Å; G22-G24 PolarHBondContact O-N 3.4Å; G22-L138 VanDerWaalsContact C-CD1 3.44Å
23A91.9Very high93.1Very high0 Ų029.3 Ų29.30%016%0.159CC..SBendtrans-67.6-13.8175.500000114.2P20 I130 N179P20-A23 HydrophobicContact CG-CB 4.08Å; P20-A23 VanDerWaalsContact O-CB 3.23Å; P20-A23 WeakPolarHBondContact O-CB 3.24Å; P20-A23 PolarHBondContact O-N 3.34Å; P20-A23 VanDerWaalsContact O-N 3.12Å; A23-I130 HydrophobicContact CB-CG2 4.15Å; A23-I130 VanDerWaalsContact CB-O 3.24Å; A23-I130 WeakPolarHBondContact CB-O 3.42Å; A23-N179 WeakPolarHBondContact O-CB 3.4Å; A23-N179 PolarHBondContact O-ND2 3.38Å
24G91.3Very high93Very high16 Ų1633.4 Ų33.417%0.16518%0.179CC..SBendtrans93.814.4178.600000115.7G22 S26 T27 L28G22-G24 PolarHBondContact O-N 3.4Å; G24-S26 PolarHBondContact O-N 3.31Å; G24-T27 WeakPolarHBondContact O-CB 3.47Å; G24-T27 PolarHBondContact O-N 3.39Å; G24-T27 VanDerWaalsContact O-N 3.08Å; G24-L28 PolarHBondContact O-N 3.35Å; G24-L28 VanDerWaalsContact O-N 3.09Å
25K92.6Very high93Very high28 Ų2837.6 Ų37.612%0.12220%0.198CC..Hα-helixtrans-46.5-56175.8-63.4-166.1-55.5-77.90113.1G19 P20 T27 L28 L29 D109 I130G19-K25 PolarHBondContact O-NZ 2.78Å; P20-K25 PolarHBondContact O-NZ 3.42Å; K25-T27 PolarHBondContact O-N 3.31Å; K25-L28 PolarHBondContact O-N 3.4Å; K25-L28 VanDerWaalsContact O-N 3.16Å; K25-L29 WeakPolarHBondContact O-CB 3.48Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.31Å; K25-L29 PolarHBondContact O-N 2.98Å; K25-D109 WeakPolarHBondContact CE-OD1 3.39Å; K25-I130 HydrophobicContact CG-CB 3.82Å; K25-I130 HydrophobicContact CG-CG1 3.97Å; K25-I130 HydrophobicContact CG-CG2 4.33Å
26S89.7Confident92.8Very high69 Ų6938.1 Ų38.148%0.48320%0.2SC..Hα-helixtrans-61.4-31.9-177.5-44.10000112.6G24 K30G24-S26 PolarHBondContact O-N 3.31Å; S26-K30 VanDerWaalsContact O-CB 3.32Å; S26-K30 WeakPolarHBondContact O-CB 3.38Å; S26-K30 WeakPolarHBondContact O-CD 3.32Å; S26-K30 WeakPolarHBondContact O-CG 3.46Å; S26-K30 PolarHBondContact O-N 2.73Å
27T93.2Very high92.5Very high75 Ų7544.9 Ų44.946%0.4623%0.232SC..Hα-helixtrans-68.9-47.5176.3-54.40000111G24 K25 K30 K31 L182G24-T27 WeakPolarHBondContact O-CB 3.47Å; G24-T27 PolarHBondContact O-N 3.39Å; G24-T27 VanDerWaalsContact O-N 3.08Å; K25-T27 PolarHBondContact O-N 3.31Å; T27-K30 PolarHBondContact O-N 3.32Å; T27-K31 PolarHBondContact O-N 2.98Å; T27-K31 VanDerWaalsContact O-N 3.1Å; T27-L182 HydrophobicContact CG2-CD1 3.82Å; T27-L182 HydrophobicContact CG2-CD2 3.96Å
28L96.6Very high92.4Very high0 Ų050.5 Ų50.50%026%0.262CS..Hα-helixtrans-62.7-44.7177-70.6172.4000111.8G24 K25 K31 L32 I130 L182 A185 Y186 L189G24-L28 PolarHBondContact O-N 3.35Å; G24-L28 VanDerWaalsContact O-N 3.09Å; K25-L28 PolarHBondContact O-N 3.4Å; K25-L28 VanDerWaalsContact O-N 3.16Å; L28-K31 PolarHBondContact O-N 3.12Å; L28-L32 WeakPolarHBondContact O-CB 3.27Å; L28-L32 PolarHBondContact O-N 3.48Å; L28-I130 HydrophobicContact CD1-CD1 3.89Å; L28-I130 HydrophobicContact CD1-CG1 4.23Å; L28-I130 HydrophobicContact CD1-CG2 3.79Å; L28-L182 HydrophobicContact CD2-CD1 3.73Å; L28-L182 HydrophobicContact CG-CD1 4.27Å; L28-A185 HydrophobicContact CD1-CB 4.48Å; L28-A185 HydrophobicContact CD2-CB 4.23Å; L28-Y186 HydrophobicContact CD2-CD2 4.19Å; L28-L189 HydrophobicContact CB-CD2 3.96Å
29L94.6Very high92.5Very high3 Ų350.7 Ų50.72%0.01626%0.263CS..Hα-helixtrans-62.2-43.7177.9-72.7170.2000112.2F17 K25 K31 L32 I33 F42 I107F17-L29 HydrophobicContact CD1-CD2 3.99Å; F17-L29 HydrophobicContact CD1-CG 4.39Å; F17-L29 HydrophobicContact CD2-CD2 3.8Å; F17-L29 HydrophobicContact CE1-CD2 3.8Å; F17-L29 HydrophobicContact CE1-CG 4.43Å; F17-L29 HydrophobicContact CE2-CD2 3.59Å; F17-L29 HydrophobicContact CG-CD2 3.96Å; F17-L29 HydrophobicContact CZ-CD2 3.58Å; K25-L29 WeakPolarHBondContact O-CB 3.48Å; K25-L29 VanDerWaalsContact O-CG 3.31Å; K25-L29 WeakPolarHBondContact O-CG 3.31Å; K25-L29 PolarHBondContact O-N 2.98Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 3.4Å; L29-I33 WeakPolarHBondContact O-CB 3.2Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 3.02Å; L29-F42 HydrophobicContact CB-CZ 4.14Å; L29-F42 HydrophobicContact CD1-CE1 4.05Å; L29-F42 HydrophobicContact CD1-CZ 4.26Å; L29-I107 HydrophobicContact CD2-CD1 4.02Å; L29-I107 HydrophobicContact CD2-CG2 3.84Å
30K93.3Very high92.7Very high155 Ų15551.1 Ų51.167%0.67426%0.264SS*.Hα-helixtrans-59.5-43.9174.8-78.9173.1-177.9-175.50111.7S26 T27 K34S26-K30 VanDerWaalsContact O-CB 3.32Å; S26-K30 WeakPolarHBondContact O-CB 3.38Å; S26-K30 WeakPolarHBondContact O-CD 3.32Å; S26-K30 WeakPolarHBondContact O-CG 3.46Å; S26-K30 PolarHBondContact O-N 2.73Å; T27-K30 PolarHBondContact O-N 3.32Å; K30-K34 VanDerWaalsContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CB 3.41Å; K30-K34 PolarHBondContact O-N 2.93Å; K30-K34 VanDerWaalsContact O-N 3.09Å
31K95.9Very high92.9Very high64 Ų6451.8 Ų51.828%0.27827%0.27SS..Hα-helixtrans-64.7-44177.7-168.7174.5164.1115.10111.1T27 L28 L29 K34 E35 E183 Y186T27-K31 PolarHBondContact O-N 2.98Å; T27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 3.12Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.02Å; K31-K34 PolarHBondContact O-N 3.45Å; K31-E35 PolarHBondContact O-N 3.41Å; K31-E183 IonicContact NZ-OE1 3.68Å; K31-E183 PolarHBondContact NZ-OE1 3Å; K31-E183 IonicContact NZ-OE2 2.67Å; K31-E183 PolarHBondContact NZ-OE2 2.62Å; K31-Y186 HydrophobicContact CB-CD2 4.06Å; K31-Y186 HydrophobicContact CB-CE2 3.84Å; K31-Y186 HydrophobicContact CD-CD1 3.71Å; K31-Y186 HydrophobicContact CD-CD2 3.8Å; K31-Y186 HydrophobicContact CD-CE1 3.94Å; K31-Y186 HydrophobicContact CD-CE2 4.06Å; K31-Y186 HydrophobicContact CD-CG 3.6Å; K31-Y186 VanDerWaalsContact CE-CG 3.49Å; K31-Y186 HydrophobicContact CG-CD1 4.25Å; K31-Y186 HydrophobicContact CG-CD2 3.96Å; K31-Y186 HydrophobicContact CG-CE1 3.97Å; K31-Y186 HydrophobicContact CG-CE2 3.72Å; K31-Y186 HydrophobicContact CG-CG 4.21Å; K31-Y186 PolarHBondContact O-OH 2.86Å
32L95.8Very high93.3Very high0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-60.1-48.7178.9-174.271.5000112F17 L28 L29 K34 E35 H36 F40 Y186 L189 L193F17-L32 HydrophobicContact CZ-CD2 4.29Å; L28-L32 WeakPolarHBondContact O-CB 3.27Å; L28-L32 PolarHBondContact O-N 3.48Å; L29-L32 PolarHBondContact O-N 3.4Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.36Å; L32-E35 PolarHBondContact O-N 3.01Å; L32-H36 WeakPolarHBondContact O-CB 3.43Å; L32-H36 PolarHBondContact O-CD2 3.27Å; L32-H36 PolarHBondContact O-N 3.42Å; L32-F40 HydrophobicContact CD1-CE2 4.05Å; L32-F40 HydrophobicContact CD1-CZ 4.18Å; L32-F40 HydrophobicContact CD2-CD1 4.46Å; L32-F40 HydrophobicContact CD2-CD2 4.37Å; L32-F40 HydrophobicContact CD2-CE1 4.05Å; L32-F40 HydrophobicContact CD2-CE2 3.95Å; L32-F40 HydrophobicContact CD2-CZ 3.77Å; L32-F40 HydrophobicContact CG-CD2 4.21Å; L32-F40 HydrophobicContact CG-CE2 3.72Å; L32-F40 HydrophobicContact CG-CZ 4.01Å; L32-Y186 WeakPolarHBondContact CA-OH 3.25Å; L32-Y186 HydrophobicContact CB-CE2 4Å; L32-Y186 HydrophobicContact CD1-CE2 4.27Å; L32-L189 HydrophobicContact CD2-CD2 4.39Å; L32-L193 HydrophobicContact CD1-CD1 4.39Å; L32-L193 HydrophobicContact CD2-CD1 3.68Å
33I93Very high93.7Very high52 Ų5254 Ų5427%0.26727%0.271SS..Hα-helixtrans-67.5-37.2-178.4-68.8167.3000111.1L29 H36 E37 F40 F42 I107L29-I33 WeakPolarHBondContact O-CB 3.2Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 3.02Å; I33-H36 CarbonylContact O-C 3.57Å; I33-E37 PolarHBondContact O-N 2.9Å; I33-F40 HydrophobicContact CG1-CB 4.25Å; I33-F42 HydrophobicContact CD1-CD2 3.8Å; I33-F42 HydrophobicContact CD1-CE2 3Å; I33-F42 HydrophobicContact CD1-CZ 3.44Å; I33-F42 VanDerWaalsContact CD1-CZ 3.44Å; I33-I107 HydrophobicContact CD1-CD1 4.16Å; I33-I107 HydrophobicContact CG1-CD1 4.27Å
34K94.1Very high93.7Very high168 Ų16855.3 Ų55.373%0.7328%0.279SS*.Hα-helixtrans-66.6-39.6176.5-174178.9178.9-178.30112.6K30 K31 L32K30-K34 VanDerWaalsContact O-CB 3.3Å; K30-K34 WeakPolarHBondContact O-CB 3.41Å; K30-K34 PolarHBondContact O-N 2.93Å; K30-K34 VanDerWaalsContact O-N 3.09Å; K31-K34 PolarHBondContact O-N 3.45Å; L32-K34 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.36Å
35E95.9Very high93.7Very high92 Ų9255.1 Ų55.143%0.4328%0.276SS..Hα-helixtrans-75.8-32.5178-175.3175161.400112.4K31 L32 Y186 K190K31-E35 PolarHBondContact O-N 3.41Å; L32-E35 PolarHBondContact O-N 3.01Å; E35-Y186 WeakPolarHBondContact CB-OH 3.49Å; E35-Y186 WeakPolarHBondContact OE2-CE1 3.47Å; E35-Y186 VanDerWaalsContact OE2-CZ 3.23Å; E35-Y186 PolarHBondContact OE2-OH 3.26Å; E35-K190 IonicContact OE1-NZ 3.69Å; E35-K190 PolarHBondContact OE1-NZ 3.28Å; E35-K190 IonicContact OE2-NZ 2.69Å
36H94.6Very high93.8Very high13 Ų1355.4 Ų55.46%0.0628%0.278CS..SBendtrans-11656.6-174.9-61.3-82.9000111.5L32 I33 N38 V39 F40L32-H36 WeakPolarHBondContact O-CB 3.43Å; L32-H36 PolarHBondContact O-CD2 3.27Å; L32-H36 PolarHBondContact O-N 3.42Å; I33-H36 CarbonylContact O-C 3.57Å; H36-N38 PolarHBondContact O-N 3.48Å; H36-V39 HydrophobicContact CB-CB 3.98Å; H36-V39 HydrophobicContact CB-CG2 3.98Å; H36-V39 WeakPolarHBondContact O-CB 3.48Å; H36-V39 PolarHBondContact O-N 3.37Å; H36-F40 HydrophobicContact CB-CD2 3.91Å; H36-F40 HydrophobicContact CB-CE2 3.65Å
37E91Very high94.1Very high143 Ų14352.1 Ų52.167%0.66826%0.255SS*.THydrogen-bonded Turntrans-52138.2175.6-66.7-172.8177.400110.7I33 V39I33-E37 PolarHBondContact O-N 2.9Å; E37-V39 PolarHBondContact O-N 3.5Å
38N91.5Very high94.3Very high117 Ų11749.6 Ų49.663%0.62624%0.239SC*.THydrogen-bonded Turntrans59.722.4-178-53.2-57.1000114.8H36 L104 K204H36-N38 PolarHBondContact O-N 3.48Å; N38-L104 VanDerWaalsContact C-CD2 3.43Å; N38-L104 WeakPolarHBondContact O-CD2 3.38Å; N38-K204 WeakPolarHBondContact O-CE 3.38Å; N38-K204 PolarHBondContact O-NZ 2.81Å
39V96.6Very high94.1Very high4 Ų450.8 Ų50.82%0.02424%0.243CC..THydrogen-bonded Turntrans-104.3-33.1170178.20000111.8H36 E37 L104 I105 I197 V200 K201H36-V39 HydrophobicContact CB-CB 3.98Å; H36-V39 HydrophobicContact CB-CG2 3.98Å; H36-V39 WeakPolarHBondContact O-CB 3.48Å; H36-V39 PolarHBondContact O-N 3.37Å; E37-V39 PolarHBondContact O-N 3.5Å; V39-L104 WeakPolarHBondContact O-CA 3.43Å; V39-I105 HydrophobicContact CG1-CD1 4Å; V39-I105 PolarHBondContact O-N 3.34Å; V39-I197 HydrophobicContact CG1-CB 4.4Å; V39-I197 HydrophobicContact CG1-CG1 4.13Å; V39-I197 HydrophobicContact CG1-CG2 4.35Å; V39-V200 HydrophobicContact CG1-CB 4.26Å; V39-V200 HydrophobicContact CG1-CG1 4.25Å; V39-K201 HydrophobicContact CG2-CG 4.19Å
40F96.4Very high94Very high15 Ų1557.3 Ų57.37%0.06628%0.278CS..EExtended strand (participates in β ladder)trans-118.4152.8-173.5-61.6-82.5000111.9L32 I33 H36 I105 I107 L193 I197L32-F40 HydrophobicContact CD1-CE2 4.05Å; L32-F40 HydrophobicContact CD1-CZ 4.18Å; L32-F40 HydrophobicContact CD2-CD1 4.46Å; L32-F40 HydrophobicContact CD2-CD2 4.37Å; L32-F40 HydrophobicContact CD2-CE1 4.05Å; L32-F40 HydrophobicContact CD2-CE2 3.95Å; L32-F40 HydrophobicContact CD2-CZ 3.77Å; L32-F40 HydrophobicContact CG-CD2 4.21Å; L32-F40 HydrophobicContact CG-CE2 3.72Å; L32-F40 HydrophobicContact CG-CZ 4.01Å; I33-F40 HydrophobicContact CG1-CB 4.25Å; H36-F40 HydrophobicContact CB-CD2 3.91Å; H36-F40 HydrophobicContact CB-CE2 3.65Å; F40-I105 WeakPolarHBondContact CA-O 3.25Å; F40-I105 HydrophobicContact CD1-CB 3.64Å; F40-I105 HydrophobicContact CD1-CD1 4.27Å; F40-I105 HydrophobicContact CD1-CG2 3.74Å; F40-I105 HydrophobicContact CE1-CB 3.9Å; F40-I105 HydrophobicContact CE1-CD1 3.72Å; F40-I105 HydrophobicContact CE1-CG1 4.42Å; F40-I105 HydrophobicContact CE1-CG2 3.81Å; F40-I105 HydrophobicContact CZ-CD1 4.19Å; F40-I107 HydrophobicContact CB-CD1 3.68Å; F40-I107 HydrophobicContact CB-CG1 4.26Å; F40-I107 HydrophobicContact CD1-CD1 3.78Å; F40-I107 HydrophobicContact CD1-CG1 3.93Å; F40-I107 HydrophobicContact CG-CD1 3.93Å; F40-I107 HydrophobicContact CG-CG1 4.48Å; F40-L193 HydrophobicContact CE1-CD1 4.26Å; F40-L193 HydrophobicContact CZ-CD1 4.23Å; F40-I197 HydrophobicContact CE2-CD1 4.22Å; F40-I197 HydrophobicContact CE2-CG1 3.99Å; F40-I197 HydrophobicContact CZ-CD1 3.88Å; F40-I197 HydrophobicContact CZ-CG1 3.55Å
41G94.2Very high93.9Very high14 Ų1453.2 Ų53.214%0.14427%0.267CS..EExtended strand (participates in β ladder)trans-141.2146.5166.400000110.8I105 C106 I107G41-I105 PolarHBondContact N-O 2.84Å; G41-C106 CarbonylContact O-C 3.58Å; G41-C106 WeakPolarHBondContact O-CA 3.49Å; G41-I107 PolarHBondContact O-N 2.9Å
42F92.8Very high93.4Very high96 Ų9656.8 Ų56.842%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-82.3135.9175.7-79.3-76.1000111.3L29 I33 V44 V99 I107L29-F42 HydrophobicContact CB-CZ 4.14Å; L29-F42 HydrophobicContact CD1-CE1 4.05Å; L29-F42 HydrophobicContact CD1-CZ 4.26Å; I33-F42 HydrophobicContact CD1-CD2 3.8Å; I33-F42 HydrophobicContact CD1-CE2 3Å; I33-F42 HydrophobicContact CD1-CZ 3.44Å; I33-F42 VanDerWaalsContact CD1-CZ 3.44Å; F42-V44 PolarHBondContact O-N 3.38Å; F42-V99 WeakPolarHBondContact O-CG2 3.48Å; F42-I107 HydrophobicContact CD1-CB 3.98Å; F42-I107 HydrophobicContact CD1-CG2 3.76Å; F42-I107 HydrophobicContact CE1-CB 4.21Å; F42-I107 HydrophobicContact CE1-CG2 3.6Å
43S92.5Very high92.9Very high9 Ų963.3 Ų63.36%0.06332%0.322CS..  trans-73.4110.6158.5173.60000108.3S45 T91 A95 I107S43-S45 PolarHBondContact O-N 2.95Å; S43-T91 WeakPolarHBondContact OG-CG2 3.4Å; S43-A95 WeakPolarHBondContact OG-CB 3.35Å; S43-I107 PolarHBondContact N-O 3.01Å
44V91.4Very high92.7Very high28 Ų2864.3 Ų64.317%0.1735%0.345CS..  trans-74.1108.9173.1-175.70000108.1F42 H62F42-V44 PolarHBondContact O-N 3.38Å; V44-H62 PolarHBondContact O-CD2 3.09Å
45S91.8Very high92.3Very high13 Ų1358.4 Ų58.49%0.09132%0.32CS..  trans-72159.4-179.4-63.60000111.8S43 Y61 H62S43-S45 PolarHBondContact O-N 2.95Å; S45-Y61 CarbonylContact O-C 3.42Å; S45-Y61 VanDerWaalsContact O-CA 3.25Å; S45-Y61 WeakPolarHBondContact O-CA 3.43Å; S45-Y61 WeakPolarHBondContact O-CB 3.35Å; S45-Y61 WeakPolarHBondContact O-CD1 3.26Å; S45-H62 PolarHBondContact O-N 3.21Å
46H95.9Very high92.2Very high34 Ų3459 Ų5916%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-90.4149.5169.5-66.853.9000110.3H62 V64 M69 F78 Y89 G90H46-H62 CarbonylContact C-O 3.5Å; H46-H62 VanDerWaalsContact CA-O 3.26Å; H46-H62 WeakPolarHBondContact CA-O 3.38Å; H46-H62 HydrophobicContact CB-CB 4.35Å; H46-H62 VanDerWaalsContact CD2-CB 3.47Å; H46-H62 WeakPolarHBondContact CD2-CB 3.5Å; H46-H62 AromaticContact CE1-CD2 3.41Å; H46-H62 PolarHBondContact CE1-CD2 3.36Å; H46-H62 VanDerWaalsContact CE1-CD2 3.41Å; H46-H62 AromaticContact CE1-CG 3.66Å; H46-H62 AromaticContact ND1-CD2 3.78Å; H46-H62 WeakPolarHBondContact NE2-CB 3.25Å; H46-H62 AromaticContact NE2-CD2 3.99Å; H46-H62 AromaticContact NE2-CG 3.77Å; H46-V64 HydrophobicContact CB-CG2 4.3Å; H46-M69 HydrophobicContact CB-CE 4.11Å; H46-M69 HydrophobicContact CB-SD 4.36Å; H46-F78 HydrophobicContact CB-CE1 3.88Å; H46-F78 HydrophobicContact CB-CZ 3.92Å; H46-F78 AromaticContact CG-CE1 3.99Å; H46-F78 AromaticContact CG-CZ 3.84Å; H46-Y89 WeakPolarHBondContact O-CA 3.44Å; H46-G90 PolarHBondContact N-O 3.48Å; H46-G90 PolarHBondContact O-N 3.38Å; H46-G90 VanDerWaalsContact O-N 3.1Å
47T95.4Very high92.2Very high0 Ų063.6 Ų63.60%035%0.348CS..EExtended strand (participates in β ladder)trans-147151.2170.2-171.60000112.6R49 Y61 H62 Y63 V64 L88 Y89T47-R49 HydrophobicContact CG2-CG 3.86Å; T47-R49 PolarHBondContact OG1-N 2.88Å; T47-Y61 HydrophobicContact CG2-CD1 3.82Å; T47-Y61 HydrophobicContact CG2-CD2 4.36Å; T47-Y61 HydrophobicContact CG2-CG 3.68Å; T47-H62 PolarHBondContact N-O 3.11Å; T47-Y63 HydrophobicContact CG2-CD1 3.55Å; T47-Y63 HydrophobicContact CG2-CE1 3.68Å; T47-V64 PolarHBondContact O-N 3.39Å; T47-L88 WeakPolarHBondContact CA-O 3.38Å; T47-L88 PolarHBondContact OG1-O 3.42Å; T47-L88 VanDerWaalsContact OG1-O 3.09Å; T47-Y89 HydrophobicContact CG2-CE1 4.44Å; T47-Y89 WeakPolarHBondContact OG1-CD1 3.04Å; T47-Y89 WeakPolarHBondContact OG1-CE1 3.23Å
48T96.9Very high92.2Very high21 Ų2158.5 Ų58.513%0.12933%0.334CS..SBendtrans-91.4-4.5172.566.60000113.9V64 R66 M69 N87 L88T48-V64 WeakPolarHBondContact CA-O 3.25Å; T48-R66 HydrophobicContact CG2-CB 4.05Å; T48-R66 HydrophobicContact CG2-CG 4.3Å; T48-M69 HydrophobicContact CG2-CB 4.07Å; T48-M69 HydrophobicContact CG2-SD 3.72Å; T48-N87 WeakPolarHBondContact OG1-CA 3.36Å; T48-L88 HydrophobicContact CG2-CB 3.78Å; T48-L88 HydrophobicContact CG2-CD1 4.31Å; T48-L88 HydrophobicContact CG2-CG 4.33Å; T48-L88 PolarHBondContact N-O 3.45Å; T48-L88 PolarHBondContact OG1-N 3.25Å
49R93.4Very high92Very high25 Ų2560.6 Ų60.69%0.09433%0.333CS..SBendtrans-72.5159.5175.581.1159.7168.587.31.2110.5T47 E55 Y63 N87T47-R49 HydrophobicContact CG2-CG 3.86Å; T47-R49 PolarHBondContact OG1-N 2.88Å; R49-E55 IonicContact CZ-OE1 2.71Å; R49-E55 IonicContact CZ-OE2 3.47Å; R49-E55 IonicContact NH1-OE1 3.12Å; R49-E55 IonicContact NH1-OE2 2.74Å; R49-E55 PolarHBondContact NH1-OE2 3.36Å; R49-E55 IonicContact NH2-OE1 3.95Å; R49-E55 PolarHBondContact NH2-OE1 3.37Å; R49-E55 IonicContact NH2-OE2 3.55Å; R49-E55 PolarHBondContact NH2-OE2 3.49Å; R49-Y63 VanDerWaalsContact O-CD1 3.27Å; R49-Y63 WeakPolarHBondContact O-CD1 3.29Å; R49-N87 VanDerWaalsContact CA-OD1 3.23Å; R49-N87 WeakPolarHBondContact CA-OD1 3.37Å; R49-N87 HydrophobicContact CB-CB 4.02Å; R49-N87 VanDerWaalsContact CB-CG 3.5Å; R49-N87 WeakPolarHBondContact CB-OD1 3.11Å; R49-N87 PolarHBondContact N-OD1 3.26Å
50N91.1Very high91.5Very high140 Ų14063.3 Ų63.375%0.74935%0.347SS*.PPolyproline II helixtrans-70.4146.2169.4-66.8-38.3000111.5
51P90.8Very high91.3Very high69 Ų6965.7 Ų65.745%0.44836%0.356SS..PPolyproline II helixtrans-58.5144.5170.8-0.84.7000111.3E55 Y63P51-E55 HydrophobicContact CB-CB 4.4Å; P51-Y63 VanDerWaalsContact CA-CE1 3.48Å; P51-Y63 HydrophobicContact CB-CD1 4.23Å; P51-Y63 HydrophobicContact CB-CD2 4.19Å; P51-Y63 HydrophobicContact CB-CE1 3.85Å; P51-Y63 HydrophobicContact CB-CE2 3.85Å; P51-Y63 HydrophobicContact CB-CG 4.37Å; P51-Y63 HydrophobicContact CG-CD1 4.02Å; P51-Y63 HydrophobicContact CG-CD2 3.98Å; P51-Y63 HydrophobicContact CG-CE1 4.17Å; P51-Y63 HydrophobicContact CG-CE2 4.16Å; P51-Y63 HydrophobicContact CG-CG 3.91Å
52R85.6Confident91.4Very high139 Ų13967.9 Ų67.953%0.52536%0.363SS..PPolyproline II helixtrans-84.6160.1170-73.3161.8-177.4173.70.3109.9G54 E55R52-G54 PolarHBondContact O-N 3.03Å; R52-E55 HydrophobicContact CB-CG 4.1Å; R52-E55 PolarHBondContact N-OE2 3.37Å; R52-E55 WeakPolarHBondContact O-CB 3.4Å; R52-E55 PolarHBondContact O-N 3.16Å
53P86.1Confident91.6Very high138 Ų13865 Ų6590%0.89635%0.349SS*.THydrogen-bonded Turntrans-52.3123.7172.8-26.235000111.7
54G88.6Confident91.8Very high73 Ų7366.8 Ų66.875%0.75336%0.36SS*.THydrogen-bonded Turntrans89.7-5.1-179.200000115.8R52R52-G54 PolarHBondContact O-N 3.03Å
55E86.3Confident92.1Very high44 Ų4469.4 Ų69.421%0.20638%0.376CS..  trans-85.3144.3170.9-65.1-179.6158.900111.5R49 P51 R52 D60 Y63R49-E55 IonicContact CZ-OE1 2.71Å; R49-E55 IonicContact CZ-OE2 3.47Å; R49-E55 IonicContact NH1-OE1 3.12Å; R49-E55 IonicContact NH1-OE2 2.74Å; R49-E55 PolarHBondContact NH1-OE2 3.36Å; R49-E55 IonicContact NH2-OE1 3.95Å; R49-E55 PolarHBondContact NH2-OE1 3.37Å; R49-E55 IonicContact NH2-OE2 3.55Å; R49-E55 PolarHBondContact NH2-OE2 3.49Å; P51-E55 HydrophobicContact CB-CB 4.4Å; R52-E55 HydrophobicContact CB-CG 4.1Å; R52-E55 PolarHBondContact N-OE2 3.37Å; R52-E55 WeakPolarHBondContact O-CB 3.4Å; R52-E55 PolarHBondContact O-N 3.16Å; E55-D60 WeakPolarHBondContact CA-OD2 3.17Å; E55-D60 HydrophobicContact CB-CB 4.05Å; E55-D60 HydrophobicContact CG-CB 4.22Å; E55-Y63 VanDerWaalsContact CB-OH 3.23Å; E55-Y63 WeakPolarHBondContact CB-OH 3.45Å; E55-Y63 PolarHBondContact OE2-OH 3.34Å
56E93.5Very high92.4Very high103 Ų10373.6 Ų73.648%0.48139%0.39SS..  trans-121.1134.7-175.2-70169.4-178.700111.2G58 R59 D60E56-G58 PolarHBondContact O-N 3.45Å; E56-R59 HydrophobicContact CB-CB 4.02Å; E56-R59 PolarHBondContact O-N 3.08Å; E56-R59 VanDerWaalsContact O-N 3.16Å; E56-R59 IonicContact OE1-NH1 3.54Å; E56-R59 WeakPolarHBondContact OE2-CD 3.5Å; E56-R59 IonicContact OE2-CZ 3.79Å; E56-R59 IonicContact OE2-NE 3.91Å; E56-R59 IonicContact OE2-NH1 2.86Å; E56-R59 PolarHBondContact OE2-NH1 3.28Å; E56-D60 PolarHBondContact N-OD2 2.85Å; E56-D60 PolarHBondContact O-N 3.11Å
57N95.2Very high92.5Very high110 Ų11078.7 Ų78.759%0.58841%0.414SS*.BIsolated β-bridgetrans-64.9131.7176.5-175.457.9000111.4R59 Y61 H62 Y63N57-R59 PolarHBondContact O-N 3.07Å; N57-Y61 CarbonylContact C-O 3.57Å; N57-Y61 WeakPolarHBondContact CA-O 3.46Å; N57-Y61 PolarHBondContact OD1-O 3.32Å; N57-H62 WeakPolarHBondContact OD1-CA 3.32Å; N57-Y63 HydrophobicContact CB-CD2 3.97Å; N57-Y63 PolarHBondContact OD1-N 3.21Å
58G90Very high92.6Very high37 Ų3781.3 Ų81.338%0.38144%0.435SS..THydrogen-bonded Turntrans80.40.7-176.100000114.5E56 Y61E56-G58 PolarHBondContact O-N 3.45Å; G58-Y61 PolarHBondContact N-O 3.36Å
59R88Confident92.6Very high160 Ų16080.4 Ų80.460%0.60443%0.429SS*.THydrogen-bonded Turntrans-115.7-57.3173.3178-175.5170.9-171.2-7.1111.4E56 N57E56-R59 HydrophobicContact CB-CB 4.02Å; E56-R59 PolarHBondContact O-N 3.08Å; E56-R59 VanDerWaalsContact O-N 3.16Å; E56-R59 IonicContact OE1-NH1 3.54Å; E56-R59 WeakPolarHBondContact OE2-CD 3.5Å; E56-R59 IonicContact OE2-CZ 3.79Å; E56-R59 IonicContact OE2-NE 3.91Å; E56-R59 IonicContact OE2-NH1 2.86Å; E56-R59 PolarHBondContact OE2-NH1 3.28Å; N57-R59 PolarHBondContact O-N 3.07Å
60D86.6Confident92.8Very high61 Ų6183 Ų8333%0.32644%0.443SS..THydrogen-bonded Turntrans-85.9-49.6-180-63-84.5000110.4E55 E56E55-D60 WeakPolarHBondContact CA-OD2 3.17Å; E55-D60 HydrophobicContact CB-CB 4.05Å; E55-D60 HydrophobicContact CG-CB 4.22Å; E56-D60 PolarHBondContact N-OD2 2.85Å; E56-D60 PolarHBondContact O-N 3.11Å
61Y92.2Very high93.2Very high66 Ų6678.6 Ų78.626%0.25943%0.426SS..BIsolated β-bridgetrans-147.9163171.5-70.2-91.8000110.3S45 T47 N57 G58 Y63 Y89S45-Y61 CarbonylContact O-C 3.42Å; S45-Y61 VanDerWaalsContact O-CA 3.25Å; S45-Y61 WeakPolarHBondContact O-CA 3.43Å; S45-Y61 WeakPolarHBondContact O-CB 3.35Å; S45-Y61 WeakPolarHBondContact O-CD1 3.26Å; T47-Y61 HydrophobicContact CG2-CD1 3.82Å; T47-Y61 HydrophobicContact CG2-CD2 4.36Å; T47-Y61 HydrophobicContact CG2-CG 3.68Å; N57-Y61 CarbonylContact C-O 3.57Å; N57-Y61 WeakPolarHBondContact CA-O 3.46Å; N57-Y61 PolarHBondContact OD1-O 3.32Å; G58-Y61 PolarHBondContact N-O 3.36Å; Y61-Y63 HydrophobicContact CD2-CE1 4.38Å; Y61-Y63 HydrophobicContact CG-CE1 4.46Å; Y61-Y89 AromaticContact CE1-CD1 3.94Å; Y61-Y89 HydrophobicContact CE1-CD1 3.94Å; Y61-Y89 HydrophobicContact CE1-CE1 4.18Å
62H95.4Very high93.5Very high59 Ų5976 Ų7627%0.27341%0.41SS..EExtended strand (participates in β ladder)trans-85.2103.8155.6-65.5-74.3000108.7V44 S45 H46 T47 N57 V64V44-H62 PolarHBondContact O-CD2 3.09Å; S45-H62 PolarHBondContact O-N 3.21Å; H46-H62 CarbonylContact C-O 3.5Å; H46-H62 VanDerWaalsContact CA-O 3.26Å; H46-H62 WeakPolarHBondContact CA-O 3.38Å; H46-H62 HydrophobicContact CB-CB 4.35Å; H46-H62 VanDerWaalsContact CD2-CB 3.47Å; H46-H62 WeakPolarHBondContact CD2-CB 3.5Å; H46-H62 AromaticContact CE1-CD2 3.41Å; H46-H62 PolarHBondContact CE1-CD2 3.36Å; H46-H62 VanDerWaalsContact CE1-CD2 3.41Å; H46-H62 AromaticContact CE1-CG 3.66Å; H46-H62 AromaticContact ND1-CD2 3.78Å; H46-H62 WeakPolarHBondContact NE2-CB 3.25Å; H46-H62 AromaticContact NE2-CD2 3.99Å; H46-H62 AromaticContact NE2-CG 3.77Å; T47-H62 PolarHBondContact N-O 3.11Å; N57-H62 WeakPolarHBondContact OD1-CA 3.32Å; H62-V64 PolarHBondContact O-N 2.88Å
63Y96.6Very high94Very high36 Ų3670.8 Ų70.814%0.14139%0.392CS..EExtended strand (participates in β ladder)trans-81.4115.9179.3-60.1-80.4000109.3T47 R49 P51 E55 N57 Y61T47-Y63 HydrophobicContact CG2-CD1 3.55Å; T47-Y63 HydrophobicContact CG2-CE1 3.68Å; R49-Y63 VanDerWaalsContact O-CD1 3.27Å; R49-Y63 WeakPolarHBondContact O-CD1 3.29Å; P51-Y63 VanDerWaalsContact CA-CE1 3.48Å; P51-Y63 HydrophobicContact CB-CD1 4.23Å; P51-Y63 HydrophobicContact CB-CD2 4.19Å; P51-Y63 HydrophobicContact CB-CE1 3.85Å; P51-Y63 HydrophobicContact CB-CE2 3.85Å; P51-Y63 HydrophobicContact CB-CG 4.37Å; P51-Y63 HydrophobicContact CG-CD1 4.02Å; P51-Y63 HydrophobicContact CG-CD2 3.98Å; P51-Y63 HydrophobicContact CG-CE1 4.17Å; P51-Y63 HydrophobicContact CG-CE2 4.16Å; P51-Y63 HydrophobicContact CG-CG 3.91Å; E55-Y63 VanDerWaalsContact CB-OH 3.23Å; E55-Y63 WeakPolarHBondContact CB-OH 3.45Å; E55-Y63 PolarHBondContact OE2-OH 3.34Å; N57-Y63 HydrophobicContact CB-CD2 3.97Å; N57-Y63 PolarHBondContact OD1-N 3.21Å; Y61-Y63 HydrophobicContact CD2-CE1 4.38Å; Y61-Y63 HydrophobicContact CG-CE1 4.46Å
64V97.7Very high94.5Very high46 Ų4670 Ų7028%0.27938%0.38SS..  trans-132.1159.7-174.3-66.60000110.6H46 T47 T48 H62 M69H46-V64 HydrophobicContact CB-CG2 4.3Å; T47-V64 PolarHBondContact O-N 3.39Å; T48-V64 WeakPolarHBondContact CA-O 3.25Å; H62-V64 PolarHBondContact O-N 2.88Å; V64-M69 HydrophobicContact CG2-CB 3.87Å; V64-M69 HydrophobicContact CG2-CG 4.34Å; V64-M69 HydrophobicContact CG2-SD 4.14Å
65T97.9Very high94.9Very high84 Ų8472 Ų7252%0.51537%0.374SS..  trans-71.8158172.568.50000110.8E67 A68 M69T65-E67 VanDerWaalsContact C-N 3.27Å; T65-E67 WeakPolarHBondContact CB-OE2 3.44Å; T65-E67 PolarHBondContact O-N 3.04Å; T65-E67 PolarHBondContact OG1-OE2 3.49Å; T65-A68 PolarHBondContact O-N 3.47Å; T65-A68 WeakPolarHBondContact OG1-CB 3.38Å; T65-A68 PolarHBondContact OG1-N 2.86Å; T65-M69 PolarHBondContact O-N 3.02Å
66R97.3Very high95.3Very high101 Ų10171.5 Ų71.538%0.38138%0.381SS..Hα-helixtrans-61.4-39.5178-166.1175.7-159.4133.75111.7T48 M69 Q70 E83 G86 L88T48-R66 HydrophobicContact CG2-CB 4.05Å; T48-R66 HydrophobicContact CG2-CG 4.3Å; R66-M69 PolarHBondContact O-N 2.87Å; R66-Q70 WeakPolarHBondContact O-CB 3.38Å; R66-Q70 PolarHBondContact O-N 3.48Å; R66-E83 IonicContact CZ-OE1 2.74Å; R66-E83 IonicContact NH1-OE1 2.66Å; R66-E83 IonicContact NH2-OE1 3.2Å; R66-E83 PolarHBondContact NH2-OE1 3.48Å; R66-E83 IonicContact NH2-OE2 3.77Å; R66-E83 PolarHBondContact NH2-OE2 3.17Å; R66-E83 VanDerWaalsContact NH2-OE2 3.12Å; R66-G86 PolarHBondContact NH1-O 3.3Å; R66-L88 HydrophobicContact CG-CD1 3.95Å
67E97.9Very high95.5Very high141 Ų14171.1 Ų71.166%0.65938%0.379SS*.Hα-helixtrans-64.6-45.3179.8-59.969-146.200111T65 Q70 A71T65-E67 VanDerWaalsContact C-N 3.27Å; T65-E67 WeakPolarHBondContact CB-OE2 3.44Å; T65-E67 PolarHBondContact O-N 3.04Å; T65-E67 PolarHBondContact OG1-OE2 3.49Å; E67-Q70 PolarHBondContact O-N 3.26Å; E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 3.3Å
68A97.6Very high95.5Very high54 Ų5466.9 Ų66.945%0.44636%0.355SS..Hα-helixtrans-65.3-44178.400000111.4T65 Q70 A71 A72T65-A68 PolarHBondContact O-N 3.47Å; T65-A68 WeakPolarHBondContact OG1-CB 3.38Å; T65-A68 PolarHBondContact OG1-N 2.86Å; A68-Q70 PolarHBondContact O-N 3.37Å; A68-A71 PolarHBondContact O-N 3.46Å; A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.08Å
69M97.6Very high95.8Very high2 Ų266.3 Ų66.31%0.0134%0.343CS..Hα-helixtrans-63.3-42.8177.4-169.3163.4-177.100111.8H46 T48 V64 T65 R66 A71 A72 I73 F78 L88H46-M69 HydrophobicContact CB-CE 4.11Å; H46-M69 HydrophobicContact CB-SD 4.36Å; T48-M69 HydrophobicContact CG2-CB 4.07Å; T48-M69 HydrophobicContact CG2-SD 3.72Å; V64-M69 HydrophobicContact CG2-CB 3.87Å; V64-M69 HydrophobicContact CG2-CG 4.34Å; V64-M69 HydrophobicContact CG2-SD 4.14Å; T65-M69 PolarHBondContact O-N 3.02Å; R66-M69 PolarHBondContact O-N 2.87Å; M69-A71 PolarHBondContact O-N 3.16Å; M69-A72 PolarHBondContact O-N 3.22Å; M69-I73 HydrophobicContact CG-CD1 4.02Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.26Å; M69-I73 PolarHBondContact O-N 2.83Å; M69-F78 HydrophobicContact CE-CE1 3.85Å; M69-F78 HydrophobicContact CE-CZ 4.03Å; M69-F78 HydrophobicContact CG-CE2 4.36Å; M69-F78 HydrophobicContact CG-CZ 4.11Å; M69-L88 HydrophobicContact CE-CB 4.04Å; M69-L88 HydrophobicContact CG-CD1 4.46Å; M69-L88 HydrophobicContact SD-CB 3.6Å; M69-L88 VanDerWaalsContact SD-CB 3.6Å
70Q97.5Very high96.1Very high80 Ų8059.1 Ų59.137%0.37432%0.317SS..Hα-helixtrans-64.4-39.7178.2-168.863.264.100112.1R66 E67 A68 I73 N74R66-Q70 WeakPolarHBondContact O-CB 3.38Å; R66-Q70 PolarHBondContact O-N 3.48Å; E67-Q70 PolarHBondContact O-N 3.26Å; A68-Q70 PolarHBondContact O-N 3.37Å; Q70-I73 PolarHBondContact O-N 3.35Å; Q70-N74 PolarHBondContact NE2-OD1 2.9Å; Q70-N74 PolarHBondContact O-N 2.65Å; Q70-N74 PolarHBondContact O-ND2 3.06Å; Q70-N74 PolarHBondContact O-OD1 3.1Å
71A98Very high96.5Very high48 Ų4859 Ų5940%0.39732%0.316SS..Hα-helixtrans-62-46.5175.900000111.4E67 A68 M69 I73 N74 N75E67-A71 WeakPolarHBondContact O-CB 3.43Å; E67-A71 PolarHBondContact O-N 3.3Å; A68-A71 PolarHBondContact O-N 3.46Å; M69-A71 PolarHBondContact O-N 3.16Å; A71-I73 PolarHBondContact O-N 3.02Å; A71-N74 PolarHBondContact O-N 2.95Å; A71-N75 VanDerWaalsContact O-CG 3.23Å; A71-N75 PolarHBondContact O-N 3.35Å; A71-N75 PolarHBondContact O-OD1 2.82Å
72A97.3Very high96.3Very high15 Ų1556.1 Ų56.112%0.12431%0.306CS..Hα-helixtrans-66.2-34.8177.700000112.9A68 M69 N75 G76 E77 F78A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.08Å; M69-A72 PolarHBondContact O-N 3.22Å; A72-N75 PolarHBondContact O-N 2.82Å; A72-G76 PolarHBondContact O-N 2.81Å; A72-E77 HydrophobicContact CB-CB 4.3Å; A72-E77 WeakPolarHBondContact O-CB 3.38Å; A72-E77 PolarHBondContact O-N 3.49Å; A72-F78 HydrophobicContact CB-CD2 4.27Å; A72-F78 HydrophobicContact CB-CE2 3.7Å
73I96.4Very high96Very high28 Ų2858.6 Ų58.614%0.14432%0.317CS..Hα-helixtrans-60.4-48.1170.2-71.9164.3000110.2M69 Q70 A71 N75 G76 F78 N81M69-I73 HydrophobicContact CG-CD1 4.02Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.26Å; M69-I73 PolarHBondContact O-N 2.83Å; Q70-I73 PolarHBondContact O-N 3.35Å; A71-I73 PolarHBondContact O-N 3.02Å; I73-N75 PolarHBondContact O-N 3.17Å; I73-G76 PolarHBondContact O-N 3.33Å; I73-F78 HydrophobicContact CB-CD2 4.45Å; I73-F78 HydrophobicContact CG1-CB 4.4Å; I73-F78 HydrophobicContact CG1-CD2 3.62Å; I73-F78 HydrophobicContact CG1-CE2 4.12Å; I73-F78 HydrophobicContact CG1-CG 4.05Å; I73-N81 HydrophobicContact CD1-CB 3.89Å; I73-N81 HydrophobicContact CG1-CB 4.29Å
74N96.8Very high95.1Very high121 Ų12161.3 Ų61.365%0.64733%0.33SS*.Hα-helixtrans-64.5-29.2-180-65-12.8000112.4Q70 A71 G76Q70-N74 PolarHBondContact NE2-OD1 2.9Å; Q70-N74 PolarHBondContact O-N 2.65Å; Q70-N74 PolarHBondContact O-ND2 3.06Å; Q70-N74 PolarHBondContact O-OD1 3.1Å; A71-N74 PolarHBondContact O-N 2.95Å; N74-G76 PolarHBondContact O-N 3.2Å
75N97.3Very high94.1Very high117 Ų11763.5 Ų63.563%0.62635%0.348SS*.THydrogen-bonded Turntrans-76.9-3.2173-66.6-13.2000113.6A71 A72 I73 E77A71-N75 VanDerWaalsContact O-CG 3.23Å; A71-N75 PolarHBondContact O-N 3.35Å; A71-N75 PolarHBondContact O-OD1 2.82Å; A72-N75 PolarHBondContact O-N 2.82Å; I73-N75 PolarHBondContact O-N 3.17Å; N75-E77 HydrophobicContact CB-CG 3.95Å; N75-E77 WeakPolarHBondContact CB-OE1 3.4Å; N75-E77 PolarHBondContact ND2-OE1 2.91Å; N75-E77 VanDerWaalsContact ND2-OE1 3.1Å
76G95.6Very high93.4Very high33 Ų3361.4 Ų61.434%0.3434%0.343SS..THydrogen-bonded Turntrans71.927.4-179.500000113.7A72 I73 N74 F78 K93A72-G76 PolarHBondContact O-N 2.81Å; I73-G76 PolarHBondContact O-N 3.33Å; N74-G76 PolarHBondContact O-N 3.2Å; G76-F78 VanDerWaalsContact C-N 3.32Å; G76-K93 VanDerWaalsContact O-CE 3.24Å; G76-K93 WeakPolarHBondContact O-CE 3.38Å; G76-K93 PolarHBondContact O-NZ 2.97Å
77E96.8Very high93Very high94 Ų9458.8 Ų58.844%0.43934%0.336SS..  trans-80.9-14.7-179.1-62.4174.3-146.600112.9A72 N75 K93A72-E77 HydrophobicContact CB-CB 4.3Å; A72-E77 WeakPolarHBondContact O-CB 3.38Å; A72-E77 PolarHBondContact O-N 3.49Å; N75-E77 HydrophobicContact CB-CG 3.95Å; N75-E77 WeakPolarHBondContact CB-OE1 3.4Å; N75-E77 PolarHBondContact ND2-OE1 2.91Å; N75-E77 VanDerWaalsContact ND2-OE1 3.1Å; E77-K93 WeakPolarHBondContact O-CG 3.39Å; E77-K93 PolarHBondContact O-N 3.03Å
78F96.2Very high92.9Very high21 Ų2152.6 Ų52.69%0.09231%0.307CS..EExtended strand (participates in β ladder)trans-98.5140.7179.4-75.6-93.5000112.3H46 M69 A72 I73 G76H46-F78 HydrophobicContact CB-CE1 3.88Å; H46-F78 HydrophobicContact CB-CZ 3.92Å; H46-F78 AromaticContact CG-CE1 3.99Å; H46-F78 AromaticContact CG-CZ 3.84Å; M69-F78 HydrophobicContact CE-CE1 3.85Å; M69-F78 HydrophobicContact CE-CZ 4.03Å; M69-F78 HydrophobicContact CG-CE2 4.36Å; M69-F78 HydrophobicContact CG-CZ 4.11Å; A72-F78 HydrophobicContact CB-CD2 4.27Å; A72-F78 HydrophobicContact CB-CE2 3.7Å; I73-F78 HydrophobicContact CB-CD2 4.45Å; I73-F78 HydrophobicContact CG1-CB 4.4Å; I73-F78 HydrophobicContact CG1-CD2 3.62Å; I73-F78 HydrophobicContact CG1-CE2 4.12Å; I73-F78 HydrophobicContact CG1-CG 4.05Å; G76-F78 VanDerWaalsContact C-N 3.32Å
79I95.1Very high92.6Very high25 Ų2552.1 Ų52.113%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-76.1-45169.6-63170.5000108.8M9 T91 K93 V96 I118 T121 L123M9-I79 HydrophobicContact CE-CD1 4.3Å; I79-T91 HydrophobicContact CD1-CG2 4.29Å; I79-T91 PolarHBondContact N-O 2.85Å; I79-K93 HydrophobicContact CD1-CG 4.47Å; I79-K93 HydrophobicContact CG1-CB 4.47Å; I79-K93 HydrophobicContact CG1-CG 3.69Å; I79-V96 HydrophobicContact CD1-CB 4.01Å; I79-V96 HydrophobicContact CD1-CG2 3.52Å; I79-I118 HydrophobicContact CG2-CG1 4.4Å; I79-T121 HydrophobicContact CG2-CG2 3.99Å; I79-T121 WeakPolarHBondContact O-CG2 3.28Å; I79-L123 HydrophobicContact CD1-CD1 4.33Å; I79-L123 HydrophobicContact CG2-CD2 4.36Å
80E94.1Very high92.5Very high10 Ų1052 Ų525%0.04729%0.294CS..EExtended strand (participates in β ladder)trans-145.8157.2175.864.375.5-14200109.9G90 T91 N117 I118E80-G90 VanDerWaalsContact O-CA 3.29Å; E80-G90 WeakPolarHBondContact O-CA 3.46Å; E80-T91 PolarHBondContact O-N 2.98Å; E80-T91 VanDerWaalsContact O-N 3.17Å; E80-T91 VanDerWaalsContact OE1-CB 3.25Å; E80-T91 WeakPolarHBondContact OE1-CB 3.04Å; E80-T91 PolarHBondContact OE1-N 3.38Å; E80-T91 PolarHBondContact OE1-OG1 2.86Å; E80-N117 HydrophobicContact CB-CB 3.66Å; E80-I118 HydrophobicContact CB-CG1 3.94Å; E80-I118 HydrophobicContact CG-CD1 3.95Å; E80-I118 HydrophobicContact CG-CG1 3.59Å
81N94.7Very high92.4Very high57 Ų5748.2 Ų48.231%0.30528%0.276SS..EExtended strand (participates in β ladder)trans-147.8153.6167.463.290.3000109.9I73 Y89 N117I73-N81 HydrophobicContact CD1-CB 3.89Å; I73-N81 HydrophobicContact CG1-CB 4.29Å; N81-Y89 CarbonylContact C-O 3.58Å; N81-Y89 WeakPolarHBondContact CA-O 3.23Å; N81-Y89 WeakPolarHBondContact CB-O 3.39Å; N81-N117 PolarHBondContact O-ND2 2.98Å
82A89.8Confident92.3Very high6 Ų646.5 Ų46.55%0.0526%0.261CS..EExtended strand (participates in β ladder)trans-147153.4176.700000110.5L88 Y89 Q113A82-L88 WeakPolarHBondContact O-CA 3.27Å; A82-Y89 PolarHBondContact N-O 2.97Å; A82-Y89 PolarHBondContact O-N 3.45Å; A82-Q113 HydrophobicContact CB-CB 4Å; A82-Q113 HydrophobicContact CB-CG 3.71Å
83E87.8Confident92.2Very high111 Ų11150.2 Ų50.252%0.51928%0.275SS..EExtended strand (participates in β ladder)trans-100.7125.3169.3-172.7162.8-17800109.9R66 G86 N87 L88R66-E83 IonicContact CZ-OE1 2.74Å; R66-E83 IonicContact NH1-OE1 2.66Å; R66-E83 IonicContact NH2-OE1 3.2Å; R66-E83 PolarHBondContact NH2-OE1 3.48Å; R66-E83 IonicContact NH2-OE2 3.77Å; R66-E83 PolarHBondContact NH2-OE2 3.17Å; R66-E83 VanDerWaalsContact NH2-OE2 3.12Å; E83-G86 WeakPolarHBondContact OE1-CA 3.36Å; E83-N87 WeakPolarHBondContact CA-O 3.15Å; E83-L88 HydrophobicContact CB-CD2 3.97Å; E83-L88 HydrophobicContact CG-CD2 4.33Å
84F78.1Confident92Very high94 Ų9451.8 Ų51.841%0.41229%0.292SS..EExtended strand (participates in β ladder)trans-132.4124.6177.2-179.1-97.6000110.1G86 N87 Y89F84-G86 PolarHBondContact O-N 3.4Å; F84-N87 PolarHBondContact N-O 3.4Å; F84-N87 PolarHBondContact O-N 2.67Å; F84-N87 VanDerWaalsContact O-N 3.1Å; F84-Y89 HydrophobicContact CB-CD2 4Å; F84-Y89 HydrophobicContact CB-CE2 3.89Å; F84-Y89 HydrophobicContact CD1-CE2 4.41Å
85S76.6Confident91.8Very high92 Ų9246.6 Ų46.664%0.64327%0.266SS*.THydrogen-bonded Turntrans49.644.6-179-57.70000113N87S85-N87 VanDerWaalsContact C-N 3.28Å; S85-N87 PolarHBondContact O-N 2.83Å; S85-N87 PolarHBondContact O-ND2 3.14Å; S85-N87 VanDerWaalsContact O-ND2 3.12Å
86G83.1Confident91.7Very high40 Ų4041 Ų4141%0.41224%0.236SC..THydrogen-bonded Turntrans77.81.8177.300000116.1R66 E83 F84R66-G86 PolarHBondContact NH1-O 3.3Å; E83-G86 WeakPolarHBondContact OE1-CA 3.36Å; F84-G86 PolarHBondContact O-N 3.4Å
87N89.8Confident91.5Very high46 Ų4644.2 Ų44.225%0.24624%0.242CC..EExtended strand (participates in β ladder)trans-115.9142.3179.6-63.7-78.7000110.7T48 R49 E83 F84 S85 Y89T48-N87 WeakPolarHBondContact OG1-CA 3.36Å; R49-N87 VanDerWaalsContact CA-OD1 3.23Å; R49-N87 WeakPolarHBondContact CA-OD1 3.37Å; R49-N87 HydrophobicContact CB-CB 4.02Å; R49-N87 VanDerWaalsContact CB-CG 3.5Å; R49-N87 WeakPolarHBondContact CB-OD1 3.11Å; R49-N87 PolarHBondContact N-OD1 3.26Å; E83-N87 WeakPolarHBondContact CA-O 3.15Å; F84-N87 PolarHBondContact N-O 3.4Å; F84-N87 PolarHBondContact O-N 2.67Å; F84-N87 VanDerWaalsContact O-N 3.1Å; S85-N87 VanDerWaalsContact C-N 3.28Å; S85-N87 PolarHBondContact O-N 2.83Å; S85-N87 PolarHBondContact O-ND2 3.14Å; S85-N87 VanDerWaalsContact O-ND2 3.12Å; N87-Y89 HydrophobicContact CB-CE2 3.78Å; N87-Y89 WeakPolarHBondContact O-CD2 3.31Å; N87-Y89 WeakPolarHBondContact O-CE2 3.38Å
88L94.3Very high91.3Very high10 Ų1042.3 Ų42.35%0.05224%0.242CC..EExtended strand (participates in β ladder)trans-80.8143.7172.3-61.2175.2000110.1T47 T48 R66 M69 A82 E83T47-L88 WeakPolarHBondContact CA-O 3.38Å; T47-L88 PolarHBondContact OG1-O 3.42Å; T47-L88 VanDerWaalsContact OG1-O 3.09Å; T48-L88 HydrophobicContact CG2-CB 3.78Å; T48-L88 HydrophobicContact CG2-CD1 4.31Å; T48-L88 HydrophobicContact CG2-CG 4.33Å; T48-L88 PolarHBondContact N-O 3.45Å; T48-L88 PolarHBondContact OG1-N 3.25Å; R66-L88 HydrophobicContact CG-CD1 3.95Å; M69-L88 HydrophobicContact CE-CB 4.04Å; M69-L88 HydrophobicContact CG-CD1 4.46Å; M69-L88 HydrophobicContact SD-CB 3.6Å; M69-L88 VanDerWaalsContact SD-CB 3.6Å; A82-L88 WeakPolarHBondContact O-CA 3.27Å; E83-L88 HydrophobicContact CB-CD2 3.97Å; E83-L88 HydrophobicContact CG-CD2 4.33Å
89Y92.8Very high91.2Very high44 Ų4441.9 Ų41.917%0.17324%0.241CC..EExtended strand (participates in β ladder)trans-132.4151.2171.3-63.1-95.4000108.6H46 T47 Y61 N81 A82 F84 N87H46-Y89 WeakPolarHBondContact O-CA 3.44Å; T47-Y89 HydrophobicContact CG2-CE1 4.44Å; T47-Y89 WeakPolarHBondContact OG1-CD1 3.04Å; T47-Y89 WeakPolarHBondContact OG1-CE1 3.23Å; Y61-Y89 AromaticContact CE1-CD1 3.94Å; Y61-Y89 HydrophobicContact CE1-CD1 3.94Å; Y61-Y89 HydrophobicContact CE1-CE1 4.18Å; N81-Y89 CarbonylContact C-O 3.58Å; N81-Y89 WeakPolarHBondContact CA-O 3.23Å; N81-Y89 WeakPolarHBondContact CB-O 3.39Å; A82-Y89 PolarHBondContact N-O 2.97Å; A82-Y89 PolarHBondContact O-N 3.45Å; F84-Y89 HydrophobicContact CB-CD2 4Å; F84-Y89 HydrophobicContact CB-CE2 3.89Å; F84-Y89 HydrophobicContact CD1-CE2 4.41Å; N87-Y89 HydrophobicContact CB-CE2 3.78Å; N87-Y89 WeakPolarHBondContact O-CD2 3.31Å; N87-Y89 WeakPolarHBondContact O-CE2 3.38Å
90G94.7Very high91.1Very high1 Ų141 Ų411%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-173.3149.1177.200000114.8H46 E80H46-G90 PolarHBondContact N-O 3.48Å; H46-G90 PolarHBondContact O-N 3.38Å; H46-G90 VanDerWaalsContact O-N 3.1Å; E80-G90 VanDerWaalsContact O-CA 3.29Å; E80-G90 WeakPolarHBondContact O-CA 3.46Å
91T95.6Very high91Very high0 Ų044.7 Ų44.70%027%0.269CS..EExtended strand (participates in β ladder)trans-93.2112.2174.5-55.30000109.5S43 I79 E80 V96 L108S43-T91 WeakPolarHBondContact OG-CG2 3.4Å; I79-T91 HydrophobicContact CD1-CG2 4.29Å; I79-T91 PolarHBondContact N-O 2.85Å; E80-T91 PolarHBondContact O-N 2.98Å; E80-T91 VanDerWaalsContact O-N 3.17Å; E80-T91 VanDerWaalsContact OE1-CB 3.25Å; E80-T91 WeakPolarHBondContact OE1-CB 3.04Å; E80-T91 PolarHBondContact OE1-N 3.38Å; E80-T91 PolarHBondContact OE1-OG1 2.86Å; T91-V96 HydrophobicContact CG2-CG2 3.67Å; T91-L108 HydrophobicContact CG2-CD2 3.7Å; T91-L108 HydrophobicContact CG2-CG 4.37Å
92S95.2Very high90.9Very high11 Ų1148.7 Ų48.78%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-76.9150.6176.372.50000111.5A94 A95 V96S92-A94 PolarHBondContact O-N 2.67Å; S92-A95 PolarHBondContact O-N 3.17Å; S92-A95 VanDerWaalsContact OG-CB 3.27Å; S92-A95 WeakPolarHBondContact OG-CB 3.33Å; S92-A95 PolarHBondContact OG-N 3.34Å; S92-V96 PolarHBondContact O-N 2.87Å
93K94.9Very high91.1Very high93 Ų9352.7 Ų52.740%0.40430%0.304SS..Hα-helixtrans-57.4-40.9171.4-69.9173.1177.6171.70111.1G76 E77 I79 A95 V96 Q97G76-K93 VanDerWaalsContact O-CE 3.24Å; G76-K93 WeakPolarHBondContact O-CE 3.38Å; G76-K93 PolarHBondContact O-NZ 2.97Å; E77-K93 WeakPolarHBondContact O-CG 3.39Å; E77-K93 PolarHBondContact O-N 3.03Å; I79-K93 HydrophobicContact CD1-CG 4.47Å; I79-K93 HydrophobicContact CG1-CB 4.47Å; I79-K93 HydrophobicContact CG1-CG 3.69Å; K93-A95 PolarHBondContact O-N 2.75Å; K93-V96 PolarHBondContact O-N 3.08Å; K93-Q97 WeakPolarHBondContact O-CB 3.49Å; K93-Q97 WeakPolarHBondContact O-CG 3.21Å; K93-Q97 PolarHBondContact O-N 2.78Å
94A93Very high91.5Very high62 Ų6248.4 Ų48.451%0.51228%0.284SS..Hα-helixtrans-61.7-40.2178.800000112.7S92 V96 Q97 A98S92-A94 PolarHBondContact O-N 2.67Å; A94-V96 PolarHBondContact O-N 3.5Å; A94-Q97 PolarHBondContact O-N 2.86Å; A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 2.9Å
95A93.3Very high92.4Very high11 Ų1144 Ų449%0.09127%0.265CS..Hα-helixtrans-62.4-43.2178.700000111.8S43 S92 K93S43-A95 WeakPolarHBondContact OG-CB 3.35Å; S92-A95 PolarHBondContact O-N 3.17Å; S92-A95 VanDerWaalsContact OG-CB 3.27Å; S92-A95 WeakPolarHBondContact OG-CB 3.33Å; S92-A95 PolarHBondContact OG-N 3.34Å; K93-A95 PolarHBondContact O-N 2.75Å
96V94.1Very high93.4Very high0 Ų039.6 Ų39.60%023%0.234CC..Hα-helixtrans-68.9-44.9176.6178.80000111.4M9 I79 T91 S92 K93 A94 A98 V99 Q100 C106 L108 L123M9-V96 HydrophobicContact CE-CB 4.27Å; M9-V96 HydrophobicContact CE-CG1 3.51Å; M9-V96 HydrophobicContact SD-CG1 4.31Å; I79-V96 HydrophobicContact CD1-CB 4.01Å; I79-V96 HydrophobicContact CD1-CG2 3.52Å; T91-V96 HydrophobicContact CG2-CG2 3.67Å; S92-V96 PolarHBondContact O-N 2.87Å; K93-V96 PolarHBondContact O-N 3.08Å; A94-V96 PolarHBondContact O-N 3.5Å; V96-A98 VanDerWaalsContact C-N 3.3Å; V96-A98 PolarHBondContact O-N 3.25Å; V96-V99 PolarHBondContact O-N 2.93Å; V96-V99 VanDerWaalsContact O-N 3.16Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 PolarHBondContact O-N 3.09Å; V96-C106 HydrophobicContact CG1-CB 4.25Å; V96-L108 HydrophobicContact CG2-CD2 4.44Å; V96-L123 HydrophobicContact CG1-CD1 4.2Å
97Q92.3Very high94Very high101 Ų10137.7 Ų37.747%0.47222%0.215SC..Hα-helixtrans-60.6-38.1178.5-73.8170.3-1000112.5M9 K93 A94 V99 Q100 A101M9-Q97 HydrophobicContact SD-CG 4.19Å; K93-Q97 WeakPolarHBondContact O-CB 3.49Å; K93-Q97 WeakPolarHBondContact O-CG 3.21Å; K93-Q97 PolarHBondContact O-N 2.78Å; A94-Q97 PolarHBondContact O-N 2.86Å; Q97-V99 VanDerWaalsContact C-N 3.26Å; Q97-V99 PolarHBondContact O-N 2.65Å; Q97-Q100 PolarHBondContact O-N 3.01Å; Q97-A101 VanDerWaalsContact O-CB 3.28Å; Q97-A101 WeakPolarHBondContact O-CB 3.4Å; Q97-A101 PolarHBondContact O-N 3.44Å
98A91.7Very high94.2Very high54 Ų5435.5 Ų35.545%0.44620%0.203SC..Hα-helixtrans-63-32.1178.100000112.9A94 V96A94-A98 VanDerWaalsContact O-CB 3.31Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 2.9Å; V96-A98 VanDerWaalsContact C-N 3.3Å; V96-A98 PolarHBondContact O-N 3.25Å
99V94.3Very high94.1Very high11 Ų1137.9 Ų37.97%0.06722%0.216CC..Hα-helixtrans-77.8-45.5174.9-178.90000110.8F42 V96 Q97 A101 K102 L104 C106F42-V99 WeakPolarHBondContact O-CG2 3.48Å; V96-V99 PolarHBondContact O-N 2.93Å; V96-V99 VanDerWaalsContact O-N 3.16Å; Q97-V99 VanDerWaalsContact C-N 3.26Å; Q97-V99 PolarHBondContact O-N 2.65Å; V99-A101 VanDerWaalsContact C-N 3.32Å; V99-A101 PolarHBondContact O-N 3.32Å; V99-K102 WeakPolarHBondContact O-CB 3.48Å; V99-K102 PolarHBondContact O-N 2.97Å; V99-L104 HydrophobicContact CG1-CB 3.74Å; V99-L104 PolarHBondContact O-N 2.87Å; V99-C106 HydrophobicContact CB-CB 4Å; V99-C106 HydrophobicContact CG1-CB 3.86Å
100Q92.2Very high93.9Very high8 Ų836.6 Ų36.64%0.03721%0.212CC..Hα-helixtrans-63.9-35.5-179.9-72.6-178.9-44.900112.7M9 P12 V96 Q97 K102 N103M9-Q100 VanDerWaalsContact CB-OE1 3.29Å; P12-Q100 PolarHBondContact O-NE2 3.42Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 PolarHBondContact O-N 3.09Å; Q97-Q100 PolarHBondContact O-N 3.01Å; Q100-K102 PolarHBondContact O-N 2.71Å; Q100-K102 VanDerWaalsContact O-N 3.11Å; Q100-N103 WeakPolarHBondContact O-CA 3.36Å; Q100-N103 PolarHBondContact O-N 3.12Å
101A92.2Very high93.5Very high86 Ų8639.3 Ų39.371%0.71123%0.226SC*.THydrogen-bonded Turntrans-60.4-20.5174.400000113.4Q97 V99 N103Q97-A101 VanDerWaalsContact O-CB 3.28Å; Q97-A101 WeakPolarHBondContact O-CB 3.4Å; Q97-A101 PolarHBondContact O-N 3.44Å; V99-A101 VanDerWaalsContact C-N 3.32Å; V99-A101 PolarHBondContact O-N 3.32Å; A101-N103 VanDerWaalsContact C-N 3.32Å
102K92.6Very high93.1Very high141 Ų14139.8 Ų39.861%0.61323%0.229SC*.THydrogen-bonded Turntrans-91.47.5174.1-58.4178.4-173.2179.10112.8V99 Q100 L104V99-K102 WeakPolarHBondContact O-CB 3.48Å; V99-K102 PolarHBondContact O-N 2.97Å; Q100-K102 PolarHBondContact O-N 2.71Å; Q100-K102 VanDerWaalsContact O-N 3.11Å; K102-L104 VanDerWaalsContact C-N 3.26Å; K102-L104 HydrophobicContact CB-CD1 3.9Å; K102-L104 HydrophobicContact CB-CG 3.87Å; K102-L104 HydrophobicContact CD-CD1 4.34Å; K102-L104 PolarHBondContact O-N 3.1Å
103N94.3Very high92.8Very high90 Ų9043.4 Ų43.448%0.48124%0.244SC..THydrogen-bonded Turntrans53.142-172.8-67.4-49.9000112.8Q100 A101 V200Q100-N103 WeakPolarHBondContact O-CA 3.36Å; Q100-N103 PolarHBondContact O-N 3.12Å; A101-N103 VanDerWaalsContact C-N 3.32Å; N103-V200 WeakPolarHBondContact O-CG1 3.42Å
104L95.9Very high92.6Very high21 Ų2139 Ų3911%0.1123%0.225CC..  trans-109.8151.2177-57.1177.2000110.6N38 V39 V99 K102 C106N38-L104 VanDerWaalsContact C-CD2 3.43Å; N38-L104 WeakPolarHBondContact O-CD2 3.38Å; V39-L104 WeakPolarHBondContact O-CA 3.43Å; V99-L104 HydrophobicContact CG1-CB 3.74Å; V99-L104 PolarHBondContact O-N 2.87Å; K102-L104 VanDerWaalsContact C-N 3.26Å; K102-L104 HydrophobicContact CB-CD1 3.9Å; K102-L104 HydrophobicContact CB-CG 3.87Å; K102-L104 HydrophobicContact CD-CD1 4.34Å; K102-L104 PolarHBondContact O-N 3.1Å; L104-C106 PolarHBondContact O-N 2.83Å
105I97.4Very high92.6Very high1 Ų136 Ų361%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-69118.8167.3-64.5166.5000108P12 V15 V39 F40 G41 I107 E196 V200P12-I105 HydrophobicContact CB-CG1 3.82Å; V15-I105 HydrophobicContact CB-CG2 4.4Å; V15-I105 HydrophobicContact CG1-CG2 3.84Å; V39-I105 HydrophobicContact CG1-CD1 4Å; V39-I105 PolarHBondContact O-N 3.34Å; F40-I105 WeakPolarHBondContact CA-O 3.25Å; F40-I105 HydrophobicContact CD1-CB 3.64Å; F40-I105 HydrophobicContact CD1-CD1 4.27Å; F40-I105 HydrophobicContact CD1-CG2 3.74Å; F40-I105 HydrophobicContact CE1-CB 3.9Å; F40-I105 HydrophobicContact CE1-CD1 3.72Å; F40-I105 HydrophobicContact CE1-CG1 4.42Å; F40-I105 HydrophobicContact CE1-CG2 3.81Å; F40-I105 HydrophobicContact CZ-CD1 4.19Å; G41-I105 PolarHBondContact N-O 2.84Å; I105-I107 PolarHBondContact O-N 2.87Å; I105-E196 HydrophobicContact CD1-CB 3.7Å; I105-V200 HydrophobicContact CD1-CG2 4.15Å; I105-V200 HydrophobicContact CG1-CG2 3.82Å
106C96.9Very high92.6Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-77.1121.2177.4-173.90000111P14 V15 G41 V96 V99 L104 L108P14-C106 CarbonylContact C-O 3.52Å; P14-C106 WeakPolarHBondContact CA-O 3.35Å; P14-C106 HydrophobicContact CB-CB 4.14Å; V15-C106 PolarHBondContact N-O 2.79Å; G41-C106 CarbonylContact O-C 3.58Å; G41-C106 WeakPolarHBondContact O-CA 3.49Å; V96-C106 HydrophobicContact CG1-CB 4.25Å; V99-C106 HydrophobicContact CB-CB 4Å; V99-C106 HydrophobicContact CG1-CB 3.86Å; L104-C106 PolarHBondContact O-N 2.83Å; C106-L108 HydrophobicContact CB-CD1 4.42Å
107I96.4Very high92.6Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-94.4125.1174.5-61.9177.1000109V15 F17 L29 I33 F40 G41 F42 S43 I105V15-I107 HydrophobicContact CG1-CB 4.3Å; V15-I107 HydrophobicContact CG1-CG1 3.73Å; V15-I107 WeakPolarHBondContact O-CA 3.41Å; F17-I107 HydrophobicContact CD2-CG2 3.87Å; F17-I107 HydrophobicContact CE2-CG2 4.2Å; L29-I107 HydrophobicContact CD2-CD1 4.02Å; L29-I107 HydrophobicContact CD2-CG2 3.84Å; I33-I107 HydrophobicContact CD1-CD1 4.16Å; I33-I107 HydrophobicContact CG1-CD1 4.27Å; F40-I107 HydrophobicContact CB-CD1 3.68Å; F40-I107 HydrophobicContact CB-CG1 4.26Å; F40-I107 HydrophobicContact CD1-CD1 3.78Å; F40-I107 HydrophobicContact CD1-CG1 3.93Å; F40-I107 HydrophobicContact CG-CD1 3.93Å; F40-I107 HydrophobicContact CG-CG1 4.48Å; G41-I107 PolarHBondContact O-N 2.9Å; F42-I107 HydrophobicContact CD1-CB 3.98Å; F42-I107 HydrophobicContact CD1-CG2 3.76Å; F42-I107 HydrophobicContact CE1-CB 4.21Å; F42-I107 HydrophobicContact CE1-CG2 3.6Å; S43-I107 PolarHBondContact N-O 3.01Å; I105-I107 PolarHBondContact O-N 2.87Å
108L95.1Very high92.7Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-112.7112.5171.9-64.981.3000108.1P14 V15 V16 F17 T91 V96 C106 I110 I118 L123P14-L108 HydrophobicContact CB-CD1 3.94Å; V15-L108 PolarHBondContact O-N 2.8Å; V16-L108 CarbonylContact C-O 3.6Å; V16-L108 WeakPolarHBondContact CA-O 3.5Å; V16-L108 HydrophobicContact CG2-CB 4.07Å; V16-L108 HydrophobicContact CG2-CD2 4.33Å; F17-L108 PolarHBondContact N-O 2.92Å; T91-L108 HydrophobicContact CG2-CD2 3.7Å; T91-L108 HydrophobicContact CG2-CG 4.37Å; V96-L108 HydrophobicContact CG2-CD2 4.44Å; C106-L108 HydrophobicContact CB-CD1 4.42Å; L108-I110 HydrophobicContact CB-CG2 4.38Å; L108-I118 HydrophobicContact CD2-CD1 3.57Å; L108-L123 HydrophobicContact CD2-CD2 3.83Å
109D91.1Very high92.8Very high61 Ų6136.4 Ų36.433%0.32619%0.19SC..EExtended strand (participates in β ladder)trans-97.298.6173.4-174.29.7000108.4K25K25-D109 WeakPolarHBondContact CE-OD1 3.39Å
110I88.7Confident92.8Very high16 Ų1643.7 Ų43.78%0.08222%0.221CC..  trans-134.8158.2-17164.7-177.5000111.8V16 F17 S18 L108 V115 I118V16-I110 HydrophobicContact CG1-CD1 3.77Å; V16-I110 HydrophobicContact CG1-CG1 3.77Å; V16-I110 HydrophobicContact CG2-CD1 4.2Å; F17-I110 PolarHBondContact O-N 3.19Å; S18-I110 WeakPolarHBondContact CA-O 3.41Å; S18-I110 VanDerWaalsContact CB-O 3.28Å; S18-I110 WeakPolarHBondContact CB-O 3.49Å; S18-I110 PolarHBondContact OG-O 3.27Å; L108-I110 HydrophobicContact CB-CG2 4.38Å; I110-V115 HydrophobicContact CG1-CG2 4.34Å; I110-I118 HydrophobicContact CD1-CD1 3.27Å; I110-I118 HydrophobicContact CD1-CG1 4.06Å
111D86.9Confident92.9Very high58 Ų5845.6 Ų45.631%0.3123%0.233SC..  trans-76.7-178.3176.37312.9000112.6Q113 G114 V115D111-Q113 VanDerWaalsContact C-N 3.29Å; D111-Q113 PolarHBondContact O-N 3.21Å; D111-Q113 WeakPolarHBondContact OD1-CA 2.9Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.48Å; D111-Q113 PolarHBondContact OD1-N 3.17Å; D111-G114 PolarHBondContact O-N 2.96Å; D111-G114 PolarHBondContact OD1-N 3.29Å; D111-V115 WeakPolarHBondContact O-CG2 3.39Å; D111-V115 PolarHBondContact O-N 3.28Å
112M86.9Confident92.8Very high11 Ų1146.3 Ų46.35%0.05423%0.225CC..Hα-helixtrans-67.5-29.6-177.5-15560.579.800113.9V115 K116 D163 F166 F173M112-V115 PolarHBondContact O-N 3.34Å; M112-V115 HydrophobicContact SD-CB 4.27Å; M112-V115 HydrophobicContact SD-CG2 4.38Å; M112-K116 WeakPolarHBondContact O-CG 3.3Å; M112-K116 PolarHBondContact O-N 3.38Å; M112-D163 WeakPolarHBondContact CB-OD1 3.3Å; M112-D163 HydrophobicContact CE-CB 4.03Å; M112-D163 WeakPolarHBondContact CE-O 3.33Å; M112-F166 HydrophobicContact CE-CB 4.16Å; M112-F166 HydrophobicContact CE-CD1 3.65Å; M112-F166 HydrophobicContact CE-CG 4.3Å; M112-F166 HydrophobicContact CG-CB 4.16Å; M112-F166 HydrophobicContact CG-CD1 3.21Å; M112-F166 HydrophobicContact CG-CD2 4.46Å; M112-F166 HydrophobicContact CG-CE1 3.54Å; M112-F166 HydrophobicContact CG-CG 3.66Å; M112-F166 HydrophobicContact CG-CZ 4.34Å; M112-F166 HydrophobicContact SD-CD1 3.03Å; M112-F166 WeakPolarHBondContact SD-CD1 3.47Å; M112-F166 HydrophobicContact SD-CE1 3.36Å; M112-F166 WeakPolarHBondContact SD-CE1 3.35Å; M112-F166 HydrophobicContact SD-CG 4.02Å; M112-F173 HydrophobicContact CE-CE2 3.88Å; M112-F173 HydrophobicContact CE-CZ 3.86Å; M112-F173 HydrophobicContact SD-CE2 3.75Å; M112-F173 HydrophobicContact SD-CZ 3.55Å; M112-F173 VanDerWaalsContact SD-CZ 3.55Å
113Q88.8Confident92.9Very high86 Ų8640.2 Ų40.240%0.40220%0.199SC..Hα-helixtrans-68.7-41.4175.8-172.857.658.200110.1A82 D111 K116 N117A82-Q113 HydrophobicContact CB-CB 4Å; A82-Q113 HydrophobicContact CB-CG 3.71Å; D111-Q113 VanDerWaalsContact C-N 3.29Å; D111-Q113 PolarHBondContact O-N 3.21Å; D111-Q113 WeakPolarHBondContact OD1-CA 2.9Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.48Å; D111-Q113 PolarHBondContact OD1-N 3.17Å; Q113-K116 PolarHBondContact O-N 2.97Å; Q113-N117 PolarHBondContact NE2-OD1 3.37Å; Q113-N117 VanDerWaalsContact NE2-OD1 3.17Å; Q113-N117 WeakPolarHBondContact O-CB 2.96Å; Q113-N117 PolarHBondContact O-N 3.34Å; Q113-N117 PolarHBondContact O-ND2 2.93Å
114G91.1Very high92.9Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-57-48.3170.200000111.9D111 K116 N117 I118D111-G114 PolarHBondContact O-N 2.96Å; D111-G114 PolarHBondContact OD1-N 3.29Å; G114-K116 PolarHBondContact O-N 3.03Å; G114-N117 PolarHBondContact O-N 3.11Å; G114-N117 VanDerWaalsContact O-N 3.09Å; G114-I118 WeakPolarHBondContact O-CG1 3.42Å; G114-I118 PolarHBondContact O-N 2.81Å
115V93.3Very high92.9Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-54.7-50.1176172.60000111.6V16 I110 D111 M112 N117 I118 K119 Y127 F173V16-V115 HydrophobicContact CG1-CG2 3.88Å; I110-V115 HydrophobicContact CG1-CG2 4.34Å; D111-V115 WeakPolarHBondContact O-CG2 3.39Å; D111-V115 PolarHBondContact O-N 3.28Å; M112-V115 PolarHBondContact O-N 3.34Å; M112-V115 HydrophobicContact SD-CB 4.27Å; M112-V115 HydrophobicContact SD-CG2 4.38Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.39Å; V115-I118 PolarHBondContact O-N 2.77Å; V115-K119 WeakPolarHBondContact O-CG 3.41Å; V115-K119 PolarHBondContact O-N 3.09Å; V115-K119 VanDerWaalsContact O-N 3.11Å; V115-Y127 HydrophobicContact CG1-CD1 3.93Å; V115-Y127 HydrophobicContact CG1-CE1 4.13Å; V115-F173 HydrophobicContact CG1-CE1 4.31Å; V115-F173 HydrophobicContact CG1-CZ 4.16Å; V115-F173 HydrophobicContact CG2-CE1 4.06Å; V115-F173 HydrophobicContact CG2-CZ 4.06Å
116K92.6Very high92.9Very high80 Ų8041.4 Ų41.435%0.34821%0.205SC..Hα-helixtrans-59.4-37.5177.7-73.4171.4178.7176.70112.4M112 Q113 G114 F166M112-K116 WeakPolarHBondContact O-CG 3.3Å; M112-K116 PolarHBondContact O-N 3.38Å; Q113-K116 PolarHBondContact O-N 2.97Å; G114-K116 PolarHBondContact O-N 3.03Å; K116-F166 HydrophobicContact CD-CE2 4.22Å; K116-F166 HydrophobicContact CD-CZ 4.03Å; K116-F166 HydrophobicContact CG-CE1 4.32Å; K116-F166 HydrophobicContact CG-CE2 4.31Å; K116-F166 HydrophobicContact CG-CZ 3.65Å
117N93.7Very high92.9Very high29 Ų2942.2 Ų42.216%0.15521%0.208CC..Hα-helixtrans-73.2-44.6-179.1-71.1-17000111.3E80 N81 Q113 G114 V115 K119 K120E80-N117 HydrophobicContact CB-CB 3.66Å; N81-N117 PolarHBondContact O-ND2 2.98Å; Q113-N117 PolarHBondContact NE2-OD1 3.37Å; Q113-N117 VanDerWaalsContact NE2-OD1 3.17Å; Q113-N117 WeakPolarHBondContact O-CB 2.96Å; Q113-N117 PolarHBondContact O-N 3.34Å; Q113-N117 PolarHBondContact O-ND2 2.93Å; G114-N117 PolarHBondContact O-N 3.11Å; G114-N117 VanDerWaalsContact O-N 3.09Å; V115-N117 VanDerWaalsContact C-N 3.26Å; V115-N117 PolarHBondContact O-N 3.39Å; N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 2.76Å; N117-K120 WeakPolarHBondContact O-CB 3.31Å; N117-K120 PolarHBondContact O-N 2.9Å
118I95Very high93Very high0 Ų042.2 Ų42.20%021%0.208CC..Hα-helixtrans-63.1-34.8177.9-64.8-172.1000111.9V16 I79 E80 L108 I110 G114 V115 K120 T121 L123 P125 Y127V16-I118 HydrophobicContact CG2-CD1 3.86Å; I79-I118 HydrophobicContact CG2-CG1 4.4Å; E80-I118 HydrophobicContact CB-CG1 3.94Å; E80-I118 HydrophobicContact CG-CD1 3.95Å; E80-I118 HydrophobicContact CG-CG1 3.59Å; L108-I118 HydrophobicContact CD2-CD1 3.57Å; I110-I118 HydrophobicContact CD1-CD1 3.27Å; I110-I118 HydrophobicContact CD1-CG1 4.06Å; G114-I118 WeakPolarHBondContact O-CG1 3.42Å; G114-I118 PolarHBondContact O-N 2.81Å; V115-I118 PolarHBondContact O-N 2.77Å; I118-K120 PolarHBondContact O-N 2.86Å; I118-K120 VanDerWaalsContact O-N 3.08Å; I118-T121 WeakPolarHBondContact O-CA 3.48Å; I118-T121 WeakPolarHBondContact O-CB 3.47Å; I118-T121 PolarHBondContact O-N 2.69Å; I118-T121 PolarHBondContact O-OG1 2.72Å; I118-L123 HydrophobicContact CD1-CD2 3.98Å; I118-L123 HydrophobicContact CG2-CB 3.96Å; I118-L123 HydrophobicContact CG2-CD2 3.55Å; I118-L123 HydrophobicContact CG2-CG 4.25Å; I118-P125 HydrophobicContact CG2-CG 3.87Å; I118-Y127 HydrophobicContact CB-CE1 4.46Å; I118-Y127 HydrophobicContact CG2-CE1 4.28Å; I118-Y127 WeakPolarHBondContact CG2-OH 3.4Å
119K94Very high93.1Very high66 Ų6642.2 Ų42.229%0.28721%0.208SC..THydrogen-bonded Turntrans-60.3-18.4174.6-77.4-177.2-174.5-80.20114.3V115 N117 T121 Y127 G171 M172V115-K119 WeakPolarHBondContact O-CG 3.41Å; V115-K119 PolarHBondContact O-N 3.09Å; V115-K119 VanDerWaalsContact O-N 3.11Å; N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 2.76Å; K119-T121 VanDerWaalsContact C-N 3.3Å; K119-Y127 WeakPolarHBondContact CA-OH 3.49Å; K119-Y127 HydrophobicContact CG-CE1 3.98Å; K119-Y127 HydrophobicContact CG-CE2 4.24Å; K119-Y127 WeakPolarHBondContact CG-OH 3.37Å; K119-Y127 PolarHBondContact N-OH 3Å; K119-G171 PolarHBondContact NZ-O 3.17Å; K119-M172 HydrophobicContact CD-CE 4.29Å; K119-M172 HydrophobicContact CD-SD 3.96Å; K119-M172 WeakPolarHBondContact CE-O 3.43Å; K119-M172 PolarHBondContact NZ-O 2.84Å
120K93.9Very high93.3Very high164 Ų16439.3 Ų39.371%0.71319%0.192SC*.THydrogen-bonded Turntrans-88.83174.7-56.6168-172.4169.10112.6N117 I118N117-K120 WeakPolarHBondContact O-CB 3.31Å; N117-K120 PolarHBondContact O-N 2.9Å; I118-K120 PolarHBondContact O-N 2.86Å; I118-K120 VanDerWaalsContact O-N 3.08Å
121T93.5Very high93.7Very high48 Ų4838.9 Ų38.929%0.29419%0.19SC..SBendtrans-112.8170.8-178.276.50000111.2I79 I118 K119 L123I79-T121 HydrophobicContact CG2-CG2 3.99Å; I79-T121 WeakPolarHBondContact O-CG2 3.28Å; I118-T121 WeakPolarHBondContact O-CA 3.48Å; I118-T121 WeakPolarHBondContact O-CB 3.47Å; I118-T121 PolarHBondContact O-N 2.69Å; I118-T121 PolarHBondContact O-OG1 2.72Å; K119-T121 VanDerWaalsContact C-N 3.3Å; T121-L123 VanDerWaalsContact C-N 3.32Å; T121-L123 WeakPolarHBondContact OG1-CB 3.4Å; T121-L123 PolarHBondContact OG1-N 2.94Å
122D91.3Very high94Very high100 Ų10036.3 Ų36.354%0.53518%0.176SC..SBendtrans-89.711.8174.762.7-14.3000113.6S6 N124S6-D122 VanDerWaalsContact CB-OD2 3.23Å; S6-D122 WeakPolarHBondContact CB-OD2 3.43Å; S6-D122 PolarHBondContact OG-OD2 3.12Å; D122-N124 PolarHBondContact O-N 3.3Å
123L93.4Very high94.4Very high13 Ų1337.9 Ų37.97%0.06819%0.187CC..  trans-57.4-32.6-179.2-177.964000113.1M9 P14 I79 V96 L108 I118 T121 P125M9-L123 HydrophobicContact CE-CD1 2.98Å; M9-L123 HydrophobicContact CE-CG 4.42Å; P14-L123 HydrophobicContact CB-CD1 4.46Å; P14-L123 HydrophobicContact CG-CD1 3.8Å; P14-L123 HydrophobicContact CG-CG 4.28Å; I79-L123 HydrophobicContact CD1-CD1 4.33Å; I79-L123 HydrophobicContact CG2-CD2 4.36Å; V96-L123 HydrophobicContact CG1-CD1 4.2Å; L108-L123 HydrophobicContact CD2-CD2 3.83Å; I118-L123 HydrophobicContact CD1-CD2 3.98Å; I118-L123 HydrophobicContact CG2-CB 3.96Å; I118-L123 HydrophobicContact CG2-CD2 3.55Å; I118-L123 HydrophobicContact CG2-CG 4.25Å; T121-L123 VanDerWaalsContact C-N 3.32Å; T121-L123 WeakPolarHBondContact OG1-CB 3.4Å; T121-L123 PolarHBondContact OG1-N 2.94Å; L123-P125 HydrophobicContact CD2-CB 4.4Å; L123-P125 HydrophobicContact CD2-CG 4.19Å; L123-P125 HydrophobicContact CG-CB 4.46Å; L123-P125 HydrophobicContact CG-CG 4.34Å
124N94.1Very high94.7Very high110 Ų11035.2 Ų35.259%0.58818%0.178SC*.  trans46.450.4-178.9-171.126.8000114.9R13 D122R13-N124 VanDerWaalsContact CG-O 3.31Å; R13-N124 WeakPolarHBondContact CG-O 3.48Å; R13-N124 PolarHBondContact NE-O 2.88Å; R13-N124 PolarHBondContact NH2-OD1 3.09Å; D122-N124 PolarHBondContact O-N 3.3Å
125P96.8Very high94.9Very high0 Ų037.2 Ų37.20%019%0.188CC..  trans-74.3169.1177.136.2-37.1000111.2R13 P14 V16 I118 L123 Y127R13-P125 PolarHBondContact NH2-O 3.44Å; P14-P125 HydrophobicContact CB-CB 4.12Å; P14-P125 CarbonylContact O-C 3.59Å; P14-P125 WeakPolarHBondContact O-CA 3.49Å; P14-P125 WeakPolarHBondContact O-CB 3.03Å; V16-P125 HydrophobicContact CB-CB 4.48Å; V16-P125 HydrophobicContact CB-CG 4.43Å; V16-P125 HydrophobicContact CG2-CB 3.81Å; V16-P125 HydrophobicContact CG2-CG 3.64Å; I118-P125 HydrophobicContact CG2-CG 3.87Å; L123-P125 HydrophobicContact CD2-CB 4.4Å; L123-P125 HydrophobicContact CD2-CG 4.19Å; L123-P125 HydrophobicContact CG-CB 4.46Å; L123-P125 HydrophobicContact CG-CG 4.34Å; P125-Y127 HydrophobicContact CG-CD1 4.38Å; P125-Y127 HydrophobicContact CG-CD2 4.26Å; P125-Y127 HydrophobicContact CG-CE1 3.81Å; P125-Y127 HydrophobicContact CG-CE2 3.67Å; P125-Y127 VanDerWaalsContact CG-CZ 3.41Å
126M97.1Very high95Very high27 Ų2743.5 Ų43.513%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-82.1130.4157.2-178.3-180-72.200109P14 V15 V16 I128 D174 L193P14-M126 PolarHBondContact O-N 3.01Å; V15-M126 CarbonylContact C-O 3.49Å; V15-M126 WeakPolarHBondContact CA-O 3.34Å; V15-M126 HydrophobicContact CG2-CB 4.41Å; V16-M126 PolarHBondContact N-O 2.97Å; M126-I128 HydrophobicContact CG-CD1 4.47Å; M126-I128 HydrophobicContact CG-CG1 4.12Å; M126-I128 HydrophobicContact SD-CD1 4.04Å; M126-I128 HydrophobicContact SD-CG1 4.28Å; M126-D174 WeakPolarHBondContact CA-OD2 3.36Å; M126-D174 HydrophobicContact CG-CB 4.22Å; M126-L193 HydrophobicContact SD-CD2 3.79Å
127Y97.6Very high95.1Very high17 Ų1742 Ų427%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-100.2114.6-179.5-63.3-91.2000110.6V16 V115 I118 K119 P125 D174 V175V16-Y127 HydrophobicContact CB-CD1 3.92Å; V16-Y127 HydrophobicContact CB-CE1 4.34Å; V16-Y127 HydrophobicContact CG1-CD1 3.97Å; V16-Y127 HydrophobicContact CG1-CE1 4.44Å; V16-Y127 HydrophobicContact CG2-CD1 4.35Å; V16-Y127 HydrophobicContact CG2-CE1 4.27Å; V115-Y127 HydrophobicContact CG1-CD1 3.93Å; V115-Y127 HydrophobicContact CG1-CE1 4.13Å; I118-Y127 HydrophobicContact CB-CE1 4.46Å; I118-Y127 HydrophobicContact CG2-CE1 4.28Å; I118-Y127 WeakPolarHBondContact CG2-OH 3.4Å; K119-Y127 WeakPolarHBondContact CA-OH 3.49Å; K119-Y127 HydrophobicContact CG-CE1 3.98Å; K119-Y127 HydrophobicContact CG-CE2 4.24Å; K119-Y127 WeakPolarHBondContact CG-OH 3.37Å; K119-Y127 PolarHBondContact N-OH 3Å; P125-Y127 HydrophobicContact CG-CD1 4.38Å; P125-Y127 HydrophobicContact CG-CD2 4.26Å; P125-Y127 HydrophobicContact CG-CE1 3.81Å; P125-Y127 HydrophobicContact CG-CE2 3.67Å; P125-Y127 VanDerWaalsContact CG-CZ 3.41Å; Y127-D174 PolarHBondContact N-OD2 3.45Å; Y127-D174 PolarHBondContact O-N 2.96Å; Y127-V175 PolarHBondContact O-N 3.37Å; Y127-V175 VanDerWaalsContact O-N 3.17Å
128I97.6Very high95.1Very high0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-116.7122.2178.8-55.2-176.6000109.8V15 V16 F17 S18 M126 I130 V175 I177 L189 A192 L193V15-I128 HydrophobicContact CG2-CD1 3.81Å; V15-I128 HydrophobicContact CG2-CG1 4.07Å; V16-I128 PolarHBondContact O-N 3.18Å; F17-I128 WeakPolarHBondContact CA-O 3.35Å; F17-I128 HydrophobicContact CD1-CB 4.48Å; F17-I128 HydrophobicContact CD1-CG2 4.47Å; F17-I128 HydrophobicContact CE1-CG2 4.39Å; F17-I128 HydrophobicContact CZ-CD1 4.38Å; S18-I128 PolarHBondContact N-O 3.45Å; M126-I128 HydrophobicContact CG-CD1 4.47Å; M126-I128 HydrophobicContact CG-CG1 4.12Å; M126-I128 HydrophobicContact SD-CD1 4.04Å; M126-I128 HydrophobicContact SD-CG1 4.28Å; I128-I130 HydrophobicContact CG2-CD1 3.84Å; I128-V175 WeakPolarHBondContact CA-O 3.45Å; I128-V175 HydrophobicContact CG1-CB 4.36Å; I128-V175 HydrophobicContact CG2-CB 4.5Å; I128-I177 HydrophobicContact CG2-CD1 3.86Å; I128-I177 HydrophobicContact CG2-CG1 4.29Å; I128-L189 HydrophobicContact CD1-CD1 3.7Å; I128-L189 HydrophobicContact CG2-CD1 4.18Å; I128-A192 HydrophobicContact CD1-CB 4.46Å; I128-L193 HydrophobicContact CD1-CD1 4.27Å; I128-L193 HydrophobicContact CD1-CD2 3.88Å; I128-L193 HydrophobicContact CD1-CG 3.98Å
129S96.8Very high95Very high0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-99.3125.8174.5175.20000109.9S18 Q131 S167 F173 V175 V176 I177S18-S129 CarbonylContact O-C 3.57Å; S18-S129 WeakPolarHBondContact O-CA 3.39Å; S129-Q131 PolarHBondContact OG-NE2 3.48Å; S129-S167 WeakPolarHBondContact OG-CB 3.24Å; S129-F173 VanDerWaalsContact CB-CD1 3.49Å; S129-F173 VanDerWaalsContact CB-CG 3.5Å; S129-V175 PolarHBondContact N-O 3.34Å; S129-V176 WeakPolarHBondContact O-CA 3.39Å; S129-I177 PolarHBondContact O-N 3.01Å
130I96.7Very high95Very high0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-105.3117.6173.4-51.4-56.4000108.6F17 S18 G19 A23 K25 L28 I128 I177 N179F17-I130 HydrophobicContact CD1-CD1 4.42Å; F17-I130 HydrophobicContact CD1-CG1 4.2Å; S18-I130 PolarHBondContact O-N 3.31Å; G19-I130 WeakPolarHBondContact CA-O 3.28Å; A23-I130 HydrophobicContact CB-CG2 4.15Å; A23-I130 VanDerWaalsContact CB-O 3.24Å; A23-I130 WeakPolarHBondContact CB-O 3.42Å; K25-I130 HydrophobicContact CG-CB 3.82Å; K25-I130 HydrophobicContact CG-CG1 3.97Å; K25-I130 HydrophobicContact CG-CG2 4.33Å; L28-I130 HydrophobicContact CD1-CD1 3.89Å; L28-I130 HydrophobicContact CD1-CG1 4.23Å; L28-I130 HydrophobicContact CD1-CG2 3.79Å; I128-I130 HydrophobicContact CG2-CD1 3.84Å; I130-I177 WeakPolarHBondContact CA-O 3.4Å; I130-I177 HydrophobicContact CD1-CB 3.88Å; I130-I177 HydrophobicContact CD1-CD1 4.01Å; I130-I177 HydrophobicContact CD1-CG1 4.32Å; I130-I177 HydrophobicContact CD1-CG2 4.44Å; I130-N179 HydrophobicContact CG2-CB 4.1Å
131Q95.8Very high94.9Very high8 Ų842.3 Ų42.34%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-116144.5-174.8-63.3-59.3-28.500111.6P20 S129 V176 I177 V178 N179P20-Q131 VanDerWaalsContact CD-OE1 3.32Å; S129-Q131 PolarHBondContact OG-NE2 3.48Å; Q131-V176 HydrophobicContact CG-CG1 3.9Å; Q131-I177 PolarHBondContact N-O 3.36Å; Q131-V178 CarbonylContact O-C 3.58Å; Q131-V178 WeakPolarHBondContact O-CA 3.31Å; Q131-N179 PolarHBondContact O-N 2.78Å
132P94.9Very high94.6Very high3 Ų340.1 Ų40.12%0.01920%0.2CC..  trans-68.5160.9166.134-36.5000110.1P20 S134 L138 M164P20-P132 HydrophobicContact CG-CG 4.24Å; P132-S134 VanDerWaalsContact C-N 3.26Å; P132-S134 PolarHBondContact O-N 3.42Å; P132-L138 HydrophobicContact CB-CB 3.96Å; P132-L138 HydrophobicContact CB-CD1 4.09Å; P132-L138 HydrophobicContact CG-CB 3.92Å; P132-L138 HydrophobicContact CG-CD1 4.05Å; P132-L138 HydrophobicContact CG-CD2 4.23Å; P132-L138 HydrophobicContact CG-CG 4.29Å; P132-M164 HydrophobicContact CG-CE 4.27Å; P132-M164 HydrophobicContact CG-SD 3.88Å
133P94.6Very high94.6Very high44 Ų4440.1 Ų40.129%0.28619%0.193SC..SBendtrans-66.2-30174.426.6-34.1000112.7V137 V178 D180P133-V137 HydrophobicContact CG-CB 3.77Å; P133-V137 HydrophobicContact CG-CG1 3.61Å; P133-V137 HydrophobicContact CG-CG2 3.89Å; P133-V178 HydrophobicContact CB-CG1 4.15Å; P133-D180 HydrophobicContact CB-CB 3.93Å; P133-D180 HydrophobicContact CG-CB 4.2Å
134S95.1Very high94.5Very high31 Ų3145 Ų4522%0.21722%0.219CC..  trans-159.4167.8175.785.40000111.7P132 E136 V137 L138P132-S134 VanDerWaalsContact C-N 3.26Å; P132-S134 PolarHBondContact O-N 3.42Å; S134-E136 VanDerWaalsContact C-N 3.32Å; S134-E136 WeakPolarHBondContact CB-OE2 3.14Å; S134-E136 PolarHBondContact OG-N 3.24Å; S134-E136 PolarHBondContact OG-OE2 2.99Å; S134-V137 PolarHBondContact O-N 3.42Å; S134-V137 PolarHBondContact OG-N 2.81Å; S134-L138 PolarHBondContact O-N 3.01Å
135M94.8Very high93.9Very high41 Ų4146.7 Ų46.720%0.20222%0.217CC..Hα-helixtrans-65-36174.7-78.3-58.8-63.100112.1L138 E139 L157 A160 N161 M164M135-L138 HydrophobicContact CE-CD2 4.41Å; M135-L138 WeakPolarHBondContact O-CB 3.43Å; M135-L138 PolarHBondContact O-N 3.4Å; M135-L138 HydrophobicContact SD-CD2 4.15Å; M135-E139 WeakPolarHBondContact O-CB 3.5Å; M135-E139 PolarHBondContact O-N 3.26Å; M135-L157 HydrophobicContact CE-CB 4.09Å; M135-L157 HydrophobicContact CE-CD2 3.95Å; M135-L157 VanDerWaalsContact CE-O 3.24Å; M135-L157 WeakPolarHBondContact CE-O 3.42Å; M135-A160 HydrophobicContact CE-CB 4.25Å; M135-A160 HydrophobicContact SD-CB 4.26Å; M135-N161 HydrophobicContact CE-CB 4.27Å; M135-N161 HydrophobicContact SD-CB 4.4Å; M135-M164 HydrophobicContact CG-SD 3.99Å; M135-M164 HydrophobicContact SD-SD 3.43Å
136E95.1Very high93.2Very high133 Ų13353.8 Ų53.862%0.62126%0.255SS*.Hα-helixtrans-64.9-42.2178.1-57.174.3-16200111S134 L138 E139 K140S134-E136 VanDerWaalsContact C-N 3.32Å; S134-E136 WeakPolarHBondContact CB-OE2 3.14Å; S134-E136 PolarHBondContact OG-N 3.24Å; S134-E136 PolarHBondContact OG-OE2 2.99Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-E139 PolarHBondContact O-N 2.77Å; E136-K140 WeakPolarHBondContact O-CB 3.15Å; E136-K140 PolarHBondContact O-N 3.06Å
137V94.5Very high92.2Very high47 Ų4757 Ų5729%0.28528%0.277SS..Hα-helixtrans-67.3-38.4175.6173.60000110.8P133 S134 R141P133-V137 HydrophobicContact CG-CB 3.77Å; P133-V137 HydrophobicContact CG-CG1 3.61Å; P133-V137 HydrophobicContact CG-CG2 3.89Å; S134-V137 PolarHBondContact O-N 3.42Å; S134-V137 PolarHBondContact OG-N 2.81Å; V137-R141 HydrophobicContact CG1-CG 4.48Å; V137-R141 WeakPolarHBondContact O-CB 3.08Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.46Å; V137-R141 PolarHBondContact O-N 2.96Å
138L93.9Very high91.1Very high0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-62.3-47.8175.4-17467.7000111.8P20 S21 G22 P132 S134 M135 E136 R141 L142 L157 A160P20-L138 HydrophobicContact CB-CD2 4.02Å; P20-L138 HydrophobicContact CG-CD2 4.18Å; S21-L138 WeakPolarHBondContact O-CD1 3.23Å; G22-L138 VanDerWaalsContact C-CD1 3.44Å; P132-L138 HydrophobicContact CB-CB 3.96Å; P132-L138 HydrophobicContact CB-CD1 4.09Å; P132-L138 HydrophobicContact CG-CB 3.92Å; P132-L138 HydrophobicContact CG-CD1 4.05Å; P132-L138 HydrophobicContact CG-CD2 4.23Å; P132-L138 HydrophobicContact CG-CG 4.29Å; S134-L138 PolarHBondContact O-N 3.01Å; M135-L138 HydrophobicContact CE-CD2 4.41Å; M135-L138 WeakPolarHBondContact O-CB 3.43Å; M135-L138 PolarHBondContact O-N 3.4Å; M135-L138 HydrophobicContact SD-CD2 4.15Å; E136-L138 VanDerWaalsContact C-N 3.34Å; L138-R141 PolarHBondContact O-N 2.83Å; L138-L142 HydrophobicContact CG-CD1 4.21Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.15Å; L138-L157 HydrophobicContact CD2-CD2 4.46Å; L138-A160 HydrophobicContact CD2-CB 3.26Å
139E94.2Very high90.5Very high64 Ų6461.8 Ų61.830%0.29931%0.308SS..Hα-helixtrans-58.8-48.6177.5178.5171.5-179.200111.1M135 E136 R141 L142 R143 L157M135-E139 WeakPolarHBondContact O-CB 3.5Å; M135-E139 PolarHBondContact O-N 3.26Å; E136-E139 PolarHBondContact O-N 2.77Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 2.97Å; E139-L142 PolarHBondContact O-N 3.29Å; E139-L142 VanDerWaalsContact O-N 3.11Å; E139-R143 HydrophobicContact CG-CG 4.32Å; E139-R143 WeakPolarHBondContact O-CG 3.46Å; E139-R143 PolarHBondContact O-N 2.88Å; E139-R143 IonicContact OE1-CZ 3.74Å; E139-R143 IonicContact OE1-NE 3.66Å; E139-R143 PolarHBondContact OE1-NE 3.37Å; E139-R143 IonicContact OE1-NH2 2.72Å; E139-R143 PolarHBondContact OE1-NH2 2.98Å; E139-L157 HydrophobicContact CB-CD1 4.09Å; E139-L157 HydrophobicContact CB-CD2 3.76Å; E139-L157 HydrophobicContact CG-CD1 3.84Å; E139-L157 HydrophobicContact CG-CD2 4.37Å
140K93.6Very high90.2Very high138 Ų13866.3 Ų66.360%0.633%0.329SS*.Hα-helixtrans-54.6-49.8175.8-175.3179.9177.1-175.80111.3E136 L142 R143 D144E136-K140 WeakPolarHBondContact O-CB 3.15Å; E136-K140 PolarHBondContact O-N 3.06Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.17Å; K140-R143 PolarHBondContact O-N 3.34Å; K140-D144 WeakPolarHBondContact O-CB 3.32Å; K140-D144 PolarHBondContact O-N 3.19Å
141R91.5Very high89.7Confident64 Ų6472.5 Ų72.524%0.24236%0.358CS..Hα-helixtrans-59.6-37.6177.7-73.3172.2-178.5-179.72.7112.8V137 L138 E139 R145 N179V137-R141 HydrophobicContact CG1-CG 4.48Å; V137-R141 WeakPolarHBondContact O-CB 3.08Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.46Å; V137-R141 PolarHBondContact O-N 2.96Å; L138-R141 PolarHBondContact O-N 2.83Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 2.97Å; R141-R145 WeakPolarHBondContact O-CG 3.44Å; R141-R145 PolarHBondContact O-N 3.4Å; R141-N179 PolarHBondContact NH1-O 3.3Å; R141-N179 PolarHBondContact NH2-O 3.44Å
142L88.4Confident89Confident2 Ų273.9 Ų73.91%0.0137%0.368CS..Hα-helixtrans-71.7-42.3178.5-72.6173.3000111.9L138 E139 K140 R145 L153 R156 L157L138-L142 HydrophobicContact CG-CD1 4.21Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.15Å; E139-L142 PolarHBondContact O-N 3.29Å; E139-L142 VanDerWaalsContact O-N 3.11Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.17Å; L142-R145 PolarHBondContact O-N 3.39Å; L142-L153 HydrophobicContact CB-CD1 3.46Å; L142-L153 VanDerWaalsContact CB-CD1 3.46Å; L142-L153 HydrophobicContact CD1-CD1 3.87Å; L142-L153 HydrophobicContact CG-CD1 4.29Å; L142-R156 HydrophobicContact CD1-CB 4.34Å; L142-L157 HydrophobicContact CD1-CD2 4Å
143R90.8Very high88.6Confident100 Ų10073.9 Ų73.938%0.37737%0.368SS..Hα-helixtrans-63.2-43.9175.3-70.7-175.8-179.5-71.5-3.2111.6E139 K140 R145 N146 E150 L153E139-R143 HydrophobicContact CG-CG 4.32Å; E139-R143 WeakPolarHBondContact O-CG 3.46Å; E139-R143 PolarHBondContact O-N 2.88Å; E139-R143 IonicContact OE1-CZ 3.74Å; E139-R143 IonicContact OE1-NE 3.66Å; E139-R143 PolarHBondContact OE1-NE 3.37Å; E139-R143 IonicContact OE1-NH2 2.72Å; E139-R143 PolarHBondContact OE1-NH2 2.98Å; K140-R143 PolarHBondContact O-N 3.34Å; R143-R145 PolarHBondContact O-N 2.93Å; R143-R145 VanDerWaalsContact O-N 3.15Å; R143-N146 PolarHBondContact O-N 2.7Å; R143-E150 IonicContact CZ-OE1 2.75Å; R143-E150 IonicContact CZ-OE2 2.81Å; R143-E150 IonicContact NH1-OE1 3.15Å; R143-E150 IonicContact NH1-OE2 2.85Å; R143-E150 PolarHBondContact NH1-OE2 3.44Å; R143-E150 IonicContact NH2-OE1 2.77Å; R143-E150 PolarHBondContact NH2-OE1 3.25Å; R143-E150 IonicContact NH2-OE2 3.64Å; R143-E150 PolarHBondContact NH2-OE2 2.68Å; R143-L153 HydrophobicContact CG-CD2 3.61Å; R143-L153 VanDerWaalsContact NH1-CD2 3.31Å
144D89.8Confident88.4Confident116 Ų11676.2 Ų76.262%0.6238%0.375SS*.Hα-helixtrans-61.1-25.2179.8-70.9-14.6000113K140 N146K140-D144 WeakPolarHBondContact O-CB 3.32Å; K140-D144 PolarHBondContact O-N 3.19Å; D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 3.21Å
145R83.1Confident87.9Confident145 Ų14580.7 Ų80.755%0.54739%0.391SS..THydrogen-bonded Turntrans-71.7-23.1175-70175.684.8-168.74.9112.7R141 L142 R143 T147R141-R145 WeakPolarHBondContact O-CG 3.44Å; R141-R145 PolarHBondContact O-N 3.4Å; L142-R145 PolarHBondContact O-N 3.39Å; R143-R145 PolarHBondContact O-N 2.93Å; R143-R145 VanDerWaalsContact O-N 3.15Å; R145-T147 WeakPolarHBondContact O-CG2 3.45Å; R145-T147 PolarHBondContact O-N 3.08Å; R145-T147 VanDerWaalsContact O-N 3.15Å
146N81.4Confident87.4Confident149 Ų14981.5 Ų81.580%0.79739%0.392SS*.THydrogen-bonded Turntrans51.235.9177.3-157.735.5000114.4R143 D144R143-N146 PolarHBondContact O-N 2.7Å; D144-N146 VanDerWaalsContact C-N 3.27Å; D144-N146 PolarHBondContact O-N 3.21Å
147T75.4Confident87.2Confident96 Ų9675.8 Ų75.859%0.58937%0.365SS*.  trans-111.3-2.4-179.854.20000113.8R145R145-T147 WeakPolarHBondContact O-CG2 3.45Å; R145-T147 PolarHBondContact O-N 3.08Å; R145-T147 VanDerWaalsContact O-N 3.15Å
148E74.5Confident87Confident44 Ų4479.8 Ų79.821%0.20638%0.381CS..SBendtrans-117.1145.1-171.2-53.1-69145.400110.7S152 L153 R156E148-S152 WeakPolarHBondContact OE2-CB 3.16Å; E148-S152 PolarHBondContact OE2-OG 2.72Å; E148-L153 HydrophobicContact CB-CB 4.41Å; E148-R156 IonicContact OE1-CZ 3.79Å; E148-R156 IonicContact OE1-NE 2.72Å; E148-R156 IonicContact OE1-NH1 2.7Å; E148-R156 PolarHBondContact OE1-NH1 3.37Å; E148-R156 IonicContact OE1-NH2 2.86Å; E148-R156 PolarHBondContact OE1-NH2 3.15Å; E148-R156 IonicContact OE2-CZ 2.72Å; E148-R156 IonicContact OE2-NE 3.69Å; E148-R156 PolarHBondContact OE2-NE 2.8Å; E148-R156 VanDerWaalsContact OE2-NE 3.15Å; E148-R156 IonicContact OE2-NH1 2.93Å; E148-R156 IonicContact OE2-NH2 3.2Å; E148-R156 PolarHBondContact OE2-NH2 3.01Å
149S85.8Confident86.6Confident73 Ų7381.4 Ų81.451%0.5139%0.394SS..  trans-73.7160.3159.765.10000110.3E151 S152 L153S149-E151 PolarHBondContact O-N 2.88Å; S149-S152 PolarHBondContact O-N 3.09Å; S149-S152 VanDerWaalsContact O-N 3.12Å; S149-S152 WeakPolarHBondContact OG-CB 3.31Å; S149-S152 PolarHBondContact OG-N 3.36Å; S149-L153 WeakPolarHBondContact O-CB 3.36Å; S149-L153 PolarHBondContact O-N 2.85Å
150E90.1Very high86.4Confident95 Ų9578.4 Ų78.444%0.44438%0.38SS..Hα-helixtrans-57.5-39.7177-168.960.2-145.700111.7R143 S152 L153 Q154R143-E150 IonicContact CZ-OE1 2.75Å; R143-E150 IonicContact CZ-OE2 2.81Å; R143-E150 IonicContact NH1-OE1 3.15Å; R143-E150 IonicContact NH1-OE2 2.85Å; R143-E150 PolarHBondContact NH1-OE2 3.44Å; R143-E150 IonicContact NH2-OE1 2.77Å; R143-E150 PolarHBondContact NH2-OE1 3.25Å; R143-E150 IonicContact NH2-OE2 3.64Å; R143-E150 PolarHBondContact NH2-OE2 2.68Å; E150-S152 PolarHBondContact O-N 2.56Å; E150-L153 WeakPolarHBondContact O-CB 3.4Å; E150-L153 PolarHBondContact O-N 2.95Å; E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.1Å; E150-Q154 PolarHBondContact OE1-NE2 3.33Å
151E87.5Confident86.2Confident129 Ų12975.6 Ų75.660%0.60337%0.372SS*.Hα-helixtrans-62.4-44.1176.6-167.1-164.215600112.3S149 L153 K155S149-E151 PolarHBondContact O-N 2.88Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.38Å; E151-K155 WeakPolarHBondContact OE1-CE 3.48Å; E151-K155 IonicContact OE1-NZ 3.22Å; E151-K155 PolarHBondContact OE1-NZ 3.16Å
152S79.2Confident86.1Confident37 Ų3776.3 Ų76.326%0.25938%0.383SS..Hα-helixtrans-66-38.6176.9-174.40000111.3E148 S149 E150 K155 R156E148-S152 WeakPolarHBondContact OE2-CB 3.16Å; E148-S152 PolarHBondContact OE2-OG 2.72Å; S149-S152 PolarHBondContact O-N 3.09Å; S149-S152 VanDerWaalsContact O-N 3.12Å; S149-S152 WeakPolarHBondContact OG-CB 3.31Å; S149-S152 PolarHBondContact OG-N 3.36Å; E150-S152 PolarHBondContact O-N 2.56Å; S152-K155 PolarHBondContact O-N 2.89Å; S152-R156 WeakPolarHBondContact O-CG 3.5Å; S152-R156 PolarHBondContact O-N 2.93Å
153L87.9Confident86Confident4 Ų477.5 Ų77.52%0.02139%0.389CS..Hα-helixtrans-61.1-50.3176.8178.665.3000111.4L142 R143 E148 S149 E150 E151 K155 R156 L157L142-L153 HydrophobicContact CB-CD1 3.46Å; L142-L153 VanDerWaalsContact CB-CD1 3.46Å; L142-L153 HydrophobicContact CD1-CD1 3.87Å; L142-L153 HydrophobicContact CG-CD1 4.29Å; R143-L153 HydrophobicContact CG-CD2 3.61Å; R143-L153 VanDerWaalsContact NH1-CD2 3.31Å; E148-L153 HydrophobicContact CB-CB 4.41Å; S149-L153 WeakPolarHBondContact O-CB 3.36Å; S149-L153 PolarHBondContact O-N 2.85Å; E150-L153 WeakPolarHBondContact O-CB 3.4Å; E150-L153 PolarHBondContact O-N 2.95Å; E151-L153 VanDerWaalsContact C-N 3.33Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.46Å; L153-R156 WeakPolarHBondContact O-CB 3.49Å; L153-R156 PolarHBondContact O-N 2.8Å; L153-L157 HydrophobicContact CD1-CD1 4.34Å; L153-L157 HydrophobicContact CD1-CG 4.32Å; L153-L157 HydrophobicContact CG-CD1 4.1Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.27Å
154Q90.1Very high86Confident93 Ų9374 Ų7444%0.43538%0.378SS..Hα-helixtrans-61-40.5179.8-67.1-56-37.200112.1E150 R156 L157 H158E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.1Å; E150-Q154 PolarHBondContact OE1-NE2 3.33Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 2.86Å; Q154-L157 PolarHBondContact O-N 2.67Å; Q154-H158 WeakPolarHBondContact O-CB 3.39Å; Q154-H158 PolarHBondContact O-N 2.97Å
155K85.3Confident86Confident125 Ų12573.3 Ų73.354%0.54337%0.371SS..Hα-helixtrans-60-40.6173.7-72.4176-173169.60112E151 S152 L153 A159E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.38Å; E151-K155 WeakPolarHBondContact OE1-CE 3.48Å; E151-K155 IonicContact OE1-NZ 3.22Å; E151-K155 PolarHBondContact OE1-NZ 3.16Å; S152-K155 PolarHBondContact O-N 2.89Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.46Å; K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 3.49Å
156R84.1Confident86.2Confident57 Ų5767 Ų6722%0.21535%0.347CS..Hα-helixtrans-70.4-38.8177.9-73.2-176-178.1-166.119.5113.2S21 L142 E148 S152 L153 Q154 A159 A160S21-R156 PolarHBondContact OG-NH1 3.28Å; L142-R156 HydrophobicContact CD1-CB 4.34Å; E148-R156 IonicContact OE1-CZ 3.79Å; E148-R156 IonicContact OE1-NE 2.72Å; E148-R156 IonicContact OE1-NH1 2.7Å; E148-R156 PolarHBondContact OE1-NH1 3.37Å; E148-R156 IonicContact OE1-NH2 2.86Å; E148-R156 PolarHBondContact OE1-NH2 3.15Å; E148-R156 IonicContact OE2-CZ 2.72Å; E148-R156 IonicContact OE2-NE 3.69Å; E148-R156 PolarHBondContact OE2-NE 2.8Å; E148-R156 VanDerWaalsContact OE2-NE 3.15Å; E148-R156 IonicContact OE2-NH1 2.93Å; E148-R156 IonicContact OE2-NH2 3.2Å; E148-R156 PolarHBondContact OE2-NH2 3.01Å; S152-R156 WeakPolarHBondContact O-CG 3.5Å; S152-R156 PolarHBondContact O-N 2.93Å; L153-R156 WeakPolarHBondContact O-CB 3.49Å; L153-R156 PolarHBondContact O-N 2.8Å; Q154-R156 VanDerWaalsContact C-N 3.31Å; Q154-R156 PolarHBondContact O-N 2.86Å; R156-A159 PolarHBondContact O-N 3.25Å; R156-A160 VanDerWaalsContact O-CB 3.24Å; R156-A160 WeakPolarHBondContact O-CB 3.44Å; R156-A160 PolarHBondContact O-N 3.2Å
157L90.8Very high86.6Confident13 Ų1360.4 Ų60.47%0.06831%0.313CS..Hα-helixtrans-65.5-41.3175.5-68.3174.3000111.2M135 L138 E139 L142 L153 Q154 A160 N161M135-L157 HydrophobicContact CE-CB 4.09Å; M135-L157 HydrophobicContact CE-CD2 3.95Å; M135-L157 VanDerWaalsContact CE-O 3.24Å; M135-L157 WeakPolarHBondContact CE-O 3.42Å; L138-L157 HydrophobicContact CD2-CD2 4.46Å; E139-L157 HydrophobicContact CB-CD1 4.09Å; E139-L157 HydrophobicContact CB-CD2 3.76Å; E139-L157 HydrophobicContact CG-CD1 3.84Å; E139-L157 HydrophobicContact CG-CD2 4.37Å; L142-L157 HydrophobicContact CD1-CD2 4Å; L153-L157 HydrophobicContact CD1-CD1 4.34Å; L153-L157 HydrophobicContact CD1-CG 4.32Å; L153-L157 HydrophobicContact CG-CD1 4.1Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.27Å; Q154-L157 PolarHBondContact O-N 2.67Å; L157-A160 PolarHBondContact O-N 3.15Å; L157-N161 PolarHBondContact O-N 2.6Å
158H89.6Confident87.3Confident132 Ų13262.1 Ų62.161%0.61131%0.312SS*.Hα-helixtrans-60.9-49.4174.2-176.972000111.9Q154 A160 N161 V162Q154-H158 WeakPolarHBondContact O-CB 3.39Å; Q154-H158 PolarHBondContact O-N 2.97Å; H158-A160 VanDerWaalsContact C-N 3.28Å; H158-A160 PolarHBondContact O-N 2.72Å; H158-N161 PolarHBondContact O-N 2.74Å; H158-V162 PolarHBondContact O-N 3.07Å
159A84.8Confident88.2Confident33 Ų3364.6 Ų64.627%0.27332%0.324SS..Hα-helixtrans-59.1-40.5175.800000111.8K155 R156 N161 V162 D163K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 3.49Å; R156-A159 PolarHBondContact O-N 3.25Å; A159-N161 PolarHBondContact O-N 3.48Å; A159-V162 PolarHBondContact O-N 3.12Å; A159-D163 PolarHBondContact O-N 2.75Å
160A90Very high88.4Confident2 Ų267.2 Ų67.22%0.01734%0.339CS..Hα-helixtrans-65-37.617900000113.5P20 M135 L138 R156 L157 H158 V162 D163 M164P20-A160 HydrophobicContact CB-CB 3.38Å; P20-A160 HydrophobicContact CG-CB 4.2Å; M135-A160 HydrophobicContact CE-CB 4.25Å; M135-A160 HydrophobicContact SD-CB 4.26Å; L138-A160 HydrophobicContact CD2-CB 3.26Å; R156-A160 VanDerWaalsContact O-CB 3.24Å; R156-A160 WeakPolarHBondContact O-CB 3.44Å; R156-A160 PolarHBondContact O-N 3.2Å; L157-A160 PolarHBondContact O-N 3.15Å; H158-A160 VanDerWaalsContact C-N 3.28Å; H158-A160 PolarHBondContact O-N 2.72Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-D163 PolarHBondContact O-N 3.3Å; A160-M164 WeakPolarHBondContact O-CB 3.42Å; A160-M164 VanDerWaalsContact O-CG 3.29Å; A160-M164 WeakPolarHBondContact O-CG 3.2Å; A160-M164 PolarHBondContact O-N 2.81Å
161N90.9Very high88.4Confident78 Ų7865.6 Ų65.642%0.41735%0.348SS..Hα-helixtrans-62.7-42.4175.4-168.348.4000111.1M135 L157 H158 A159 M164 E165M135-N161 HydrophobicContact CE-CB 4.27Å; M135-N161 HydrophobicContact SD-CB 4.4Å; L157-N161 PolarHBondContact O-N 2.6Å; H158-N161 PolarHBondContact O-N 2.74Å; A159-N161 PolarHBondContact O-N 3.48Å; N161-M164 PolarHBondContact O-N 3.07Å; N161-E165 PolarHBondContact O-N 3.4Å; N161-E165 VanDerWaalsContact O-N 3.15Å
162V88.9Confident88.6Confident80 Ų8061.4 Ų61.449%0.48533%0.329SS..Hα-helixtrans-63.5-44.4174.9177.60000111.2H158 A159 A160 M164 E165 F166H158-V162 PolarHBondContact O-N 3.07Å; A159-V162 PolarHBondContact O-N 3.12Å; A160-V162 VanDerWaalsContact C-N 3.32Å; V162-M164 VanDerWaalsContact C-N 3.34Å; V162-M164 PolarHBondContact O-N 3.44Å; V162-E165 PolarHBondContact O-N 3.19Å; V162-F166 WeakPolarHBondContact O-CB 3.49Å; V162-F166 PolarHBondContact O-N 3.38Å
163D87Confident89.4Confident26 Ų2660.7 Ų60.714%0.13932%0.321CS..Hα-helixtrans-61.4-41.5177.4-74.7-14.3000112.1M112 A159 A160 F166 S167M112-D163 WeakPolarHBondContact CB-OD1 3.3Å; M112-D163 HydrophobicContact CE-CB 4.03Å; M112-D163 WeakPolarHBondContact CE-O 3.33Å; A159-D163 PolarHBondContact O-N 2.75Å; A160-D163 PolarHBondContact O-N 3.3Å; D163-F166 PolarHBondContact O-N 3.12Å; D163-S167 WeakPolarHBondContact O-CB 3.23Å; D163-S167 PolarHBondContact O-N 3.2Å
164M89.6Confident89.9Confident28 Ų2865 Ų6514%0.13834%0.344CS..Hα-helixtrans-63.8-46.3179.5-79.7-179.875.200111.6P132 M135 A160 N161 V162 S167P132-M164 HydrophobicContact CG-CE 4.27Å; P132-M164 HydrophobicContact CG-SD 3.88Å; M135-M164 HydrophobicContact CG-SD 3.99Å; M135-M164 HydrophobicContact SD-SD 3.43Å; A160-M164 WeakPolarHBondContact O-CB 3.42Å; A160-M164 VanDerWaalsContact O-CG 3.29Å; A160-M164 WeakPolarHBondContact O-CG 3.2Å; A160-M164 PolarHBondContact O-N 2.81Å; N161-M164 PolarHBondContact O-N 3.07Å; V162-M164 VanDerWaalsContact C-N 3.34Å; V162-M164 PolarHBondContact O-N 3.44Å; M164-S167 PolarHBondContact O-N 3.03Å; M164-S167 PolarHBondContact O-OG 3.28Å
165E90.3Very high90.2Very high100 Ų10062.5 Ų62.547%0.46734%0.335SS..Hα-helixtrans-65.3-44.4176.6-68.2-48.5123.600111.8N161 V162 S167 K168N161-E165 PolarHBondContact O-N 3.4Å; N161-E165 VanDerWaalsContact O-N 3.15Å; V162-E165 PolarHBondContact O-N 3.19Å; E165-S167 PolarHBondContact O-N 2.85Å; E165-K168 VanDerWaalsContact CD-NZ 3.31Å; E165-K168 WeakPolarHBondContact O-CB 3.39Å; E165-K168 PolarHBondContact O-N 2.96Å; E165-K168 IonicContact OE1-NZ 2.83Å; E165-K168 PolarHBondContact OE1-NZ 3.37Å; E165-K168 IonicContact OE2-NZ 3.07Å; E165-K168 PolarHBondContact OE2-NZ 2.91Å
166F88.1Confident90.7Very high13 Ų1360 Ų606%0.05733%0.33CS..Hα-helixtrans-62.4-33.8178-173-86.4000112.4M112 K116 V162 D163 K168 E169 M172 F173M112-F166 HydrophobicContact CE-CB 4.16Å; M112-F166 HydrophobicContact CE-CD1 3.65Å; M112-F166 HydrophobicContact CE-CG 4.3Å; M112-F166 HydrophobicContact CG-CB 4.16Å; M112-F166 HydrophobicContact CG-CD1 3.21Å; M112-F166 HydrophobicContact CG-CD2 4.46Å; M112-F166 HydrophobicContact CG-CE1 3.54Å; M112-F166 HydrophobicContact CG-CG 3.66Å; M112-F166 HydrophobicContact CG-CZ 4.34Å; M112-F166 HydrophobicContact SD-CD1 3.03Å; M112-F166 WeakPolarHBondContact SD-CD1 3.47Å; M112-F166 HydrophobicContact SD-CE1 3.36Å; M112-F166 WeakPolarHBondContact SD-CE1 3.35Å; M112-F166 HydrophobicContact SD-CG 4.02Å; K116-F166 HydrophobicContact CD-CE2 4.22Å; K116-F166 HydrophobicContact CD-CZ 4.03Å; K116-F166 HydrophobicContact CG-CE1 4.32Å; K116-F166 HydrophobicContact CG-CE2 4.31Å; K116-F166 HydrophobicContact CG-CZ 3.65Å; V162-F166 WeakPolarHBondContact O-CB 3.49Å; V162-F166 PolarHBondContact O-N 3.38Å; D163-F166 PolarHBondContact O-N 3.12Å; F166-K168 PolarHBondContact O-N 2.87Å; F166-K168 VanDerWaalsContact O-N 3.15Å; F166-E169 VanDerWaalsContact CD2-CD 3.41Å; F166-E169 HydrophobicContact CD2-CG 4.4Å; F166-E169 WeakPolarHBondContact CD2-OE1 3.46Å; F166-E169 WeakPolarHBondContact CE2-OE2 3.24Å; F166-E169 VanDerWaalsContact O-CB 3.31Å; F166-E169 WeakPolarHBondContact O-CB 3.47Å; F166-E169 PolarHBondContact O-N 3.39Å; F166-M172 HydrophobicContact CD1-CB 4.44Å; F166-M172 HydrophobicContact CD1-CG 4.17Å; F166-M172 HydrophobicContact CE1-CB 3.94Å; F166-M172 HydrophobicContact CE1-CG 3.5Å; F166-M172 VanDerWaalsContact CE1-CG 3.5Å; F166-M172 HydrophobicContact CE1-SD 3.66Å; F166-M172 HydrophobicContact CE2-CG 4.28Å; F166-M172 HydrophobicContact CE2-SD 4.26Å; F166-M172 HydrophobicContact CZ-CB 4.48Å; F166-M172 HydrophobicContact CZ-CG 3.57Å; F166-M172 HydrophobicContact CZ-SD 3.31Å; F166-M172 WeakPolarHBondContact CZ-SD 3.5Å; F166-F173 HydrophobicContact CD1-CE2 4.42Å
167S89.4Confident91.3Very high10 Ų1057.5 Ų57.57%0.0732%0.321CS..Hα-helixtrans-63.5-19177.478.40000114.2S129 D163 M164 E165S129-S167 WeakPolarHBondContact OG-CB 3.24Å; D163-S167 WeakPolarHBondContact O-CB 3.23Å; D163-S167 PolarHBondContact O-N 3.2Å; M164-S167 PolarHBondContact O-N 3.03Å; M164-S167 PolarHBondContact O-OG 3.28Å; E165-S167 PolarHBondContact O-N 2.85Å
168K89.9Confident91.6Very high133 Ų13360.7 Ų60.758%0.57834%0.341SS*.THydrogen-bonded Turntrans-84.6-12175.9-58.2169.6-172.5168.30112.6E165 F166 P170E165-K168 VanDerWaalsContact CD-NZ 3.31Å; E165-K168 WeakPolarHBondContact O-CB 3.39Å; E165-K168 PolarHBondContact O-N 2.96Å; E165-K168 IonicContact OE1-NZ 2.83Å; E165-K168 PolarHBondContact OE1-NZ 3.37Å; E165-K168 IonicContact OE2-NZ 3.07Å; E165-K168 PolarHBondContact OE2-NZ 2.91Å; F166-K168 PolarHBondContact O-N 2.87Å; F166-K168 VanDerWaalsContact O-N 3.15Å; K168-P170 WeakPolarHBondContact O-CD 3.46Å
169E92.4Very high92Very high95 Ų9554.9 Ų54.944%0.44431%0.314SS..SBendtrans-64.8126.8179.2-70-177-161.900110.7F166 G171 M172F166-E169 VanDerWaalsContact CD2-CD 3.41Å; F166-E169 HydrophobicContact CD2-CG 4.4Å; F166-E169 WeakPolarHBondContact CD2-OE1 3.46Å; F166-E169 WeakPolarHBondContact CE2-OE2 3.24Å; F166-E169 VanDerWaalsContact O-CB 3.31Å; F166-E169 WeakPolarHBondContact O-CB 3.47Å; F166-E169 PolarHBondContact O-N 3.39Å; E169-G171 PolarHBondContact O-N 3.25Å; E169-M172 HydrophobicContact CB-CB 4.43Å; E169-M172 HydrophobicContact CB-CG 3.61Å; E169-M172 WeakPolarHBondContact O-CB 3.31Å; E169-M172 PolarHBondContact O-N 3.46Å
170P90.9Very high92.5Very high128 Ų12858.7 Ų58.783%0.83133%0.33SS*.THydrogen-bonded Turntrans-55.9134.3180-27.435.3000112.9K168 M172K168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-M172 VanDerWaalsContact C-N 3.27Å; P170-M172 PolarHBondContact O-N 3.45Å
171G89.9Confident92.8Very high61 Ų6162.3 Ų62.363%0.62935%0.349SS*.THydrogen-bonded Turntrans78.72.3178.200000114.9K119 E169K119-G171 PolarHBondContact NZ-O 3.17Å; E169-G171 PolarHBondContact O-N 3.25Å
172M92.2Very high93Very high41 Ų4161.7 Ų61.720%0.20235%0.345CS..SBendtrans-76.8-41.3176-71-52.6111.700113K119 F166 E169 P170K119-M172 HydrophobicContact CD-CE 4.29Å; K119-M172 HydrophobicContact CD-SD 3.96Å; K119-M172 WeakPolarHBondContact CE-O 3.43Å; K119-M172 PolarHBondContact NZ-O 2.84Å; F166-M172 HydrophobicContact CD1-CB 4.44Å; F166-M172 HydrophobicContact CD1-CG 4.17Å; F166-M172 HydrophobicContact CE1-CB 3.94Å; F166-M172 HydrophobicContact CE1-CG 3.5Å; F166-M172 VanDerWaalsContact CE1-CG 3.5Å; F166-M172 HydrophobicContact CE1-SD 3.66Å; F166-M172 HydrophobicContact CE2-CG 4.28Å; F166-M172 HydrophobicContact CE2-SD 4.26Å; F166-M172 HydrophobicContact CZ-CB 4.48Å; F166-M172 HydrophobicContact CZ-CG 3.57Å; F166-M172 HydrophobicContact CZ-SD 3.31Å; F166-M172 WeakPolarHBondContact CZ-SD 3.5Å; E169-M172 HydrophobicContact CB-CB 4.43Å; E169-M172 HydrophobicContact CB-CG 3.61Å; E169-M172 WeakPolarHBondContact O-CB 3.31Å; E169-M172 PolarHBondContact O-N 3.46Å; P170-M172 VanDerWaalsContact C-N 3.27Å; P170-M172 PolarHBondContact O-N 3.45Å
173F96.2Very high93.3Very high22 Ų2262.7 Ų62.710%0.09635%0.345CS..  trans-127.1141.9178.7-65.9-83.9000110.6M112 V115 S129 F166 V175 V176M112-F173 HydrophobicContact CE-CE2 3.88Å; M112-F173 HydrophobicContact CE-CZ 3.86Å; M112-F173 HydrophobicContact SD-CE2 3.75Å; M112-F173 HydrophobicContact SD-CZ 3.55Å; M112-F173 VanDerWaalsContact SD-CZ 3.55Å; V115-F173 HydrophobicContact CG1-CE1 4.31Å; V115-F173 HydrophobicContact CG1-CZ 4.16Å; V115-F173 HydrophobicContact CG2-CE1 4.06Å; V115-F173 HydrophobicContact CG2-CZ 4.06Å; S129-F173 VanDerWaalsContact CB-CD1 3.49Å; S129-F173 VanDerWaalsContact CB-CG 3.5Å; F166-F173 HydrophobicContact CD1-CE2 4.42Å; F173-V175 VanDerWaalsContact C-N 3.32Å; F173-V176 HydrophobicContact CB-CG2 4.1Å
174D96.8Very high93.8Very high95 Ų9565.9 Ų65.951%0.50836%0.362SS..SBendtrans-73.3-33.5171.3-59.8-60.1000109.9M126 Y127M126-D174 WeakPolarHBondContact CA-OD2 3.36Å; M126-D174 HydrophobicContact CG-CB 4.22Å; Y127-D174 PolarHBondContact N-OD2 3.45Å; Y127-D174 PolarHBondContact O-N 2.96Å
175V96.5Very high94.3Very high41 Ų4164.6 Ų64.625%0.24836%0.356CS..EExtended strand (participates in β ladder)trans-140132.7-179.8-170.20000110.5Y127 I128 S129 F173 I177 A192Y127-V175 PolarHBondContact O-N 3.37Å; Y127-V175 VanDerWaalsContact O-N 3.17Å; I128-V175 WeakPolarHBondContact CA-O 3.45Å; I128-V175 HydrophobicContact CG1-CB 4.36Å; I128-V175 HydrophobicContact CG2-CB 4.5Å; S129-V175 PolarHBondContact N-O 3.34Å; F173-V175 VanDerWaalsContact C-N 3.32Å; V175-I177 HydrophobicContact CG1-CD1 4.23Å; V175-I177 HydrophobicContact CG1-CG1 3.76Å; V175-A192 HydrophobicContact CG1-CB 4.28Å; V175-A192 HydrophobicContact CG2-CB 3.92Å
176V96.4Very high94.6Very high73 Ų7360.2 Ų60.244%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-113.5122168.9-175.30000108.5S129 Q131 F173S129-V176 WeakPolarHBondContact O-CA 3.39Å; Q131-V176 HydrophobicContact CG-CG1 3.9Å; F173-V176 HydrophobicContact CB-CG2 4.1Å
177I97.4Very high95.1Very high3 Ų366.3 Ų66.32%0.01536%0.362CS..EExtended strand (participates in β ladder)trans-114.9117.4-177.8-56.4179.2000108.7I128 S129 I130 Q131 V175 A185 N188 L189I128-I177 HydrophobicContact CG2-CD1 3.86Å; I128-I177 HydrophobicContact CG2-CG1 4.29Å; S129-I177 PolarHBondContact O-N 3.01Å; I130-I177 WeakPolarHBondContact CA-O 3.4Å; I130-I177 HydrophobicContact CD1-CB 3.88Å; I130-I177 HydrophobicContact CD1-CD1 4.01Å; I130-I177 HydrophobicContact CD1-CG1 4.32Å; I130-I177 HydrophobicContact CD1-CG2 4.44Å; Q131-I177 PolarHBondContact N-O 3.36Å; V175-I177 HydrophobicContact CG1-CD1 4.23Å; V175-I177 HydrophobicContact CG1-CG1 3.76Å; I177-A185 HydrophobicContact CG2-CB 3.83Å; I177-N188 HydrophobicContact CG2-CB 4.41Å; I177-L189 VanDerWaalsContact CD1-CA 3.49Å; I177-L189 HydrophobicContact CD1-CB 3.69Å; I177-L189 HydrophobicContact CD1-CD1 3.92Å; I177-L189 HydrophobicContact CD1-CG 4.43Å
178V96.9Very high95.5Very high81 Ų8170.1 Ų70.149%0.49138%0.381SS..EExtended strand (participates in β ladder)trans-83.1118171.6-177.90000109.2Q131 P133 D180Q131-V178 CarbonylContact O-C 3.58Å; Q131-V178 WeakPolarHBondContact O-CA 3.31Å; P133-V178 HydrophobicContact CB-CG1 4.15Å; V178-D180 HydrophobicContact CG1-CB 4.45Å; V178-D180 PolarHBondContact O-N 2.85Å
179N96.9Very high95.9Very high9 Ų963.8 Ų63.85%0.04835%0.353CS..  trans-93.767.6179.1-174.624.3000111.4A23 I130 Q131 R141 A185A23-N179 WeakPolarHBondContact O-CB 3.4Å; A23-N179 PolarHBondContact O-ND2 3.38Å; I130-N179 HydrophobicContact CG2-CB 4.1Å; Q131-N179 PolarHBondContact O-N 2.78Å; R141-N179 PolarHBondContact NH1-O 3.3Å; R141-N179 PolarHBondContact NH2-O 3.44Å; N179-A185 HydrophobicContact CB-CB 4.1Å
180D95.4Very high96.1Very high113 Ų11362.4 Ų62.460%0.60435%0.346SS*.SBendtrans-81.4-58.7169.9-168.823.9000110.4P133 V178P133-D180 HydrophobicContact CB-CB 3.93Å; P133-D180 HydrophobicContact CG-CB 4.2Å; V178-D180 HydrophobicContact CG1-CB 4.45Å; V178-D180 PolarHBondContact O-N 2.85Å
181N96Very high96.4Very high79 Ų7962.5 Ų62.542%0.42234%0.335SS..SBendtrans-103127169.3-176-65.6000110.5E183 D184 A185N181-E183 PolarHBondContact O-N 2.97Å; N181-E183 PolarHBondContact OD1-N 3.24Å; N181-D184 HydrophobicContact CB-CB 4.19Å; N181-D184 WeakPolarHBondContact CB-OD2 3.29Å; N181-D184 PolarHBondContact O-N 3.44Å; N181-D184 PolarHBondContact OD1-N 2.99Å; N181-A185 VanDerWaalsContact O-CB 3.31Å; N181-A185 WeakPolarHBondContact O-CB 3.36Å; N181-A185 PolarHBondContact O-N 3.46Å
182L94.7Very high96.8Very high64 Ų6460.8 Ų60.834%0.33532%0.315SS..Hα-helixtrans-61.5-40.4-176178.963.8000113.1T27 L28 Y186T27-L182 HydrophobicContact CG2-CD1 3.82Å; T27-L182 HydrophobicContact CG2-CD2 3.96Å; L28-L182 HydrophobicContact CD2-CD1 3.73Å; L28-L182 HydrophobicContact CG-CD1 4.27Å; L182-Y186 WeakPolarHBondContact O-CB 3.4Å; L182-Y186 PolarHBondContact O-N 3.28Å
183E96.9Very high97Very high102 Ų10258.9 Ų58.948%0.47731%0.306SS..Hα-helixtrans-72.5-40.1-176.5-65.4-57.9135.800111.2K31 N181 Y186 K187K31-E183 IonicContact NZ-OE1 3.68Å; K31-E183 PolarHBondContact NZ-OE1 3Å; K31-E183 IonicContact NZ-OE2 2.67Å; K31-E183 PolarHBondContact NZ-OE2 2.62Å; N181-E183 PolarHBondContact O-N 2.97Å; N181-E183 PolarHBondContact OD1-N 3.24Å; E183-Y186 PolarHBondContact O-N 3.44Å; E183-K187 WeakPolarHBondContact O-CB 3.37Å; E183-K187 PolarHBondContact O-N 3.31Å
184D97.8Very high97Very high93 Ų9360.8 Ų60.850%0.49732%0.317SS..Hα-helixtrans-66.5-45.1175.5-65.8-36.2000111.6N181 Y186 K187 N188N181-D184 HydrophobicContact CB-CB 4.19Å; N181-D184 WeakPolarHBondContact CB-OD2 3.29Å; N181-D184 PolarHBondContact O-N 3.44Å; N181-D184 PolarHBondContact OD1-N 2.99Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; D184-Y186 PolarHBondContact O-N 3.15Å; D184-K187 WeakPolarHBondContact O-CB 3.47Å; D184-K187 PolarHBondContact O-N 2.87Å; D184-N188 VanDerWaalsContact O-CG 3.29Å; D184-N188 PolarHBondContact O-N 2.71Å; D184-N188 PolarHBondContact O-ND2 3.45Å
185A98.1Very high97Very high1 Ų163.1 Ų63.11%0.00833%0.325CS..Hα-helixtrans-60-41175.800000111.7L28 I177 N179 N181 N188 L189L28-A185 HydrophobicContact CD1-CB 4.48Å; L28-A185 HydrophobicContact CD2-CB 4.23Å; I177-A185 HydrophobicContact CG2-CB 3.83Å; N179-A185 HydrophobicContact CB-CB 4.1Å; N181-A185 VanDerWaalsContact O-CB 3.31Å; N181-A185 WeakPolarHBondContact O-CB 3.36Å; N181-A185 PolarHBondContact O-N 3.46Å; A185-N188 PolarHBondContact O-N 3.26Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.06Å
186Y98.2Very high96.9Very high8 Ų862 Ų623%0.03132%0.316CS..Hα-helixtrans-68.7-39.7177-177.6-106.7000112.9L28 K31 L32 E35 L182 E183 D184 N188 L189 K190L28-Y186 HydrophobicContact CD2-CD2 4.19Å; K31-Y186 HydrophobicContact CB-CD2 4.06Å; K31-Y186 HydrophobicContact CB-CE2 3.84Å; K31-Y186 HydrophobicContact CD-CD1 3.71Å; K31-Y186 HydrophobicContact CD-CD2 3.8Å; K31-Y186 HydrophobicContact CD-CE1 3.94Å; K31-Y186 HydrophobicContact CD-CE2 4.06Å; K31-Y186 HydrophobicContact CD-CG 3.6Å; K31-Y186 VanDerWaalsContact CE-CG 3.49Å; K31-Y186 HydrophobicContact CG-CD1 4.25Å; K31-Y186 HydrophobicContact CG-CD2 3.96Å; K31-Y186 HydrophobicContact CG-CE1 3.97Å; K31-Y186 HydrophobicContact CG-CE2 3.72Å; K31-Y186 HydrophobicContact CG-CG 4.21Å; K31-Y186 PolarHBondContact O-OH 2.86Å; L32-Y186 WeakPolarHBondContact CA-OH 3.25Å; L32-Y186 HydrophobicContact CB-CE2 4Å; L32-Y186 HydrophobicContact CD1-CE2 4.27Å; E35-Y186 WeakPolarHBondContact CB-OH 3.49Å; E35-Y186 WeakPolarHBondContact OE2-CE1 3.47Å; E35-Y186 VanDerWaalsContact OE2-CZ 3.23Å; E35-Y186 PolarHBondContact OE2-OH 3.26Å; L182-Y186 WeakPolarHBondContact O-CB 3.4Å; L182-Y186 PolarHBondContact O-N 3.28Å; E183-Y186 PolarHBondContact O-N 3.44Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; D184-Y186 PolarHBondContact O-N 3.15Å; Y186-N188 VanDerWaalsContact C-N 3.32Å; Y186-N188 PolarHBondContact O-N 3.41Å; Y186-L189 PolarHBondContact O-N 3.15Å; Y186-K190 PolarHBondContact O-N 3.37Å
187K97.9Very high96.9Very high141 Ų14158.5 Ų58.561%0.61330%0.296SS*.Hα-helixtrans-58.8-45.7173.7-175.9-174178.2-174.60111E183 D184 K190 Q191E183-K187 WeakPolarHBondContact O-CB 3.37Å; E183-K187 PolarHBondContact O-N 3.31Å; D184-K187 WeakPolarHBondContact O-CB 3.47Å; D184-K187 PolarHBondContact O-N 2.87Å; K187-K190 PolarHBondContact O-N 3.49Å; K187-Q191 WeakPolarHBondContact O-CB 3.37Å; K187-Q191 PolarHBondContact O-N 2.97Å
188N97.9Very high96.9Very high89 Ų8961.7 Ų61.748%0.47631%0.312SS..Hα-helixtrans-63.5-41.6177.1-67.9-17.1000111.7I177 D184 A185 Y186 Q191 A192I177-N188 HydrophobicContact CG2-CB 4.41Å; D184-N188 VanDerWaalsContact O-CG 3.29Å; D184-N188 PolarHBondContact O-N 2.71Å; D184-N188 PolarHBondContact O-ND2 3.45Å; A185-N188 PolarHBondContact O-N 3.26Å; Y186-N188 VanDerWaalsContact C-N 3.32Å; Y186-N188 PolarHBondContact O-N 3.41Å; N188-Q191 PolarHBondContact O-N 3.27Å; N188-A192 PolarHBondContact O-N 2.88Å
189L97.9Very high96.8Very high0 Ų063.2 Ų63.20%031%0.313CS..Hα-helixtrans-61-47.3176177.659.7000112F17 L28 L32 I128 I177 A185 Y186 Q191 A192 L193F17-L189 HydrophobicContact CE1-CD1 3.53Å; F17-L189 HydrophobicContact CE1-CD2 3.88Å; F17-L189 HydrophobicContact CE1-CG 4.35Å; F17-L189 HydrophobicContact CZ-CD1 3.67Å; F17-L189 HydrophobicContact CZ-CD2 4.18Å; F17-L189 HydrophobicContact CZ-CG 4.47Å; L28-L189 HydrophobicContact CB-CD2 3.96Å; L32-L189 HydrophobicContact CD2-CD2 4.39Å; I128-L189 HydrophobicContact CD1-CD1 3.7Å; I128-L189 HydrophobicContact CG2-CD1 4.18Å; I177-L189 VanDerWaalsContact CD1-CA 3.49Å; I177-L189 HydrophobicContact CD1-CB 3.69Å; I177-L189 HydrophobicContact CD1-CD1 3.92Å; I177-L189 HydrophobicContact CD1-CG 4.43Å; A185-L189 WeakPolarHBondContact O-CB 3.44Å; A185-L189 PolarHBondContact O-N 3.06Å; Y186-L189 PolarHBondContact O-N 3.15Å; L189-Q191 VanDerWaalsContact C-N 3.3Å; L189-Q191 PolarHBondContact O-N 3.48Å; L189-A192 PolarHBondContact O-N 2.93Å; L189-L193 HydrophobicContact CD1-CD1 3.8Å; L189-L193 HydrophobicContact CD1-CG 4.38Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 PolarHBondContact O-N 3.15Å; L189-L193 VanDerWaalsContact O-N 3.15Å
190K97.1Very high96.6Very high66 Ų6663 Ų6329%0.28731%0.312SS..Hα-helixtrans-62.6-40.5178.3-175.8165.570.9-170.80111.3E35 Y186 K187 L193 L194E35-K190 IonicContact OE1-NZ 3.69Å; E35-K190 PolarHBondContact OE1-NZ 3.28Å; E35-K190 IonicContact OE2-NZ 2.69Å; Y186-K190 PolarHBondContact O-N 3.37Å; K187-K190 PolarHBondContact O-N 3.49Å; K190-L193 PolarHBondContact O-N 3.29Å; K190-L194 WeakPolarHBondContact O-CA 3.39Å; K190-L194 WeakPolarHBondContact O-CB 3.26Å; K190-L194 PolarHBondContact O-N 2.89Å
191Q97.6Very high96.6Very high130 Ų13062.5 Ų62.561%0.60730%0.304SS*.Hα-helixtrans-62.1-44177.1-174.859.138.500111.6K187 N188 L189 L193 L194K187-Q191 WeakPolarHBondContact O-CB 3.37Å; K187-Q191 PolarHBondContact O-N 2.97Å; N188-Q191 PolarHBondContact O-N 3.27Å; L189-Q191 VanDerWaalsContact C-N 3.3Å; L189-Q191 PolarHBondContact O-N 3.48Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.32Å; Q191-L194 WeakPolarHBondContact O-CB 3.48Å; Q191-L194 PolarHBondContact O-N 2.9Å
192A97.5Very high96.4Very high25 Ų2565.9 Ų65.921%0.20732%0.315CS..Hα-helixtrans-59.9-37.4176.800000112.9I128 V175 N188 L189I128-A192 HydrophobicContact CD1-CB 4.46Å; V175-A192 HydrophobicContact CG1-CB 4.28Å; V175-A192 HydrophobicContact CG2-CB 3.92Å; N188-A192 PolarHBondContact O-N 2.88Å; L189-A192 PolarHBondContact O-N 2.93Å
193L97.4Very high96.1Very high2 Ų265.3 Ų65.31%0.0132%0.32CS..Hα-helixtrans-93.9-1-176.8-66.5173.2000114.1V15 F17 L32 F40 M126 I128 L189 K190 Q191 E195 E196 I197V15-L193 HydrophobicContact CB-CD2 4.36Å; V15-L193 HydrophobicContact CG2-CD2 3.99Å; F17-L193 HydrophobicContact CZ-CD1 4.14Å; L32-L193 HydrophobicContact CD1-CD1 4.39Å; L32-L193 HydrophobicContact CD2-CD1 3.68Å; F40-L193 HydrophobicContact CE1-CD1 4.26Å; F40-L193 HydrophobicContact CZ-CD1 4.23Å; M126-L193 HydrophobicContact SD-CD2 3.79Å; I128-L193 HydrophobicContact CD1-CD1 4.27Å; I128-L193 HydrophobicContact CD1-CD2 3.88Å; I128-L193 HydrophobicContact CD1-CG 3.98Å; L189-L193 HydrophobicContact CD1-CD1 3.8Å; L189-L193 HydrophobicContact CD1-CG 4.38Å; L189-L193 HydrophobicContact CG-CD1 4.23Å; L189-L193 PolarHBondContact O-N 3.15Å; L189-L193 VanDerWaalsContact O-N 3.15Å; K190-L193 PolarHBondContact O-N 3.29Å; Q191-L193 VanDerWaalsContact C-N 3.28Å; Q191-L193 PolarHBondContact O-N 3.32Å; L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 3.11Å; L193-E196 PolarHBondContact O-N 2.94Å; L193-I197 HydrophobicContact CB-CD1 3.85Å; L193-I197 HydrophobicContact CB-CG1 4.28Å; L193-I197 WeakPolarHBondContact O-CB 3.24Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.42Å; L193-I197 PolarHBondContact O-N 3.46Å
194L96.4Very high95.5Very high62 Ų6264.3 Ų64.333%0.32531%0.314SS..Hα-helixtrans-58.5-42.9-168.6-177.261.3000112.7K190 Q191 N198K190-L194 WeakPolarHBondContact O-CA 3.39Å; K190-L194 WeakPolarHBondContact O-CB 3.26Å; K190-L194 PolarHBondContact O-N 2.89Å; Q191-L194 WeakPolarHBondContact O-CB 3.48Å; Q191-L194 PolarHBondContact O-N 2.9Å; L194-N198 WeakPolarHBondContact O-CB 3.48Å; L194-N198 PolarHBondContact O-N 2.86Å; L194-N198 PolarHBondContact O-ND2 3.24Å
195E95.8Very high94.9Very high144 Ų14464.1 Ų64.167%0.67333%0.325SS*.Hα-helixtrans-63.8-46.1179.5-66.1-173.3177.700112L193 N198 K199L193-E195 VanDerWaalsContact C-N 3.32Å; L193-E195 PolarHBondContact O-N 3.11Å; E195-N198 PolarHBondContact O-N 3.05Å; E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 2.8Å
196E95.5Very high93.9Very high16 Ų1669.2 Ų69.28%0.07536%0.361CS..Hα-helixtrans-66.8-41.2179.3-62.8-54.4143.900111.5I105 L193 N198 K199 V200I105-E196 HydrophobicContact CD1-CB 3.7Å; L193-E196 PolarHBondContact O-N 2.94Å; E196-N198 VanDerWaalsContact C-N 3.3Å; E196-N198 PolarHBondContact O-N 3.26Å; E196-K199 PolarHBondContact O-N 3.38Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 3.01Å; E196-K199 IonicContact OE2-NZ 3.66Å; E196-V200 PolarHBondContact O-N 3Å; E196-V200 VanDerWaalsContact O-N 3.14Å
197I96.3Very high92.4Very high1 Ų176 Ų761%0.00541%0.41CS..Hα-helixtrans-57.3-46.3173.2-69.4164.6000110.4V39 F40 L193 V200 K201V39-I197 HydrophobicContact CG1-CB 4.4Å; V39-I197 HydrophobicContact CG1-CG1 4.13Å; V39-I197 HydrophobicContact CG1-CG2 4.35Å; F40-I197 HydrophobicContact CE2-CD1 4.22Å; F40-I197 HydrophobicContact CE2-CG1 3.99Å; F40-I197 HydrophobicContact CZ-CD1 3.88Å; F40-I197 HydrophobicContact CZ-CG1 3.55Å; L193-I197 HydrophobicContact CB-CD1 3.85Å; L193-I197 HydrophobicContact CB-CG1 4.28Å; L193-I197 WeakPolarHBondContact O-CB 3.24Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.42Å; L193-I197 PolarHBondContact O-N 3.46Å; I197-V200 PolarHBondContact O-N 2.9Å; I197-K201 HydrophobicContact CG2-CD 4.08Å; I197-K201 HydrophobicContact CG2-CG 4.45Å; I197-K201 WeakPolarHBondContact O-CG 3.49Å; I197-K201 PolarHBondContact O-N 2.95Å
198N95.8Very high92.2Very high69 Ų6972.8 Ų72.837%0.36940%0.399SS..Hα-helixtrans-66.3-37.7-179.3-74.8-23.8000112.2L194 E195 E196 K201 K202L194-N198 WeakPolarHBondContact O-CB 3.48Å; L194-N198 PolarHBondContact O-N 2.86Å; L194-N198 PolarHBondContact O-ND2 3.24Å; E195-N198 PolarHBondContact O-N 3.05Å; E196-N198 VanDerWaalsContact C-N 3.3Å; E196-N198 PolarHBondContact O-N 3.26Å; N198-K201 PolarHBondContact O-N 2.98Å; N198-K202 WeakPolarHBondContact O-CB 3.43Å; N198-K202 VanDerWaalsContact O-CG 3.26Å; N198-K202 WeakPolarHBondContact O-CG 3.4Å; N198-K202 PolarHBondContact O-N 3.44Å
199K94.5Very high91.9Very high114 Ų11471.9 Ų71.950%0.49640%0.395SS..Hα-helixtrans-59.1-47.7174.4-73.1169.1-171.6170.50111.3E195 E196 K202 A203E195-K199 WeakPolarHBondContact O-CG 3.43Å; E195-K199 PolarHBondContact O-N 2.8Å; E196-K199 PolarHBondContact O-N 3.38Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 3.01Å; E196-K199 IonicContact OE2-NZ 3.66Å; K199-K202 PolarHBondContact O-N 3.43Å; K199-A203 PolarHBondContact O-N 3.45Å
200V94.7Very high91.5Very high5 Ų575.9 Ų75.93%0.0342%0.417CS..Hα-helixtrans-65.4-45.5178.5173.30000112.1P12 V39 N103 I105 E196 I197 K202 A203 K204P12-V200 HydrophobicContact CB-CG2 3.69Å; P12-V200 HydrophobicContact CG-CG2 3.57Å; V39-V200 HydrophobicContact CG1-CB 4.26Å; V39-V200 HydrophobicContact CG1-CG1 4.25Å; N103-V200 WeakPolarHBondContact O-CG1 3.42Å; I105-V200 HydrophobicContact CD1-CG2 4.15Å; I105-V200 HydrophobicContact CG1-CG2 3.82Å; E196-V200 PolarHBondContact O-N 3Å; E196-V200 VanDerWaalsContact O-N 3.14Å; I197-V200 PolarHBondContact O-N 2.9Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.39Å; V200-A203 PolarHBondContact O-N 3.24Å; V200-K204 WeakPolarHBondContact O-CG 3.08Å; V200-K204 PolarHBondContact O-N 2.66Å; V200-K204 VanDerWaalsContact O-N 3.08Å
201K93.8Very high91.2Very high102 Ų10276.5 Ų76.544%0.44343%0.425SS..Hα-helixtrans-60.6-41178.2-74.9-175.1174.4-171.90112.3V39 I197 N198 K204 A205V39-K201 HydrophobicContact CG2-CG 4.19Å; I197-K201 HydrophobicContact CG2-CD 4.08Å; I197-K201 HydrophobicContact CG2-CG 4.45Å; I197-K201 WeakPolarHBondContact O-CG 3.49Å; I197-K201 PolarHBondContact O-N 2.95Å; N198-K201 PolarHBondContact O-N 2.98Å; K201-K204 PolarHBondContact O-N 3.47Å; K201-A205 PolarHBondContact O-N 2.88Å; K201-A205 VanDerWaalsContact O-N 3.09Å
202K92.1Very high90.8Very high149 Ų14973.2 Ų73.265%0.64841%0.414SS*.Hα-helixtrans-64-47.5175.8-75.3175.9-178.8-177.20111.8N198 K199 V200 K204 A205 S206N198-K202 WeakPolarHBondContact O-CB 3.43Å; N198-K202 VanDerWaalsContact O-CG 3.26Å; N198-K202 WeakPolarHBondContact O-CG 3.4Å; N198-K202 PolarHBondContact O-N 3.44Å; K199-K202 PolarHBondContact O-N 3.43Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.39Å; K202-K204 PolarHBondContact O-N 2.74Å; K202-A205 PolarHBondContact O-N 2.88Å; K202-A205 VanDerWaalsContact O-N 3.11Å; K202-S206 PolarHBondContact O-N 2.85Å; K202-S206 PolarHBondContact O-OG 2.98Å
203A89.3Confident90.4Very high53 Ų5376.4 Ų76.444%0.43843%0.427SS..Hα-helixtrans-56.6-40.4178.200000111.9K199 V200 S206 S207K199-A203 PolarHBondContact O-N 3.45Å; V200-A203 PolarHBondContact O-N 3.24Å; A203-S206 PolarHBondContact O-N 3.2Å; A203-S207 PolarHBondContact O-N 2.63Å; A203-S207 PolarHBondContact O-OG 3.21Å
204K84.3Confident89.9Confident81 Ų8181.7 Ų81.735%0.35246%0.457SS..Hα-helixtrans-69.2-35.4176.5-71.5-169.4174.3-158.30114.3N38 V200 K201 K202 S206 S207N38-K204 WeakPolarHBondContact O-CE 3.38Å; N38-K204 PolarHBondContact O-NZ 2.81Å; V200-K204 WeakPolarHBondContact O-CG 3.08Å; V200-K204 PolarHBondContact O-N 2.66Å; V200-K204 VanDerWaalsContact O-N 3.08Å; K201-K204 PolarHBondContact O-N 3.47Å; K202-K204 PolarHBondContact O-N 2.74Å; K204-S206 PolarHBondContact O-N 2.77Å; K204-S207 PolarHBondContact O-N 3.32Å
205A85.3Confident89.4Confident88 Ų8883.2 Ų83.273%0.72747%0.467SS*.Hα-helixtrans-70.6-17176.300000112.8K201 K202K201-A205 PolarHBondContact O-N 2.88Å; K201-A205 VanDerWaalsContact O-N 3.09Å; K202-A205 PolarHBondContact O-N 2.88Å; K202-A205 VanDerWaalsContact O-N 3.11Å
206S76.1Confident88.8Confident109 Ų10978.2 Ų78.276%0.76245%0.45SS*.THydrogen-bonded Turntrans-102.21.2178.3-54.80000114K202 A203 K204K202-S206 PolarHBondContact O-N 2.85Å; K202-S206 PolarHBondContact O-OG 2.98Å; A203-S206 PolarHBondContact O-N 3.2Å; K204-S206 PolarHBondContact O-N 2.77Å
207S68.3Low88.2Confident151 Ų15183.8 Ų83.8100%1.05648%0.484SS*.  trans-103.50178-54.20000110.5A203 K204A203-S207 PolarHBondContact O-N 2.63Å; A203-S207 PolarHBondContact O-OG 3.21Å; K204-S207 PolarHBondContact O-N 3.32Å

Retrieved 207 of 207 residues in 243.4 ms (Link to these results)

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