G4VQZ4_SCHMA Loading...

L-lactate dehydrogenase

AlphaFold DB , UniProt , Accession G4VQZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M59.4Low79.9Confident233 Ų233128.7 Ų128.7100%1.14870%0.7SS**  0140.10-66.2-174.2-164.500108.1
2P71.1Confident80.7Confident91 Ų91130.4 Ų130.459%0.59172%0.717SS**  trans-56.7142.2170.824.4-30.9000109.2S4 N6P2-S4 PolarHBondContact O-N 2.79Å; P2-N6 HydrophobicContact CB-CB 4.5Å
3L74.3Confident81.2Confident124 Ų124125.3 Ų125.365%0.64970%0.702SS**  trans-55.3138.8172-71.4165.8000108.4S5 N6L3-S5 WeakPolarHBondContact CB-OG 3.5Å; L3-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact O-N 3.08Å; L3-N6 WeakPolarHBondContact O-CB 3.48Å; L3-N6 PolarHBondContact O-N 2.96Å
4S80.5Confident81.5Confident100 Ų100121.1 Ų121.170%0.69969%0.685SS**Hα-helixtrans-54.9-29.5178.851.90000112.3P2 N6 L7 L8P2-S4 PolarHBondContact O-N 2.79Å; S4-N6 VanDerWaalsContact C-N 3.26Å; S4-N6 PolarHBondContact O-N 2.94Å; S4-L7 WeakPolarHBondContact O-CB 3.35Å; S4-L7 PolarHBondContact O-N 3.44Å; S4-L7 VanDerWaalsContact O-N 3.1Å; S4-L8 PolarHBondContact O-N 3.32Å
5S81.8Confident81.5Confident57 Ų57121.9 Ų121.940%0.39970%0.701SS.*Hα-helixtrans-56.9-34.8171.555.20000113.8L3 L7 L8 M9L3-S5 WeakPolarHBondContact CB-OG 3.5Å; L3-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact O-N 3.08Å; S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 3.1Å; S5-L8 PolarHBondContact O-N 3.2Å; S5-M9 PolarHBondContact O-N 2.83Å
6N78.8Confident81.8Confident99 Ų99120.1 Ų120.153%0.52970%0.699SS.*Hα-helixtrans-74.4-18.8179-64.4-12.2000112.6P2 L3 S4P2-N6 HydrophobicContact CB-CB 4.5Å; L3-N6 WeakPolarHBondContact O-CB 3.48Å; L3-N6 PolarHBondContact O-N 2.96Å; S4-N6 VanDerWaalsContact C-N 3.26Å; S4-N6 PolarHBondContact O-N 2.94Å
7L85.4Confident81.8Confident132 Ų132118.4 Ų118.469%0.69169%0.69SS**Hα-helixtrans-79.2-30.2171.1-63.3173.1000111.4S4 S5S4-L7 WeakPolarHBondContact O-CB 3.35Å; S4-L7 PolarHBondContact O-N 3.44Å; S4-L7 VanDerWaalsContact O-N 3.1Å; S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 3.1Å
8L89.5Confident81.6Confident143 Ų143120.7 Ų120.775%0.74969%0.693SS**Hα-helixtrans-80.2-41.9178.4-177.363.9000112.3S4 S5S4-L8 PolarHBondContact O-N 3.32Å; S5-L8 PolarHBondContact O-N 3.2Å
9M87.3Confident81.4Confident137 Ų137120.1 Ų120.168%0.67569%0.693SS**  trans-117119.6-172.2-60.5-67-74.800110.8S5S5-M9 PolarHBondContact O-N 2.83Å
10K86.5Confident81.1Confident178 Ų178125.9 Ų125.977%0.77470%0.704SS**  trans-104.8115.4173.4-65.8-178.7-178.5178.10109.4
11P84.3Confident80.9Confident122 Ų122125.7 Ų125.779%0.79271%0.711SS**  trans-67.8135.5-179.428.1-33.4000110.6
12V89.5Confident82.1Confident149 Ų149118.3 Ų118.390%0.90367%0.67SS**  trans-104.1-41.6172.7179.80000110.7
13A86.7Confident83.3Confident64 Ų64115.7 Ų115.753%0.52965%0.654SS.*SBendtrans-73.1144.3171.800000110.5V17A13-V17 HydrophobicContact CB-CB 4.22Å; A13-V17 HydrophobicContact CB-CG1 4.49Å; A13-V17 HydrophobicContact CB-CG2 4.34Å
14S86.1Confident84.4Confident67 Ų67111 Ų11147%0.46963%0.628SS.*  trans-63.3151.7172.559.80000110.5S16 V17S14-S16 PolarHBondContact O-N 3.22Å; S14-S16 PolarHBondContact OG-OG 3.08Å; S14-V17 WeakPolarHBondContact O-CB 3.36Å; S14-V17 PolarHBondContact O-N 3.43Å; S14-V17 WeakPolarHBondContact OG-CG2 3.44Å
15S81.7Confident85.3Confident132 Ų132106.3 Ų106.392%0.92360%0.595SS**THydrogen-bonded Turntrans-60.7-15.4176.850.10000113.8
16S85.8Confident86.1Confident94 Ų94103.6 Ų103.666%0.65758%0.576SS**THydrogen-bonded Turntrans-79.5-12173.857.10000114.4S14 E18S14-S16 PolarHBondContact O-N 3.22Å; S14-S16 PolarHBondContact OG-OG 3.08Å; S16-E18 PolarHBondContact O-N 3.36Å
17V82.3Confident87Confident90 Ų9098.9 Ų98.955%0.54555%0.551SS.*  trans-79.9101.1177.7177.50000109A13 S14A13-V17 HydrophobicContact CB-CB 4.22Å; A13-V17 HydrophobicContact CB-CG1 4.49Å; A13-V17 HydrophobicContact CB-CG2 4.34Å; S14-V17 WeakPolarHBondContact O-CB 3.36Å; S14-V17 PolarHBondContact O-N 3.43Å; S14-V17 WeakPolarHBondContact OG-CG2 3.44Å
18E78Confident87.7Confident161 Ų16192.8 Ų92.875%0.75252%0.519SS*.PPolyproline II helixtrans-70.5134.4172.2-72.6-72.2167.100110.3S16S16-E18 PolarHBondContact O-N 3.36Å
19P77.2Confident88.1Confident108 Ų10886.1 Ų86.170%0.70149%0.485SS*.PPolyproline II helixtrans-63.3153.9172.828.1-33.6000110.6S21P19-S21 PolarHBondContact O-N 3.39Å
20R75.8Confident88.6Confident237 Ų23779.7 Ų79.789%0.89445%0.453SS*.PPolyproline II helixtrans-53.9137.4173.4-72.6-174.8-179.4178.30.1110.3R22R20-R22 PolarHBondContact O-N 3.42Å
21S76.4Confident89.1Confident122 Ų12273.1 Ų73.185%0.85344%0.436SS*.PPolyproline II helixtrans-59.3137.4173.772.20000109.4P19P19-S21 PolarHBondContact O-N 3.39Å
22R85.4Confident89.8Confident78 Ų7871.8 Ų71.829%0.29442%0.42SS..PPolyproline II helixtrans-92.8148.3174.1-72.1176.5179.2-139.5-6.4108.2R20 K24 G46 E47 R74R20-R22 PolarHBondContact O-N 3.42Å; R22-K24 PolarHBondContact O-N 3.03Å; R22-G46 WeakPolarHBondContact CD-O 3.31Å; R22-G46 PolarHBondContact NH1-O 2.84Å; R22-E47 HydrophobicContact CB-CG 3.8Å; R22-R74 PolarHBondContact NH1-O 2.98Å; R22-R74 VanDerWaalsContact NH2-CD 3.29Å; R22-R74 VanDerWaalsContact NH2-CZ 3.33Å
23S95.9Very high90.2Very high35 Ų3566.3 Ų66.325%0.24539%0.387CS..PPolyproline II helixtrans-59.1136.7168.364.40000109T45 G46 E47 D90S23-T45 PolarHBondContact O-OG1 3.45Å; S23-T45 WeakPolarHBondContact OG-CA 3.29Å; S23-T45 PolarHBondContact OG-OG1 3.3Å; S23-G46 CarbonylContact O-C 3.56Å; S23-G46 PolarHBondContact O-N 3.4Å; S23-G46 VanDerWaalsContact O-N 3.08Å; S23-G46 PolarHBondContact OG-N 2.75Å; S23-E47 PolarHBondContact O-N 3.49Å; S23-D90 WeakPolarHBondContact CA-OD2 3.34Å
24K97.7Very high90.7Very high27 Ų2763.2 Ų63.212%0.11736%0.362CS..EExtended strand (participates in β ladder)trans-124.6124-177.6-179172.6178.9171.50110.9R22 E47 Y85 A87 S89 D90 I91R22-K24 PolarHBondContact O-N 3.03Å; K24-E47 WeakPolarHBondContact CA-O 3.28Å; K24-E47 HydrophobicContact CB-CB 4.04Å; K24-E47 HydrophobicContact CD-CB 4.38Å; K24-E47 HydrophobicContact CG-CB 3.93Å; K24-Y85 VanDerWaalsContact CE-O 3.27Å; K24-Y85 WeakPolarHBondContact CE-O 3.43Å; K24-Y85 PolarHBondContact NZ-O 3.39Å; K24-A87 WeakPolarHBondContact CE-O 3.22Å; K24-A87 PolarHBondContact NZ-O 2.96Å; K24-S89 WeakPolarHBondContact CE-OG 3.36Å; K24-D90 PolarHBondContact N-OD2 2.77Å; K24-D90 PolarHBondContact O-N 2.89Å; K24-I91 PolarHBondContact O-N 3.37Å
25V98.6Very high91.3Very high0 Ų061.2 Ų61.20%035%0.345CS..EExtended strand (participates in β ladder)trans-112.4132.2173.41790000108.6T45 E47 L48 A49 I91 V93 L264V25-T45 HydrophobicContact CB-CG2 4.4Å; V25-T45 HydrophobicContact CG2-CG2 4.36Å; V25-E47 PolarHBondContact N-O 3.36Å; V25-L48 CarbonylContact O-C 3.58Å; V25-L48 WeakPolarHBondContact O-CA 3.27Å; V25-A49 PolarHBondContact O-N 3.39Å; V25-I91 CarbonylContact C-O 3.6Å; V25-I91 WeakPolarHBondContact CA-O 3.41Å; V25-I91 HydrophobicContact CG2-CB 4.36Å; V25-V93 HydrophobicContact CG1-CG2 4.1Å; V25-L264 HydrophobicContact CG2-CD1 4.01Å
26T98.8Very high92.1Very high0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-106135.7168.2-63.70000110I28 A49 I51 S86 S89 I91 V92 V93T26-I28 HydrophobicContact CG2-CD1 3.58Å; T26-I28 HydrophobicContact CG2-CG1 4.43Å; T26-A49 CarbonylContact C-O 3.59Å; T26-A49 VanDerWaalsContact CA-O 3.25Å; T26-A49 WeakPolarHBondContact CA-O 3.29Å; T26-A49 HydrophobicContact CG2-CB 4.34Å; T26-I51 HydrophobicContact CG2-CD1 3.89Å; T26-I51 HydrophobicContact CG2-CG1 4.32Å; T26-S86 WeakPolarHBondContact OG1-CA 3.34Å; T26-S86 WeakPolarHBondContact OG1-CB 3.3Å; T26-S89 PolarHBondContact OG1-OG 3.18Å; T26-I91 PolarHBondContact N-O 3.48Å; T26-V92 HydrophobicContact CG2-CG1 4.21Å; T26-V92 CarbonylContact O-C 3.55Å; T26-V92 WeakPolarHBondContact O-CA 3.38Å; T26-V93 PolarHBondContact O-N 2.88Å
27V98.9Very high92.8Very high1 Ų150.5 Ų50.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-111.4122169.5-176.70000108.9A38 L48 A49 L50 I51 V93 T95V27-A38 HydrophobicContact CG2-CB 4.25Å; V27-L48 HydrophobicContact CG2-CD1 4Å; V27-A49 PolarHBondContact N-O 2.89Å; V27-L50 HydrophobicContact CB-CD2 3.95Å; V27-L50 HydrophobicContact CG2-CD2 4.43Å; V27-I51 PolarHBondContact O-N 3.42Å; V27-V93 WeakPolarHBondContact CA-O 3.25Å; V27-V93 HydrophobicContact CG2-CB 4.39Å; V27-T95 HydrophobicContact CG1-CG2 4.18Å
28I98.8Very high93.5Very high3 Ų346.2 Ų46.22%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-96.1121.9174-46.4-61.7000108.9T26 I51 Y83 V92 V93 I94 T95 A96 I120 I124T26-I28 HydrophobicContact CG2-CD1 3.58Å; T26-I28 HydrophobicContact CG2-CG1 4.43Å; I28-I51 HydrophobicContact CD1-CB 3.74Å; I28-I51 HydrophobicContact CD1-CD1 3.7Å; I28-I51 HydrophobicContact CD1-CG1 4.18Å; I28-I51 HydrophobicContact CD1-CG2 4.23Å; I28-Y83 HydrophobicContact CD1-CD1 4.49Å; I28-Y83 HydrophobicContact CD1-CE1 3.96Å; I28-V92 HydrophobicContact CD1-CG1 4.15Å; I28-V92 HydrophobicContact CG1-CG1 3.78Å; I28-V93 PolarHBondContact N-O 3.07Å; I28-I94 HydrophobicContact CG1-CG1 4.36Å; I28-T95 WeakPolarHBondContact O-CA 3.36Å; I28-T95 PolarHBondContact O-N 3.42Å; I28-T95 PolarHBondContact O-OG1 2.94Å; I28-A96 HydrophobicContact CG2-CB 4.07Å; I28-A96 PolarHBondContact O-N 3.35Å; I28-I120 HydrophobicContact CG1-CG2 4.37Å; I28-I120 HydrophobicContact CG2-CD1 4.04Å; I28-I120 HydrophobicContact CG2-CG1 4.44Å; I28-I120 HydrophobicContact CG2-CG2 4.03Å; I28-I124 HydrophobicContact CG1-CD1 4.2Å
29G98.4Very high94.4Very high3 Ų343.7 Ų43.73%0.03123%0.231CC..  trans93.2123.6-171.600000111.4G34 I51 D52 T95G29-G34 VanDerWaalsContact O-CA 3.3Å; G29-G34 WeakPolarHBondContact O-CA 3.38Å; G29-I51 PolarHBondContact N-O 3.04Å; G29-D52 WeakPolarHBondContact CA-OD2 3.46Å; G29-T95 PolarHBondContact O-OG1 3.04Å
30V98.4Very high95.4Very high3 Ų339.1 Ų39.12%0.01820%0.202CC..  trans-108.530.4175.9-58.70000112.3M35 L50 D52 K57 V58 E61V30-M35 HydrophobicContact CB-CG 4.34Å; V30-M35 HydrophobicContact CB-SD 3.84Å; V30-M35 HydrophobicContact CG1-SD 4.14Å; V30-M35 WeakPolarHBondContact O-CG 3.16Å; V30-L50 HydrophobicContact CG1-CB 3.97Å; V30-L50 HydrophobicContact CG1-CD1 4.24Å; V30-D52 HydrophobicContact CB-CB 4.41Å; V30-D52 HydrophobicContact CG1-CB 4.21Å; V30-D52 HydrophobicContact CG2-CB 3.65Å; V30-D52 PolarHBondContact N-OD2 3.31Å; V30-K57 HydrophobicContact CG2-CB 4.47Å; V30-K57 HydrophobicContact CG2-CG 3.75Å; V30-V58 HydrophobicContact CG1-CB 4.4Å; V30-V58 HydrophobicContact CG1-CG2 4.13Å; V30-V58 HydrophobicContact CG2-CB 4.28Å; V30-E61 HydrophobicContact CB-CG 4.27Å; V30-E61 HydrophobicContact CG2-CG 4.37Å
31G97.3Very high96.4Very high40 Ų4027.9 Ų27.941%0.41216%0.159SC..SBendtrans-71-173.9167.200000112.2V33 G34 M35G31-V33 VanDerWaalsContact C-N 3.31Å; G31-V33 PolarHBondContact O-N 3.14Å; G31-G34 PolarHBondContact O-N 3.16Å; G31-G34 VanDerWaalsContact O-N 3.12Å; G31-M35 PolarHBondContact O-N 3.12Å
32M97.5Very high97.2Very high93 Ų9322.4 Ų22.446%0.45812%0.12SC..Hα-helixtrans-57.4-39.3-176.5-61.3-63.1165.700113.8A36 Y247 S249M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 3.01Å; M32-Y247 HydrophobicContact CB-CD2 3.48Å; M32-Y247 VanDerWaalsContact CB-CD2 3.48Å; M32-Y247 HydrophobicContact CB-CE2 3.78Å; M32-Y247 HydrophobicContact CB-CG 4.1Å; M32-Y247 HydrophobicContact CG-CD1 4.16Å; M32-Y247 HydrophobicContact CG-CD2 3.55Å; M32-Y247 HydrophobicContact CG-CE1 4.27Å; M32-Y247 HydrophobicContact CG-CE2 3.67Å; M32-Y247 HydrophobicContact CG-CG 3.81Å; M32-Y247 HydrophobicContact SD-CD2 4.32Å; M32-Y247 HydrophobicContact SD-CE1 4.32Å; M32-Y247 HydrophobicContact SD-CE2 3.8Å; M32-S249 WeakPolarHBondContact O-CB 3.44Å
33V98.1Very high97.5Very high34 Ų3423.7 Ų23.721%0.20613%0.13CC..Hα-helixtrans-69.9-47.2175.8175.50000110.8G31 M35 A36 A37 T95 V136 T248 I252G31-V33 VanDerWaalsContact C-N 3.31Å; G31-V33 PolarHBondContact O-N 3.14Å; V33-M35 PolarHBondContact O-N 3.29Å; V33-A36 PolarHBondContact O-N 3.48Å; V33-A37 WeakPolarHBondContact O-CB 3.38Å; V33-A37 PolarHBondContact O-N 3.02Å; V33-T95 HydrophobicContact CG1-CG2 3.98Å; V33-V136 HydrophobicContact CG1-CG1 3.81Å; V33-T248 WeakPolarHBondContact CG2-O 3.39Å; V33-I252 HydrophobicContact CB-CG2 4.4Å; V33-I252 HydrophobicContact CG1-CG1 4.18Å; V33-I252 HydrophobicContact CG1-CG2 3.85Å; V33-I252 HydrophobicContact CG2-CG2 4.03Å
34G98.5Very high97.5Very high0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-56.6-48.7178.100000112.8G29 G31 A37 A38 T95G29-G34 VanDerWaalsContact O-CA 3.3Å; G29-G34 WeakPolarHBondContact O-CA 3.38Å; G31-G34 PolarHBondContact O-N 3.16Å; G31-G34 VanDerWaalsContact O-N 3.12Å; G34-A37 PolarHBondContact O-N 3.46Å; G34-A38 VanDerWaalsContact O-CB 3.3Å; G34-A38 WeakPolarHBondContact O-CB 3.32Å; G34-A38 PolarHBondContact O-N 3.24Å; G34-T95 VanDerWaalsContact CA-OG1 3.31Å; G34-T95 WeakPolarHBondContact CA-OG1 3.36Å
35M98.6Very high97.3Very high25 Ų2522.8 Ų22.812%0.12312%0.124CC..Hα-helixtrans-68.5-36178.6-68-49.7-56.300112.9V30 G31 V33 A37 A38 F39 L50 E61 L65V30-M35 HydrophobicContact CB-CG 4.34Å; V30-M35 HydrophobicContact CB-SD 3.84Å; V30-M35 HydrophobicContact CG1-SD 4.14Å; V30-M35 WeakPolarHBondContact O-CG 3.16Å; G31-M35 PolarHBondContact O-N 3.12Å; V33-M35 PolarHBondContact O-N 3.29Å; M35-A37 VanDerWaalsContact C-N 3.35Å; M35-A38 PolarHBondContact O-N 2.88Å; M35-F39 WeakPolarHBondContact O-CB 3.17Å; M35-F39 PolarHBondContact O-N 2.62Å; M35-L50 HydrophobicContact CE-CD1 4.4Å; M35-L50 HydrophobicContact SD-CD1 4.16Å; M35-E61 HydrophobicContact CE-CB 3.85Å; M35-E61 HydrophobicContact CE-CG 4.11Å; M35-E61 WeakPolarHBondContact CE-OE2 3.48Å; M35-E61 HydrophobicContact CG-CG 4.22Å; M35-E61 HydrophobicContact SD-CB 3.74Å; M35-E61 HydrophobicContact SD-CG 3.68Å; M35-L65 HydrophobicContact CE-CD1 3.85Å; M35-L65 HydrophobicContact CE-CD2 4.35Å; M35-L65 HydrophobicContact CE-CG 4.11Å
36A98.6Very high97.2Very high1 Ų123.4 Ų23.41%0.00813%0.129CC..Hα-helixtrans-65.5-38.4172.600000112.2M32 V33 S40 S249 W250M32-A36 WeakPolarHBondContact O-CB 3.27Å; M32-A36 PolarHBondContact O-N 3.01Å; V33-A36 PolarHBondContact O-N 3.48Å; A36-S40 VanDerWaalsContact O-CB 3.29Å; A36-S40 WeakPolarHBondContact O-CB 3.37Å; A36-S40 PolarHBondContact O-N 3.22Å; A36-S40 VanDerWaalsContact O-N 3.1Å; A36-S40 PolarHBondContact O-OG 2.89Å; A36-S249 VanDerWaalsContact CB-O 3.24Å; A36-S249 WeakPolarHBondContact CB-O 3.44Å; A36-W250 HydrophobicContact CB-CE3 3.97Å; A36-W250 HydrophobicContact CB-CZ3 4.26Å
37A98.7Very high97.1Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-67-46.3174.300000111.4V33 G34 M35 S40 T41 C256V33-A37 WeakPolarHBondContact O-CB 3.38Å; V33-A37 PolarHBondContact O-N 3.02Å; G34-A37 PolarHBondContact O-N 3.46Å; M35-A37 VanDerWaalsContact C-N 3.35Å; A37-S40 PolarHBondContact O-N 2.81Å; A37-T41 WeakPolarHBondContact O-CB 3.18Å; A37-T41 VanDerWaalsContact O-CG2 3.26Å; A37-T41 WeakPolarHBondContact O-CG2 3.44Å; A37-T41 PolarHBondContact O-N 3.17Å; A37-T41 PolarHBondContact O-OG1 3.35Å; A37-C256 HydrophobicContact CB-CB 3.89Å
38A98.4Very high97Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-58.4-51.9176.200000111.7V27 G34 M35 S40 T41 M42 L48 L50V27-A38 HydrophobicContact CG2-CB 4.25Å; G34-A38 VanDerWaalsContact O-CB 3.3Å; G34-A38 WeakPolarHBondContact O-CB 3.32Å; G34-A38 PolarHBondContact O-N 3.24Å; M35-A38 PolarHBondContact O-N 2.88Å; A38-S40 VanDerWaalsContact C-N 3.27Å; A38-S40 PolarHBondContact O-N 2.62Å; A38-T41 PolarHBondContact O-N 2.94Å; A38-T41 PolarHBondContact O-OG1 3.37Å; A38-M42 WeakPolarHBondContact O-CB 3.29Å; A38-M42 WeakPolarHBondContact O-CG 3.48Å; A38-M42 PolarHBondContact O-N 3.14Å; A38-L48 HydrophobicContact CB-CD1 4.45Å; A38-L48 HydrophobicContact CB-CD2 4.01Å; A38-L50 HydrophobicContact CB-CD2 3.72Å
39F97.4Very high97Very high108 Ų10825.6 Ų25.647%0.47414%0.14SC..Hα-helixtrans-63.7-31.7-179.8-169.7-97.7000113.2M35 M42 L65M35-F39 WeakPolarHBondContact O-CB 3.17Å; M35-F39 PolarHBondContact O-N 2.62Å; F39-M42 HydrophobicContact CB-SD 4.47Å; F39-M42 HydrophobicContact CD2-SD 3.76Å; F39-M42 HydrophobicContact CE2-SD 4.3Å; F39-M42 HydrophobicContact CG-SD 4.29Å; F39-M42 WeakPolarHBondContact O-CG 3.27Å; F39-L65 HydrophobicContact CD2-CD2 3.91Å
40S97.1Very high97Very high12 Ų1225.5 Ų25.58%0.08414%0.139CC..Hα-helixtrans-79.9-37.6176.7-54.90000112.1A36 A37 A38 G253 R257A36-S40 VanDerWaalsContact O-CB 3.29Å; A36-S40 WeakPolarHBondContact O-CB 3.37Å; A36-S40 PolarHBondContact O-N 3.22Å; A36-S40 VanDerWaalsContact O-N 3.1Å; A36-S40 PolarHBondContact O-OG 2.89Å; A37-S40 PolarHBondContact O-N 2.81Å; A38-S40 VanDerWaalsContact C-N 3.27Å; A38-S40 PolarHBondContact O-N 2.62Å; S40-G253 WeakPolarHBondContact CB-O 3.2Å; S40-R257 VanDerWaalsContact O-CD 3.29Å; S40-R257 WeakPolarHBondContact O-CD 3.44Å; S40-R257 WeakPolarHBondContact O-CG 3.4Å
41T96.2Very high97Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-81.1-27.4-176.7530000113.5A37 A38 Q43 I44 T45 R257 C260A37-T41 WeakPolarHBondContact O-CB 3.18Å; A37-T41 VanDerWaalsContact O-CG2 3.26Å; A37-T41 WeakPolarHBondContact O-CG2 3.44Å; A37-T41 PolarHBondContact O-N 3.17Å; A37-T41 PolarHBondContact O-OG1 3.35Å; A38-T41 PolarHBondContact O-N 2.94Å; A38-T41 PolarHBondContact O-OG1 3.37Å; T41-Q43 PolarHBondContact O-N 3.09Å; T41-I44 WeakPolarHBondContact O-CG1 3.43Å; T41-I44 PolarHBondContact O-N 3.44Å; T41-T45 WeakPolarHBondContact O-CG2 3.21Å; T41-T45 PolarHBondContact O-N 2.95Å; T41-R257 HydrophobicContact CG2-CB 4.43Å; T41-C260 HydrophobicContact CG2-CB 4.13Å
42M94.3Very high97.1Very high7 Ų724.9 Ų24.93%0.03413%0.126CC..THydrogen-bonded Turntrans-56-22.2174.560.7-176.5-9400113.7A38 F39 I44 L48 L65 F72A38-M42 WeakPolarHBondContact O-CB 3.29Å; A38-M42 WeakPolarHBondContact O-CG 3.48Å; A38-M42 PolarHBondContact O-N 3.14Å; F39-M42 HydrophobicContact CB-SD 4.47Å; F39-M42 HydrophobicContact CD2-SD 3.76Å; F39-M42 HydrophobicContact CE2-SD 4.3Å; F39-M42 HydrophobicContact CG-SD 4.29Å; F39-M42 WeakPolarHBondContact O-CG 3.27Å; M42-I44 VanDerWaalsContact C-N 3.32Å; M42-L48 HydrophobicContact CB-CD2 4.1Å; M42-L65 HydrophobicContact SD-CD2 3.92Å; M42-F72 HydrophobicContact CE-CD1 3.36Å; M42-F72 HydrophobicContact CE-CD2 3.54Å; M42-F72 HydrophobicContact CE-CE1 3.12Å; M42-F72 HydrophobicContact CE-CE2 3.4Å; M42-F72 VanDerWaalsContact CE-CE2 3.4Å; M42-F72 HydrophobicContact CE-CG 3.57Å; M42-F72 HydrophobicContact CE-CZ 3.17Å
43Q91.8Very high97.1Very high106 Ų10626.6 Ų26.650%0.49514%0.142SC..THydrogen-bonded Turntrans-76.7-16.5177.5-59.8-175.611.800113.8T41T41-Q43 PolarHBondContact O-N 3.09Å
44I94.3Very high97Very high34 Ų3428.9 Ų28.917%0.17416%0.155CC..THydrogen-bonded Turntrans-122.6-1.5-174.360.7165.4000113.1T41 M42 R257 C260 N261T41-I44 WeakPolarHBondContact O-CG1 3.43Å; T41-I44 PolarHBondContact O-N 3.44Å; M42-I44 VanDerWaalsContact C-N 3.32Å; I44-R257 HydrophobicContact CD1-CG 3.97Å; I44-R257 VanDerWaalsContact CD1-O 3.29Å; I44-R257 WeakPolarHBondContact CD1-O 3.47Å; I44-R257 HydrophobicContact CG1-CG 4.46Å; I44-R257 HydrophobicContact CG2-CG 4.47Å; I44-C260 HydrophobicContact CD1-CB 3.99Å; I44-N261 HydrophobicContact CD1-CB 3.71Å
45T95.1Very high97Very high9 Ų931.3 Ų31.36%0.05518%0.176CC..  trans-119.5151.3-179.1-166.40000111.6S23 V25 T41 E47 L48 C75S23-T45 PolarHBondContact O-OG1 3.45Å; S23-T45 WeakPolarHBondContact OG-CA 3.29Å; S23-T45 PolarHBondContact OG-OG1 3.3Å; V25-T45 HydrophobicContact CB-CG2 4.4Å; V25-T45 HydrophobicContact CG2-CG2 4.36Å; T41-T45 WeakPolarHBondContact O-CG2 3.21Å; T41-T45 PolarHBondContact O-N 2.95Å; T45-E47 VanDerWaalsContact CG2-O 3.23Å; T45-E47 WeakPolarHBondContact CG2-O 3.36Å; T45-E47 PolarHBondContact OG1-O 2.76Å; T45-L48 HydrophobicContact CG2-CB 4.34Å; T45-C75 WeakPolarHBondContact O-CB 3.3Å
46G95.1Very high97Very high12 Ų1236.8 Ų36.812%0.12421%0.205CC..SBendtrans-88.9-21176.800000114R22 S23 C75 K76R22-G46 WeakPolarHBondContact CD-O 3.31Å; R22-G46 PolarHBondContact NH1-O 2.84Å; S23-G46 CarbonylContact O-C 3.56Å; S23-G46 PolarHBondContact O-N 3.4Å; S23-G46 VanDerWaalsContact O-N 3.08Å; S23-G46 PolarHBondContact OG-N 2.75Å; G46-C75 CarbonylContact O-C 3.58Å; G46-C75 WeakPolarHBondContact O-CA 3.38Å; G46-K76 PolarHBondContact O-N 2.93Å
47E96.6Very high97Very high47 Ų4741.3 Ų41.322%0.2223%0.225CC..EExtended strand (participates in β ladder)trans-136.1140170.2-51-166.8-170.300111.3R22 S23 K24 V25 T45 K76R22-E47 HydrophobicContact CB-CG 3.8Å; S23-E47 PolarHBondContact O-N 3.49Å; K24-E47 WeakPolarHBondContact CA-O 3.28Å; K24-E47 HydrophobicContact CB-CB 4.04Å; K24-E47 HydrophobicContact CD-CB 4.38Å; K24-E47 HydrophobicContact CG-CB 3.93Å; V25-E47 PolarHBondContact N-O 3.36Å; T45-E47 VanDerWaalsContact CG2-O 3.23Å; T45-E47 WeakPolarHBondContact CG2-O 3.36Å; T45-E47 PolarHBondContact OG1-O 2.76Å; E47-K76 CarbonylContact C-O 3.59Å; E47-K76 VanDerWaalsContact CA-O 3.28Å; E47-K76 WeakPolarHBondContact CA-O 3.25Å; E47-K76 HydrophobicContact CB-CB 4.47Å; E47-K76 HydrophobicContact CG-CB 4.07Å; E47-K76 HydrophobicContact CG-CD 4.5Å
48L97.9Very high97Very high2 Ų241.4 Ų41.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-126.6124.1174.8175.667.8000108.7V25 V27 A38 M42 T45 L50 L65 K76 I77 D78V25-L48 CarbonylContact O-C 3.58Å; V25-L48 WeakPolarHBondContact O-CA 3.27Å; V27-L48 HydrophobicContact CG2-CD1 4Å; A38-L48 HydrophobicContact CB-CD1 4.45Å; A38-L48 HydrophobicContact CB-CD2 4.01Å; M42-L48 HydrophobicContact CB-CD2 4.1Å; T45-L48 HydrophobicContact CG2-CB 4.34Å; L48-L50 HydrophobicContact CD1-CD2 4.13Å; L48-L50 HydrophobicContact CD2-CD2 4.18Å; L48-L50 HydrophobicContact CG-CD2 4.07Å; L48-L65 HydrophobicContact CD2-CD1 4.07Å; L48-K76 PolarHBondContact N-O 3.1Å; L48-I77 HydrophobicContact CB-CG1 4.41Å; L48-I77 HydrophobicContact CD2-CG2 4.36Å; L48-I77 WeakPolarHBondContact O-CA 3.38Å; L48-D78 PolarHBondContact O-N 2.64Å; L48-D78 VanDerWaalsContact O-N 3.08Å
49A98.5Very high97Very high2 Ų247.9 Ų47.92%0.01725%0.253CS..EExtended strand (participates in β ladder)trans-111.8128.9172.400000110.6V25 T26 V27 D78 Y85V25-A49 PolarHBondContact O-N 3.39Å; T26-A49 CarbonylContact C-O 3.59Å; T26-A49 VanDerWaalsContact CA-O 3.25Å; T26-A49 WeakPolarHBondContact CA-O 3.29Å; T26-A49 HydrophobicContact CG2-CB 4.34Å; V27-A49 PolarHBondContact N-O 2.89Å; A49-D78 CarbonylContact C-O 3.58Å; A49-D78 VanDerWaalsContact CA-O 3.27Å; A49-D78 WeakPolarHBondContact CA-O 3.31Å; A49-Y85 VanDerWaalsContact CB-O 3.3Å; A49-Y85 WeakPolarHBondContact CB-O 3.39Å
50L98.8Very high97.1Very high0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-105.6130.5175.4-58-174000110.5V27 V30 M35 A38 L48 V58 E61 V62 L65 D78 G79 G80V27-L50 HydrophobicContact CB-CD2 3.95Å; V27-L50 HydrophobicContact CG2-CD2 4.43Å; V30-L50 HydrophobicContact CG1-CB 3.97Å; V30-L50 HydrophobicContact CG1-CD1 4.24Å; M35-L50 HydrophobicContact CE-CD1 4.4Å; M35-L50 HydrophobicContact SD-CD1 4.16Å; A38-L50 HydrophobicContact CB-CD2 3.72Å; L48-L50 HydrophobicContact CD1-CD2 4.13Å; L48-L50 HydrophobicContact CD2-CD2 4.18Å; L48-L50 HydrophobicContact CG-CD2 4.07Å; L50-V58 HydrophobicContact CB-CG2 3.97Å; L50-E61 HydrophobicContact CD1-CB 4.31Å; L50-V62 HydrophobicContact CB-CG2 4.15Å; L50-V62 HydrophobicContact CD1-CG2 4.02Å; L50-V62 HydrophobicContact CG-CG2 4.36Å; L50-L65 HydrophobicContact CD1-CD1 3.88Å; L50-D78 PolarHBondContact N-O 3.03Å; L50-G79 CarbonylContact O-C 3.59Å; L50-G79 WeakPolarHBondContact O-CA 3.4Å; L50-G80 PolarHBondContact O-N 2.77Å
51I98.8Very high97.1Very high2 Ų245.4 Ų45.41%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-126.7128.7175.8-62.8171.8000109.6T26 V27 I28 G29 G80 Y83T26-I51 HydrophobicContact CG2-CD1 3.89Å; T26-I51 HydrophobicContact CG2-CG1 4.32Å; V27-I51 PolarHBondContact O-N 3.42Å; I28-I51 HydrophobicContact CD1-CB 3.74Å; I28-I51 HydrophobicContact CD1-CD1 3.7Å; I28-I51 HydrophobicContact CD1-CG1 4.18Å; I28-I51 HydrophobicContact CD1-CG2 4.23Å; G29-I51 PolarHBondContact N-O 3.04Å; I51-G80 WeakPolarHBondContact CA-O 3.35Å; I51-Y83 HydrophobicContact CD1-CD1 3.86Å; I51-Y83 HydrophobicContact CD1-CE1 4.37Å; I51-Y83 HydrophobicContact CD1-CG 4.17Å; I51-Y83 HydrophobicContact CG2-CD1 4.49Å; I51-Y83 HydrophobicContact CG2-CD2 4.37Å; I51-Y83 HydrophobicContact CG2-CE1 4.25Å; I51-Y83 HydrophobicContact CG2-CE2 4.11Å
52D98.5Very high97.2Very high29 Ų2945.9 Ų45.916%0.15526%0.255CS..  trans-149.3160.2170.5-158.5-72000109.8G29 V30 V54 V58 G80 T81G29-D52 WeakPolarHBondContact CA-OD2 3.46Å; V30-D52 HydrophobicContact CB-CB 4.41Å; V30-D52 HydrophobicContact CG1-CB 4.21Å; V30-D52 HydrophobicContact CG2-CB 3.65Å; V30-D52 PolarHBondContact N-OD2 3.31Å; D52-V54 VanDerWaalsContact C-N 3.35Å; D52-V54 PolarHBondContact OD1-N 3.3Å; D52-V58 HydrophobicContact CB-CB 4.02Å; D52-G80 PolarHBondContact N-O 3.09Å; D52-T81 WeakPolarHBondContact O-CA 3.46Å; D52-T81 WeakPolarHBondContact O-CG2 3.45Å
53V97.4Very high97.4Very high129 Ų12949 Ų4978%0.78227%0.271SS*.SBendtrans-78.4-22.3176.2-62.50000112.3A55V53-A55 PolarHBondContact O-N 3.2Å
54V97.5Very high97.7Very high81 Ų8149.3 Ų49.349%0.49128%0.276SS..  trans-86.189.8-179.9-172.20000109.9D52 D56 K57 V58D52-V54 VanDerWaalsContact C-N 3.35Å; D52-V54 PolarHBondContact OD1-N 3.3Å; V54-D56 PolarHBondContact O-N 3.01Å; V54-K57 HydrophobicContact CB-CB 3.93Å; V54-K57 HydrophobicContact CG1-CB 3.6Å; V54-K57 WeakPolarHBondContact O-CB 3.33Å; V54-K57 PolarHBondContact O-N 3.41Å; V54-V58 PolarHBondContact O-N 3.21Å
55A98.1Very high97.8Very high52 Ų5248.3 Ų48.343%0.4327%0.271SS..Hα-helixtrans-49.5-50.6-171.800000114.5V53 K57 V58 K59 T81V53-A55 PolarHBondContact O-N 3.2Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.35Å; A55-V58 VanDerWaalsContact O-CG1 3.26Å; A55-V58 WeakPolarHBondContact O-CG1 3.27Å; A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.23Å; A55-K59 PolarHBondContact O-N 3.12Å; A55-T81 HydrophobicContact CB-CG2 3.77Å
56D98.4Very high97.9Very high139 Ų13950.8 Ų50.874%0.74328%0.282SS*.Hα-helixtrans-66.2-36.7-178.7-69.9-20.3000112.1V54 G60V54-D56 PolarHBondContact O-N 3.01Å; D56-G60 PolarHBondContact O-N 3.18Å
57K98.4Very high97.9Very high97 Ų9757 Ų5742%0.42231%0.308SS..Hα-helixtrans-67.2-51.6179.4-177.257.7169.3168.80110.8V30 V54 A55 K59 G60 E61V30-K57 HydrophobicContact CG2-CB 4.47Å; V30-K57 HydrophobicContact CG2-CG 3.75Å; V54-K57 HydrophobicContact CB-CB 3.93Å; V54-K57 HydrophobicContact CG1-CB 3.6Å; V54-K57 WeakPolarHBondContact O-CB 3.33Å; V54-K57 PolarHBondContact O-N 3.41Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.35Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 2.97Å; K57-G60 PolarHBondContact O-N 2.84Å; K57-E61 HydrophobicContact CD-CG 4.22Å; K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 IonicContact NZ-OE1 2.93Å; K57-E61 PolarHBondContact NZ-OE1 2.91Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.18Å; K57-E61 PolarHBondContact O-N 3.08Å
58V98.6Very high97.7Very high1 Ų155.8 Ų55.81%0.00631%0.308CS..Hα-helixtrans-62.2-38.6178.361.30000111.7V30 L50 D52 V54 A55 E61 V62V30-V58 HydrophobicContact CG1-CB 4.4Å; V30-V58 HydrophobicContact CG1-CG2 4.13Å; V30-V58 HydrophobicContact CG2-CB 4.28Å; L50-V58 HydrophobicContact CB-CG2 3.97Å; D52-V58 HydrophobicContact CB-CB 4.02Å; V54-V58 PolarHBondContact O-N 3.21Å; A55-V58 VanDerWaalsContact O-CG1 3.26Å; A55-V58 WeakPolarHBondContact O-CG1 3.27Å; V58-E61 PolarHBondContact O-N 2.82Å; V58-V62 HydrophobicContact CG2-CG2 4.36Å; V58-V62 WeakPolarHBondContact O-CB 3.28Å; V58-V62 VanDerWaalsContact O-CG2 3.25Å; V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 2.9Å
59K98.4Very high97.3Very high137 Ų13759.6 Ų59.660%0.59633%0.325SS*.Hα-helixtrans-62.3-44.7174.9-175.5179.1179-176.90111.9A55 K57 V62 L63A55-K59 VanDerWaalsContact O-CB 3.29Å; A55-K59 WeakPolarHBondContact O-CB 3.23Å; A55-K59 PolarHBondContact O-N 3.12Å; K57-K59 VanDerWaalsContact C-N 3.3Å; K57-K59 PolarHBondContact O-N 2.97Å; K59-V62 PolarHBondContact O-N 3.08Å; K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 2.99Å
60G98.6Very high97Very high37 Ų3767.7 Ų67.738%0.38136%0.363SS..Hα-helixtrans-60.7-46.9176.700000112.5D56 K57 L63 D64D56-G60 PolarHBondContact O-N 3.18Å; K57-G60 PolarHBondContact O-N 2.84Å; G60-L63 PolarHBondContact O-N 2.81Å; G60-D64 PolarHBondContact O-N 2.82Å
61E98.5Very high96.7Very high31 Ų3175.6 Ų75.615%0.14540%0.397CS..Hα-helixtrans-64.7-40.1178.8-66-65.2173.300112.6V30 M35 L50 K57 V58 D64 L65V30-E61 HydrophobicContact CB-CG 4.27Å; V30-E61 HydrophobicContact CG2-CG 4.37Å; M35-E61 HydrophobicContact CE-CB 3.85Å; M35-E61 HydrophobicContact CE-CG 4.11Å; M35-E61 WeakPolarHBondContact CE-OE2 3.48Å; M35-E61 HydrophobicContact CG-CG 4.22Å; M35-E61 HydrophobicContact SD-CB 3.74Å; M35-E61 HydrophobicContact SD-CG 3.68Å; L50-E61 HydrophobicContact CD1-CB 4.31Å; K57-E61 HydrophobicContact CD-CG 4.22Å; K57-E61 WeakPolarHBondContact CE-OE1 3.39Å; K57-E61 IonicContact NZ-OE1 2.93Å; K57-E61 PolarHBondContact NZ-OE1 2.91Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.18Å; K57-E61 PolarHBondContact O-N 3.08Å; V58-E61 PolarHBondContact O-N 2.82Å; E61-D64 PolarHBondContact O-N 2.86Å; E61-L65 WeakPolarHBondContact O-CG 3.21Å; E61-L65 PolarHBondContact O-N 2.87Å; E61-L65 VanDerWaalsContact O-N 3.08Å
62V98.3Very high96Very high9 Ų978 Ų786%0.05541%0.408CS..Hα-helixtrans-61.2-46.7174.4168.50000110.7L50 V58 K59 L65 Q66 I77L50-V62 HydrophobicContact CB-CG2 4.15Å; L50-V62 HydrophobicContact CD1-CG2 4.02Å; L50-V62 HydrophobicContact CG-CG2 4.36Å; V58-V62 HydrophobicContact CG2-CG2 4.36Å; V58-V62 WeakPolarHBondContact O-CB 3.28Å; V58-V62 VanDerWaalsContact O-CG2 3.25Å; V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 2.9Å; K59-V62 PolarHBondContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 2.77Å; V62-Q66 HydrophobicContact CG1-CG 4.33Å; V62-Q66 WeakPolarHBondContact O-CB 3.37Å; V62-Q66 WeakPolarHBondContact O-CG 3.24Å; V62-Q66 PolarHBondContact O-N 3.42Å; V62-I77 HydrophobicContact CG1-CG2 4.48Å
63L98Very high95Very high74 Ų7479.3 Ų79.339%0.38743%0.428SS..Hα-helixtrans-63-42.8179.2-72.8171000112.1K59 G60 Q66 H67K59-L63 HydrophobicContact CG-CD1 4.26Å; K59-L63 WeakPolarHBondContact O-CG 3.39Å; K59-L63 PolarHBondContact O-N 2.99Å; G60-L63 PolarHBondContact O-N 2.81Å; L63-Q66 PolarHBondContact O-N 3.03Å; L63-H67 PolarHBondContact O-CD2 2.82Å; L63-H67 VanDerWaalsContact O-CG 3.28Å; L63-H67 PolarHBondContact O-N 3.2Å
64D97.7Very high94.4Very high111 Ų11183.2 Ų83.259%0.59443%0.429SS*.Hα-helixtrans-62.6-46.5179.9-162.413.1000111.3G60 E61 Q66 H67 G68G60-D64 PolarHBondContact O-N 2.82Å; E61-D64 PolarHBondContact O-N 2.86Å; D64-Q66 VanDerWaalsContact C-N 3.34Å; D64-Q66 PolarHBondContact O-N 3.45Å; D64-H67 PolarHBondContact O-N 3.23Å; D64-G68 PolarHBondContact O-N 2.83Å
65L96.9Very high94.2Very high13 Ų1379.4 Ų79.47%0.06841%0.406CS..Hα-helixtrans-64.5-36.4174.8-67-179.3000113M35 F39 M42 L48 L50 E61 V62 G68 I77M35-L65 HydrophobicContact CE-CD1 3.85Å; M35-L65 HydrophobicContact CE-CD2 4.35Å; M35-L65 HydrophobicContact CE-CG 4.11Å; F39-L65 HydrophobicContact CD2-CD2 3.91Å; M42-L65 HydrophobicContact SD-CD2 3.92Å; L48-L65 HydrophobicContact CD2-CD1 4.07Å; L50-L65 HydrophobicContact CD1-CD1 3.88Å; E61-L65 WeakPolarHBondContact O-CG 3.21Å; E61-L65 PolarHBondContact O-N 2.87Å; E61-L65 VanDerWaalsContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 2.77Å; L65-G68 PolarHBondContact O-N 2.98Å; L65-I77 HydrophobicContact CB-CD1 3.67Å; L65-I77 HydrophobicContact CB-CG2 4.18Å; L65-I77 HydrophobicContact CD1-CD1 4.5Å; L65-I77 HydrophobicContact CD1-CG2 4.26Å
66Q96.3Very high94.1Very high62 Ų6282.3 Ų82.329%0.2941%0.409SS..Hα-helixtrans-65.1-42.5175.6-78.1174.3-1000111.8V62 L63 D64 G68 Q69 I77V62-Q66 HydrophobicContact CG1-CG 4.33Å; V62-Q66 WeakPolarHBondContact O-CB 3.37Å; V62-Q66 WeakPolarHBondContact O-CG 3.24Å; V62-Q66 PolarHBondContact O-N 3.42Å; L63-Q66 PolarHBondContact O-N 3.03Å; D64-Q66 VanDerWaalsContact C-N 3.34Å; D64-Q66 PolarHBondContact O-N 3.45Å; Q66-G68 PolarHBondContact O-N 3.23Å; Q66-Q69 VanDerWaalsContact O-CB 3.24Å; Q66-Q69 WeakPolarHBondContact O-CB 3.23Å; Q66-Q69 VanDerWaalsContact O-CG 3.31Å; Q66-Q69 WeakPolarHBondContact O-CG 3.05Å; Q66-Q69 PolarHBondContact O-N 3.14Å; Q66-I77 HydrophobicContact CG-CB 4.17Å; Q66-I77 PolarHBondContact NE2-O 2.7Å
67H95.3Very high94Very high143 Ų14375.9 Ų75.966%0.66238%0.375SS*.Hα-helixtrans-61.9-27.2176.7-69.2174.6000112.6L63 D64 Q69L63-H67 PolarHBondContact O-CD2 2.82Å; L63-H67 VanDerWaalsContact O-CG 3.28Å; L63-H67 PolarHBondContact O-N 3.2Å; D64-H67 PolarHBondContact O-N 3.23Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 3.31Å
68G93.2Very high93.9Very high21 Ų2174.3 Ų74.322%0.21637%0.371CS..G310 helixtrans-74.9-9.4174.200000115.5D64 L65 Q66 Q70 F71 F72D64-G68 PolarHBondContact O-N 2.83Å; L65-G68 PolarHBondContact O-N 2.98Å; Q66-G68 PolarHBondContact O-N 3.23Å; G68-Q70 PolarHBondContact O-N 3.04Å; G68-F71 WeakPolarHBondContact O-CD2 3.29Å; G68-F71 PolarHBondContact O-N 2.86Å; G68-F72 WeakPolarHBondContact O-CD1 3.45Å; G68-F72 WeakPolarHBondContact O-CE1 3.5Å
69Q88.1Confident93.9Very high81 Ų8174.8 Ų74.838%0.37938%0.376SS..G310 helixtrans-58.7-19.8-168.3-81.2-179.3-3000115.6Q66 H67 F71 F72 C75Q66-Q69 VanDerWaalsContact O-CB 3.24Å; Q66-Q69 WeakPolarHBondContact O-CB 3.23Å; Q66-Q69 VanDerWaalsContact O-CG 3.31Å; Q66-Q69 WeakPolarHBondContact O-CG 3.05Å; Q66-Q69 PolarHBondContact O-N 3.14Å; H67-Q69 VanDerWaalsContact C-N 3.31Å; H67-Q69 PolarHBondContact O-N 3.31Å; Q69-F71 PolarHBondContact O-N 3.35Å; Q69-F72 HydrophobicContact CB-CE1 4.39Å; Q69-F72 HydrophobicContact CB-CZ 4.12Å; Q69-F72 HydrophobicContact CG-CE1 4.19Å; Q69-F72 HydrophobicContact CG-CE2 4.19Å; Q69-F72 HydrophobicContact CG-CZ 3.52Å; Q69-C75 PolarHBondContact NE2-O 2.97Å
70Q92.4Very high93.9Very high172 Ų17268.8 Ų68.880%0.80435%0.353SS*.G310 helixtrans-66.8-26.1173.8-175.7178.8-41.300112.7G68G68-Q70 PolarHBondContact O-N 3.04Å
71F92.4Very high93.9Very high167 Ų16770.7 Ų70.773%0.73236%0.357SS*.G310 helixtrans-98.20.8-168.5-53.2-64.5000114.4G68 Q69G68-F71 WeakPolarHBondContact O-CD2 3.29Å; G68-F71 PolarHBondContact O-N 2.86Å; Q69-F71 PolarHBondContact O-N 3.35Å
72F84.2Confident93.9Very high52 Ų5272 Ų7223%0.22837%0.365CS..SBendtrans-144.7175.8-179.862.9-90.5000112M42 G68 Q69 C75 I77M42-F72 HydrophobicContact CE-CD1 3.36Å; M42-F72 HydrophobicContact CE-CD2 3.54Å; M42-F72 HydrophobicContact CE-CE1 3.12Å; M42-F72 HydrophobicContact CE-CE2 3.4Å; M42-F72 VanDerWaalsContact CE-CE2 3.4Å; M42-F72 HydrophobicContact CE-CG 3.57Å; M42-F72 HydrophobicContact CE-CZ 3.17Å; G68-F72 WeakPolarHBondContact O-CD1 3.45Å; G68-F72 WeakPolarHBondContact O-CE1 3.5Å; Q69-F72 HydrophobicContact CB-CE1 4.39Å; Q69-F72 HydrophobicContact CB-CZ 4.12Å; Q69-F72 HydrophobicContact CG-CE1 4.19Å; Q69-F72 HydrophobicContact CG-CE2 4.19Å; Q69-F72 HydrophobicContact CG-CZ 3.52Å; F72-C75 HydrophobicContact CE2-CB 4.08Å; F72-I77 HydrophobicContact CE2-CD1 4.42Å; F72-I77 HydrophobicContact CZ-CD1 3.93Å
73G77.3Confident93.9Very high57 Ų5773.3 Ų73.359%0.58837%0.369SS*.SBendtrans-58.5163.1178.600000113.4C75G73-C75 PolarHBondContact O-N 3.14Å
74R86Confident93.9Very high210 Ų21075.7 Ų75.779%0.79238%0.377SS*.  trans-73.687.4-174.3-168.7179.3171.2-173.43112.8R22R22-R74 PolarHBondContact NH1-O 2.98Å; R22-R74 VanDerWaalsContact NH2-CD 3.29Å; R22-R74 VanDerWaalsContact NH2-CZ 3.33Å
75C93.9Very high93.9Very high2 Ų274.6 Ų74.61%0.01437%0.365CS..  trans-104.4126.2169.3179.80000110.9T45 G46 Q69 F72 G73T45-C75 WeakPolarHBondContact O-CB 3.3Å; G46-C75 CarbonylContact O-C 3.58Å; G46-C75 WeakPolarHBondContact O-CA 3.38Å; Q69-C75 PolarHBondContact NE2-O 2.97Å; F72-C75 HydrophobicContact CE2-CB 4.08Å; G73-C75 PolarHBondContact O-N 3.14Å
76K94.8Very high93.9Very high112 Ų11274 Ų7449%0.48736%0.362SS..EExtended strand (participates in β ladder)trans-78.3122.8173.2-179-173174.7-170.40108.7G46 E47 L48G46-K76 PolarHBondContact O-N 2.93Å; E47-K76 CarbonylContact C-O 3.59Å; E47-K76 VanDerWaalsContact CA-O 3.28Å; E47-K76 WeakPolarHBondContact CA-O 3.25Å; E47-K76 HydrophobicContact CB-CB 4.47Å; E47-K76 HydrophobicContact CG-CB 4.07Å; E47-K76 HydrophobicContact CG-CD 4.5Å; L48-K76 PolarHBondContact N-O 3.1Å
77I96.6Very high94Very high5 Ų572.4 Ų72.43%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-115.6126.9-176.3-51.5-178.4000108.5L48 V62 L65 Q66 F72L48-I77 HydrophobicContact CB-CG1 4.41Å; L48-I77 HydrophobicContact CD2-CG2 4.36Å; L48-I77 WeakPolarHBondContact O-CA 3.38Å; V62-I77 HydrophobicContact CG1-CG2 4.48Å; L65-I77 HydrophobicContact CB-CD1 3.67Å; L65-I77 HydrophobicContact CB-CG2 4.18Å; L65-I77 HydrophobicContact CD1-CD1 4.5Å; L65-I77 HydrophobicContact CD1-CG2 4.26Å; Q66-I77 HydrophobicContact CG-CB 4.17Å; Q66-I77 PolarHBondContact NE2-O 2.7Å; F72-I77 HydrophobicContact CE2-CD1 4.42Å; F72-I77 HydrophobicContact CZ-CD1 3.93Å
78D97.1Very high94.1Very high64 Ų6472.1 Ų72.134%0.34236%0.362SS..EExtended strand (participates in β ladder)trans-147.5167.4177.6-155.7-6.8000109.7L48 A49 L50 Y85L48-D78 PolarHBondContact O-N 2.64Å; L48-D78 VanDerWaalsContact O-N 3.08Å; A49-D78 CarbonylContact C-O 3.58Å; A49-D78 VanDerWaalsContact CA-O 3.27Å; A49-D78 WeakPolarHBondContact CA-O 3.31Å; L50-D78 PolarHBondContact N-O 3.03Å; D78-Y85 HydrophobicContact CB-CD1 4.16Å; D78-Y85 HydrophobicContact CB-CE1 4.46Å; D78-Y85 WeakPolarHBondContact OD1-CE1 3.49Å; D78-Y85 WeakPolarHBondContact OD2-CE1 3.14Å
79G98.1Very high94.3Very high10 Ų1071.3 Ų71.310%0.10335%0.354CS..EExtended strand (participates in β ladder)trans168.5170.218000000115L50L50-G79 CarbonylContact O-C 3.59Å; L50-G79 WeakPolarHBondContact O-CA 3.4Å
80G98.5Very high94.8Very high11 Ų1171 Ų7111%0.11336%0.355CS..EExtended strand (participates in β ladder)trans169.2-160.3-17800000112L50 I51 D52L50-G80 PolarHBondContact O-N 2.77Å; I51-G80 WeakPolarHBondContact CA-O 3.35Å; D52-G80 PolarHBondContact N-O 3.09Å
81T98.3Very high95.1Very high78 Ų7863 Ų6348%0.47932%0.317SS..SBendtrans-86.5-19.9178.257.20000113.4D52 A55D52-T81 WeakPolarHBondContact O-CA 3.46Å; D52-T81 WeakPolarHBondContact O-CG2 3.45Å; A55-T81 HydrophobicContact CB-CG2 3.77Å
82D97.9Very high95.4Very high59 Ų5955 Ų5532%0.31628%0.282SS..SBendtrans-84.8128.1-179.3-168.3-21.7000111K84 Y85D82-K84 PolarHBondContact O-N 3.16Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 2.84Å; D82-K84 VanDerWaalsContact OD2-CD 3.28Å; D82-K84 WeakPolarHBondContact OD2-CD 3.36Å; D82-K84 VanDerWaalsContact OD2-CE 3.29Å; D82-K84 WeakPolarHBondContact OD2-CE 3.29Å; D82-K84 IonicContact OD2-NZ 2.98Å; D82-K84 PolarHBondContact OD2-NZ 2.91Å; D82-Y85 WeakPolarHBondContact O-CD2 3.47Å; D82-Y85 PolarHBondContact O-N 2.9Å
83Y98.3Very high96.1Very high35 Ų3552.5 Ų52.514%0.13727%0.271CS..G310 helixtrans-65.2-11.3177.3-79.2-101.5000114.3I28 I51 Y85 S86 I120 N123 I124I28-Y83 HydrophobicContact CD1-CD1 4.49Å; I28-Y83 HydrophobicContact CD1-CE1 3.96Å; I51-Y83 HydrophobicContact CD1-CD1 3.86Å; I51-Y83 HydrophobicContact CD1-CE1 4.37Å; I51-Y83 HydrophobicContact CD1-CG 4.17Å; I51-Y83 HydrophobicContact CG2-CD1 4.49Å; I51-Y83 HydrophobicContact CG2-CD2 4.37Å; I51-Y83 HydrophobicContact CG2-CE1 4.25Å; I51-Y83 HydrophobicContact CG2-CE2 4.11Å; Y83-Y85 PolarHBondContact O-N 3.24Å; Y83-Y85 VanDerWaalsContact O-N 3.17Å; Y83-S86 WeakPolarHBondContact O-CB 3.43Å; Y83-S86 PolarHBondContact O-N 3.23Å; Y83-S86 PolarHBondContact O-OG 3.48Å; Y83-I120 HydrophobicContact CE1-CG2 4.22Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.42Å; Y83-N123 HydrophobicContact CD1-CB 3.5Å; Y83-N123 HydrophobicContact CD2-CB 3.88Å; Y83-N123 HydrophobicContact CE1-CB 3.96Å; Y83-N123 HydrophobicContact CE2-CB 4.3Å; Y83-N123 HydrophobicContact CG-CB 3.46Å; Y83-N123 VanDerWaalsContact CG-CB 3.46Å; Y83-I124 HydrophobicContact CD1-CG1 4.47Å; Y83-I124 HydrophobicContact CE1-CG1 4.28Å
84K97.8Very high97.2Very high125 Ų12549.8 Ų49.854%0.54324%0.243SC..G310 helixtrans-55.1-29.7171.6-72.2173.6-160.2148.90113.6D82 S86 A87 Y127D82-K84 PolarHBondContact O-N 3.16Å; D82-K84 VanDerWaalsContact O-N 3.09Å; D82-K84 WeakPolarHBondContact OD1-CG 3.48Å; D82-K84 PolarHBondContact OD1-N 2.84Å; D82-K84 VanDerWaalsContact OD2-CD 3.28Å; D82-K84 WeakPolarHBondContact OD2-CD 3.36Å; D82-K84 VanDerWaalsContact OD2-CE 3.29Å; D82-K84 WeakPolarHBondContact OD2-CE 3.29Å; D82-K84 IonicContact OD2-NZ 2.98Å; D82-K84 PolarHBondContact OD2-NZ 2.91Å; K84-S86 PolarHBondContact O-N 3.4Å; K84-A87 VanDerWaalsContact O-CB 3.29Å; K84-A87 WeakPolarHBondContact O-CB 3.49Å; K84-A87 PolarHBondContact O-N 2.93Å; K84-Y127 HydrophobicContact CB-CE1 4.36Å; K84-Y127 HydrophobicContact CG-CD1 4.28Å; K84-Y127 HydrophobicContact CG-CE1 3.49Å; K84-Y127 VanDerWaalsContact CG-CE1 3.49Å
85Y97.9Very high97.8Very high87 Ų8740.9 Ų40.934%0.34121%0.212SC..G310 helixtrans-59.3-27.7173.9-70.5-69.7000112.3K24 A49 D78 D82 Y83 A87K24-Y85 VanDerWaalsContact CE-O 3.27Å; K24-Y85 WeakPolarHBondContact CE-O 3.43Å; K24-Y85 PolarHBondContact NZ-O 3.39Å; A49-Y85 VanDerWaalsContact CB-O 3.3Å; A49-Y85 WeakPolarHBondContact CB-O 3.39Å; D78-Y85 HydrophobicContact CB-CD1 4.16Å; D78-Y85 HydrophobicContact CB-CE1 4.46Å; D78-Y85 WeakPolarHBondContact OD1-CE1 3.49Å; D78-Y85 WeakPolarHBondContact OD2-CE1 3.14Å; D82-Y85 WeakPolarHBondContact O-CD2 3.47Å; D82-Y85 PolarHBondContact O-N 2.9Å; Y83-Y85 PolarHBondContact O-N 3.24Å; Y83-Y85 VanDerWaalsContact O-N 3.17Å; Y85-A87 VanDerWaalsContact C-N 3.3Å; Y85-A87 PolarHBondContact O-N 2.93Å
86S98.1Very high97.9Very high0 Ų041.8 Ų41.80%022%0.22CC..G310 helixtrans-81.73176.572.20000115T26 Y83 K84 N88 S89 S128T26-S86 WeakPolarHBondContact OG1-CA 3.34Å; T26-S86 WeakPolarHBondContact OG1-CB 3.3Å; Y83-S86 WeakPolarHBondContact O-CB 3.43Å; Y83-S86 PolarHBondContact O-N 3.23Å; Y83-S86 PolarHBondContact O-OG 3.48Å; K84-S86 PolarHBondContact O-N 3.4Å; S86-N88 PolarHBondContact O-N 2.9Å; S86-S89 PolarHBondContact O-N 2.89Å; S86-S89 PolarHBondContact O-OG 3.29Å; S86-S128 PolarHBondContact O-OG 3.43Å
87A97.9Very high97.9Very high29 Ų2938.3 Ų38.324%0.2422%0.216CC..THydrogen-bonded Turntrans-60.6134.6-175.600000112.5K24 K84 Y85 S89 Y127K24-A87 WeakPolarHBondContact CE-O 3.22Å; K24-A87 PolarHBondContact NZ-O 2.96Å; K84-A87 VanDerWaalsContact O-CB 3.29Å; K84-A87 WeakPolarHBondContact O-CB 3.49Å; K84-A87 PolarHBondContact O-N 2.93Å; Y85-A87 VanDerWaalsContact C-N 3.3Å; Y85-A87 PolarHBondContact O-N 2.93Å; A87-S89 PolarHBondContact O-N 2.82Å; A87-Y127 VanDerWaalsContact CA-O 3.31Å; A87-Y127 WeakPolarHBondContact CA-O 3.37Å
88N97Very high97.6Very high137 Ų13739.3 Ų39.373%0.73323%0.225SC*.THydrogen-bonded Turntrans60.235.6-179.9-50.1-55000114.9S86 Y127 S128S86-N88 PolarHBondContact O-N 2.9Å; N88-Y127 PolarHBondContact N-O 3.21Å; N88-S128 PolarHBondContact N-OG 3.46Å
89S98.4Very high97.1Very high4 Ų445.4 Ų45.43%0.02824%0.243CC..  trans-73.8141.5171.4-640000111.4K24 T26 S86 A87 S128 C131K24-S89 WeakPolarHBondContact CE-OG 3.36Å; T26-S89 PolarHBondContact OG1-OG 3.18Å; S86-S89 PolarHBondContact O-N 2.89Å; S86-S89 PolarHBondContact O-OG 3.29Å; A87-S89 PolarHBondContact O-N 2.82Å; S89-S128 PolarHBondContact N-OG 3.05Å; S89-C131 WeakPolarHBondContact O-CB 3.43Å
90D98.5Very high96.4Very high75 Ų7550.8 Ų50.840%0.40127%0.266SS..SBendtrans-78.2-38.2170.7-58.2-65.1000110.4S23 K24 C131 I132 L264S23-D90 WeakPolarHBondContact CA-OD2 3.34Å; K24-D90 PolarHBondContact N-OD2 2.77Å; K24-D90 PolarHBondContact O-N 2.89Å; D90-C131 CarbonylContact O-C 3.56Å; D90-C131 VanDerWaalsContact O-CA 3.27Å; D90-C131 WeakPolarHBondContact O-CA 3.26Å; D90-I132 PolarHBondContact O-N 3.02Å; D90-L264 HydrophobicContact CB-CD2 3.91Å
91I98.8Very high95.8Very high3 Ų354.7 Ų54.72%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-133.5136.5-179-53.8172.9000109.8K24 V25 T26 V93 I132 V134 C260 L263 L264K24-I91 PolarHBondContact O-N 3.37Å; V25-I91 CarbonylContact C-O 3.6Å; V25-I91 WeakPolarHBondContact CA-O 3.41Å; V25-I91 HydrophobicContact CG2-CB 4.36Å; T26-I91 PolarHBondContact N-O 3.48Å; I91-V93 HydrophobicContact CG2-CG2 4.16Å; I91-I132 CarbonylContact C-O 3.53Å; I91-I132 WeakPolarHBondContact CA-O 3.34Å; I91-V134 HydrophobicContact CG2-CG2 3.81Å; I91-C260 HydrophobicContact CD1-CB 4.03Å; I91-L263 HydrophobicContact CD1-CB 3.53Å; I91-L263 HydrophobicContact CD1-CD1 3.82Å; I91-L263 HydrophobicContact CD1-CG 4.33Å; I91-L263 HydrophobicContact CG1-CB 4.4Å; I91-L263 HydrophobicContact CG1-CD1 4.35Å; I91-L263 HydrophobicContact CG2-CD1 4.48Å; I91-L264 HydrophobicContact CD1-CD1 4.48Å; I91-L264 HydrophobicContact CD1-CD2 3.63Å; I91-L264 HydrophobicContact CD1-CG 3.65Å; I91-L264 HydrophobicContact CG1-CD2 4.07Å
92V98.9Very high95Very high0 Ų060.7 Ų60.70%031%0.306CS..EExtended strand (participates in β ladder)trans-119.8114.6170.4-175.30000110T26 I28 I94 I124 C131 I132 I133 V134T26-V92 HydrophobicContact CG2-CG1 4.21Å; T26-V92 CarbonylContact O-C 3.55Å; T26-V92 WeakPolarHBondContact O-CA 3.38Å; I28-V92 HydrophobicContact CD1-CG1 4.15Å; I28-V92 HydrophobicContact CG1-CG1 3.78Å; V92-I94 HydrophobicContact CG1-CG1 4.44Å; V92-I124 HydrophobicContact CB-CD1 4.47Å; V92-I124 HydrophobicContact CB-CG2 4.15Å; V92-I124 HydrophobicContact CG1-CD1 3.58Å; V92-I124 HydrophobicContact CG1-CG1 3.98Å; V92-I124 HydrophobicContact CG1-CG2 4.24Å; V92-I124 HydrophobicContact CG2-CG2 3.89Å; V92-C131 HydrophobicContact CG2-CB 4.09Å; V92-I132 PolarHBondContact N-O 3.29Å; V92-I133 WeakPolarHBondContact O-CA 3.43Å; V92-V134 PolarHBondContact O-N 3.43Å
93V98.9Very high94.5Very high0 Ų062 Ų620%033%0.334CS..EExtended strand (participates in β ladder)trans-94.8118.4178.9-174.60000109.2V25 T26 V27 I28 I91 T95 V134 V136V25-V93 HydrophobicContact CG1-CG2 4.1Å; T26-V93 PolarHBondContact O-N 2.88Å; V27-V93 WeakPolarHBondContact CA-O 3.25Å; V27-V93 HydrophobicContact CG2-CB 4.39Å; I28-V93 PolarHBondContact N-O 3.07Å; I91-V93 HydrophobicContact CG2-CG2 4.16Å; V93-T95 HydrophobicContact CG1-CG2 3.97Å; V93-V134 CarbonylContact C-O 3.52Å; V93-V134 WeakPolarHBondContact CA-O 3.47Å; V93-V134 HydrophobicContact CG2-CB 4.32Å; V93-V136 HydrophobicContact CG1-CG2 3.52Å
94I98.9Very high94.1Very high0 Ų061.6 Ų61.60%033%0.333CS..EExtended strand (participates in β ladder)trans-102.4110.4-178.1-52.3177.8000109.1I28 V92 F117 I120 I121 I124 I133 V134 V136 S137I28-I94 HydrophobicContact CG1-CG1 4.36Å; V92-I94 HydrophobicContact CG1-CG1 4.44Å; I94-F117 HydrophobicContact CB-CZ 4.48Å; I94-F117 HydrophobicContact CD1-CE1 4.47Å; I94-F117 HydrophobicContact CG2-CE1 4.4Å; I94-F117 HydrophobicContact CG2-CE2 3.92Å; I94-F117 HydrophobicContact CG2-CZ 3.66Å; I94-I120 HydrophobicContact CD1-CG2 4.36Å; I94-I120 HydrophobicContact CG2-CD1 4.46Å; I94-I121 HydrophobicContact CD1-CD1 3.38Å; I94-I124 HydrophobicContact CD1-CD1 3.7Å; I94-I124 HydrophobicContact CG1-CD1 4.05Å; I94-I133 HydrophobicContact CD1-CG2 3.63Å; I94-I133 HydrophobicContact CG1-CG2 4.25Å; I94-V134 PolarHBondContact N-O 3.02Å; I94-V136 WeakPolarHBondContact O-CA 3.46Å; I94-V136 WeakPolarHBondContact O-CB 3.47Å; I94-V136 PolarHBondContact O-N 3.05Å; I94-S137 PolarHBondContact O-N 2.92Å; I94-S137 PolarHBondContact O-OG 2.99Å
95T98.6Very high93.6Very high22 Ų2258.2 Ų58.214%0.13533%0.326CS..  trans-114.1-10.2177.2760000112.8V27 I28 G29 V33 G34 V93 V136 S137V27-T95 HydrophobicContact CG1-CG2 4.18Å; I28-T95 WeakPolarHBondContact O-CA 3.36Å; I28-T95 PolarHBondContact O-N 3.42Å; I28-T95 PolarHBondContact O-OG1 2.94Å; G29-T95 PolarHBondContact O-OG1 3.04Å; V33-T95 HydrophobicContact CG1-CG2 3.98Å; G34-T95 VanDerWaalsContact CA-OG1 3.31Å; G34-T95 WeakPolarHBondContact CA-OG1 3.36Å; V93-T95 HydrophobicContact CG1-CG2 3.97Å; T95-V136 HydrophobicContact CG2-CB 4.13Å; T95-V136 HydrophobicContact CG2-CG2 4.14Å; T95-S137 VanDerWaalsContact C-OG 3.26Å
96A97.2Very high93Very high21 Ų2158.9 Ų58.917%0.17433%0.327CS..  trans-67.6133.1176.700000111.2I28 I120 S137I28-A96 HydrophobicContact CG2-CB 4.07Å; I28-A96 PolarHBondContact O-N 3.35Å; A96-I120 HydrophobicContact CB-CD1 3.87Å; A96-S137 PolarHBondContact N-OG 3.44Å; A96-S137 WeakPolarHBondContact O-CB 3.44Å; A96-S137 PolarHBondContact O-OG 3.06Å
97G93.6Very high92.6Very high40 Ų4062.3 Ų62.341%0.41235%0.345SS..  trans-173.7160.5177.300000111.6N113G97-N113 WeakPolarHBondContact CA-OD1 3.25Å
98A91.4Very high92.4Very high25 Ų2565.3 Ų65.321%0.20736%0.357CS..PPolyproline II helixtrans-75.3141.117200000110.3L109 R112 N113 I116A98-L109 HydrophobicContact CB-CD1 4.44Å; A98-R112 HydrophobicContact CB-CB 4.32Å; A98-N113 PolarHBondContact N-OD1 3.3Å; A98-N113 PolarHBondContact O-ND2 2.9Å; A98-I116 HydrophobicContact CB-CD1 3.94Å
99R85.9Confident92.2Very high192 Ų19259.9 Ų59.973%0.72533%0.328SS*.PPolyproline II helixtrans-81.4149.1167.5-63.5-177.5-177.7-176.70.4109.6N101 R112R99-N101 PolarHBondContact O-N 3.35Å; R99-R112 PolarHBondContact O-NH2 3.48Å
100Q83.2Confident92Very high124 Ų12459.7 Ų59.758%0.57933%0.327SS*.PPolyproline II helixtrans-62130.2173.8-165.4170.17.400110.2E104 L109Q100-E104 WeakPolarHBondContact CA-OE2 3.37Å; Q100-E104 HydrophobicContact CG-CB 4.26Å; Q100-E104 PolarHBondContact NE2-O 3.2Å; Q100-E104 VanDerWaalsContact NE2-O 3.07Å; Q100-L109 HydrophobicContact CB-CD1 4.4Å; Q100-L109 HydrophobicContact CB-CD2 3.82Å; Q100-L109 HydrophobicContact CG-CD2 4.01Å
101N85.6Confident91.9Very high92 Ų9257.8 Ų57.849%0.49232%0.315SS..PPolyproline II helixtrans-84.4155171.2-64.3-22.8000109.8R99 G103 E104R99-N101 PolarHBondContact O-N 3.35Å; N101-G103 PolarHBondContact O-N 3.13Å; N101-E104 HydrophobicContact CB-CB 4.12Å; N101-E104 PolarHBondContact N-OE2 2.84Å; N101-E104 WeakPolarHBondContact O-CB 3.35Å; N101-E104 PolarHBondContact O-N 3.5Å; N101-E104 VanDerWaalsContact O-N 3.09Å
102E82.8Confident91.8Very high204 Ų20461.2 Ų61.295%0.95333%0.328SS*.THydrogen-bonded Turntrans-58130.1175-169.1175.8-179.800110.8E104E102-E104 PolarHBondContact O-N 3.44Å
103G86.4Confident91.7Very high87 Ų8761.2 Ų61.290%0.89733%0.328SS*.THydrogen-bonded Turntrans742.3-177.900000115.7N101N101-G103 PolarHBondContact O-N 3.13Å
104E90.3Very high91.7Very high26 Ų2661.2 Ų61.212%0.12133%0.328CS..  trans-74.4132.6-178.9-171.7-174.2-157.500112.6Q100 N101 E102 N108 L109 R112Q100-E104 WeakPolarHBondContact CA-OE2 3.37Å; Q100-E104 HydrophobicContact CG-CB 4.26Å; Q100-E104 PolarHBondContact NE2-O 3.2Å; Q100-E104 VanDerWaalsContact NE2-O 3.07Å; N101-E104 HydrophobicContact CB-CB 4.12Å; N101-E104 PolarHBondContact N-OE2 2.84Å; N101-E104 WeakPolarHBondContact O-CB 3.35Å; N101-E104 PolarHBondContact O-N 3.5Å; N101-E104 VanDerWaalsContact O-N 3.09Å; E102-E104 PolarHBondContact O-N 3.44Å; E104-N108 HydrophobicContact CG-CB 3.83Å; E104-L109 HydrophobicContact CG-CB 4.5Å; E104-L109 VanDerWaalsContact OE1-CA 3.31Å; E104-L109 WeakPolarHBondContact OE1-CA 2.96Å; E104-L109 PolarHBondContact OE1-N 3.23Å; E104-L109 VanDerWaalsContact OE1-N 3.17Å; E104-R112 IonicContact OE1-CZ 3.21Å; E104-R112 IonicContact OE1-NE 2.59Å; E104-R112 PolarHBondContact OE1-NE 3.08Å; E104-R112 IonicContact OE1-NH2 3.78Å; E104-R112 PolarHBondContact OE1-NH2 3.34Å; E104-R112 IonicContact OE2-CZ 3.89Å; E104-R112 IonicContact OE2-NE 2.63Å; E104-R112 IonicContact OE2-NH2 2.66Å; E104-R112 PolarHBondContact OE2-NH2 3.46Å
105S87Confident91.6Very high55 Ų5564.5 Ų64.539%0.38535%0.346SS..  trans-65.5148.3173.576.70000111.8L107 N108 L109S105-L107 PolarHBondContact O-N 2.86Å; S105-N108 PolarHBondContact O-N 2.95Å; S105-N108 VanDerWaalsContact O-N 3.14Å; S105-N108 WeakPolarHBondContact OG-CB 3.43Å; S105-N108 PolarHBondContact OG-N 2.91Å; S105-N108 PolarHBondContact OG-ND2 2.7Å; S105-L109 PolarHBondContact O-N 3.02Å; S105-L109 VanDerWaalsContact O-N 3.11Å
106R86.1Confident91.5Very high100 Ų10066 Ų6638%0.37735%0.353SS..Hα-helixtrans-52.5-41.8174.8-177.8176.2171.1163.24.4111.9L109 V110 E192R106-L109 PolarHBondContact O-N 3.48Å; R106-V110 WeakPolarHBondContact O-CG2 3.25Å; R106-V110 PolarHBondContact O-N 3.06Å; R106-E192 IonicContact CZ-OE1 3.1Å; R106-E192 VanDerWaalsContact CZ-OE1 3.29Å; R106-E192 IonicContact NH1-OE1 2.64Å; R106-E192 PolarHBondContact NH1-OE1 3.37Å; R106-E192 IonicContact NH2-OE1 2.73Å; R106-E192 PolarHBondContact NH2-OE1 3.37Å
107L90.1Very high91.6Very high72 Ų7265 Ų6538%0.37734%0.344SS..Hα-helixtrans-65.2-41.8-180-173.963.8000112.4S105 V110 Q111 V326 I330S105-L107 PolarHBondContact O-N 2.86Å; L107-V110 PolarHBondContact O-N 2.98Å; L107-Q111 PolarHBondContact O-N 3Å; L107-V326 HydrophobicContact CD1-CG1 4.27Å; L107-I330 HydrophobicContact CD1-CG2 4.15Å
108N92.4Very high91.8Very high92 Ų9266.2 Ų66.249%0.49234%0.338SS..Hα-helixtrans-65.9-41.8178.2-73.3-7.4000111.7E104 S105 V110 Q111 R112E104-N108 HydrophobicContact CG-CB 3.83Å; S105-N108 PolarHBondContact O-N 2.95Å; S105-N108 VanDerWaalsContact O-N 3.14Å; S105-N108 WeakPolarHBondContact OG-CB 3.43Å; S105-N108 PolarHBondContact OG-N 2.91Å; S105-N108 PolarHBondContact OG-ND2 2.7Å; N108-V110 VanDerWaalsContact C-N 3.31Å; N108-V110 PolarHBondContact O-N 3.39Å; N108-Q111 PolarHBondContact O-N 2.93Å; N108-R112 WeakPolarHBondContact O-CG 3.3Å; N108-R112 PolarHBondContact O-N 3.34Å
109L93.2Very high92.1Very high23 Ų2372.3 Ų72.312%0.1236%0.36CS..Hα-helixtrans-59.9-44174.717361.8000111.3A98 Q100 E104 S105 R106 R112 N113A98-L109 HydrophobicContact CB-CD1 4.44Å; Q100-L109 HydrophobicContact CB-CD1 4.4Å; Q100-L109 HydrophobicContact CB-CD2 3.82Å; Q100-L109 HydrophobicContact CG-CD2 4.01Å; E104-L109 HydrophobicContact CG-CB 4.5Å; E104-L109 VanDerWaalsContact OE1-CA 3.31Å; E104-L109 WeakPolarHBondContact OE1-CA 2.96Å; E104-L109 PolarHBondContact OE1-N 3.23Å; E104-L109 VanDerWaalsContact OE1-N 3.17Å; S105-L109 PolarHBondContact O-N 3.02Å; S105-L109 VanDerWaalsContact O-N 3.11Å; R106-L109 PolarHBondContact O-N 3.48Å; L109-R112 VanDerWaalsContact CD1-NH2 3.34Å; L109-N113 WeakPolarHBondContact CD1-ND2 3.32Å; L109-N113 PolarHBondContact O-N 2.96Å; L109-N113 PolarHBondContact O-ND2 2.96Å
110V94.7Very high92.7Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-61.2-49.9176.4175.10000109.8R106 L107 N108 R112 N113 V114 P139 I142 V326 I330R106-V110 WeakPolarHBondContact O-CG2 3.25Å; R106-V110 PolarHBondContact O-N 3.06Å; L107-V110 PolarHBondContact O-N 2.98Å; N108-V110 VanDerWaalsContact C-N 3.31Å; N108-V110 PolarHBondContact O-N 3.39Å; V110-R112 PolarHBondContact O-N 3.43Å; V110-N113 CarbonylContact O-C 3.48Å; V110-N113 WeakPolarHBondContact O-CB 3.43Å; V110-N113 PolarHBondContact O-N 3.42Å; V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.24Å; V110-P139 HydrophobicContact CG2-CG 3.6Å; V110-I142 HydrophobicContact CG1-CG2 3.69Å; V110-I142 HydrophobicContact CG2-CD1 4.04Å; V110-V326 HydrophobicContact CG1-CG1 4.4Å; V110-V326 HydrophobicContact CG2-CG1 4.03Å; V110-I330 HydrophobicContact CB-CG2 4.37Å; V110-I330 HydrophobicContact CG1-CG2 3.43Å; V110-I330 VanDerWaalsContact CG1-CG2 3.43Å
111Q96.2Very high93.4Very high35 Ų3557.6 Ų57.616%0.16430%0.3CS..Hα-helixtrans-60.2-41.9-178.2-172.459.952.300112.4L107 N108 N113 V114 D115 I331L107-Q111 PolarHBondContact O-N 3Å; N108-Q111 PolarHBondContact O-N 2.93Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 3.43Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 2.9Å; Q111-V114 VanDerWaalsContact O-N 3.14Å; Q111-D115 PolarHBondContact NE2-OD1 3.23Å; Q111-D115 VanDerWaalsContact NE2-OD1 3.12Å; Q111-D115 VanDerWaalsContact O-CG 3.31Å; Q111-D115 PolarHBondContact O-N 3.29Å; Q111-I331 PolarHBondContact NE2-O 3.16Å; Q111-I331 VanDerWaalsContact NE2-O 3.13Å
112R96.6Very high94Very high75 Ų7556.3 Ų56.328%0.28330%0.296SS..Hα-helixtrans-60.2-40.5174.7-71.4-169.3-58.6139.25.8112.2A98 R99 E104 N108 L109 V110 D115 I116A98-R112 HydrophobicContact CB-CB 4.32Å; R99-R112 PolarHBondContact O-NH2 3.48Å; E104-R112 IonicContact OE1-CZ 3.21Å; E104-R112 IonicContact OE1-NE 2.59Å; E104-R112 PolarHBondContact OE1-NE 3.08Å; E104-R112 IonicContact OE1-NH2 3.78Å; E104-R112 PolarHBondContact OE1-NH2 3.34Å; E104-R112 IonicContact OE2-CZ 3.89Å; E104-R112 IonicContact OE2-NE 2.63Å; E104-R112 IonicContact OE2-NH2 2.66Å; E104-R112 PolarHBondContact OE2-NH2 3.46Å; N108-R112 WeakPolarHBondContact O-CG 3.3Å; N108-R112 PolarHBondContact O-N 3.34Å; L109-R112 VanDerWaalsContact CD1-NH2 3.34Å; V110-R112 PolarHBondContact O-N 3.43Å; R112-D115 PolarHBondContact O-N 3.31Å; R112-I116 WeakPolarHBondContact O-CG1 3.29Å; R112-I116 PolarHBondContact O-N 3Å
113N97.5Very high94.8Very high0 Ų049.1 Ų49.10%027%0.265CS..Hα-helixtrans-69.1-35.5175.7-80.4-68.6000112.4G97 A98 L109 V110 Q111 D115 I116 F117 L143G97-N113 WeakPolarHBondContact CA-OD1 3.25Å; A98-N113 PolarHBondContact N-OD1 3.3Å; A98-N113 PolarHBondContact O-ND2 2.9Å; L109-N113 WeakPolarHBondContact CD1-ND2 3.32Å; L109-N113 PolarHBondContact O-N 2.96Å; L109-N113 PolarHBondContact O-ND2 2.96Å; V110-N113 CarbonylContact O-C 3.48Å; V110-N113 WeakPolarHBondContact O-CB 3.43Å; V110-N113 PolarHBondContact O-N 3.42Å; Q111-N113 VanDerWaalsContact C-N 3.29Å; Q111-N113 PolarHBondContact O-N 3.43Å; N113-D115 VanDerWaalsContact C-N 3.34Å; N113-I116 PolarHBondContact O-N 3.32Å; N113-F117 VanDerWaalsContact O-CD2 3.29Å; N113-F117 WeakPolarHBondContact O-CD2 3.11Å; N113-F117 PolarHBondContact O-N 2.91Å; N113-L143 HydrophobicContact CB-CD1 3.86Å; N113-L143 HydrophobicContact CB-CD2 3.67Å; N113-L143 HydrophobicContact CB-CG 4.39Å
114V97.4Very high95.4Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-57.8-48.1170.6172.60000110.1V110 Q111 I116 F117 K118 V146 I330 L332V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CG2 3.32Å; V110-V114 PolarHBondContact O-N 3.24Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 2.9Å; Q111-V114 VanDerWaalsContact O-N 3.14Å; V114-I116 VanDerWaalsContact C-N 3.3Å; V114-I116 PolarHBondContact O-N 2.95Å; V114-F117 CarbonylContact O-C 3.23Å; V114-F117 WeakPolarHBondContact O-CA 3.34Å; V114-F117 WeakPolarHBondContact O-CB 3.13Å; V114-F117 PolarHBondContact O-N 3.17Å; V114-K118 WeakPolarHBondContact O-CG 3.15Å; V114-K118 PolarHBondContact O-N 2.93Å; V114-V146 HydrophobicContact CG1-CG1 4.24Å; V114-V146 HydrophobicContact CG2-CG1 4.23Å; V114-V146 HydrophobicContact CG2-CG2 3.74Å; V114-I330 HydrophobicContact CG2-CB 4.42Å; V114-I330 HydrophobicContact CG2-CD1 4.17Å; V114-I330 HydrophobicContact CG2-CG2 4.42Å; V114-L332 HydrophobicContact CG1-CD2 4.4Å
115D97.3Very high95.8Very high70 Ų7045.7 Ų45.737%0.37423%0.228SC..Hα-helixtrans-64-33.8179.5-62.7-24.3000113Q111 R112 N113Q111-D115 PolarHBondContact NE2-OD1 3.23Å; Q111-D115 VanDerWaalsContact NE2-OD1 3.12Å; Q111-D115 VanDerWaalsContact O-CG 3.31Å; Q111-D115 PolarHBondContact O-N 3.29Å; R112-D115 PolarHBondContact O-N 3.31Å; N113-D115 VanDerWaalsContact C-N 3.34Å
116I97.6Very high96.3Very high53 Ų5349.8 Ų49.827%0.27224%0.239SC..Hα-helixtrans-64.2-47.4169.8-69.7168.1000109.8A98 R112 N113 V114 K118 K119 I120A98-I116 HydrophobicContact CB-CD1 3.94Å; R112-I116 WeakPolarHBondContact O-CG1 3.29Å; R112-I116 PolarHBondContact O-N 3Å; N113-I116 PolarHBondContact O-N 3.32Å; V114-I116 VanDerWaalsContact C-N 3.3Å; V114-I116 PolarHBondContact O-N 2.95Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 2.88Å; I116-K119 WeakPolarHBondContact O-CB 3.27Å; I116-K119 PolarHBondContact O-N 3.14Å; I116-I120 HydrophobicContact CG2-CD1 3.49Å; I116-I120 VanDerWaalsContact CG2-CD1 3.49Å; I116-I120 HydrophobicContact CG2-CG1 4.18Å; I116-I120 WeakPolarHBondContact O-CG1 3.11Å; I116-I120 PolarHBondContact O-N 3.03Å; I116-I120 VanDerWaalsContact O-N 3.14Å
117F98.5Very high96.9Very high0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-64.5-33.7-179.2-87.6-133.2000112.6I94 N113 V114 K119 I120 I121 V135 L143 V146 A147 L150I94-F117 HydrophobicContact CB-CZ 4.48Å; I94-F117 HydrophobicContact CD1-CE1 4.47Å; I94-F117 HydrophobicContact CG2-CE1 4.4Å; I94-F117 HydrophobicContact CG2-CE2 3.92Å; I94-F117 HydrophobicContact CG2-CZ 3.66Å; N113-F117 VanDerWaalsContact O-CD2 3.29Å; N113-F117 WeakPolarHBondContact O-CD2 3.11Å; N113-F117 PolarHBondContact O-N 2.91Å; V114-F117 CarbonylContact O-C 3.23Å; V114-F117 WeakPolarHBondContact O-CA 3.34Å; V114-F117 WeakPolarHBondContact O-CB 3.13Å; V114-F117 PolarHBondContact O-N 3.17Å; F117-K119 PolarHBondContact O-N 3.16Å; F117-K119 VanDerWaalsContact O-N 3.16Å; F117-I120 PolarHBondContact O-N 2.86Å; F117-I120 VanDerWaalsContact O-N 3.14Å; F117-I121 HydrophobicContact CB-CG1 4.21Å; F117-I121 HydrophobicContact CD1-CD1 4.15Å; F117-I121 HydrophobicContact CD1-CG1 4.04Å; F117-I121 HydrophobicContact CG-CG1 4.4Å; F117-I121 WeakPolarHBondContact O-CB 3.34Å; F117-I121 WeakPolarHBondContact O-CG1 3.35Å; F117-I121 PolarHBondContact O-N 2.9Å; F117-V135 HydrophobicContact CE1-CG1 4.04Å; F117-V135 HydrophobicContact CE1-CG2 4.39Å; F117-V135 HydrophobicContact CZ-CG1 3.99Å; F117-L143 HydrophobicContact CE1-CB 3.88Å; F117-L143 WeakPolarHBondContact CE1-O 3.29Å; F117-L143 HydrophobicContact CE2-CD1 4.09Å; F117-L143 HydrophobicContact CZ-CB 3.94Å; F117-L143 HydrophobicContact CZ-CD1 4.06Å; F117-L143 HydrophobicContact CZ-CG 4.45Å; F117-V146 HydrophobicContact CB-CG1 4.05Å; F117-V146 HydrophobicContact CD1-CG1 4.36Å; F117-A147 HydrophobicContact CD1-CB 4.16Å; F117-A147 HydrophobicContact CE1-CB 4.13Å; F117-L150 HydrophobicContact CB-CD1 3.94Å
118K98Very high97.3Very high66 Ų6643.8 Ų43.829%0.28721%0.211SC..Hα-helixtrans-57.5-26.6171.9-68.9-172.6-156.5-1590113V114 I116 P122 L150 I331 L332V114-K118 WeakPolarHBondContact O-CG 3.15Å; V114-K118 PolarHBondContact O-N 2.93Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 2.88Å; K118-P122 VanDerWaalsContact O-CD 3.25Å; K118-P122 WeakPolarHBondContact O-CD 3.39Å; K118-P122 WeakPolarHBondContact O-CG 3.28Å; K118-L150 HydrophobicContact CG-CD1 4.08Å; K118-L150 HydrophobicContact CG-CD2 4.1Å; K118-I331 VanDerWaalsContact CE-O 3.32Å; K118-I331 WeakPolarHBondContact CE-O 3.45Å; K118-I331 PolarHBondContact NZ-O 3.14Å; K118-L332 VanDerWaalsContact CE-C 3.4Å; K118-L332 WeakPolarHBondContact CE-OXT 3.39Å; K118-L332 PolarHBondContact NZ-O 3.17Å; K118-L332 PolarHBondContact NZ-OXT 2.71Å
119K97.6Very high97.6Very high152 Ų15242.8 Ų42.866%0.66121%0.21SC*.Hα-helixtrans-88.8-35.5176-60.5173.5-175.4174.70112.5I116 F117 N123I116-K119 WeakPolarHBondContact O-CB 3.27Å; I116-K119 PolarHBondContact O-N 3.14Å; F117-K119 PolarHBondContact O-N 3.16Å; F117-K119 VanDerWaalsContact O-N 3.16Å; K119-N123 PolarHBondContact O-ND2 2.82Å
120I98.5Very high97.8Very high8 Ų850.5 Ų50.54%0.04124%0.243CC..Hα-helixtrans-77.4-55.4-176.2-62.4176.6000111.5I28 Y83 I94 A96 I116 F117 N123 I124I28-I120 HydrophobicContact CG1-CG2 4.37Å; I28-I120 HydrophobicContact CG2-CD1 4.04Å; I28-I120 HydrophobicContact CG2-CG1 4.44Å; I28-I120 HydrophobicContact CG2-CG2 4.03Å; Y83-I120 HydrophobicContact CE1-CG2 4.22Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.42Å; I94-I120 HydrophobicContact CD1-CG2 4.36Å; I94-I120 HydrophobicContact CG2-CD1 4.46Å; A96-I120 HydrophobicContact CB-CD1 3.87Å; I116-I120 HydrophobicContact CG2-CD1 3.49Å; I116-I120 VanDerWaalsContact CG2-CD1 3.49Å; I116-I120 HydrophobicContact CG2-CG1 4.18Å; I116-I120 WeakPolarHBondContact O-CG1 3.11Å; I116-I120 PolarHBondContact O-N 3.03Å; I116-I120 VanDerWaalsContact O-N 3.14Å; F117-I120 PolarHBondContact O-N 2.86Å; F117-I120 VanDerWaalsContact O-N 3.14Å; I120-N123 PolarHBondContact O-N 2.87Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.23Å; I120-I124 PolarHBondContact O-N 2.78Å; I120-I124 VanDerWaalsContact O-N 3.16Å
121I98.6Very high97.9Very high0 Ų050.5 Ų50.50%024%0.243CC..Hα-helixtrans-63.4-46.6-165.2-61-69.2000112.8I94 F117 N123 I124 V125 I133 A147 L150I94-I121 HydrophobicContact CD1-CD1 3.38Å; F117-I121 HydrophobicContact CB-CG1 4.21Å; F117-I121 HydrophobicContact CD1-CD1 4.15Å; F117-I121 HydrophobicContact CD1-CG1 4.04Å; F117-I121 HydrophobicContact CG-CG1 4.4Å; F117-I121 WeakPolarHBondContact O-CB 3.34Å; F117-I121 WeakPolarHBondContact O-CG1 3.35Å; F117-I121 PolarHBondContact O-N 2.9Å; I121-N123 PolarHBondContact O-N 2.84Å; I121-I124 HydrophobicContact CD1-CD1 4.38Å; I121-I124 WeakPolarHBondContact O-CB 3.42Å; I121-I124 PolarHBondContact O-N 3.43Å; I121-I124 VanDerWaalsContact O-N 3.09Å; I121-V125 HydrophobicContact CG2-CG2 4.38Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 2.83Å; I121-I133 HydrophobicContact CD1-CD1 4.43Å; I121-A147 HydrophobicContact CD1-CB 3.73Å; I121-A147 HydrophobicContact CG1-CB 4.4Å; I121-L150 HydrophobicContact CB-CB 3.95Å; I121-L150 HydrophobicContact CB-CD1 4.45Å; I121-L150 HydrophobicContact CG1-CB 4.36Å; I121-L150 HydrophobicContact CG1-CD1 4.32Å; I121-L150 HydrophobicContact CG2-CB 3.72Å
122P98.4Very high98.1Very high64 Ų6449.3 Ų49.342%0.41624%0.237SC..Hα-helixtrans-60.3-33.8179.1-26.337.2000113.4K118 K126K118-P122 VanDerWaalsContact O-CD 3.25Å; K118-P122 WeakPolarHBondContact O-CD 3.39Å; K118-P122 WeakPolarHBondContact O-CG 3.28Å; P122-K126 WeakPolarHBondContact O-CB 3.45Å; P122-K126 PolarHBondContact O-N 2.79Å
123N98.6Very high98.2Very high54 Ų5445.8 Ų45.829%0.28922%0.224SC..Hα-helixtrans-69.4-40.8175.7-77-66.1000111.7Y83 K119 I120 I121 V125 K126 Y127Y83-N123 HydrophobicContact CD1-CB 3.5Å; Y83-N123 HydrophobicContact CD2-CB 3.88Å; Y83-N123 HydrophobicContact CE1-CB 3.96Å; Y83-N123 HydrophobicContact CE2-CB 4.3Å; Y83-N123 HydrophobicContact CG-CB 3.46Å; Y83-N123 VanDerWaalsContact CG-CB 3.46Å; K119-N123 PolarHBondContact O-ND2 2.82Å; I120-N123 PolarHBondContact O-N 2.87Å; I121-N123 PolarHBondContact O-N 2.84Å; N123-V125 PolarHBondContact O-N 3.04Å; N123-K126 PolarHBondContact O-N 3.07Å; N123-Y127 WeakPolarHBondContact O-CD2 3.47Å; N123-Y127 PolarHBondContact O-N 2.87Å; N123-Y127 VanDerWaalsContact O-N 3.14Å
124I98.5Very high98.2Very high0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-57.6-49.9173.7-67.5169.7000110.4I28 Y83 V92 I94 I120 I121 K126 Y127 S128 I133I28-I124 HydrophobicContact CG1-CD1 4.2Å; Y83-I124 HydrophobicContact CD1-CG1 4.47Å; Y83-I124 HydrophobicContact CE1-CG1 4.28Å; V92-I124 HydrophobicContact CB-CD1 4.47Å; V92-I124 HydrophobicContact CB-CG2 4.15Å; V92-I124 HydrophobicContact CG1-CD1 3.58Å; V92-I124 HydrophobicContact CG1-CG1 3.98Å; V92-I124 HydrophobicContact CG1-CG2 4.24Å; V92-I124 HydrophobicContact CG2-CG2 3.89Å; I94-I124 HydrophobicContact CD1-CD1 3.7Å; I94-I124 HydrophobicContact CG1-CD1 4.05Å; I120-I124 HydrophobicContact CG2-CD1 3.53Å; I120-I124 HydrophobicContact CG2-CG1 4.23Å; I120-I124 PolarHBondContact O-N 2.78Å; I120-I124 VanDerWaalsContact O-N 3.16Å; I121-I124 HydrophobicContact CD1-CD1 4.38Å; I121-I124 WeakPolarHBondContact O-CB 3.42Å; I121-I124 PolarHBondContact O-N 3.43Å; I121-I124 VanDerWaalsContact O-N 3.09Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.87Å; I124-Y127 PolarHBondContact O-N 2.92Å; I124-S128 WeakPolarHBondContact O-CA 3.3Å; I124-S128 PolarHBondContact O-N 3.14Å; I124-I133 HydrophobicContact CG2-CD1 4.28Å; I124-I133 HydrophobicContact CG2-CG1 4.34Å
125V98.4Very high98.3Very high41 Ų4145.8 Ų45.825%0.24822%0.224CC..Hα-helixtrans-59.2-41.8-179.9173.40000111.6I121 N123 P129 S151 F153I121-V125 HydrophobicContact CG2-CG2 4.38Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 2.83Å; N123-V125 PolarHBondContact O-N 3.04Å; V125-P129 WeakPolarHBondContact O-CA 3.35Å; V125-S151 WeakPolarHBondContact CG2-O 3.48Å; V125-F153 HydrophobicContact CB-CE1 4.2Å; V125-F153 HydrophobicContact CB-CZ 4.48Å; V125-F153 HydrophobicContact CG1-CE1 3.88Å; V125-F153 HydrophobicContact CG2-CD1 4.23Å; V125-F153 HydrophobicContact CG2-CE1 3.71Å; V125-F153 HydrophobicContact CG2-CZ 3.98Å
126K98.5Very high98.4Very high140 Ų14042.8 Ų42.861%0.60921%0.208SC*.Hα-helixtrans-60.3-45.6179176.8-179.7176.3-179.30112.7P122 N123 I124P122-K126 WeakPolarHBondContact O-CB 3.45Å; P122-K126 PolarHBondContact O-N 2.79Å; N123-K126 PolarHBondContact O-N 3.07Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.87Å
127Y98.5Very high98.4Very high45 Ų4540.6 Ų40.618%0.17620%0.198CC..Hα-helixtrans-93.2-21.5-173.5-66.9-67.6000113.4K84 A87 N88 N123 I124K84-Y127 HydrophobicContact CB-CE1 4.36Å; K84-Y127 HydrophobicContact CG-CD1 4.28Å; K84-Y127 HydrophobicContact CG-CE1 3.49Å; K84-Y127 VanDerWaalsContact CG-CE1 3.49Å; A87-Y127 VanDerWaalsContact CA-O 3.31Å; A87-Y127 WeakPolarHBondContact CA-O 3.37Å; N88-Y127 PolarHBondContact N-O 3.21Å; N123-Y127 WeakPolarHBondContact O-CD2 3.47Å; N123-Y127 PolarHBondContact O-N 2.87Å; N123-Y127 VanDerWaalsContact O-N 3.14Å; I124-Y127 PolarHBondContact O-N 2.92Å
128S98.4Very high98.2Very high1 Ų144.8 Ų44.81%0.00722%0.22CC..  trans-138.763.8-176.3-780000112.4S86 N88 S89 I124 K130 C131S86-S128 PolarHBondContact O-OG 3.43Å; N88-S128 PolarHBondContact N-OG 3.46Å; S89-S128 PolarHBondContact N-OG 3.05Å; I124-S128 WeakPolarHBondContact O-CA 3.3Å; I124-S128 PolarHBondContact O-N 3.14Å; S128-K130 PolarHBondContact O-N 3.46Å; S128-C131 PolarHBondContact O-N 3.15Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 2.87Å
129P98Very high98Very high72 Ų7243 Ų4347%0.46822%0.215SC..THydrogen-bonded Turntrans-63.8-14.8-175.625.9-35.9000114.6V125 R157V125-P129 WeakPolarHBondContact O-CA 3.35Å; P129-R157 PolarHBondContact O-NH1 2.9Å; P129-R157 PolarHBondContact O-NH2 3.35Å
130K97.4Very high98Very high184 Ų18435.8 Ų35.880%0.818%0.184SC*.THydrogen-bonded Turntrans-102.1-3.8-179.2-62.4-177.3-178.5178.70114S128S128-K130 PolarHBondContact O-N 3.46Å
131C98.6Very high98Very high0 Ų035.6 Ų35.60%018%0.183CC..PPolyproline II helixtrans-72.4162.8-173.474.30000113S89 D90 V92 S128 F153S89-C131 WeakPolarHBondContact O-CB 3.43Å; D90-C131 CarbonylContact O-C 3.56Å; D90-C131 VanDerWaalsContact O-CA 3.27Å; D90-C131 WeakPolarHBondContact O-CA 3.26Å; V92-C131 HydrophobicContact CG2-CB 4.09Å; S128-C131 PolarHBondContact O-N 3.15Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 2.87Å; C131-F153 VanDerWaalsContact O-CE2 3.31Å; C131-F153 WeakPolarHBondContact O-CE2 3.46Å
132I98.8Very high97.9Very high11 Ų1135.6 Ų35.66%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-96.1130.2162-63.3169000108.1D90 I91 V92 R157 I159 L263D90-I132 PolarHBondContact O-N 3.02Å; I91-I132 CarbonylContact C-O 3.53Å; I91-I132 WeakPolarHBondContact CA-O 3.34Å; V92-I132 PolarHBondContact N-O 3.29Å; I132-R157 CarbonylContact C-O 3.54Å; I132-R157 WeakPolarHBondContact CA-O 3.32Å; I132-R157 HydrophobicContact CG1-CB 4.36Å; I132-I159 HydrophobicContact CG2-CD1 3.77Å; I132-I159 HydrophobicContact CG2-CG1 4.34Å; I132-L263 HydrophobicContact CD1-CD2 3.85Å; I132-L263 HydrophobicContact CG2-CD1 4.12Å; I132-L263 HydrophobicContact CG2-CD2 4.38Å
133I98.9Very high97.9Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-93.3125.1177.1-60.7175.9000108.5V92 I94 I121 I124 V135 F153 R157 V158 I159V92-I133 WeakPolarHBondContact O-CA 3.43Å; I94-I133 HydrophobicContact CD1-CG2 3.63Å; I94-I133 HydrophobicContact CG1-CG2 4.25Å; I121-I133 HydrophobicContact CD1-CD1 4.43Å; I124-I133 HydrophobicContact CG2-CD1 4.28Å; I124-I133 HydrophobicContact CG2-CG1 4.34Å; I133-V135 HydrophobicContact CG2-CG2 4.02Å; I133-F153 HydrophobicContact CD1-CD2 3.88Å; I133-F153 HydrophobicContact CD1-CE2 3.92Å; I133-F153 HydrophobicContact CG1-CD2 4.18Å; I133-F153 HydrophobicContact CG1-CE2 4.08Å; I133-R157 PolarHBondContact N-O 3.02Å; I133-V158 HydrophobicContact CB-CG1 4.49Å; I133-I159 PolarHBondContact O-N 3.07Å
134V98.9Very high97.9Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-110.6110.4173.4175.90000108.7I91 V92 V93 I94 V136 I159 T161 L259 L263I91-V134 HydrophobicContact CG2-CG2 3.81Å; V92-V134 PolarHBondContact O-N 3.43Å; V93-V134 CarbonylContact C-O 3.52Å; V93-V134 WeakPolarHBondContact CA-O 3.47Å; V93-V134 HydrophobicContact CG2-CB 4.32Å; I94-V134 PolarHBondContact N-O 3.02Å; V134-V136 HydrophobicContact CG1-CG2 4.36Å; V134-I159 CarbonylContact C-O 3.6Å; V134-I159 VanDerWaalsContact CA-O 3.3Å; V134-I159 WeakPolarHBondContact CA-O 3.44Å; V134-T161 HydrophobicContact CG1-CG2 4.09Å; V134-L259 HydrophobicContact CG1-CD2 3.69Å; V134-L259 HydrophobicContact CG2-CD2 4.05Å; V134-L263 HydrophobicContact CG2-CD1 3.98Å
135V98.9Very high97.9Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-90.5122.6178.7-175.40000109.6F117 I133 V140 L143 A147 I159 G160 T161F117-V135 HydrophobicContact CE1-CG1 4.04Å; F117-V135 HydrophobicContact CE1-CG2 4.39Å; F117-V135 HydrophobicContact CZ-CG1 3.99Å; I133-V135 HydrophobicContact CG2-CG2 4.02Å; V135-V140 HydrophobicContact CG1-CG2 4.36Å; V135-V140 VanDerWaalsContact O-CG2 3.27Å; V135-V140 WeakPolarHBondContact O-CG2 3.29Å; V135-L143 HydrophobicContact CG1-CB 3.97Å; V135-A147 HydrophobicContact CG2-CB 3.82Å; V135-I159 PolarHBondContact N-O 2.84Å; V135-G160 WeakPolarHBondContact O-CA 3.42Å; V135-T161 PolarHBondContact O-N 3.31Å
136V98.6Very high97.9Very high8 Ų829.3 Ų29.35%0.04814%0.143CC..  trans-111.5-28.1176.1-170.30000110.9V33 V93 I94 T95 V134 T161 I252V33-V136 HydrophobicContact CG1-CG1 3.81Å; V93-V136 HydrophobicContact CG1-CG2 3.52Å; I94-V136 WeakPolarHBondContact O-CA 3.46Å; I94-V136 WeakPolarHBondContact O-CB 3.47Å; I94-V136 PolarHBondContact O-N 3.05Å; T95-V136 HydrophobicContact CG2-CB 4.13Å; T95-V136 HydrophobicContact CG2-CG2 4.14Å; V134-V136 HydrophobicContact CG1-CG2 4.36Å; V136-T161 HydrophobicContact CB-CG2 4.44Å; V136-T161 HydrophobicContact CG1-CG2 4.5Å; V136-T161 HydrophobicContact CG2-CG2 3.86Å; V136-I252 HydrophobicContact CG1-CD1 3.86Å; V136-I252 HydrophobicContact CG1-CG1 3.56Å
137S97.6Very high97.9Very high7 Ų722.6 Ų22.65%0.04911%0.114CC..SBendtrans-56.1143.2-179.6-53.80000112I94 T95 A96 V140I94-S137 PolarHBondContact O-N 2.92Å; I94-S137 PolarHBondContact O-OG 2.99Å; T95-S137 VanDerWaalsContact C-OG 3.26Å; A96-S137 PolarHBondContact N-OG 3.44Å; A96-S137 WeakPolarHBondContact O-CB 3.44Å; A96-S137 PolarHBondContact O-OG 3.06Å; S137-V140 WeakPolarHBondContact O-CA 3.26Å; S137-V140 PolarHBondContact O-N 2.86Å
138N94.6Very high97.9Very high88 Ų8823.1 Ų23.147%0.47112%0.115SC..SBendtrans-100.3146.9-178.7-75.5-50.7000112.8V140 L143 H193N138-V140 PolarHBondContact OD1-N 3.26Å; N138-L143 WeakPolarHBondContact O-CD1 3.38Å; N138-H193 PolarHBondContact OD1-CD2 2.97Å
139P95Very high97.9Very high27 Ų2727.5 Ų27.518%0.17513%0.134CC..SBendcis-76.3118-0.927.3-29.8000112.3V110 D141 I142 L143V110-P139 HydrophobicContact CG2-CG 3.6Å; P139-D141 VanDerWaalsContact C-N 3.34Å; P139-D141 PolarHBondContact O-N 2.71Å; P139-I142 HydrophobicContact CB-CD1 4.31Å; P139-I142 HydrophobicContact CG-CB 4.29Å; P139-I142 HydrophobicContact CG-CD1 3.91Å; P139-I142 PolarHBondContact O-N 3.36Å; P139-L143 WeakPolarHBondContact O-CG 3.3Å; P139-L143 PolarHBondContact O-N 3.1Å
140V97.6Very high97.9Very high1 Ų126 Ų261%0.00612%0.122CC..Hα-helixtrans-62.5-38-163.664.10000113.2V135 S137 N138 L143 T144 H193V135-V140 HydrophobicContact CG1-CG2 4.36Å; V135-V140 VanDerWaalsContact O-CG2 3.27Å; V135-V140 WeakPolarHBondContact O-CG2 3.29Å; S137-V140 WeakPolarHBondContact O-CA 3.26Å; S137-V140 PolarHBondContact O-N 2.86Å; N138-V140 PolarHBondContact OD1-N 3.26Å; V140-L143 PolarHBondContact O-N 3.31Å; V140-T144 VanDerWaalsContact O-CB 3.3Å; V140-T144 WeakPolarHBondContact O-CB 3.26Å; V140-T144 PolarHBondContact O-N 2.85Å; V140-T144 PolarHBondContact O-OG1 3.25Å; V140-H193 HydrophobicContact CG1-CB 3.62Å
141D97.9Very high97.9Very high4 Ų417.8 Ų17.82%0.0219%0.087CC..Hα-helixtrans-64.1-47.4-179.1-60.4-59.4000111.9P139 T144 Y145 H193 S274 Y288 L323P139-D141 VanDerWaalsContact C-N 3.34Å; P139-D141 PolarHBondContact O-N 2.71Å; D141-T144 PolarHBondContact O-N 3.45Å; D141-Y145 PolarHBondContact O-N 2.96Å; D141-H193 PolarHBondContact OD2-N 3.07Å; D141-S274 WeakPolarHBondContact CA-OG 3.5Å; D141-S274 WeakPolarHBondContact OD1-CB 3.45Å; D141-S274 PolarHBondContact OD1-OG 2.93Å; D141-Y288 WeakPolarHBondContact CB-O 3.47Å; D141-Y288 WeakPolarHBondContact O-CB 3.37Å; D141-L323 HydrophobicContact CB-CD1 4Å; D141-L323 HydrophobicContact CB-CD2 4.18Å
142I97.1Very high97.9Very high1 Ų120.4 Ų20.41%0.00511%0.114CC..Hα-helixtrans-68.8-43.1178-59.5163.4000110.5V110 P139 T144 Y145 V146 L323 V326 I327 I330V110-I142 HydrophobicContact CG1-CG2 3.69Å; V110-I142 HydrophobicContact CG2-CD1 4.04Å; P139-I142 HydrophobicContact CB-CD1 4.31Å; P139-I142 HydrophobicContact CG-CB 4.29Å; P139-I142 HydrophobicContact CG-CD1 3.91Å; P139-I142 PolarHBondContact O-N 3.36Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 2.8Å; I142-Y145 WeakPolarHBondContact O-CB 3.44Å; I142-Y145 PolarHBondContact O-N 3.2Å; I142-V146 HydrophobicContact CG2-CG2 4.28Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 2.73Å; I142-L323 HydrophobicContact CD1-CD2 4.05Å; I142-L323 HydrophobicContact CG1-CD2 3.78Å; I142-V326 HydrophobicContact CD1-CB 3.91Å; I142-V326 HydrophobicContact CD1-CG1 3.47Å; I142-V326 VanDerWaalsContact CD1-CG1 3.47Å; I142-I327 HydrophobicContact CG1-CG1 4.44Å; I142-I327 HydrophobicContact CG2-CG1 4.31Å; I142-I330 HydrophobicContact CG2-CD1 4.37Å
143L98.1Very high97.9Very high0 Ų020.4 Ų20.40%011%0.114CC..Hα-helixtrans-69.9-23.7-179.4-64.9-175.4000112.9N113 F117 V135 N138 P139 V140 A147N113-L143 HydrophobicContact CB-CD1 3.86Å; N113-L143 HydrophobicContact CB-CD2 3.67Å; N113-L143 HydrophobicContact CB-CG 4.39Å; F117-L143 HydrophobicContact CE1-CB 3.88Å; F117-L143 WeakPolarHBondContact CE1-O 3.29Å; F117-L143 HydrophobicContact CE2-CD1 4.09Å; F117-L143 HydrophobicContact CZ-CB 3.94Å; F117-L143 HydrophobicContact CZ-CD1 4.06Å; F117-L143 HydrophobicContact CZ-CG 4.45Å; V135-L143 HydrophobicContact CG1-CB 3.97Å; N138-L143 WeakPolarHBondContact O-CD1 3.38Å; P139-L143 WeakPolarHBondContact O-CG 3.3Å; P139-L143 PolarHBondContact O-N 3.1Å; V140-L143 PolarHBondContact O-N 3.31Å; L143-A147 VanDerWaalsContact O-CB 3.28Å; L143-A147 WeakPolarHBondContact O-CB 3.46Å; L143-A147 PolarHBondContact O-N 3.2Å
144T98.6Very high97.8Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-70.6-44.8170.2-540000111V140 D141 I142 V146 A147 R148 V158 G160 Y288V140-T144 VanDerWaalsContact O-CB 3.3Å; V140-T144 WeakPolarHBondContact O-CB 3.26Å; V140-T144 PolarHBondContact O-N 2.85Å; V140-T144 PolarHBondContact O-OG1 3.25Å; D141-T144 PolarHBondContact O-N 3.45Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 2.8Å; T144-V146 VanDerWaalsContact C-N 3.33Å; T144-V146 PolarHBondContact O-N 2.88Å; T144-A147 PolarHBondContact O-N 3.41Å; T144-R148 PolarHBondContact O-N 3.35Å; T144-V158 HydrophobicContact CG2-CG1 4.04Å; T144-G160 WeakPolarHBondContact OG1-CA 3.31Å; T144-Y288 HydrophobicContact CG2-CD1 3.38Å; T144-Y288 HydrophobicContact CG2-CE1 3.54Å; T144-Y288 HydrophobicContact CG2-CG 4.39Å
145Y98.3Very high97.7Very high26 Ų2627.4 Ų27.410%0.10215%0.152CC..Hα-helixtrans-56.3-47.4171.1169.3-91.2000111.5D141 I142 R148 K149 D286 Y288 I327 I330 L332D141-Y145 PolarHBondContact O-N 2.96Å; I142-Y145 WeakPolarHBondContact O-CB 3.44Å; I142-Y145 PolarHBondContact O-N 3.2Å; Y145-R148 WeakPolarHBondContact O-CB 3.3Å; Y145-R148 PolarHBondContact O-N 2.9Å; Y145-K149 HydrophobicContact CD1-CG 4.4Å; Y145-K149 HydrophobicContact CE1-CG 4Å; Y145-K149 HydrophobicContact CE2-CD 4.39Å; Y145-K149 HydrophobicContact CE2-CG 4.21Å; Y145-K149 WeakPolarHBondContact O-CG 3.09Å; Y145-K149 PolarHBondContact O-N 2.84Å; Y145-K149 VanDerWaalsContact OH-CE 3.27Å; Y145-K149 WeakPolarHBondContact OH-CE 3.31Å; Y145-D286 WeakPolarHBondContact CE2-O 3.29Å; Y145-Y288 HydrophobicContact CD2-CD2 4.08Å; Y145-Y288 HydrophobicContact CD2-CE2 4.34Å; Y145-Y288 HydrophobicContact CG-CD2 4.47Å; Y145-I327 HydrophobicContact CD1-CD1 4.3Å; Y145-I327 HydrophobicContact CD1-CG1 4.22Å; Y145-I327 HydrophobicContact CD1-CG2 4.11Å; Y145-I327 HydrophobicContact CD2-CD1 4.4Å; Y145-I327 HydrophobicContact CE1-CG1 4.46Å; Y145-I327 HydrophobicContact CE1-CG2 3.52Å; Y145-I327 HydrophobicContact CE2-CG2 4.29Å; Y145-I327 HydrophobicContact CG-CD1 4.14Å; Y145-I330 HydrophobicContact CE1-CD1 4.42Å; Y145-L332 HydrophobicContact CE1-CD1 4.08Å
146V98.3Very high97.7Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-61.5-47178.2172.80000111.1V114 F117 I142 T144 R148 K149 L150 I330 L332V114-V146 HydrophobicContact CG1-CG1 4.24Å; V114-V146 HydrophobicContact CG2-CG1 4.23Å; V114-V146 HydrophobicContact CG2-CG2 3.74Å; F117-V146 HydrophobicContact CB-CG1 4.05Å; F117-V146 HydrophobicContact CD1-CG1 4.36Å; I142-V146 HydrophobicContact CG2-CG2 4.28Å; I142-V146 WeakPolarHBondContact O-CG2 3.39Å; I142-V146 PolarHBondContact O-N 2.73Å; T144-V146 VanDerWaalsContact C-N 3.33Å; T144-V146 PolarHBondContact O-N 2.88Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 2.81Å; V146-K149 PolarHBondContact O-N 3.11Å; V146-L150 HydrophobicContact CG1-CD1 3.59Å; V146-L150 HydrophobicContact CG1-CG 4.17Å; V146-L150 WeakPolarHBondContact O-CB 3.1Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.19Å; V146-I330 HydrophobicContact CG2-CD1 3.65Å; V146-L332 HydrophobicContact CB-CD2 4.28Å; V146-L332 HydrophobicContact CG1-CD2 4.01Å; V146-L332 HydrophobicContact CG2-CD2 3.94Å
147A98.6Very high97.7Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-58.9-39.1176.100000112F117 I121 V135 L143 T144 S151 V158F117-A147 HydrophobicContact CD1-CB 4.16Å; F117-A147 HydrophobicContact CE1-CB 4.13Å; I121-A147 HydrophobicContact CD1-CB 3.73Å; I121-A147 HydrophobicContact CG1-CB 4.4Å; V135-A147 HydrophobicContact CG2-CB 3.82Å; L143-A147 VanDerWaalsContact O-CB 3.28Å; L143-A147 WeakPolarHBondContact O-CB 3.46Å; L143-A147 PolarHBondContact O-N 3.2Å; T144-A147 PolarHBondContact O-N 3.41Å; A147-S151 WeakPolarHBondContact O-CB 3.49Å; A147-S151 PolarHBondContact O-N 3.36Å; A147-S151 PolarHBondContact O-OG 3.33Å; A147-V158 HydrophobicContact CB-CG1 3.88Å
148R98.2Very high97.8Very high55 Ų5532.7 Ų32.721%0.20817%0.173CC..Hα-helixtrans-63.8-45.2176170.363.9-178.897.9-13112.1T144 Y145 V146 S151 G152 F153 V158 Y288T144-R148 PolarHBondContact O-N 3.35Å; Y145-R148 WeakPolarHBondContact O-CB 3.3Å; Y145-R148 PolarHBondContact O-N 2.9Å; V146-R148 VanDerWaalsContact C-N 3.28Å; V146-R148 PolarHBondContact O-N 2.81Å; R148-S151 PolarHBondContact O-OG 3.2Å; R148-G152 PolarHBondContact O-N 2.89Å; R148-F153 WeakPolarHBondContact CD-O 2.92Å; R148-F153 PolarHBondContact NE-O 3.22Å; R148-F153 PolarHBondContact NH1-O 3.18Å; R148-F153 PolarHBondContact NH2-O 3.36Å; R148-V158 HydrophobicContact CB-CB 4.26Å; R148-V158 HydrophobicContact CB-CG1 4.13Å; R148-V158 HydrophobicContact CB-CG2 4.47Å; R148-Y288 HydrophobicContact CB-CE2 4.44Å; R148-Y288 HydrophobicContact CG-CE2 4.47Å; R148-Y288 VanDerWaalsContact CG-OH 3.27Å; R148-Y288 WeakPolarHBondContact CG-OH 3.21Å
149K97.8Very high97.9Very high93 Ų9328.5 Ų28.540%0.40415%0.15SC..Hα-helixtrans-67.5-45.7179.9-65.8-66-178.2-178.40111.3Y145 V146 D286 L332Y145-K149 HydrophobicContact CD1-CG 4.4Å; Y145-K149 HydrophobicContact CE1-CG 4Å; Y145-K149 HydrophobicContact CE2-CD 4.39Å; Y145-K149 HydrophobicContact CE2-CG 4.21Å; Y145-K149 WeakPolarHBondContact O-CG 3.09Å; Y145-K149 PolarHBondContact O-N 2.84Å; Y145-K149 VanDerWaalsContact OH-CE 3.27Å; Y145-K149 WeakPolarHBondContact OH-CE 3.31Å; V146-K149 PolarHBondContact O-N 3.11Å; K149-D286 WeakPolarHBondContact CE-OD2 3.49Å; K149-D286 IonicContact NZ-OD2 3.06Å; K149-D286 PolarHBondContact NZ-OD2 3.36Å; K149-L332 HydrophobicContact CB-CD1 3.97Å; K149-L332 HydrophobicContact CG-CD1 3.94Å
150L98.3Very high98.1Very high42 Ų4227.2 Ų27.222%0.2214%0.142CC..Hα-helixtrans-71.7-30.3-178.7-67176000113.7F117 K118 I121 V146F117-L150 HydrophobicContact CB-CD1 3.94Å; K118-L150 HydrophobicContact CG-CD1 4.08Å; K118-L150 HydrophobicContact CG-CD2 4.1Å; I121-L150 HydrophobicContact CB-CB 3.95Å; I121-L150 HydrophobicContact CB-CD1 4.45Å; I121-L150 HydrophobicContact CG1-CB 4.36Å; I121-L150 HydrophobicContact CG1-CD1 4.32Å; I121-L150 HydrophobicContact CG2-CB 3.72Å; V146-L150 HydrophobicContact CG1-CD1 3.59Å; V146-L150 HydrophobicContact CG1-CG 4.17Å; V146-L150 WeakPolarHBondContact O-CB 3.1Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.19Å
151S98.2Very high98.2Very high10 Ų1027.5 Ų27.57%0.0714%0.143CC..Hα-helixtrans-81.7-27.4-17859.70000113.7V125 A147 R148 F153V125-S151 WeakPolarHBondContact CG2-O 3.48Å; A147-S151 WeakPolarHBondContact O-CB 3.49Å; A147-S151 PolarHBondContact O-N 3.36Å; A147-S151 PolarHBondContact O-OG 3.33Å; R148-S151 PolarHBondContact O-OG 3.2Å; S151-F153 WeakPolarHBondContact O-CD1 3.27Å; S151-F153 PolarHBondContact O-N 3.45Å; S151-F153 VanDerWaalsContact O-N 3.14Å; S151-F153 PolarHBondContact OG-N 2.91Å
152G97.6Very high98.2Very high55 Ų5527.4 Ų27.457%0.56714%0.144SC*.  trans66.92.3-169.400000114.3R148R148-G152 PolarHBondContact O-N 2.89Å
153F98.4Very high98.2Very high12 Ų1227.4 Ų27.45%0.05314%0.144CC..  trans-68.9144.5-179.1-76.45.2000111.9V125 C131 I133 R148 S151 R157 V158V125-F153 HydrophobicContact CB-CE1 4.2Å; V125-F153 HydrophobicContact CB-CZ 4.48Å; V125-F153 HydrophobicContact CG1-CE1 3.88Å; V125-F153 HydrophobicContact CG2-CD1 4.23Å; V125-F153 HydrophobicContact CG2-CE1 3.71Å; V125-F153 HydrophobicContact CG2-CZ 3.98Å; C131-F153 VanDerWaalsContact O-CE2 3.31Å; C131-F153 WeakPolarHBondContact O-CE2 3.46Å; I133-F153 HydrophobicContact CD1-CD2 3.88Å; I133-F153 HydrophobicContact CD1-CE2 3.92Å; I133-F153 HydrophobicContact CG1-CD2 4.18Å; I133-F153 HydrophobicContact CG1-CE2 4.08Å; R148-F153 WeakPolarHBondContact CD-O 2.92Å; R148-F153 PolarHBondContact NE-O 3.22Å; R148-F153 PolarHBondContact NH1-O 3.18Å; R148-F153 PolarHBondContact NH2-O 3.36Å; S151-F153 WeakPolarHBondContact O-CD1 3.27Å; S151-F153 PolarHBondContact O-N 3.45Å; S151-F153 VanDerWaalsContact O-N 3.14Å; S151-F153 PolarHBondContact OG-N 2.91Å; F153-R157 HydrophobicContact CD2-CB 4.44Å; F153-R157 VanDerWaalsContact CE2-NH2 3.3Å; F153-V158 HydrophobicContact CB-CG2 3.89Å; F153-V158 HydrophobicContact CD2-CG2 4.44Å
154E97.8Very high98.3Very high119 Ų11928.1 Ų28.156%0.55615%0.147SC*.  trans-50.5143.9169.5-67.7-56.2140.800112.9H156 R157E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 WeakPolarHBondContact CB-CE1 3.43Å; E154-H156 WeakPolarHBondContact CB-ND1 3.39Å; E154-H156 PolarHBondContact O-N 2.86Å; E154-H156 VanDerWaalsContact O-N 3.14Å; E154-R157 PolarHBondContact O-N 3.38Å
155A97.1Very high98.3Very high28 Ų2829.1 Ų29.123%0.23115%0.152CC..G310 helixtrans-61.8-32-166.100000114.1R157 V158 P276A155-R157 PolarHBondContact O-N 2.87Å; A155-R157 VanDerWaalsContact O-N 3.1Å; A155-V158 PolarHBondContact O-N 3.3Å; A155-V158 VanDerWaalsContact O-N 3.17Å; A155-P276 HydrophobicContact CB-CG 3.92Å
156H98.2Very high98.2Very high73 Ų7328.1 Ų28.134%0.33815%0.149SC..G310 helixtrans-60.6-17.9176.369.7-70.1000114.3E154 S298 G299 I300E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 WeakPolarHBondContact CB-CE1 3.43Å; E154-H156 WeakPolarHBondContact CB-ND1 3.39Å; E154-H156 PolarHBondContact O-N 2.86Å; E154-H156 VanDerWaalsContact O-N 3.14Å; H156-S298 PolarHBondContact CD2-O 3.42Å; H156-G299 WeakPolarHBondContact O-CA 3.45Å; H156-I300 VanDerWaalsContact CB-O 3.25Å; H156-I300 WeakPolarHBondContact CB-O 3.39Å; H156-I300 PolarHBondContact O-N 3.33Å
157R98.5Very high98.2Very high53 Ų5328.3 Ų28.320%0.215%0.15CC..G310 helixtrans-100.13.2-180-49.5-165.5-43.1-171.712.9114.2P129 I132 I133 F153 E154 A155P129-R157 PolarHBondContact O-NH1 2.9Å; P129-R157 PolarHBondContact O-NH2 3.35Å; I132-R157 CarbonylContact C-O 3.54Å; I132-R157 WeakPolarHBondContact CA-O 3.32Å; I132-R157 HydrophobicContact CG1-CB 4.36Å; I133-R157 PolarHBondContact N-O 3.02Å; F153-R157 HydrophobicContact CD2-CB 4.44Å; F153-R157 VanDerWaalsContact CE2-NH2 3.3Å; E154-R157 PolarHBondContact O-N 3.38Å; A155-R157 PolarHBondContact O-N 2.87Å; A155-R157 VanDerWaalsContact O-N 3.1Å
158V98.7Very high98.2Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-125.4108.1178.3-173.50000108.7I133 T144 A147 R148 F153 A155I133-V158 HydrophobicContact CB-CG1 4.49Å; T144-V158 HydrophobicContact CG2-CG1 4.04Å; A147-V158 HydrophobicContact CB-CG1 3.88Å; R148-V158 HydrophobicContact CB-CB 4.26Å; R148-V158 HydrophobicContact CB-CG1 4.13Å; R148-V158 HydrophobicContact CB-CG2 4.47Å; F153-V158 HydrophobicContact CB-CG2 3.89Å; F153-V158 HydrophobicContact CD2-CG2 4.44Å; A155-V158 PolarHBondContact O-N 3.3Å; A155-V158 VanDerWaalsContact O-N 3.17Å
159I98.7Very high98.2Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-125.9130.8-165.8-53.2174.6000108.3I132 I133 V134 V135 L259 L263 L273 I300I132-I159 HydrophobicContact CG2-CD1 3.77Å; I132-I159 HydrophobicContact CG2-CG1 4.34Å; I133-I159 PolarHBondContact O-N 3.07Å; V134-I159 CarbonylContact C-O 3.6Å; V134-I159 VanDerWaalsContact CA-O 3.3Å; V134-I159 WeakPolarHBondContact CA-O 3.44Å; V135-I159 PolarHBondContact N-O 2.84Å; I159-L259 HydrophobicContact CG2-CD2 4.39Å; I159-L263 HydrophobicContact CD1-CD2 4.23Å; I159-L273 HydrophobicContact CG2-CB 4.01Å; I159-L273 HydrophobicContact CG2-CD1 3.83Å; I159-L273 HydrophobicContact CG2-CD2 4.23Å; I159-L273 HydrophobicContact CG2-CG 4.25Å; I159-I300 HydrophobicContact CD1-CD1 3.6Å; I159-I300 HydrophobicContact CD1-CG1 3.83Å; I159-I300 HydrophobicContact CG1-CD1 3.93Å; I159-I300 HydrophobicContact CG1-CG1 3.79Å; I159-I300 HydrophobicContact CG2-CD1 4.13Å
160G98.8Very high98.2Very high0 Ų025 Ų250%015%0.146CC..EExtended strand (participates in β ladder)trans-95.3145.1167.200000111V135 T144 G162 S274V135-G160 WeakPolarHBondContact O-CA 3.42Å; T144-G160 WeakPolarHBondContact OG1-CA 3.31Å; G160-G162 PolarHBondContact O-N 3.07Å; G160-G162 VanDerWaalsContact O-N 3.16Å; G160-S274 PolarHBondContact N-O 3.41Å; G160-S274 PolarHBondContact O-N 3.03Å
161T98.6Very high98.2Very high6 Ų626.2 Ų26.24%0.03715%0.148CC..  trans-60.1-25.7174.853.50000112.6V134 V135 V136 T163 M164 I252V134-T161 HydrophobicContact CG1-CG2 4.09Å; V135-T161 PolarHBondContact O-N 3.31Å; V136-T161 HydrophobicContact CB-CG2 4.44Å; V136-T161 HydrophobicContact CG1-CG2 4.5Å; V136-T161 HydrophobicContact CG2-CG2 3.86Å; T161-T163 PolarHBondContact O-N 2.83Å; T161-M164 WeakPolarHBondContact O-CB 3.46Å; T161-M164 PolarHBondContact O-N 3.08Å; T161-M164 VanDerWaalsContact O-N 3.12Å; T161-I252 HydrophobicContact CG2-CD1 4.48Å
162G98.1Very high98.2Very high3 Ų331 Ų313%0.03117%0.167CC..THydrogen-bonded Turntrans51-134.8171.500000112.6G160 M164 S290G160-G162 PolarHBondContact O-N 3.07Å; G160-G162 VanDerWaalsContact O-N 3.16Å; G162-M164 VanDerWaalsContact C-N 3.31Å; G162-M164 PolarHBondContact O-N 2.61Å; G162-S290 WeakPolarHBondContact CA-OG 3.33Å
163T98.3Very high98.2Very high0 Ų029.9 Ų29.90%015%0.148CC..THydrogen-bonded Turntrans-8918-179.759.60000113.8T161 L165 D166 S167 V189 H193 S290T161-T163 PolarHBondContact O-N 2.83Å; T163-L165 PolarHBondContact O-N 2.94Å; T163-D166 PolarHBondContact O-N 3.21Å; T163-S167 WeakPolarHBondContact O-CB 3.26Å; T163-S167 PolarHBondContact O-N 3.02Å; T163-S167 PolarHBondContact O-OG 3.16Å; T163-V189 WeakPolarHBondContact CB-O 3.31Å; T163-V189 HydrophobicContact CG2-CG1 4.15Å; T163-V189 PolarHBondContact OG1-O 3.11Å; T163-H193 HydrophobicContact CG2-CB 4.48Å; T163-S290 PolarHBondContact N-OG 3.07Å; T163-S290 WeakPolarHBondContact OG1-CB 3.3Å; T163-S290 PolarHBondContact OG1-OG 3.2Å
164M98.6Very high98.2Very high15 Ų1529.3 Ų29.37%0.07415%0.146CC..Hα-helixtrans-59.6-45.4177.5-174.3176.9168.400111.9T161 G162 A168 T255 L259 Y271 P272 L273T161-M164 WeakPolarHBondContact O-CB 3.46Å; T161-M164 PolarHBondContact O-N 3.08Å; T161-M164 VanDerWaalsContact O-N 3.12Å; G162-M164 VanDerWaalsContact C-N 3.31Å; G162-M164 PolarHBondContact O-N 2.61Å; M164-A168 PolarHBondContact O-N 3.19Å; M164-A168 VanDerWaalsContact O-N 3.14Å; M164-T255 HydrophobicContact CB-CG2 3.96Å; M164-T255 HydrophobicContact CE-CG2 4.12Å; M164-T255 HydrophobicContact CG-CG2 3.75Å; M164-T255 HydrophobicContact SD-CG2 3.61Å; M164-L259 HydrophobicContact SD-CB 4.3Å; M164-Y271 HydrophobicContact CE-CD1 3.48Å; M164-Y271 VanDerWaalsContact CE-CD1 3.48Å; M164-Y271 HydrophobicContact CE-CD2 4.33Å; M164-Y271 HydrophobicContact CE-CE1 3.47Å; M164-Y271 VanDerWaalsContact CE-CE1 3.47Å; M164-Y271 HydrophobicContact CE-CE2 4.31Å; M164-Y271 HydrophobicContact CE-CG 3.93Å; M164-Y271 HydrophobicContact CG-CD1 4.34Å; M164-Y271 HydrophobicContact SD-CD1 4.01Å; M164-Y271 HydrophobicContact SD-CD2 4.47Å; M164-Y271 HydrophobicContact SD-CG 3.96Å; M164-P272 WeakPolarHBondContact CA-O 3.31Å; M164-P272 PolarHBondContact N-O 3.44Å; M164-P272 VanDerWaalsContact N-O 3.09Å; M164-L273 HydrophobicContact CB-CD2 4.22Å; M164-L273 HydrophobicContact SD-CD2 4.06Å
165L98.2Very high98.2Very high21 Ų2123.7 Ų23.711%0.1112%0.12CC..Hα-helixtrans-70.6-37.9176.3176.657.8000111.8T163 S167 A168 R169 A251 I252T163-L165 PolarHBondContact O-N 2.94Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.63Å; L165-A168 WeakPolarHBondContact O-CB 3.3Å; L165-A168 PolarHBondContact O-N 2.88Å; L165-A168 VanDerWaalsContact O-N 3.16Å; L165-R169 HydrophobicContact CD1-CG 4.43Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 3.33Å; L165-A251 HydrophobicContact CD1-CB 3.62Å; L165-A251 HydrophobicContact CD2-CB 4.4Å; L165-I252 HydrophobicContact CD2-CB 4.09Å; L165-I252 HydrophobicContact CD2-CD1 4.38Å
166D97.9Very high98.2Very high5 Ų528.7 Ų28.73%0.02714%0.139CC..Hα-helixtrans-64.5-41178.9-62.1-17.9000111T163 A168 R169 F170 V189 H193 V234T163-D166 PolarHBondContact O-N 3.21Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.24Å; D166-R169 PolarHBondContact O-N 3.09Å; D166-R169 IonicContact OD1-NH1 3.69Å; D166-F170 VanDerWaalsContact O-CB 3.3Å; D166-F170 WeakPolarHBondContact O-CB 3.25Å; D166-F170 PolarHBondContact O-N 3.12Å; D166-V189 HydrophobicContact CB-CB 4.19Å; D166-V189 HydrophobicContact CB-CG1 4.1Å; D166-H193 IonicContact OD1-CE1 3.53Å; D166-H193 PolarHBondContact OD1-CE1 2.93Å; D166-H193 IonicContact OD1-ND1 3.49Å; D166-H193 IonicContact OD2-CE1 2.63Å; D166-H193 PolarHBondContact OD2-CE1 3.14Å; D166-H193 IonicContact OD2-CG 2.7Å; D166-H193 IonicContact OD2-ND1 3.34Å; D166-H193 PolarHBondContact OD2-ND1 3.38Å; D166-V234 HydrophobicContact CB-CG1 3.79Å; D166-V234 WeakPolarHBondContact O-CG1 3.48Å
167S98.4Very high98.2Very high4 Ų429.2 Ų29.23%0.02814%0.14CC..Hα-helixtrans-64.8-36.4173.4-62.20000112.1T163 L165 F170 R171 V189 P272T163-S167 WeakPolarHBondContact O-CB 3.26Å; T163-S167 PolarHBondContact O-N 3.02Å; T163-S167 PolarHBondContact O-OG 3.16Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.63Å; S167-F170 PolarHBondContact O-N 3.44Å; S167-R171 WeakPolarHBondContact O-CB 3.47Å; S167-R171 WeakPolarHBondContact O-CG 3.41Å; S167-R171 PolarHBondContact O-N 2.92Å; S167-V189 PolarHBondContact OG-N 3.12Å; S167-V189 PolarHBondContact OG-O 3.46Å; S167-V189 VanDerWaalsContact OG-O 3.09Å; S167-P272 VanDerWaalsContact OG-CG 3.26Å; S167-P272 WeakPolarHBondContact OG-CG 3.09Å
168A98.2Very high98Very high50 Ų5029.8 Ų29.841%0.41315%0.147SC..Hα-helixtrans-65.1-42.7173.900000112M164 L165 D166 R171 F172M164-A168 PolarHBondContact O-N 3.19Å; M164-A168 VanDerWaalsContact O-N 3.14Å; L165-A168 WeakPolarHBondContact O-CB 3.3Å; L165-A168 PolarHBondContact O-N 2.88Å; L165-A168 VanDerWaalsContact O-N 3.16Å; D166-A168 VanDerWaalsContact C-N 3.33Å; D166-A168 PolarHBondContact O-N 3.24Å; A168-R171 PolarHBondContact O-N 3.29Å; A168-F172 WeakPolarHBondContact O-CB 3.29Å; A168-F172 PolarHBondContact O-N 3.22Å
169R97.9Very high98Very high28 Ų2833.1 Ų33.111%0.10618%0.18CC..Hα-helixtrans-63.1-43.1173.7-71.9169.9171.2161.7-6.3111.8L165 D166 R171 F172 L173 V234L165-R169 HydrophobicContact CD1-CG 4.43Å; L165-R169 WeakPolarHBondContact O-CG 3.46Å; L165-R169 PolarHBondContact O-N 3.33Å; D166-R169 PolarHBondContact O-N 3.09Å; D166-R169 IonicContact OD1-NH1 3.69Å; R169-R171 PolarHBondContact O-N 2.92Å; R169-F172 WeakPolarHBondContact O-CB 3.25Å; R169-F172 PolarHBondContact O-N 3.45Å; R169-L173 WeakPolarHBondContact O-CG 3.35Å; R169-L173 PolarHBondContact O-N 3.26Å; R169-V234 HydrophobicContact CB-CG1 4.21Å; R169-V234 HydrophobicContact CB-CG2 4.13Å
170F98.2Very high97.9Very high0 Ų035.6 Ų35.60%020%0.196CC..Hα-helixtrans-58.7-48.6177.6-174.6-120.2000111.6D166 S167 F172 L173 L174 V189 A199 W201 V204 I230 V234D166-F170 VanDerWaalsContact O-CB 3.3Å; D166-F170 WeakPolarHBondContact O-CB 3.25Å; D166-F170 PolarHBondContact O-N 3.12Å; S167-F170 PolarHBondContact O-N 3.44Å; F170-F172 VanDerWaalsContact C-N 3.34Å; F170-F172 PolarHBondContact O-N 3.2Å; F170-L173 PolarHBondContact O-N 3.12Å; F170-L174 HydrophobicContact CD1-CD1 3.8Å; F170-L174 HydrophobicContact CD2-CD1 4.35Å; F170-L174 HydrophobicContact CE1-CD1 3.48Å; F170-L174 VanDerWaalsContact CE1-CD1 3.48Å; F170-L174 HydrophobicContact CE2-CD1 4.06Å; F170-L174 HydrophobicContact CE2-CG 4.46Å; F170-L174 HydrophobicContact CG-CD1 4.22Å; F170-L174 HydrophobicContact CZ-CD1 3.62Å; F170-L174 HydrophobicContact CZ-CG 4.43Å; F170-L174 WeakPolarHBondContact O-CB 3.16Å; F170-L174 WeakPolarHBondContact O-CG 3.17Å; F170-L174 PolarHBondContact O-N 3.5Å; F170-V189 HydrophobicContact CB-CG2 3.76Å; F170-V189 HydrophobicContact CD1-CG2 4.16Å; F170-V189 HydrophobicContact CD2-CG2 4.3Å; F170-V189 HydrophobicContact CG-CG2 3.83Å; F170-A199 HydrophobicContact CE2-CB 4.1Å; F170-A199 HydrophobicContact CZ-CB 4.05Å; F170-W201 AromaticContact CE2-CH2 3.49Å; F170-W201 HydrophobicContact CE2-CH2 3.49Å; F170-W201 VanDerWaalsContact CE2-CH2 3.49Å; F170-W201 AromaticContact CE2-CZ2 3.68Å; F170-W201 HydrophobicContact CE2-CZ2 3.68Å; F170-W201 HydrophobicContact CE2-CZ3 4.08Å; F170-W201 HydrophobicContact CZ-CD2 4.32Å; F170-W201 HydrophobicContact CZ-CE3 4.04Å; F170-W201 AromaticContact CZ-CH2 3.58Å; F170-W201 HydrophobicContact CZ-CH2 3.58Å; F170-W201 AromaticContact CZ-CZ2 3.89Å; F170-W201 HydrophobicContact CZ-CZ2 3.89Å; F170-W201 AromaticContact CZ-CZ3 3.68Å; F170-W201 HydrophobicContact CZ-CZ3 3.68Å; F170-V204 HydrophobicContact CE1-CG2 3.75Å; F170-V204 HydrophobicContact CZ-CG2 4.02Å; F170-I230 HydrophobicContact CD2-CG2 3.69Å; F170-I230 HydrophobicContact CE2-CG2 3.82Å; F170-V234 VanDerWaalsContact CA-CG2 3.48Å; F170-V234 HydrophobicContact CB-CG2 3.82Å; F170-V234 HydrophobicContact CD2-CG2 4.07Å; F170-V234 HydrophobicContact CG-CG2 4.47Å
171R98.4Very high97.9Very high69 Ų6938.8 Ų38.826%0.2622%0.218SC..Hα-helixtrans-64.3-36.4176.3-68.7169.966.5-170.44.6112.8S167 A168 R169 G175 A182 N183 V185S167-R171 WeakPolarHBondContact O-CB 3.47Å; S167-R171 WeakPolarHBondContact O-CG 3.41Å; S167-R171 PolarHBondContact O-N 2.92Å; A168-R171 PolarHBondContact O-N 3.29Å; R169-R171 PolarHBondContact O-N 2.92Å; R171-G175 PolarHBondContact O-N 2.77Å; R171-A182 HydrophobicContact CB-CB 4.38Å; R171-A182 PolarHBondContact NE-O 2.59Å; R171-A182 VanDerWaalsContact NE-O 3.16Å; R171-A182 PolarHBondContact NH2-O 2.77Å; R171-N183 PolarHBondContact NH2-O 3.47Å; R171-V185 HydrophobicContact CB-CB 4.47Å; R171-V185 HydrophobicContact CG-CG1 4.49Å; R171-V185 PolarHBondContact NE-O 3.26Å; R171-V185 PolarHBondContact NH2-O 2.99Å; R171-V185 VanDerWaalsContact NH2-O 3.16Å
172F98.4Very high97.9Very high110 Ų11040 Ų4048%0.48223%0.228SC..Hα-helixtrans-62-53.8174.2169-101.9000111.7A168 R169 F170 L174 G175 E176 A182A168-F172 WeakPolarHBondContact O-CB 3.29Å; A168-F172 PolarHBondContact O-N 3.22Å; R169-F172 WeakPolarHBondContact O-CB 3.25Å; R169-F172 PolarHBondContact O-N 3.45Å; F170-F172 VanDerWaalsContact C-N 3.34Å; F170-F172 PolarHBondContact O-N 3.2Å; F172-L174 VanDerWaalsContact C-N 3.35Å; F172-L174 PolarHBondContact O-N 2.9Å; F172-G175 WeakPolarHBondContact O-CA 3.39Å; F172-G175 PolarHBondContact O-N 3.47Å; F172-E176 HydrophobicContact CD2-CG 4.32Å; F172-E176 HydrophobicContact CE1-CG 4.1Å; F172-E176 HydrophobicContact CE2-CG 3.79Å; F172-E176 HydrophobicContact CZ-CG 3.67Å; F172-E176 PolarHBondContact O-N 3.49Å; F172-A182 HydrophobicContact CB-CB 4.46Å
173L97.9Very high97.8Very high31 Ų3145.8 Ų45.816%0.16226%0.258CS..Hα-helixtrans-64.2-38.4-178.4-67.6172.9000112.5R169 F170 K177 I230 Q233 V234R169-L173 WeakPolarHBondContact O-CG 3.35Å; R169-L173 PolarHBondContact O-N 3.26Å; F170-L173 PolarHBondContact O-N 3.12Å; L173-K177 WeakPolarHBondContact O-CB 3.47Å; L173-K177 PolarHBondContact O-N 3.21Å; L173-I230 HydrophobicContact CB-CG2 3.67Å; L173-I230 HydrophobicContact CD1-CG2 4.19Å; L173-Q233 HydrophobicContact CD1-CB 3.67Å; L173-V234 HydrophobicContact CD1-CG2 3.87Å
174L97.5Very high97.8Very high0 Ų048.5 Ų48.50%028%0.278CS..Hα-helixtrans-62.7-42.2170.7-79.2168.4000111.9F170 F172 K177 L178 V185 W201 V204 L211 F227 I230F170-L174 HydrophobicContact CD1-CD1 3.8Å; F170-L174 HydrophobicContact CD2-CD1 4.35Å; F170-L174 HydrophobicContact CE1-CD1 3.48Å; F170-L174 VanDerWaalsContact CE1-CD1 3.48Å; F170-L174 HydrophobicContact CE2-CD1 4.06Å; F170-L174 HydrophobicContact CE2-CG 4.46Å; F170-L174 HydrophobicContact CG-CD1 4.22Å; F170-L174 HydrophobicContact CZ-CD1 3.62Å; F170-L174 HydrophobicContact CZ-CG 4.43Å; F170-L174 WeakPolarHBondContact O-CB 3.16Å; F170-L174 WeakPolarHBondContact O-CG 3.17Å; F170-L174 PolarHBondContact O-N 3.5Å; F172-L174 VanDerWaalsContact C-N 3.35Å; F172-L174 PolarHBondContact O-N 2.9Å; L174-K177 PolarHBondContact O-N 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.2Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.35Å; L174-L178 PolarHBondContact O-N 3.43Å; L174-V185 HydrophobicContact CB-CG1 3.72Å; L174-V185 HydrophobicContact CB-CG2 4.39Å; L174-V185 HydrophobicContact CD1-CG1 3.77Å; L174-V185 HydrophobicContact CG-CG1 4.39Å; L174-W201 HydrophobicContact CD2-CH2 4.41Å; L174-W201 HydrophobicContact CD2-CZ3 4.09Å; L174-V204 HydrophobicContact CD1-CG1 3.8Å; L174-L211 HydrophobicContact CD2-CD1 4.46Å; L174-F227 HydrophobicContact CD2-CD1 3.76Å; L174-F227 HydrophobicContact CD2-CE1 3.86Å; L174-I230 HydrophobicContact CD2-CD1 3.67Å; L174-I230 HydrophobicContact CG-CD1 4.22Å; L174-I230 HydrophobicContact CG-CG2 4.34Å
175G98Very high97.8Very high2 Ų247.8 Ų47.82%0.02127%0.274CS..Hα-helixtrans-60.3-47.1177.200000112.2R171 F172 K177 L178 G179 V180R171-G175 PolarHBondContact O-N 2.77Å; F172-G175 WeakPolarHBondContact O-CA 3.39Å; F172-G175 PolarHBondContact O-N 3.47Å; G175-K177 VanDerWaalsContact C-N 3.34Å; G175-K177 PolarHBondContact O-N 2.83Å; G175-L178 PolarHBondContact O-N 3.32Å; G175-G179 WeakPolarHBondContact O-CA 3.43Å; G175-G179 PolarHBondContact O-N 2.98Å; G175-V180 CarbonylContact C-O 3.5Å; G175-V180 VanDerWaalsContact C-O 3.23Å; G175-V180 WeakPolarHBondContact CA-O 3.48Å; G175-V180 PolarHBondContact O-N 2.99Å; G175-V180 VanDerWaalsContact O-O 3.1Å
176E97.7Very high97.8Very high133 Ų13350.8 Ų50.862%0.62129%0.288SS*.Hα-helixtrans-59.1-43.8175.2-69.7-64.9113.200111.7F172F172-E176 HydrophobicContact CD2-CG 4.32Å; F172-E176 HydrophobicContact CE1-CG 4.1Å; F172-E176 HydrophobicContact CE2-CG 3.79Å; F172-E176 HydrophobicContact CZ-CG 3.67Å; F172-E176 PolarHBondContact O-N 3.49Å
177K96.3Very high97.8Very high84 Ų8450.8 Ų50.837%0.36529%0.289SS..Hα-helixtrans-67.2-36.8179.7-171.1172.6-176.8-178.60112.9L173 L174 G175 E225 F227 I230L173-K177 WeakPolarHBondContact O-CB 3.47Å; L173-K177 PolarHBondContact O-N 3.21Å; L174-K177 PolarHBondContact O-N 3.28Å; G175-K177 VanDerWaalsContact C-N 3.34Å; G175-K177 PolarHBondContact O-N 2.83Å; K177-E225 PolarHBondContact NZ-O 2.88Å; K177-F227 HydrophobicContact CD-CD1 4.18Å; K177-F227 HydrophobicContact CD-CE1 3.84Å; K177-F227 HydrophobicContact CD-CZ 4.13Å; K177-I230 HydrophobicContact CB-CD1 4.45Å; K177-I230 HydrophobicContact CD-CD1 3.61Å; K177-I230 HydrophobicContact CD-CG1 4.49Å
178L96Very high97.8Very high65 Ų6554.7 Ų54.734%0.3430%0.303SS..Hα-helixtrans-92.2-6.1-176.7-64.4173.4000113.4L174 G175 V180 V206 L211 F227L174-L178 WeakPolarHBondContact O-CB 3.2Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.35Å; L174-L178 PolarHBondContact O-N 3.43Å; G175-L178 PolarHBondContact O-N 3.32Å; L178-V180 HydrophobicContact CB-CG2 4.04Å; L178-V206 HydrophobicContact CD1-CG2 3.81Å; L178-L211 HydrophobicContact CD1-CD1 4.07Å; L178-F227 HydrophobicContact CD2-CE1 4.5Å; L178-F227 HydrophobicContact CD2-CZ 4.31Å
179G97.2Very high97.7Very high69 Ų6952.3 Ų52.371%0.71128%0.284SS*.THydrogen-bonded Turntrans68.930-176.600000113.9G175G175-G179 WeakPolarHBondContact O-CA 3.43Å; G175-G179 PolarHBondContact O-N 2.98Å
180V98.1Very high97.8Very high53 Ų5351 Ų5132%0.32128%0.279SS..SBendtrans-127.5158.4179.6-60.30000111.6G175 L178 A182 V185G175-V180 CarbonylContact C-O 3.5Å; G175-V180 VanDerWaalsContact C-O 3.23Å; G175-V180 WeakPolarHBondContact CA-O 3.48Å; G175-V180 PolarHBondContact O-N 2.99Å; G175-V180 VanDerWaalsContact O-O 3.1Å; L178-V180 HydrophobicContact CB-CG2 4.04Å; V180-A182 PolarHBondContact O-N 2.85Å; V180-V185 HydrophobicContact CG2-CG2 3.61Å
181S98Very high97.7Very high67 Ų6751 Ų5147%0.46928%0.279SS..  trans-59.1140.5174.4-176.90000111.3N183 S184 V185S181-N183 PolarHBondContact O-N 3.18Å; S181-N183 PolarHBondContact OG-N 3.35Å; S181-S184 WeakPolarHBondContact O-CA 3.32Å; S181-S184 WeakPolarHBondContact O-CB 3.34Å; S181-S184 PolarHBondContact O-N 3Å; S181-V185 PolarHBondContact O-N 2.98Å
182A97.7Very high97.6Very high30 Ų3048.2 Ų48.225%0.24827%0.269CS..G310 helixtrans-52.9-27.5170.200000112.8R171 F172 V180 S184 V185R171-A182 HydrophobicContact CB-CB 4.38Å; R171-A182 PolarHBondContact NE-O 2.59Å; R171-A182 VanDerWaalsContact NE-O 3.16Å; R171-A182 PolarHBondContact NH2-O 2.77Å; F172-A182 HydrophobicContact CB-CB 4.46Å; V180-A182 PolarHBondContact O-N 2.85Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 3.22Å; A182-V185 PolarHBondContact O-N 2.94Å; A182-V185 VanDerWaalsContact O-O 3.13Å
183N97.4Very high97.5Very high125 Ų12545.3 Ų45.367%0.66826%0.257SS*.G310 helixtrans-68.3-26175.7-71.4-26.6000113.4R171 S181R171-N183 PolarHBondContact NH2-O 3.47Å; S181-N183 PolarHBondContact O-N 3.18Å; S181-N183 PolarHBondContact OG-N 3.35Å
184S98.1Very high97.1Very high58 Ų5844.8 Ų44.841%0.40626%0.259SS..G310 helixtrans-92.5-6.1178-54.50000113.4S181 A182S181-S184 WeakPolarHBondContact O-CA 3.32Å; S181-S184 WeakPolarHBondContact O-CB 3.34Å; S181-S184 PolarHBondContact O-N 3Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 3.22Å
185V98.2Very high96.6Very high0 Ų050 Ų500%029%0.287CS..EExtended strand (participates in β ladder)trans-95.2131170.8-176.90000109.1R171 L174 V180 S181 A182 V206R171-V185 HydrophobicContact CB-CB 4.47Å; R171-V185 HydrophobicContact CG-CG1 4.49Å; R171-V185 PolarHBondContact NE-O 3.26Å; R171-V185 PolarHBondContact NH2-O 2.99Å; R171-V185 VanDerWaalsContact NH2-O 3.16Å; L174-V185 HydrophobicContact CB-CG1 3.72Å; L174-V185 HydrophobicContact CB-CG2 4.39Å; L174-V185 HydrophobicContact CD1-CG1 3.77Å; L174-V185 HydrophobicContact CG-CG1 4.39Å; V180-V185 HydrophobicContact CG2-CG2 3.61Å; S181-V185 PolarHBondContact O-N 2.98Å; A182-V185 PolarHBondContact O-N 2.94Å; A182-V185 VanDerWaalsContact O-O 3.13Å; V185-V206 HydrophobicContact CG2-CG2 4.19Å
186H98.1Very high96.3Very high84 Ų8451.8 Ų51.839%0.38930%0.299SS..EExtended strand (participates in β ladder)trans-117.5119175.5-53.6-69.8000109.3V204 N205H186-V204 CarbonylContact O-C 3.52Å; H186-V204 WeakPolarHBondContact O-CA 3.21Å; H186-N205 PolarHBondContact CD2-OD1 3.46Å; H186-N205 PolarHBondContact N-O 3.13Å; H186-N205 PolarHBondContact O-N 2.99Å
187G97.5Very high96.3Very high5 Ų545.8 Ų45.85%0.05227%0.271CS..  trans-170.5144.3-179.800000109.6
188Y98Very high96.3Very high86 Ų8642 Ų4234%0.33726%0.255SS..  trans-118.3138.2-179.4-68-67.4000110.6V200 P272 P292Y188-V200 PolarHBondContact O-N 2.59Å; Y188-P272 HydrophobicContact CD1-CB 4.02Å; Y188-P272 HydrophobicContact CD1-CG 3.79Å; Y188-P272 HydrophobicContact CE1-CG 4.22Å; Y188-P292 HydrophobicContact CD2-CG 4.2Å; Y188-P292 HydrophobicContact CE2-CG 4.38Å; Y188-P292 HydrophobicContact CG-CG 4.38Å
189V98.1Very high96.4Very high0 Ų039.1 Ų39.10%024%0.241CC..EExtended strand (participates in β ladder)trans-96.1128.3156.21790000106.1T163 D166 S167 F170 V198 A199T163-V189 WeakPolarHBondContact CB-O 3.31Å; T163-V189 HydrophobicContact CG2-CG1 4.15Å; T163-V189 PolarHBondContact OG1-O 3.11Å; D166-V189 HydrophobicContact CB-CB 4.19Å; D166-V189 HydrophobicContact CB-CG1 4.1Å; S167-V189 PolarHBondContact OG-N 3.12Å; S167-V189 PolarHBondContact OG-O 3.46Å; S167-V189 VanDerWaalsContact OG-O 3.09Å; F170-V189 HydrophobicContact CB-CG2 3.76Å; F170-V189 HydrophobicContact CD1-CG2 4.16Å; F170-V189 HydrophobicContact CD2-CG2 4.3Å; F170-V189 HydrophobicContact CG-CG2 3.83Å; V189-V198 CarbonylContact C-O 3.57Å; V189-V198 WeakPolarHBondContact CA-O 3.12Å; V189-A199 HydrophobicContact CG2-CB 4.48Å
190I98.1Very high96.4Very high0 Ų036 Ų360%021%0.208CC..EExtended strand (participates in β ladder)trans-126.1-177.4-17869.1169.3000110.7V198 V200 S290 L291 P306 L308 L316I190-V198 HydrophobicContact CG1-CB 4.02Å; I190-V198 PolarHBondContact N-O 2.83Å; I190-V198 PolarHBondContact O-N 3.44Å; I190-V200 HydrophobicContact CB-CG2 4.4Å; I190-V200 HydrophobicContact CD1-CG2 3.62Å; I190-V200 HydrophobicContact CG1-CG2 3.6Å; I190-V200 HydrophobicContact CG2-CG2 4.02Å; I190-S290 WeakPolarHBondContact CB-O 3.33Å; I190-L291 HydrophobicContact CD1-CD2 4.12Å; I190-P306 HydrophobicContact CD1-CG 4.2Å; I190-L308 HydrophobicContact CD1-CD1 4.16Å; I190-L308 HydrophobicContact CD1-CD2 3.92Å; I190-L316 HydrophobicContact CD1-CD1 4.18Å; I190-L316 HydrophobicContact CD1-CD2 4.28Å; I190-L316 HydrophobicContact CG1-CD1 4.33Å
191G97.1Very high96.3Very high0 Ų034.6 Ų34.60%020%0.197CC..EExtended strand (participates in β ladder)trans83.4-149.8177.900000113.3S290G191-S290 PolarHBondContact N-O 3.07Å; G191-S290 VanDerWaalsContact O-CB 3.28Å; G191-S290 WeakPolarHBondContact O-CB 3.42Å; G191-S290 PolarHBondContact O-N 3.39Å; G191-S290 PolarHBondContact O-OG 3.07Å
192E96.5Very high96.2Very high11 Ų1132.8 Ų32.85%0.05118%0.184CC..SBendtrans-69133.8177.7175.7-179179.900110.2R106 G194 S196 S197 L323R106-E192 IonicContact CZ-OE1 3.1Å; R106-E192 VanDerWaalsContact CZ-OE1 3.29Å; R106-E192 IonicContact NH1-OE1 2.64Å; R106-E192 PolarHBondContact NH1-OE1 3.37Å; R106-E192 IonicContact NH2-OE1 2.73Å; R106-E192 PolarHBondContact NH2-OE1 3.37Å; E192-G194 PolarHBondContact O-N 2.96Å; E192-S196 WeakPolarHBondContact CB-OG 3.49Å; E192-S196 VanDerWaalsContact CG-OG 3.32Å; E192-S196 WeakPolarHBondContact CG-OG 3.34Å; E192-S196 PolarHBondContact OE2-OG 2.85Å; E192-S197 WeakPolarHBondContact O-CA 3.38Å; E192-S197 VanDerWaalsContact O-CB 3.25Å; E192-S197 WeakPolarHBondContact O-CB 3.24Å; E192-S197 PolarHBondContact O-N 3.29Å; E192-L323 HydrophobicContact CB-CD1 3.92Å; E192-L323 HydrophobicContact CB-CG 4.36Å; E192-L323 HydrophobicContact CG-CD1 4.14Å; E192-L323 HydrophobicContact CG-CD2 4.03Å; E192-L323 HydrophobicContact CG-CG 4.21Å
193H95.2Very high96.1Very high49 Ų4933.1 Ų33.123%0.22718%0.182CC..SBendtrans-67.5121.1171.4174.652.6000110.4N138 V140 D141 T163 D166N138-H193 PolarHBondContact OD1-CD2 2.97Å; V140-H193 HydrophobicContact CG1-CB 3.62Å; D141-H193 PolarHBondContact OD2-N 3.07Å; T163-H193 HydrophobicContact CG2-CB 4.48Å; D166-H193 IonicContact OD1-CE1 3.53Å; D166-H193 PolarHBondContact OD1-CE1 2.93Å; D166-H193 IonicContact OD1-ND1 3.49Å; D166-H193 IonicContact OD2-CE1 2.63Å; D166-H193 PolarHBondContact OD2-CE1 3.14Å; D166-H193 IonicContact OD2-CG 2.7Å; D166-H193 IonicContact OD2-ND1 3.34Å; D166-H193 PolarHBondContact OD2-ND1 3.38Å
194G89.7Confident96.1Very high20 Ų2027.1 Ų27.121%0.20615%0.15CC..SBendtrans122.5-145.4179.100000113E192 S196 S197E192-G194 PolarHBondContact O-N 2.96Å; G194-S196 PolarHBondContact O-N 3.41Å; G194-S197 WeakPolarHBondContact O-CB 3.46Å; G194-S197 PolarHBondContact O-N 2.89Å; G194-S197 VanDerWaalsContact O-N 3.07Å; G194-S197 PolarHBondContact O-OG 2.96Å
195D87.5Confident96.1Very high110 Ų11026 Ų2659%0.58814%0.139SC*.THydrogen-bonded Turntrans-65.6-23.1-167.8-57.7-10.5000114V235 Y239D195-V235 HydrophobicContact CB-CG1 4.33Å; D195-V235 VanDerWaalsContact OD1-CG1 3.3Å; D195-V235 WeakPolarHBondContact OD1-CG1 3.4Å; D195-Y239 PolarHBondContact OD1-OH 3.36Å; D195-Y239 PolarHBondContact OD2-OH 3.2Å
196S92.5Very high96.1Very high39 Ų3927.5 Ų27.527%0.27315%0.148SC..THydrogen-bonded Turntrans-101.415.8178.653.20000113E192 G194 S319E192-S196 WeakPolarHBondContact CB-OG 3.49Å; E192-S196 VanDerWaalsContact CG-OG 3.32Å; E192-S196 WeakPolarHBondContact CG-OG 3.34Å; E192-S196 PolarHBondContact OE2-OG 2.85Å; G194-S196 PolarHBondContact O-N 3.41Å; S196-S319 PolarHBondContact O-OG 3.26Å
197S96.2Very high96.1Very high7 Ų728 Ų285%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-64.1153.6171.963.20000111.6E192 G194 H231E192-S197 WeakPolarHBondContact O-CA 3.38Å; E192-S197 VanDerWaalsContact O-CB 3.25Å; E192-S197 WeakPolarHBondContact O-CB 3.24Å; E192-S197 PolarHBondContact O-N 3.29Å; G194-S197 WeakPolarHBondContact O-CB 3.46Å; G194-S197 PolarHBondContact O-N 2.89Å; G194-S197 VanDerWaalsContact O-N 3.07Å; G194-S197 PolarHBondContact O-OG 2.96Å; S197-H231 PolarHBondContact O-CE1 3.36Å; S197-H231 PolarHBondContact O-NE2 3.42Å; S197-H231 PolarHBondContact OG-NE2 3.4Å
198V97Very high96Very high4 Ų430.5 Ų30.52%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-120.1107.7-174.6-173.20000109.6V189 I190 V200 E312 K315V189-V198 CarbonylContact C-O 3.57Å; V189-V198 WeakPolarHBondContact CA-O 3.12Å; I190-V198 HydrophobicContact CG1-CB 4.02Å; I190-V198 PolarHBondContact N-O 2.83Å; I190-V198 PolarHBondContact O-N 3.44Å; V198-V200 PolarHBondContact O-N 3.28Å; V198-E312 HydrophobicContact CG1-CB 4.17Å; V198-E312 HydrophobicContact CG1-CG 4.3Å; V198-K315 HydrophobicContact CG1-CB 4.23Å; V198-K315 HydrophobicContact CG2-CB 3.71Å
199A97.5Very high96Very high5 Ų530 Ų304%0.04120%0.199CC..EExtended strand (participates in β ladder)trans-71.4121.9167.200000109.8F170 V189 W201 H231F170-A199 HydrophobicContact CE2-CB 4.1Å; F170-A199 HydrophobicContact CZ-CB 4.05Å; V189-A199 HydrophobicContact CG2-CB 4.48Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 HydrophobicContact CB-CZ2 4.48Å; A199-W201 PolarHBondContact O-N 2.77Å; A199-W201 VanDerWaalsContact O-N 3.12Å; A199-H231 HydrophobicContact CB-CB 3.94Å
200V97.5Very high96Very high3 Ų335.7 Ų35.72%0.01822%0.22CC..  trans-88.472.2-177.7-170.30000110Y188 I190 V198 S202 N203 V204 L308 E312Y188-V200 PolarHBondContact O-N 2.59Å; I190-V200 HydrophobicContact CB-CG2 4.4Å; I190-V200 HydrophobicContact CD1-CG2 3.62Å; I190-V200 HydrophobicContact CG1-CG2 3.6Å; I190-V200 HydrophobicContact CG2-CG2 4.02Å; V198-V200 PolarHBondContact O-N 3.28Å; V200-S202 WeakPolarHBondContact CG1-OG 3.48Å; V200-S202 PolarHBondContact O-N 3.39Å; V200-N203 HydrophobicContact CG1-CB 4.1Å; V200-N203 PolarHBondContact O-N 2.84Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 3.39Å; V200-L308 HydrophobicContact CB-CD2 4.46Å; V200-L308 HydrophobicContact CG1-CD2 3.6Å; V200-L308 HydrophobicContact CG2-CD2 3.97Å; V200-E312 VanDerWaalsContact CA-OE1 3.26Å; V200-E312 WeakPolarHBondContact CA-OE1 3.14Å
201W97.1Very high95.9Very high24 Ų2436.6 Ų36.69%0.09123%0.225CC..G310 helixtrans-56.4-33.7-179.3-70.2111.7000113.3F170 L174 A199 N203 V204 I218 F227 I230 H231 E312F170-W201 AromaticContact CE2-CH2 3.49Å; F170-W201 HydrophobicContact CE2-CH2 3.49Å; F170-W201 VanDerWaalsContact CE2-CH2 3.49Å; F170-W201 AromaticContact CE2-CZ2 3.68Å; F170-W201 HydrophobicContact CE2-CZ2 3.68Å; F170-W201 HydrophobicContact CE2-CZ3 4.08Å; F170-W201 HydrophobicContact CZ-CD2 4.32Å; F170-W201 HydrophobicContact CZ-CE3 4.04Å; F170-W201 AromaticContact CZ-CH2 3.58Å; F170-W201 HydrophobicContact CZ-CH2 3.58Å; F170-W201 AromaticContact CZ-CZ2 3.89Å; F170-W201 HydrophobicContact CZ-CZ2 3.89Å; F170-W201 AromaticContact CZ-CZ3 3.68Å; F170-W201 HydrophobicContact CZ-CZ3 3.68Å; L174-W201 HydrophobicContact CD2-CH2 4.41Å; L174-W201 HydrophobicContact CD2-CZ3 4.09Å; A199-W201 VanDerWaalsContact C-N 3.33Å; A199-W201 HydrophobicContact CB-CZ2 4.48Å; A199-W201 PolarHBondContact O-N 2.77Å; A199-W201 VanDerWaalsContact O-N 3.12Å; W201-N203 PolarHBondContact O-N 3.27Å; W201-N203 VanDerWaalsContact O-N 3.12Å; W201-V204 HydrophobicContact CE3-CG2 4.03Å; W201-V204 PolarHBondContact O-N 3.49Å; W201-I218 HydrophobicContact CB-CG2 4.39Å; W201-I218 HydrophobicContact CE3-CD1 3.96Å; W201-I218 HydrophobicContact CE3-CG1 3.77Å; W201-I218 HydrophobicContact CZ3-CD1 4.05Å; W201-I218 HydrophobicContact CZ3-CG1 4.01Å; W201-F227 HydrophobicContact CH2-CB 3.68Å; W201-F227 HydrophobicContact CH2-CD1 4.31Å; W201-F227 WeakPolarHBondContact CH2-O 3.32Å; W201-F227 HydrophobicContact CZ2-CB 4.34Å; W201-F227 WeakPolarHBondContact CZ2-O 3.29Å; W201-F227 HydrophobicContact CZ3-CB 3.84Å; W201-F227 HydrophobicContact CZ3-CD1 4.06Å; W201-F227 HydrophobicContact CZ3-CG 4.36Å; W201-I230 HydrophobicContact CH2-CB 4.31Å; W201-H231 HydrophobicContact CZ2-CB 4.28Å; W201-E312 PolarHBondContact N-OE1 3.36Å
202S95.5Very high95.8Very high28 Ų2838.1 Ų38.120%0.19624%0.235CC..G310 helixtrans-55.1-30177.956.60000113.6V200 S212 E312V200-S202 WeakPolarHBondContact CG1-OG 3.48Å; V200-S202 PolarHBondContact O-N 3.39Å; S202-S212 PolarHBondContact O-OG 2.59Å; S202-E312 WeakPolarHBondContact CB-OE2 3.49Å; S202-E312 PolarHBondContact N-OE1 3.09Å; S202-E312 PolarHBondContact OG-OE1 3.41Å; S202-E312 PolarHBondContact OG-OE2 3.03Å
203N95.9Very high95.7Very high37 Ų3741.4 Ų41.420%0.19826%0.26CS..G310 helixtrans-110.6-0.4-175.1-67.2-27.6000114.5V200 W201 N205 E307V200-N203 HydrophobicContact CG1-CB 4.1Å; V200-N203 PolarHBondContact O-N 2.84Å; W201-N203 PolarHBondContact O-N 3.27Å; W201-N203 VanDerWaalsContact O-N 3.12Å; N203-N205 PolarHBondContact O-N 3.36Å; N203-N205 PolarHBondContact O-ND2 3.41Å; N203-E307 PolarHBondContact ND2-O 3.43Å
204V97.7Very high95.7Very high0 Ų045.2 Ų45.20%028%0.281CS..  trans-64.8127.7178.7-178.70000109.8F170 L174 H186 V200 W201 R210 L211F170-V204 HydrophobicContact CE1-CG2 3.75Å; F170-V204 HydrophobicContact CZ-CG2 4.02Å; L174-V204 HydrophobicContact CD1-CG1 3.8Å; H186-V204 CarbonylContact O-C 3.52Å; H186-V204 WeakPolarHBondContact O-CA 3.21Å; V200-V204 WeakPolarHBondContact O-CG2 3.39Å; V200-V204 PolarHBondContact O-N 3.39Å; W201-V204 HydrophobicContact CE3-CG2 4.03Å; W201-V204 PolarHBondContact O-N 3.49Å; V204-R210 WeakPolarHBondContact O-CA 3.47Å; V204-L211 HydrophobicContact CB-CD1 4.45Å; V204-L211 HydrophobicContact CG1-CD1 3.56Å; V204-L211 HydrophobicContact CG1-CG 4.02Å; V204-L211 PolarHBondContact O-N 3.46Å
205N98.3Very high95.9Very high34 Ų3445 Ų4518%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-147.7157.5-178.970.492.2000113H186 N203 G208 V209H186-N205 PolarHBondContact CD2-OD1 3.46Å; H186-N205 PolarHBondContact N-O 3.13Å; H186-N205 PolarHBondContact O-N 2.99Å; N203-N205 PolarHBondContact O-N 3.36Å; N203-N205 PolarHBondContact O-ND2 3.41Å; N205-G208 PolarHBondContact OD1-N 3.32Å; N205-V209 WeakPolarHBondContact CA-O 3.35Å; N205-V209 VanDerWaalsContact CB-O 3.23Å; N205-V209 WeakPolarHBondContact CB-O 3.36Å
206V98.1Very high96.2Very high32 Ų3245 Ų4519%0.19428%0.282CS..EExtended strand (participates in β ladder)trans-125.1126.5168.5176.60000107.3L178 V185 G208 V209L178-V206 HydrophobicContact CD1-CG2 3.81Å; V185-V206 HydrophobicContact CG2-CG2 4.19Å; V206-G208 PolarHBondContact O-N 2.98Å; V206-G208 VanDerWaalsContact O-N 3.1Å; V206-V209 PolarHBondContact N-O 3.14Å; V206-V209 VanDerWaalsContact N-O 3.16Å; V206-V209 PolarHBondContact O-N 3.16Å
207A97Very high96.3Very high93 Ų9347.9 Ų47.977%0.76929%0.289SS*.THydrogen-bonded Turntrans50.633.9-176.400000113.9V209A207-V209 VanDerWaalsContact C-N 3.3Å; A207-V209 PolarHBondContact O-N 3.02Å
208G96.7Very high96.2Very high59 Ų5948 Ų4861%0.60829%0.289SS*.THydrogen-bonded Turntrans82.9-7.3-178.300000115.5N205 V206 R210N205-G208 PolarHBondContact OD1-N 3.32Å; V206-G208 PolarHBondContact O-N 2.98Å; V206-G208 VanDerWaalsContact O-N 3.1Å; G208-R210 PolarHBondContact O-N 3.44Å
209V97.5Very high95.9Very high76 Ų7648.4 Ų48.446%0.46129%0.293SS..EExtended strand (participates in β ladder)trans-82.7111.4175.7-176.10000109.4N205 V206 A207 L211 L214N205-V209 WeakPolarHBondContact CA-O 3.35Å; N205-V209 VanDerWaalsContact CB-O 3.23Å; N205-V209 WeakPolarHBondContact CB-O 3.36Å; V206-V209 PolarHBondContact N-O 3.14Å; V206-V209 VanDerWaalsContact N-O 3.16Å; V206-V209 PolarHBondContact O-N 3.16Å; A207-V209 VanDerWaalsContact C-N 3.3Å; A207-V209 PolarHBondContact O-N 3.02Å; V209-L211 PolarHBondContact O-N 3.48Å; V209-L214 HydrophobicContact CG1-CD1 4.01Å; V209-L214 HydrophobicContact CG1-CD2 4.49Å; V209-L214 HydrophobicContact CG1-CG 4.29Å
210R97Very high95.6Very high119 Ų11950.9 Ų50.945%0.44931%0.31SS..EExtended strand (participates in β ladder)trans-66125.3177.8-70.9-173.6179.2-178.4-3.3110V204 G208 S212 S213V204-R210 WeakPolarHBondContact O-CA 3.47Å; G208-R210 PolarHBondContact O-N 3.44Å; R210-S212 PolarHBondContact O-N 3.46Å; R210-S213 WeakPolarHBondContact O-CB 3.41Å; R210-S213 PolarHBondContact O-N 3.23Å; R210-S213 PolarHBondContact O-OG 3.42Å
211L96.2Very high95.2Very high18 Ų1859.4 Ų59.49%0.09435%0.347CS..Hα-helixtrans-64.7-32.3178.5-58.9-170.9000111.7L174 L178 V204 V209 S213 L214 N215 I218 F227L174-L211 HydrophobicContact CD2-CD1 4.46Å; L178-L211 HydrophobicContact CD1-CD1 4.07Å; V204-L211 HydrophobicContact CB-CD1 4.45Å; V204-L211 HydrophobicContact CG1-CD1 3.56Å; V204-L211 HydrophobicContact CG1-CG 4.02Å; V204-L211 PolarHBondContact O-N 3.46Å; V209-L211 PolarHBondContact O-N 3.48Å; L211-S213 PolarHBondContact O-N 3.1Å; L211-L214 PolarHBondContact O-N 2.89Å; L211-N215 PolarHBondContact O-N 2.92Å; L211-I218 HydrophobicContact CB-CD1 3.39Å; L211-I218 HydrophobicContact CD1-CD1 3.79Å; L211-I218 HydrophobicContact CG-CD1 4.25Å; L211-F227 HydrophobicContact CD1-CE1 4.47Å
212S94.9Very high94.9Very high32 Ų3262.6 Ų62.622%0.22437%0.366CS..Hα-helixtrans-61.6-21.9173.354.40000113.9S202 R210 N215 P216S202-S212 PolarHBondContact O-OG 2.59Å; R210-S212 PolarHBondContact O-N 3.46Å; S212-N215 CarbonylContact O-C 3.54Å; S212-P216 WeakPolarHBondContact O-CA 3.38Å
213S94.8Very high94.8Very high81 Ų8161.7 Ų61.757%0.56636%0.359SS*.Hα-helixtrans-78.6-23.5173.872.80000113.3R210 L211R210-S213 WeakPolarHBondContact O-CB 3.41Å; R210-S213 PolarHBondContact O-N 3.23Å; R210-S213 PolarHBondContact O-OG 3.42Å; L211-S213 PolarHBondContact O-N 3.1Å
214L94.8Very high94.6Very high128 Ų12865.2 Ų65.267%0.6738%0.384SS*.Hα-helixtrans-92.9-40.9178.6-57.4178.3000111.1V209 L211V209-L214 HydrophobicContact CG1-CD1 4.01Å; V209-L214 HydrophobicContact CG1-CD2 4.49Å; V209-L214 HydrophobicContact CG1-CG 4.29Å; L211-L214 PolarHBondContact O-N 2.89Å
215N94.9Very high94.4Very high17 Ų1770.3 Ų70.39%0.09141%0.408CS..  trans-126.493.6175.3178.3-1.6000108.8L211 S212 K217 I218 D223L211-N215 PolarHBondContact O-N 2.92Å; S212-N215 CarbonylContact O-C 3.54Å; N215-K217 PolarHBondContact O-N 2.76Å; N215-K217 PolarHBondContact OD1-N 3.4Å; N215-K217 VanDerWaalsContact OD1-N 3.09Å; N215-I218 HydrophobicContact CB-CB 4.29Å; N215-I218 VanDerWaalsContact O-CB 3.27Å; N215-I218 WeakPolarHBondContact O-CB 3.36Å; N215-I218 WeakPolarHBondContact O-CG2 3.33Å; N215-I218 PolarHBondContact O-N 2.98Å; N215-I218 PolarHBondContact OD1-N 3.16Å; N215-D223 PolarHBondContact ND2-OD1 3.16Å
216P93.8Very high94.1Very high110 Ų11072.3 Ų72.371%0.71442%0.418SS*.THydrogen-bonded Turntrans-60.6-17.1179.4-26.335.9000114.6S212S212-P216 WeakPolarHBondContact O-CA 3.38Å
217K94Very high94Very high98 Ų9871.1 Ų71.143%0.42641%0.41SS..THydrogen-bonded Turntrans-94.65177.6-61.5-172.4173.3-159.10112.8N215 G219 C220 D222 D223N215-K217 PolarHBondContact O-N 2.76Å; N215-K217 PolarHBondContact OD1-N 3.4Å; N215-K217 VanDerWaalsContact OD1-N 3.09Å; K217-G219 PolarHBondContact O-N 3.36Å; K217-C220 WeakPolarHBondContact O-CB 3.18Å; K217-C220 PolarHBondContact O-N 3.45Å; K217-D222 WeakPolarHBondContact CD-OD2 3.01Å; K217-D222 VanDerWaalsContact CE-OD2 3.3Å; K217-D222 WeakPolarHBondContact CE-OD2 3.5Å; K217-D222 IonicContact NZ-OD2 2.71Å; K217-D222 PolarHBondContact NZ-OD2 2.9Å; K217-D223 WeakPolarHBondContact O-CB 3.44Å
218I94.4Very high93.8Very high11 Ų1168.6 Ų68.66%0.05638%0.383CS..THydrogen-bonded Turntrans-53.5129.6-174.7-166.8170.3000111.6W201 L211 N215 C220 F227W201-I218 HydrophobicContact CB-CG2 4.39Å; W201-I218 HydrophobicContact CE3-CD1 3.96Å; W201-I218 HydrophobicContact CE3-CG1 3.77Å; W201-I218 HydrophobicContact CZ3-CD1 4.05Å; W201-I218 HydrophobicContact CZ3-CG1 4.01Å; L211-I218 HydrophobicContact CB-CD1 3.39Å; L211-I218 HydrophobicContact CD1-CD1 3.79Å; L211-I218 HydrophobicContact CG-CD1 4.25Å; N215-I218 HydrophobicContact CB-CB 4.29Å; N215-I218 VanDerWaalsContact O-CB 3.27Å; N215-I218 WeakPolarHBondContact O-CB 3.36Å; N215-I218 WeakPolarHBondContact O-CG2 3.33Å; N215-I218 PolarHBondContact O-N 2.98Å; N215-I218 PolarHBondContact OD1-N 3.16Å; I218-C220 PolarHBondContact O-N 3.37Å; I218-F227 HydrophobicContact CD1-CB 4.36Å; I218-F227 HydrophobicContact CD1-CD1 3.98Å; I218-F227 HydrophobicContact CD1-CD2 4.15Å; I218-F227 HydrophobicContact CD1-CE1 4.29Å; I218-F227 HydrophobicContact CD1-CE2 4.43Å; I218-F227 HydrophobicContact CD1-CG 3.92Å; I218-F227 HydrophobicContact CG1-CB 3.7Å; I218-F227 HydrophobicContact CG1-CD1 4.25Å; I218-F227 HydrophobicContact CG1-CD2 3.93Å; I218-F227 HydrophobicContact CG1-CG 3.72Å
219G90.3Very high93.7Very high11 Ų1169.1 Ų69.111%0.11337%0.369CS..THydrogen-bonded Turntrans76.9-3.4-179.300000115.3K217 D223K217-G219 PolarHBondContact O-N 3.36Å; G219-D223 PolarHBondContact N-OD2 3.11Å
220C91.4Very high93.7Very high58 Ų5865.9 Ų65.939%0.39235%0.349SS..SBendtrans-80.8160.8169.5-590000110.8K217 I218 D222 D223K217-C220 WeakPolarHBondContact O-CB 3.18Å; K217-C220 PolarHBondContact O-N 3.45Å; I218-C220 PolarHBondContact O-N 3.37Å; C220-D222 VanDerWaalsContact CB-OD1 3.31Å; C220-D222 WeakPolarHBondContact CB-OD1 3.28Å; C220-D222 PolarHBondContact O-N 3.45Å; C220-D223 WeakPolarHBondContact O-CB 3.27Å; C220-D223 PolarHBondContact O-N 2.84Å; C220-D223 VanDerWaalsContact O-N 3.17Å
221K88.8Confident93.6Very high181 Ų18161.9 Ų61.979%0.78734%0.336SS*.THydrogen-bonded Turntrans-63.7-26.3178.3-69.9-177178-179.20113.5
222D91.2Very high93.5Very high92 Ų9265.4 Ų65.449%0.49235%0.35SS..THydrogen-bonded Turntrans-99.917.2179.769.1-38.9000112.8K217 C220 P224K217-D222 WeakPolarHBondContact CD-OD2 3.01Å; K217-D222 VanDerWaalsContact CE-OD2 3.3Å; K217-D222 WeakPolarHBondContact CE-OD2 3.5Å; K217-D222 IonicContact NZ-OD2 2.71Å; K217-D222 PolarHBondContact NZ-OD2 2.9Å; C220-D222 VanDerWaalsContact CB-OD1 3.31Å; C220-D222 WeakPolarHBondContact CB-OD1 3.28Å; C220-D222 PolarHBondContact O-N 3.45Å; D222-P224 WeakPolarHBondContact O-CD 3.39Å
223D93.2Very high93.6Very high8 Ų867.7 Ų67.74%0.04336%0.357CS..  trans-62.8116.2168.5-178-5.2000110.3N215 K217 G219 C220 E225 N226 F227N215-D223 PolarHBondContact ND2-OD1 3.16Å; K217-D223 WeakPolarHBondContact O-CB 3.44Å; G219-D223 PolarHBondContact N-OD2 3.11Å; C220-D223 WeakPolarHBondContact O-CB 3.27Å; C220-D223 PolarHBondContact O-N 2.84Å; C220-D223 VanDerWaalsContact O-N 3.17Å; D223-E225 PolarHBondContact O-N 3.04Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 3.49Å; D223-N226 PolarHBondContact O-N 3.31Å; D223-F227 WeakPolarHBondContact OD2-CB 3.41Å; D223-F227 WeakPolarHBondContact OD2-CD2 3.15Å; D223-F227 PolarHBondContact OD2-N 3.34Å
224P91.4Very high93.6Very high112 Ų11263.9 Ų63.973%0.72733%0.331SS*.THydrogen-bonded Turntrans-62.9-23.6-17926.9-35.4000113.3D222D222-P224 WeakPolarHBondContact O-CD 3.39Å
225E93.2Very high93.5Very high107 Ų10759.2 Ų59.250%0.531%0.307SS..THydrogen-bonded Turntrans-93.9-3.1177.2-66.9-177.8-107.100112.3K177 D223 F227K177-E225 PolarHBondContact NZ-O 2.88Å; D223-E225 PolarHBondContact O-N 3.04Å; D223-E225 VanDerWaalsContact O-N 3.16Å; D223-E225 PolarHBondContact OD1-N 3.49Å; E225-F227 HydrophobicContact CB-CD2 3.61Å; E225-F227 HydrophobicContact CB-CE2 3.48Å; E225-F227 VanDerWaalsContact CB-CE2 3.48Å; E225-F227 HydrophobicContact CG-CE2 4.21Å; E225-F227 PolarHBondContact O-N 2.88Å; E225-F227 WeakPolarHBondContact OE2-CE2 3.5Å
226N93.6Very high93.5Very high76 Ų7662.3 Ų62.341%0.40632%0.321SS..  trans52.848.7178.8-168.324.6000113.1D223 E228 E229D223-N226 PolarHBondContact O-N 3.31Å; N226-E228 PolarHBondContact O-N 3.06Å; N226-E229 WeakPolarHBondContact O-CB 3.26Å; N226-E229 PolarHBondContact O-N 2.89Å
227F94.7Very high93.4Very high6 Ų658.2 Ų58.23%0.02630%0.295CS..THydrogen-bonded Turntrans-67.1-23174.1-78.7-98.9000112.8L174 K177 L178 W201 L211 I218 D223 E225 E229 I230L174-F227 HydrophobicContact CD2-CD1 3.76Å; L174-F227 HydrophobicContact CD2-CE1 3.86Å; K177-F227 HydrophobicContact CD-CD1 4.18Å; K177-F227 HydrophobicContact CD-CE1 3.84Å; K177-F227 HydrophobicContact CD-CZ 4.13Å; L178-F227 HydrophobicContact CD2-CE1 4.5Å; L178-F227 HydrophobicContact CD2-CZ 4.31Å; W201-F227 HydrophobicContact CH2-CB 3.68Å; W201-F227 HydrophobicContact CH2-CD1 4.31Å; W201-F227 WeakPolarHBondContact CH2-O 3.32Å; W201-F227 HydrophobicContact CZ2-CB 4.34Å; W201-F227 WeakPolarHBondContact CZ2-O 3.29Å; W201-F227 HydrophobicContact CZ3-CB 3.84Å; W201-F227 HydrophobicContact CZ3-CD1 4.06Å; W201-F227 HydrophobicContact CZ3-CG 4.36Å; L211-F227 HydrophobicContact CD1-CE1 4.47Å; I218-F227 HydrophobicContact CD1-CB 4.36Å; I218-F227 HydrophobicContact CD1-CD1 3.98Å; I218-F227 HydrophobicContact CD1-CD2 4.15Å; I218-F227 HydrophobicContact CD1-CE1 4.29Å; I218-F227 HydrophobicContact CD1-CE2 4.43Å; I218-F227 HydrophobicContact CD1-CG 3.92Å; I218-F227 HydrophobicContact CG1-CB 3.7Å; I218-F227 HydrophobicContact CG1-CD1 4.25Å; I218-F227 HydrophobicContact CG1-CD2 3.93Å; I218-F227 HydrophobicContact CG1-CG 3.72Å; D223-F227 WeakPolarHBondContact OD2-CB 3.41Å; D223-F227 WeakPolarHBondContact OD2-CD2 3.15Å; D223-F227 PolarHBondContact OD2-N 3.34Å; E225-F227 HydrophobicContact CB-CD2 3.61Å; E225-F227 HydrophobicContact CB-CE2 3.48Å; E225-F227 VanDerWaalsContact CB-CE2 3.48Å; E225-F227 HydrophobicContact CG-CE2 4.21Å; E225-F227 PolarHBondContact O-N 2.88Å; E225-F227 WeakPolarHBondContact OE2-CE2 3.5Å; F227-E229 PolarHBondContact O-N 2.81Å; F227-E229 VanDerWaalsContact O-N 3.14Å; F227-I230 HydrophobicContact CD1-CD1 3.64Å; F227-I230 HydrophobicContact CE1-CD1 4.22Å; F227-I230 HydrophobicContact CG-CD1 4.43Å; F227-I230 WeakPolarHBondContact O-CB 3.02Å; F227-I230 PolarHBondContact O-N 3.41Å
228E92.8Very high93Very high41 Ų4154.9 Ų54.919%0.19229%0.286CS..Hα-helixtrans-52.4-36.3174.1-169.5-163.9-166.200111.6N226 I230 H231 K232N226-E228 PolarHBondContact O-N 3.06Å; E228-I230 PolarHBondContact O-N 3.46Å; E228-H231 PolarHBondContact O-N 2.96Å; E228-H231 VanDerWaalsContact O-N 3.09Å; E228-K232 VanDerWaalsContact CD-CE 3.48Å; E228-K232 VanDerWaalsContact CD-NZ 3.28Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 IonicContact OE1-NZ 3.68Å; E228-K232 IonicContact OE2-NZ 2.77Å; E228-K232 PolarHBondContact OE2-NZ 3.43Å
229E94.9Very high92.7Very high69 Ų6959.6 Ų59.632%0.32230%0.304SS..Hα-helixtrans-58.5-29.9178.1-172.555.9-149.900113.2N226 F227 H231 K232 Q233N226-E229 WeakPolarHBondContact O-CB 3.26Å; N226-E229 PolarHBondContact O-N 2.89Å; F227-E229 PolarHBondContact O-N 2.81Å; F227-E229 VanDerWaalsContact O-N 3.14Å; E229-H231 PolarHBondContact O-N 3.5Å; E229-K232 PolarHBondContact O-N 2.97Å; E229-K232 WeakPolarHBondContact OE2-CD 3.46Å; E229-Q233 HydrophobicContact CG-CG 4.45Å; E229-Q233 WeakPolarHBondContact O-CB 3.17Å; E229-Q233 WeakPolarHBondContact O-CG 3.37Å; E229-Q233 PolarHBondContact O-N 3.21Å
230I96.6Very high92.9Very high9 Ų961.4 Ų61.45%0.04631%0.311CS..Hα-helixtrans-63.1-43.6176.8-69.9163.5000110.7F170 L173 L174 K177 W201 F227 E228 Q233 V234F170-I230 HydrophobicContact CD2-CG2 3.69Å; F170-I230 HydrophobicContact CE2-CG2 3.82Å; L173-I230 HydrophobicContact CB-CG2 3.67Å; L173-I230 HydrophobicContact CD1-CG2 4.19Å; L174-I230 HydrophobicContact CD2-CD1 3.67Å; L174-I230 HydrophobicContact CG-CD1 4.22Å; L174-I230 HydrophobicContact CG-CG2 4.34Å; K177-I230 HydrophobicContact CB-CD1 4.45Å; K177-I230 HydrophobicContact CD-CD1 3.61Å; K177-I230 HydrophobicContact CD-CG1 4.49Å; W201-I230 HydrophobicContact CH2-CB 4.31Å; F227-I230 HydrophobicContact CD1-CD1 3.64Å; F227-I230 HydrophobicContact CE1-CD1 4.22Å; F227-I230 HydrophobicContact CG-CD1 4.43Å; F227-I230 WeakPolarHBondContact O-CB 3.02Å; F227-I230 PolarHBondContact O-N 3.41Å; E228-I230 PolarHBondContact O-N 3.46Å; I230-Q233 PolarHBondContact O-N 3.23Å; I230-V234 WeakPolarHBondContact O-CG2 3.04Å; I230-V234 PolarHBondContact O-N 2.92Å
231H95.6Very high93Very high34 Ų3461.7 Ų61.716%0.15731%0.308CS..Hα-helixtrans-67.5-38.4178.1179.4-134.6000111.3S197 A199 W201 E228 E229 Q233 V234 V235S197-H231 PolarHBondContact O-CE1 3.36Å; S197-H231 PolarHBondContact O-NE2 3.42Å; S197-H231 PolarHBondContact OG-NE2 3.4Å; A199-H231 HydrophobicContact CB-CB 3.94Å; W201-H231 HydrophobicContact CZ2-CB 4.28Å; E228-H231 PolarHBondContact O-N 2.96Å; E228-H231 VanDerWaalsContact O-N 3.09Å; E229-H231 PolarHBondContact O-N 3.5Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 2.94Å; H231-V234 WeakPolarHBondContact O-CB 3.44Å; H231-V234 PolarHBondContact O-N 3.3Å; H231-V234 VanDerWaalsContact O-N 3.13Å; H231-V235 PolarHBondContact O-N 3.42Å; H231-V235 VanDerWaalsContact O-N 3.08Å
232K95Very high93.2Very high92 Ų9256.9 Ų56.940%0.429%0.29SS..Hα-helixtrans-58.4-44.4172.3-66174.6-171.4154.20111.5E228 E229 V234 V235 Q236E228-K232 VanDerWaalsContact CD-CE 3.48Å; E228-K232 VanDerWaalsContact CD-NZ 3.28Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 IonicContact OE1-NZ 3.68Å; E228-K232 IonicContact OE2-NZ 2.77Å; E228-K232 PolarHBondContact OE2-NZ 3.43Å; E229-K232 PolarHBondContact O-N 2.97Å; E229-K232 WeakPolarHBondContact OE2-CD 3.46Å; K232-V234 VanDerWaalsContact C-N 3.35Å; K232-V234 PolarHBondContact O-N 3.45Å; K232-V235 PolarHBondContact O-N 2.97Å; K232-Q236 VanDerWaalsContact O-CB 3.26Å; K232-Q236 WeakPolarHBondContact O-CB 3.21Å; K232-Q236 PolarHBondContact O-N 3.24Å
233Q95.7Very high93.3Very high81 Ų8160.7 Ų60.738%0.37930%0.297SS..Hα-helixtrans-63.2-36.8174.9-73176.321.900112.6L173 E229 I230 H231 Q236 S237L173-Q233 HydrophobicContact CD1-CB 3.67Å; E229-Q233 HydrophobicContact CG-CG 4.45Å; E229-Q233 WeakPolarHBondContact O-CB 3.17Å; E229-Q233 WeakPolarHBondContact O-CG 3.37Å; E229-Q233 PolarHBondContact O-N 3.21Å; I230-Q233 PolarHBondContact O-N 3.23Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 2.94Å; Q233-Q236 PolarHBondContact O-N 3.31Å; Q233-S237 WeakPolarHBondContact O-CA 3.47Å; Q233-S237 WeakPolarHBondContact O-CB 3.48Å; Q233-S237 PolarHBondContact O-N 3.33Å; Q233-S237 PolarHBondContact O-OG 3.05Å
234V96.1Very high93.4Very high1 Ų167 Ų671%0.00633%0.331CS..Hα-helixtrans-61.2-48.9175.3171.20000111.1D166 R169 F170 L173 I230 H231 K232 Q236 S237D166-V234 HydrophobicContact CB-CG1 3.79Å; D166-V234 WeakPolarHBondContact O-CG1 3.48Å; R169-V234 HydrophobicContact CB-CG1 4.21Å; R169-V234 HydrophobicContact CB-CG2 4.13Å; F170-V234 VanDerWaalsContact CA-CG2 3.48Å; F170-V234 HydrophobicContact CB-CG2 3.82Å; F170-V234 HydrophobicContact CD2-CG2 4.07Å; F170-V234 HydrophobicContact CG-CG2 4.47Å; L173-V234 HydrophobicContact CD1-CG2 3.87Å; I230-V234 WeakPolarHBondContact O-CG2 3.04Å; I230-V234 PolarHBondContact O-N 2.92Å; H231-V234 WeakPolarHBondContact O-CB 3.44Å; H231-V234 PolarHBondContact O-N 3.3Å; H231-V234 VanDerWaalsContact O-N 3.13Å; K232-V234 VanDerWaalsContact C-N 3.35Å; K232-V234 PolarHBondContact O-N 3.45Å; V234-Q236 VanDerWaalsContact C-N 3.35Å; V234-S237 WeakPolarHBondContact O-CB 3.46Å; V234-S237 PolarHBondContact O-N 3.04Å
235V93Very high93.6Very high29 Ų2965.2 Ų65.218%0.17631%0.311CS..Hα-helixtrans-61.8-46.3177174.10000110D195 H231 K232 S237D195-V235 HydrophobicContact CB-CG1 4.33Å; D195-V235 VanDerWaalsContact OD1-CG1 3.3Å; D195-V235 WeakPolarHBondContact OD1-CG1 3.4Å; H231-V235 PolarHBondContact O-N 3.42Å; H231-V235 VanDerWaalsContact O-N 3.08Å; K232-V235 PolarHBondContact O-N 2.97Å; V235-S237 VanDerWaalsContact C-N 3.28Å; V235-S237 PolarHBondContact O-N 2.63Å
236Q93.4Very high93.6Very high82 Ų8262.4 Ų62.438%0.38331%0.311SS..Hα-helixtrans-69.9-23.2-177.8-166.157.734.200113.6K232 Q233 V234 A238 Y239 D240K232-Q236 VanDerWaalsContact O-CB 3.26Å; K232-Q236 WeakPolarHBondContact O-CB 3.21Å; K232-Q236 PolarHBondContact O-N 3.24Å; Q233-Q236 PolarHBondContact O-N 3.31Å; V234-Q236 VanDerWaalsContact C-N 3.35Å; Q236-A238 VanDerWaalsContact C-N 3.26Å; Q236-A238 PolarHBondContact O-N 3.44Å; Q236-A238 VanDerWaalsContact O-N 3.17Å; Q236-Y239 PolarHBondContact O-N 2.94Å; Q236-D240 PolarHBondContact O-N 2.89Å
237S91.5Very high93.6Very high25 Ų2562.2 Ų62.218%0.17531%0.305CS..Hα-helixtrans-55-39.1-175.8-72.10000113Q233 V234 V235 I241Q233-S237 WeakPolarHBondContact O-CA 3.47Å; Q233-S237 WeakPolarHBondContact O-CB 3.48Å; Q233-S237 PolarHBondContact O-N 3.33Å; Q233-S237 PolarHBondContact O-OG 3.05Å; V234-S237 WeakPolarHBondContact O-CB 3.46Å; V234-S237 PolarHBondContact O-N 3.04Å; V235-S237 VanDerWaalsContact C-N 3.28Å; V235-S237 PolarHBondContact O-N 2.63Å; S237-I241 WeakPolarHBondContact O-CB 3.4Å; S237-I241 VanDerWaalsContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.12Å; S237-I241 PolarHBondContact O-N 3.3Å
238A85.4Confident93.5Very high27 Ų2763.9 Ų63.922%0.22332%0.316CS..Hα-helixtrans-64.7-46.7178.600000111.1Q236 I241 I242Q236-A238 VanDerWaalsContact C-N 3.26Å; Q236-A238 PolarHBondContact O-N 3.44Å; Q236-A238 VanDerWaalsContact O-N 3.17Å; A238-I241 PolarHBondContact O-N 2.98Å; A238-I242 WeakPolarHBondContact O-CB 3.46Å; A238-I242 WeakPolarHBondContact O-CD1 3.38Å; A238-I242 WeakPolarHBondContact O-CG1 3.36Å; A238-I242 PolarHBondContact O-N 3.27Å
239Y90Very high93.7Very high110 Ų11062.3 Ų62.343%0.43131%0.309SS..Hα-helixtrans-65.3-42.6178.9-57.9-68.2000112D195 Q236 I242 R243D195-Y239 PolarHBondContact OD1-OH 3.36Å; D195-Y239 PolarHBondContact OD2-OH 3.2Å; Q236-Y239 PolarHBondContact O-N 2.94Å; Y239-I242 PolarHBondContact O-N 3.11Å; Y239-R243 WeakPolarHBondContact O-CB 3.44Å; Y239-R243 PolarHBondContact O-N 3.17Å
240D93.9Very high93.9Very high49 Ų4966.8 Ų66.826%0.26232%0.324SS..Hα-helixtrans-64.7-43.7178-75.8-23.4000112Q236 I242 R243 L244Q236-D240 PolarHBondContact O-N 2.89Å; D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 3.46Å; D240-R243 PolarHBondContact O-N 2.66Å; D240-R243 IonicContact OD1-CZ 3.9Å; D240-R243 IonicContact OD1-NH1 3.29Å; D240-R243 PolarHBondContact OD1-NH1 2.83Å; D240-R243 IonicContact OD1-NH2 3.61Å; D240-R243 PolarHBondContact OD1-NH2 2.82Å; D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 VanDerWaalsContact O-CG 3.24Å; D240-L244 WeakPolarHBondContact O-CG 3.48Å; D240-L244 PolarHBondContact O-N 2.9Å
241I93.8Very high94Very high64 Ų6468.6 Ų68.633%0.32834%0.34SS..Hα-helixtrans-63-42.7175.5-68.4164.7000110.5S237 A238 L244 K245 T248S237-I241 WeakPolarHBondContact O-CB 3.4Å; S237-I241 VanDerWaalsContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CD1 3.31Å; S237-I241 WeakPolarHBondContact O-CG1 3.12Å; S237-I241 PolarHBondContact O-N 3.3Å; A238-I241 PolarHBondContact O-N 2.98Å; I241-L244 PolarHBondContact O-N 2.77Å; I241-K245 HydrophobicContact CG2-CB 4.44Å; I241-K245 WeakPolarHBondContact O-CA 3.35Å; I241-K245 VanDerWaalsContact O-CB 3.26Å; I241-K245 WeakPolarHBondContact O-CB 3.47Å; I241-K245 PolarHBondContact O-N 3.32Å; I241-T248 HydrophobicContact CB-CG2 4.46Å; I241-T248 HydrophobicContact CG2-CG2 4.06Å
242I91.7Very high94.1Very high80 Ų8067.8 Ų67.841%0.4134%0.336SS..Hα-helixtrans-64.7-41.9177.5-69.4165.3000110.5A238 Y239 D240 L244 G246 T248A238-I242 WeakPolarHBondContact O-CB 3.46Å; A238-I242 WeakPolarHBondContact O-CD1 3.38Å; A238-I242 WeakPolarHBondContact O-CG1 3.36Å; A238-I242 PolarHBondContact O-N 3.27Å; Y239-I242 PolarHBondContact O-N 3.11Å; D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 3.46Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.63Å; I242-G246 WeakPolarHBondContact O-CA 3.48Å; I242-G246 PolarHBondContact O-N 3.42Å; I242-T248 HydrophobicContact CD1-CG2 4.37Å; I242-T248 HydrophobicContact CG1-CG2 4.03Å
243R94.4Very high94.2Very high172 Ų17263.4 Ų63.465%0.64932%0.317SS*.Hα-helixtrans-60.3-42.2175.7-175.9-177.267.6-138.6-11111.9Y239 D240Y239-R243 WeakPolarHBondContact O-CB 3.44Å; Y239-R243 PolarHBondContact O-N 3.17Å; D240-R243 PolarHBondContact O-N 2.66Å; D240-R243 IonicContact OD1-CZ 3.9Å; D240-R243 IonicContact OD1-NH1 3.29Å; D240-R243 PolarHBondContact OD1-NH1 2.83Å; D240-R243 IonicContact OD1-NH2 3.61Å; D240-R243 PolarHBondContact OD1-NH2 2.82Å
244L95.8Very high94.4Very high142 Ų14263.8 Ų63.874%0.74332%0.322SS*.Hα-helixtrans-83.6-37.4-174.7-67.2171000113.9D240 I241 I242D240-L244 WeakPolarHBondContact O-CB 3.45Å; D240-L244 VanDerWaalsContact O-CG 3.24Å; D240-L244 WeakPolarHBondContact O-CG 3.48Å; D240-L244 PolarHBondContact O-N 2.9Å; I241-L244 PolarHBondContact O-N 2.77Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.63Å
245K95.3Very high94.5Very high73 Ų7364.2 Ų64.232%0.31732%0.324SS..Hα-helixtrans-112.1-17.6-172.1-172-176.2173.4-163.60113.4I241 Y247 S249 W250I241-K245 HydrophobicContact CG2-CB 4.44Å; I241-K245 WeakPolarHBondContact O-CA 3.35Å; I241-K245 VanDerWaalsContact O-CB 3.26Å; I241-K245 WeakPolarHBondContact O-CB 3.47Å; I241-K245 PolarHBondContact O-N 3.32Å; K245-Y247 VanDerWaalsContact C-N 3.33Å; K245-Y247 HydrophobicContact CD-CE2 4.34Å; K245-Y247 VanDerWaalsContact CE-CE2 3.43Å; K245-Y247 HydrophobicContact CG-CE1 4.44Å; K245-S249 PolarHBondContact NZ-OG 3.12Å; K245-W250 VanDerWaalsContact NZ-CD1 3.28Å
246G93.5Very high94.8Very high49 Ų4962.8 Ų62.851%0.50532%0.316SS..SBendtrans87.6-14.5-174.900000115I242I242-G246 WeakPolarHBondContact O-CA 3.48Å; I242-G246 PolarHBondContact O-N 3.42Å
247Y92.5Very high95Very high72 Ų7263.1 Ų63.128%0.28231%0.313SS..SBendtrans-165.3163-178.457.3-89.1000112.7M32 K245M32-Y247 HydrophobicContact CB-CD2 3.48Å; M32-Y247 VanDerWaalsContact CB-CD2 3.48Å; M32-Y247 HydrophobicContact CB-CE2 3.78Å; M32-Y247 HydrophobicContact CB-CG 4.1Å; M32-Y247 HydrophobicContact CG-CD1 4.16Å; M32-Y247 HydrophobicContact CG-CD2 3.55Å; M32-Y247 HydrophobicContact CG-CE1 4.27Å; M32-Y247 HydrophobicContact CG-CE2 3.67Å; M32-Y247 HydrophobicContact CG-CG 3.81Å; M32-Y247 HydrophobicContact SD-CD2 4.32Å; M32-Y247 HydrophobicContact SD-CE1 4.32Å; M32-Y247 HydrophobicContact SD-CE2 3.8Å; K245-Y247 VanDerWaalsContact C-N 3.33Å; K245-Y247 HydrophobicContact CD-CE2 4.34Å; K245-Y247 VanDerWaalsContact CE-CE2 3.43Å; K245-Y247 HydrophobicContact CG-CE1 4.44Å
248T93.1Very high95.3Very high41 Ų4164.2 Ų64.225%0.25232%0.321SS..  trans-98146.4166.661.20000110.5V33 I241 I242V33-T248 WeakPolarHBondContact CG2-O 3.39Å; I241-T248 HydrophobicContact CB-CG2 4.46Å; I241-T248 HydrophobicContact CG2-CG2 4.06Å; I242-T248 HydrophobicContact CD1-CG2 4.37Å; I242-T248 HydrophobicContact CG1-CG2 4.03Å
249S97.4Very high96Very high7 Ų763 Ų635%0.04931%0.31CS..  trans-156.4-64.3178.164.70000113.5M32 A36 K245 A251 I252 G253M32-S249 WeakPolarHBondContact O-CB 3.44Å; A36-S249 VanDerWaalsContact CB-O 3.24Å; A36-S249 WeakPolarHBondContact CB-O 3.44Å; K245-S249 PolarHBondContact NZ-OG 3.12Å; S249-A251 PolarHBondContact O-N 3.16Å; S249-I252 WeakPolarHBondContact O-CG2 3.25Å; S249-I252 PolarHBondContact O-N 3.26Å; S249-G253 PolarHBondContact O-N 3.49Å
250W98.2Very high96.4Very high164 Ų16457.7 Ų57.762%0.62129%0.29SS*.Hα-helixtrans-62.3-50.3-165.9-52.7134.4000114.2A36 K245 I252 G253 L254A36-W250 HydrophobicContact CB-CE3 3.97Å; A36-W250 HydrophobicContact CB-CZ3 4.26Å; K245-W250 VanDerWaalsContact NZ-CD1 3.28Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 3.2Å; W250-G253 PolarHBondContact O-N 3.45Å; W250-L254 WeakPolarHBondContact O-CG 3.17Å; W250-L254 PolarHBondContact O-N 2.97Å
251A98Very high96.6Very high46 Ų4657.8 Ų57.838%0.3829%0.29SS..Hα-helixtrans-65.6-37.7-177.700000112.4L165 S249 L254 T255L165-A251 HydrophobicContact CD1-CB 3.62Å; L165-A251 HydrophobicContact CD2-CB 4.4Å; S249-A251 PolarHBondContact O-N 3.16Å; A251-L254 PolarHBondContact O-N 2.84Å; A251-T255 PolarHBondContact O-N 2.92Å; A251-T255 PolarHBondContact O-OG1 2.7Å
252I98Very high96.8Very high17 Ų1754.8 Ų54.89%0.08728%0.275CS..Hα-helixtrans-72.5-33.1175.1-173.160.7000111.9V33 V136 T161 L165 S249 W250 T255 C256V33-I252 HydrophobicContact CB-CG2 4.4Å; V33-I252 HydrophobicContact CG1-CG1 4.18Å; V33-I252 HydrophobicContact CG1-CG2 3.85Å; V33-I252 HydrophobicContact CG2-CG2 4.03Å; V136-I252 HydrophobicContact CG1-CD1 3.86Å; V136-I252 HydrophobicContact CG1-CG1 3.56Å; T161-I252 HydrophobicContact CG2-CD1 4.48Å; L165-I252 HydrophobicContact CD2-CB 4.09Å; L165-I252 HydrophobicContact CD2-CD1 4.38Å; S249-I252 WeakPolarHBondContact O-CG2 3.25Å; S249-I252 PolarHBondContact O-N 3.26Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 3.2Å; I252-T255 HydrophobicContact CD1-CG2 4.23Å; I252-T255 WeakPolarHBondContact O-CB 3.32Å; I252-T255 PolarHBondContact O-N 3.29Å; I252-C256 PolarHBondContact O-N 3.32Å; I252-C256 PolarHBondContact O-SG 2.81Å
253G98.5Very high97.1Very high0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-61.3-44.4171.400000112.8S40 S249 W250 T255 C256 R257S40-G253 WeakPolarHBondContact CB-O 3.2Å; S249-G253 PolarHBondContact O-N 3.49Å; W250-G253 PolarHBondContact O-N 3.45Å; G253-T255 VanDerWaalsContact C-N 3.34Å; G253-C256 WeakPolarHBondContact O-CB 3.32Å; G253-C256 PolarHBondContact O-N 2.9Å; G253-R257 PolarHBondContact O-N 3.27Å
254L98.6Very high97.3Very high90 Ų9044.9 Ų44.947%0.47124%0.235SC..Hα-helixtrans-67.1-33174.2-69.5173.6000112.9W250 A251 R257 S258W250-L254 WeakPolarHBondContact O-CG 3.17Å; W250-L254 PolarHBondContact O-N 2.97Å; A251-L254 PolarHBondContact O-N 2.84Å; L254-R257 PolarHBondContact O-N 3.16Å; L254-S258 PolarHBondContact O-N 2.94Å; L254-S258 PolarHBondContact O-OG 3.42Å
255T98.7Very high97.4Very high9 Ų942.4 Ų42.46%0.05522%0.223CC..Hα-helixtrans-61.6-48.3171.6-590000110.3M164 A251 I252 G253 R257 S258 L259M164-T255 HydrophobicContact CB-CG2 3.96Å; M164-T255 HydrophobicContact CE-CG2 4.12Å; M164-T255 HydrophobicContact CG-CG2 3.75Å; M164-T255 HydrophobicContact SD-CG2 3.61Å; A251-T255 PolarHBondContact O-N 2.92Å; A251-T255 PolarHBondContact O-OG1 2.7Å; I252-T255 HydrophobicContact CD1-CG2 4.23Å; I252-T255 WeakPolarHBondContact O-CB 3.32Å; I252-T255 PolarHBondContact O-N 3.29Å; G253-T255 VanDerWaalsContact C-N 3.34Å; T255-R257 PolarHBondContact O-N 3.34Å; T255-S258 PolarHBondContact O-N 3.49Å; T255-L259 PolarHBondContact O-N 2.95Å
256C98.7Very high97.5Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-60.1-44.4176.2-64.80000111.9A37 I252 G253 S258 L259 C260A37-C256 HydrophobicContact CB-CB 3.89Å; I252-C256 PolarHBondContact O-N 3.32Å; I252-C256 PolarHBondContact O-SG 2.81Å; G253-C256 WeakPolarHBondContact O-CB 3.32Å; G253-C256 PolarHBondContact O-N 2.9Å; C256-S258 PolarHBondContact O-N 2.88Å; C256-L259 PolarHBondContact O-N 3.46Å; C256-C260 VanDerWaalsContact O-CB 3.3Å; C256-C260 WeakPolarHBondContact O-CB 3.26Å; C256-C260 PolarHBondContact O-N 2.99Å; C256-C260 PolarHBondContact O-SG 3.5Å
257R98.4Very high97.7Very high88 Ų8843.5 Ų43.533%0.33222%0.22SC..Hα-helixtrans-57-47.5174.6177.1-169.9173.9-164.80.7111.7S40 T41 I44 G253 L254 T255 C260 N261S40-R257 VanDerWaalsContact O-CD 3.29Å; S40-R257 WeakPolarHBondContact O-CD 3.44Å; S40-R257 WeakPolarHBondContact O-CG 3.4Å; T41-R257 HydrophobicContact CG2-CB 4.43Å; I44-R257 HydrophobicContact CD1-CG 3.97Å; I44-R257 VanDerWaalsContact CD1-O 3.29Å; I44-R257 WeakPolarHBondContact CD1-O 3.47Å; I44-R257 HydrophobicContact CG1-CG 4.46Å; I44-R257 HydrophobicContact CG2-CG 4.47Å; G253-R257 PolarHBondContact O-N 3.27Å; L254-R257 PolarHBondContact O-N 3.16Å; T255-R257 PolarHBondContact O-N 3.34Å; R257-C260 PolarHBondContact O-N 2.92Å; R257-N261 VanDerWaalsContact O-CB 3.25Å; R257-N261 WeakPolarHBondContact O-CB 3.36Å; R257-N261 PolarHBondContact O-N 3.49Å
258S98.5Very high98Very high49 Ų4945.1 Ų45.134%0.34323%0.23SC..Hα-helixtrans-63.1-46-177.4-59.20000111.6L254 T255 C256 N261 A262L254-S258 PolarHBondContact O-N 2.94Å; L254-S258 PolarHBondContact O-OG 3.42Å; T255-S258 PolarHBondContact O-N 3.49Å; C256-S258 PolarHBondContact O-N 2.88Å; S258-N261 PolarHBondContact O-N 2.99Å; S258-A262 PolarHBondContact O-N 2.87Å; S258-A262 VanDerWaalsContact O-N 3.13Å
259L98.7Very high98.2Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-63.5-48.2175.9178.857.3000111.9V134 I159 M164 T255 C256 N261 A262 L263 Y271 L273 V295V134-L259 HydrophobicContact CG1-CD2 3.69Å; V134-L259 HydrophobicContact CG2-CD2 4.05Å; I159-L259 HydrophobicContact CG2-CD2 4.39Å; M164-L259 HydrophobicContact SD-CB 4.3Å; T255-L259 PolarHBondContact O-N 2.95Å; C256-L259 PolarHBondContact O-N 3.46Å; L259-N261 VanDerWaalsContact C-N 3.27Å; L259-N261 PolarHBondContact O-N 3.22Å; L259-A262 PolarHBondContact O-N 2.97Å; L259-L263 HydrophobicContact CD1-CD1 4.25Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.91Å; L259-Y271 HydrophobicContact CD1-CD2 4.31Å; L259-L273 HydrophobicContact CD1-CD1 3.86Å; L259-L273 HydrophobicContact CD1-CD2 4.33Å; L259-L273 HydrophobicContact CD2-CD2 4.03Å; L259-V295 HydrophobicContact CD1-CG1 4.04Å; L259-V295 HydrophobicContact CD1-CG2 4.12Å
260C98.6Very high98.3Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-61.2-37.3177.6-67.20000111.7T41 I44 I91 C256 R257 A262 L263 L264T41-C260 HydrophobicContact CG2-CB 4.13Å; I44-C260 HydrophobicContact CD1-CB 3.99Å; I91-C260 HydrophobicContact CD1-CB 4.03Å; C256-C260 VanDerWaalsContact O-CB 3.3Å; C256-C260 WeakPolarHBondContact O-CB 3.26Å; C256-C260 PolarHBondContact O-N 2.99Å; C256-C260 PolarHBondContact O-SG 3.5Å; R257-C260 PolarHBondContact O-N 2.92Å; C260-A262 PolarHBondContact O-N 3.44Å; C260-L263 PolarHBondContact O-N 3.05Å; C260-L264 WeakPolarHBondContact O-CB 3.4Å; C260-L264 VanDerWaalsContact O-CG 3.27Å; C260-L264 WeakPolarHBondContact O-CG 3.23Å; C260-L264 PolarHBondContact O-N 2.97Å
261N98.2Very high98.3Very high51 Ų5141.2 Ų41.227%0.27322%0.22SC..Hα-helixtrans-62.8-43.5177-168.339.7000111.8I44 R257 S258 L259 L263 N265 L267I44-N261 HydrophobicContact CD1-CB 3.71Å; R257-N261 VanDerWaalsContact O-CB 3.25Å; R257-N261 WeakPolarHBondContact O-CB 3.36Å; R257-N261 PolarHBondContact O-N 3.49Å; S258-N261 PolarHBondContact O-N 2.99Å; L259-N261 VanDerWaalsContact C-N 3.27Å; L259-N261 PolarHBondContact O-N 3.22Å; N261-L263 VanDerWaalsContact C-N 3.34Å; N261-N265 WeakPolarHBondContact O-CB 3.17Å; N261-N265 PolarHBondContact O-N 3.44Å; N261-N265 PolarHBondContact O-ND2 3.31Å; N261-N265 PolarHBondContact OD1-ND2 2.99Å; N261-L267 WeakPolarHBondContact ND2-CD1 3.41Å
262A98.5Very high98.3Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-63.8-39.8177.400000112.6S258 L259 C260 N266 L267 Y271 V295S258-A262 PolarHBondContact O-N 2.87Å; S258-A262 VanDerWaalsContact O-N 3.13Å; L259-A262 PolarHBondContact O-N 2.97Å; C260-A262 PolarHBondContact O-N 3.44Å; A262-N266 WeakPolarHBondContact O-CA 3.32Å; A262-N266 PolarHBondContact O-N 3.32Å; A262-N266 VanDerWaalsContact O-N 3.12Å; A262-L267 HydrophobicContact CB-CB 4.29Å; A262-L267 HydrophobicContact CB-CD1 4.48Å; A262-L267 PolarHBondContact O-N 2.93Å; A262-Y271 HydrophobicContact CB-CE2 3.79Å; A262-V295 HydrophobicContact CB-CB 4.38Å; A262-V295 HydrophobicContact CB-CG1 3.98Å
263L98.5Very high98.4Very high6 Ų638.4 Ų38.43%0.03120%0.199CC..Hα-helixtrans-67.1-53.3176-68.1171000111.7I91 I132 V134 I159 L259 C260 N261 N265 V295 T296 S297I91-L263 HydrophobicContact CD1-CB 3.53Å; I91-L263 HydrophobicContact CD1-CD1 3.82Å; I91-L263 HydrophobicContact CD1-CG 4.33Å; I91-L263 HydrophobicContact CG1-CB 4.4Å; I91-L263 HydrophobicContact CG1-CD1 4.35Å; I91-L263 HydrophobicContact CG2-CD1 4.48Å; I132-L263 HydrophobicContact CD1-CD2 3.85Å; I132-L263 HydrophobicContact CG2-CD1 4.12Å; I132-L263 HydrophobicContact CG2-CD2 4.38Å; V134-L263 HydrophobicContact CG2-CD1 3.98Å; I159-L263 HydrophobicContact CD1-CD2 4.23Å; L259-L263 HydrophobicContact CD1-CD1 4.25Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.19Å; L259-L263 PolarHBondContact O-N 2.91Å; C260-L263 PolarHBondContact O-N 3.05Å; N261-L263 VanDerWaalsContact C-N 3.34Å; L263-N265 PolarHBondContact O-N 3.21Å; L263-V295 HydrophobicContact CD2-CG1 3.41Å; L263-V295 VanDerWaalsContact CD2-CG1 3.41Å; L263-V295 HydrophobicContact CG-CG1 3.78Å; L263-T296 WeakPolarHBondContact CD2-O 3.35Å; L263-S297 WeakPolarHBondContact O-CA 3.41Å; L263-S297 WeakPolarHBondContact O-CB 3.19Å
264L97.6Very high98.4Very high38 Ų3838.4 Ų38.420%0.19920%0.199CC..Hα-helixtrans-65.3-40-176.2-68.8-179.9000112.8V25 D90 I91 C260V25-L264 HydrophobicContact CG2-CD1 4.01Å; D90-L264 HydrophobicContact CB-CD2 3.91Å; I91-L264 HydrophobicContact CD1-CD1 4.48Å; I91-L264 HydrophobicContact CD1-CD2 3.63Å; I91-L264 HydrophobicContact CD1-CG 3.65Å; I91-L264 HydrophobicContact CG1-CD2 4.07Å; C260-L264 WeakPolarHBondContact O-CB 3.4Å; C260-L264 VanDerWaalsContact O-CG 3.27Å; C260-L264 WeakPolarHBondContact O-CG 3.23Å; C260-L264 PolarHBondContact O-N 2.97Å
265N97Very high98.3Very high91 Ų9134.2 Ų34.249%0.48718%0.177SC..THydrogen-bonded Turntrans-101.69.4-173.4-65.3-67.5000113.7N261 L263 L267N261-N265 WeakPolarHBondContact O-CB 3.17Å; N261-N265 PolarHBondContact O-N 3.44Å; N261-N265 PolarHBondContact O-ND2 3.31Å; N261-N265 PolarHBondContact OD1-ND2 2.99Å; L263-N265 PolarHBondContact O-N 3.21Å; N265-L267 HydrophobicContact CB-CD2 3.72Å; N265-L267 HydrophobicContact CB-CG 3.98Å; N265-L267 PolarHBondContact O-N 3.22Å
266N97.9Very high98.3Very high65 Ų6535.7 Ų35.735%0.34819%0.187SC..THydrogen-bonded Turntrans48.853.8179.6-165.233.2000112.5A262 H268 T296 S297A262-N266 WeakPolarHBondContact O-CA 3.32Å; A262-N266 PolarHBondContact O-N 3.32Å; A262-N266 VanDerWaalsContact O-N 3.12Å; N266-H268 VanDerWaalsContact C-N 3.32Å; N266-H268 PolarHBondContact ND2-NE2 2.87Å; N266-H268 PolarHBondContact O-CD2 3.44Å; N266-H268 PolarHBondContact O-N 3.43Å; N266-H268 PolarHBondContact OD1-NE2 2.93Å; N266-T296 WeakPolarHBondContact OD1-CA 3.3Å; N266-T296 VanDerWaalsContact OD1-CB 3.29Å; N266-T296 WeakPolarHBondContact OD1-CB 3.43Å; N266-S297 PolarHBondContact OD1-N 3.38Å; N266-S297 PolarHBondContact OD1-OG 3.27Å
267L98.1Very high98.2Very high79 Ų7935.7 Ų35.741%0.41419%0.187SC..  trans-79.2-9.7-169.6-60.7-177.7000114.7N261 A262 N265 T269N261-L267 WeakPolarHBondContact ND2-CD1 3.41Å; A262-L267 HydrophobicContact CB-CB 4.29Å; A262-L267 HydrophobicContact CB-CD1 4.48Å; A262-L267 PolarHBondContact O-N 2.93Å; N265-L267 HydrophobicContact CB-CD2 3.72Å; N265-L267 HydrophobicContact CB-CG 3.98Å; N265-L267 PolarHBondContact O-N 3.22Å; L267-T269 WeakPolarHBondContact CB-OG1 3.4Å; L267-T269 PolarHBondContact O-N 3.27Å
268H98.2Very high98.2Very high106 Ų10637.8 Ų37.849%0.49120%0.198SC..  trans54.749.1-176.1-66.3-100.7000112.5N266 L294 V295 T296N266-H268 VanDerWaalsContact C-N 3.32Å; N266-H268 PolarHBondContact ND2-NE2 2.87Å; N266-H268 PolarHBondContact O-CD2 3.44Å; N266-H268 PolarHBondContact O-N 3.43Å; N266-H268 PolarHBondContact OD1-NE2 2.93Å; H268-L294 VanDerWaalsContact C-CD1 3.45Å; H268-L294 HydrophobicContact CB-CD1 4.15Å; H268-L294 VanDerWaalsContact O-CD1 3.3Å; H268-L294 WeakPolarHBondContact O-CD1 3.37Å; H268-V295 WeakPolarHBondContact CA-O 3.43Å; H268-V295 PolarHBondContact N-O 2.99Å; H268-T296 WeakPolarHBondContact ND1-CG2 3.43Å
269T98.3Very high98.1Very high42 Ų4238.3 Ų38.326%0.25821%0.211SC..EExtended strand (participates in β ladder)trans-101.5141-175.1-48.20000111.7L267 Y271 V295L267-T269 WeakPolarHBondContact CB-OG1 3.4Å; L267-T269 PolarHBondContact O-N 3.27Å; T269-Y271 HydrophobicContact CG2-CD1 4.49Å; T269-Y271 HydrophobicContact CG2-CD2 4.41Å; T269-Y271 HydrophobicContact CG2-CE1 3.82Å; T269-Y271 HydrophobicContact CG2-CE2 3.74Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.4Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.46Å; T269-V295 PolarHBondContact N-O 2.83Å; T269-V295 WeakPolarHBondContact O-CB 3.46Å; T269-V295 PolarHBondContact O-N 2.83Å
270V98.5Very high98Very high46 Ų4639.7 Ų39.728%0.27922%0.218SC..EExtended strand (participates in β ladder)trans-90.9125.3177.3-1790000111.5P292 C293 L294 I304V270-P292 HydrophobicContact CG1-CB 3.91Å; V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.21Å; V270-L294 HydrophobicContact CG2-CD1 4.09Å; V270-I304 HydrophobicContact CG1-CD1 4Å; V270-I304 HydrophobicContact CG2-CD1 3.68Å
271Y98.6Very high97.9Very high42 Ų4241.7 Ų41.717%0.16523%0.228CC..EExtended strand (participates in β ladder)trans-133.9147.5174.8-61.8-61.1000111.5M164 L259 A262 T269 L273 C293 V295M164-Y271 HydrophobicContact CE-CD1 3.48Å; M164-Y271 VanDerWaalsContact CE-CD1 3.48Å; M164-Y271 HydrophobicContact CE-CD2 4.33Å; M164-Y271 HydrophobicContact CE-CE1 3.47Å; M164-Y271 VanDerWaalsContact CE-CE1 3.47Å; M164-Y271 HydrophobicContact CE-CE2 4.31Å; M164-Y271 HydrophobicContact CE-CG 3.93Å; M164-Y271 HydrophobicContact CG-CD1 4.34Å; M164-Y271 HydrophobicContact SD-CD1 4.01Å; M164-Y271 HydrophobicContact SD-CD2 4.47Å; M164-Y271 HydrophobicContact SD-CG 3.96Å; L259-Y271 HydrophobicContact CD1-CD2 4.31Å; A262-Y271 HydrophobicContact CB-CE2 3.79Å; T269-Y271 HydrophobicContact CG2-CD1 4.49Å; T269-Y271 HydrophobicContact CG2-CD2 4.41Å; T269-Y271 HydrophobicContact CG2-CE1 3.82Å; T269-Y271 HydrophobicContact CG2-CE2 3.74Å; T269-Y271 VanDerWaalsContact CG2-CZ 3.4Å; T269-Y271 WeakPolarHBondContact CG2-OH 3.46Å; Y271-L273 PolarHBondContact O-N 3.21Å; Y271-C293 PolarHBondContact N-O 2.99Å; Y271-C293 PolarHBondContact O-N 3.09Å; Y271-V295 HydrophobicContact CD2-CB 4.36Å; Y271-V295 HydrophobicContact CD2-CG2 3.87Å
272P98.4Very high97.8Very high5 Ų541.4 Ų41.43%0.03224%0.237CC..EExtended strand (participates in β ladder)trans-81.2106.5171.634.3-30.6000108.9M164 S167 Y188 L291M164-P272 WeakPolarHBondContact CA-O 3.31Å; M164-P272 PolarHBondContact N-O 3.44Å; M164-P272 VanDerWaalsContact N-O 3.09Å; S167-P272 VanDerWaalsContact OG-CG 3.26Å; S167-P272 WeakPolarHBondContact OG-CG 3.09Å; Y188-P272 HydrophobicContact CD1-CB 4.02Å; Y188-P272 HydrophobicContact CD1-CG 3.79Å; Y188-P272 HydrophobicContact CE1-CG 4.22Å; P272-L291 WeakPolarHBondContact CA-O 3.19Å
273L98.8Very high97.7Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-129.5150.1-169.7-65.9168.4000110.1I159 M164 L259 Y271 V275 S290 L291 C293 V295 I300I159-L273 HydrophobicContact CG2-CB 4.01Å; I159-L273 HydrophobicContact CG2-CD1 3.83Å; I159-L273 HydrophobicContact CG2-CD2 4.23Å; I159-L273 HydrophobicContact CG2-CG 4.25Å; M164-L273 HydrophobicContact CB-CD2 4.22Å; M164-L273 HydrophobicContact SD-CD2 4.06Å; L259-L273 HydrophobicContact CD1-CD1 3.86Å; L259-L273 HydrophobicContact CD1-CD2 4.33Å; L259-L273 HydrophobicContact CD2-CD2 4.03Å; Y271-L273 PolarHBondContact O-N 3.21Å; L273-V275 HydrophobicContact CB-CG1 4.39Å; L273-V275 PolarHBondContact O-N 3.09Å; L273-S290 VanDerWaalsContact O-CA 3.25Å; L273-S290 WeakPolarHBondContact O-CA 3.49Å; L273-L291 PolarHBondContact N-O 2.97Å; L273-L291 VanDerWaalsContact N-O 3.08Å; L273-L291 PolarHBondContact O-N 3.4Å; L273-C293 HydrophobicContact CD1-CB 4.45Å; L273-V295 HydrophobicContact CD1-CG2 3.48Å; L273-V295 VanDerWaalsContact CD1-CG2 3.48Å; L273-I300 HydrophobicContact CD1-CD1 3.84Å
274S98.7Very high97.6Very high0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-74.5118.6177.1-166.60000110.7D141 G160D141-S274 WeakPolarHBondContact CA-OG 3.5Å; D141-S274 WeakPolarHBondContact OD1-CB 3.45Å; D141-S274 PolarHBondContact OD1-OG 2.93Å; G160-S274 PolarHBondContact N-O 3.41Å; G160-S274 PolarHBondContact O-N 3.03Å
275V98.3Very high97.5Very high2 Ų248.1 Ų48.11%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-145.9161.1-169.3-68.80000109.5L273 V277 Y288 L289 L291 C293 I300 L303L273-V275 HydrophobicContact CB-CG1 4.39Å; L273-V275 PolarHBondContact O-N 3.09Å; V275-V277 HydrophobicContact CG2-CG1 4.31Å; V275-V277 WeakPolarHBondContact O-CG1 3.48Å; V275-V277 PolarHBondContact O-N 2.78Å; V275-Y288 VanDerWaalsContact C-CD1 3.43Å; V275-Y288 VanDerWaalsContact O-CA 3.26Å; V275-Y288 WeakPolarHBondContact O-CA 3.48Å; V275-L289 PolarHBondContact N-O 3.01Å; V275-L289 PolarHBondContact O-N 3.44Å; V275-L289 VanDerWaalsContact O-N 3.11Å; V275-L291 HydrophobicContact CG2-CB 4.46Å; V275-C293 VanDerWaalsContact CG1-SG 3.51Å; V275-I300 HydrophobicContact CG1-CD1 4.34Å; V275-I300 HydrophobicContact CG1-CG1 3.93Å; V275-L303 HydrophobicContact CB-CD2 4.05Å; V275-L303 HydrophobicContact CG1-CD2 4.34Å; V275-L303 HydrophobicContact CG2-CD2 3.52Å
276P97.7Very high97.4Very high40 Ų4046.5 Ų46.526%0.2626%0.262SS..EExtended strand (participates in β ladder)trans-66.6132.5174.630.6-36.4000110.1A155 Y288A155-P276 HydrophobicContact CB-CG 3.92Å; P276-Y288 HydrophobicContact CB-CD2 4.3Å; P276-Y288 HydrophobicContact CB-CE2 3.82Å; P276-Y288 VanDerWaalsContact CD-CE1 3.49Å; P276-Y288 HydrophobicContact CG-CE2 4.47Å
277V97.4Very high97.4Very high0 Ų043.4 Ų43.40%025%0.246CC..  trans-118.25.2-175.5-61.10000114.1V275 G279 I280 I283 V287 L289 L291V275-V277 HydrophobicContact CG2-CG1 4.31Å; V275-V277 WeakPolarHBondContact O-CG1 3.48Å; V275-V277 PolarHBondContact O-N 2.78Å; V277-G279 PolarHBondContact O-N 3.06Å; V277-I280 WeakPolarHBondContact O-CB 3.47Å; V277-I280 PolarHBondContact O-N 3.23Å; V277-I283 HydrophobicContact CG2-CD1 4.06Å; V277-I283 HydrophobicContact CG2-CG2 4.04Å; V277-V287 HydrophobicContact CG2-CG2 3.76Å; V277-V287 PolarHBondContact N-O 2.53Å; V277-L289 HydrophobicContact CB-CD1 4.06Å; V277-L289 HydrophobicContact CB-CG 4.23Å; V277-L289 HydrophobicContact CG1-CD1 3.64Å; V277-L289 HydrophobicContact CG1-CG 3.84Å; V277-L289 HydrophobicContact CG2-CD1 3.66Å; V277-L289 HydrophobicContact CG2-CD2 3.78Å; V277-L289 HydrophobicContact CG2-CG 3.47Å; V277-L289 VanDerWaalsContact CG2-CG 3.47Å; V277-L291 HydrophobicContact CB-CD1 4.23Å; V277-L291 HydrophobicContact CG1-CD1 3.56Å; V277-L291 HydrophobicContact CG1-CG 3.96Å
278K97Very high97.4Very high132 Ų13239.9 Ų39.957%0.57423%0.227SC*.THydrogen-bonded Turntrans-54.9128.2-180-178169.2177.2166.80110.7N284 E285K278-N284 WeakPolarHBondContact CD-O 3.25Å; K278-N284 WeakPolarHBondContact CE-O 3.45Å; K278-N284 WeakPolarHBondContact CG-O 3.35Å; K278-E285 WeakPolarHBondContact CB-O 3.33Å
279G96.7Very high97.3Very high60 Ų6034.8 Ų34.862%0.61920%0.203SC*.THydrogen-bonded Turntrans89.7-5.1-176.100000114.7V277 I283V277-G279 PolarHBondContact O-N 3.06Å; G279-I283 PolarHBondContact N-O 2.96Å
280I96.5Very high97.4Very high28 Ų2832.8 Ų32.814%0.14419%0.191CC..SBendtrans-102.8138.8-178.8-54.7178.4000109.6V277 G282 I283 L291 L303 P305V277-I280 WeakPolarHBondContact O-CB 3.47Å; V277-I280 PolarHBondContact O-N 3.23Å; I280-G282 PolarHBondContact O-N 3.14Å; I280-I283 WeakPolarHBondContact O-CB 3.4Å; I280-I283 PolarHBondContact O-N 2.93Å; I280-L291 HydrophobicContact CB-CD1 4.49Å; I280-L291 HydrophobicContact CD1-CD1 4.19Å; I280-L291 HydrophobicContact CG2-CD1 3.94Å; I280-L303 HydrophobicContact CD1-CB 4.24Å; I280-L303 HydrophobicContact CD1-CD1 3.37Å; I280-L303 HydrophobicContact CD1-CG 4.43Å; I280-P305 HydrophobicContact CG2-CB 3.85Å; I280-P305 HydrophobicContact CG2-CG 3.81Å
281H96.5Very high97.3Very high42 Ų4230.7 Ų30.719%0.19418%0.178CC..THydrogen-bonded Turntrans5424.5179.2-66.9-52.5000114.4I283 P306 L313 L316 R317H281-I283 VanDerWaalsContact C-N 3.33Å; H281-P306 PolarHBondContact CE1-O 3.18Å; H281-L313 HydrophobicContact CB-CD1 3.64Å; H281-L316 HydrophobicContact CB-CD2 4.13Å; H281-R317 VanDerWaalsContact O-CZ 3.28Å; H281-R317 PolarHBondContact O-NE 2.8Å; H281-R317 PolarHBondContact O-NH2 2.94Å
282G95.5Very high97.3Very high46 Ų4628.9 Ų28.947%0.47417%0.172SC..THydrogen-bonded Turntrans76.613.3-178.400000115I280I280-G282 PolarHBondContact O-N 3.14Å
283I97Very high97.3Very high3 Ų328.7 Ų28.72%0.01517%0.17CC..  trans-80123.2173.3-61166000108.2V277 G279 I280 H281 E285 V287 L289 L316 R317 A320V277-I283 HydrophobicContact CG2-CD1 4.06Å; V277-I283 HydrophobicContact CG2-CG2 4.04Å; G279-I283 PolarHBondContact N-O 2.96Å; I280-I283 WeakPolarHBondContact O-CB 3.4Å; I280-I283 PolarHBondContact O-N 2.93Å; H281-I283 VanDerWaalsContact C-N 3.33Å; I283-E285 WeakPolarHBondContact CG2-OE2 3.24Å; I283-V287 HydrophobicContact CG2-CG2 3.88Å; I283-L289 HydrophobicContact CD1-CD1 4.2Å; I283-L316 HydrophobicContact CD1-CD2 4.45Å; I283-L316 HydrophobicContact CD1-CG 4.28Å; I283-R317 HydrophobicContact CG1-CG 4.32Å; I283-A320 HydrophobicContact CD1-CB 3.85Å; I283-A320 HydrophobicContact CG1-CB 3.98Å; I283-A320 HydrophobicContact CG2-CB 3.84Å
284N96.5Very high97.3Very high113 Ų11330.4 Ų30.460%0.60418%0.179SC*.  trans-108.4-15-176.7-68.1-52.9000112.9K278K278-N284 WeakPolarHBondContact CD-O 3.25Å; K278-N284 WeakPolarHBondContact CE-O 3.45Å; K278-N284 WeakPolarHBondContact CG-O 3.35Å
285E95.3Very high97.3Very high69 Ų6930.4 Ų30.432%0.32218%0.179SC..SBendtrans-71146.6180-5975.4-169.100110.6K278 I283 V287 N324K278-E285 WeakPolarHBondContact CB-O 3.33Å; I283-E285 WeakPolarHBondContact CG2-OE2 3.24Å; E285-V287 HydrophobicContact CB-CG1 3.83Å; E285-V287 HydrophobicContact CB-CG2 4.37Å; E285-V287 PolarHBondContact O-N 2.81Å; E285-N324 HydrophobicContact CB-CB 4.02Å; E285-N324 HydrophobicContact CG-CB 3.91Å
286D95.9Very high97.3Very high57 Ų5730.7 Ų30.731%0.30518%0.181SC..  trans-80.675.5173.7-173.324.1000109.5Y145 K149Y145-D286 WeakPolarHBondContact CE2-O 3.29Å; K149-D286 WeakPolarHBondContact CE-OD2 3.49Å; K149-D286 IonicContact NZ-OD2 3.06Å; K149-D286 PolarHBondContact NZ-OD2 3.36Å
287V97.1Very high97.3Very high0 Ų032 Ų320%019%0.192CC..  trans-120.5154.5-177.8-620000111.7V277 I283 E285 L289 A320 L323 N324 I327V277-V287 HydrophobicContact CG2-CG2 3.76Å; V277-V287 PolarHBondContact N-O 2.53Å; I283-V287 HydrophobicContact CG2-CG2 3.88Å; E285-V287 HydrophobicContact CB-CG1 3.83Å; E285-V287 HydrophobicContact CB-CG2 4.37Å; E285-V287 PolarHBondContact O-N 2.81Å; V287-L289 HydrophobicContact CB-CD2 4.37Å; V287-L289 HydrophobicContact CG2-CD2 3.59Å; V287-A320 HydrophobicContact CG2-CB 4.1Å; V287-L323 HydrophobicContact CG1-CB 4.5Å; V287-N324 HydrophobicContact CG1-CB 3.69Å; V287-I327 HydrophobicContact CB-CD1 4.44Å; V287-I327 HydrophobicContact CG1-CD1 4.01Å
288Y98.2Very high97.3Very high4 Ų434.8 Ų34.82%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-104.5135.3170.7-85.7-117.3000108.9D141 T144 Y145 R148 V275 P276 L323D141-Y288 WeakPolarHBondContact CB-O 3.47Å; D141-Y288 WeakPolarHBondContact O-CB 3.37Å; T144-Y288 HydrophobicContact CG2-CD1 3.38Å; T144-Y288 HydrophobicContact CG2-CE1 3.54Å; T144-Y288 HydrophobicContact CG2-CG 4.39Å; Y145-Y288 HydrophobicContact CD2-CD2 4.08Å; Y145-Y288 HydrophobicContact CD2-CE2 4.34Å; Y145-Y288 HydrophobicContact CG-CD2 4.47Å; R148-Y288 HydrophobicContact CB-CE2 4.44Å; R148-Y288 HydrophobicContact CG-CE2 4.47Å; R148-Y288 VanDerWaalsContact CG-OH 3.27Å; R148-Y288 WeakPolarHBondContact CG-OH 3.21Å; V275-Y288 VanDerWaalsContact C-CD1 3.43Å; V275-Y288 VanDerWaalsContact O-CA 3.26Å; V275-Y288 WeakPolarHBondContact O-CA 3.48Å; P276-Y288 HydrophobicContact CB-CD2 4.3Å; P276-Y288 HydrophobicContact CB-CE2 3.82Å; P276-Y288 VanDerWaalsContact CD-CE1 3.49Å; P276-Y288 HydrophobicContact CG-CE2 4.47Å; Y288-L323 WeakPolarHBondContact O-CD1 3.22Å
289L97.3Very high97.4Very high0 Ų028.5 Ų28.50%018%0.183CC..EExtended strand (participates in β ladder)trans-161.5165.517341.4105.3000110V275 V277 I283 V287 L291 L316 A320 L323V275-L289 PolarHBondContact N-O 3.01Å; V275-L289 PolarHBondContact O-N 3.44Å; V275-L289 VanDerWaalsContact O-N 3.11Å; V277-L289 HydrophobicContact CB-CD1 4.06Å; V277-L289 HydrophobicContact CB-CG 4.23Å; V277-L289 HydrophobicContact CG1-CD1 3.64Å; V277-L289 HydrophobicContact CG1-CG 3.84Å; V277-L289 HydrophobicContact CG2-CD1 3.66Å; V277-L289 HydrophobicContact CG2-CD2 3.78Å; V277-L289 HydrophobicContact CG2-CG 3.47Å; V277-L289 VanDerWaalsContact CG2-CG 3.47Å; I283-L289 HydrophobicContact CD1-CD1 4.2Å; V287-L289 HydrophobicContact CB-CD2 4.37Å; V287-L289 HydrophobicContact CG2-CD2 3.59Å; L289-L291 PolarHBondContact O-N 2.7Å; L289-L316 HydrophobicContact CD1-CD1 3.75Å; L289-L316 HydrophobicContact CD1-CG 4.44Å; L289-A320 HydrophobicContact CD2-CB 3.6Å; L289-L323 HydrophobicContact CB-CD1 4.12Å; L289-L323 HydrophobicContact CD2-CD1 4.11Å
290S98.5Very high97.5Very high0 Ų026.5 Ų26.50%016%0.158CC..EExtended strand (participates in β ladder)trans-79.1124.5-168.9-57.40000112.1G162 T163 I190 G191 L273G162-S290 WeakPolarHBondContact CA-OG 3.33Å; T163-S290 PolarHBondContact N-OG 3.07Å; T163-S290 WeakPolarHBondContact OG1-CB 3.3Å; T163-S290 PolarHBondContact OG1-OG 3.2Å; I190-S290 WeakPolarHBondContact CB-O 3.33Å; G191-S290 PolarHBondContact N-O 3.07Å; G191-S290 VanDerWaalsContact O-CB 3.28Å; G191-S290 WeakPolarHBondContact O-CB 3.42Å; G191-S290 PolarHBondContact O-N 3.39Å; G191-S290 PolarHBondContact O-OG 3.07Å; L273-S290 VanDerWaalsContact O-CA 3.25Å; L273-S290 WeakPolarHBondContact O-CA 3.49Å
291L98.3Very high97.6Very high1 Ų127 Ų271%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-134158.9167.9-70.5180000109.5I190 P272 L273 V275 V277 I280 L289 C293 L316I190-L291 HydrophobicContact CD1-CD2 4.12Å; P272-L291 WeakPolarHBondContact CA-O 3.19Å; L273-L291 PolarHBondContact N-O 2.97Å; L273-L291 VanDerWaalsContact N-O 3.08Å; L273-L291 PolarHBondContact O-N 3.4Å; V275-L291 HydrophobicContact CG2-CB 4.46Å; V277-L291 HydrophobicContact CB-CD1 4.23Å; V277-L291 HydrophobicContact CG1-CD1 3.56Å; V277-L291 HydrophobicContact CG1-CG 3.96Å; I280-L291 HydrophobicContact CB-CD1 4.49Å; I280-L291 HydrophobicContact CD1-CD1 4.19Å; I280-L291 HydrophobicContact CG2-CD1 3.94Å; L289-L291 PolarHBondContact O-N 2.7Å; L291-C293 PolarHBondContact O-N 3.33Å; L291-C293 PolarHBondContact O-SG 3.26Å; L291-L316 HydrophobicContact CD2-CD2 4.37Å
292P98.4Very high97.6Very high5 Ų530.7 Ų30.73%0.03218%0.181CC..EExtended strand (participates in β ladder)trans-61.2125.4172.2-20.433.1000111.2Y188 V270 I304Y188-P292 HydrophobicContact CD2-CG 4.2Å; Y188-P292 HydrophobicContact CE2-CG 4.38Å; Y188-P292 HydrophobicContact CG-CG 4.38Å; V270-P292 HydrophobicContact CG1-CB 3.91Å; P292-I304 HydrophobicContact CB-CB 4.27Å; P292-I304 PolarHBondContact O-N 2.97Å
293C98.5Very high97.7Very high0 Ų031.2 Ų31.20%017%0.173CC..EExtended strand (participates in β ladder)trans-129.2137.4-174.1-60.60000111V270 Y271 L273 V275 L291 V295 I300 H302 L303V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.21Å; Y271-C293 PolarHBondContact N-O 2.99Å; Y271-C293 PolarHBondContact O-N 3.09Å; L273-C293 HydrophobicContact CD1-CB 4.45Å; V275-C293 VanDerWaalsContact CG1-SG 3.51Å; L291-C293 PolarHBondContact O-N 3.33Å; L291-C293 PolarHBondContact O-SG 3.26Å; C293-V295 PolarHBondContact O-N 3.12Å; C293-I300 HydrophobicContact CB-CD1 3.94Å; C293-I300 HydrophobicContact CB-CG2 3.93Å; C293-H302 CarbonylContact C-O 3.56Å; C293-H302 WeakPolarHBondContact CA-O 3.24Å; C293-L303 HydrophobicContact CB-CD2 4.35Å; C293-L303 WeakPolarHBondContact SG-CD2 3.4Å
294L98.6Very high97.7Very high36 Ų3634.9 Ų34.919%0.18819%0.192CC..EExtended strand (participates in β ladder)trans-81.7110.6171.6-177.263.3000110.5H268 V270 T296 S301 H302H268-L294 VanDerWaalsContact C-CD1 3.45Å; H268-L294 HydrophobicContact CB-CD1 4.15Å; H268-L294 VanDerWaalsContact O-CD1 3.3Å; H268-L294 WeakPolarHBondContact O-CD1 3.37Å; V270-L294 HydrophobicContact CG2-CD1 4.09Å; L294-T296 HydrophobicContact CG-CG2 4.36Å; L294-S301 WeakPolarHBondContact CB-OG 3.36Å; L294-S301 WeakPolarHBondContact CD2-OG 3.15Å; L294-S301 VanDerWaalsContact CG-OG 3.29Å; L294-S301 WeakPolarHBondContact CG-OG 3.48Å; L294-S301 PolarHBondContact O-N 3.39Å; L294-S301 PolarHBondContact O-OG 3.46Å; L294-H302 HydrophobicContact CB-CB 4.08Å; L294-H302 PolarHBondContact N-O 3.13Å
295V98.7Very high97.7Very high0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-92.1127.3-179.4-1770000111.1L259 A262 L263 H268 T269 Y271 L273 C293 I300L259-V295 HydrophobicContact CD1-CG1 4.04Å; L259-V295 HydrophobicContact CD1-CG2 4.12Å; A262-V295 HydrophobicContact CB-CB 4.38Å; A262-V295 HydrophobicContact CB-CG1 3.98Å; L263-V295 HydrophobicContact CD2-CG1 3.41Å; L263-V295 VanDerWaalsContact CD2-CG1 3.41Å; L263-V295 HydrophobicContact CG-CG1 3.78Å; H268-V295 WeakPolarHBondContact CA-O 3.43Å; H268-V295 PolarHBondContact N-O 2.99Å; T269-V295 PolarHBondContact N-O 2.83Å; T269-V295 WeakPolarHBondContact O-CB 3.46Å; T269-V295 PolarHBondContact O-N 2.83Å; Y271-V295 HydrophobicContact CD2-CB 4.36Å; Y271-V295 HydrophobicContact CD2-CG2 3.87Å; L273-V295 HydrophobicContact CD1-CG2 3.48Å; L273-V295 VanDerWaalsContact CD1-CG2 3.48Å; C293-V295 PolarHBondContact O-N 3.12Å; V295-I300 HydrophobicContact CG2-CD1 4Å
296T98.5Very high97.7Very high9 Ų930.3 Ų30.36%0.05518%0.175CC..EExtended strand (participates in β ladder)trans-134179.917965.30000109.6L263 N266 H268 L294 S298 G299 S301L263-T296 WeakPolarHBondContact CD2-O 3.35Å; N266-T296 WeakPolarHBondContact OD1-CA 3.3Å; N266-T296 VanDerWaalsContact OD1-CB 3.29Å; N266-T296 WeakPolarHBondContact OD1-CB 3.43Å; H268-T296 WeakPolarHBondContact ND1-CG2 3.43Å; L294-T296 HydrophobicContact CG-CG2 4.36Å; T296-S298 PolarHBondContact O-N 3.02Å; T296-S298 VanDerWaalsContact O-N 3.16Å; T296-S298 PolarHBondContact OG1-N 2.63Å; T296-S298 PolarHBondContact OG1-OG 3.22Å; T296-G299 PolarHBondContact N-O 2.88Å; T296-G299 PolarHBondContact O-N 3.03Å; T296-G299 PolarHBondContact OG1-O 2.99Å; T296-S301 WeakPolarHBondContact CG2-OG 3.37Å
297S97.7Very high97.7Very high68 Ų6834.6 Ų34.648%0.47619%0.193SC..THydrogen-bonded Turntrans-65.9-13.6176.957.80000115.1L263 N266 G299L263-S297 WeakPolarHBondContact O-CA 3.41Å; L263-S297 WeakPolarHBondContact O-CB 3.19Å; N266-S297 PolarHBondContact OD1-N 3.38Å; N266-S297 PolarHBondContact OD1-OG 3.27Å; S297-G299 VanDerWaalsContact C-N 3.32Å
298S97.6Very high97.7Very high57 Ų5736.2 Ų36.240%0.39920%0.201SC..THydrogen-bonded Turntrans-84.1-6.1170.665.10000113.3H156 T296H156-S298 PolarHBondContact CD2-O 3.42Å; T296-S298 PolarHBondContact O-N 3.02Å; T296-S298 VanDerWaalsContact O-N 3.16Å; T296-S298 PolarHBondContact OG1-N 2.63Å; T296-S298 PolarHBondContact OG1-OG 3.22Å
299G98.6Very high97.5Very high0 Ų038.3 Ų38.30%022%0.217CC..EExtended strand (participates in β ladder)trans104.3-130.9-17000000111H156 T296 S297 S301H156-G299 WeakPolarHBondContact O-CA 3.45Å; T296-G299 PolarHBondContact N-O 2.88Å; T296-G299 PolarHBondContact O-N 3.03Å; T296-G299 PolarHBondContact OG1-O 2.99Å; S297-G299 VanDerWaalsContact C-N 3.32Å; G299-S301 PolarHBondContact O-N 3.09Å
300I98.5Very high97.4Very high18 Ų1845.1 Ų45.19%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-82.3110.7177.1-51.4-54000109.8H156 I159 L273 V275 C293 V295 L303H156-I300 VanDerWaalsContact CB-O 3.25Å; H156-I300 WeakPolarHBondContact CB-O 3.39Å; H156-I300 PolarHBondContact O-N 3.33Å; I159-I300 HydrophobicContact CD1-CD1 3.6Å; I159-I300 HydrophobicContact CD1-CG1 3.83Å; I159-I300 HydrophobicContact CG1-CD1 3.93Å; I159-I300 HydrophobicContact CG1-CG1 3.79Å; I159-I300 HydrophobicContact CG2-CD1 4.13Å; L273-I300 HydrophobicContact CD1-CD1 3.84Å; V275-I300 HydrophobicContact CG1-CD1 4.34Å; V275-I300 HydrophobicContact CG1-CG1 3.93Å; C293-I300 HydrophobicContact CB-CD1 3.94Å; C293-I300 HydrophobicContact CB-CG2 3.93Å; V295-I300 HydrophobicContact CG2-CD1 4Å; I300-L303 HydrophobicContact CG2-CD2 4.04Å
301S97.9Very high97.2Very high40 Ų4049.4 Ų49.428%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-83.7-39.7177.164.80000112.3L294 T296 G299L294-S301 WeakPolarHBondContact CB-OG 3.36Å; L294-S301 WeakPolarHBondContact CD2-OG 3.15Å; L294-S301 VanDerWaalsContact CG-OG 3.29Å; L294-S301 WeakPolarHBondContact CG-OG 3.48Å; L294-S301 PolarHBondContact O-N 3.39Å; L294-S301 PolarHBondContact O-OG 3.46Å; T296-S301 WeakPolarHBondContact CG2-OG 3.37Å; G299-S301 PolarHBondContact O-N 3.09Å
302H98Very high97.2Very high118 Ų11849.6 Ų49.655%0.54628%0.277SS..EExtended strand (participates in β ladder)trans-146.1149-175.5-58.977.3000110.7C293 L294C293-H302 CarbonylContact C-O 3.56Å; C293-H302 WeakPolarHBondContact CA-O 3.24Å; L294-H302 HydrophobicContact CB-CB 4.08Å; L294-H302 PolarHBondContact N-O 3.13Å
303L97.2Very high97.1Very high58 Ų5850.9 Ų50.930%0.30428%0.283SS..EExtended strand (participates in β ladder)trans-97.8142.2164.3-60.7178.7000108.3V275 I280 C293 I300 P305V275-L303 HydrophobicContact CB-CD2 4.05Å; V275-L303 HydrophobicContact CG1-CD2 4.34Å; V275-L303 HydrophobicContact CG2-CD2 3.52Å; I280-L303 HydrophobicContact CD1-CB 4.24Å; I280-L303 HydrophobicContact CD1-CD1 3.37Å; I280-L303 HydrophobicContact CD1-CG 4.43Å; C293-L303 HydrophobicContact CB-CD2 4.35Å; C293-L303 WeakPolarHBondContact SG-CD2 3.4Å; I300-L303 HydrophobicContact CG2-CD2 4.04Å; L303-P305 WeakPolarHBondContact O-CD 3.05Å
304I97Very high97Very high79 Ų7954.7 Ų54.741%0.40531%0.309SS..  trans-119.686.9178.1-52.6171.6000107.2V270 P292 P306V270-I304 HydrophobicContact CG1-CD1 4Å; V270-I304 HydrophobicContact CG2-CD1 3.68Å; P292-I304 HydrophobicContact CB-CB 4.27Å; P292-I304 PolarHBondContact O-N 2.97Å; I304-P306 VanDerWaalsContact O-CD 3.25Å; I304-P306 WeakPolarHBondContact O-CD 3.37Å
305P95.8Very high96.9Very high68 Ų6857.4 Ų57.444%0.44232%0.319SS..  trans-62.9115.4177-20.533.5000109.8I280 L303I280-P305 HydrophobicContact CG2-CB 3.85Å; I280-P305 HydrophobicContact CG2-CG 3.81Å; L303-P305 WeakPolarHBondContact O-CD 3.05Å
306P95.5Very high96.9Very high19 Ų1957.4 Ų57.412%0.12332%0.319CS..  trans-70.3154178.629.6-34.7000111.1I190 H281 I304 L308I190-P306 HydrophobicContact CD1-CG 4.2Å; H281-P306 PolarHBondContact CE1-O 3.18Å; I304-P306 VanDerWaalsContact O-CD 3.25Å; I304-P306 WeakPolarHBondContact O-CD 3.37Å; P306-L308 HydrophobicContact CB-CD2 4.25Å; P306-L308 HydrophobicContact CG-CD2 3.75Å; P306-L308 HydrophobicContact CG-CG 4.17Å; P306-L308 PolarHBondContact O-N 3.46Å
307E95.8Very high96.8Very high146 Ų14662.5 Ų62.568%0.68234%0.338SS*.  trans-65.8128.3161.4-67.8179.2170.200108.4N203N203-E307 PolarHBondContact ND2-O 3.43Å
308L96.6Very high96.7Very high34 Ų3466.3 Ų66.318%0.17835%0.346CS..  trans-121.7142.9-177.6-62.3179.9000109.4I190 V200 P306 E312 L313 L316I190-L308 HydrophobicContact CD1-CD1 4.16Å; I190-L308 HydrophobicContact CD1-CD2 3.92Å; V200-L308 HydrophobicContact CB-CD2 4.46Å; V200-L308 HydrophobicContact CG1-CD2 3.6Å; V200-L308 HydrophobicContact CG2-CD2 3.97Å; P306-L308 HydrophobicContact CB-CD2 4.25Å; P306-L308 HydrophobicContact CG-CD2 3.75Å; P306-L308 HydrophobicContact CG-CG 4.17Å; P306-L308 PolarHBondContact O-N 3.46Å; L308-E312 HydrophobicContact CB-CB 4.09Å; L308-E312 HydrophobicContact CD2-CB 4.19Å; L308-L313 HydrophobicContact CB-CB 4.31Å; L308-L313 HydrophobicContact CD1-CD1 4.45Å; L308-L316 HydrophobicContact CD1-CD2 3.69Å
309S95Very high96.5Very high49 Ų4963.8 Ų63.834%0.34333%0.328SS..  trans-67.3163.2165.265.40000111.2D311 E312 L313S309-D311 PolarHBondContact O-N 3.3Å; S309-E312 PolarHBondContact N-OE2 3.08Å; S309-E312 PolarHBondContact O-N 3.32Å; S309-E312 WeakPolarHBondContact OG-CB 3.49Å; S309-E312 VanDerWaalsContact OG-CG 3.24Å; S309-E312 WeakPolarHBondContact OG-CG 3.26Å; S309-E312 PolarHBondContact OG-N 3.37Å; S309-E312 PolarHBondContact OG-OE2 2.81Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3.49Å
310D95.5Very high96.4Very high142 Ų14263.8 Ų63.876%0.75933%0.328SS*.Hα-helixtrans-58.3-36.7179.6-69.7-29.1000112.7C314D310-C314 VanDerWaalsContact O-CB 3.25Å; D310-C314 WeakPolarHBondContact O-CB 3.27Å; D310-C314 PolarHBondContact O-N 3.17Å
311D94.3Very high96.3Very high90 Ų9064.9 Ų64.948%0.48134%0.339SS..Hα-helixtrans-69.6-45.5176.5177.268.3000112S309 L313 C314 K315S309-D311 PolarHBondContact O-N 3.3Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 2.98Å; D311-C314 PolarHBondContact O-N 2.9Å; D311-K315 WeakPolarHBondContact O-CG 3.34Å; D311-K315 PolarHBondContact O-N 3.39Å; D311-K315 WeakPolarHBondContact OD1-CE 3.47Å; D311-K315 IonicContact OD1-NZ 3.06Å; D311-K315 WeakPolarHBondContact OD2-CE 3.12Å; D311-K315 IonicContact OD2-NZ 2.83Å; D311-K315 PolarHBondContact OD2-NZ 2.87Å
312E96.5Very high95.9Very high6 Ų665 Ų653%0.02834%0.339CS..Hα-helixtrans-61.4-42176-71.2163.3160.200111.3V198 V200 W201 S202 L308 S309 K315 L316V198-E312 HydrophobicContact CG1-CB 4.17Å; V198-E312 HydrophobicContact CG1-CG 4.3Å; V200-E312 VanDerWaalsContact CA-OE1 3.26Å; V200-E312 WeakPolarHBondContact CA-OE1 3.14Å; W201-E312 PolarHBondContact N-OE1 3.36Å; S202-E312 WeakPolarHBondContact CB-OE2 3.49Å; S202-E312 PolarHBondContact N-OE1 3.09Å; S202-E312 PolarHBondContact OG-OE1 3.41Å; S202-E312 PolarHBondContact OG-OE2 3.03Å; L308-E312 HydrophobicContact CB-CB 4.09Å; L308-E312 HydrophobicContact CD2-CB 4.19Å; S309-E312 PolarHBondContact N-OE2 3.08Å; S309-E312 PolarHBondContact O-N 3.32Å; S309-E312 WeakPolarHBondContact OG-CB 3.49Å; S309-E312 VanDerWaalsContact OG-CG 3.24Å; S309-E312 WeakPolarHBondContact OG-CG 3.26Å; S309-E312 PolarHBondContact OG-N 3.37Å; S309-E312 PolarHBondContact OG-OE2 2.81Å; E312-K315 PolarHBondContact O-N 3.42Å; E312-L316 WeakPolarHBondContact O-CB 3.34Å; E312-L316 PolarHBondContact O-N 2.94Å
313L97.1Very high95.7Very high31 Ų3159.5 Ų59.516%0.16231%0.313CS..Hα-helixtrans-64.7-42.5176.1-179.560.3000111.8H281 L308 S309 D311 L316 R317H281-L313 HydrophobicContact CB-CD1 3.64Å; L308-L313 HydrophobicContact CB-CB 4.31Å; L308-L313 HydrophobicContact CD1-CD1 4.45Å; S309-L313 WeakPolarHBondContact O-CB 3.27Å; S309-L313 PolarHBondContact O-N 3.49Å; D311-L313 VanDerWaalsContact C-N 3.32Å; D311-L313 PolarHBondContact O-N 2.98Å; L313-L316 PolarHBondContact O-N 3.3Å; L313-R317 HydrophobicContact CD1-CG 4.49Å; L313-R317 WeakPolarHBondContact O-CG 3.35Å; L313-R317 PolarHBondContact O-N 3.32Å
314C97.1Very high95.7Very high81 Ų8158.4 Ų58.455%0.54731%0.308SS..Hα-helixtrans-60.8-47.1175.7-1760000111.3D310 D311 R317 K318D310-C314 VanDerWaalsContact O-CB 3.25Å; D310-C314 WeakPolarHBondContact O-CB 3.27Å; D310-C314 PolarHBondContact O-N 3.17Å; D311-C314 PolarHBondContact O-N 2.9Å; C314-R317 PolarHBondContact O-N 2.78Å; C314-K318 WeakPolarHBondContact O-CB 3.35Å; C314-K318 PolarHBondContact O-N 3.31Å
315K96.5Very high95.5Very high93 Ų9361.3 Ų61.340%0.40432%0.319SS..Hα-helixtrans-60.8-45.7176.2-71.3168.3176.5166.70111.7V198 D311 E312 R317 K318 S319V198-K315 HydrophobicContact CG1-CB 4.23Å; V198-K315 HydrophobicContact CG2-CB 3.71Å; D311-K315 WeakPolarHBondContact O-CG 3.34Å; D311-K315 PolarHBondContact O-N 3.39Å; D311-K315 WeakPolarHBondContact OD1-CE 3.47Å; D311-K315 IonicContact OD1-NZ 3.06Å; D311-K315 WeakPolarHBondContact OD2-CE 3.12Å; D311-K315 IonicContact OD2-NZ 2.83Å; D311-K315 PolarHBondContact OD2-NZ 2.87Å; E312-K315 PolarHBondContact O-N 3.42Å; K315-R317 PolarHBondContact O-N 3.43Å; K315-K318 WeakPolarHBondContact O-CB 3.17Å; K315-K318 PolarHBondContact O-N 3.06Å; K315-S319 PolarHBondContact O-N 2.64Å; K315-S319 PolarHBondContact O-OG 3.03Å; K315-S319 VanDerWaalsContact O-OG 3.09Å
316L97.4Very high95.4Very high0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-59.9-45.6178.9-175.567.2000112I190 H281 I283 L289 L291 L308 E312 L313 K318 S319 A320I190-L316 HydrophobicContact CD1-CD1 4.18Å; I190-L316 HydrophobicContact CD1-CD2 4.28Å; I190-L316 HydrophobicContact CG1-CD1 4.33Å; H281-L316 HydrophobicContact CB-CD2 4.13Å; I283-L316 HydrophobicContact CD1-CD2 4.45Å; I283-L316 HydrophobicContact CD1-CG 4.28Å; L289-L316 HydrophobicContact CD1-CD1 3.75Å; L289-L316 HydrophobicContact CD1-CG 4.44Å; L291-L316 HydrophobicContact CD2-CD2 4.37Å; L308-L316 HydrophobicContact CD1-CD2 3.69Å; E312-L316 WeakPolarHBondContact O-CB 3.34Å; E312-L316 PolarHBondContact O-N 2.94Å; L313-L316 PolarHBondContact O-N 3.3Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-S319 PolarHBondContact O-N 3.48Å; L316-A320 PolarHBondContact O-N 2.82Å
317R97.1Very high95.4Very high116 Ų11658.6 Ų58.644%0.43830%0.301SS..Hα-helixtrans-64.9-37.6177-73.3175.1177.3168.10.3112.3H281 I283 L313 C314 K315 A320 A321H281-R317 VanDerWaalsContact O-CZ 3.28Å; H281-R317 PolarHBondContact O-NE 2.8Å; H281-R317 PolarHBondContact O-NH2 2.94Å; I283-R317 HydrophobicContact CG1-CG 4.32Å; L313-R317 HydrophobicContact CD1-CG 4.49Å; L313-R317 WeakPolarHBondContact O-CG 3.35Å; L313-R317 PolarHBondContact O-N 3.32Å; C314-R317 PolarHBondContact O-N 2.78Å; K315-R317 PolarHBondContact O-N 3.43Å; R317-A320 WeakPolarHBondContact O-CB 3.5Å; R317-A320 PolarHBondContact O-N 3.35Å; R317-A321 PolarHBondContact O-N 2.98Å
318K95.7Very high95.3Very high148 Ų14858.3 Ų58.364%0.64330%0.3SS*.Hα-helixtrans-61.4-45.6174.4-174.9179.7177.7-1780111.3C314 K315 L316 A320 A321 T322C314-K318 WeakPolarHBondContact O-CB 3.35Å; C314-K318 PolarHBondContact O-N 3.31Å; K315-K318 WeakPolarHBondContact O-CB 3.17Å; K315-K318 PolarHBondContact O-N 3.06Å; L316-K318 VanDerWaalsContact C-N 3.34Å; K318-A320 VanDerWaalsContact C-N 3.32Å; K318-A320 PolarHBondContact O-N 2.64Å; K318-A321 PolarHBondContact O-N 3.26Å; K318-T322 PolarHBondContact O-N 3.42Å; K318-T322 PolarHBondContact O-OG1 3.29Å
319S94.1Very high95.1Very high4 Ų458.5 Ų58.53%0.02831%0.309CS..Hα-helixtrans-61.8-40.4176.5-50.50000111.6S196 K315 L316 A321 T322 L323S196-S319 PolarHBondContact O-OG 3.26Å; K315-S319 PolarHBondContact O-N 2.64Å; K315-S319 PolarHBondContact O-OG 3.03Å; K315-S319 VanDerWaalsContact O-OG 3.09Å; L316-S319 PolarHBondContact O-N 3.48Å; S319-A321 PolarHBondContact O-N 3.09Å; S319-T322 PolarHBondContact O-N 3.07Å; S319-L323 WeakPolarHBondContact O-CB 3.26Å; S319-L323 WeakPolarHBondContact O-CG 3.32Å; S319-L323 PolarHBondContact O-N 2.76Å
320A96.4Very high95Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-60-45.2173.900000112.6I283 V287 L289 L316 R317 K318 L323 N324I283-A320 HydrophobicContact CD1-CB 3.85Å; I283-A320 HydrophobicContact CG1-CB 3.98Å; I283-A320 HydrophobicContact CG2-CB 3.84Å; V287-A320 HydrophobicContact CG2-CB 4.1Å; L289-A320 HydrophobicContact CD2-CB 3.6Å; L316-A320 PolarHBondContact O-N 2.82Å; R317-A320 WeakPolarHBondContact O-CB 3.5Å; R317-A320 PolarHBondContact O-N 3.35Å; K318-A320 VanDerWaalsContact C-N 3.32Å; K318-A320 PolarHBondContact O-N 2.64Å; A320-L323 PolarHBondContact O-N 2.91Å; A320-N324 WeakPolarHBondContact O-CB 3.37Å; A320-N324 PolarHBondContact O-N 3.33Å
321A94.8Very high94.8Very high40 Ų4056 Ų5633%0.33129%0.291SS..Hα-helixtrans-62.6-46.3177.600000112R317 K318 S319 L323 N324 E325R317-A321 PolarHBondContact O-N 2.98Å; K318-A321 PolarHBondContact O-N 3.26Å; S319-A321 PolarHBondContact O-N 3.09Å; A321-L323 PolarHBondContact O-N 3.26Å; A321-N324 WeakPolarHBondContact O-CB 3.3Å; A321-N324 PolarHBondContact O-N 3.39Å; A321-E325 WeakPolarHBondContact O-CG 3.16Å; A321-E325 PolarHBondContact O-N 2.95Å
322T91Very high94.5Very high44 Ų4455.8 Ų55.827%0.2729%0.289SS..Hα-helixtrans-61.1-42.8176.9-61.30000112.1K318 S319 E325 V326K318-T322 PolarHBondContact O-N 3.42Å; K318-T322 PolarHBondContact O-OG1 3.29Å; S319-T322 PolarHBondContact O-N 3.07Å; T322-E325 PolarHBondContact O-N 2.87Å; T322-V326 WeakPolarHBondContact O-CG2 3.45Å; T322-V326 PolarHBondContact O-N 3.3Å
323L94Very high94.4Very high1 Ų158.3 Ų58.31%0.00530%0.302CS..Hα-helixtrans-64.6-40.2175.7-73.5173.2000111.9D141 I142 E192 V287 Y288 L289 S319 A320 A321 V326 I327D141-L323 HydrophobicContact CB-CD1 4Å; D141-L323 HydrophobicContact CB-CD2 4.18Å; I142-L323 HydrophobicContact CD1-CD2 4.05Å; I142-L323 HydrophobicContact CG1-CD2 3.78Å; E192-L323 HydrophobicContact CB-CD1 3.92Å; E192-L323 HydrophobicContact CB-CG 4.36Å; E192-L323 HydrophobicContact CG-CD1 4.14Å; E192-L323 HydrophobicContact CG-CD2 4.03Å; E192-L323 HydrophobicContact CG-CG 4.21Å; V287-L323 HydrophobicContact CG1-CB 4.5Å; Y288-L323 WeakPolarHBondContact O-CD1 3.22Å; L289-L323 HydrophobicContact CB-CD1 4.12Å; L289-L323 HydrophobicContact CD2-CD1 4.11Å; S319-L323 WeakPolarHBondContact O-CB 3.26Å; S319-L323 WeakPolarHBondContact O-CG 3.32Å; S319-L323 PolarHBondContact O-N 2.76Å; A320-L323 PolarHBondContact O-N 2.91Å; A321-L323 PolarHBondContact O-N 3.26Å; L323-V326 PolarHBondContact O-N 2.83Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.14Å
324N95.7Very high94.3Very high36 Ų3659.7 Ų59.719%0.19331%0.31CS..Hα-helixtrans-61.5-44.6176.1-175.852.7000111.5E285 V287 A320 A321 V326 I327 Q328E285-N324 HydrophobicContact CB-CB 4.02Å; E285-N324 HydrophobicContact CG-CB 3.91Å; V287-N324 HydrophobicContact CG1-CB 3.69Å; A320-N324 WeakPolarHBondContact O-CB 3.37Å; A320-N324 PolarHBondContact O-N 3.33Å; A321-N324 WeakPolarHBondContact O-CB 3.3Å; A321-N324 PolarHBondContact O-N 3.39Å; N324-V326 VanDerWaalsContact C-N 3.29Å; N324-V326 PolarHBondContact O-N 3.19Å; N324-I327 PolarHBondContact O-N 3.27Å; N324-I327 VanDerWaalsContact O-N 3.11Å; N324-Q328 WeakPolarHBondContact O-CG 3.31Å; N324-Q328 PolarHBondContact O-N 3.41Å; N324-Q328 PolarHBondContact OD1-NE2 3.27Å
325E93.6Very high94.1Very high139 Ų13958.6 Ų58.665%0.6530%0.297SS*.Hα-helixtrans-55.8-43.7176.1-73.5173.5-172.600112A321 T322 Q328 G329A321-E325 WeakPolarHBondContact O-CG 3.16Å; A321-E325 PolarHBondContact O-N 2.95Å; T322-E325 PolarHBondContact O-N 2.87Å; E325-Q328 PolarHBondContact O-N 2.83Å; E325-G329 PolarHBondContact O-N 2.77Å
326V93.3Very high94Very high21 Ų2156.5 Ų56.513%0.12729%0.29CS..Hα-helixtrans-68-40.5176.6-176.70000111.3L107 V110 I142 T322 L323 N324 Q328 G329 I330L107-V326 HydrophobicContact CD1-CG1 4.27Å; V110-V326 HydrophobicContact CG1-CG1 4.4Å; V110-V326 HydrophobicContact CG2-CG1 4.03Å; I142-V326 HydrophobicContact CD1-CB 3.91Å; I142-V326 HydrophobicContact CD1-CG1 3.47Å; I142-V326 VanDerWaalsContact CD1-CG1 3.47Å; T322-V326 WeakPolarHBondContact O-CG2 3.45Å; T322-V326 PolarHBondContact O-N 3.3Å; L323-V326 PolarHBondContact O-N 2.83Å; N324-V326 VanDerWaalsContact C-N 3.29Å; N324-V326 PolarHBondContact O-N 3.19Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 3.06Å; V326-G329 PolarHBondContact O-N 2.94Å; V326-I330 PolarHBondContact O-N 2.96Å
327I95Very high93.8Very high10 Ų1060.1 Ų60.15%0.05131%0.308CS..Hα-helixtrans-63.6-35.7178-73.6163.6000111.8I142 Y145 V287 L323 N324 G329 I330I142-I327 HydrophobicContact CG1-CG1 4.44Å; I142-I327 HydrophobicContact CG2-CG1 4.31Å; Y145-I327 HydrophobicContact CD1-CD1 4.3Å; Y145-I327 HydrophobicContact CD1-CG1 4.22Å; Y145-I327 HydrophobicContact CD1-CG2 4.11Å; Y145-I327 HydrophobicContact CD2-CD1 4.4Å; Y145-I327 HydrophobicContact CE1-CG1 4.46Å; Y145-I327 HydrophobicContact CE1-CG2 3.52Å; Y145-I327 HydrophobicContact CE2-CG2 4.29Å; Y145-I327 HydrophobicContact CG-CD1 4.14Å; V287-I327 HydrophobicContact CB-CD1 4.44Å; V287-I327 HydrophobicContact CG1-CD1 4.01Å; L323-I327 WeakPolarHBondContact O-CB 3.46Å; L323-I327 VanDerWaalsContact O-CG1 3.29Å; L323-I327 WeakPolarHBondContact O-CG1 3.47Å; L323-I327 PolarHBondContact O-N 3.14Å; N324-I327 PolarHBondContact O-N 3.27Å; N324-I327 VanDerWaalsContact O-N 3.11Å; I327-G329 PolarHBondContact O-N 3.4Å; I327-I330 WeakPolarHBondContact O-CG1 3.14Å; I327-I330 PolarHBondContact O-N 2.67Å
328Q94.4Very high93.5Very high140 Ų14056.3 Ų56.365%0.65430%0.3SS*.Hα-helixtrans-69-20.7174.6-63.4-50.6-4300112.7N324 E325 V326N324-Q328 WeakPolarHBondContact O-CG 3.31Å; N324-Q328 PolarHBondContact O-N 3.41Å; N324-Q328 PolarHBondContact OD1-NE2 3.27Å; E325-Q328 PolarHBondContact O-N 2.83Å; V326-Q328 VanDerWaalsContact C-N 3.32Å; V326-Q328 PolarHBondContact O-N 3.06Å
329G92.8Very high93.4Very high37 Ų3749.8 Ų49.838%0.38128%0.275SS..THydrogen-bonded Turntrans-87.9-10.6179.400000115.3E325 V326 I327E325-G329 PolarHBondContact O-N 2.77Å; V326-G329 PolarHBondContact O-N 2.94Å; I327-G329 PolarHBondContact O-N 3.4Å
330I92.8Very high93.3Very high18 Ų1853.3 Ų53.39%0.09229%0.294CS..  trans-91147.7-17760164000112.5L107 V110 V114 I142 Y145 V146 V326 I327 L332L107-I330 HydrophobicContact CD1-CG2 4.15Å; V110-I330 HydrophobicContact CB-CG2 4.37Å; V110-I330 HydrophobicContact CG1-CG2 3.43Å; V110-I330 VanDerWaalsContact CG1-CG2 3.43Å; V114-I330 HydrophobicContact CG2-CB 4.42Å; V114-I330 HydrophobicContact CG2-CD1 4.17Å; V114-I330 HydrophobicContact CG2-CG2 4.42Å; I142-I330 HydrophobicContact CG2-CD1 4.37Å; Y145-I330 HydrophobicContact CE1-CD1 4.42Å; V146-I330 HydrophobicContact CG2-CD1 3.65Å; V326-I330 PolarHBondContact O-N 2.96Å; I327-I330 WeakPolarHBondContact O-CG1 3.14Å; I327-I330 PolarHBondContact O-N 2.67Å; I330-L332 HydrophobicContact CD1-CD2 4.01Å; I330-L332 HydrophobicContact CD1-CG 4.28Å
331I91.3Very high93.1Very high122 Ų12257.8 Ų57.863%0.62632%0.319SS*.  trans-102.9102.8175.8-54.8173.9000108.5Q111 K118Q111-I331 PolarHBondContact NE2-O 3.16Å; Q111-I331 VanDerWaalsContact NE2-O 3.13Å; K118-I331 VanDerWaalsContact CE-O 3.32Å; K118-I331 WeakPolarHBondContact CE-O 3.45Å; K118-I331 PolarHBondContact NZ-O 3.14Å
332L88.2Confident92.9Very high85 Ų8559.4 Ų59.445%0.44532%0.318SS..  trans-70.80176.8-73.5176.7000113.9V114 K118 Y145 V146 K149 I330V114-L332 HydrophobicContact CG1-CD2 4.4Å; K118-L332 VanDerWaalsContact CE-C 3.4Å; K118-L332 WeakPolarHBondContact CE-OXT 3.39Å; K118-L332 PolarHBondContact NZ-O 3.17Å; K118-L332 PolarHBondContact NZ-OXT 2.71Å; Y145-L332 HydrophobicContact CE1-CD1 4.08Å; V146-L332 HydrophobicContact CB-CD2 4.28Å; V146-L332 HydrophobicContact CG1-CD2 4.01Å; V146-L332 HydrophobicContact CG2-CD2 3.94Å; K149-L332 HydrophobicContact CB-CD1 3.97Å; K149-L332 HydrophobicContact CG-CD1 3.94Å; I330-L332 HydrophobicContact CD1-CD2 4.01Å; I330-L332 HydrophobicContact CD1-CG 4.28Å

Retrieved 332 of 332 residues in 280.4 ms (Link to these results)

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