A0A077ZMC3_TRITR Loading...

Lon C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M63.3Low83.2Confident173 Ų173126.3 Ų126.385%0.85264%0.644SS**  0133.40-159.9178.4-64.300106.6P3 L5 Y11M1-P3 WeakPolarHBondContact O-CD 3.45Å; M1-L5 HydrophobicContact CG-CD2 4.16Å; M1-L5 HydrophobicContact SD-CD2 4.36Å; M1-Y11 HydrophobicContact CE-CE2 4.48Å; M1-Y11 HydrophobicContact SD-CD2 4.42Å; M1-Y11 HydrophobicContact SD-CE2 4.43Å
2E77.9Confident83.6Confident141 Ų141123.4 Ų123.466%0.65964%0.644SS**  trans-62.3125.2174.5-68.9176.6174.600108.2E4 L5E2-E4 PolarHBondContact O-N 3.3Å; E2-E4 VanDerWaalsContact O-N 3.14Å; E2-L5 VanDerWaalsContact O-CB 3.29Å; E2-L5 WeakPolarHBondContact O-CB 3.41Å; E2-L5 PolarHBondContact O-N 3.41Å
3P76.6Confident84Confident104 Ų104125.2 Ų125.268%0.67565%0.647SS**Hα-helixtrans-52.4-37.8-177.2-28.835.3000113.2M1 L5 S6M1-P3 WeakPolarHBondContact O-CD 3.45Å; P3-L5 PolarHBondContact O-N 2.77Å; P3-S6 PolarHBondContact O-N 3.3Å; P3-S6 VanDerWaalsContact O-N 3.11Å; P3-S6 PolarHBondContact O-OG 3.18Å
4E85.2Confident84.4Confident133 Ų133128.6 Ų128.662%0.62166%0.655SS**Hα-helixtrans-58.4-28.9178.3-60.6176.2-173.800113.5E2 S6 E7 Q8E2-E4 PolarHBondContact O-N 3.3Å; E2-E4 VanDerWaalsContact O-N 3.14Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.05Å; E4-E7 WeakPolarHBondContact O-CB 3.48Å; E4-E7 PolarHBondContact O-N 3.43Å; E4-Q8 PolarHBondContact O-N 3.11Å
5L84.5Confident84.7Confident92 Ų92130.4 Ų130.448%0.48266%0.66SS.*Hα-helixtrans-66-33.9179.4-15596.6000111.5M1 E2 P3 E7 Q8 A9M1-L5 HydrophobicContact CG-CD2 4.16Å; M1-L5 HydrophobicContact SD-CD2 4.36Å; E2-L5 VanDerWaalsContact O-CB 3.29Å; E2-L5 WeakPolarHBondContact O-CB 3.41Å; E2-L5 PolarHBondContact O-N 3.41Å; P3-L5 PolarHBondContact O-N 2.77Å; L5-E7 PolarHBondContact O-N 3.27Å; L5-Q8 PolarHBondContact O-N 3.38Å; L5-A9 WeakPolarHBondContact O-CB 3.34Å; L5-A9 PolarHBondContact O-N 2.97Å
6S87.8Confident85.2Confident53 Ų53128.9 Ų128.937%0.37165%0.654SS.*Hα-helixtrans-70-21.8177.4710000112.8P3 E4P3-S6 PolarHBondContact O-N 3.3Å; P3-S6 VanDerWaalsContact O-N 3.11Å; P3-S6 PolarHBondContact O-OG 3.18Å; E4-S6 VanDerWaalsContact C-N 3.27Å; E4-S6 PolarHBondContact O-N 3.05Å
7E87.5Confident85.9Confident169 Ų169124.2 Ų124.279%0.7963%0.633SS**Hα-helixtrans-79.7-24.5174.3-60.1-174.1172.400112.6E4 L5E4-E7 WeakPolarHBondContact O-CB 3.48Å; E4-E7 PolarHBondContact O-N 3.43Å; L5-E7 PolarHBondContact O-N 3.27Å
8Q89.7Confident86.5Confident168 Ų168118.9 Ų118.979%0.78561%0.607SS**Hα-helixtrans-97.3-8.1-179.5-61.8-176.612.400113.7E4 L5E4-Q8 PolarHBondContact O-N 3.11Å; L5-Q8 PolarHBondContact O-N 3.38Å
9A87.4Confident87Confident56 Ų56116.7 Ų116.746%0.46359%0.594SS.*THydrogen-bonded Turntrans-123.7157.7-179.200000111.2L5 Y11L5-A9 WeakPolarHBondContact O-CB 3.34Å; L5-A9 PolarHBondContact O-N 2.97Å; A9-Y11 VanDerWaalsContact C-N 3.27Å; A9-Y11 PolarHBondContact O-N 3.23Å
10I87.5Confident87.4Confident173 Ų173112.8 Ų112.889%0.88757%0.574SS**THydrogen-bonded Turntrans-76.289.6164.6-56.9176.4000106.5
11Y87.9Confident87.8Confident127 Ų127114.2 Ų114.250%0.49858%0.581SS.*  trans-68.9132.1171.7178.2-91.6000109.7M1 A9 E13M1-Y11 HydrophobicContact CE-CE2 4.48Å; M1-Y11 HydrophobicContact SD-CD2 4.42Å; M1-Y11 HydrophobicContact SD-CE2 4.43Å; A9-Y11 VanDerWaalsContact C-N 3.27Å; A9-Y11 PolarHBondContact O-N 3.23Å; Y11-E13 HydrophobicContact CE1-CG 3.81Å; Y11-E13 WeakPolarHBondContact CE1-OE1 3.48Å; Y11-E13 WeakPolarHBondContact OH-CG 3.41Å; Y11-E13 PolarHBondContact OH-OE1 2.89Å
12S88.2Confident89.3Confident92 Ų92109.8 Ų109.864%0.64356%0.561SS**  trans-143140.7171.2-168.50000108.9
13E88.8Confident90.1Very high146 Ų146106.8 Ų106.868%0.68256%0.56SS**  trans-87.7150.3162.6-70.9164-158.600107.8Y11Y11-E13 HydrophobicContact CE1-CG 3.81Å; Y11-E13 WeakPolarHBondContact CE1-OE1 3.48Å; Y11-E13 WeakPolarHBondContact OH-CG 3.41Å; Y11-E13 PolarHBondContact OH-OE1 2.89Å
14F88.8Confident91.1Very high173 Ų173107.4 Ų107.476%0.75955%0.554SS**  trans-138.9149.3175.563.7-89.4000108.7D16F14-D16 HydrophobicContact CE2-CB 4.33Å
15E89.5Confident91.7Very high156 Ų156101.7 Ų101.773%0.72953%0.529SS*.  trans-73.9126.4173.3-62.6173.4174.200108.9
16D92.4Very high92.3Very high106 Ų10699.1 Ų99.157%0.56752%0.517SS*.SBendtrans-95.51.4173.266.4-21.5000112.7F14 L69F14-D16 HydrophobicContact CE2-CB 4.33Å; D16-L69 WeakPolarHBondContact O-CB 3.42Å; D16-L69 PolarHBondContact O-N 3.21Å
17T96.6Very high92.7Very high49 Ų4999.6 Ų99.630%0.30152%0.518SS..EExtended strand (participates in β ladder)trans-135.1158.3176.760.70000111.7T61 T66 L67 L69T17-T61 HydrophobicContact CG2-CG2 4.17Å; T17-T66 HydrophobicContact CG2-CG2 3.97Å; T17-L67 CarbonylContact C-O 3.54Å; T17-L67 VanDerWaalsContact CA-O 3.28Å; T17-L67 WeakPolarHBondContact CA-O 3.34Å; T17-L69 WeakPolarHBondContact O-CD1 3.37Å
18L96.5Very high93.2Very high30 Ų3095.9 Ų95.916%0.15750%0.5CS..EExtended strand (participates in β ladder)trans-116.8124.7175.3-178.579000109.8S25 W29 T66 L67 L69L18-S25 VanDerWaalsContact CD2-O 3.31Å; L18-S25 WeakPolarHBondContact CD2-O 3.44Å; L18-W29 HydrophobicContact CD2-CB 3.75Å; L18-W29 HydrophobicContact CD2-CG 4.38Å; L18-T66 WeakPolarHBondContact O-CA 3.4Å; L18-L67 PolarHBondContact N-O 2.88Å; L18-L67 PolarHBondContact O-N 3.37Å; L18-L69 HydrophobicContact CB-CD1 4.4Å; L18-L69 HydrophobicContact CB-CD2 4.02Å; L18-L69 HydrophobicContact CB-CG 4.15Å
19Q96.8Very high93.6Very high77 Ų7787.9 Ų87.936%0.3646%0.463SS..EExtended strand (participates in β ladder)trans-76.9133.4171-163.367.616.100111I21 E65 T66Q19-I21 HydrophobicContact CB-CG1 4.38Å; Q19-I21 HydrophobicContact CG-CG1 4.32Å; Q19-I21 PolarHBondContact O-N 3.21Å; Q19-E65 CarbonylContact C-O 3.55Å; Q19-E65 WeakPolarHBondContact CA-O 3.43Å; Q19-E65 VanDerWaalsContact CD-O 3.24Å; Q19-E65 PolarHBondContact NE2-O 3.28Å; Q19-E65 PolarHBondContact OE1-O 3.45Å; Q19-T66 PolarHBondContact OE1-OG1 3.5Å
20I95.7Very high94.1Very high38 Ų3886.5 Ų86.520%0.19545%0.449CS..  trans-79.9100.5172.8-56.6177.3000108.1V26 E65 L67I20-V26 HydrophobicContact CD1-CG2 4.46Å; I20-V26 HydrophobicContact CG1-CG2 4.41Å; I20-V26 HydrophobicContact CG2-CG2 3.74Å; I20-E65 HydrophobicContact CB-CB 4.42Å; I20-E65 PolarHBondContact N-O 2.87Å; I20-L67 HydrophobicContact CD1-CD1 3.87Å; I20-L67 HydrophobicContact CD1-CD2 4.14Å; I20-L67 HydrophobicContact CD1-CG 3.84Å; I20-L67 HydrophobicContact CG1-CD1 3.87Å; I20-L67 HydrophobicContact CG1-CG 3.95Å
21I94.6Very high94.6Very high142 Ų14286.6 Ų86.673%0.72844%0.439SS*.  trans-99.2-32.9176-55.3168.7000110.3Q19 S25Q19-I21 HydrophobicContact CB-CG1 4.38Å; Q19-I21 HydrophobicContact CG-CG1 4.32Å; Q19-I21 PolarHBondContact O-N 3.21Å; I21-S25 PolarHBondContact N-OG 3.28Å
22D95.6Very high95Very high80 Ų8084.6 Ų84.643%0.42843%0.43SS..SBendtrans-157.4-179.2-176.66215.7000112.4E24 S25 V26D22-E24 PolarHBondContact O-N 2.94Å; D22-E24 WeakPolarHBondContact OD1-CA 3.46Å; D22-E24 WeakPolarHBondContact OD1-CB 3.47Å; D22-E24 PolarHBondContact OD1-N 3.15Å; D22-S25 PolarHBondContact N-OG 3.5Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.22Å; D22-S25 PolarHBondContact OD1-N 3.15Å; D22-S25 PolarHBondContact OD1-OG 3.25Å; D22-V26 PolarHBondContact O-N 3.31Å
23A95.5Very high95.5Very high78 Ų7880.3 Ų80.365%0.64540%0.4SS*.Hα-helixtrans-65.6-22.9176.800000113.3T27A23-T27 WeakPolarHBondContact O-CB 3.42Å; A23-T27 PolarHBondContact O-N 3.31Å; A23-T27 PolarHBondContact O-OG1 2.75Å
24E97.4Very high96Very high117 Ų11774.7 Ų74.755%0.54738%0.376SS..Hα-helixtrans-70-42.4176.1-176.4171.5175.900110.5D22 V26 T27 Q28D22-E24 PolarHBondContact O-N 2.94Å; D22-E24 WeakPolarHBondContact OD1-CA 3.46Å; D22-E24 WeakPolarHBondContact OD1-CB 3.47Å; D22-E24 PolarHBondContact OD1-N 3.15Å; E24-V26 VanDerWaalsContact C-N 3.33Å; E24-V26 PolarHBondContact O-N 3.33Å; E24-T27 CarbonylContact O-C 3.57Å; E24-T27 WeakPolarHBondContact O-CA 3.24Å; E24-T27 WeakPolarHBondContact O-CB 3.3Å; E24-T27 PolarHBondContact O-N 3.44Å; E24-Q28 HydrophobicContact CG-CG 4.28Å; E24-Q28 WeakPolarHBondContact O-CG 3.35Å; E24-Q28 PolarHBondContact O-N 3.05Å; E24-Q28 PolarHBondContact OE1-NE2 3.48Å; E24-Q28 VanDerWaalsContact OE1-NE2 3.13Å
25S96.6Very high96.4Very high13 Ų1372.2 Ų72.29%0.09137%0.365CS..Hα-helixtrans-53.8-50.3175.5-50.50000110.7L18 I21 D22 T27 Q28 W29L18-S25 VanDerWaalsContact CD2-O 3.31Å; L18-S25 WeakPolarHBondContact CD2-O 3.44Å; I21-S25 PolarHBondContact N-OG 3.28Å; D22-S25 PolarHBondContact N-OG 3.5Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.22Å; D22-S25 PolarHBondContact OD1-N 3.15Å; D22-S25 PolarHBondContact OD1-OG 3.25Å; S25-T27 VanDerWaalsContact C-N 3.34Å; S25-T27 PolarHBondContact O-N 3.4Å; S25-Q28 PolarHBondContact O-N 3.31Å; S25-W29 PolarHBondContact O-N 3.33Å
26V96.6Very high96.8Very high38 Ų3865 Ų6523%0.2333%0.332CS..Hα-helixtrans-62.2-41.7176.1-176.60000111.4I20 D22 E24 Q28 W29 C30 I54I20-V26 HydrophobicContact CD1-CG2 4.46Å; I20-V26 HydrophobicContact CG1-CG2 4.41Å; I20-V26 HydrophobicContact CG2-CG2 3.74Å; D22-V26 PolarHBondContact O-N 3.31Å; E24-V26 VanDerWaalsContact C-N 3.33Å; E24-V26 PolarHBondContact O-N 3.33Å; V26-Q28 PolarHBondContact O-N 3.5Å; V26-W29 PolarHBondContact O-N 3.03Å; V26-C30 PolarHBondContact O-N 3.41Å; V26-C30 PolarHBondContact O-SG 3.16Å; V26-I54 HydrophobicContact CG1-CD1 4.15Å
27T97.4Very high97.1Very high63 Ų6360 Ų6039%0.38731%0.305SS..Hα-helixtrans-62.9-41.5178.5-61.30000112A23 E24 S25 C30 R31A23-T27 WeakPolarHBondContact O-CB 3.42Å; A23-T27 PolarHBondContact O-N 3.31Å; A23-T27 PolarHBondContact O-OG1 2.75Å; E24-T27 CarbonylContact O-C 3.57Å; E24-T27 WeakPolarHBondContact O-CA 3.24Å; E24-T27 WeakPolarHBondContact O-CB 3.3Å; E24-T27 PolarHBondContact O-N 3.44Å; S25-T27 VanDerWaalsContact C-N 3.34Å; S25-T27 PolarHBondContact O-N 3.4Å; T27-C30 PolarHBondContact O-N 2.88Å; T27-R31 WeakPolarHBondContact O-CG 3.03Å; T27-R31 PolarHBondContact O-N 2.65Å
28Q97.1Very high97.1Very high91 Ų9165.5 Ų65.543%0.42532%0.32SS..Hα-helixtrans-64-43.1176.4-70.4179.86.900110.8E24 S25 V26 R31 W32E24-Q28 HydrophobicContact CG-CG 4.28Å; E24-Q28 WeakPolarHBondContact O-CG 3.35Å; E24-Q28 PolarHBondContact O-N 3.05Å; E24-Q28 PolarHBondContact OE1-NE2 3.48Å; E24-Q28 VanDerWaalsContact OE1-NE2 3.13Å; S25-Q28 PolarHBondContact O-N 3.31Å; V26-Q28 PolarHBondContact O-N 3.5Å; Q28-R31 WeakPolarHBondContact O-CB 3.19Å; Q28-R31 PolarHBondContact O-N 3.07Å; Q28-W32 PolarHBondContact O-N 2.82Å
29W98Very high97.2Very high1 Ų170.2 Ų70.20%0.00434%0.341CS..Hα-helixtrans-62.5-45.4175.2-169.480.5000112.7L18 S25 V26 R31 W32 V33 W50 L53 I54 A57 L67 P68 W73L18-W29 HydrophobicContact CD2-CB 3.75Å; L18-W29 HydrophobicContact CD2-CG 4.38Å; S25-W29 PolarHBondContact O-N 3.33Å; V26-W29 PolarHBondContact O-N 3.03Å; W29-R31 VanDerWaalsContact C-N 3.28Å; W29-R31 PolarHBondContact O-N 3.46Å; W29-W32 WeakPolarHBondContact O-CB 3.13Å; W29-W32 PolarHBondContact O-N 3.46Å; W29-V33 HydrophobicContact CD2-CG2 3.91Å; W29-V33 HydrophobicContact CE3-CG2 4.01Å; W29-V33 HydrophobicContact CH2-CG2 3.97Å; W29-V33 HydrophobicContact CZ2-CG2 3.82Å; W29-V33 HydrophobicContact CZ3-CG2 4.05Å; W29-V33 WeakPolarHBondContact O-CG2 3.38Å; W29-V33 PolarHBondContact O-N 3.46Å; W29-W50 HydrophobicContact CZ3-CE3 4.5Å; W29-W50 HydrophobicContact CZ3-CZ3 4.34Å; W29-L53 HydrophobicContact CH2-CD2 4.37Å; W29-L53 HydrophobicContact CH2-CG 4.04Å; W29-L53 HydrophobicContact CZ3-CG 4.49Å; W29-I54 HydrophobicContact CE3-CG1 4.48Å; W29-I54 HydrophobicContact CZ3-CG1 3.87Å; W29-A57 HydrophobicContact CH2-CB 3.73Å; W29-A57 HydrophobicContact CZ2-CB 3.75Å; W29-L67 HydrophobicContact CB-CD1 3.92Å; W29-L67 HydrophobicContact CD2-CB 4.08Å; W29-L67 HydrophobicContact CD2-CD1 3.67Å; W29-L67 HydrophobicContact CD2-CG 4.36Å; W29-L67 HydrophobicContact CE3-CD1 3.94Å; W29-L67 HydrophobicContact CG-CB 4.03Å; W29-L67 HydrophobicContact CG-CD1 3.66Å; W29-L67 HydrophobicContact CG-CG 4.47Å; W29-L67 HydrophobicContact CZ2-CB 4.32Å; W29-P68 HydrophobicContact CZ2-CG 4.47Å; W29-P68 PolarHBondContact NE1-O 3.49Å; W29-W73 HydrophobicContact CH2-CZ3 4.28Å; W29-W73 HydrophobicContact CZ2-CH2 4.39Å; W29-W73 AromaticContact CZ2-CZ3 3.87Å; W29-W73 HydrophobicContact CZ2-CZ3 3.87Å
30C98.1Very high97.2Very high26 Ų2670 Ų7018%0.17634%0.342CS..Hα-helixtrans-59.9-38.4175.6-68.40000112.3V26 T27 T34 W50V26-C30 PolarHBondContact O-N 3.41Å; V26-C30 PolarHBondContact O-SG 3.16Å; T27-C30 PolarHBondContact O-N 2.88Å; C30-T34 WeakPolarHBondContact O-CB 3.23Å; C30-T34 PolarHBondContact O-N 3.39Å; C30-T34 PolarHBondContact O-OG1 3.36Å; C30-W50 HydrophobicContact CB-CE3 4.29Å; C30-W50 HydrophobicContact CB-CH2 3.85Å; C30-W50 HydrophobicContact CB-CZ2 4.22Å; C30-W50 HydrophobicContact CB-CZ3 3.88Å; C30-W50 WeakPolarHBondContact O-CH2 3.32Å; C30-W50 VanDerWaalsContact SG-CE3 3.58Å
31R98Very high97.2Very high175 Ų17576.7 Ų76.766%0.6637%0.372SS*.Hα-helixtrans-64.5-42.2173.4-73.9173.1-178.8171.63.7111.4T27 Q28 W29 T34 F35T27-R31 WeakPolarHBondContact O-CG 3.03Å; T27-R31 PolarHBondContact O-N 2.65Å; Q28-R31 WeakPolarHBondContact O-CB 3.19Å; Q28-R31 PolarHBondContact O-N 3.07Å; W29-R31 VanDerWaalsContact C-N 3.28Å; W29-R31 PolarHBondContact O-N 3.46Å; R31-T34 PolarHBondContact O-N 3.22Å; R31-F35 VanDerWaalsContact O-CB 3.27Å; R31-F35 WeakPolarHBondContact O-CB 3.3Å; R31-F35 PolarHBondContact O-N 2.83Å
32W97.8Very high97.4Very high86 Ų8671.4 Ų71.433%0.32635%0.345SS..Hα-helixtrans-62.3-47.3177.6174.2-128.1000112.4Q28 W29 T34 F35 T36 L69 P71 I74Q28-W32 PolarHBondContact O-N 2.82Å; W29-W32 WeakPolarHBondContact O-CB 3.13Å; W29-W32 PolarHBondContact O-N 3.46Å; W32-T34 PolarHBondContact O-N 3.2Å; W32-F35 AromaticContact CE3-CD1 3.97Å; W32-F35 HydrophobicContact CE3-CD1 3.97Å; W32-F35 AromaticContact CZ3-CD1 3.66Å; W32-F35 HydrophobicContact CZ3-CD1 3.66Å; W32-F35 HydrophobicContact CZ3-CE1 4.02Å; W32-F35 PolarHBondContact O-N 2.76Å; W32-T36 WeakPolarHBondContact O-CB 3.29Å; W32-T36 PolarHBondContact O-N 2.97Å; W32-T36 PolarHBondContact O-OG1 3.15Å; W32-L69 PolarHBondContact NE1-O 3.12Å; W32-P71 HydrophobicContact CZ2-CG 4Å; W32-I74 HydrophobicContact CG-CD1 4.48Å
33V98.4Very high97.5Very high1 Ų168.1 Ų68.11%0.00633%0.328CS..Hα-helixtrans-58.3-48.7174.3170.40000110.8W29 F35 T36 A37 P45 W50 L53 I74W29-V33 HydrophobicContact CD2-CG2 3.91Å; W29-V33 HydrophobicContact CE3-CG2 4.01Å; W29-V33 HydrophobicContact CH2-CG2 3.97Å; W29-V33 HydrophobicContact CZ2-CG2 3.82Å; W29-V33 HydrophobicContact CZ3-CG2 4.05Å; W29-V33 WeakPolarHBondContact O-CG2 3.38Å; W29-V33 PolarHBondContact O-N 3.46Å; V33-F35 PolarHBondContact O-N 3.22Å; V33-T36 PolarHBondContact O-N 2.8Å; V33-A37 WeakPolarHBondContact O-CB 3.37Å; V33-A37 PolarHBondContact O-N 2.74Å; V33-P45 HydrophobicContact CG1-CG 3.93Å; V33-W50 HydrophobicContact CB-CH2 4.02Å; V33-W50 HydrophobicContact CB-CZ3 4.02Å; V33-W50 HydrophobicContact CG1-CH2 3.86Å; V33-W50 HydrophobicContact CG1-CZ3 3.87Å; V33-W50 HydrophobicContact CG2-CZ3 4.49Å; V33-L53 HydrophobicContact CG1-CD2 3.94Å; V33-I74 HydrophobicContact CB-CG2 4.41Å; V33-I74 HydrophobicContact CG1-CG2 4.09Å; V33-I74 HydrophobicContact CG2-CD1 3.96Å; V33-I74 HydrophobicContact CG2-CG1 4.22Å; V33-I74 HydrophobicContact CG2-CG2 4.36Å
34T98.3Very high97.6Very high28 Ų2864.6 Ų64.617%0.17230%0.299CS..Hα-helixtrans-62.8-43.6-179.8-58.10000112C30 R31 W32 R38 A44C30-T34 WeakPolarHBondContact O-CB 3.23Å; C30-T34 PolarHBondContact O-N 3.39Å; C30-T34 PolarHBondContact O-OG1 3.36Å; R31-T34 PolarHBondContact O-N 3.22Å; W32-T34 PolarHBondContact O-N 3.2Å; T34-R38 WeakPolarHBondContact O-CB 3.44Å; T34-R38 WeakPolarHBondContact O-CG 3.43Å; T34-R38 PolarHBondContact O-N 2.87Å; T34-A44 HydrophobicContact CG2-CB 4.33Å
35F98.3Very high97.6Very high121 Ų12159.5 Ų59.553%0.53128%0.276SS..Hα-helixtrans-61.7-48.8176.6173.4-94.3000110.8R31 W32 V33 A37 R38 H39R31-F35 VanDerWaalsContact O-CB 3.27Å; R31-F35 WeakPolarHBondContact O-CB 3.3Å; R31-F35 PolarHBondContact O-N 2.83Å; W32-F35 AromaticContact CE3-CD1 3.97Å; W32-F35 HydrophobicContact CE3-CD1 3.97Å; W32-F35 AromaticContact CZ3-CD1 3.66Å; W32-F35 HydrophobicContact CZ3-CD1 3.66Å; W32-F35 HydrophobicContact CZ3-CE1 4.02Å; W32-F35 PolarHBondContact O-N 2.76Å; V33-F35 PolarHBondContact O-N 3.22Å; F35-A37 PolarHBondContact O-N 2.98Å; F35-R38 PolarHBondContact O-N 3.3Å; F35-H39 WeakPolarHBondContact O-CB 3.45Å; F35-H39 PolarHBondContact O-N 3.41Å
36T98.1Very high97.6Very high5 Ų559.5 Ų59.53%0.03128%0.278CS..Hα-helixtrans-60.5-44.8-178.9-60.90000111.7W32 V33 N40 P71 I74 L75W32-T36 WeakPolarHBondContact O-CB 3.29Å; W32-T36 PolarHBondContact O-N 2.97Å; W32-T36 PolarHBondContact O-OG1 3.15Å; V33-T36 PolarHBondContact O-N 2.8Å; T36-N40 PolarHBondContact O-N 2.96Å; T36-N40 PolarHBondContact O-ND2 3.2Å; T36-P71 HydrophobicContact CG2-CB 4.34Å; T36-I74 HydrophobicContact CG2-CB 4.36Å; T36-I74 HydrophobicContact CG2-CG2 4Å; T36-L75 HydrophobicContact CG2-CD2 3.88Å; T36-L75 HydrophobicContact CG2-CG 3.88Å
37A97.8Very high97.6Very high0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-61.9-52.9176.600000111.9V33 F35 H39 N40 H41 L42V33-A37 WeakPolarHBondContact O-CB 3.37Å; V33-A37 PolarHBondContact O-N 2.74Å; F35-A37 PolarHBondContact O-N 2.98Å; A37-H39 PolarHBondContact O-N 2.62Å; A37-N40 CarbonylContact O-C 3.52Å; A37-N40 PolarHBondContact O-N 3.13Å; A37-N40 VanDerWaalsContact O-N 3.13Å; A37-H41 PolarHBondContact O-N 3.2Å; A37-L42 CarbonylContact C-O 3.45Å; A37-L42 PolarHBondContact O-N 2.9Å
38R97Very high97.6Very high166 Ų16663.3 Ų63.363%0.62631%0.308SS*.Hα-helixtrans-66.1-39.3-177.1-72.1-179.4177170.90.8113.1T34 F35 N40 H41T34-R38 WeakPolarHBondContact O-CB 3.44Å; T34-R38 WeakPolarHBondContact O-CG 3.43Å; T34-R38 PolarHBondContact O-N 2.87Å; F35-R38 PolarHBondContact O-N 3.3Å; R38-N40 PolarHBondContact O-N 2.84Å; R38-H41 PolarHBondContact O-N 2.71Å; R38-H41 VanDerWaalsContact O-N 3.08Å
39H97.6Very high97.7Very high129 Ų12959 Ų5960%0.59729%0.287SS*.Hα-helixtrans-60.3-29.4176-176.572000112F35 A37F35-H39 WeakPolarHBondContact O-CB 3.45Å; F35-H39 PolarHBondContact O-N 3.41Å; A37-H39 PolarHBondContact O-N 2.62Å
40N97.3Very high97.7Very high71 Ų7161.1 Ų61.138%0.3830%0.296SS..THydrogen-bonded Turntrans-98.413177.9-72.3-91.4000113.5T36 A37 R38 L42 L75T36-N40 PolarHBondContact O-N 2.96Å; T36-N40 PolarHBondContact O-ND2 3.2Å; A37-N40 CarbonylContact O-C 3.52Å; A37-N40 PolarHBondContact O-N 3.13Å; A37-N40 VanDerWaalsContact O-N 3.13Å; R38-N40 PolarHBondContact O-N 2.84Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 HydrophobicContact CB-CD1 4.14Å; N40-L42 HydrophobicContact CB-CG 4.39Å; N40-L42 PolarHBondContact O-N 3.39Å; N40-L75 HydrophobicContact CB-CD2 3.67Å
41H96.1Very high97.6Very high180 Ų18063.6 Ų63.683%0.83331%0.311SS*.THydrogen-bonded Turntrans56.537.1-178.9-52.3-70.1000114.1A37 R38A37-H41 PolarHBondContact O-N 3.2Å; R38-H41 PolarHBondContact O-N 2.71Å; R38-H41 VanDerWaalsContact O-N 3.08Å
42L97.7Very high97.5Very high30 Ų3056.3 Ų56.316%0.15729%0.285CS..  trans-109.3153.8176.7-65.5168.4000111A37 N40 L75 C78 K79 A82A37-L42 CarbonylContact C-O 3.45Å; A37-L42 PolarHBondContact O-N 2.9Å; N40-L42 VanDerWaalsContact C-N 3.28Å; N40-L42 HydrophobicContact CB-CD1 4.14Å; N40-L42 HydrophobicContact CB-CG 4.39Å; N40-L42 PolarHBondContact O-N 3.39Å; L42-L75 HydrophobicContact CD1-CD2 3.62Å; L42-C78 HydrophobicContact CB-CB 3.94Å; L42-C78 HydrophobicContact CD1-CB 3.85Å; L42-C78 HydrophobicContact CG-CB 4.47Å; L42-K79 HydrophobicContact CD1-CG 3.58Å; L42-K79 HydrophobicContact CD2-CG 3.9Å; L42-K79 HydrophobicContact CG-CG 4.4Å; L42-A82 HydrophobicContact CD2-CB 4.34Å
43P97.8Very high97.5Very high11 Ų1152.4 Ų52.47%0.07127%0.271CS..PPolyproline II helixtrans-64.2140.7177.128-35.3000111.2A82 D88 F90P43-A82 HydrophobicContact CG-CB 3.91Å; P43-D88 CarbonylContact C-O 3.39Å; P43-D88 VanDerWaalsContact CA-O 3.3Å; P43-D88 WeakPolarHBondContact CA-O 3.46Å; P43-F90 HydrophobicContact CB-CD1 4.06Å; P43-F90 HydrophobicContact CG-CD1 4.15Å; P43-F90 WeakPolarHBondContact O-CE1 3.28Å
44A97.4Very high97.4Very high4 Ų454.6 Ų54.63%0.03328%0.282CS..EExtended strand (participates in β ladder)trans-91.7158.3177.300000111.7T34 G46 D88 T89 F90T34-A44 HydrophobicContact CG2-CB 4.33Å; A44-G46 PolarHBondContact O-N 3.4Å; A44-D88 PolarHBondContact N-O 2.85Å; A44-T89 CarbonylContact O-C 3.54Å; A44-T89 WeakPolarHBondContact O-CA 3.46Å; A44-F90 WeakPolarHBondContact O-CD1 3.48Å; A44-F90 PolarHBondContact O-N 2.89Å
45P98Very high97.3Very high10 Ų1059.9 Ų59.97%0.06530%0.299CS..EExtended strand (participates in β ladder)trans-64.1131.4177-16.328.2000112V33 A49 W50 L53 F90V33-P45 HydrophobicContact CG1-CG 3.93Å; P45-A49 HydrophobicContact CB-CB 4Å; P45-W50 HydrophobicContact CB-CD2 3.98Å; P45-W50 HydrophobicContact CB-CE3 4.2Å; P45-W50 HydrophobicContact CB-CH2 4.07Å; P45-W50 HydrophobicContact CB-CZ2 3.83Å; P45-W50 HydrophobicContact CB-CZ3 4.25Å; P45-W50 HydrophobicContact CG-CD2 4.45Å; P45-W50 HydrophobicContact CG-CE3 4.24Å; P45-W50 HydrophobicContact CG-CH2 3.61Å; P45-W50 HydrophobicContact CG-CZ2 3.84Å; P45-W50 HydrophobicContact CG-CZ3 3.83Å; P45-L53 HydrophobicContact CB-CD2 4.37Å; P45-L53 HydrophobicContact CG-CD2 3.63Å; P45-F90 HydrophobicContact CB-CE1 4.36Å; P45-F90 HydrophobicContact CB-CE2 3.99Å; P45-F90 HydrophobicContact CB-CZ 3.77Å; P45-F90 HydrophobicContact CG-CE1 4.07Å; P45-F90 HydrophobicContact CG-CE2 4.29Å; P45-F90 HydrophobicContact CG-CZ 3.58Å
46G97.3Very high97.2Very high13 Ų1355.9 Ų55.913%0.13428%0.281CS..PPolyproline II helixtrans-68.7167.6165.400000111.8A44 D48 A49 W50 F90A44-G46 PolarHBondContact O-N 3.4Å; G46-D48 PolarHBondContact O-N 3.49Å; G46-A49 WeakPolarHBondContact O-CB 3.14Å; G46-A49 PolarHBondContact O-N 2.87Å; G46-W50 PolarHBondContact O-NE1 3.06Å; G46-F90 WeakPolarHBondContact CA-O 3.41Å; G46-F90 PolarHBondContact N-O 2.84Å
47A96.7Very high97.1Very high91 Ų9155.6 Ų55.675%0.75228%0.28SS*.THydrogen-bonded Turntrans-56.6-38-175.900000113.1
48D97.5Very high97Very high90 Ų9056 Ų5648%0.48128%0.283SS..THydrogen-bonded Turntrans-79.8-15.9179.664.7-40.6000113.9G46 S91 G92G46-D48 PolarHBondContact O-N 3.49Å; D48-S91 WeakPolarHBondContact OD2-CB 3.44Å; D48-G92 VanDerWaalsContact CG-N 3.31Å; D48-G92 PolarHBondContact OD2-N 3.47Å
49A98Very high96.9Very high0 Ų049.5 Ų49.50%026%0.259CS..THydrogen-bonded Turntrans-82.6-24.3177.700000113.3P45 G46 I52 L53 F90 L95P45-A49 HydrophobicContact CB-CB 4Å; G46-A49 WeakPolarHBondContact O-CB 3.14Å; G46-A49 PolarHBondContact O-N 2.87Å; A49-I52 PolarHBondContact O-N 2.78Å; A49-L53 PolarHBondContact O-N 3.02Å; A49-F90 HydrophobicContact CB-CD2 3.94Å; A49-F90 HydrophobicContact CB-CE2 3.79Å; A49-L95 HydrophobicContact CB-CD2 4.43Å
50W97.8Very high96.8Very high47 Ų4749.9 Ų49.918%0.17826%0.256CS..Hα-helixtrans-58.2-46.9-176.3-70.1109.7000114.5W29 C30 V33 P45 G46 I52 L53 I54W29-W50 HydrophobicContact CZ3-CE3 4.5Å; W29-W50 HydrophobicContact CZ3-CZ3 4.34Å; C30-W50 HydrophobicContact CB-CE3 4.29Å; C30-W50 HydrophobicContact CB-CH2 3.85Å; C30-W50 HydrophobicContact CB-CZ2 4.22Å; C30-W50 HydrophobicContact CB-CZ3 3.88Å; C30-W50 WeakPolarHBondContact O-CH2 3.32Å; C30-W50 VanDerWaalsContact SG-CE3 3.58Å; V33-W50 HydrophobicContact CB-CH2 4.02Å; V33-W50 HydrophobicContact CB-CZ3 4.02Å; V33-W50 HydrophobicContact CG1-CH2 3.86Å; V33-W50 HydrophobicContact CG1-CZ3 3.87Å; V33-W50 HydrophobicContact CG2-CZ3 4.49Å; P45-W50 HydrophobicContact CB-CD2 3.98Å; P45-W50 HydrophobicContact CB-CE3 4.2Å; P45-W50 HydrophobicContact CB-CH2 4.07Å; P45-W50 HydrophobicContact CB-CZ2 3.83Å; P45-W50 HydrophobicContact CB-CZ3 4.25Å; P45-W50 HydrophobicContact CG-CD2 4.45Å; P45-W50 HydrophobicContact CG-CE3 4.24Å; P45-W50 HydrophobicContact CG-CH2 3.61Å; P45-W50 HydrophobicContact CG-CZ2 3.84Å; P45-W50 HydrophobicContact CG-CZ3 3.83Å; G46-W50 PolarHBondContact O-NE1 3.06Å; W50-I52 VanDerWaalsContact C-N 3.26Å; W50-I52 PolarHBondContact O-N 3.35Å; W50-L53 HydrophobicContact CE3-CD2 4.3Å; W50-L53 HydrophobicContact CZ3-CD2 4.13Å; W50-L53 PolarHBondContact O-N 3.24Å; W50-I54 WeakPolarHBondContact O-CB 3.35Å; W50-I54 VanDerWaalsContact O-CG1 3.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.14Å; W50-I54 PolarHBondContact O-N 3.35Å
51P95.8Very high96.7Very high77 Ų7748.1 Ų48.150%0.525%0.248SC..Hα-helixtrans-60.6-36.3-179.9-24.735.8000113.2R55P51-R55 PolarHBondContact O-N 3.33Å; P51-R55 VanDerWaalsContact O-N 3.13Å
52I96.6Very high96.5Very high23 Ų2340.7 Ų40.712%0.11822%0.22CC..Hα-helixtrans-70.3-46178-63.7157.6000109.8A49 W50 I54 R55 E56 G92 L95 N96 L99A49-I52 PolarHBondContact O-N 2.78Å; W50-I52 VanDerWaalsContact C-N 3.26Å; W50-I52 PolarHBondContact O-N 3.35Å; I52-I54 VanDerWaalsContact C-N 3.32Å; I52-I54 PolarHBondContact O-N 3.16Å; I52-R55 PolarHBondContact O-N 2.83Å; I52-E56 PolarHBondContact O-N 3.36Å; I52-G92 WeakPolarHBondContact CD1-O 3.5Å; I52-L95 HydrophobicContact CB-CD2 3.84Å; I52-L95 HydrophobicContact CG2-CD2 3.53Å; I52-L95 HydrophobicContact CG2-CG 3.88Å; I52-N96 VanDerWaalsContact CD1-ND2 3.32Å; I52-N96 WeakPolarHBondContact CD1-ND2 3.47Å; I52-N96 WeakPolarHBondContact CG2-OD1 3.24Å; I52-L99 HydrophobicContact CG2-CD1 3.95Å
53L97.9Very high96.4Very high3 Ų342.8 Ų42.82%0.01623%0.229CC..Hα-helixtrans-64.8-36.3179.4-174.460.4000112.5W29 V33 P45 A49 W50 E56 A57 W73 Q77 L95W29-L53 HydrophobicContact CH2-CD2 4.37Å; W29-L53 HydrophobicContact CH2-CG 4.04Å; W29-L53 HydrophobicContact CZ3-CG 4.49Å; V33-L53 HydrophobicContact CG1-CD2 3.94Å; P45-L53 HydrophobicContact CB-CD2 4.37Å; P45-L53 HydrophobicContact CG-CD2 3.63Å; A49-L53 PolarHBondContact O-N 3.02Å; W50-L53 HydrophobicContact CE3-CD2 4.3Å; W50-L53 HydrophobicContact CZ3-CD2 4.13Å; W50-L53 PolarHBondContact O-N 3.24Å; L53-E56 PolarHBondContact O-N 3.43Å; L53-A57 VanDerWaalsContact O-CB 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 3.01Å; L53-W73 HydrophobicContact CD1-CH2 3.9Å; L53-W73 HydrophobicContact CD1-CZ3 4.31Å; L53-Q77 HydrophobicContact CD1-CB 4.26Å; L53-Q77 HydrophobicContact CD1-CG 4.04Å; L53-L95 HydrophobicContact CB-CD2 3.87Å
54I96.6Very high96.2Very high47 Ų4747 Ų4724%0.24125%0.248CC..Hα-helixtrans-66-41.5174.8-72.1167.5000110.6V26 W29 W50 I52 A57 A58 L67V26-I54 HydrophobicContact CG1-CD1 4.15Å; W29-I54 HydrophobicContact CE3-CG1 4.48Å; W29-I54 HydrophobicContact CZ3-CG1 3.87Å; W50-I54 WeakPolarHBondContact O-CB 3.35Å; W50-I54 VanDerWaalsContact O-CG1 3.28Å; W50-I54 WeakPolarHBondContact O-CG1 3.14Å; W50-I54 PolarHBondContact O-N 3.35Å; I52-I54 VanDerWaalsContact C-N 3.32Å; I52-I54 PolarHBondContact O-N 3.16Å; I54-A57 WeakPolarHBondContact O-CB 3.23Å; I54-A57 PolarHBondContact O-N 2.85Å; I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.12Å; I54-L67 HydrophobicContact CG2-CD2 4.28Å
55R95.1Very high96.1Very high139 Ų13952.5 Ų52.553%0.52527%0.273SS..Hα-helixtrans-63.5-43.6175.6-172.2-176.7-61.4137.30.4111.8P51 I52 A57 A58 R59 S293P51-R55 PolarHBondContact O-N 3.33Å; P51-R55 VanDerWaalsContact O-N 3.13Å; I52-R55 PolarHBondContact O-N 2.83Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 2.72Å; R55-A58 PolarHBondContact O-N 2.98Å; R55-R59 WeakPolarHBondContact O-CB 3.35Å; R55-R59 PolarHBondContact O-N 2.88Å; R55-S293 PolarHBondContact O-OG 3.23Å
56E96.4Very high96.1Very high37 Ų3752.4 Ų52.417%0.17327%0.272CS..Hα-helixtrans-64.6-36.6176.2-175.863.2-173.500111.6I52 L53 R59 Y60 W73 L99 R102I52-E56 PolarHBondContact O-N 3.36Å; L53-E56 PolarHBondContact O-N 3.43Å; E56-R59 PolarHBondContact O-N 3.21Å; E56-Y60 WeakPolarHBondContact O-CB 3.41Å; E56-Y60 PolarHBondContact O-N 2.84Å; E56-W73 HydrophobicContact CG-CZ2 4.04Å; E56-L99 HydrophobicContact CG-CD2 4.07Å; E56-R102 IonicContact OE1-NH1 3.42Å
57A97.4Very high96.1Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-62.5-50.5172.500000112.3W29 L53 I54 R55 R59 Y60 T61 L67 P68 W73W29-A57 HydrophobicContact CH2-CB 3.73Å; W29-A57 HydrophobicContact CZ2-CB 3.75Å; L53-A57 VanDerWaalsContact O-CB 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 3.01Å; I54-A57 WeakPolarHBondContact O-CB 3.23Å; I54-A57 PolarHBondContact O-N 2.85Å; R55-A57 VanDerWaalsContact C-N 3.31Å; R55-A57 PolarHBondContact O-N 2.72Å; A57-R59 VanDerWaalsContact C-N 3.28Å; A57-R59 PolarHBondContact O-N 3.49Å; A57-Y60 PolarHBondContact O-N 2.98Å; A57-T61 PolarHBondContact O-N 2.98Å; A57-T61 PolarHBondContact O-OG1 3.11Å; A57-L67 HydrophobicContact CB-CD2 3.61Å; A57-P68 VanDerWaalsContact CB-CD 3.44Å; A57-P68 HydrophobicContact CB-CG 4.1Å; A57-W73 HydrophobicContact CB-CH2 3.59Å; A57-W73 HydrophobicContact CB-CZ2 4.14Å; A57-W73 HydrophobicContact CB-CZ3 4.26Å
58A95.2Very high96.1Very high8 Ų847.5 Ų47.57%0.06623%0.23CC..Hα-helixtrans-63-35177.300000112.1I54 R55 T61 G62 E63I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 3.12Å; R55-A58 PolarHBondContact O-N 2.98Å; A58-T61 WeakPolarHBondContact CA-OG1 3.12Å; A58-T61 PolarHBondContact O-OG1 2.92Å; A58-T61 VanDerWaalsContact O-OG1 3.09Å; A58-G62 PolarHBondContact O-N 2.97Å; A58-E63 PolarHBondContact O-N 2.76Å
59R95Very high96.1Very high30 Ų3045.4 Ų45.411%0.11322%0.219CC..Hα-helixtrans-64.8-44.9172.9-174.7174.4176.288.5-6.1111.6R55 E56 A57 G62 E265 S293 H295R55-R59 WeakPolarHBondContact O-CB 3.35Å; R55-R59 PolarHBondContact O-N 2.88Å; E56-R59 PolarHBondContact O-N 3.21Å; A57-R59 VanDerWaalsContact C-N 3.28Å; A57-R59 PolarHBondContact O-N 3.49Å; R59-G62 PolarHBondContact O-N 2.92Å; R59-E265 IonicContact CZ-OE1 3.9Å; R59-E265 IonicContact CZ-OE2 3.7Å; R59-E265 IonicContact NH1-OE1 3.58Å; R59-E265 PolarHBondContact NH1-OE1 3.33Å; R59-E265 IonicContact NH1-OE2 3.2Å; R59-E265 PolarHBondContact NH1-OE2 2.82Å; R59-E265 IonicContact NH2-OE1 3.08Å; R59-E265 PolarHBondContact NH2-OE1 3.16Å; R59-E265 IonicContact NH2-OE2 2.66Å; R59-E265 PolarHBondContact NH2-OE2 3.32Å; R59-S293 WeakPolarHBondContact CB-OG 3.33Å; R59-S293 PolarHBondContact NH1-O 3.4Å; R59-H295 PolarHBondContact NH2-NE2 3.49Å
60Y95.3Very high96Very high136 Ų13647 Ų4753%0.53323%0.23SC..Hα-helixtrans-64.8-38.1179.9174.1-97.3000113.1E56 A57 G62 P68 W73E56-Y60 WeakPolarHBondContact O-CB 3.41Å; E56-Y60 PolarHBondContact O-N 2.84Å; A57-Y60 PolarHBondContact O-N 2.98Å; Y60-G62 VanDerWaalsContact C-N 3.32Å; Y60-P68 HydrophobicContact CD1-CB 3.73Å; Y60-P68 HydrophobicContact CD1-CG 3.93Å; Y60-P68 HydrophobicContact CE1-CB 3.86Å; Y60-P68 HydrophobicContact CE1-CG 4.48Å; Y60-W73 AromaticContact CD1-CD1 3.63Å; Y60-W73 HydrophobicContact CD1-CD2 4.42Å; Y60-W73 HydrophobicContact CD1-CG 4.11Å; Y60-W73 AromaticContact CD1-NE1 3.63Å; Y60-W73 AromaticContact CD2-CD1 3.3Å; Y60-W73 HydrophobicContact CD2-CG 4.43Å; Y60-W73 AromaticContact CD2-NE1 3.26Å; Y60-W73 VanDerWaalsContact CD2-NE1 3.26Å; Y60-W73 HydrophobicContact CE1-CB 4.42Å; Y60-W73 AromaticContact CE1-CD1 3.7Å; Y60-W73 HydrophobicContact CE1-CG 4.06Å; Y60-W73 AromaticContact CE2-CD1 3.35Å; Y60-W73 HydrophobicContact CE2-CG 4.36Å; Y60-W73 AromaticContact CE2-NE1 3.85Å; Y60-W73 AromaticContact CG-CD1 3.42Å; Y60-W73 VanDerWaalsContact CG-CD1 3.42Å; Y60-W73 AromaticContact CG-CE2 3.9Å; Y60-W73 HydrophobicContact CG-CG 4.3Å; Y60-W73 AromaticContact CG-NE1 3.11Å; Y60-W73 AromaticContact CZ-CD1 3.55Å
61T95.1Very high96Very high35 Ų3547.8 Ų47.822%0.21524%0.241CC..Hα-helixtrans-78.3-19.8176.453.30000112.6T17 A57 A58 E63 T66 P68T17-T61 HydrophobicContact CG2-CG2 4.17Å; A57-T61 PolarHBondContact O-N 2.98Å; A57-T61 PolarHBondContact O-OG1 3.11Å; A58-T61 WeakPolarHBondContact CA-OG1 3.12Å; A58-T61 PolarHBondContact O-OG1 2.92Å; A58-T61 VanDerWaalsContact O-OG1 3.09Å; T61-E63 PolarHBondContact O-N 2.91Å; T61-E63 PolarHBondContact OG1-O 2.71Å; T61-T66 HydrophobicContact CG2-CG2 4.15Å; T61-T66 PolarHBondContact OG1-O 2.92Å; T61-P68 HydrophobicContact CG2-CB 4.11Å; T61-P68 HydrophobicContact CG2-CG 4.35Å
62G92.6Very high96Very high24 Ų2451.8 Ų51.825%0.24725%0.253CS..THydrogen-bonded Turntrans75.39.9-17500000113.6A58 R59 Y60 H291A58-G62 PolarHBondContact O-N 2.97Å; R59-G62 PolarHBondContact O-N 2.92Å; Y60-G62 VanDerWaalsContact C-N 3.32Å; G62-H291 WeakPolarHBondContact O-CA 3.31Å; G62-H291 WeakPolarHBondContact O-CB 3.24Å; G62-H291 PolarHBondContact O-CD2 3.41Å
63E94.1Very high96Very high74 Ų7451.3 Ų51.335%0.34625%0.25SC..  trans-136.9127.9-177.9-81.5-172.1-138.600111.2A58 T61 E65 T66A58-E63 PolarHBondContact O-N 2.76Å; T61-E63 PolarHBondContact O-N 2.91Å; T61-E63 PolarHBondContact OG1-O 2.71Å; E63-E65 PolarHBondContact O-N 2.92Å; E63-T66 WeakPolarHBondContact CB-OG1 3.47Å; E63-T66 PolarHBondContact O-N 3.49Å; E63-T66 PolarHBondContact OE2-OG1 3.34Å
64Q94.5Very high96Very high99 Ų9951.3 Ų51.346%0.46325%0.25SC..THydrogen-bonded Turntrans-59.2-30.9-176.1-75.7175.111.700114.1V289 R290 L292Q64-V289 PolarHBondContact NE2-O 3.47Å; Q64-R290 VanDerWaalsContact CG-O 3.31Å; Q64-R290 WeakPolarHBondContact CG-O 3.38Å; Q64-R290 PolarHBondContact N-O 3.27Å; Q64-L292 VanDerWaalsContact CG-O 3.31Å; Q64-L292 WeakPolarHBondContact CG-O 3.2Å; Q64-L292 PolarHBondContact NE2-O 3.13Å
65E95.4Very high96.1Very high120 Ų12050.2 Ų50.256%0.56124%0.244SC*.THydrogen-bonded Turntrans-103.920.2-176.3-64.6-173.5158.300112.5Q19 I20 E63Q19-E65 CarbonylContact C-O 3.55Å; Q19-E65 WeakPolarHBondContact CA-O 3.43Å; Q19-E65 VanDerWaalsContact CD-O 3.24Å; Q19-E65 PolarHBondContact NE2-O 3.28Å; Q19-E65 PolarHBondContact OE1-O 3.45Å; I20-E65 HydrophobicContact CB-CB 4.42Å; I20-E65 PolarHBondContact N-O 2.87Å; E63-E65 PolarHBondContact O-N 2.92Å
66T96.9Very high96.2Very high7 Ų747.8 Ų47.84%0.04324%0.235CC..EExtended strand (participates in β ladder)trans-132.2130.7-175-50.10000110.9T17 L18 Q19 T61 E63T17-T66 HydrophobicContact CG2-CG2 3.97Å; L18-T66 WeakPolarHBondContact O-CA 3.4Å; Q19-T66 PolarHBondContact OE1-OG1 3.5Å; T61-T66 HydrophobicContact CG2-CG2 4.15Å; T61-T66 PolarHBondContact OG1-O 2.92Å; E63-T66 WeakPolarHBondContact CB-OG1 3.47Å; E63-T66 PolarHBondContact O-N 3.49Å; E63-T66 PolarHBondContact OE2-OG1 3.34Å
67L97.8Very high96.2Very high0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-118.1140.5-178.2-58.7172.7000111T17 L18 I20 W29 I54 A57T17-L67 CarbonylContact C-O 3.54Å; T17-L67 VanDerWaalsContact CA-O 3.28Å; T17-L67 WeakPolarHBondContact CA-O 3.34Å; L18-L67 PolarHBondContact N-O 2.88Å; L18-L67 PolarHBondContact O-N 3.37Å; I20-L67 HydrophobicContact CD1-CD1 3.87Å; I20-L67 HydrophobicContact CD1-CD2 4.14Å; I20-L67 HydrophobicContact CD1-CG 3.84Å; I20-L67 HydrophobicContact CG1-CD1 3.87Å; I20-L67 HydrophobicContact CG1-CG 3.95Å; W29-L67 HydrophobicContact CB-CD1 3.92Å; W29-L67 HydrophobicContact CD2-CB 4.08Å; W29-L67 HydrophobicContact CD2-CD1 3.67Å; W29-L67 HydrophobicContact CD2-CG 4.36Å; W29-L67 HydrophobicContact CE3-CD1 3.94Å; W29-L67 HydrophobicContact CG-CB 4.03Å; W29-L67 HydrophobicContact CG-CD1 3.66Å; W29-L67 HydrophobicContact CG-CG 4.47Å; W29-L67 HydrophobicContact CZ2-CB 4.32Å; I54-L67 HydrophobicContact CG2-CD2 4.28Å; A57-L67 HydrophobicContact CB-CD2 3.61Å
68P97.6Very high96.3Very high2 Ų246.1 Ų46.11%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-74.5136.9-178.630.5-32.2000111.4W29 A57 Y60 T61 W73W29-P68 HydrophobicContact CZ2-CG 4.47Å; W29-P68 PolarHBondContact NE1-O 3.49Å; A57-P68 VanDerWaalsContact CB-CD 3.44Å; A57-P68 HydrophobicContact CB-CG 4.1Å; Y60-P68 HydrophobicContact CD1-CB 3.73Å; Y60-P68 HydrophobicContact CD1-CG 3.93Å; Y60-P68 HydrophobicContact CE1-CB 3.86Å; Y60-P68 HydrophobicContact CE1-CG 4.48Å; T61-P68 HydrophobicContact CG2-CB 4.11Å; T61-P68 HydrophobicContact CG2-CG 4.35Å; P68-W73 HydrophobicContact CB-CD2 4.35Å; P68-W73 HydrophobicContact CB-CE3 4.32Å; P68-W73 HydrophobicContact CG-CD2 3.65Å; P68-W73 HydrophobicContact CG-CE3 3.43Å; P68-W73 VanDerWaalsContact CG-CE3 3.43Å; P68-W73 HydrophobicContact CG-CG 4.34Å; P68-W73 HydrophobicContact CG-CH2 4Å; P68-W73 HydrophobicContact CG-CZ2 4.16Å; P68-W73 HydrophobicContact CG-CZ3 3.64Å
69L97.4Very high96.4Very high46 Ų4651.7 Ų51.724%0.24125%0.25CC..  trans-92.7-14.2172.7-68.2172.7000112.8D16 T17 L18 W32 P71D16-L69 WeakPolarHBondContact O-CB 3.42Å; D16-L69 PolarHBondContact O-N 3.21Å; T17-L69 WeakPolarHBondContact O-CD1 3.37Å; L18-L69 HydrophobicContact CB-CD1 4.4Å; L18-L69 HydrophobicContact CB-CD2 4.02Å; L18-L69 HydrophobicContact CB-CG 4.15Å; W32-L69 PolarHBondContact NE1-O 3.12Å; L69-P71 WeakPolarHBondContact O-CD 3.33Å
70S96.2Very high96.5Very high34 Ų3452.2 Ų52.224%0.23825%0.253CS..  trans-53.7116.3-177177.60000112.8Q72 W73 I74S70-Q72 PolarHBondContact O-N 3.39Å; S70-Q72 PolarHBondContact OG-N 3.23Å; S70-W73 PolarHBondContact O-N 3.07Å; S70-I74 WeakPolarHBondContact O-CG1 3.45Å; S70-I74 PolarHBondContact O-N 2.77Å
71P96.4Very high96.6Very high62 Ų6245.7 Ų45.740%0.40323%0.228SC..Hα-helixtrans-58.8-32.3174.5-16.623.2000112.4W32 T36 L69 I74 L75W32-P71 HydrophobicContact CZ2-CG 4Å; T36-P71 HydrophobicContact CG2-CB 4.34Å; L69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-I74 PolarHBondContact O-N 2.84Å; P71-L75 VanDerWaalsContact O-CB 3.23Å; P71-L75 WeakPolarHBondContact O-CB 3.46Å; P71-L75 WeakPolarHBondContact O-CG 3.45Å; P71-L75 PolarHBondContact O-N 3.48Å
72Q96.4Very high96.7Very high161 Ų16145.5 Ų45.575%0.75223%0.23SC*.Hα-helixtrans-65.2-43.3-178.9-66.9-179.4-20.900111.2S70 R76S70-Q72 PolarHBondContact O-N 3.39Å; S70-Q72 PolarHBondContact OG-N 3.23Å; Q72-R76 WeakPolarHBondContact O-CB 3.24Å; Q72-R76 PolarHBondContact O-N 2.88Å
73W97Very high96.7Very high14 Ų1449 Ų495%0.05325%0.251CS..Hα-helixtrans-63.2-47.2176-179.589.5000111.2W29 L53 E56 A57 Y60 P68 S70 L75 R76 Q77W29-W73 HydrophobicContact CH2-CZ3 4.28Å; W29-W73 HydrophobicContact CZ2-CH2 4.39Å; W29-W73 AromaticContact CZ2-CZ3 3.87Å; W29-W73 HydrophobicContact CZ2-CZ3 3.87Å; L53-W73 HydrophobicContact CD1-CH2 3.9Å; L53-W73 HydrophobicContact CD1-CZ3 4.31Å; E56-W73 HydrophobicContact CG-CZ2 4.04Å; A57-W73 HydrophobicContact CB-CH2 3.59Å; A57-W73 HydrophobicContact CB-CZ2 4.14Å; A57-W73 HydrophobicContact CB-CZ3 4.26Å; Y60-W73 AromaticContact CD1-CD1 3.63Å; Y60-W73 HydrophobicContact CD1-CD2 4.42Å; Y60-W73 HydrophobicContact CD1-CG 4.11Å; Y60-W73 AromaticContact CD1-NE1 3.63Å; Y60-W73 AromaticContact CD2-CD1 3.3Å; Y60-W73 HydrophobicContact CD2-CG 4.43Å; Y60-W73 AromaticContact CD2-NE1 3.26Å; Y60-W73 VanDerWaalsContact CD2-NE1 3.26Å; Y60-W73 HydrophobicContact CE1-CB 4.42Å; Y60-W73 AromaticContact CE1-CD1 3.7Å; Y60-W73 HydrophobicContact CE1-CG 4.06Å; Y60-W73 AromaticContact CE2-CD1 3.35Å; Y60-W73 HydrophobicContact CE2-CG 4.36Å; Y60-W73 AromaticContact CE2-NE1 3.85Å; Y60-W73 AromaticContact CG-CD1 3.42Å; Y60-W73 VanDerWaalsContact CG-CD1 3.42Å; Y60-W73 AromaticContact CG-CE2 3.9Å; Y60-W73 HydrophobicContact CG-CG 4.3Å; Y60-W73 AromaticContact CG-NE1 3.11Å; Y60-W73 AromaticContact CZ-CD1 3.55Å; P68-W73 HydrophobicContact CB-CD2 4.35Å; P68-W73 HydrophobicContact CB-CE3 4.32Å; P68-W73 HydrophobicContact CG-CD2 3.65Å; P68-W73 HydrophobicContact CG-CE3 3.43Å; P68-W73 VanDerWaalsContact CG-CE3 3.43Å; P68-W73 HydrophobicContact CG-CG 4.34Å; P68-W73 HydrophobicContact CG-CH2 4Å; P68-W73 HydrophobicContact CG-CZ2 4.16Å; P68-W73 HydrophobicContact CG-CZ3 3.64Å; S70-W73 PolarHBondContact O-N 3.07Å; W73-L75 PolarHBondContact O-N 3.23Å; W73-R76 WeakPolarHBondContact O-CB 3.43Å; W73-R76 PolarHBondContact O-N 3.31Å; W73-Q77 HydrophobicContact CH2-CG 4.28Å; W73-Q77 HydrophobicContact CZ2-CG 4.32Å; W73-Q77 HydrophobicContact CZ3-CG 4.37Å; W73-Q77 WeakPolarHBondContact O-CG 3.44Å; W73-Q77 PolarHBondContact O-N 3.28Å
74I98Very high96.8Very high3 Ų347.8 Ų47.82%0.01525%0.246CC..Hα-helixtrans-59.8-50.9178.6-63.7170.5000110.5W32 V33 T36 S70 P71 R76 Q77 C78W32-I74 HydrophobicContact CG-CD1 4.48Å; V33-I74 HydrophobicContact CB-CG2 4.41Å; V33-I74 HydrophobicContact CG1-CG2 4.09Å; V33-I74 HydrophobicContact CG2-CD1 3.96Å; V33-I74 HydrophobicContact CG2-CG1 4.22Å; V33-I74 HydrophobicContact CG2-CG2 4.36Å; T36-I74 HydrophobicContact CG2-CB 4.36Å; T36-I74 HydrophobicContact CG2-CG2 4Å; S70-I74 WeakPolarHBondContact O-CG1 3.45Å; S70-I74 PolarHBondContact O-N 2.77Å; P71-I74 PolarHBondContact O-N 2.84Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 2.84Å; I74-Q77 PolarHBondContact O-N 2.91Å; I74-Q77 VanDerWaalsContact O-N 3.15Å; I74-C78 PolarHBondContact O-N 3.43Å; I74-C78 VanDerWaalsContact O-N 3.17Å
75L98.2Very high96.7Very high23 Ų2344 Ų4412%0.1223%0.231CC..Hα-helixtrans-63-32.2-178.5-71.8172.8000112.1T36 N40 L42 P71 W73 C78 K79T36-L75 HydrophobicContact CG2-CD2 3.88Å; T36-L75 HydrophobicContact CG2-CG 3.88Å; N40-L75 HydrophobicContact CB-CD2 3.67Å; L42-L75 HydrophobicContact CD1-CD2 3.62Å; P71-L75 VanDerWaalsContact O-CB 3.23Å; P71-L75 WeakPolarHBondContact O-CB 3.46Å; P71-L75 WeakPolarHBondContact O-CG 3.45Å; P71-L75 PolarHBondContact O-N 3.48Å; W73-L75 PolarHBondContact O-N 3.23Å; L75-C78 PolarHBondContact O-N 2.84Å; L75-K79 WeakPolarHBondContact O-CB 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.45Å; L75-K79 PolarHBondContact O-N 2.56Å
76R97.1Very high96.2Very high88 Ų8847.1 Ų47.133%0.33225%0.251SS..Hα-helixtrans-59-48.4174.1-177.3-179.4177.7-1740.7111.1Q72 W73 I74 C78 K79 E80 E106Q72-R76 WeakPolarHBondContact O-CB 3.24Å; Q72-R76 PolarHBondContact O-N 2.88Å; W73-R76 WeakPolarHBondContact O-CB 3.43Å; W73-R76 PolarHBondContact O-N 3.31Å; I74-R76 VanDerWaalsContact C-N 3.25Å; I74-R76 PolarHBondContact O-N 2.84Å; R76-C78 PolarHBondContact O-N 3.14Å; R76-K79 PolarHBondContact O-N 3.23Å; R76-E80 WeakPolarHBondContact CG-OE1 3.39Å; R76-E80 IonicContact CZ-OE1 2.99Å; R76-E80 IonicContact NE-OE1 3.41Å; R76-E80 PolarHBondContact NE-OE1 2.96Å; R76-E80 IonicContact NH2-OE1 3.09Å; R76-E80 WeakPolarHBondContact O-CG 3.48Å; R76-E80 PolarHBondContact O-N 3.29Å; R76-E80 VanDerWaalsContact O-N 3.08Å; R76-E106 IonicContact CZ-OE1 3.32Å; R76-E106 IonicContact NH2-OE1 2.73Å; R76-E106 PolarHBondContact NH2-OE1 3.49Å
77Q97.6Very high95.9Very high2 Ų248.8 Ų48.81%0.00927%0.269CS..Hα-helixtrans-60.5-48.9178.6-46.8-46.9-32.300111.3L53 W73 I74 V81L53-Q77 HydrophobicContact CD1-CB 4.26Å; L53-Q77 HydrophobicContact CD1-CG 4.04Å; W73-Q77 HydrophobicContact CH2-CG 4.28Å; W73-Q77 HydrophobicContact CZ2-CG 4.32Å; W73-Q77 HydrophobicContact CZ3-CG 4.37Å; W73-Q77 WeakPolarHBondContact O-CG 3.44Å; W73-Q77 PolarHBondContact O-N 3.28Å; I74-Q77 PolarHBondContact O-N 2.91Å; I74-Q77 VanDerWaalsContact O-N 3.15Å; Q77-V81 WeakPolarHBondContact O-CG1 3.32Å; Q77-V81 PolarHBondContact O-N 2.86Å; Q77-V81 VanDerWaalsContact O-N 3.17Å
78C97.8Very high95.7Very high1 Ų155.8 Ų55.81%0.00731%0.307CS..Hα-helixtrans-67.3-36.6-178.3-64.20000113.2L42 I74 L75 R76 A82L42-C78 HydrophobicContact CB-CB 3.94Å; L42-C78 HydrophobicContact CD1-CB 3.85Å; L42-C78 HydrophobicContact CG-CB 4.47Å; I74-C78 PolarHBondContact O-N 3.43Å; I74-C78 VanDerWaalsContact O-N 3.17Å; L75-C78 PolarHBondContact O-N 2.84Å; R76-C78 PolarHBondContact O-N 3.14Å; C78-A82 WeakPolarHBondContact O-CB 3.3Å; C78-A82 PolarHBondContact O-N 3.35Å
79K97.1Very high95.7Very high124 Ų12459.4 Ų59.454%0.53933%0.329SS..Hα-helixtrans-69.6-44.3178.1-77.1175.4-179.3178.30112.2L42 L75 R76 A82L42-K79 HydrophobicContact CD1-CG 3.58Å; L42-K79 HydrophobicContact CD2-CG 3.9Å; L42-K79 HydrophobicContact CG-CG 4.4Å; L75-K79 WeakPolarHBondContact O-CB 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.45Å; L75-K79 PolarHBondContact O-N 2.56Å; R76-K79 PolarHBondContact O-N 3.23Å; K79-A82 PolarHBondContact O-N 3.47Å
80E97.1Very high95.7Very high41 Ų4157.3 Ų57.319%0.19232%0.318CS..Hα-helixtrans-67.1-44.3-178.3-71.3-176.2-141.400110.9R76 A82 S83 M98 R102 R105R76-E80 WeakPolarHBondContact CG-OE1 3.39Å; R76-E80 IonicContact CZ-OE1 2.99Å; R76-E80 IonicContact NE-OE1 3.41Å; R76-E80 PolarHBondContact NE-OE1 2.96Å; R76-E80 IonicContact NH2-OE1 3.09Å; R76-E80 WeakPolarHBondContact O-CG 3.48Å; R76-E80 PolarHBondContact O-N 3.29Å; R76-E80 VanDerWaalsContact O-N 3.08Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 2.96Å; E80-S83 PolarHBondContact O-N 3.46Å; E80-S83 PolarHBondContact O-OG 2.77Å; E80-M98 HydrophobicContact CB-CG 3.66Å; E80-M98 HydrophobicContact CB-SD 3.63Å; E80-R102 IonicContact OE1-CZ 3.88Å; E80-R102 IonicContact OE1-NE 3.81Å; E80-R102 PolarHBondContact OE1-NE 2.68Å; E80-R102 IonicContact OE1-NH2 3.29Å; E80-R102 PolarHBondContact OE1-NH2 2.99Å; E80-R102 IonicContact OE2-CZ 2.85Å; E80-R102 IonicContact OE2-NE 3.86Å; E80-R102 PolarHBondContact OE2-NE 2.83Å; E80-R102 IonicContact OE2-NH2 2.93Å; E80-R102 PolarHBondContact OE2-NH2 3.19Å; E80-R102 VanDerWaalsContact OE2-NH2 3.09Å; E80-R105 IonicContact OE2-NH2 3.07Å; E80-R105 PolarHBondContact OE2-NH2 3.11Å
81V97.8Very high95.8Very high0 Ų057.2 Ų57.20%032%0.317CS..Hα-helixtrans-71.5-23.2-179.777.40000113.1Q77 S83 L84 F90 Q94 M98Q77-V81 WeakPolarHBondContact O-CG1 3.32Å; Q77-V81 PolarHBondContact O-N 2.86Å; Q77-V81 VanDerWaalsContact O-N 3.17Å; V81-S83 PolarHBondContact O-N 2.88Å; V81-S83 VanDerWaalsContact O-N 3.15Å; V81-L84 WeakPolarHBondContact O-CB 3.35Å; V81-L84 PolarHBondContact O-N 2.72Å; V81-F90 HydrophobicContact CG1-CB 4.2Å; V81-F90 HydrophobicContact CG1-CD1 3.45Å; V81-F90 VanDerWaalsContact CG1-CD1 3.45Å; V81-F90 HydrophobicContact CG1-CD2 4.17Å; V81-F90 HydrophobicContact CG1-CE1 3.72Å; V81-F90 HydrophobicContact CG1-CE2 4.4Å; V81-F90 HydrophobicContact CG1-CG 3.68Å; V81-F90 HydrophobicContact CG1-CZ 4.18Å; V81-F90 HydrophobicContact CG2-CB 3.95Å; V81-F90 HydrophobicContact CG2-CD2 4.12Å; V81-F90 HydrophobicContact CG2-CG 3.99Å; V81-Q94 HydrophobicContact CG2-CB 4.08Å; V81-M98 HydrophobicContact CB-CB 4.22Å; V81-M98 HydrophobicContact CB-CG 4.13Å; V81-M98 HydrophobicContact CG2-CB 4.19Å
82A97Very high95.9Very high31 Ų3154.5 Ų54.526%0.25630%0.3SS..Hα-helixtrans-57.8-29.7178.400000113L42 P43 C78 K79 E80 L84 C85L42-A82 HydrophobicContact CD2-CB 4.34Å; P43-A82 HydrophobicContact CG-CB 3.91Å; C78-A82 WeakPolarHBondContact O-CB 3.3Å; C78-A82 PolarHBondContact O-N 3.35Å; K79-A82 PolarHBondContact O-N 3.47Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 2.96Å; A82-L84 PolarHBondContact O-N 3.24Å; A82-C85 PolarHBondContact O-N 2.87Å; A82-C85 VanDerWaalsContact O-O 3.12Å
83S94.3Very high95.9Very high97 Ų9754.4 Ų54.468%0.67830%0.3SS*.THydrogen-bonded Turntrans-66.4-15.6175.7670000114.3E80 V81E80-S83 PolarHBondContact O-N 3.46Å; E80-S83 PolarHBondContact O-OG 2.77Å; V81-S83 PolarHBondContact O-N 2.88Å; V81-S83 VanDerWaalsContact O-N 3.15Å
84L95.4Very high96Very high48 Ų4856.1 Ų56.125%0.25131%0.309SS..THydrogen-bonded Turntrans-1074.9-178.8-53.4178.5000112.5V81 A82 Q94 L97 M98V81-L84 WeakPolarHBondContact O-CB 3.35Å; V81-L84 PolarHBondContact O-N 2.72Å; A82-L84 PolarHBondContact O-N 3.24Å; L84-Q94 PolarHBondContact O-NE2 3.36Å; L84-L97 HydrophobicContact CD1-CB 4.31Å; L84-L97 HydrophobicContact CD1-CD2 4.17Å; L84-L97 HydrophobicContact CD1-CG 4.09Å; L84-M98 HydrophobicContact CD1-CB 3.89Å
85C92.6Very high96Very high21 Ų2156.1 Ų56.114%0.14231%0.308CS..  trans-131.5133.3-173.5-176.50000111.8A82 G87 T89 F90A82-C85 PolarHBondContact O-N 2.87Å; A82-C85 VanDerWaalsContact O-O 3.12Å; C85-G87 PolarHBondContact SG-N 3.01Å; C85-G87 PolarHBondContact SG-O 3.25Å; C85-G87 VanDerWaalsContact SG-O 3.38Å; C85-T89 PolarHBondContact SG-O 2.81Å; C85-F90 HydrophobicContact CB-CB 4.49Å
86D84.6Confident95.9Very high185 Ų18558.1 Ų58.199%0.98932%0.319SS*.SBendtrans-95.32.3177-65.8-43.7000113.6
87G90.4Very high95.9Very high41 Ų4157.6 Ų57.642%0.42332%0.323SS..SBendtrans-134.3-173.7-172.200000114.6C85 T89C85-G87 PolarHBondContact SG-N 3.01Å; C85-G87 PolarHBondContact SG-O 3.25Å; C85-G87 VanDerWaalsContact SG-O 3.38Å; G87-T89 PolarHBondContact O-N 3.04Å
88D94.1Very high95.9Very high147 Ų14757.6 Ų57.679%0.78632%0.323SS*.SBendtrans-80.3-1.2-176.7-63.6-39.2000113.9P43 A44P43-D88 CarbonylContact C-O 3.39Å; P43-D88 VanDerWaalsContact CA-O 3.3Å; P43-D88 WeakPolarHBondContact CA-O 3.46Å; A44-D88 PolarHBondContact N-O 2.85Å
89T97.4Very high95.9Very high79 Ų7958.8 Ų58.849%0.48533%0.329SS..EExtended strand (participates in β ladder)trans-141.7141.8-179.558.50000112.3A44 C85 G87A44-T89 CarbonylContact O-C 3.54Å; A44-T89 WeakPolarHBondContact O-CA 3.46Å; C85-T89 PolarHBondContact SG-O 2.81Å; G87-T89 PolarHBondContact O-N 3.04Å
90F98Very high95.8Very high2 Ų258.7 Ų58.71%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-109.3142.3173.562.7-95.7000112.3P43 A44 P45 G46 A49 V81 C85 Q94 L95P43-F90 HydrophobicContact CB-CD1 4.06Å; P43-F90 HydrophobicContact CG-CD1 4.15Å; P43-F90 WeakPolarHBondContact O-CE1 3.28Å; A44-F90 WeakPolarHBondContact O-CD1 3.48Å; A44-F90 PolarHBondContact O-N 2.89Å; P45-F90 HydrophobicContact CB-CE1 4.36Å; P45-F90 HydrophobicContact CB-CE2 3.99Å; P45-F90 HydrophobicContact CB-CZ 3.77Å; P45-F90 HydrophobicContact CG-CE1 4.07Å; P45-F90 HydrophobicContact CG-CE2 4.29Å; P45-F90 HydrophobicContact CG-CZ 3.58Å; G46-F90 WeakPolarHBondContact CA-O 3.41Å; G46-F90 PolarHBondContact N-O 2.84Å; A49-F90 HydrophobicContact CB-CD2 3.94Å; A49-F90 HydrophobicContact CB-CE2 3.79Å; V81-F90 HydrophobicContact CG1-CB 4.2Å; V81-F90 HydrophobicContact CG1-CD1 3.45Å; V81-F90 VanDerWaalsContact CG1-CD1 3.45Å; V81-F90 HydrophobicContact CG1-CD2 4.17Å; V81-F90 HydrophobicContact CG1-CE1 3.72Å; V81-F90 HydrophobicContact CG1-CE2 4.4Å; V81-F90 HydrophobicContact CG1-CG 3.68Å; V81-F90 HydrophobicContact CG1-CZ 4.18Å; V81-F90 HydrophobicContact CG2-CB 3.95Å; V81-F90 HydrophobicContact CG2-CD2 4.12Å; V81-F90 HydrophobicContact CG2-CG 3.99Å; C85-F90 HydrophobicContact CB-CB 4.49Å; F90-Q94 HydrophobicContact CB-CB 4.45Å; F90-L95 HydrophobicContact CD2-CB 4.06Å; F90-L95 HydrophobicContact CE2-CB 4.03Å; F90-L95 HydrophobicContact CE2-CD1 4.06Å; F90-L95 HydrophobicContact CE2-CD2 4.09Å; F90-L95 HydrophobicContact CE2-CG 4.28Å
91S97.9Very high95.9Very high32 Ų3260.1 Ų60.122%0.22434%0.337CS..  trans-78.4166.9176.162.10000112.6D48 E93 Q94 L95D48-S91 WeakPolarHBondContact OD2-CB 3.44Å; S91-E93 VanDerWaalsContact C-N 3.29Å; S91-E93 PolarHBondContact O-N 3.06Å; S91-Q94 PolarHBondContact O-N 3.19Å; S91-Q94 WeakPolarHBondContact OG-CG 3.42Å; S91-Q94 PolarHBondContact OG-N 3.32Å; S91-Q94 PolarHBondContact OG-OE1 3.02Å; S91-L95 PolarHBondContact O-N 3.28Å
92G97.3Very high95.8Very high4 Ų460.4 Ų60.44%0.04134%0.338CS..Hα-helixtrans-63.6-34.8173.100000112.7D48 I52 L95 N96D48-G92 VanDerWaalsContact CG-N 3.31Å; D48-G92 PolarHBondContact OD2-N 3.47Å; I52-G92 WeakPolarHBondContact CD1-O 3.5Å; G92-L95 PolarHBondContact O-N 3.47Å; G92-N96 WeakPolarHBondContact O-CB 3.35Å; G92-N96 PolarHBondContact O-N 3.43Å
93E97.4Very high95.7Very high159 Ų15962.7 Ų62.774%0.74334%0.343SS*.Hα-helixtrans-62.7-46.3175.6-175178.2179.100111.6S91 L95 N96 L97S91-E93 VanDerWaalsContact C-N 3.29Å; S91-E93 PolarHBondContact O-N 3.06Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.38Å; E93-N96 PolarHBondContact O-N 2.85Å; E93-L97 WeakPolarHBondContact O-CB 3.25Å; E93-L97 PolarHBondContact O-N 2.98Å
94Q98.1Very high95.7Very high51 Ų5167.1 Ų67.124%0.23835%0.346CS..Hα-helixtrans-63.1-40.2176.1-73.4163.8-48.200111.9V81 L84 F90 S91 L97 M98V81-Q94 HydrophobicContact CG2-CB 4.08Å; L84-Q94 PolarHBondContact O-NE2 3.36Å; F90-Q94 HydrophobicContact CB-CB 4.45Å; S91-Q94 PolarHBondContact O-N 3.19Å; S91-Q94 WeakPolarHBondContact OG-CG 3.42Å; S91-Q94 PolarHBondContact OG-N 3.32Å; S91-Q94 PolarHBondContact OG-OE1 3.02Å; Q94-L97 PolarHBondContact O-N 3.12Å; Q94-M98 WeakPolarHBondContact O-CB 3.44Å; Q94-M98 PolarHBondContact O-N 3.38Å
95L98.1Very high95.8Very high2 Ų270.7 Ų70.71%0.0136%0.356CS..Hα-helixtrans-64.1-46.6176.9-179.362.4000111.5A49 I52 L53 F90 S91 G92 E93 L97 M98 L99A49-L95 HydrophobicContact CB-CD2 4.43Å; I52-L95 HydrophobicContact CB-CD2 3.84Å; I52-L95 HydrophobicContact CG2-CD2 3.53Å; I52-L95 HydrophobicContact CG2-CG 3.88Å; L53-L95 HydrophobicContact CB-CD2 3.87Å; F90-L95 HydrophobicContact CD2-CB 4.06Å; F90-L95 HydrophobicContact CE2-CB 4.03Å; F90-L95 HydrophobicContact CE2-CD1 4.06Å; F90-L95 HydrophobicContact CE2-CD2 4.09Å; F90-L95 HydrophobicContact CE2-CG 4.28Å; S91-L95 PolarHBondContact O-N 3.28Å; G92-L95 PolarHBondContact O-N 3.47Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.38Å; L95-L97 PolarHBondContact O-N 2.94Å; L95-M98 HydrophobicContact CD1-CE 3.51Å; L95-M98 WeakPolarHBondContact O-CB 3.25Å; L95-M98 PolarHBondContact O-N 3.26Å; L95-L99 HydrophobicContact CG-CD1 4.32Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.1Å
96N97Very high96Very high66 Ų6670.7 Ų70.735%0.35335%0.354SS..Hα-helixtrans-61.2-44.4176.7-81.1-25.2000112I52 G92 E93 M98 L99 Q100I52-N96 VanDerWaalsContact CD1-ND2 3.32Å; I52-N96 WeakPolarHBondContact CD1-ND2 3.47Å; I52-N96 WeakPolarHBondContact CG2-OD1 3.24Å; G92-N96 WeakPolarHBondContact O-CB 3.35Å; G92-N96 PolarHBondContact O-N 3.43Å; E93-N96 PolarHBondContact O-N 2.85Å; N96-M98 VanDerWaalsContact C-N 3.29Å; N96-M98 PolarHBondContact O-N 3.26Å; N96-L99 PolarHBondContact O-N 3.3Å; N96-Q100 WeakPolarHBondContact O-CG 3.22Å; N96-Q100 PolarHBondContact O-N 3.48Å
97L97.7Very high96.5Very high76 Ų7662.4 Ų62.440%0.39831%0.311SS..Hα-helixtrans-60-41.7176.8179.259.4000111.3L84 E93 Q94 L95 Q100 Q101L84-L97 HydrophobicContact CD1-CB 4.31Å; L84-L97 HydrophobicContact CD1-CD2 4.17Å; L84-L97 HydrophobicContact CD1-CG 4.09Å; E93-L97 WeakPolarHBondContact O-CB 3.25Å; E93-L97 PolarHBondContact O-N 2.98Å; Q94-L97 PolarHBondContact O-N 3.12Å; L95-L97 PolarHBondContact O-N 2.94Å; L97-Q100 PolarHBondContact O-N 3.46Å; L97-Q101 HydrophobicContact CD1-CG 4.39Å; L97-Q101 WeakPolarHBondContact O-CB 3.32Å; L97-Q101 VanDerWaalsContact O-CG 3.27Å; L97-Q101 WeakPolarHBondContact O-CG 3.46Å; L97-Q101 PolarHBondContact O-N 3.22Å
98M97.8Very high96.7Very high2 Ų266 Ų661%0.0132%0.316CS..Hα-helixtrans-61.3-45.3174.9-179.4-78-61.200111.9E80 V81 L84 Q94 L95 N96 Q101 R102E80-M98 HydrophobicContact CB-CG 3.66Å; E80-M98 HydrophobicContact CB-SD 3.63Å; V81-M98 HydrophobicContact CB-CB 4.22Å; V81-M98 HydrophobicContact CB-CG 4.13Å; V81-M98 HydrophobicContact CG2-CB 4.19Å; L84-M98 HydrophobicContact CD1-CB 3.89Å; Q94-M98 WeakPolarHBondContact O-CB 3.44Å; Q94-M98 PolarHBondContact O-N 3.38Å; L95-M98 HydrophobicContact CD1-CE 3.51Å; L95-M98 WeakPolarHBondContact O-CB 3.25Å; L95-M98 PolarHBondContact O-N 3.26Å; N96-M98 VanDerWaalsContact C-N 3.29Å; N96-M98 PolarHBondContact O-N 3.26Å; M98-Q101 PolarHBondContact O-N 3.5Å; M98-R102 PolarHBondContact O-N 2.8Å; M98-R102 PolarHBondContact SD-NH2 3.27Å
99L96.7Very high96.8Very high27 Ų2761.8 Ų61.814%0.14129%0.293CS..Hα-helixtrans-62.6-43.6178.9-69.3172.3000111.7I52 E56 L95 N96 Q101 R102 E103I52-L99 HydrophobicContact CG2-CD1 3.95Å; E56-L99 HydrophobicContact CG-CD2 4.07Å; L95-L99 HydrophobicContact CG-CD1 4.32Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.1Å; N96-L99 PolarHBondContact O-N 3.3Å; L99-Q101 PolarHBondContact O-N 2.85Å; L99-R102 WeakPolarHBondContact O-CB 3.32Å; L99-R102 PolarHBondContact O-N 2.99Å; L99-E103 WeakPolarHBondContact O-CB 3.46Å; L99-E103 PolarHBondContact O-N 3.33Å
100Q96Very high96.6Very high121 Ų12158.9 Ų58.957%0.56528%0.277SS*.Hα-helixtrans-61.5-44.2174.7-71.5173.1-2.500111.9N96 L97 R102 E103 W104N96-Q100 WeakPolarHBondContact O-CG 3.22Å; N96-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 PolarHBondContact O-N 3.46Å; Q100-R102 VanDerWaalsContact C-N 3.29Å; Q100-R102 PolarHBondContact O-N 2.91Å; Q100-E103 PolarHBondContact O-N 2.89Å; Q100-W104 WeakPolarHBondContact O-CB 3.19Å; Q100-W104 PolarHBondContact O-N 3.32Å
101Q97.5Very high96.5Very high72 Ų7262.7 Ų62.734%0.33630%0.295SS..Hα-helixtrans-63.8-36.1175.8-72.8175.9000111.7L97 M98 L99 R105L97-Q101 HydrophobicContact CD1-CG 4.39Å; L97-Q101 WeakPolarHBondContact O-CB 3.32Å; L97-Q101 VanDerWaalsContact O-CG 3.27Å; L97-Q101 WeakPolarHBondContact O-CG 3.46Å; L97-Q101 PolarHBondContact O-N 3.22Å; M98-Q101 PolarHBondContact O-N 3.5Å; L99-Q101 PolarHBondContact O-N 2.85Å; Q101-R105 VanDerWaalsContact O-CG 3.29Å; Q101-R105 WeakPolarHBondContact O-CG 3.38Å; Q101-R105 PolarHBondContact O-N 3.4Å; Q101-R105 VanDerWaalsContact O-N 3.12Å; Q101-R105 PolarHBondContact O-NH1 3.17Å; Q101-R105 VanDerWaalsContact O-NH1 3.08Å
102R96.5Very high96.4Very high5 Ų566.9 Ų66.92%0.01931%0.306CS..Hα-helixtrans-65-51.6175179.7-170.3-65.3158.35.5110.7E56 E80 M98 L99 Q100 W104 R105 E106E56-R102 IonicContact OE1-NH1 3.42Å; E80-R102 IonicContact OE1-CZ 3.88Å; E80-R102 IonicContact OE1-NE 3.81Å; E80-R102 PolarHBondContact OE1-NE 2.68Å; E80-R102 IonicContact OE1-NH2 3.29Å; E80-R102 PolarHBondContact OE1-NH2 2.99Å; E80-R102 IonicContact OE2-CZ 2.85Å; E80-R102 IonicContact OE2-NE 3.86Å; E80-R102 PolarHBondContact OE2-NE 2.83Å; E80-R102 IonicContact OE2-NH2 2.93Å; E80-R102 PolarHBondContact OE2-NH2 3.19Å; E80-R102 VanDerWaalsContact OE2-NH2 3.09Å; M98-R102 PolarHBondContact O-N 2.8Å; M98-R102 PolarHBondContact SD-NH2 3.27Å; L99-R102 WeakPolarHBondContact O-CB 3.32Å; L99-R102 PolarHBondContact O-N 2.99Å; Q100-R102 VanDerWaalsContact C-N 3.29Å; Q100-R102 PolarHBondContact O-N 2.91Å; R102-W104 VanDerWaalsContact C-N 3.28Å; R102-W104 PolarHBondContact O-N 3.1Å; R102-R105 PolarHBondContact O-N 3.05Å; R102-R105 VanDerWaalsContact O-N 3.09Å; R102-E106 VanDerWaalsContact CG-CD 3.48Å; R102-E106 HydrophobicContact CG-CG 4.32Å; R102-E106 WeakPolarHBondContact CG-OE1 3.39Å; R102-E106 WeakPolarHBondContact O-CB 3.47Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 3.44Å
103E94.6Very high96.2Very high79 Ų7967.5 Ų67.537%0.36931%0.307SS..Hα-helixtrans-54.5-46178.1-175.3173.7-165.700111.1L99 Q100 R105 E106 G107 H295L99-E103 WeakPolarHBondContact O-CB 3.46Å; L99-E103 PolarHBondContact O-N 3.33Å; Q100-E103 PolarHBondContact O-N 2.89Å; E103-R105 PolarHBondContact O-N 3.49Å; E103-E106 CarbonylContact O-C 3.56Å; E103-E106 PolarHBondContact O-N 2.83Å; E103-E106 VanDerWaalsContact O-N 3.15Å; E103-G107 WeakPolarHBondContact O-CA 3.16Å; E103-G107 PolarHBondContact O-N 2.95Å; E103-H295 IonicContact OE1-CE1 3.62Å; E103-H295 PolarHBondContact OE1-CE1 3.48Å; E103-H295 IonicContact OE1-ND1 3.85Å
104W95.7Very high96.1Very high191 Ų19162.1 Ų62.172%0.72328%0.282SS*.Hα-helixtrans-60.7-42175.6178.275.7000113.6Q100 R102 E106 G107Q100-W104 WeakPolarHBondContact O-CB 3.19Å; Q100-W104 PolarHBondContact O-N 3.32Å; R102-W104 VanDerWaalsContact C-N 3.28Å; R102-W104 PolarHBondContact O-N 3.1Å; W104-E106 PolarHBondContact O-N 3.29Å; W104-G107 PolarHBondContact O-N 2.86Å
105R96.4Very high96Very high123 Ų12362.2 Ų62.246%0.46428%0.284SS..Hα-helixtrans-65.8-28.3176.8-71.7-175.6-47.1-93.17.8112.8E80 Q101 R102 E103E80-R105 IonicContact OE2-NH2 3.07Å; E80-R105 PolarHBondContact OE2-NH2 3.11Å; Q101-R105 VanDerWaalsContact O-CG 3.29Å; Q101-R105 WeakPolarHBondContact O-CG 3.38Å; Q101-R105 PolarHBondContact O-N 3.4Å; Q101-R105 VanDerWaalsContact O-N 3.12Å; Q101-R105 PolarHBondContact O-NH1 3.17Å; Q101-R105 VanDerWaalsContact O-NH1 3.08Å; R102-R105 PolarHBondContact O-N 3.05Å; R102-R105 VanDerWaalsContact O-N 3.09Å; E103-R105 PolarHBondContact O-N 3.49Å
106E95.9Very high96Very high21 Ų2166 Ų6610%0.09830%0.302CS..Hα-helixtrans-102.7-0.5-175.2-61.7174.8171.100112.8R76 R102 E103 W104 H145 P146 R147R76-E106 IonicContact CZ-OE1 3.32Å; R76-E106 IonicContact NH2-OE1 2.73Å; R76-E106 PolarHBondContact NH2-OE1 3.49Å; R102-E106 VanDerWaalsContact CG-CD 3.48Å; R102-E106 HydrophobicContact CG-CG 4.32Å; R102-E106 WeakPolarHBondContact CG-OE1 3.39Å; R102-E106 WeakPolarHBondContact O-CB 3.47Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 3.44Å; E103-E106 CarbonylContact O-C 3.56Å; E103-E106 PolarHBondContact O-N 2.83Å; E103-E106 VanDerWaalsContact O-N 3.15Å; W104-E106 PolarHBondContact O-N 3.29Å; E106-H145 PolarHBondContact O-CE1 3.22Å; E106-H145 PolarHBondContact O-NE2 3.5Å; E106-P146 HydrophobicContact CB-CG 4.33Å; E106-P146 HydrophobicContact CG-CG 3.66Å; E106-R147 HydrophobicContact CB-CB 4.44Å; E106-R147 IonicContact OE2-CZ 3.39Å; E106-R147 IonicContact OE2-NE 3.26Å; E106-R147 PolarHBondContact OE2-NE 3.34Å; E106-R147 IonicContact OE2-NH2 3.84Å; E106-R147 PolarHBondContact OE2-NH2 2.96Å
107G95.5Very high96Very high10 Ų1062.8 Ų62.810%0.10329%0.285CS..  trans-92.1-12.6-167.400000115.6E103 W104 L109 A110 E111E103-G107 WeakPolarHBondContact O-CA 3.16Å; E103-G107 PolarHBondContact O-N 2.95Å; W104-G107 PolarHBondContact O-N 2.86Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.1Å; G107-L109 VanDerWaalsContact O-N 3.15Å; G107-A110 PolarHBondContact O-N 3.22Å; G107-E111 PolarHBondContact O-N 3.32Å
108F95.9Very high95.9Very high118 Ų11862 Ų6252%0.51828%0.281SS..Hα-helixtrans-53.2-43.3-168.8175.8-99.2000114.4R112F108-R112 HydrophobicContact CD1-CG 4.46Å; F108-R112 HydrophobicContact CE1-CG 3.99Å; F108-R112 HydrophobicContact CE2-CG 4.1Å; F108-R112 HydrophobicContact CZ-CG 3.8Å; F108-R112 WeakPolarHBondContact O-CB 3.48Å; F108-R112 WeakPolarHBondContact O-CG 3.49Å; F108-R112 PolarHBondContact O-N 2.94Å
109L94.6Very high95.9Very high58 Ų5867.7 Ų67.730%0.30431%0.307SS..Hα-helixtrans-70.6-39.2-179-65.3178.7000112.2G107 R112 M113 F142 F149G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.1Å; G107-L109 VanDerWaalsContact O-N 3.15Å; L109-R112 PolarHBondContact O-N 3.02Å; L109-M113 PolarHBondContact O-N 3.21Å; L109-M113 VanDerWaalsContact O-N 3.1Å; L109-F142 HydrophobicContact CB-CE2 4.48Å; L109-F142 HydrophobicContact CD1-CD2 3.54Å; L109-F142 HydrophobicContact CD1-CE2 3.79Å; L109-F142 HydrophobicContact CD1-CG 4.22Å; L109-F149 HydrophobicContact CB-CE1 4.02Å; L109-F149 HydrophobicContact CB-CZ 4.37Å
110A94.5Very high95.8Very high17 Ų1774.1 Ų74.114%0.1434%0.337CS..Hα-helixtrans-65.4-44.1176.200000110.9G107 R112 M113 Q114 F149G107-A110 PolarHBondContact O-N 3.22Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.27Å; A110-M113 PolarHBondContact O-N 3.13Å; A110-Q114 VanDerWaalsContact O-CG 3.28Å; A110-Q114 WeakPolarHBondContact O-CG 3.37Å; A110-Q114 PolarHBondContact O-N 3.39Å; A110-F149 HydrophobicContact CB-CB 3.97Å; A110-F149 HydrophobicContact CB-CD1 4.2Å; A110-F149 HydrophobicContact CB-CD2 4.13Å; A110-F149 HydrophobicContact CB-CG 3.84Å
111E95.7Very high95.8Very high83 Ų8373.5 Ų73.539%0.38833%0.334SS..Hα-helixtrans-59.6-42.6174.9-71.7176.9-17100111.8G107 M113 Q114 D115G107-E111 PolarHBondContact O-N 3.32Å; E111-M113 PolarHBondContact O-N 3.3Å; E111-Q114 PolarHBondContact O-N 3.33Å; E111-D115 WeakPolarHBondContact O-CB 3.29Å; E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.95Å
112R95.3Very high95.8Very high120 Ų12071.5 Ų71.545%0.45333%0.325SS..Hα-helixtrans-61.5-43.1176.7-80.3-65107.4107.43.5112.9F108 L109 A110 D115 E116F108-R112 HydrophobicContact CD1-CG 4.46Å; F108-R112 HydrophobicContact CE1-CG 3.99Å; F108-R112 HydrophobicContact CE2-CG 4.1Å; F108-R112 HydrophobicContact CZ-CG 3.8Å; F108-R112 WeakPolarHBondContact O-CB 3.48Å; F108-R112 WeakPolarHBondContact O-CG 3.49Å; F108-R112 PolarHBondContact O-N 2.94Å; L109-R112 PolarHBondContact O-N 3.02Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.27Å; R112-D115 IonicContact CZ-OD2 3.32Å; R112-D115 IonicContact NE-OD2 3.5Å; R112-D115 PolarHBondContact NE-OD2 3.41Å; R112-D115 VanDerWaalsContact NE-OD2 3.11Å; R112-D115 IonicContact NH2-OD2 3.36Å; R112-D115 PolarHBondContact NH2-OD2 2.79Å; R112-D115 VanDerWaalsContact NH2-OD2 3.17Å; R112-D115 WeakPolarHBondContact O-CB 3.28Å; R112-D115 PolarHBondContact O-N 2.96Å; R112-E116 WeakPolarHBondContact O-CG 3.2Å; R112-E116 PolarHBondContact O-N 3.36Å; R112-E116 VanDerWaalsContact O-N 3.07Å
113M93Very high95.8Very high16 Ų1674.4 Ų74.48%0.07934%0.341CS..Hα-helixtrans-66.4-40.2176.4-175.3178.675.800111.7L109 A110 E111 D115 E116 I117 I140 F149 G150 E151L109-M113 PolarHBondContact O-N 3.21Å; L109-M113 VanDerWaalsContact O-N 3.1Å; A110-M113 PolarHBondContact O-N 3.13Å; E111-M113 PolarHBondContact O-N 3.3Å; M113-D115 VanDerWaalsContact C-N 3.33Å; M113-D115 PolarHBondContact O-N 3.42Å; M113-E116 PolarHBondContact O-N 3.33Å; M113-I117 HydrophobicContact CG-CD1 4.46Å; M113-I117 PolarHBondContact O-N 3.16Å; M113-I117 VanDerWaalsContact O-N 3.12Å; M113-I140 HydrophobicContact SD-CD1 3.73Å; M113-F149 HydrophobicContact CE-CD2 3.6Å; M113-F149 HydrophobicContact CE-CE2 3.46Å; M113-F149 VanDerWaalsContact CE-CE2 3.46Å; M113-F149 HydrophobicContact SD-CD2 4.38Å; M113-F149 HydrophobicContact SD-CE2 3.64Å; M113-G150 WeakPolarHBondContact CE-O 3.3Å; M113-E151 HydrophobicContact CE-CB 3.55Å; M113-E151 HydrophobicContact CE-CG 3.77Å; M113-E151 HydrophobicContact SD-CB 3.76Å; M113-E151 VanDerWaalsContact SD-CD 3.57Å; M113-E151 HydrophobicContact SD-CG 3.46Å; M113-E151 WeakPolarHBondContact SD-CG 3.26Å
114Q96Very high96Very high46 Ų4670.7 Ų70.722%0.21532%0.323CS..Hα-helixtrans-61.8-42.5174-68.2172.119.100111.4A110 E111 E116 I117 L118 I270A110-Q114 VanDerWaalsContact O-CG 3.28Å; A110-Q114 WeakPolarHBondContact O-CG 3.37Å; A110-Q114 PolarHBondContact O-N 3.39Å; E111-Q114 PolarHBondContact O-N 3.33Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.11Å; Q114-I117 PolarHBondContact O-N 3.26Å; Q114-L118 WeakPolarHBondContact O-CB 3.3Å; Q114-L118 VanDerWaalsContact O-CG 3.23Å; Q114-L118 WeakPolarHBondContact O-CG 3.46Å; Q114-L118 PolarHBondContact O-N 3.22Å; Q114-I270 HydrophobicContact CB-CD1 3.85Å; Q114-I270 HydrophobicContact CG-CD1 3.74Å
115D96.8Very high96Very high53 Ų5363.2 Ų63.228%0.28330%0.296SS..Hα-helixtrans-56.2-43.7174.2-74-27.4000110.9E111 R112 M113 I117 L118 Q119E111-D115 WeakPolarHBondContact O-CB 3.29Å; E111-D115 VanDerWaalsContact O-CG 3.28Å; E111-D115 PolarHBondContact O-N 2.95Å; R112-D115 IonicContact CZ-OD2 3.32Å; R112-D115 IonicContact NE-OD2 3.5Å; R112-D115 PolarHBondContact NE-OD2 3.41Å; R112-D115 VanDerWaalsContact NE-OD2 3.11Å; R112-D115 IonicContact NH2-OD2 3.36Å; R112-D115 PolarHBondContact NH2-OD2 2.79Å; R112-D115 VanDerWaalsContact NH2-OD2 3.17Å; R112-D115 WeakPolarHBondContact O-CB 3.28Å; R112-D115 PolarHBondContact O-N 2.96Å; M113-D115 VanDerWaalsContact C-N 3.33Å; M113-D115 PolarHBondContact O-N 3.42Å; D115-I117 PolarHBondContact O-N 3.44Å; D115-L118 PolarHBondContact O-N 2.85Å; D115-Q119 WeakPolarHBondContact O-CB 3.36Å; D115-Q119 WeakPolarHBondContact O-CG 3.49Å; D115-Q119 PolarHBondContact O-N 3.25Å
116E96.7Very high96.1Very high81 Ų8157.7 Ų57.738%0.37928%0.276SS..Hα-helixtrans-63.8-39.1178.4-71.7-179.8-178.500112.5R112 M113 Q114 E120 Q121 I122R112-E116 WeakPolarHBondContact O-CG 3.2Å; R112-E116 PolarHBondContact O-N 3.36Å; R112-E116 VanDerWaalsContact O-N 3.07Å; M113-E116 PolarHBondContact O-N 3.33Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.11Å; E116-E120 PolarHBondContact O-N 3.11Å; E116-Q121 HydrophobicContact CB-CB 4.23Å; E116-Q121 WeakPolarHBondContact O-CA 3.49Å; E116-Q121 WeakPolarHBondContact O-CB 3.19Å; E116-Q121 PolarHBondContact O-N 2.77Å; E116-I122 HydrophobicContact CB-CD1 3.94Å; E116-I122 HydrophobicContact CB-CG1 4.15Å; E116-I122 PolarHBondContact O-N 3.33Å; E116-I122 VanDerWaalsContact O-N 3.11Å; E116-I122 WeakPolarHBondContact OE2-CD1 3.37Å
117I97.2Very high96.2Very high0 Ų063.2 Ų63.20%030%0.302CS..Hα-helixtrans-69.8-42.4175.5-65.4164.6000111.5M113 Q114 D115 Q119 E120 I122 I124 P152 I270 R274M113-I117 HydrophobicContact CG-CD1 4.46Å; M113-I117 PolarHBondContact O-N 3.16Å; M113-I117 VanDerWaalsContact O-N 3.12Å; Q114-I117 PolarHBondContact O-N 3.26Å; D115-I117 PolarHBondContact O-N 3.44Å; I117-Q119 VanDerWaalsContact C-N 3.31Å; I117-Q119 PolarHBondContact O-N 2.91Å; I117-E120 PolarHBondContact O-N 3.47Å; I117-I122 WeakPolarHBondContact CA-O 3.4Å; I117-I122 HydrophobicContact CG1-CB 3.81Å; I117-I122 HydrophobicContact CG1-CD1 4.48Å; I117-I122 HydrophobicContact CG1-CG2 3.96Å; I117-I124 HydrophobicContact CD1-CG1 4.16Å; I117-I124 HydrophobicContact CG1-CG1 4.1Å; I117-I124 HydrophobicContact CG2-CB 3.84Å; I117-I124 HydrophobicContact CG2-CG1 3.98Å; I117-P152 HydrophobicContact CD1-CG 3.9Å; I117-I270 HydrophobicContact CB-CD1 3.93Å; I117-I270 HydrophobicContact CD1-CD1 3.88Å; I117-I270 HydrophobicContact CD1-CG1 4.13Å; I117-I270 HydrophobicContact CG2-CD1 3.92Å; I117-I270 HydrophobicContact CG2-CG1 4.21Å; I117-I270 HydrophobicContact CG2-CG2 3.75Å; I117-R274 PolarHBondContact O-NH2 3.06Å
118L96.6Very high96.3Very high59 Ų5964.9 Ų64.931%0.30932%0.319SS..Hα-helixtrans-70.9-28.8-179.3-68.6172000112.4Q114 D115 Q273 R274Q114-L118 WeakPolarHBondContact O-CB 3.3Å; Q114-L118 VanDerWaalsContact O-CG 3.23Å; Q114-L118 WeakPolarHBondContact O-CG 3.46Å; Q114-L118 PolarHBondContact O-N 3.22Å; D115-L118 PolarHBondContact O-N 2.85Å; L118-Q273 HydrophobicContact CD1-CB 3.84Å; L118-Q273 HydrophobicContact CD1-CG 4.02Å; L118-Q273 HydrophobicContact CD2-CB 3.78Å; L118-Q273 HydrophobicContact CG-CB 4.46Å; L118-R274 HydrophobicContact CD2-CG 3.87Å
119Q97.1Very high96.4Very high122 Ų12263.7 Ų63.757%0.5732%0.315SS*.THydrogen-bonded Turntrans-86.38.7173.6-67174.31100113.2D115 I117 Q121D115-Q119 WeakPolarHBondContact O-CB 3.36Å; D115-Q119 WeakPolarHBondContact O-CG 3.49Å; D115-Q119 PolarHBondContact O-N 3.25Å; I117-Q119 VanDerWaalsContact C-N 3.31Å; I117-Q119 PolarHBondContact O-N 2.91Å; Q119-Q121 HydrophobicContact CB-CG 4.22Å; Q119-Q121 PolarHBondContact O-N 3.23Å; Q119-Q121 VanDerWaalsContact O-N 3.13Å; Q119-Q121 VanDerWaalsContact OE1-NE2 3.16Å
120E95.2Very high96.6Very high161 Ų16166.7 Ų66.775%0.75232%0.322SS*.THydrogen-bonded Turntrans59.221.8-179.9-52.7178.6162.500113.7E116 I117E116-E120 PolarHBondContact O-N 3.11Å; I117-E120 PolarHBondContact O-N 3.47Å
121Q96.2Very high96.8Very high108 Ų10869.8 Ų69.851%0.50534%0.336SS..SBendtrans-74.9-34.3169.9-58.6-172.215.200110.5E116 Q119 Q211E116-Q121 HydrophobicContact CB-CB 4.23Å; E116-Q121 WeakPolarHBondContact O-CA 3.49Å; E116-Q121 WeakPolarHBondContact O-CB 3.19Å; E116-Q121 PolarHBondContact O-N 2.77Å; Q119-Q121 HydrophobicContact CB-CG 4.22Å; Q119-Q121 PolarHBondContact O-N 3.23Å; Q119-Q121 VanDerWaalsContact O-N 3.13Å; Q119-Q121 VanDerWaalsContact OE1-NE2 3.16Å; Q121-Q211 PolarHBondContact O-NE2 3.07Å
122I95.8Very high97Very high31 Ų3165.9 Ų65.916%0.15932%0.318CS..SBendtrans-113.2120.7167.9-59.7173.4000108.1E116 I117 I124E116-I122 HydrophobicContact CB-CD1 3.94Å; E116-I122 HydrophobicContact CB-CG1 4.15Å; E116-I122 PolarHBondContact O-N 3.33Å; E116-I122 VanDerWaalsContact O-N 3.11Å; E116-I122 WeakPolarHBondContact OE2-CD1 3.37Å; I117-I122 WeakPolarHBondContact CA-O 3.4Å; I117-I122 HydrophobicContact CG1-CB 3.81Å; I117-I122 HydrophobicContact CG1-CD1 4.48Å; I117-I122 HydrophobicContact CG1-CG2 3.96Å; I122-I124 HydrophobicContact CG2-CD1 4.36Å; I122-I124 HydrophobicContact CG2-CG1 4.17Å; I122-I124 PolarHBondContact O-N 3.29Å
123L97Very high97.1Very high65 Ų6561.2 Ų61.234%0.3430%0.301SS..  trans-85.899.3-175.6-178.454.1000110.7E125 R154L123-E125 HydrophobicContact CD1-CG 4.17Å; L123-R154 WeakPolarHBondContact O-CD 3.32Å
124I98Very high97.4Very high2 Ų260.4 Ų60.41%0.0130%0.297CS..  trans-117.3117.2166.5-54.9-60.5000106.8I117 I122 P152 R154 R274I117-I124 HydrophobicContact CD1-CG1 4.16Å; I117-I124 HydrophobicContact CG1-CG1 4.1Å; I117-I124 HydrophobicContact CG2-CB 3.84Å; I117-I124 HydrophobicContact CG2-CG1 3.98Å; I122-I124 HydrophobicContact CG2-CD1 4.36Å; I122-I124 HydrophobicContact CG2-CG1 4.17Å; I122-I124 PolarHBondContact O-N 3.29Å; I124-P152 HydrophobicContact CD1-CB 4.46Å; I124-P152 VanDerWaalsContact CD1-O 3.25Å; I124-P152 WeakPolarHBondContact CD1-O 3.21Å; I124-P152 HydrophobicContact CG1-CB 4.47Å; I124-P152 HydrophobicContact CG1-CG 4.25Å; I124-P152 HydrophobicContact CG2-CB 4.07Å; I124-P152 HydrophobicContact CG2-CG 4.24Å; I124-R154 HydrophobicContact CD1-CB 4Å; I124-R274 VanDerWaalsContact O-CZ 3.27Å; I124-R274 PolarHBondContact O-NH1 3.49Å; I124-R274 PolarHBondContact O-NH2 3.48Å
125E97.8Very high97.5Very high33 Ų3358.2 Ų58.215%0.15429%0.287CS..  trans-86135.2174.1-71.6174.4146.100108.6L123 R130 Q133 N135 Q240L123-E125 HydrophobicContact CD1-CG 4.17Å; E125-R130 IonicContact OE1-CZ 3.99Å; E125-R130 IonicContact OE1-NE 2.78Å; E125-R130 PolarHBondContact OE1-NE 3.11Å; E125-R130 VanDerWaalsContact OE1-NE 3.16Å; E125-R130 IonicContact OE1-NH2 3.5Å; E125-R130 PolarHBondContact OE1-NH2 3.2Å; E125-R130 WeakPolarHBondContact OE2-CG 3.5Å; E125-R130 IonicContact OE2-NE 3.36Å; E125-R130 PolarHBondContact OE2-NE 3.16Å; E125-Q133 PolarHBondContact OE2-NE2 3.23Å; E125-N135 PolarHBondContact O-ND2 3.29Å; E125-Q240 HydrophobicContact CB-CB 3.76Å; E125-Q240 HydrophobicContact CB-CG 4.01Å
126T97.9Very high97.6Very high7 Ų755.7 Ų55.74%0.04327%0.274CS..SBendtrans-117.212.3178.1520000112.3Q240 S241 F267 I270 R274 Q280T126-Q240 CarbonylContact C-O 3.43Å; T126-Q240 WeakPolarHBondContact CA-O 3.42Å; T126-S241 WeakPolarHBondContact O-CA 3.35Å; T126-F267 HydrophobicContact CG2-CE2 3.98Å; T126-F267 HydrophobicContact CG2-CZ 4.34Å; T126-I270 HydrophobicContact CG2-CG2 3.94Å; T126-R274 WeakPolarHBondContact OG1-CD 3.21Å; T126-R274 PolarHBondContact OG1-NH1 2.88Å; T126-Q280 PolarHBondContact O-NE2 3.09Å
127E97.4Very high97.7Very high138 Ų13851.9 Ų51.965%0.64526%0.256SS*.SBendtrans-160164.1179.461.2171.4-163.300110.2Q240E127-Q240 WeakPolarHBondContact O-CB 3.29Å
128G97.9Very high97.5Very high44 Ų4453.2 Ų53.245%0.45427%0.265SS..SBendtrans79.9-169.2-17800000112.7Q240G128-Q240 PolarHBondContact O-N 3.22Å
129E98.5Very high97.4Very high93 Ų9352.5 Ų52.544%0.43526%0.263SS..EExtended strand (participates in β ladder)trans-141.3145.9-175.1-44.6178.5140.400111.2P237 V238E129-P237 HydrophobicContact CB-CB 3.76Å; E129-P237 HydrophobicContact CB-CG 4.24Å; E129-V238 CarbonylContact C-O 3.37Å; E129-V238 WeakPolarHBondContact CA-O 3.47Å
130R98.6Very high97.2Very high121 Ų12148.4 Ų48.446%0.45725%0.245SC..EExtended strand (participates in β ladder)trans-145.9137-178.8-67.7-64.9179.9-118.9-0.6111.8E125 Q133 V238 Q240E125-R130 IonicContact OE1-CZ 3.99Å; E125-R130 IonicContact OE1-NE 2.78Å; E125-R130 PolarHBondContact OE1-NE 3.11Å; E125-R130 VanDerWaalsContact OE1-NE 3.16Å; E125-R130 IonicContact OE1-NH2 3.5Å; E125-R130 PolarHBondContact OE1-NH2 3.2Å; E125-R130 WeakPolarHBondContact OE2-CG 3.5Å; E125-R130 IonicContact OE2-NE 3.36Å; E125-R130 PolarHBondContact OE2-NE 3.16Å; R130-Q133 HydrophobicContact CB-CB 3.75Å; R130-V238 PolarHBondContact N-O 2.87Å; R130-V238 PolarHBondContact O-N 2.98Å; R130-Q240 HydrophobicContact CB-CG 4.3Å; R130-Q240 HydrophobicContact CG-CG 4.02Å
131I98.7Very high97Very high83 Ų8348.1 Ų48.143%0.42624%0.243SC..EExtended strand (participates in β ladder)trans-75.3133.5174.2-63.5163.4000109Q133 P237I131-Q133 PolarHBondContact O-N 3Å; I131-P237 HydrophobicContact CG1-CB 3.98Å
132G98.5Very high96.7Very high1 Ų147.5 Ų47.51%0.0124%0.239CC..THydrogen-bonded Turntrans69.88.4174.500000114.9S156 C157 A228 S231G132-S156 CarbonylContact O-C 3.46Å; G132-S156 VanDerWaalsContact O-CA 3.3Å; G132-S156 WeakPolarHBondContact O-CA 3.38Å; G132-C157 WeakPolarHBondContact CA-O 3.33Å; G132-C157 PolarHBondContact O-N 3.07Å; G132-A228 WeakPolarHBondContact CA-O 3.37Å; G132-S231 PolarHBondContact N-OG 2.93Å
133Q98.8Very high96.5Very high21 Ų2152.4 Ų52.410%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-121135.3-177.4-172.1-170.8-80.900110.5E125 R130 I131 R154 I155 V238 Q240E125-Q133 PolarHBondContact OE2-NE2 3.23Å; R130-Q133 HydrophobicContact CB-CB 3.75Å; I131-Q133 PolarHBondContact O-N 3Å; Q133-R154 HydrophobicContact CG-CG 3.71Å; Q133-I155 CarbonylContact C-O 3.58Å; Q133-I155 WeakPolarHBondContact CA-O 3.33Å; Q133-V238 VanDerWaalsContact O-CB 3.24Å; Q133-V238 WeakPolarHBondContact O-CB 3.46Å; Q133-Q240 PolarHBondContact O-NE2 3Å
134I98.8Very high96.3Very high0 Ų053.5 Ų53.50%030%0.3CS..EExtended strand (participates in β ladder)trans-145.5151.1-178.7-165.5162.2000111.9I155 A224 C227 A228 V238 I244 L322I134-I155 HydrophobicContact CG2-CB 3.93Å; I134-I155 HydrophobicContact CG2-CG2 4.49Å; I134-I155 PolarHBondContact N-O 2.97Å; I134-I155 PolarHBondContact O-N 2.99Å; I134-A224 HydrophobicContact CD1-CB 4.45Å; I134-A224 HydrophobicContact CG2-CB 4.02Å; I134-A224 WeakPolarHBondContact CG2-O 3.47Å; I134-C227 HydrophobicContact CD1-CB 3.66Å; I134-A228 HydrophobicContact CB-CB 4.4Å; I134-A228 HydrophobicContact CG2-CB 3.79Å; I134-V238 HydrophobicContact CB-CG1 4.32Å; I134-V238 HydrophobicContact CD1-CG1 4.26Å; I134-V238 HydrophobicContact CG1-CG1 4.05Å; I134-I244 HydrophobicContact CD1-CG2 3.53Å; I134-I244 HydrophobicContact CG1-CG2 3.97Å; I134-L322 HydrophobicContact CD1-CD1 3.76Å; I134-L322 HydrophobicContact CD1-CD2 4.08Å
135N98.7Very high96.1Very high0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-86.4112.2170.6-63.4-43.4000109.8E125 Q240 A243 I244 F267E125-N135 PolarHBondContact O-ND2 3.29Å; N135-Q240 PolarHBondContact ND2-O 2.96Å; N135-A243 HydrophobicContact CB-CB 3.69Å; N135-A243 CarbonylContact O-C 3.59Å; N135-A243 VanDerWaalsContact O-CA 3.26Å; N135-A243 WeakPolarHBondContact O-CA 3.25Å; N135-I244 PolarHBondContact O-N 3.47Å; N135-F267 HydrophobicContact CB-CE2 4.33Å
136A98.3Very high95.8Very high0 Ų057.9 Ų57.90%033%0.327CS..EExtended strand (participates in β ladder)trans-94.5166.5167.500000110.5P152 S153 I155 A221 A224 I244A136-P152 CarbonylContact O-C 3.56Å; A136-P152 WeakPolarHBondContact O-CA 3.3Å; A136-S153 PolarHBondContact N-O 3.5Å; A136-S153 PolarHBondContact O-N 2.94Å; A136-I155 HydrophobicContact CB-CD1 3.48Å; A136-I155 VanDerWaalsContact CB-CD1 3.48Å; A136-I155 HydrophobicContact CB-CG1 3.92Å; A136-A221 HydrophobicContact CB-CB 4.06Å; A136-A224 HydrophobicContact CB-CB 3.8Å; A136-I244 WeakPolarHBondContact CA-O 3.48Å
137L98Very high95.5Very high0 Ų060.5 Ų60.50%034%0.336CS..EExtended strand (participates in β ladder)trans-125.5128.1179.3-52.5172.6000111.7P152 A243 I244 T245 K263 F267 V282L137-P152 HydrophobicContact CD2-CB 4.2Å; L137-A243 HydrophobicContact CD1-CB 4.23Å; L137-A243 HydrophobicContact CD2-CB 3.7Å; L137-A243 HydrophobicContact CG-CB 3.99Å; L137-I244 PolarHBondContact N-O 3.05Å; L137-T245 HydrophobicContact CD1-CG2 4.38Å; L137-K263 HydrophobicContact CB-CB 3.75Å; L137-K263 HydrophobicContact CB-CD 4.12Å; L137-K263 HydrophobicContact CB-CG 3.86Å; L137-K263 HydrophobicContact CD1-CB 4.08Å; L137-K263 WeakPolarHBondContact O-CE 3.38Å; L137-K263 PolarHBondContact O-NZ 3.19Å; L137-F267 HydrophobicContact CD2-CB 3.64Å; L137-F267 HydrophobicContact CD2-CG 4.23Å; L137-V282 HydrophobicContact CD1-CB 4.47Å; L137-V282 HydrophobicContact CD1-CG1 3.45Å; L137-V282 VanDerWaalsContact CD1-CG1 3.45Å; L137-V282 HydrophobicContact CD1-CG2 4.1Å
138S94.5Very high95.3Very high29 Ų2955.2 Ų55.220%0.20332%0.316CS..EExtended strand (participates in β ladder)trans-120.1167179.9-58.60000110.4G150 E151 S153S138-G150 WeakPolarHBondContact O-CA 3.42Å; S138-E151 PolarHBondContact N-O 3.42Å; S138-E151 PolarHBondContact O-N 3.46Å; S138-S153 PolarHBondContact OG-OG 3.06Å
139V94.5Very high95.2Very high43 Ų4354 Ų5426%0.26130%0.298SS..EExtended strand (participates in β ladder)trans-123.6131.1172177.20000108.4E141 A148 F149 G259 E262 K263V139-E141 HydrophobicContact CG1-CG 4.38Å; V139-A148 HydrophobicContact CG1-CB 3.62Å; V139-F149 WeakPolarHBondContact CA-O 3.4Å; V139-G259 WeakPolarHBondContact CG2-O 3.28Å; V139-E262 HydrophobicContact CG2-CB 4.16Å; V139-K263 HydrophobicContact CG2-CD 4.24Å; V139-K263 HydrophobicContact CG2-CG 3.56Å
140I91.9Very high95Very high37 Ų3749.9 Ų49.919%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-101.1128.8173.8-63.2168.7000109.3M113 F142 A148 F149 E151M113-I140 HydrophobicContact SD-CD1 3.73Å; I140-F142 HydrophobicContact CG2-CD2 3.84Å; I140-F142 HydrophobicContact CG2-CE1 4.34Å; I140-F142 HydrophobicContact CG2-CE2 3.45Å; I140-F142 VanDerWaalsContact CG2-CE2 3.45Å; I140-F142 HydrophobicContact CG2-CG 4.46Å; I140-F142 HydrophobicContact CG2-CZ 3.72Å; I140-A148 VanDerWaalsContact O-CA 3.31Å; I140-A148 WeakPolarHBondContact O-CA 3.28Å; I140-F149 HydrophobicContact CB-CD2 4.39Å; I140-F149 HydrophobicContact CB-CE1 4.26Å; I140-F149 HydrophobicContact CB-CE2 3.88Å; I140-F149 HydrophobicContact CB-CZ 3.82Å; I140-F149 HydrophobicContact CD1-CE2 3.63Å; I140-F149 HydrophobicContact CD1-CZ 3.96Å; I140-F149 HydrophobicContact CG1-CE2 4.26Å; I140-F149 HydrophobicContact CG2-CE1 4.19Å; I140-F149 HydrophobicContact CG2-CE2 4.41Å; I140-F149 HydrophobicContact CG2-CZ 3.86Å; I140-F149 PolarHBondContact N-O 3.15Å; I140-F149 PolarHBondContact O-N 3.3Å; I140-F149 VanDerWaalsContact O-N 3.14Å; I140-E151 HydrophobicContact CD1-CB 3.98Å; I140-E151 HydrophobicContact CD1-CG 4.29Å; I140-E151 WeakPolarHBondContact CD1-OE2 3.23Å; I140-E151 HydrophobicContact CG1-CB 4.33Å
141E91.3Very high94.8Very high154 Ų15446.4 Ų46.472%0.7227%0.269SS*.  trans-121.5118.4170.5-71.8-176.8-155.500109.7V139 A148V139-E141 HydrophobicContact CG1-CG 4.38Å; E141-A148 HydrophobicContact CG-CB 3.54Å
142F90.4Very high94.7Very high95 Ų9542.5 Ų42.542%0.41725%0.25SC..  trans-94.1128.9172.9-71.1-73.6000110.5L109 I140 G144 H145 F149L109-F142 HydrophobicContact CB-CE2 4.48Å; L109-F142 HydrophobicContact CD1-CD2 3.54Å; L109-F142 HydrophobicContact CD1-CE2 3.79Å; L109-F142 HydrophobicContact CD1-CG 4.22Å; I140-F142 HydrophobicContact CG2-CD2 3.84Å; I140-F142 HydrophobicContact CG2-CE1 4.34Å; I140-F142 HydrophobicContact CG2-CE2 3.45Å; I140-F142 VanDerWaalsContact CG2-CE2 3.45Å; I140-F142 HydrophobicContact CG2-CG 4.46Å; I140-F142 HydrophobicContact CG2-CZ 3.72Å; F142-G144 PolarHBondContact O-N 3.42Å; F142-G144 VanDerWaalsContact O-N 3.16Å; F142-H145 HydrophobicContact CB-CB 3.73Å; F142-H145 VanDerWaalsContact O-CB 3.3Å; F142-H145 WeakPolarHBondContact O-CB 3.4Å; F142-H145 PolarHBondContact O-N 3.02Å; F142-F149 AromaticContact CD2-CE1 3.96Å; F142-F149 HydrophobicContact CD2-CE1 3.96Å; F142-F149 HydrophobicContact CD2-CZ 4.39Å; F142-F149 AromaticContact CE2-CE1 3.7Å; F142-F149 HydrophobicContact CE2-CE1 3.7Å; F142-F149 AromaticContact CE2-CZ 3.68Å; F142-F149 HydrophobicContact CE2-CZ 3.68Å
143P91.4Very high94.6Very high134 Ų13443.3 Ų43.387%0.8726%0.255SS*.THydrogen-bonded Turntrans-53.4123.2173.9-28.135.5000112H145P143-H145 VanDerWaalsContact C-N 3.29Å; P143-H145 PolarHBondContact O-N 3.45Å
144G92.6Very high94.5Very high88 Ų8843.9 Ų43.991%0.90726%0.256SS*.THydrogen-bonded Turntrans83.9-5.8-178.300000115.2F142F142-G144 PolarHBondContact O-N 3.42Å; F142-G144 VanDerWaalsContact O-N 3.16Å
145H93.6Very high94.5Very high51 Ų5143.9 Ų43.924%0.23626%0.256CS..  trans-82.3136.2168.5-163.9-95.7000109.8E106 F142 P143 R147E106-H145 PolarHBondContact O-CE1 3.22Å; E106-H145 PolarHBondContact O-NE2 3.5Å; F142-H145 HydrophobicContact CB-CB 3.73Å; F142-H145 VanDerWaalsContact O-CB 3.3Å; F142-H145 WeakPolarHBondContact O-CB 3.4Å; F142-H145 PolarHBondContact O-N 3.02Å; P143-H145 VanDerWaalsContact C-N 3.29Å; P143-H145 PolarHBondContact O-N 3.45Å; H145-R147 PolarHBondContact ND1-N 3.04Å; H145-R147 PolarHBondContact ND1-O 2.96Å; H145-R147 PolarHBondContact O-N 3.48Å
146P92.5Very high94.5Very high77 Ų7744.7 Ų44.750%0.526%0.262SS..SBendtrans-78.7-4.8-172.832.2-37.6000114.4E106E106-P146 HydrophobicContact CB-CG 4.33Å; E106-P146 HydrophobicContact CG-CG 3.66Å
147R91.3Very high94.5Very high62 Ų6244.9 Ų44.923%0.23426%0.263CS..  trans-140.5131.5-169.6177.3173.2-63.2-1011.2111.1E106 H145E106-R147 HydrophobicContact CB-CB 4.44Å; E106-R147 IonicContact OE2-CZ 3.39Å; E106-R147 IonicContact OE2-NE 3.26Å; E106-R147 PolarHBondContact OE2-NE 3.34Å; E106-R147 IonicContact OE2-NH2 3.84Å; E106-R147 PolarHBondContact OE2-NH2 2.96Å; H145-R147 PolarHBondContact ND1-N 3.04Å; H145-R147 PolarHBondContact ND1-O 2.96Å; H145-R147 PolarHBondContact O-N 3.48Å
148A93.2Very high94.5Very high26 Ų2649.2 Ų49.222%0.21529%0.289CS..  trans-82.1152.516400000109.8V139 I140 E141 E262V139-A148 HydrophobicContact CG1-CB 3.62Å; I140-A148 VanDerWaalsContact O-CA 3.31Å; I140-A148 WeakPolarHBondContact O-CA 3.28Å; E141-A148 HydrophobicContact CG-CB 3.54Å; A148-E262 HydrophobicContact CB-CG 4.42Å
149F94.1Very high94.6Very high20 Ų2049.6 Ų49.69%0.08829%0.291CS..EExtended strand (participates in β ladder)trans-139.2150.5173.659.5-93.3000111L109 A110 M113 V139 I140 F142L109-F149 HydrophobicContact CB-CE1 4.02Å; L109-F149 HydrophobicContact CB-CZ 4.37Å; A110-F149 HydrophobicContact CB-CB 3.97Å; A110-F149 HydrophobicContact CB-CD1 4.2Å; A110-F149 HydrophobicContact CB-CD2 4.13Å; A110-F149 HydrophobicContact CB-CG 3.84Å; M113-F149 HydrophobicContact CE-CD2 3.6Å; M113-F149 HydrophobicContact CE-CE2 3.46Å; M113-F149 VanDerWaalsContact CE-CE2 3.46Å; M113-F149 HydrophobicContact SD-CD2 4.38Å; M113-F149 HydrophobicContact SD-CE2 3.64Å; V139-F149 WeakPolarHBondContact CA-O 3.4Å; I140-F149 HydrophobicContact CB-CD2 4.39Å; I140-F149 HydrophobicContact CB-CE1 4.26Å; I140-F149 HydrophobicContact CB-CE2 3.88Å; I140-F149 HydrophobicContact CB-CZ 3.82Å; I140-F149 HydrophobicContact CD1-CE2 3.63Å; I140-F149 HydrophobicContact CD1-CZ 3.96Å; I140-F149 HydrophobicContact CG1-CE2 4.26Å; I140-F149 HydrophobicContact CG2-CE1 4.19Å; I140-F149 HydrophobicContact CG2-CE2 4.41Å; I140-F149 HydrophobicContact CG2-CZ 3.86Å; I140-F149 PolarHBondContact N-O 3.15Å; I140-F149 PolarHBondContact O-N 3.3Å; I140-F149 VanDerWaalsContact O-N 3.14Å; F142-F149 AromaticContact CD2-CE1 3.96Å; F142-F149 HydrophobicContact CD2-CE1 3.96Å; F142-F149 HydrophobicContact CD2-CZ 4.39Å; F142-F149 AromaticContact CE2-CE1 3.7Å; F142-F149 HydrophobicContact CE2-CE1 3.7Å; F142-F149 AromaticContact CE2-CZ 3.68Å; F142-F149 HydrophobicContact CE2-CZ 3.68Å
150G95.4Very high94.4Very high6 Ų653.2 Ų53.26%0.06230%0.304CS..EExtended strand (participates in β ladder)trans-80.1142.9179.200000111.9M113 S138 E262M113-G150 WeakPolarHBondContact CE-O 3.3Å; S138-G150 WeakPolarHBondContact O-CA 3.42Å; G150-E262 WeakPolarHBondContact CA-O 3.32Å; G150-E262 PolarHBondContact N-O 3.01Å
151E93.9Very high94.2Very high47 Ų4755.2 Ų55.222%0.2231%0.314CS..EExtended strand (participates in β ladder)trans-125.3120.9176.3178.8178.9-147.300109.2M113 S138 I140 S153M113-E151 HydrophobicContact CE-CB 3.55Å; M113-E151 HydrophobicContact CE-CG 3.77Å; M113-E151 HydrophobicContact SD-CB 3.76Å; M113-E151 VanDerWaalsContact SD-CD 3.57Å; M113-E151 HydrophobicContact SD-CG 3.46Å; M113-E151 WeakPolarHBondContact SD-CG 3.26Å; S138-E151 PolarHBondContact N-O 3.42Å; S138-E151 PolarHBondContact O-N 3.46Å; I140-E151 HydrophobicContact CD1-CB 3.98Å; I140-E151 HydrophobicContact CD1-CG 4.29Å; I140-E151 WeakPolarHBondContact CD1-OE2 3.23Å; I140-E151 HydrophobicContact CG1-CB 4.33Å; E151-S153 PolarHBondContact O-N 3.33Å
152P96.8Very high93.9Very high2 Ų249.1 Ų49.11%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-71.3128.2164.230-30.7000109.5I117 I124 A136 L137 F267 I270I117-P152 HydrophobicContact CD1-CG 3.9Å; I124-P152 HydrophobicContact CD1-CB 4.46Å; I124-P152 VanDerWaalsContact CD1-O 3.25Å; I124-P152 WeakPolarHBondContact CD1-O 3.21Å; I124-P152 HydrophobicContact CG1-CB 4.47Å; I124-P152 HydrophobicContact CG1-CG 4.25Å; I124-P152 HydrophobicContact CG2-CB 4.07Å; I124-P152 HydrophobicContact CG2-CG 4.24Å; A136-P152 CarbonylContact O-C 3.56Å; A136-P152 WeakPolarHBondContact O-CA 3.3Å; L137-P152 HydrophobicContact CD2-CB 4.2Å; P152-F267 HydrophobicContact CB-CD2 3.93Å; P152-I270 HydrophobicContact CG-CG1 4.21Å
153S96.2Very high93.5Very high18 Ų1850 Ų5013%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-114.2141.8177.1-48.90000109.4A136 S138 E151A136-S153 PolarHBondContact N-O 3.5Å; A136-S153 PolarHBondContact O-N 2.94Å; S138-S153 PolarHBondContact OG-OG 3.06Å; E151-S153 PolarHBondContact O-N 3.33Å
154R98Very high93.2Very high33 Ų3344.3 Ų44.313%0.12527%0.268CS..EExtended strand (participates in β ladder)trans-92.7119.4175.7-178.2179.172.6150.63.9109.7L123 I124 Q133 E210L123-R154 WeakPolarHBondContact O-CD 3.32Å; I124-R154 HydrophobicContact CD1-CB 4Å; Q133-R154 HydrophobicContact CG-CG 3.71Å; R154-E210 HydrophobicContact CB-CB 4.11Å; R154-E210 HydrophobicContact CG-CB 4.2Å; R154-E210 HydrophobicContact CG-CG 4.25Å; R154-E210 IonicContact CZ-OE2 2.63Å; R154-E210 IonicContact NH2-OE2 2.65Å; R154-E210 PolarHBondContact NH2-OE2 3.15Å; R154-E210 WeakPolarHBondContact O-CB 3.3Å; R154-E210 PolarHBondContact O-N 3.05Å
155I98.4Very high93.1Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-101.8133.8171.4-61.5180000108.2Q133 I134 A136 L207 T208 F209 A221 A224 E225Q133-I155 CarbonylContact C-O 3.58Å; Q133-I155 WeakPolarHBondContact CA-O 3.33Å; I134-I155 HydrophobicContact CG2-CB 3.93Å; I134-I155 HydrophobicContact CG2-CG2 4.49Å; I134-I155 PolarHBondContact N-O 2.97Å; I134-I155 PolarHBondContact O-N 2.99Å; A136-I155 HydrophobicContact CB-CD1 3.48Å; A136-I155 VanDerWaalsContact CB-CD1 3.48Å; A136-I155 HydrophobicContact CB-CG1 3.92Å; I155-L207 HydrophobicContact CG2-CD1 4.43Å; I155-L207 HydrophobicContact CG2-CD2 3.81Å; I155-L207 HydrophobicContact CG2-CG 4.07Å; I155-T208 WeakPolarHBondContact CA-O 3.09Å; I155-F209 HydrophobicContact CD1-CD1 4.14Å; I155-F209 HydrophobicContact CD1-CE1 3.45Å; I155-F209 VanDerWaalsContact CD1-CE1 3.45Å; I155-F209 HydrophobicContact CD1-CE2 4.09Å; I155-F209 HydrophobicContact CD1-CZ 3.42Å; I155-F209 VanDerWaalsContact CD1-CZ 3.42Å; I155-F209 HydrophobicContact CG1-CD1 3.79Å; I155-F209 HydrophobicContact CG1-CE1 3.64Å; I155-F209 HydrophobicContact CG1-CE2 4.37Å; I155-F209 HydrophobicContact CG1-CG 4.24Å; I155-F209 HydrophobicContact CG1-CZ 3.95Å; I155-A221 HydrophobicContact CD1-CB 4.01Å; I155-A224 HydrophobicContact CD1-CB 4.19Å; I155-E225 HydrophobicContact CD1-CG 3.72Å; I155-E225 HydrophobicContact CG2-CG 4.22Å
156S98.6Very high93Very high16 Ų1644 Ų4411%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-121.5144173.378.20000110.9G132 L207 T208 E210G132-S156 CarbonylContact O-C 3.46Å; G132-S156 VanDerWaalsContact O-CA 3.3Å; G132-S156 WeakPolarHBondContact O-CA 3.38Å; S156-L207 VanDerWaalsContact O-CA 3.32Å; S156-L207 WeakPolarHBondContact O-CA 3.43Å; S156-T208 PolarHBondContact N-O 3.19Å; S156-T208 PolarHBondContact O-N 3.02Å; S156-T208 VanDerWaalsContact OG-CG2 3.24Å; S156-T208 WeakPolarHBondContact OG-CG2 3.29Å; S156-E210 WeakPolarHBondContact CB-OE1 3.47Å; S156-E210 PolarHBondContact OG-OE1 2.72Å
157C98.6Very high93.2Very high5 Ų541.2 Ų41.23%0.03422%0.224CC..EExtended strand (participates in β ladder)trans-132125.8172.9-173.40000109G132 S206 L207 A228 A232G132-C157 WeakPolarHBondContact CA-O 3.33Å; G132-C157 PolarHBondContact O-N 3.07Å; C157-S206 CarbonylContact C-O 3.59Å; C157-S206 VanDerWaalsContact CA-O 3.28Å; C157-S206 WeakPolarHBondContact CA-O 3.38Å; C157-L207 HydrophobicContact CB-CD1 4.41Å; C157-L207 HydrophobicContact CB-CG 4.47Å; C157-A228 HydrophobicContact CB-CB 4.12Å; C157-A232 HydrophobicContact CB-CB 4.38Å; C157-A232 WeakPolarHBondContact O-CB 3.49Å
158V97.9Very high93.4Very high90 Ų9039 Ų3955%0.54522%0.217SC..EExtended strand (participates in β ladder)trans-112.4138.1171-63.30000109.2A205 S206V158-A205 CarbonylContact O-C 3.45Å; V158-A205 WeakPolarHBondContact O-CA 3.42Å; V158-S206 PolarHBondContact N-O 3.09Å; V158-S206 PolarHBondContact O-N 3.43Å
159V95.8Very high93.6Very high38 Ų3840.5 Ų40.523%0.2322%0.221CC..EExtended strand (participates in β ladder)trans-126.1144.6177.1-58.50000110.5S204 A205 L229 A232 L233V159-S204 VanDerWaalsContact CA-O 3.3Å; V159-S204 WeakPolarHBondContact CA-O 3.32Å; V159-A205 HydrophobicContact CG1-CB 3.86Å; V159-L229 HydrophobicContact CG1-CD1 4.15Å; V159-A232 HydrophobicContact CB-CB 4.36Å; V159-A232 HydrophobicContact CG1-CB 3.74Å; V159-A232 HydrophobicContact CG2-CB 3.84Å; V159-A232 WeakPolarHBondContact CG2-O 3.38Å; V159-L233 HydrophobicContact CB-CD2 4.22Å; V159-L233 HydrophobicContact CG1-CD2 3.97Å; V159-L233 HydrophobicContact CG1-CG 4.16Å; V159-L233 HydrophobicContact CG2-CD2 4.26Å
160H91.4Very high93.7Very high119 Ų11939.8 Ų39.855%0.55122%0.218SC*.EExtended strand (participates in β ladder)trans-141.7160168.766.884.8000109.6G162 F203 S204H160-G162 PolarHBondContact O-N 3.15Å; H160-F203 CarbonylContact O-C 3.44Å; H160-F203 VanDerWaalsContact O-CA 3.29Å; H160-F203 WeakPolarHBondContact O-CA 3.25Å; H160-S204 PolarHBondContact N-O 2.94Å; H160-S204 PolarHBondContact O-N 3.47Å
161I86.6Confident93.6Very high78 Ų7844.9 Ų44.940%0.424%0.235SC..EExtended strand (participates in β ladder)trans-64.7132.2171.7-58-61000108.5A346I161-A346 HydrophobicContact CB-CB 4.4Å; I161-A346 HydrophobicContact CD1-CB 3.28Å; I161-A346 HydrophobicContact CG1-CB 3.45Å; I161-A346 VanDerWaalsContact CG1-CB 3.45Å; I161-A346 HydrophobicContact CG2-CB 4.13Å
162G84.8Confident93.7Very high27 Ų2748.4 Ų48.428%0.27825%0.25SC..SBendtrans-171.7-168.8-167.400000113.1H160 G164 P202H160-G162 PolarHBondContact O-N 3.15Å; G162-G164 VanDerWaalsContact C-N 3.27Å; G162-G164 PolarHBondContact O-N 2.89Å; G162-P202 PolarHBondContact N-O 3.02Å; G162-P202 CarbonylContact O-C 3.36Å
163D82.6Confident93.6Very high113 Ų11351 Ų5160%0.60427%0.271SS*.SBendtrans-88.517.6-171.761-16.4000113.9Q200 S204D163-Q200 PolarHBondContact O-NE2 3.38Å; D163-S204 PolarHBondContact N-OG 3.34Å; D163-S204 PolarHBondContact OD1-OG 3.43Å
164G85.8Confident93.6Very high14 Ų1458.9 Ų58.914%0.14431%0.306CS..  trans84.817.4174.100000115G162 F166 I201 F203G162-G164 VanDerWaalsContact C-N 3.27Å; G162-G164 PolarHBondContact O-N 2.89Å; G164-F166 PolarHBondContact O-N 3.41Å; G164-I201 WeakPolarHBondContact CA-O 3.39Å; G164-I201 PolarHBondContact N-O 3.49Å; G164-F203 WeakPolarHBondContact CA-O 3.32Å
165E90.3Very high93.4Very high96 Ų9659.6 Ų59.645%0.44931%0.312SS..  trans-76.3122.9177.7-171.2178.1-16600111.2K172 S204 A205E165-K172 IonicContact OE1-NZ 3.55Å; E165-K172 PolarHBondContact OE1-NZ 3.22Å; E165-S204 PolarHBondContact N-OG 3.1Å; E165-S204 CarbonylContact O-C 3.52Å; E165-S204 WeakPolarHBondContact O-CA 3.26Å; E165-S204 WeakPolarHBondContact O-CB 3.38Å; E165-A205 PolarHBondContact O-N 2.86Å
166F91.9Very high93.2Very high36 Ų3659.9 Ų59.916%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-101108.3167.7-156.6-68.7000109.9G164 M184 M187 Q188 A205 L207 L229G164-F166 PolarHBondContact O-N 3.41Å; F166-M184 HydrophobicContact CD1-SD 4.05Å; F166-M184 HydrophobicContact CE1-CE 4.41Å; F166-M184 HydrophobicContact CE1-CG 4.42Å; F166-M184 HydrophobicContact CE1-SD 3.29Å; F166-M184 WeakPolarHBondContact CE1-SD 3.31Å; F166-M184 HydrophobicContact CZ-SD 3.93Å; F166-M187 HydrophobicContact CZ-CE 4.19Å; F166-Q188 HydrophobicContact CD1-CG 4.28Å; F166-Q188 HydrophobicContact CD2-CG 3.84Å; F166-Q188 HydrophobicContact CE1-CG 4.43Å; F166-Q188 HydrophobicContact CE2-CG 4Å; F166-Q188 HydrophobicContact CG-CG 3.98Å; F166-Q188 HydrophobicContact CZ-CG 4.28Å; F166-A205 HydrophobicContact CD2-CB 3.83Å; F166-A205 HydrophobicContact CE2-CB 3.76Å; F166-A205 HydrophobicContact CG-CB 4.39Å; F166-A205 HydrophobicContact CZ-CB 4.26Å; F166-L207 HydrophobicContact CE1-CB 4.39Å; F166-L229 HydrophobicContact CE2-CD1 3.76Å; F166-L229 HydrophobicContact CE2-CD2 3.51Å; F166-L229 HydrophobicContact CE2-CG 4.27Å; F166-L229 HydrophobicContact CZ-CD1 4.19Å; F166-L229 HydrophobicContact CZ-CD2 3.85Å
167T95.4Very high93Very high20 Ų2059.4 Ų59.412%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-96.7111.4-179.8-660000111I169 K172 A205 S206 L207T167-I169 HydrophobicContact CG2-CG1 4.06Å; T167-K172 HydrophobicContact CG2-CD 3.7Å; T167-K172 PolarHBondContact OG1-NZ 3.45Å; T167-A205 PolarHBondContact N-O 3.44Å; T167-S206 CarbonylContact O-C 3.54Å; T167-S206 WeakPolarHBondContact O-CA 3.45Å; T167-L207 PolarHBondContact O-N 3.43Å
168D96.5Very high92.9Very high14 Ų1464.8 Ų64.88%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-88.6107.9161175.4-8.1000108.2E170 R171 K172 H180 M184D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 PolarHBondContact OD1-N 3.3Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; D168-R171 HydrophobicContact CB-CB 3.96Å; D168-R171 VanDerWaalsContact CG-CB 3.45Å; D168-R171 PolarHBondContact O-N 3.29Å; D168-R171 PolarHBondContact OD1-N 3.12Å; D168-R171 VanDerWaalsContact OD2-CB 3.3Å; D168-R171 WeakPolarHBondContact OD2-CB 3.46Å; D168-K172 WeakPolarHBondContact O-CG 3.24Å; D168-K172 PolarHBondContact O-N 3.03Å; D168-H180 VanDerWaalsContact CG-NE2 3.34Å; D168-H180 IonicContact OD1-NE2 3.16Å; D168-H180 PolarHBondContact OD1-NE2 3.17Å; D168-H180 IonicContact OD2-CD2 3.95Å; D168-H180 PolarHBondContact OD2-CD2 2.7Å; D168-H180 IonicContact OD2-CE1 2.85Å; D168-H180 IonicContact OD2-NE2 3.35Å; D168-H180 PolarHBondContact OD2-NE2 3.48Å; D168-M184 HydrophobicContact CB-CE 4.1Å; D168-M184 HydrophobicContact CB-CG 4.24Å
169I97.1Very high92.8Very high59 Ų5964.5 Ų64.530%0.30334%0.336SS..Hα-helixtrans-64.1-41.1-176.6-72.3175.1000110.5T167 R171 K172 A173 S206 L207 T208T167-I169 HydrophobicContact CG2-CG1 4.06Å; I169-R171 VanDerWaalsContact C-N 3.34Å; I169-R171 PolarHBondContact O-N 3.14Å; I169-K172 PolarHBondContact O-N 3.11Å; I169-A173 VanDerWaalsContact O-CB 3.24Å; I169-A173 WeakPolarHBondContact O-CB 3.19Å; I169-A173 PolarHBondContact O-N 3.34Å; I169-S206 VanDerWaalsContact CD1-OG 3.3Å; I169-S206 WeakPolarHBondContact CD1-OG 3.27Å; I169-L207 WeakPolarHBondContact CB-O 3.45Å; I169-L207 PolarHBondContact N-O 2.86Å; I169-T208 HydrophobicContact CD1-CG2 3.99Å
170E96.5Very high92.7Very high5 Ų562.8 Ų62.82%0.02333%0.325CS..Hα-helixtrans-65.2-42.4-178.1-49.3-37.7141.800110.5D168 A173 E174 L175 G176 T208 F209 V216D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 PolarHBondContact OD1-N 3.3Å; D168-E170 VanDerWaalsContact OD1-N 3.12Å; E170-A173 PolarHBondContact O-N 3.04Å; E170-E174 PolarHBondContact O-N 2.88Å; E170-L175 HydrophobicContact CB-CB 4.43Å; E170-L175 CarbonylContact O-C 3.57Å; E170-L175 WeakPolarHBondContact O-CA 3.24Å; E170-L175 PolarHBondContact O-N 3.42Å; E170-G176 VanDerWaalsContact C-N 3.3Å; E170-G176 PolarHBondContact O-N 2.91Å; E170-T208 WeakPolarHBondContact OE1-CA 3.39Å; E170-T208 PolarHBondContact OE1-OG1 2.96Å; E170-F209 HydrophobicContact CG-CB 4.44Å; E170-F209 HydrophobicContact CG-CD2 3.87Å; E170-F209 PolarHBondContact OE1-N 2.94Å; E170-V216 HydrophobicContact CG-CG2 4.37Å
171R93.6Very high93Very high113 Ų11357.6 Ų57.643%0.42630%0.303SS..Hα-helixtrans-65.3-40.9175.6-17359.8174-163.9-1.4112.5D168 I169 A173 E174 G176 N178D168-R171 HydrophobicContact CB-CB 3.96Å; D168-R171 VanDerWaalsContact CG-CB 3.45Å; D168-R171 PolarHBondContact O-N 3.29Å; D168-R171 PolarHBondContact OD1-N 3.12Å; D168-R171 VanDerWaalsContact OD2-CB 3.3Å; D168-R171 WeakPolarHBondContact OD2-CB 3.46Å; I169-R171 VanDerWaalsContact C-N 3.34Å; I169-R171 PolarHBondContact O-N 3.14Å; R171-A173 VanDerWaalsContact C-N 3.33Å; R171-E174 PolarHBondContact O-N 3.3Å; R171-G176 PolarHBondContact NH1-O 2.9Å; R171-N178 PolarHBondContact NH1-OD1 2.77Å
172K95.1Very high93.4Very high121 Ų12159.7 Ų59.753%0.52631%0.309SS..Hα-helixtrans-69.2-29.9177.8-76.8-166.8-175.9173.40112.9E165 T167 D168 I169 E174E165-K172 IonicContact OE1-NZ 3.55Å; E165-K172 PolarHBondContact OE1-NZ 3.22Å; T167-K172 HydrophobicContact CG2-CD 3.7Å; T167-K172 PolarHBondContact OG1-NZ 3.45Å; D168-K172 WeakPolarHBondContact O-CG 3.24Å; D168-K172 PolarHBondContact O-N 3.03Å; I169-K172 PolarHBondContact O-N 3.11Å; K172-E174 VanDerWaalsContact C-N 3.27Å
173A95.2Very high94Very high56 Ų5658.5 Ų58.546%0.46330%0.296SS..THydrogen-bonded Turntrans-84.83177.200000113.5I169 E170 R171 L175I169-A173 VanDerWaalsContact O-CB 3.24Å; I169-A173 WeakPolarHBondContact O-CB 3.19Å; I169-A173 PolarHBondContact O-N 3.34Å; E170-A173 PolarHBondContact O-N 3.04Å; R171-A173 VanDerWaalsContact C-N 3.33Å; A173-L175 HydrophobicContact CB-CD1 4.32Å; A173-L175 HydrophobicContact CB-CG 4.28Å; A173-L175 PolarHBondContact O-N 3.33Å
174E94.9Very high94.6Very high183 Ų18353.3 Ų53.386%0.85527%0.269SS*.THydrogen-bonded Turntrans61.925.8-175.6-52.7-178.9175.600113.5E170 R171 K172E170-E174 PolarHBondContact O-N 2.88Å; R171-E174 PolarHBondContact O-N 3.3Å; K172-E174 VanDerWaalsContact C-N 3.27Å
175L95Very high95.1Very high48 Ų4858.7 Ų58.725%0.25129%0.291SS..  trans-102.1-15.6173.2-61.8177.1000112.5E170 A173 E215 V216E170-L175 HydrophobicContact CB-CB 4.43Å; E170-L175 CarbonylContact O-C 3.57Å; E170-L175 WeakPolarHBondContact O-CA 3.24Å; E170-L175 PolarHBondContact O-N 3.42Å; A173-L175 HydrophobicContact CB-CD1 4.32Å; A173-L175 HydrophobicContact CB-CG 4.28Å; A173-L175 PolarHBondContact O-N 3.33Å; L175-E215 CarbonylContact O-C 3.49Å; L175-E215 VanDerWaalsContact O-CA 3.3Å; L175-E215 WeakPolarHBondContact O-CA 3.31Å; L175-V216 PolarHBondContact O-N 3.4Å
176G93Very high95.4Very high7 Ų755.4 Ų55.47%0.07228%0.277CS..BIsolated β-bridgetrans-88115-179.100000113.5E170 R171E170-G176 VanDerWaalsContact C-N 3.3Å; E170-G176 PolarHBondContact O-N 2.91Å; R171-G176 PolarHBondContact NH1-O 2.9Å
177G94.3Very high95.5Very high6 Ų653.7 Ų53.76%0.06227%0.269CS..  trans-66.6176.7175.500000114A181 V216 D217G177-A181 PolarHBondContact O-N 2.85Å; G177-A181 VanDerWaalsContact O-N 3.11Å; G177-V216 PolarHBondContact N-O 3.03Å; G177-D217 VanDerWaalsContact C-OD1 3.26Å; G177-D217 VanDerWaalsContact CA-OD1 3.31Å; G177-D217 WeakPolarHBondContact CA-OD1 3.48Å
178N96.3Very high95.4Very high117 Ų11755.2 Ų55.263%0.62628%0.275SS*.Hα-helixtrans-76.9-29-174.9-70.3-37.6000113.1R171 K182 D217R171-N178 PolarHBondContact NH1-OD1 2.77Å; N178-K182 PolarHBondContact O-N 3.08Å; N178-D217 PolarHBondContact N-OD1 3.16Å
179I96Very high95.2Very high84 Ų8456.3 Ų56.343%0.43129%0.286SS..Hα-helixtrans-74.2-41.1177.8-55.8177.2000108.9K182 G183 D217 D219I179-K182 WeakPolarHBondContact O-CB 3.31Å; I179-K182 PolarHBondContact O-N 3.16Å; I179-G183 PolarHBondContact O-N 3.14Å; I179-D217 WeakPolarHBondContact CA-OD1 3.32Å; I179-D217 VanDerWaalsContact CB-OD1 3.32Å; I179-D217 WeakPolarHBondContact CB-OD1 3.47Å; I179-D217 PolarHBondContact N-OD1 2.98Å; I179-D219 HydrophobicContact CG2-CB 4.2Å
180H95.2Very high95.1Very high3 Ų353.7 Ų53.71%0.01427%0.272CS..Hα-helixtrans-54.3-53.6170.8172.167.7000111.8D168 K182 G183 M184 F209 D217 G218 E225D168-H180 VanDerWaalsContact CG-NE2 3.34Å; D168-H180 IonicContact OD1-NE2 3.16Å; D168-H180 PolarHBondContact OD1-NE2 3.17Å; D168-H180 IonicContact OD2-CD2 3.95Å; D168-H180 PolarHBondContact OD2-CD2 2.7Å; D168-H180 IonicContact OD2-CE1 2.85Å; D168-H180 IonicContact OD2-NE2 3.35Å; D168-H180 PolarHBondContact OD2-NE2 3.48Å; H180-K182 PolarHBondContact O-N 2.9Å; H180-K182 VanDerWaalsContact O-N 3.16Å; H180-G183 PolarHBondContact O-N 2.83Å; H180-M184 PolarHBondContact O-N 3.37Å; H180-F209 AromaticContact CE1-CE2 3.9Å; H180-D217 PolarHBondContact N-OD1 3.27Å; H180-G218 VanDerWaalsContact CA-O 3.27Å; H180-G218 WeakPolarHBondContact CA-O 3.42Å; H180-E225 IonicContact CE1-OE1 3.19Å; H180-E225 PolarHBondContact CE1-OE1 2.91Å; H180-E225 VanDerWaalsContact CE1-OE1 3.32Å; H180-E225 IonicContact ND1-OE1 3.57Å
181A96Very high94.9Very high9 Ų953.5 Ų53.57%0.07427%0.271CS..Hα-helixtrans-58.2-34.1179.200000113G177 M185G177-A181 PolarHBondContact O-N 2.85Å; G177-A181 VanDerWaalsContact O-N 3.11Å; A181-M185 VanDerWaalsContact O-CG 3.31Å; A181-M185 WeakPolarHBondContact O-CG 3.39Å; A181-M185 PolarHBondContact O-N 3.18Å; A181-M185 VanDerWaalsContact O-N 3.15Å
182K97Very high94.7Very high123 Ų12350.6 Ų50.654%0.53526%0.263SS..Hα-helixtrans-67.3-44.7174.5-179-170.1171.1-1590111.5N178 I179 H180 M184 M185 I186N178-K182 PolarHBondContact O-N 3.08Å; I179-K182 WeakPolarHBondContact O-CB 3.31Å; I179-K182 PolarHBondContact O-N 3.16Å; H180-K182 PolarHBondContact O-N 2.9Å; H180-K182 VanDerWaalsContact O-N 3.16Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.95Å; K182-M185 PolarHBondContact O-N 3.17Å; K182-I186 HydrophobicContact CG-CD1 4.03Å; K182-I186 WeakPolarHBondContact O-CG1 3.15Å; K182-I186 PolarHBondContact O-N 2.85Å
183G96.4Very high94.5Very high1 Ų148.6 Ų48.61%0.0127%0.265CS..Hα-helixtrans-57.6-45.8175.800000111.9I179 H180 M185 I186 M187I179-G183 PolarHBondContact O-N 3.14Å; H180-G183 PolarHBondContact O-N 2.83Å; G183-M185 PolarHBondContact O-N 2.94Å; G183-I186 PolarHBondContact O-N 3.1Å; G183-M187 WeakPolarHBondContact O-CB 3.39Å; G183-M187 PolarHBondContact O-N 2.89Å
184M95.5Very high94.3Very high5 Ų549.2 Ų49.23%0.02526%0.258CS..Hα-helixtrans-56.6-47.1175.6-174.662.265.800112.6F166 D168 H180 K182 I186 M187 Q188 L207F166-M184 HydrophobicContact CD1-SD 4.05Å; F166-M184 HydrophobicContact CE1-CE 4.41Å; F166-M184 HydrophobicContact CE1-CG 4.42Å; F166-M184 HydrophobicContact CE1-SD 3.29Å; F166-M184 WeakPolarHBondContact CE1-SD 3.31Å; F166-M184 HydrophobicContact CZ-SD 3.93Å; D168-M184 HydrophobicContact CB-CE 4.1Å; D168-M184 HydrophobicContact CB-CG 4.24Å; H180-M184 PolarHBondContact O-N 3.37Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.95Å; M184-I186 PolarHBondContact O-N 3.4Å; M184-M187 HydrophobicContact CE-CE 4.2Å; M184-M187 PolarHBondContact O-N 2.95Å; M184-M187 HydrophobicContact SD-CE 3.37Å; M184-M187 WeakPolarHBondContact SD-CE 3.27Å; M184-Q188 VanDerWaalsContact O-CG 3.28Å; M184-Q188 WeakPolarHBondContact O-CG 3.49Å; M184-Q188 PolarHBondContact O-N 2.98Å; M184-L207 HydrophobicContact CE-CB 4.45Å; M184-L207 HydrophobicContact CE-CD1 4.31Å; M184-L207 HydrophobicContact CE-CD2 3.89Å; M184-L207 HydrophobicContact CE-CG 4.44Å
185M95.3Very high94.1Very high126 Ų12640.7 Ų40.762%0.62122%0.218SC*.Hα-helixtrans-64.2-38.5177.7-70.1175.8-167.700112.7A181 K182 G183 Q188 A189A181-M185 VanDerWaalsContact O-CG 3.31Å; A181-M185 WeakPolarHBondContact O-CG 3.39Å; A181-M185 PolarHBondContact O-N 3.18Å; A181-M185 VanDerWaalsContact O-N 3.15Å; K182-M185 PolarHBondContact O-N 3.17Å; G183-M185 PolarHBondContact O-N 2.94Å; M185-Q188 PolarHBondContact O-N 3Å; M185-A189 WeakPolarHBondContact O-CB 3.39Å; M185-A189 PolarHBondContact O-N 2.99Å
186I96.8Very high93.7Very high27 Ų2746.2 Ų46.214%0.13824%0.243CC..Hα-helixtrans-64.2-47.3178.7-73.6168000110.6K182 G183 M184 Q188 A189 F190 V248 Q250K182-I186 HydrophobicContact CG-CD1 4.03Å; K182-I186 WeakPolarHBondContact O-CG1 3.15Å; K182-I186 PolarHBondContact O-N 2.85Å; G183-I186 PolarHBondContact O-N 3.1Å; M184-I186 PolarHBondContact O-N 3.4Å; I186-Q188 PolarHBondContact O-N 2.79Å; I186-A189 PolarHBondContact O-N 3.07Å; I186-F190 PolarHBondContact O-N 2.87Å; I186-V248 HydrophobicContact CG2-CG1 4.3Å; I186-V248 VanDerWaalsContact CG2-O 3.26Å; I186-V248 WeakPolarHBondContact CG2-O 3.13Å; I186-Q250 HydrophobicContact CB-CG 4.35Å; I186-Q250 HydrophobicContact CG1-CG 4.2Å; I186-Q250 HydrophobicContact CG2-CG 3.9Å
187M94.9Very high92.8Very high0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-61.9-42.9178.3178.2-176.961.700112.2F166 G183 M184 F190 L191 L207 E225 L226 V248F166-M187 HydrophobicContact CZ-CE 4.19Å; G183-M187 WeakPolarHBondContact O-CB 3.39Å; G183-M187 PolarHBondContact O-N 2.89Å; M184-M187 HydrophobicContact CE-CE 4.2Å; M184-M187 PolarHBondContact O-N 2.95Å; M184-M187 HydrophobicContact SD-CE 3.37Å; M184-M187 WeakPolarHBondContact SD-CE 3.27Å; M187-F190 PolarHBondContact O-N 3.37Å; M187-L191 PolarHBondContact O-N 3.18Å; M187-L207 HydrophobicContact CE-CD1 4.23Å; M187-E225 HydrophobicContact CE-CB 3.79Å; M187-E225 HydrophobicContact SD-CB 3.49Å; M187-E225 WeakPolarHBondContact SD-CB 3.29Å; M187-L226 HydrophobicContact CG-CB 3.58Å; M187-L226 HydrophobicContact CG-CD1 3.6Å; M187-L226 HydrophobicContact CG-CD2 4.13Å; M187-L226 HydrophobicContact CG-CG 3.92Å; M187-L226 WeakPolarHBondContact SD-CA 3.37Å; M187-L226 HydrophobicContact SD-CB 3.49Å; M187-L226 WeakPolarHBondContact SD-CB 3.5Å; M187-L226 HydrophobicContact SD-CD1 4.31Å; M187-L226 HydrophobicContact SD-CG 4.39Å; M187-L226 PolarHBondContact SD-N 3.39Å; M187-V248 HydrophobicContact CB-CG1 4.41Å
188Q92.3Very high91.7Very high53 Ų5357.4 Ų57.425%0.24829%0.293CS..Hα-helixtrans-60.1-45.9173.4-72.7172.518.800111.2F166 M184 M185 I186 F190 L191 M192F166-Q188 HydrophobicContact CD1-CG 4.28Å; F166-Q188 HydrophobicContact CD2-CG 3.84Å; F166-Q188 HydrophobicContact CE1-CG 4.43Å; F166-Q188 HydrophobicContact CE2-CG 4Å; F166-Q188 HydrophobicContact CG-CG 3.98Å; F166-Q188 HydrophobicContact CZ-CG 4.28Å; M184-Q188 VanDerWaalsContact O-CG 3.28Å; M184-Q188 WeakPolarHBondContact O-CG 3.49Å; M184-Q188 PolarHBondContact O-N 2.98Å; M185-Q188 PolarHBondContact O-N 3Å; I186-Q188 PolarHBondContact O-N 2.79Å; Q188-F190 PolarHBondContact O-N 2.87Å; Q188-L191 PolarHBondContact O-N 3.42Å; Q188-M192 WeakPolarHBondContact O-CB 3.32Å; Q188-M192 WeakPolarHBondContact O-CG 3.21Å; Q188-M192 PolarHBondContact O-N 3.18Å
189A92.8Very high90.3Very high36 Ų3659.7 Ų59.730%0.29830%0.3SS..Hα-helixtrans-61.1-42.6179.100000112.3M185 I186 M192 S193 Q250M185-A189 WeakPolarHBondContact O-CB 3.39Å; M185-A189 PolarHBondContact O-N 2.99Å; I186-A189 PolarHBondContact O-N 3.07Å; A189-M192 PolarHBondContact O-N 3.35Å; A189-S193 WeakPolarHBondContact O-CB 3.45Å; A189-S193 PolarHBondContact O-N 3.15Å; A189-Q250 HydrophobicContact CB-CG 4.32Å
190F94.4Very high89.3Confident4 Ų462.9 Ų62.92%0.01831%0.313CS..Hα-helixtrans-56.3-56.3173.4167.4-99000111I186 M187 Q188 M192 S193 E194 L226 G252 V315I186-F190 PolarHBondContact O-N 2.87Å; M187-F190 PolarHBondContact O-N 3.37Å; Q188-F190 PolarHBondContact O-N 2.87Å; F190-M192 VanDerWaalsContact C-N 3.28Å; F190-M192 PolarHBondContact O-N 3.04Å; F190-S193 WeakPolarHBondContact O-CB 3.19Å; F190-S193 PolarHBondContact O-N 3.09Å; F190-S193 VanDerWaalsContact O-N 3.15Å; F190-E194 HydrophobicContact CD2-CG 4.01Å; F190-E194 HydrophobicContact CE1-CG 4.18Å; F190-E194 HydrophobicContact CE2-CG 3.6Å; F190-E194 HydrophobicContact CG-CG 4.49Å; F190-E194 HydrophobicContact CZ-CG 3.7Å; F190-E194 WeakPolarHBondContact O-CG 3.42Å; F190-E194 PolarHBondContact O-N 3.04Å; F190-L226 HydrophobicContact CD1-CD1 3.91Å; F190-L226 HydrophobicContact CD1-CD2 3.42Å; F190-L226 VanDerWaalsContact CD1-CD2 3.42Å; F190-L226 HydrophobicContact CD1-CG 4.28Å; F190-L226 HydrophobicContact CE1-CD1 4.19Å; F190-L226 HydrophobicContact CE1-CD2 3.66Å; F190-L226 HydrophobicContact CE1-CG 4.37Å; F190-L226 HydrophobicContact CG-CD2 4.28Å; F190-G252 VanDerWaalsContact CD2-N 3.34Å; F190-V315 HydrophobicContact CE1-CG1 3.92Å; F190-V315 HydrophobicContact CE2-CG1 4.35Å; F190-V315 HydrophobicContact CZ-CG1 3.62Å
191L92.5Very high88.5Confident1 Ų164.3 Ų64.31%0.00532%0.32CS..Hα-helixtrans-59.9-40.9-177.1-177.769.8000111.8M187 Q188 E194 L195 F203 L229 I230 L233 W327M187-L191 PolarHBondContact O-N 3.18Å; Q188-L191 PolarHBondContact O-N 3.42Å; L191-E194 PolarHBondContact O-N 3.39Å; L191-L195 HydrophobicContact CD1-CD1 3.9Å; L191-L195 HydrophobicContact CD1-CG 4.03Å; L191-L195 HydrophobicContact CD2-CD1 4.34Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.28Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 2.85Å; L191-F203 HydrophobicContact CD2-CZ 3.99Å; L191-L229 HydrophobicContact CD2-CD2 3.51Å; L191-L229 HydrophobicContact CD2-CG 3.97Å; L191-I230 HydrophobicContact CD1-CG1 4.38Å; L191-L233 HydrophobicContact CD1-CD1 4.28Å; L191-L233 HydrophobicContact CD2-CD1 3.47Å; L191-L233 VanDerWaalsContact CD2-CD1 3.47Å; L191-L233 HydrophobicContact CG-CD1 4.46Å; L191-W327 HydrophobicContact CD1-CH2 3.98Å
192M89Confident88Confident52 Ų5265.1 Ų65.126%0.25633%0.325SS..Hα-helixtrans-64.5-41.6178.2-71.9-55.3106.300112.9Q188 A189 F190 L195 Q196 L197 I201 F203Q188-M192 WeakPolarHBondContact O-CB 3.32Å; Q188-M192 WeakPolarHBondContact O-CG 3.21Å; Q188-M192 PolarHBondContact O-N 3.18Å; A189-M192 PolarHBondContact O-N 3.35Å; F190-M192 VanDerWaalsContact C-N 3.28Å; F190-M192 PolarHBondContact O-N 3.04Å; M192-L195 HydrophobicContact CE-CD1 4.42Å; M192-Q196 PolarHBondContact O-N 3.43Å; M192-L197 HydrophobicContact CE-CD1 4.18Å; M192-L197 HydrophobicContact SD-CD1 3.99Å; M192-I201 HydrophobicContact CE-CD1 3.65Å; M192-I201 HydrophobicContact CE-CG1 3.89Å; M192-I201 HydrophobicContact CE-CG2 4.3Å; M192-I201 HydrophobicContact CG-CD1 4.22Å; M192-I201 HydrophobicContact SD-CD1 3.37Å; M192-I201 WeakPolarHBondContact SD-CD1 3.37Å; M192-I201 HydrophobicContact SD-CG1 3.33Å; M192-I201 WeakPolarHBondContact SD-CG1 3.47Å; M192-F203 HydrophobicContact CE-CE1 4.42Å; M192-F203 HydrophobicContact CE-CZ 3.85Å
193S90.9Very high87.6Confident80 Ų8059.5 Ų59.556%0.55930%0.301SS*.Hα-helixtrans-62.9-46.3176.2-177.70000111A189 F190 Q196A189-S193 WeakPolarHBondContact O-CB 3.45Å; A189-S193 PolarHBondContact O-N 3.15Å; F190-S193 WeakPolarHBondContact O-CB 3.19Å; F190-S193 PolarHBondContact O-N 3.09Å; F190-S193 VanDerWaalsContact O-N 3.15Å; S193-Q196 WeakPolarHBondContact O-CG 3.38Å; S193-Q196 PolarHBondContact O-N 3.48Å
194E92.5Very high87.5Confident68 Ų6859.8 Ų59.832%0.31830%0.302SS..Hα-helixtrans-69.2-39.9-176.6-71.3-66.6108.300113.1F190 L191 Q196 W327F190-E194 HydrophobicContact CD2-CG 4.01Å; F190-E194 HydrophobicContact CE1-CG 4.18Å; F190-E194 HydrophobicContact CE2-CG 3.6Å; F190-E194 HydrophobicContact CG-CG 4.49Å; F190-E194 HydrophobicContact CZ-CG 3.7Å; F190-E194 WeakPolarHBondContact O-CG 3.42Å; F190-E194 PolarHBondContact O-N 3.04Å; L191-E194 PolarHBondContact O-N 3.39Å; E194-Q196 PolarHBondContact O-N 3.35Å; E194-W327 HydrophobicContact CB-CZ2 3.74Å; E194-W327 HydrophobicContact CG-CZ2 4.24Å; E194-W327 PolarHBondContact OE2-NE1 3.12Å
195L89.1Confident87.5Confident5 Ų559.7 Ų59.73%0.02630%0.303CS..Hα-helixtrans-72.1-12.4179.6-69.2178.9000113.5L191 M192 L197 F203 I339L191-L195 HydrophobicContact CD1-CD1 3.9Å; L191-L195 HydrophobicContact CD1-CG 4.03Å; L191-L195 HydrophobicContact CD2-CD1 4.34Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.28Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 2.85Å; M192-L195 HydrophobicContact CE-CD1 4.42Å; L195-L197 HydrophobicContact CB-CD1 4.3Å; L195-L197 HydrophobicContact CB-CD2 4.17Å; L195-L197 HydrophobicContact CB-CG 3.81Å; L195-L197 HydrophobicContact CD1-CD1 4.33Å; L195-L197 PolarHBondContact O-N 2.95Å; L195-L197 VanDerWaalsContact O-N 3.12Å; L195-F203 HydrophobicContact CD1-CE1 4.17Å; L195-I339 HydrophobicContact CD1-CG2 4.34Å; L195-I339 HydrophobicContact CD2-CB 4.46Å; L195-I339 HydrophobicContact CD2-CG2 3.83Å
196Q86.7Confident87.6Confident163 Ų16355.2 Ų55.276%0.76228%0.283SS*.THydrogen-bonded Turntrans47.441.4179.4-60.5-178.38.800113.2M192 S193 E194 E198M192-Q196 PolarHBondContact O-N 3.43Å; S193-Q196 WeakPolarHBondContact O-CG 3.38Å; S193-Q196 PolarHBondContact O-N 3.48Å; E194-Q196 PolarHBondContact O-N 3.35Å; Q196-E198 PolarHBondContact O-N 2.83Å
197L75.8Confident87.7Confident52 Ų5254 Ų5427%0.27228%0.277SS..  trans-66.2121.8-177.6-61.8175000110.2M192 L195 Q199 I343M192-L197 HydrophobicContact CE-CD1 4.18Å; M192-L197 HydrophobicContact SD-CD1 3.99Å; L195-L197 HydrophobicContact CB-CD1 4.3Å; L195-L197 HydrophobicContact CB-CD2 4.17Å; L195-L197 HydrophobicContact CB-CG 3.81Å; L195-L197 HydrophobicContact CD1-CD1 4.33Å; L195-L197 PolarHBondContact O-N 2.95Å; L195-L197 VanDerWaalsContact O-N 3.12Å; L197-Q199 PolarHBondContact O-N 2.87Å; L197-I343 HydrophobicContact CD2-CD1 4.44Å
198E70Confident87.8Confident196 Ų19655 Ų5592%0.91628%0.283SS*.SBendtrans-73-15.7176.5-62.8-174.6166.300113Q196Q196-E198 PolarHBondContact O-N 2.83Å
199Q68.4Low88Confident166 Ų16653 Ų5378%0.77627%0.274SS*.SBendtrans-128.7175.3-175.2-62.8-176.45.900110.7L197L197-Q199 PolarHBondContact O-N 2.87Å
200Q74.6Confident88.2Confident150 Ų15054.5 Ų54.570%0.70128%0.275SS*.SBendtrans-52.7149.3170.8-176.7170.2-6.100110.9D163 P202D163-Q200 PolarHBondContact O-NE2 3.38Å; Q200-P202 WeakPolarHBondContact O-CD 3.19Å; Q200-P202 VanDerWaalsContact O-N 3.17Å
201I77.2Confident88.2Confident33 Ų3357.6 Ų57.617%0.16929%0.289CS..  trans-48.8119.6179.4-53.4-176.7000109.8G164 M192 F203G164-I201 WeakPolarHBondContact CA-O 3.39Å; G164-I201 PolarHBondContact N-O 3.49Å; M192-I201 HydrophobicContact CE-CD1 3.65Å; M192-I201 HydrophobicContact CE-CG1 3.89Å; M192-I201 HydrophobicContact CE-CG2 4.3Å; M192-I201 HydrophobicContact CG-CD1 4.22Å; M192-I201 HydrophobicContact SD-CD1 3.37Å; M192-I201 WeakPolarHBondContact SD-CD1 3.37Å; M192-I201 HydrophobicContact SD-CG1 3.33Å; M192-I201 WeakPolarHBondContact SD-CG1 3.47Å; I201-F203 HydrophobicContact CG2-CD1 3.57Å; I201-F203 HydrophobicContact CG2-CD2 3.61Å; I201-F203 HydrophobicContact CG2-CE1 3.45Å; I201-F203 VanDerWaalsContact CG2-CE1 3.45Å; I201-F203 HydrophobicContact CG2-CE2 3.48Å; I201-F203 VanDerWaalsContact CG2-CE2 3.48Å; I201-F203 HydrophobicContact CG2-CG 3.66Å; I201-F203 HydrophobicContact CG2-CZ 3.4Å; I201-F203 VanDerWaalsContact CG2-CZ 3.4Å; I201-F203 VanDerWaalsContact CG2-O 3.23Å; I201-F203 WeakPolarHBondContact CG2-O 3.46Å; I201-F203 PolarHBondContact O-N 3.35Å
202P85.1Confident88.1Confident27 Ų2759 Ų5918%0.17530%0.299CS..SBendtrans-84.517.1-176.333.5-34.6000113.1G162 Q200 I343G162-P202 PolarHBondContact N-O 3.02Å; G162-P202 CarbonylContact O-C 3.36Å; Q200-P202 WeakPolarHBondContact O-CD 3.19Å; Q200-P202 VanDerWaalsContact O-N 3.17Å; P202-I343 HydrophobicContact CB-CG2 4.19Å; P202-I343 HydrophobicContact CG-CB 4.39Å; P202-I343 HydrophobicContact CG-CD1 4.11Å; P202-I343 HydrophobicContact CG-CG1 4.1Å; P202-I343 HydrophobicContact CG-CG2 3.45Å; P202-I343 VanDerWaalsContact CG-CG2 3.45Å
203F90Very high88.1Confident5 Ų565.8 Ų65.82%0.02232%0.323CS..EExtended strand (participates in β ladder)trans-142.6149.8-178.561.1-100000109.9H160 G164 L191 M192 L195 I201 A205 L233 I343H160-F203 CarbonylContact O-C 3.44Å; H160-F203 VanDerWaalsContact O-CA 3.29Å; H160-F203 WeakPolarHBondContact O-CA 3.25Å; G164-F203 WeakPolarHBondContact CA-O 3.32Å; L191-F203 HydrophobicContact CD2-CZ 3.99Å; M192-F203 HydrophobicContact CE-CE1 4.42Å; M192-F203 HydrophobicContact CE-CZ 3.85Å; L195-F203 HydrophobicContact CD1-CE1 4.17Å; I201-F203 HydrophobicContact CG2-CD1 3.57Å; I201-F203 HydrophobicContact CG2-CD2 3.61Å; I201-F203 HydrophobicContact CG2-CE1 3.45Å; I201-F203 VanDerWaalsContact CG2-CE1 3.45Å; I201-F203 HydrophobicContact CG2-CE2 3.48Å; I201-F203 VanDerWaalsContact CG2-CE2 3.48Å; I201-F203 HydrophobicContact CG2-CG 3.66Å; I201-F203 HydrophobicContact CG2-CZ 3.4Å; I201-F203 VanDerWaalsContact CG2-CZ 3.4Å; I201-F203 VanDerWaalsContact CG2-O 3.23Å; I201-F203 WeakPolarHBondContact CG2-O 3.46Å; I201-F203 PolarHBondContact O-N 3.35Å; F203-A205 HydrophobicContact CD2-CB 4.42Å; F203-A205 HydrophobicContact CE2-CB 4.47Å; F203-L233 HydrophobicContact CB-CD2 4.39Å; F203-L233 HydrophobicContact CD1-CD2 3.71Å; F203-L233 HydrophobicContact CD2-CD2 3.65Å; F203-L233 HydrophobicContact CE1-CD1 4.29Å; F203-L233 HydrophobicContact CE1-CD2 3.76Å; F203-L233 HydrophobicContact CE2-CD1 4.18Å; F203-L233 HydrophobicContact CE2-CD2 3.72Å; F203-L233 HydrophobicContact CG-CD2 3.65Å; F203-L233 HydrophobicContact CZ-CD1 3.83Å; F203-L233 HydrophobicContact CZ-CD2 3.76Å; F203-L233 HydrophobicContact CZ-CG 4.46Å; F203-I343 HydrophobicContact CD1-CD1 4.28Å; F203-I343 HydrophobicContact CE1-CD1 4.39Å
204S93.9Very high88Confident6 Ų665.9 Ų65.94%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-104.8138.9165.9-530000108.5V159 H160 D163 E165V159-S204 VanDerWaalsContact CA-O 3.3Å; V159-S204 WeakPolarHBondContact CA-O 3.32Å; H160-S204 PolarHBondContact N-O 2.94Å; H160-S204 PolarHBondContact O-N 3.47Å; D163-S204 PolarHBondContact N-OG 3.34Å; D163-S204 PolarHBondContact OD1-OG 3.43Å; E165-S204 PolarHBondContact N-OG 3.1Å; E165-S204 CarbonylContact O-C 3.52Å; E165-S204 WeakPolarHBondContact O-CA 3.26Å; E165-S204 WeakPolarHBondContact O-CB 3.38Å
205A95.8Very high87.9Confident4 Ų469.3 Ų69.33%0.03334%0.34CS..EExtended strand (participates in β ladder)trans-121.9143.5179.200000109.4V158 V159 E165 F166 T167 F203 L229V158-A205 CarbonylContact O-C 3.45Å; V158-A205 WeakPolarHBondContact O-CA 3.42Å; V159-A205 HydrophobicContact CG1-CB 3.86Å; E165-A205 PolarHBondContact O-N 2.86Å; F166-A205 HydrophobicContact CD2-CB 3.83Å; F166-A205 HydrophobicContact CE2-CB 3.76Å; F166-A205 HydrophobicContact CG-CB 4.39Å; F166-A205 HydrophobicContact CZ-CB 4.26Å; T167-A205 PolarHBondContact N-O 3.44Å; F203-A205 HydrophobicContact CD2-CB 4.42Å; F203-A205 HydrophobicContact CE2-CB 4.47Å; A205-L229 HydrophobicContact CB-CD1 3.84Å
206S97.6Very high87.8Confident31 Ų3170.1 Ų70.122%0.21735%0.345CS..EExtended strand (participates in β ladder)trans-129.7121.1172.6-174.50000108.9C157 V158 T167 I169C157-S206 CarbonylContact C-O 3.59Å; C157-S206 VanDerWaalsContact CA-O 3.28Å; C157-S206 WeakPolarHBondContact CA-O 3.38Å; V158-S206 PolarHBondContact N-O 3.09Å; V158-S206 PolarHBondContact O-N 3.43Å; T167-S206 CarbonylContact O-C 3.54Å; T167-S206 WeakPolarHBondContact O-CA 3.45Å; I169-S206 VanDerWaalsContact CD1-OG 3.3Å; I169-S206 WeakPolarHBondContact CD1-OG 3.27Å
207L97.8Very high87.9Confident1 Ų166.4 Ų66.41%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-117139.4-178.2-165.9149.6000110.4I155 S156 C157 F166 T167 I169 M184 M187 E225I155-L207 HydrophobicContact CG2-CD1 4.43Å; I155-L207 HydrophobicContact CG2-CD2 3.81Å; I155-L207 HydrophobicContact CG2-CG 4.07Å; S156-L207 VanDerWaalsContact O-CA 3.32Å; S156-L207 WeakPolarHBondContact O-CA 3.43Å; C157-L207 HydrophobicContact CB-CD1 4.41Å; C157-L207 HydrophobicContact CB-CG 4.47Å; F166-L207 HydrophobicContact CE1-CB 4.39Å; T167-L207 PolarHBondContact O-N 3.43Å; I169-L207 WeakPolarHBondContact CB-O 3.45Å; I169-L207 PolarHBondContact N-O 2.86Å; M184-L207 HydrophobicContact CE-CB 4.45Å; M184-L207 HydrophobicContact CE-CD1 4.31Å; M184-L207 HydrophobicContact CE-CD2 3.89Å; M184-L207 HydrophobicContact CE-CG 4.44Å; M187-L207 HydrophobicContact CE-CD1 4.23Å; L207-E225 HydrophobicContact CD1-CB 3.69Å; L207-E225 HydrophobicContact CD1-CG 4.04Å; L207-E225 HydrophobicContact CD2-CG 3.95Å; L207-E225 WeakPolarHBondContact CD2-OE1 3.5Å
208T97.6Very high88.7Confident21 Ų2165 Ų6513%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-149.9153.2177.8-174.10000112.8I155 S156 I169 E170 E210I155-T208 WeakPolarHBondContact CA-O 3.09Å; S156-T208 PolarHBondContact N-O 3.19Å; S156-T208 PolarHBondContact O-N 3.02Å; S156-T208 VanDerWaalsContact OG-CG2 3.24Å; S156-T208 WeakPolarHBondContact OG-CG2 3.29Å; I169-T208 HydrophobicContact CD1-CG2 3.99Å; E170-T208 WeakPolarHBondContact OE1-CA 3.39Å; E170-T208 PolarHBondContact OE1-OG1 2.96Å; T208-E210 HydrophobicContact CG2-CG 4.35Å
209F97.2Very high89.9Confident13 Ų1357.6 Ų57.66%0.05730%0.295CS..EExtended strand (participates in β ladder)trans-87.5107.7163.5-74.4-104.5000108.6I155 E170 H180 Q211 S212 V216 A221 E225I155-F209 HydrophobicContact CD1-CD1 4.14Å; I155-F209 HydrophobicContact CD1-CE1 3.45Å; I155-F209 VanDerWaalsContact CD1-CE1 3.45Å; I155-F209 HydrophobicContact CD1-CE2 4.09Å; I155-F209 HydrophobicContact CD1-CZ 3.42Å; I155-F209 VanDerWaalsContact CD1-CZ 3.42Å; I155-F209 HydrophobicContact CG1-CD1 3.79Å; I155-F209 HydrophobicContact CG1-CE1 3.64Å; I155-F209 HydrophobicContact CG1-CE2 4.37Å; I155-F209 HydrophobicContact CG1-CG 4.24Å; I155-F209 HydrophobicContact CG1-CZ 3.95Å; E170-F209 HydrophobicContact CG-CB 4.44Å; E170-F209 HydrophobicContact CG-CD2 3.87Å; E170-F209 PolarHBondContact OE1-N 2.94Å; H180-F209 AromaticContact CE1-CE2 3.9Å; F209-Q211 PolarHBondContact O-N 2.87Å; F209-S212 WeakPolarHBondContact O-CB 2.9Å; F209-S212 PolarHBondContact O-N 2.9Å; F209-V216 HydrophobicContact CD2-CG1 4.15Å; F209-V216 HydrophobicContact CE1-CG1 4.36Å; F209-V216 HydrophobicContact CE2-CG1 3.97Å; F209-V216 HydrophobicContact CG-CG1 4.44Å; F209-V216 HydrophobicContact CG-CG2 4.45Å; F209-V216 HydrophobicContact CZ-CG1 4.07Å; F209-A221 HydrophobicContact CE1-CB 4.28Å; F209-A221 HydrophobicContact CZ-CB 4.02Å; F209-E225 WeakPolarHBondContact CE2-OE1 3.31Å
210E96.9Very high91.2Very high66 Ų6651.1 Ų51.131%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-67.5134.2-175.7-68.6-76.2173.900111.4R154 S156 T208 S212R154-E210 HydrophobicContact CB-CB 4.11Å; R154-E210 HydrophobicContact CG-CB 4.2Å; R154-E210 HydrophobicContact CG-CG 4.25Å; R154-E210 IonicContact CZ-OE2 2.63Å; R154-E210 IonicContact NH2-OE2 2.65Å; R154-E210 PolarHBondContact NH2-OE2 3.15Å; R154-E210 WeakPolarHBondContact O-CB 3.3Å; R154-E210 PolarHBondContact O-N 3.05Å; S156-E210 WeakPolarHBondContact CB-OE1 3.47Å; S156-E210 PolarHBondContact OG-OE1 2.72Å; T208-E210 HydrophobicContact CG2-CG 4.35Å; E210-S212 PolarHBondContact O-N 2.82Å; E210-S212 VanDerWaalsContact O-N 3.16Å
211Q93.9Very high92.2Very high70 Ų7044.4 Ų44.433%0.32724%0.238SC..THydrogen-bonded Turntrans59.319-178.9-52-179.2-109.200114.2Q121 F209 Y213Q121-Q211 PolarHBondContact O-NE2 3.07Å; F209-Q211 PolarHBondContact O-N 2.87Å; Q211-Y213 WeakPolarHBondContact O-CD2 3.37Å; Q211-Y213 WeakPolarHBondContact O-CE2 3.27Å
212S91.1Very high93.2Very high30 Ų3042.9 Ų42.921%0.2123%0.231CC..  trans-87.1130.6167.8-173.50000110.5F209 E210 V216F209-S212 WeakPolarHBondContact O-CB 2.9Å; F209-S212 PolarHBondContact O-N 2.9Å; E210-S212 PolarHBondContact O-N 2.82Å; E210-S212 VanDerWaalsContact O-N 3.16Å; S212-V216 WeakPolarHBondContact OG-CG2 3.3Å
213Y88.8Confident93.8Very high195 Ų19541.6 Ų41.677%0.76522%0.222SC*.  trans-129.42.2178.4-55.1-74.6000113.1Q211Q211-Y213 WeakPolarHBondContact O-CD2 3.37Å; Q211-Y213 WeakPolarHBondContact O-CE2 3.27Å
214S87.8Confident94.2Very high81 Ų8141.3 Ų41.357%0.56622%0.221SC*.SBendtrans-102.6170.4174.353.40000110.4V216S214-V216 PolarHBondContact O-N 3.02Å
215E90Very high94.4Very high141 Ų14141.2 Ų41.266%0.65922%0.22SC*.  trans-57.7132.7171-172.7175.3178.100110.4L175L175-E215 CarbonylContact O-C 3.49Å; L175-E215 VanDerWaalsContact O-CA 3.3Å; L175-E215 WeakPolarHBondContact O-CA 3.31Å
216V87.4Confident94.5Very high22 Ų2241 Ų4113%0.13322%0.219CC..BIsolated β-bridgetrans-108108.3172.4-179.40000107E170 L175 G177 F209 S212 S214E170-V216 HydrophobicContact CG-CG2 4.37Å; L175-V216 PolarHBondContact O-N 3.4Å; G177-V216 PolarHBondContact N-O 3.03Å; F209-V216 HydrophobicContact CD2-CG1 4.15Å; F209-V216 HydrophobicContact CE1-CG1 4.36Å; F209-V216 HydrophobicContact CE2-CG1 3.97Å; F209-V216 HydrophobicContact CG-CG1 4.44Å; F209-V216 HydrophobicContact CG-CG2 4.45Å; F209-V216 HydrophobicContact CZ-CG1 4.07Å; S212-V216 WeakPolarHBondContact OG-CG2 3.3Å; S214-V216 PolarHBondContact O-N 3.02Å
217D89.8Confident94.5Very high84 Ų8439.6 Ų39.645%0.44921%0.208SC..  trans-132.3144.8174.1-160.826.6000111.3G177 N178 I179 H180G177-D217 VanDerWaalsContact C-OD1 3.26Å; G177-D217 VanDerWaalsContact CA-OD1 3.31Å; G177-D217 WeakPolarHBondContact CA-OD1 3.48Å; N178-D217 PolarHBondContact N-OD1 3.16Å; I179-D217 WeakPolarHBondContact CA-OD1 3.32Å; I179-D217 VanDerWaalsContact CB-OD1 3.32Å; I179-D217 WeakPolarHBondContact CB-OD1 3.47Å; I179-D217 PolarHBondContact N-OD1 2.98Å; H180-D217 PolarHBondContact N-OD1 3.27Å
218G91.9Very high94.6Very high24 Ų2439.5 Ų39.525%0.24721%0.208CC..  trans117.1157.7-170.900000112.9H180H180-G218 VanDerWaalsContact CA-O 3.27Å; H180-G218 WeakPolarHBondContact CA-O 3.42Å
219D94.8Very high94.6Very high40 Ų4038.5 Ų38.521%0.21420%0.202CC..SBendtrans-109.15.3178.659.8-4.4000112.5I179 A221 S222 S247I179-D219 HydrophobicContact CG2-CB 4.2Å; D219-A221 PolarHBondContact O-N 3.05Å; D219-S222 WeakPolarHBondContact O-CB 3.31Å; D219-S222 PolarHBondContact O-N 2.93Å; D219-S222 PolarHBondContact O-OG 3.31Å; D219-S247 WeakPolarHBondContact O-CA 3.34Å; D219-S247 WeakPolarHBondContact O-CB 3.49Å
220S94.9Very high94.6Very high30 Ų3037.9 Ų37.921%0.2120%0.199CC..THydrogen-bonded Turntrans-67.3-6.1-172.378.30000115.5T245 G246 K263S220-T245 PolarHBondContact O-OG1 2.77Å; S220-T245 VanDerWaalsContact O-OG1 3.07Å; S220-G246 CarbonylContact C-O 3.47Å; S220-G246 CarbonylContact O-C 3.6Å; S220-G246 PolarHBondContact O-N 3.06Å; S220-K263 VanDerWaalsContact CB-NZ 3.33Å; S220-K263 PolarHBondContact OG-NZ 2.94Å
221A96.2Very high94.7Very high8 Ų834.8 Ų34.87%0.06618%0.184CC..THydrogen-bonded Turntrans-110.10.4175.100000113A136 I155 F209 D219 M223 A224 E225A136-A221 HydrophobicContact CB-CB 4.06Å; I155-A221 HydrophobicContact CD1-CB 4.01Å; F209-A221 HydrophobicContact CE1-CB 4.28Å; F209-A221 HydrophobicContact CZ-CB 4.02Å; D219-A221 PolarHBondContact O-N 3.05Å; A221-M223 PolarHBondContact O-N 3.32Å; A221-M223 VanDerWaalsContact O-N 3.14Å; A221-A224 WeakPolarHBondContact O-CA 3.49Å; A221-A224 WeakPolarHBondContact O-CB 3.34Å; A221-A224 PolarHBondContact O-N 3.5Å; A221-E225 PolarHBondContact O-N 3.26Å
222S97.7Very high94.9Very high1 Ų131.6 Ų31.61%0.00717%0.17CC..Hα-helixtrans-64-26-173.273.40000113.4D219 E225 L226 S247 V248D219-S222 WeakPolarHBondContact O-CB 3.31Å; D219-S222 PolarHBondContact O-N 2.93Å; D219-S222 PolarHBondContact O-OG 3.31Å; S222-E225 WeakPolarHBondContact CA-OE2 3.44Å; S222-L226 WeakPolarHBondContact O-CB 3.43Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-S247 WeakPolarHBondContact OG-CA 3.19Å; S222-V248 WeakPolarHBondContact OG-CG1 3.35Å; S222-V248 PolarHBondContact OG-N 3.47Å
223M97.8Very high95.1Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-69-37.6171.1-168.2-177.8-64.300112.1A221 L226 C227 I244 G246 A254 V312 V315A221-M223 PolarHBondContact O-N 3.32Å; A221-M223 VanDerWaalsContact O-N 3.14Å; M223-L226 PolarHBondContact O-N 3.3Å; M223-C227 PolarHBondContact O-N 2.66Å; M223-C227 VanDerWaalsContact O-N 3.1Å; M223-C227 PolarHBondContact O-SG 3.4Å; M223-I244 HydrophobicContact CG-CD1 3.8Å; M223-I244 HydrophobicContact CG-CG1 4.45Å; M223-I244 HydrophobicContact SD-CD1 3.62Å; M223-I244 HydrophobicContact SD-CG1 4.14Å; M223-G246 WeakPolarHBondContact CB-O 3.26Å; M223-G246 PolarHBondContact N-O 2.92Å; M223-G246 VanDerWaalsContact N-O 3.11Å; M223-A254 VanDerWaalsContact CE-CA 3.4Å; M223-A254 HydrophobicContact CE-CB 3.29Å; M223-V312 HydrophobicContact SD-CG2 4.15Å; M223-V315 HydrophobicContact CG-CG2 4.38Å
224A98.5Very high95.5Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-64.2-49.2174.500000110.3I134 A136 I155 A221 L226 C227 A228 I244I134-A224 HydrophobicContact CD1-CB 4.45Å; I134-A224 HydrophobicContact CG2-CB 4.02Å; I134-A224 WeakPolarHBondContact CG2-O 3.47Å; A136-A224 HydrophobicContact CB-CB 3.8Å; I155-A224 HydrophobicContact CD1-CB 4.19Å; A221-A224 WeakPolarHBondContact O-CA 3.49Å; A221-A224 WeakPolarHBondContact O-CB 3.34Å; A221-A224 PolarHBondContact O-N 3.5Å; A224-L226 PolarHBondContact O-N 3.01Å; A224-C227 PolarHBondContact O-N 3.3Å; A224-A228 PolarHBondContact O-N 3.21Å; A224-I244 HydrophobicContact CB-CG2 3.52Å
225E98.3Very high95.9Very high4 Ų421.8 Ų21.82%0.01912%0.123CC..Hα-helixtrans-53.5-41.6175.6-65.9-178.2134.200111.9I155 H180 M187 L207 F209 A221 S222 A228 L229I155-E225 HydrophobicContact CD1-CG 3.72Å; I155-E225 HydrophobicContact CG2-CG 4.22Å; H180-E225 IonicContact CE1-OE1 3.19Å; H180-E225 PolarHBondContact CE1-OE1 2.91Å; H180-E225 VanDerWaalsContact CE1-OE1 3.32Å; H180-E225 IonicContact ND1-OE1 3.57Å; M187-E225 HydrophobicContact CE-CB 3.79Å; M187-E225 HydrophobicContact SD-CB 3.49Å; M187-E225 WeakPolarHBondContact SD-CB 3.29Å; L207-E225 HydrophobicContact CD1-CB 3.69Å; L207-E225 HydrophobicContact CD1-CG 4.04Å; L207-E225 HydrophobicContact CD2-CG 3.95Å; L207-E225 WeakPolarHBondContact CD2-OE1 3.5Å; F209-E225 WeakPolarHBondContact CE2-OE1 3.31Å; A221-E225 PolarHBondContact O-N 3.26Å; S222-E225 WeakPolarHBondContact CA-OE2 3.44Å; E225-A228 PolarHBondContact O-N 2.72Å; E225-L229 WeakPolarHBondContact O-CB 3.25Å; E225-L229 PolarHBondContact O-N 3.4Å
226L98.2Very high96.3Very high0 Ų016 Ų160%010%0.097CC..Hα-helixtrans-68-44.2-178.6-176.844.8000111M187 F190 S222 M223 A224 A228 L229 I230 V248 V315M187-L226 HydrophobicContact CG-CB 3.58Å; M187-L226 HydrophobicContact CG-CD1 3.6Å; M187-L226 HydrophobicContact CG-CD2 4.13Å; M187-L226 HydrophobicContact CG-CG 3.92Å; M187-L226 WeakPolarHBondContact SD-CA 3.37Å; M187-L226 HydrophobicContact SD-CB 3.49Å; M187-L226 WeakPolarHBondContact SD-CB 3.5Å; M187-L226 HydrophobicContact SD-CD1 4.31Å; M187-L226 HydrophobicContact SD-CG 4.39Å; M187-L226 PolarHBondContact SD-N 3.39Å; F190-L226 HydrophobicContact CD1-CD1 3.91Å; F190-L226 HydrophobicContact CD1-CD2 3.42Å; F190-L226 VanDerWaalsContact CD1-CD2 3.42Å; F190-L226 HydrophobicContact CD1-CG 4.28Å; F190-L226 HydrophobicContact CE1-CD1 4.19Å; F190-L226 HydrophobicContact CE1-CD2 3.66Å; F190-L226 HydrophobicContact CE1-CG 4.37Å; F190-L226 HydrophobicContact CG-CD2 4.28Å; S222-L226 WeakPolarHBondContact O-CB 3.43Å; S222-L226 PolarHBondContact O-N 3.49Å; M223-L226 PolarHBondContact O-N 3.3Å; A224-L226 PolarHBondContact O-N 3.01Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 3.18Å; L226-L229 PolarHBondContact O-N 3.06Å; L226-I230 HydrophobicContact CD1-CD1 3.72Å; L226-I230 HydrophobicContact CD1-CG1 4.03Å; L226-I230 HydrophobicContact CG-CD1 3.89Å; L226-I230 WeakPolarHBondContact O-CB 3.46Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.33Å; L226-I230 PolarHBondContact O-N 3.42Å; L226-V248 HydrophobicContact CD2-CG1 4.32Å; L226-V248 HydrophobicContact CD2-CG2 4.24Å; L226-V315 HydrophobicContact CB-CG2 4.47Å; L226-V315 HydrophobicContact CD2-CB 4.2Å; L226-V315 HydrophobicContact CD2-CG1 4.11Å; L226-V315 HydrophobicContact CD2-CG2 3.8Å; L226-V315 HydrophobicContact CG-CG2 3.99Å
227C98.6Very high96.9Very high0 Ų017 Ų170%010%0.104CC..Hα-helixtrans-62.6-39.8174.8-69.10000112.1I134 M223 A224 I230 S231 L319 L322I134-C227 HydrophobicContact CD1-CB 3.66Å; M223-C227 PolarHBondContact O-N 2.66Å; M223-C227 VanDerWaalsContact O-N 3.1Å; M223-C227 PolarHBondContact O-SG 3.4Å; A224-C227 PolarHBondContact O-N 3.3Å; C227-I230 PolarHBondContact O-N 2.88Å; C227-S231 VanDerWaalsContact O-CB 3.25Å; C227-S231 WeakPolarHBondContact O-CB 3.31Å; C227-S231 PolarHBondContact O-N 2.81Å; C227-L319 HydrophobicContact CB-CD2 4.42Å; C227-L322 HydrophobicContact CB-CD1 3.79Å; C227-L322 VanDerWaalsContact SG-CD1 3.59Å
228A98.6Very high97.3Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-64.4-43.4175.100000111.9G132 I134 C157 A224 E225 L226 S231 A232G132-A228 WeakPolarHBondContact CA-O 3.37Å; I134-A228 HydrophobicContact CB-CB 4.4Å; I134-A228 HydrophobicContact CG2-CB 3.79Å; C157-A228 HydrophobicContact CB-CB 4.12Å; A224-A228 PolarHBondContact O-N 3.21Å; E225-A228 PolarHBondContact O-N 2.72Å; L226-A228 VanDerWaalsContact C-N 3.34Å; L226-A228 PolarHBondContact O-N 3.18Å; A228-S231 WeakPolarHBondContact O-CB 3.21Å; A228-S231 PolarHBondContact O-N 3.06Å; A228-A232 WeakPolarHBondContact O-CB 3.39Å; A228-A232 PolarHBondContact O-N 2.66Å
229L97.7Very high97.6Very high0 Ų013.3 Ų13.30%08%0.078CC..Hα-helixtrans-62.2-47.7175.3175.262.1000111.8V159 F166 L191 A205 E225 L226 S231 A232 L233V159-L229 HydrophobicContact CG1-CD1 4.15Å; F166-L229 HydrophobicContact CE2-CD1 3.76Å; F166-L229 HydrophobicContact CE2-CD2 3.51Å; F166-L229 HydrophobicContact CE2-CG 4.27Å; F166-L229 HydrophobicContact CZ-CD1 4.19Å; F166-L229 HydrophobicContact CZ-CD2 3.85Å; L191-L229 HydrophobicContact CD2-CD2 3.51Å; L191-L229 HydrophobicContact CD2-CG 3.97Å; A205-L229 HydrophobicContact CB-CD1 3.84Å; E225-L229 WeakPolarHBondContact O-CB 3.25Å; E225-L229 PolarHBondContact O-N 3.4Å; L226-L229 PolarHBondContact O-N 3.06Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.44Å; L229-A232 PolarHBondContact O-N 3.3Å; L229-L233 HydrophobicContact CD1-CD1 3.92Å; L229-L233 HydrophobicContact CD1-CG 4.17Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.42Å
230I97.8Very high97.8Very high0 Ų011.4 Ų11.40%07%0.068CC..Hα-helixtrans-61-43.6177.2-72167.8000110.6L191 L226 C227 A232 L233 A234 L319 L323 W327 L335 I339L191-I230 HydrophobicContact CD1-CG1 4.38Å; L226-I230 HydrophobicContact CD1-CD1 3.72Å; L226-I230 HydrophobicContact CD1-CG1 4.03Å; L226-I230 HydrophobicContact CG-CD1 3.89Å; L226-I230 WeakPolarHBondContact O-CB 3.46Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.33Å; L226-I230 PolarHBondContact O-N 3.42Å; C227-I230 PolarHBondContact O-N 2.88Å; I230-A232 PolarHBondContact O-N 2.86Å; I230-L233 PolarHBondContact O-N 3.18Å; I230-A234 VanDerWaalsContact O-CB 3.25Å; I230-A234 WeakPolarHBondContact O-CB 3.35Å; I230-A234 PolarHBondContact O-N 3.39Å; I230-L319 HydrophobicContact CB-CD2 4.24Å; I230-L319 HydrophobicContact CD1-CD1 3.99Å; I230-L319 HydrophobicContact CD1-CD2 3.96Å; I230-L319 HydrophobicContact CG2-CD2 3.88Å; I230-L323 HydrophobicContact CG2-CD1 4.07Å; I230-W327 HydrophobicContact CB-CZ3 4.43Å; I230-W327 HydrophobicContact CD1-CE3 4.09Å; I230-W327 HydrophobicContact CD1-CH2 4.17Å; I230-W327 HydrophobicContact CD1-CZ3 3.6Å; I230-W327 HydrophobicContact CG1-CH2 4.28Å; I230-W327 HydrophobicContact CG1-CZ3 3.77Å; I230-W327 HydrophobicContact CG2-CE3 4.28Å; I230-W327 HydrophobicContact CG2-CZ3 3.8Å; I230-L335 HydrophobicContact CG2-CB 4.33Å; I230-L335 HydrophobicContact CG2-CD1 4.04Å; I230-L335 HydrophobicContact CG2-CD2 4.42Å; I230-I339 HydrophobicContact CG2-CD1 4.32Å
231S98.6Very high98Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-55.6-50.4174.2170.80000112.1G132 C227 A228 L229 L233 A234 D235 V236 V238G132-S231 PolarHBondContact N-OG 2.93Å; C227-S231 VanDerWaalsContact O-CB 3.25Å; C227-S231 WeakPolarHBondContact O-CB 3.31Å; C227-S231 PolarHBondContact O-N 2.81Å; A228-S231 WeakPolarHBondContact O-CB 3.21Å; A228-S231 PolarHBondContact O-N 3.06Å; L229-S231 VanDerWaalsContact C-N 3.33Å; L229-S231 PolarHBondContact O-N 3.44Å; S231-L233 PolarHBondContact O-N 2.87Å; S231-A234 PolarHBondContact O-N 2.63Å; S231-D235 PolarHBondContact O-N 2.97Å; S231-V236 WeakPolarHBondContact CB-O 3.36Å; S231-V236 PolarHBondContact O-N 2.82Å; S231-V236 VanDerWaalsContact O-N 3.14Å; S231-V236 PolarHBondContact OG-O 3.08Å; S231-V238 WeakPolarHBondContact OG-CG2 3.45Å
232A98.1Very high98.1Very high4 Ų410 Ų103%0.0336%0.058CC..Hα-helixtrans-62.8-43.2179.900000111.7C157 V159 A228 L229 I230 D235 R342C157-A232 HydrophobicContact CB-CB 4.38Å; C157-A232 WeakPolarHBondContact O-CB 3.49Å; V159-A232 HydrophobicContact CB-CB 4.36Å; V159-A232 HydrophobicContact CG1-CB 3.74Å; V159-A232 HydrophobicContact CG2-CB 3.84Å; V159-A232 WeakPolarHBondContact CG2-O 3.38Å; A228-A232 WeakPolarHBondContact O-CB 3.39Å; A228-A232 PolarHBondContact O-N 2.66Å; L229-A232 PolarHBondContact O-N 3.3Å; I230-A232 PolarHBondContact O-N 2.86Å; A232-D235 PolarHBondContact O-N 2.94Å; A232-R342 PolarHBondContact O-NH1 2.96Å
233L96.1Very high98.1Very high9 Ų910 Ų105%0.0476%0.058CC..Hα-helixtrans-66.9-34.3177.2-70.9171.2000113.2V159 L191 F203 L229 I230 S231 I339 R342V159-L233 HydrophobicContact CB-CD2 4.22Å; V159-L233 HydrophobicContact CG1-CD2 3.97Å; V159-L233 HydrophobicContact CG1-CG 4.16Å; V159-L233 HydrophobicContact CG2-CD2 4.26Å; L191-L233 HydrophobicContact CD1-CD1 4.28Å; L191-L233 HydrophobicContact CD2-CD1 3.47Å; L191-L233 VanDerWaalsContact CD2-CD1 3.47Å; L191-L233 HydrophobicContact CG-CD1 4.46Å; F203-L233 HydrophobicContact CB-CD2 4.39Å; F203-L233 HydrophobicContact CD1-CD2 3.71Å; F203-L233 HydrophobicContact CD2-CD2 3.65Å; F203-L233 HydrophobicContact CE1-CD1 4.29Å; F203-L233 HydrophobicContact CE1-CD2 3.76Å; F203-L233 HydrophobicContact CE2-CD1 4.18Å; F203-L233 HydrophobicContact CE2-CD2 3.72Å; F203-L233 HydrophobicContact CG-CD2 3.65Å; F203-L233 HydrophobicContact CZ-CD1 3.83Å; F203-L233 HydrophobicContact CZ-CD2 3.76Å; F203-L233 HydrophobicContact CZ-CG 4.46Å; L229-L233 HydrophobicContact CD1-CD1 3.92Å; L229-L233 HydrophobicContact CD1-CG 4.17Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.42Å; I230-L233 PolarHBondContact O-N 3.18Å; S231-L233 PolarHBondContact O-N 2.87Å; L233-I339 HydrophobicContact CB-CD1 3.94Å; L233-I339 HydrophobicContact CB-CG1 3.83Å; L233-I339 HydrophobicContact CB-CG2 4.18Å; L233-R342 WeakPolarHBondContact O-CD 3.37Å; L233-R342 PolarHBondContact O-NH1 3.33Å
234A96.4Very high98.2Very high3 Ų310 Ų103%0.0256%0.058CC..Hα-helixtrans-85.6-15.9178.500000113.2I230 S231 V236 L335 T338 I339I230-A234 VanDerWaalsContact O-CB 3.25Å; I230-A234 WeakPolarHBondContact O-CB 3.35Å; I230-A234 PolarHBondContact O-N 3.39Å; S231-A234 PolarHBondContact O-N 2.63Å; A234-V236 HydrophobicContact CB-CB 4.15Å; A234-V236 HydrophobicContact CB-CG2 3.73Å; A234-V236 PolarHBondContact O-N 3.5Å; A234-L335 HydrophobicContact CB-CD2 3.77Å; A234-T338 HydrophobicContact CB-CG2 4.36Å; A234-T338 VanDerWaalsContact O-CG2 3.23Å; A234-T338 WeakPolarHBondContact O-CG2 3.39Å; A234-I339 HydrophobicContact CB-CD1 4.37Å; A234-I339 HydrophobicContact CB-CG1 3.89Å
235D97Very high98.2Very high88 Ų8810 Ų1047%0.4716%0.058SC..THydrogen-bonded Turntrans61.730.2-168.4-13825.7000113.1S231 A232 R342S231-D235 PolarHBondContact O-N 2.97Å; A232-D235 PolarHBondContact O-N 2.94Å; D235-R342 VanDerWaalsContact CB-CZ 3.46Å; D235-R342 IonicContact OD1-NH2 2.98Å; D235-R342 IonicContact OD2-NH2 3.52Å
236V98.3Very high98.2Very high20 Ų209.8 Ų9.812%0.1216%0.057CC..  trans-109.7126.1-175176.80000108.7S231 A234 L323 L325 L335S231-V236 WeakPolarHBondContact CB-O 3.36Å; S231-V236 PolarHBondContact O-N 2.82Å; S231-V236 VanDerWaalsContact O-N 3.14Å; S231-V236 PolarHBondContact OG-O 3.08Å; A234-V236 HydrophobicContact CB-CB 4.15Å; A234-V236 HydrophobicContact CB-CG2 3.73Å; A234-V236 PolarHBondContact O-N 3.5Å; V236-L323 HydrophobicContact CG1-CB 3.98Å; V236-L323 HydrophobicContact CG1-CD2 4.22Å; V236-L323 WeakPolarHBondContact CG1-O 3.45Å; V236-L325 HydrophobicContact CG1-CD1 4.13Å; V236-L325 HydrophobicContact CG2-CD1 3.86Å; V236-L335 HydrophobicContact CB-CD2 4.26Å; V236-L335 HydrophobicContact CG1-CD2 4.47Å; V236-L335 HydrophobicContact CG2-CD2 4.13Å
237P98.6Very high98.1Very high43 Ų4310 Ų1028%0.2796%0.058SC..EExtended strand (participates in β ladder)trans-73.2142.8-17533.4-38.3000112.1E129 I131E129-P237 HydrophobicContact CB-CB 3.76Å; E129-P237 HydrophobicContact CB-CG 4.24Å; I131-P237 HydrophobicContact CG1-CB 3.98Å
238V98.9Very high98.1Very high0 Ų010 Ų100%06%0.058CC..EExtended strand (participates in β ladder)trans-86.1132.8172.7177.70000109.7E129 R130 Q133 I134 S231 Q240 L322 L323E129-V238 CarbonylContact C-O 3.37Å; E129-V238 WeakPolarHBondContact CA-O 3.47Å; R130-V238 PolarHBondContact N-O 2.87Å; R130-V238 PolarHBondContact O-N 2.98Å; Q133-V238 VanDerWaalsContact O-CB 3.24Å; Q133-V238 WeakPolarHBondContact O-CB 3.46Å; I134-V238 HydrophobicContact CB-CG1 4.32Å; I134-V238 HydrophobicContact CD1-CG1 4.26Å; I134-V238 HydrophobicContact CG1-CG1 4.05Å; S231-V238 WeakPolarHBondContact OG-CG2 3.45Å; V238-Q240 PolarHBondContact O-N 3.17Å; V238-Q240 PolarHBondContact O-NE2 3.29Å; V238-L322 CarbonylContact C-O 3.6Å; V238-L322 WeakPolarHBondContact CA-O 3.47Å; V238-L322 HydrophobicContact CG1-CB 4.35Å; V238-L322 HydrophobicContact CG1-CD2 4.06Å; V238-L323 HydrophobicContact CB-CD2 4.21Å; V238-L323 HydrophobicContact CG2-CD2 3.52Å
239N98.6Very high98Very high29 Ų2910.8 Ų10.816%0.1556%0.062CC..EExtended strand (participates in β ladder)trans-66111.6170.9-178.7-6.1000111.3S241 I242 L322N239-S241 PolarHBondContact O-N 2.92Å; N239-S241 WeakPolarHBondContact OD1-CB 3.37Å; N239-S241 PolarHBondContact OD1-N 3.5Å; N239-S241 PolarHBondContact OD1-OG 2.93Å; N239-I242 HydrophobicContact CB-CD1 4.38Å; N239-I242 PolarHBondContact O-N 3.26Å; N239-L322 PolarHBondContact N-O 2.89Å
240Q98.6Very high98Very high0 Ų016.3 Ų16.30%09%0.088CC..THydrogen-bonded Turntrans-76.8-4.3-177.6-56-57.9-71.200113.2E125 T126 E127 G128 R130 Q133 N135 V238 I242E125-Q240 HydrophobicContact CB-CB 3.76Å; E125-Q240 HydrophobicContact CB-CG 4.01Å; T126-Q240 CarbonylContact C-O 3.43Å; T126-Q240 WeakPolarHBondContact CA-O 3.42Å; E127-Q240 WeakPolarHBondContact O-CB 3.29Å; G128-Q240 PolarHBondContact O-N 3.22Å; R130-Q240 HydrophobicContact CB-CG 4.3Å; R130-Q240 HydrophobicContact CG-CG 4.02Å; Q133-Q240 PolarHBondContact O-NE2 3Å; N135-Q240 PolarHBondContact ND2-O 2.96Å; V238-Q240 PolarHBondContact O-N 3.17Å; V238-Q240 PolarHBondContact O-NE2 3.29Å; Q240-I242 PolarHBondContact O-N 2.85Å
241S98.6Very high97.9Very high4 Ų423.5 Ų23.53%0.02812%0.119CC..THydrogen-bonded Turntrans-71.3-13.2171.6-39.40000112.2T126 N239 K279 Q280 G281T126-S241 WeakPolarHBondContact O-CA 3.35Å; N239-S241 PolarHBondContact O-N 2.92Å; N239-S241 WeakPolarHBondContact OD1-CB 3.37Å; N239-S241 PolarHBondContact OD1-N 3.5Å; N239-S241 PolarHBondContact OD1-OG 2.93Å; S241-K279 WeakPolarHBondContact CB-O 3.38Å; S241-Q280 VanDerWaalsContact O-CA 3.24Å; S241-Q280 WeakPolarHBondContact O-CA 3.35Å; S241-G281 PolarHBondContact O-N 3.47Å
242I98.8Very high97.9Very high6 Ų623.5 Ų23.53%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-114.2134.2-171.4-56.7174.2000109.2N239 Q240 G281 I283 W310 L321 L322N239-I242 HydrophobicContact CB-CD1 4.38Å; N239-I242 PolarHBondContact O-N 3.26Å; Q240-I242 PolarHBondContact O-N 2.85Å; I242-G281 WeakPolarHBondContact CA-O 2.86Å; I242-I283 HydrophobicContact CG2-CD1 3.76Å; I242-I283 HydrophobicContact CG2-CG1 3.83Å; I242-W310 HydrophobicContact CD1-CH2 4.08Å; I242-W310 HydrophobicContact CD1-CZ3 4.12Å; I242-W310 HydrophobicContact CG1-CH2 4.15Å; I242-W310 HydrophobicContact CG1-CZ3 3.99Å; I242-W310 HydrophobicContact CG2-CE3 4.45Å; I242-W310 HydrophobicContact CG2-CZ3 4.01Å; I242-L321 VanDerWaalsContact CD1-O 3.24Å; I242-L321 WeakPolarHBondContact CD1-O 3.12Å; I242-L322 HydrophobicContact CB-CD2 4.02Å; I242-L322 HydrophobicContact CG2-CD2 3.8Å
243A98.8Very high97.9Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-108.9161.3165.800000110.9N135 L137 F267 G281 V282 I283N135-A243 HydrophobicContact CB-CB 3.69Å; N135-A243 CarbonylContact O-C 3.59Å; N135-A243 VanDerWaalsContact O-CA 3.26Å; N135-A243 WeakPolarHBondContact O-CA 3.25Å; L137-A243 HydrophobicContact CD1-CB 4.23Å; L137-A243 HydrophobicContact CD2-CB 3.7Å; L137-A243 HydrophobicContact CG-CB 3.99Å; A243-F267 HydrophobicContact CB-CB 4.48Å; A243-F267 HydrophobicContact CB-CD1 3.69Å; A243-F267 HydrophobicContact CB-CD2 3.88Å; A243-F267 HydrophobicContact CB-CE1 3.75Å; A243-F267 HydrophobicContact CB-CE2 3.93Å; A243-F267 HydrophobicContact CB-CG 3.76Å; A243-F267 HydrophobicContact CB-CZ 3.87Å; A243-G281 PolarHBondContact N-O 3.34Å; A243-V282 HydrophobicContact CB-CG2 4.41Å; A243-V282 CarbonylContact O-C 3.54Å; A243-V282 VanDerWaalsContact O-CA 3.27Å; A243-V282 WeakPolarHBondContact O-CA 3.5Å; A243-I283 PolarHBondContact O-N 3.32Å
244I98.8Very high98Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-141.1144.3-178-177.5163.7000111I134 N135 A136 L137 M223 A224 I283 A318 L322I134-I244 HydrophobicContact CD1-CG2 3.53Å; I134-I244 HydrophobicContact CG1-CG2 3.97Å; N135-I244 PolarHBondContact O-N 3.47Å; A136-I244 WeakPolarHBondContact CA-O 3.48Å; L137-I244 PolarHBondContact N-O 3.05Å; M223-I244 HydrophobicContact CG-CD1 3.8Å; M223-I244 HydrophobicContact CG-CG1 4.45Å; M223-I244 HydrophobicContact SD-CD1 3.62Å; M223-I244 HydrophobicContact SD-CG1 4.14Å; A224-I244 HydrophobicContact CB-CG2 3.52Å; I244-I283 WeakPolarHBondContact CA-O 3.36Å; I244-I283 HydrophobicContact CB-CB 4.03Å; I244-I283 HydrophobicContact CD1-CB 3.92Å; I244-I283 HydrophobicContact CD1-CD1 4.16Å; I244-I283 HydrophobicContact CD1-CG2 3.71Å; I244-I283 HydrophobicContact CG1-CB 3.79Å; I244-I283 HydrophobicContact CG1-CG2 3.92Å; I244-A318 HydrophobicContact CD1-CB 3.81Å; I244-L322 HydrophobicContact CD1-CD1 4.07Å
245T98.4Very high98.1Very high0 Ų033.2 Ų33.20%016%0.161CC..  trans-137.9153.7167.1-166.50000109.7L137 S220 V257 L260 K263 I283 I284 P285L137-T245 HydrophobicContact CD1-CG2 4.38Å; S220-T245 PolarHBondContact O-OG1 2.77Å; S220-T245 VanDerWaalsContact O-OG1 3.07Å; T245-V257 HydrophobicContact CG2-CG2 3.87Å; T245-L260 HydrophobicContact CG2-CD1 4.19Å; T245-K263 HydrophobicContact CG2-CD 4.14Å; T245-K263 PolarHBondContact OG1-NZ 3.4Å; T245-I283 PolarHBondContact N-O 2.73Å; T245-I283 VanDerWaalsContact N-O 3.09Å; T245-I284 HydrophobicContact CG2-CG2 4.31Å; T245-P285 WeakPolarHBondContact O-CD 3.34Å
246G98Very high98.1Very high0 Ų032.5 Ų32.50%016%0.161CC..  trans147137.2-173.800000109.8S220 M223S220-G246 CarbonylContact C-O 3.47Å; S220-G246 CarbonylContact O-C 3.6Å; S220-G246 PolarHBondContact O-N 3.06Å; M223-G246 WeakPolarHBondContact CB-O 3.26Å; M223-G246 PolarHBondContact N-O 2.92Å; M223-G246 VanDerWaalsContact N-O 3.11Å
247S97.5Very high98.1Very high4 Ų432.2 Ų32.23%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-84.7162.1160.855.70000109.7D219 S222 Q255D219-S247 WeakPolarHBondContact O-CA 3.34Å; D219-S247 WeakPolarHBondContact O-CB 3.49Å; S222-S247 WeakPolarHBondContact OG-CA 3.19Å; S247-Q255 PolarHBondContact N-O 2.78Å; S247-Q255 PolarHBondContact O-N 2.9Å; S247-Q255 WeakPolarHBondContact OG-CB 3.29Å; S247-Q255 PolarHBondContact OG-OE1 2.77Å
248V97.6Very high97.9Very high1 Ų132.9 Ų32.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-124146179.8770000109.2I186 M187 S222 L226 G252 R253I186-V248 HydrophobicContact CG2-CG1 4.3Å; I186-V248 VanDerWaalsContact CG2-O 3.26Å; I186-V248 WeakPolarHBondContact CG2-O 3.13Å; M187-V248 HydrophobicContact CB-CG1 4.41Å; S222-V248 WeakPolarHBondContact OG-CG1 3.35Å; S222-V248 PolarHBondContact OG-N 3.47Å; L226-V248 HydrophobicContact CD2-CG1 4.32Å; L226-V248 HydrophobicContact CD2-CG2 4.24Å; V248-G252 VanDerWaalsContact CG2-C 3.46Å; V248-G252 WeakPolarHBondContact CG2-O 3.4Å; V248-R253 WeakPolarHBondContact CA-O 3.06Å
249D97.7Very high97.7Very high16 Ų1634.3 Ų34.39%0.08619%0.189CC..  trans-94.6178167.778.19.2000113F251 G252 R253D249-F251 PolarHBondContact O-N 2.92Å; D249-F251 WeakPolarHBondContact OD1-CA 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.29Å; D249-F251 PolarHBondContact OD1-N 3.2Å; D249-G252 PolarHBondContact O-N 3.06Å; D249-G252 VanDerWaalsContact O-N 3.1Å; D249-G252 PolarHBondContact OD1-N 3.29Å; D249-R253 PolarHBondContact N-O 3.17Å; D249-R253 VanDerWaalsContact N-O 3.17Å; D249-R253 PolarHBondContact OD1-N 2.86Å; D249-R253 IonicContact OD1-NE 2.7Å; D249-R253 IonicContact OD2-CZ 3.66Å; D249-R253 IonicContact OD2-NE 3.93Å; D249-R253 PolarHBondContact OD2-NE 2.97Å; D249-R253 IonicContact OD2-NH2 3.96Å; D249-R253 PolarHBondContact OD2-NH2 3.09Å
250Q96.8Very high97.7Very high115 Ų11533.1 Ų33.154%0.53718%0.183SC..THydrogen-bonded Turntrans-65.1-7.8-177.8-70.7-175.771.700113.7I186 A189I186-Q250 HydrophobicContact CB-CG 4.35Å; I186-Q250 HydrophobicContact CG1-CG 4.2Å; I186-Q250 HydrophobicContact CG2-CG 3.9Å; A189-Q250 HydrophobicContact CB-CG 4.32Å
251F96.9Very high97.6Very high151 Ų15133.4 Ų33.466%0.66218%0.184SC*.THydrogen-bonded Turntrans-110.35.6179.8-51.6-72.2000112.7D249D249-F251 PolarHBondContact O-N 2.92Å; D249-F251 WeakPolarHBondContact OD1-CA 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.29Å; D249-F251 PolarHBondContact OD1-N 3.2Å
252G97.4Very high97.5Very high0 Ų035.2 Ų35.20%019%0.192CC..  trans91.8-3.417800000114.9F190 V248 D249 D314 V315F190-G252 VanDerWaalsContact CD2-N 3.34Å; V248-G252 VanDerWaalsContact CG2-C 3.46Å; V248-G252 WeakPolarHBondContact CG2-O 3.4Å; D249-G252 PolarHBondContact O-N 3.06Å; D249-G252 VanDerWaalsContact O-N 3.1Å; D249-G252 PolarHBondContact OD1-N 3.29Å; G252-D314 WeakPolarHBondContact O-CA 3.26Å; G252-D314 VanDerWaalsContact O-CG 3.28Å; G252-D314 VanDerWaalsContact O-OD2 3.13Å; G252-V315 PolarHBondContact O-N 2.99Å
253R98.5Very high97.5Very high134 Ų13435.2 Ų35.251%0.50619%0.192SC..BIsolated β-bridgetrans-73.3136.1-173-62.3178.8-65.4-172.70.1111.8V248 D249 D314V248-R253 WeakPolarHBondContact CA-O 3.06Å; D249-R253 PolarHBondContact N-O 3.17Å; D249-R253 VanDerWaalsContact N-O 3.17Å; D249-R253 PolarHBondContact OD1-N 2.86Å; D249-R253 IonicContact OD1-NE 2.7Å; D249-R253 IonicContact OD2-CZ 3.66Å; D249-R253 IonicContact OD2-NE 3.93Å; D249-R253 PolarHBondContact OD2-NE 2.97Å; D249-R253 IonicContact OD2-NH2 3.96Å; D249-R253 PolarHBondContact OD2-NH2 3.09Å; R253-D314 PolarHBondContact N-OD2 3.28Å
254A98.5Very high97.5Very high18 Ų1835.2 Ų35.215%0.14919%0.192CC..EExtended strand (participates in β ladder)trans-67.3130.7174.700000111.6M223 P285 V312 D313M223-A254 VanDerWaalsContact CE-CA 3.4Å; M223-A254 HydrophobicContact CE-CB 3.29Å; A254-P285 HydrophobicContact CB-CB 4.11Å; A254-V312 HydrophobicContact CB-CG2 4.45Å; A254-V312 WeakPolarHBondContact CB-O 3.17Å; A254-D313 WeakPolarHBondContact CB-O 3.23Å; A254-D313 PolarHBondContact N-O 2.85Å
255Q98.5Very high97.4Very high68 Ų6836.2 Ų36.232%0.31820%0.197SC..EExtended strand (participates in β ladder)trans-118.7144.6179.3-73.5-173.9-5.700111.6S247 P285S247-Q255 PolarHBondContact N-O 2.78Å; S247-Q255 PolarHBondContact O-N 2.9Å; S247-Q255 WeakPolarHBondContact OG-CB 3.29Å; S247-Q255 PolarHBondContact OG-OE1 2.77Å; Q255-P285 WeakPolarHBondContact O-CG 3.27Å
256P97.5Very high97.4Very high73 Ų7336.6 Ų36.647%0.47420%0.201SC..  trans-69.4152.2-173.228.9-35.2000112.9A287 N288P256-A287 HydrophobicContact CB-CB 4.03Å; P256-A287 HydrophobicContact CG-CB 4.23Å; P256-N288 WeakPolarHBondContact CA-OD1 3.22Å; P256-N288 WeakPolarHBondContact CB-OD1 3.43Å
257V96.8Very high97.4Very high14 Ų1436.6 Ų36.69%0.08520%0.201CC..  trans-123.7155.5-179.5-57.70000111.5T245 L260 K263 N288T245-V257 HydrophobicContact CG2-CG2 3.87Å; V257-L260 HydrophobicContact CG2-CD1 4.21Å; V257-K263 HydrophobicContact CG2-CD 4.39Å; V257-N288 PolarHBondContact N-OD1 3.18Å; V257-N288 PolarHBondContact O-ND2 2.94Å
258G94.8Very high97.5Very high58 Ų5836.9 Ų36.960%0.59820%0.201SC*.SBendtrans-80.3163.7170.600000113.1L260G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 3.25Å
259G95.3Very high97.5Very high30 Ų3037.6 Ų37.631%0.30921%0.207SC..  trans59.335175.200000114V139 N261 E262 K263V139-G259 WeakPolarHBondContact CG2-O 3.28Å; G259-N261 VanDerWaalsContact C-N 3.33Å; G259-N261 PolarHBondContact O-N 2.9Å; G259-E262 VanDerWaalsContact C-OE2 3.23Å; G259-E262 VanDerWaalsContact CA-OE2 3.29Å; G259-E262 WeakPolarHBondContact CA-OE2 3.36Å; G259-E262 PolarHBondContact O-N 3.3Å; G259-K263 VanDerWaalsContact O-CG 3.29Å; G259-K263 WeakPolarHBondContact O-CG 3.44Å; G259-K263 PolarHBondContact O-N 3.41Å
260L97.4Very high97.5Very high4 Ų436.9 Ų36.92%0.02120%0.204CC..Hα-helixtrans-59.6-42.5-172.8-177.176.8000112.4T245 V257 G258 K263 I264 I284 N288 H291 L292T245-L260 HydrophobicContact CG2-CD1 4.19Å; V257-L260 HydrophobicContact CG2-CD1 4.21Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 3.25Å; L260-K263 PolarHBondContact O-N 3.19Å; L260-I264 HydrophobicContact CD1-CD1 4.23Å; L260-I264 HydrophobicContact CD2-CD1 4.41Å; L260-I264 HydrophobicContact CG-CD1 3.88Å; L260-I264 VanDerWaalsContact O-CG1 3.26Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3Å; L260-I264 VanDerWaalsContact O-N 3.1Å; L260-I284 HydrophobicContact CD1-CB 4.12Å; L260-I284 HydrophobicContact CD1-CG2 3.83Å; L260-I284 HydrophobicContact CD2-CD1 4.34Å; L260-N288 HydrophobicContact CD1-CB 3.91Å; L260-N288 HydrophobicContact CD2-CB 3.62Å; L260-N288 VanDerWaalsContact CD2-O 3.22Å; L260-N288 WeakPolarHBondContact CD2-O 3.27Å; L260-N288 HydrophobicContact CG-CB 4.34Å; L260-H291 HydrophobicContact CD2-CB 4.03Å; L260-L292 HydrophobicContact CD2-CD2 3.54Å; L260-L292 HydrophobicContact CD2-CG 4.04Å; L260-L292 HydrophobicContact CG-CD2 4.28Å
261N97.4Very high97.5Very high5 Ų531.5 Ų31.53%0.02718%0.178CC..Hα-helixtrans-65.9-46.8-176.5-64.8-56.9000110.5G259 K263 I264 E265 H291 L292 S293 L294G259-N261 VanDerWaalsContact C-N 3.33Å; G259-N261 PolarHBondContact O-N 2.9Å; N261-K263 VanDerWaalsContact C-N 3.34Å; N261-K263 PolarHBondContact O-N 3.14Å; N261-I264 PolarHBondContact O-N 2.87Å; N261-E265 VanDerWaalsContact O-CB 3.31Å; N261-E265 WeakPolarHBondContact O-CB 3.47Å; N261-E265 VanDerWaalsContact O-CG 3.25Å; N261-E265 WeakPolarHBondContact O-CG 3.46Å; N261-E265 PolarHBondContact O-N 3.24Å; N261-H291 PolarHBondContact ND2-O 3.15Å; N261-H291 PolarHBondContact OD1-O 3.47Å; N261-L292 WeakPolarHBondContact OD1-CA 3.38Å; N261-S293 PolarHBondContact OD1-N 3.15Å; N261-L294 HydrophobicContact CB-CD2 4.16Å; N261-L294 WeakPolarHBondContact OD1-CD2 3.22Å
262E97.2Very high97.6Very high43 Ų4327.5 Ų27.520%0.20116%0.162CC..Hα-helixtrans-57.5-48.3177.1-6670.2-15500110.4V139 A148 G150 G259 I264 E265 G266V139-E262 HydrophobicContact CG2-CB 4.16Å; A148-E262 HydrophobicContact CB-CG 4.42Å; G150-E262 WeakPolarHBondContact CA-O 3.32Å; G150-E262 PolarHBondContact N-O 3.01Å; G259-E262 VanDerWaalsContact C-OE2 3.23Å; G259-E262 VanDerWaalsContact CA-OE2 3.29Å; G259-E262 WeakPolarHBondContact CA-OE2 3.36Å; G259-E262 PolarHBondContact O-N 3.3Å; E262-I264 PolarHBondContact O-N 3.11Å; E262-E265 PolarHBondContact O-N 2.98Å; E262-G266 PolarHBondContact O-N 3.29Å
263K97.8Very high97.6Very high6 Ų633.3 Ų33.33%0.02619%0.189CC..Hα-helixtrans-54.3-52.6177.3-77.4177.1174.6-168.50112.8L137 V139 S220 T245 V257 G259 L260 N261 F267L137-K263 HydrophobicContact CB-CB 3.75Å; L137-K263 HydrophobicContact CB-CD 4.12Å; L137-K263 HydrophobicContact CB-CG 3.86Å; L137-K263 HydrophobicContact CD1-CB 4.08Å; L137-K263 WeakPolarHBondContact O-CE 3.38Å; L137-K263 PolarHBondContact O-NZ 3.19Å; V139-K263 HydrophobicContact CG2-CD 4.24Å; V139-K263 HydrophobicContact CG2-CG 3.56Å; S220-K263 VanDerWaalsContact CB-NZ 3.33Å; S220-K263 PolarHBondContact OG-NZ 2.94Å; T245-K263 HydrophobicContact CG2-CD 4.14Å; T245-K263 PolarHBondContact OG1-NZ 3.4Å; V257-K263 HydrophobicContact CG2-CD 4.39Å; G259-K263 VanDerWaalsContact O-CG 3.29Å; G259-K263 WeakPolarHBondContact O-CG 3.44Å; G259-K263 PolarHBondContact O-N 3.41Å; L260-K263 PolarHBondContact O-N 3.19Å; N261-K263 VanDerWaalsContact C-N 3.34Å; N261-K263 PolarHBondContact O-N 3.14Å; K263-F267 PolarHBondContact O-N 3.25Å
264I98.6Very high97.5Very high0 Ų030.8 Ų30.80%018%0.179CC..Hα-helixtrans-66-43.9-177.6-59.4165.1000109.8L260 N261 E262 G266 F267 F268 V282 I284 L292 L294 L298 F307 I309L260-I264 HydrophobicContact CD1-CD1 4.23Å; L260-I264 HydrophobicContact CD2-CD1 4.41Å; L260-I264 HydrophobicContact CG-CD1 3.88Å; L260-I264 VanDerWaalsContact O-CG1 3.26Å; L260-I264 WeakPolarHBondContact O-CG1 3.43Å; L260-I264 PolarHBondContact O-N 3Å; L260-I264 VanDerWaalsContact O-N 3.1Å; N261-I264 PolarHBondContact O-N 2.87Å; E262-I264 PolarHBondContact O-N 3.11Å; I264-G266 PolarHBondContact O-N 3.29Å; I264-F267 PolarHBondContact O-N 3.06Å; I264-F268 VanDerWaalsContact O-CB 3.32Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 2.95Å; I264-V282 HydrophobicContact CG1-CB 4.44Å; I264-V282 HydrophobicContact CG1-CG1 4.12Å; I264-V282 HydrophobicContact CG2-CB 4.38Å; I264-V282 HydrophobicContact CG2-CG2 4.11Å; I264-I284 HydrophobicContact CD1-CG2 4.08Å; I264-I284 HydrophobicContact CG1-CG2 4.28Å; I264-L292 HydrophobicContact CD1-CD2 3.48Å; I264-L292 VanDerWaalsContact CD1-CD2 3.48Å; I264-L294 HydrophobicContact CB-CD2 4.29Å; I264-L294 HydrophobicContact CD1-CD2 4.18Å; I264-L294 HydrophobicContact CG2-CD2 4.46Å; I264-L298 HydrophobicContact CG2-CD1 3.86Å; I264-F307 HydrophobicContact CG2-CE1 4.19Å; I264-I309 HydrophobicContact CD1-CD1 4.49Å; I264-I309 HydrophobicContact CG2-CD1 4.21Å
265E97.9Very high97.4Very high21 Ų2137.6 Ų37.610%0.09821%0.208CC..Hα-helixtrans-67.1-35.5-178.1-73169.5176.900112.9R59 N261 E262 F268 A269 L294 H295 L298R59-E265 IonicContact CZ-OE1 3.9Å; R59-E265 IonicContact CZ-OE2 3.7Å; R59-E265 IonicContact NH1-OE1 3.58Å; R59-E265 PolarHBondContact NH1-OE1 3.33Å; R59-E265 IonicContact NH1-OE2 3.2Å; R59-E265 PolarHBondContact NH1-OE2 2.82Å; R59-E265 IonicContact NH2-OE1 3.08Å; R59-E265 PolarHBondContact NH2-OE1 3.16Å; R59-E265 IonicContact NH2-OE2 2.66Å; R59-E265 PolarHBondContact NH2-OE2 3.32Å; N261-E265 VanDerWaalsContact O-CB 3.31Å; N261-E265 WeakPolarHBondContact O-CB 3.47Å; N261-E265 VanDerWaalsContact O-CG 3.25Å; N261-E265 WeakPolarHBondContact O-CG 3.46Å; N261-E265 PolarHBondContact O-N 3.24Å; E262-E265 PolarHBondContact O-N 2.98Å; E265-F268 PolarHBondContact O-N 3.49Å; E265-A269 WeakPolarHBondContact O-CB 2.99Å; E265-A269 PolarHBondContact O-N 3.47Å; E265-L294 HydrophobicContact CG-CD2 4.29Å; E265-L294 WeakPolarHBondContact OE1-CA 3.5Å; E265-H295 IonicContact OE1-CD2 2.66Å; E265-H295 PolarHBondContact OE1-CD2 3.43Å; E265-H295 VanDerWaalsContact OE1-CD2 3.26Å; E265-H295 IonicContact OE1-CG 3.72Å; E265-H295 PolarHBondContact OE1-N 2.99Å; E265-H295 IonicContact OE1-NE2 3.18Å; E265-H295 IonicContact OE2-CD2 3.89Å; E265-H295 IonicContact OE2-CE1 3.06Å; E265-H295 IonicContact OE2-ND1 3.59Å; E265-H295 IonicContact OE2-NE2 2.72Å; E265-L298 HydrophobicContact CG-CD1 3.77Å
266G97.4Very high97.3Very high8 Ų836 Ų368%0.08220%0.201CC..Hα-helixtrans-59.2-48.2174.600000112.3E262 I264E262-G266 PolarHBondContact O-N 3.29Å; I264-G266 PolarHBondContact O-N 3.29Å
267F98.5Very high97.3Very high0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-69.3-42.5175.8-175-114.2000112.3T126 N135 L137 P152 A243 K263 I264 A269 I270 C271 G281 V282 F307T126-F267 HydrophobicContact CG2-CE2 3.98Å; T126-F267 HydrophobicContact CG2-CZ 4.34Å; N135-F267 HydrophobicContact CB-CE2 4.33Å; L137-F267 HydrophobicContact CD2-CB 3.64Å; L137-F267 HydrophobicContact CD2-CG 4.23Å; P152-F267 HydrophobicContact CB-CD2 3.93Å; A243-F267 HydrophobicContact CB-CB 4.48Å; A243-F267 HydrophobicContact CB-CD1 3.69Å; A243-F267 HydrophobicContact CB-CD2 3.88Å; A243-F267 HydrophobicContact CB-CE1 3.75Å; A243-F267 HydrophobicContact CB-CE2 3.93Å; A243-F267 HydrophobicContact CB-CG 3.76Å; A243-F267 HydrophobicContact CB-CZ 3.87Å; K263-F267 PolarHBondContact O-N 3.25Å; I264-F267 PolarHBondContact O-N 3.06Å; F267-A269 VanDerWaalsContact C-N 3.29Å; F267-A269 PolarHBondContact O-N 3.38Å; F267-I270 PolarHBondContact O-N 3.28Å; F267-C271 VanDerWaalsContact CE1-SG 3.53Å; F267-C271 PolarHBondContact O-N 3.37Å; F267-C271 PolarHBondContact O-SG 3.49Å; F267-G281 WeakPolarHBondContact CE1-O 3.49Å; F267-V282 HydrophobicContact CB-CG2 4.46Å; F267-V282 HydrophobicContact CD1-CG2 3.71Å; F267-V282 HydrophobicContact CE1-CG2 4.48Å; F267-V282 HydrophobicContact CG-CG2 4.49Å; F267-F307 HydrophobicContact CD1-CE2 4.19Å; F267-F307 HydrophobicContact CD1-CZ 4.03Å; F267-F307 HydrophobicContact CE1-CE2 4.39Å
268F98.6Very high97.3Very high10 Ų1037.1 Ų37.14%0.04421%0.213CC..Hα-helixtrans-56.1-42.8176.5173-101.1000112.1I264 E265 I270 C271 Q272 L276 E297 L298 A301 F307I264-F268 VanDerWaalsContact O-CB 3.32Å; I264-F268 WeakPolarHBondContact O-CB 3.32Å; I264-F268 PolarHBondContact O-N 2.95Å; E265-F268 PolarHBondContact O-N 3.49Å; F268-I270 PolarHBondContact O-N 3Å; F268-C271 PolarHBondContact O-N 3.02Å; F268-Q272 HydrophobicContact CE1-CB 4.33Å; F268-Q272 HydrophobicContact CE1-CG 4.46Å; F268-Q272 HydrophobicContact CZ-CB 4.33Å; F268-Q272 HydrophobicContact CZ-CG 4.33Å; F268-Q272 VanDerWaalsContact O-CB 3.29Å; F268-Q272 WeakPolarHBondContact O-CB 3.31Å; F268-Q272 PolarHBondContact O-N 3.17Å; F268-L276 HydrophobicContact CE2-CD1 3.73Å; F268-L276 HydrophobicContact CE2-CD2 4.36Å; F268-L276 HydrophobicContact CZ-CD1 4.23Å; F268-E297 HydrophobicContact CE1-CB 4.47Å; F268-L298 HydrophobicContact CB-CD1 3.73Å; F268-L298 HydrophobicContact CB-CG 4.17Å; F268-L298 HydrophobicContact CD1-CB 3.94Å; F268-L298 HydrophobicContact CD1-CD1 4.03Å; F268-L298 HydrophobicContact CD1-CG 3.93Å; F268-L298 HydrophobicContact CD2-CB 4.43Å; F268-L298 HydrophobicContact CD2-CD1 4.33Å; F268-L298 HydrophobicContact CD2-CG 3.8Å; F268-L298 HydrophobicContact CE1-CB 3.91Å; F268-L298 HydrophobicContact CE1-CG 4.28Å; F268-L298 HydrophobicContact CE2-CB 4.39Å; F268-L298 HydrophobicContact CE2-CG 4.15Å; F268-L298 HydrophobicContact CG-CB 4.2Å; F268-L298 HydrophobicContact CG-CD1 3.76Å; F268-L298 HydrophobicContact CG-CG 3.68Å; F268-L298 HydrophobicContact CZ-CB 4.14Å; F268-L298 HydrophobicContact CZ-CG 4.38Å; F268-A301 HydrophobicContact CE2-CB 3.54Å; F268-A301 HydrophobicContact CZ-CB 3.85Å; F268-F307 HydrophobicContact CB-CE1 4.47Å; F268-F307 HydrophobicContact CB-CE2 4.3Å; F268-F307 HydrophobicContact CB-CZ 4.04Å; F268-F307 HydrophobicContact CD2-CB 4.27Å; F268-F307 HydrophobicContact CD2-CD1 4.16Å; F268-F307 AromaticContact CD2-CD2 3.79Å; F268-F307 HydrophobicContact CD2-CD2 3.79Å; F268-F307 HydrophobicContact CD2-CE1 4.37Å; F268-F307 HydrophobicContact CD2-CE2 4.02Å; F268-F307 AromaticContact CD2-CG 3.83Å; F268-F307 HydrophobicContact CD2-CG 3.83Å; F268-F307 HydrophobicContact CD2-CZ 4.27Å; F268-F307 HydrophobicContact CE2-CB 4.27Å; F268-F307 HydrophobicContact CE2-CD2 4.45Å; F268-F307 HydrophobicContact CE2-CG 4.32Å
269A97.6Very high97.5Very high16 Ų1641 Ų4113%0.13221%0.214CC..Hα-helixtrans-59.5-45.117900000111.9E265 F267 Q272 Q273E265-A269 WeakPolarHBondContact O-CB 2.99Å; E265-A269 PolarHBondContact O-N 3.47Å; F267-A269 VanDerWaalsContact C-N 3.29Å; F267-A269 PolarHBondContact O-N 3.38Å; A269-Q272 PolarHBondContact O-N 2.93Å; A269-Q273 VanDerWaalsContact O-CG 3.26Å; A269-Q273 WeakPolarHBondContact O-CG 3.37Å; A269-Q273 PolarHBondContact O-N 3.31Å
270I97.8Very high97.6Very high1 Ų139.9 Ų39.91%0.00520%0.2CC..Hα-helixtrans-62.6-45.8175.6-57.3-57.7000110.9Q114 I117 T126 P152 F267 F268 Q272 Q273 R274Q114-I270 HydrophobicContact CB-CD1 3.85Å; Q114-I270 HydrophobicContact CG-CD1 3.74Å; I117-I270 HydrophobicContact CB-CD1 3.93Å; I117-I270 HydrophobicContact CD1-CD1 3.88Å; I117-I270 HydrophobicContact CD1-CG1 4.13Å; I117-I270 HydrophobicContact CG2-CD1 3.92Å; I117-I270 HydrophobicContact CG2-CG1 4.21Å; I117-I270 HydrophobicContact CG2-CG2 3.75Å; T126-I270 HydrophobicContact CG2-CG2 3.94Å; P152-I270 HydrophobicContact CG-CG1 4.21Å; F267-I270 PolarHBondContact O-N 3.28Å; F268-I270 PolarHBondContact O-N 3Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 3.5Å; I270-Q273 PolarHBondContact O-N 3.08Å; I270-R274 WeakPolarHBondContact O-CG 3.4Å; I270-R274 PolarHBondContact O-N 3.48Å; I270-R274 VanDerWaalsContact O-N 3.11Å
271C98.2Very high97.7Very high1 Ų139.7 Ų39.71%0.00720%0.199CC..Hα-helixtrans-62.4-39.1177.8-63.90000112.4F267 F268 R274 E275 L276 Q280 F307F267-C271 VanDerWaalsContact CE1-SG 3.53Å; F267-C271 PolarHBondContact O-N 3.37Å; F267-C271 PolarHBondContact O-SG 3.49Å; F268-C271 PolarHBondContact O-N 3.02Å; C271-R274 CarbonylContact O-C 3.57Å; C271-R274 PolarHBondContact O-N 3.45Å; C271-E275 CarbonylContact O-C 3.59Å; C271-E275 PolarHBondContact O-N 3.46Å; C271-L276 HydrophobicContact CB-CD2 3.68Å; C271-Q280 HydrophobicContact CB-CB 4.14Å; C271-Q280 HydrophobicContact CB-CG 3.98Å; C271-F307 HydrophobicContact CB-CE2 4.31Å
272Q97.7Very high97.8Very high68 Ų6839.4 Ų39.432%0.31820%0.198SC..Hα-helixtrans-65.3-44.9179.3-169.9-16850.300111.1F268 A269 I270 R274 E275 E297F268-Q272 HydrophobicContact CE1-CB 4.33Å; F268-Q272 HydrophobicContact CE1-CG 4.46Å; F268-Q272 HydrophobicContact CZ-CB 4.33Å; F268-Q272 HydrophobicContact CZ-CG 4.33Å; F268-Q272 VanDerWaalsContact O-CB 3.29Å; F268-Q272 WeakPolarHBondContact O-CB 3.31Å; F268-Q272 PolarHBondContact O-N 3.17Å; A269-Q272 PolarHBondContact O-N 2.93Å; I270-Q272 VanDerWaalsContact C-N 3.32Å; I270-Q272 PolarHBondContact O-N 3.5Å; Q272-R274 PolarHBondContact O-N 3.15Å; Q272-E275 PolarHBondContact O-N 3.48Å; Q272-E275 VanDerWaalsContact O-N 3.16Å; Q272-E297 PolarHBondContact NE2-OE2 3.39Å; Q272-E297 VanDerWaalsContact NE2-OE2 3.08Å
273Q96.9Very high97.8Very high122 Ų12237.4 Ų37.457%0.5719%0.188SC*.Hα-helixtrans-65.6-27.3177.3-67.8-67.5-1900112.7L118 A269 I270L118-Q273 HydrophobicContact CD1-CB 3.84Å; L118-Q273 HydrophobicContact CD1-CG 4.02Å; L118-Q273 HydrophobicContact CD2-CB 3.78Å; L118-Q273 HydrophobicContact CG-CB 4.46Å; A269-Q273 VanDerWaalsContact O-CG 3.26Å; A269-Q273 WeakPolarHBondContact O-CG 3.37Å; A269-Q273 PolarHBondContact O-N 3.31Å; I270-Q273 PolarHBondContact O-N 3.08Å
274R96.5Very high97.9Very high81 Ų8137.1 Ų37.131%0.30619%0.187SC..THydrogen-bonded Turntrans-91.611.4175.1-69.2-178.9176.4173.21.7114.8I117 L118 I124 T126 I270 C271 Q272I117-R274 PolarHBondContact O-NH2 3.06Å; L118-R274 HydrophobicContact CD2-CG 3.87Å; I124-R274 VanDerWaalsContact O-CZ 3.27Å; I124-R274 PolarHBondContact O-NH1 3.49Å; I124-R274 PolarHBondContact O-NH2 3.48Å; T126-R274 WeakPolarHBondContact OG1-CD 3.21Å; T126-R274 PolarHBondContact OG1-NH1 2.88Å; I270-R274 WeakPolarHBondContact O-CG 3.4Å; I270-R274 PolarHBondContact O-N 3.48Å; I270-R274 VanDerWaalsContact O-N 3.11Å; C271-R274 CarbonylContact O-C 3.57Å; C271-R274 PolarHBondContact O-N 3.45Å; Q272-R274 PolarHBondContact O-N 3.15Å
275E96.1Very high97.9Very high160 Ų16037.1 Ų37.175%0.74819%0.187SC*.  trans69.9119.1-174-167.8177.8-175.900113.9C271 Q272C271-E275 CarbonylContact O-C 3.59Å; C271-E275 PolarHBondContact O-N 3.46Å; Q272-E275 PolarHBondContact O-N 3.48Å; Q272-E275 VanDerWaalsContact O-N 3.16Å
276L97.7Very high97.9Very high34 Ų3438.5 Ų38.518%0.17820%0.197CC..  trans-74.7129.4177.6-63.3172.3000111.3F268 C271 Q280 A301 K306 F307F268-L276 HydrophobicContact CE2-CD1 3.73Å; F268-L276 HydrophobicContact CE2-CD2 4.36Å; F268-L276 HydrophobicContact CZ-CD1 4.23Å; C271-L276 HydrophobicContact CB-CD2 3.68Å; L276-Q280 HydrophobicContact CD2-CB 4.5Å; L276-A301 HydrophobicContact CD1-CB 3.88Å; L276-K306 HydrophobicContact CB-CB 3.99Å; L276-K306 HydrophobicContact CD1-CB 4.01Å; L276-F307 HydrophobicContact CD2-CD2 4.09Å
277T96.7Very high97.9Very high83 Ų8340.3 Ų40.351%0.50921%0.211SC..  trans-106-5.6-17869.10000114K279 Q280T277-K279 VanDerWaalsContact C-N 3.27Å; T277-K279 WeakPolarHBondContact OG1-CB 3.44Å; T277-K279 PolarHBondContact OG1-N 3.3Å; T277-Q280 PolarHBondContact OG1-NE2 3.15Å; T277-Q280 PolarHBondContact OG1-OE1 2.79Å
278G97.4Very high97.9Very high29 Ų2940.3 Ų40.330%0.29921%0.211SC..SBendtrans84.6-5.8-169.400000114.5G305 K306G278-G305 WeakPolarHBondContact CA-O 3.43Å; G278-K306 VanDerWaalsContact CA-O 3.3Å; G278-K306 WeakPolarHBondContact CA-O 3.35Å; G278-K306 PolarHBondContact N-O 3.47Å
279K98Very high97.9Very high140 Ų14042.8 Ų42.861%0.60923%0.227SC*.  trans-92.2-19.4175.4-61.1-178.2179.71800113.3S241 T277S241-K279 WeakPolarHBondContact CB-O 3.38Å; T277-K279 VanDerWaalsContact C-N 3.27Å; T277-K279 WeakPolarHBondContact OG1-CB 3.44Å; T277-K279 PolarHBondContact OG1-N 3.3Å
280Q98.7Very high97.9Very high5 Ų549.6 Ų49.62%0.02325%0.249CC..EExtended strand (participates in β ladder)trans-76145.1-176.5-69.276.719.600111.5T126 S241 C271 L276 T277 F307 T308T126-Q280 PolarHBondContact O-NE2 3.09Å; S241-Q280 VanDerWaalsContact O-CA 3.24Å; S241-Q280 WeakPolarHBondContact O-CA 3.35Å; C271-Q280 HydrophobicContact CB-CB 4.14Å; C271-Q280 HydrophobicContact CB-CG 3.98Å; L276-Q280 HydrophobicContact CD2-CB 4.5Å; T277-Q280 PolarHBondContact OG1-NE2 3.15Å; T277-Q280 PolarHBondContact OG1-OE1 2.79Å; Q280-F307 HydrophobicContact CB-CD2 3.75Å; Q280-F307 HydrophobicContact CB-CE2 3.93Å; Q280-F307 CarbonylContact O-C 3.54Å; Q280-F307 VanDerWaalsContact O-CA 3.31Å; Q280-F307 WeakPolarHBondContact O-CA 3.5Å; Q280-T308 PolarHBondContact O-N 3.03Å
281G98.7Very high97.8Very high0 Ų051.5 Ų51.50%026%0.258CS..EExtended strand (participates in β ladder)trans-179.9178.8176.900000114.4S241 I242 A243 F267 T308S241-G281 PolarHBondContact O-N 3.47Å; I242-G281 WeakPolarHBondContact CA-O 2.86Å; A243-G281 PolarHBondContact N-O 3.34Å; F267-G281 WeakPolarHBondContact CE1-O 3.49Å; G281-T308 CarbonylContact C-O 3.47Å; G281-T308 WeakPolarHBondContact CA-O 3.17Å
282V98.9Very high97.8Very high0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-128.3134.4-179.5-179.30000110.8L137 A243 I264 F267 I284 F307 T308 I309 W310L137-V282 HydrophobicContact CD1-CB 4.47Å; L137-V282 HydrophobicContact CD1-CG1 3.45Å; L137-V282 VanDerWaalsContact CD1-CG1 3.45Å; L137-V282 HydrophobicContact CD1-CG2 4.1Å; A243-V282 HydrophobicContact CB-CG2 4.41Å; A243-V282 CarbonylContact O-C 3.54Å; A243-V282 VanDerWaalsContact O-CA 3.27Å; A243-V282 WeakPolarHBondContact O-CA 3.5Å; I264-V282 HydrophobicContact CG1-CB 4.44Å; I264-V282 HydrophobicContact CG1-CG1 4.12Å; I264-V282 HydrophobicContact CG2-CB 4.38Å; I264-V282 HydrophobicContact CG2-CG2 4.11Å; F267-V282 HydrophobicContact CB-CG2 4.46Å; F267-V282 HydrophobicContact CD1-CG2 3.71Å; F267-V282 HydrophobicContact CE1-CG2 4.48Å; F267-V282 HydrophobicContact CG-CG2 4.49Å; V282-I284 HydrophobicContact CG1-CG2 3.75Å; V282-F307 HydrophobicContact CG2-CE1 4.1Å; V282-F307 HydrophobicContact CG2-CZ 3.78Å; V282-T308 PolarHBondContact N-O 3.42Å; V282-I309 CarbonylContact O-C 3.57Å; V282-I309 WeakPolarHBondContact O-CA 3.2Å; V282-W310 PolarHBondContact O-N 2.87Å
283I98.9Very high97.7Very high0 Ų050.5 Ų50.50%026%0.256CS..EExtended strand (participates in β ladder)trans-91.5130.3168.8-59.6167.9000108.9I242 A243 I244 T245 W310 V312 A318 L321 L322I242-I283 HydrophobicContact CG2-CD1 3.76Å; I242-I283 HydrophobicContact CG2-CG1 3.83Å; A243-I283 PolarHBondContact O-N 3.32Å; I244-I283 WeakPolarHBondContact CA-O 3.36Å; I244-I283 HydrophobicContact CB-CB 4.03Å; I244-I283 HydrophobicContact CD1-CB 3.92Å; I244-I283 HydrophobicContact CD1-CD1 4.16Å; I244-I283 HydrophobicContact CD1-CG2 3.71Å; I244-I283 HydrophobicContact CG1-CB 3.79Å; I244-I283 HydrophobicContact CG1-CG2 3.92Å; T245-I283 PolarHBondContact N-O 2.73Å; T245-I283 VanDerWaalsContact N-O 3.09Å; I283-W310 CarbonylContact C-O 3.48Å; I283-W310 WeakPolarHBondContact CA-O 3.29Å; I283-W310 HydrophobicContact CG1-CB 4.24Å; I283-W310 HydrophobicContact CG1-CE3 4Å; I283-V312 HydrophobicContact CG2-CB 4.27Å; I283-V312 HydrophobicContact CG2-CG1 3.71Å; I283-V312 HydrophobicContact CG2-CG2 3.5Å; I283-A318 HydrophobicContact CD1-CB 4.28Å; I283-A318 HydrophobicContact CG2-CB 4.18Å; I283-L321 HydrophobicContact CD1-CB 3.87Å; I283-L321 HydrophobicContact CD1-CD1 3.9Å; I283-L321 HydrophobicContact CG1-CD1 3.95Å; I283-L322 HydrophobicContact CD1-CD1 4Å; I283-L322 HydrophobicContact CD1-CD2 3.95Å; I283-L322 HydrophobicContact CD1-CG 3.68Å
284I98.8Very high97.7Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-132.8157-179.467.4170.5000111.2T245 L260 I264 V282 V289 L292 I309 W310 A311 V312T245-I284 HydrophobicContact CG2-CG2 4.31Å; L260-I284 HydrophobicContact CD1-CB 4.12Å; L260-I284 HydrophobicContact CD1-CG2 3.83Å; L260-I284 HydrophobicContact CD2-CD1 4.34Å; I264-I284 HydrophobicContact CD1-CG2 4.08Å; I264-I284 HydrophobicContact CG1-CG2 4.28Å; V282-I284 HydrophobicContact CG1-CG2 3.75Å; I284-V289 HydrophobicContact CD1-CG2 4.44Å; I284-L292 HydrophobicContact CD1-CD1 4.12Å; I284-L292 HydrophobicContact CD1-CD2 4.12Å; I284-L292 HydrophobicContact CD1-CG 4.38Å; I284-I309 HydrophobicContact CD1-CG2 3.73Å; I284-I309 HydrophobicContact CG1-CG2 3.97Å; I284-I309 HydrophobicContact CG2-CG2 4.44Å; I284-W310 PolarHBondContact N-O 3.18Å; I284-A311 CarbonylContact O-C 3.58Å; I284-A311 WeakPolarHBondContact O-CA 3.48Å; I284-V312 WeakPolarHBondContact O-CG2 3.13Å; I284-V312 PolarHBondContact O-N 3.26Å
285P98.7Very high97.5Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-63.9140.9171.3-20.534.4000111.3T245 A254 Q255 A287 N288 V312T245-P285 WeakPolarHBondContact O-CD 3.34Å; A254-P285 HydrophobicContact CB-CB 4.11Å; Q255-P285 WeakPolarHBondContact O-CG 3.27Å; P285-A287 PolarHBondContact O-N 3.36Å; P285-N288 HydrophobicContact CB-CB 4.45Å; P285-N288 VanDerWaalsContact O-CB 3.27Å; P285-N288 WeakPolarHBondContact O-CB 3.34Å; P285-N288 PolarHBondContact O-N 2.9Å; P285-V312 CarbonylContact C-O 3.58Å; P285-V312 WeakPolarHBondContact CA-O 3.45Å
286T98.7Very high97.4Very high51 Ų5140.9 Ų40.931%0.31322%0.224SC..G310 helixtrans-57.1-36.8175.7-570000112.5N288 V289 V312 D313T286-N288 PolarHBondContact O-N 3.19Å; T286-N288 VanDerWaalsContact O-N 3.11Å; T286-V289 WeakPolarHBondContact O-CB 3.47Å; T286-V289 VanDerWaalsContact O-CG2 3.29Å; T286-V289 WeakPolarHBondContact O-CG2 3.46Å; T286-V289 PolarHBondContact O-N 3.28Å; T286-V312 PolarHBondContact N-O 3.04Å; T286-V312 VanDerWaalsContact OG1-C 3.26Å; T286-V312 PolarHBondContact OG1-O 3.17Å; T286-D313 WeakPolarHBondContact CB-OD1 3.5Å; T286-D313 PolarHBondContact OG1-OD1 2.86Å
287A97.8Very high97.4Very high46 Ų4644.9 Ų44.938%0.3824%0.242SC..G310 helixtrans-58.3-25.6176.200000112.9P256 P285P256-A287 HydrophobicContact CB-CB 4.03Å; P256-A287 HydrophobicContact CG-CB 4.23Å; P285-A287 PolarHBondContact O-N 3.36Å
288N98.1Very high97.4Very high0 Ų041 Ų410%022%0.218CC..G310 helixtrans-80.4-12.1178.9-93.8113.7000114.6P256 V257 L260 P285 T286 R290 H291P256-N288 WeakPolarHBondContact CA-OD1 3.22Å; P256-N288 WeakPolarHBondContact CB-OD1 3.43Å; V257-N288 PolarHBondContact N-OD1 3.18Å; V257-N288 PolarHBondContact O-ND2 2.94Å; L260-N288 HydrophobicContact CD1-CB 3.91Å; L260-N288 HydrophobicContact CD2-CB 3.62Å; L260-N288 VanDerWaalsContact CD2-O 3.22Å; L260-N288 WeakPolarHBondContact CD2-O 3.27Å; L260-N288 HydrophobicContact CG-CB 4.34Å; P285-N288 HydrophobicContact CB-CB 4.45Å; P285-N288 VanDerWaalsContact O-CB 3.27Å; P285-N288 WeakPolarHBondContact O-CB 3.34Å; P285-N288 PolarHBondContact O-N 2.9Å; T286-N288 PolarHBondContact O-N 3.19Å; T286-N288 VanDerWaalsContact O-N 3.11Å; N288-R290 PolarHBondContact O-N 3.18Å; N288-R290 VanDerWaalsContact O-N 3.15Å; N288-H291 WeakPolarHBondContact CA-ND1 3.38Å; N288-H291 PolarHBondContact ND2-ND1 3.43Å; N288-H291 WeakPolarHBondContact O-CA 3.49Å; N288-H291 WeakPolarHBondContact O-CB 3.29Å; N288-H291 PolarHBondContact O-N 3.22Å
289V98.2Very high97.4Very high61 Ų6142.5 Ų42.537%0.3722%0.221SC..G310 helixtrans-55.9-36.3-177.3171.70000112.1Q64 I284 T286 H291 L292 A311Q64-V289 PolarHBondContact NE2-O 3.47Å; I284-V289 HydrophobicContact CD1-CG2 4.44Å; T286-V289 WeakPolarHBondContact O-CB 3.47Å; T286-V289 VanDerWaalsContact O-CG2 3.29Å; T286-V289 WeakPolarHBondContact O-CG2 3.46Å; T286-V289 PolarHBondContact O-N 3.28Å; V289-H291 PolarHBondContact O-N 2.92Å; V289-L292 WeakPolarHBondContact O-CB 3.44Å; V289-L292 WeakPolarHBondContact O-CG 3.32Å; V289-L292 PolarHBondContact O-N 3.22Å; V289-A311 HydrophobicContact CG2-CB 3.77Å
290R96.5Very high97.4Very high159 Ų15941.4 Ų41.460%0.622%0.216SC*.G310 helixtrans-66.4-16.4176.971.8179.265-169.2-2.5114.4Q64 N288Q64-R290 VanDerWaalsContact CG-O 3.31Å; Q64-R290 WeakPolarHBondContact CG-O 3.38Å; Q64-R290 PolarHBondContact N-O 3.27Å; N288-R290 PolarHBondContact O-N 3.18Å; N288-R290 VanDerWaalsContact O-N 3.15Å
291H97.4Very high97.4Very high42 Ų4241.3 Ų41.319%0.19422%0.217CC..G310 helixtrans-92.1-5.9-178.9-51.7128.7000112.8G62 L260 N261 N288 V289 S293G62-H291 WeakPolarHBondContact O-CA 3.31Å; G62-H291 WeakPolarHBondContact O-CB 3.24Å; G62-H291 PolarHBondContact O-CD2 3.41Å; L260-H291 HydrophobicContact CD2-CB 4.03Å; N261-H291 PolarHBondContact ND2-O 3.15Å; N261-H291 PolarHBondContact OD1-O 3.47Å; N288-H291 WeakPolarHBondContact CA-ND1 3.38Å; N288-H291 PolarHBondContact ND2-ND1 3.43Å; N288-H291 WeakPolarHBondContact O-CA 3.49Å; N288-H291 WeakPolarHBondContact O-CB 3.29Å; N288-H291 PolarHBondContact O-N 3.22Å; V289-H291 PolarHBondContact O-N 2.92Å; H291-S293 PolarHBondContact O-N 2.96Å
292L97.4Very high97.4Very high35 Ų3544 Ų4418%0.18323%0.233CC..  trans-69.6119.8-177-67.1173.4000111.5Q64 L260 N261 I264 I284 V289 L294Q64-L292 VanDerWaalsContact CG-O 3.31Å; Q64-L292 WeakPolarHBondContact CG-O 3.2Å; Q64-L292 PolarHBondContact NE2-O 3.13Å; L260-L292 HydrophobicContact CD2-CD2 3.54Å; L260-L292 HydrophobicContact CD2-CG 4.04Å; L260-L292 HydrophobicContact CG-CD2 4.28Å; N261-L292 WeakPolarHBondContact OD1-CA 3.38Å; I264-L292 HydrophobicContact CD1-CD2 3.48Å; I264-L292 VanDerWaalsContact CD1-CD2 3.48Å; I284-L292 HydrophobicContact CD1-CD1 4.12Å; I284-L292 HydrophobicContact CD1-CD2 4.12Å; I284-L292 HydrophobicContact CD1-CG 4.38Å; V289-L292 WeakPolarHBondContact O-CB 3.44Å; V289-L292 WeakPolarHBondContact O-CG 3.32Å; V289-L292 PolarHBondContact O-N 3.22Å; L292-L294 HydrophobicContact CD2-CD1 4.17Å; L292-L294 HydrophobicContact CD2-CD2 4.33Å; L292-L294 HydrophobicContact CD2-CG 4.32Å
293S95.7Very high97.4Very high13 Ų1351.4 Ų51.49%0.09127%0.268CS..  trans-146.478.3169.3-170.60000108.2R55 R59 N261 H291R55-S293 PolarHBondContact O-OG 3.23Å; R59-S293 WeakPolarHBondContact CB-OG 3.33Å; R59-S293 PolarHBondContact NH1-O 3.4Å; N261-S293 PolarHBondContact OD1-N 3.15Å; H291-S293 PolarHBondContact O-N 2.96Å
294L95.9Very high97.3Very high19 Ų1956 Ų5610%0.09929%0.289CS..  trans-92.2155.4-168.4-57.5174.1000112.7N261 I264 E265 L292 L298 V299 I309N261-L294 HydrophobicContact CB-CD2 4.16Å; N261-L294 WeakPolarHBondContact OD1-CD2 3.22Å; I264-L294 HydrophobicContact CB-CD2 4.29Å; I264-L294 HydrophobicContact CD1-CD2 4.18Å; I264-L294 HydrophobicContact CG2-CD2 4.46Å; E265-L294 HydrophobicContact CG-CD2 4.29Å; E265-L294 WeakPolarHBondContact OE1-CA 3.5Å; L292-L294 HydrophobicContact CD2-CD1 4.17Å; L292-L294 HydrophobicContact CD2-CD2 4.33Å; L292-L294 HydrophobicContact CD2-CG 4.32Å; L294-L298 HydrophobicContact CB-CD1 4.43Å; L294-L298 HydrophobicContact CB-CD2 4.4Å; L294-L298 HydrophobicContact CD1-CD1 4.22Å; L294-L298 HydrophobicContact CD1-CD2 3.56Å; L294-L298 HydrophobicContact CD1-CG 4.47Å; L294-L298 HydrophobicContact CD2-CD1 4.34Å; L294-V299 HydrophobicContact CB-CG2 4.15Å; L294-I309 HydrophobicContact CD1-CD1 3.43Å; L294-I309 VanDerWaalsContact CD1-CD1 3.43Å
295H94.3Very high97.3Very high57 Ų5758.2 Ų58.226%0.26431%0.312SS..  trans-54.7144.9171.7-71.1179.4000112.4R59 E103 E265 E297 L298 V299R59-H295 PolarHBondContact NH2-NE2 3.49Å; E103-H295 IonicContact OE1-CE1 3.62Å; E103-H295 PolarHBondContact OE1-CE1 3.48Å; E103-H295 IonicContact OE1-ND1 3.85Å; E265-H295 IonicContact OE1-CD2 2.66Å; E265-H295 PolarHBondContact OE1-CD2 3.43Å; E265-H295 VanDerWaalsContact OE1-CD2 3.26Å; E265-H295 IonicContact OE1-CG 3.72Å; E265-H295 PolarHBondContact OE1-N 2.99Å; E265-H295 IonicContact OE1-NE2 3.18Å; E265-H295 IonicContact OE2-CD2 3.89Å; E265-H295 IonicContact OE2-CE1 3.06Å; E265-H295 IonicContact OE2-ND1 3.59Å; E265-H295 IonicContact OE2-NE2 2.72Å; H295-E297 PolarHBondContact O-N 2.85Å; H295-L298 WeakPolarHBondContact O-CB 3.41Å; H295-L298 PolarHBondContact O-N 3.07Å; H295-V299 PolarHBondContact O-N 2.83Å
296S93.7Very high97.3Very high85 Ų8562.5 Ų62.559%0.59433%0.331SS*.Hα-helixtrans-60.3-30.8-175.150.80000113.7K300S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.47Å; S296-K300 PolarHBondContact O-N 3.47Å
297E96.1Very high97.3Very high117 Ų11760.1 Ų60.155%0.54732%0.316SS..Hα-helixtrans-67.2-38.8177-60.7-163.9153.200112.2F268 Q272 H295 K300 A301F268-E297 HydrophobicContact CE1-CB 4.47Å; Q272-E297 PolarHBondContact NE2-OE2 3.39Å; Q272-E297 VanDerWaalsContact NE2-OE2 3.08Å; H295-E297 PolarHBondContact O-N 2.85Å; E297-K300 PolarHBondContact O-N 2.81Å; E297-A301 WeakPolarHBondContact O-CB 3.44Å; E297-A301 PolarHBondContact O-N 3.14Å
298L97.9Very high97.3Very high1 Ų160 Ų601%0.00531%0.31CS..Hα-helixtrans-69.2-47.2176.7-165.7168.8000110.2I264 E265 F268 L294 H295 K300 A301 V302 F307 I309I264-L298 HydrophobicContact CG2-CD1 3.86Å; E265-L298 HydrophobicContact CG-CD1 3.77Å; F268-L298 HydrophobicContact CB-CD1 3.73Å; F268-L298 HydrophobicContact CB-CG 4.17Å; F268-L298 HydrophobicContact CD1-CB 3.94Å; F268-L298 HydrophobicContact CD1-CD1 4.03Å; F268-L298 HydrophobicContact CD1-CG 3.93Å; F268-L298 HydrophobicContact CD2-CB 4.43Å; F268-L298 HydrophobicContact CD2-CD1 4.33Å; F268-L298 HydrophobicContact CD2-CG 3.8Å; F268-L298 HydrophobicContact CE1-CB 3.91Å; F268-L298 HydrophobicContact CE1-CG 4.28Å; F268-L298 HydrophobicContact CE2-CB 4.39Å; F268-L298 HydrophobicContact CE2-CG 4.15Å; F268-L298 HydrophobicContact CG-CB 4.2Å; F268-L298 HydrophobicContact CG-CD1 3.76Å; F268-L298 HydrophobicContact CG-CG 3.68Å; F268-L298 HydrophobicContact CZ-CB 4.14Å; F268-L298 HydrophobicContact CZ-CG 4.38Å; L294-L298 HydrophobicContact CB-CD1 4.43Å; L294-L298 HydrophobicContact CB-CD2 4.4Å; L294-L298 HydrophobicContact CD1-CD1 4.22Å; L294-L298 HydrophobicContact CD1-CD2 3.56Å; L294-L298 HydrophobicContact CD1-CG 4.47Å; L294-L298 HydrophobicContact CD2-CD1 4.34Å; H295-L298 WeakPolarHBondContact O-CB 3.41Å; H295-L298 PolarHBondContact O-N 3.07Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.35Å; L298-A301 WeakPolarHBondContact O-CB 3.43Å; L298-A301 PolarHBondContact O-N 3.39Å; L298-V302 HydrophobicContact CD2-CG2 3.77Å; L298-V302 WeakPolarHBondContact O-CG2 3.31Å; L298-V302 PolarHBondContact O-N 3.26Å; L298-F307 HydrophobicContact CD2-CD1 4.41Å; L298-I309 HydrophobicContact CD2-CD1 4.17Å
299V97.6Very high97.4Very high61 Ų6162 Ų6237%0.3732%0.32SS..Hα-helixtrans-54-47174.9176.40000110.6L294 H295 A301 V302 E303L294-V299 HydrophobicContact CB-CG2 4.15Å; H295-V299 PolarHBondContact O-N 2.83Å; V299-A301 PolarHBondContact O-N 3.22Å; V299-V302 PolarHBondContact O-N 3.46Å; V299-E303 WeakPolarHBondContact O-CG 3.49Å; V299-E303 PolarHBondContact O-N 3.42Å
300K98.2Very high97.4Very high117 Ų11762.2 Ų62.251%0.50932%0.315SS..Hα-helixtrans-61.9-42.2176.5-178.6179.1174-176.80112.5S296 E297 L298 V302 E303 E304S296-K300 VanDerWaalsContact O-CB 3.31Å; S296-K300 WeakPolarHBondContact O-CB 3.47Å; S296-K300 PolarHBondContact O-N 3.47Å; E297-K300 PolarHBondContact O-N 2.81Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.35Å; K300-V302 VanDerWaalsContact C-N 3.27Å; K300-V302 PolarHBondContact O-N 3.29Å; K300-E303 PolarHBondContact O-N 3.29Å; K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 HydrophobicContact CG-CG 4.4Å; K300-E304 IonicContact NZ-OE1 3.11Å; K300-E304 WeakPolarHBondContact O-CB 3.34Å; K300-E304 VanDerWaalsContact O-CG 3.29Å; K300-E304 WeakPolarHBondContact O-CG 3.36Å; K300-E304 PolarHBondContact O-N 2.98Å
301A98.5Very high97.5Very high4 Ų457.1 Ų57.13%0.03331%0.306CS..Hα-helixtrans-62.8-35176.800000112.3F268 L276 E297 L298 V299 G305 K306 F307F268-A301 HydrophobicContact CE2-CB 3.54Å; F268-A301 HydrophobicContact CZ-CB 3.85Å; L276-A301 HydrophobicContact CD1-CB 3.88Å; E297-A301 WeakPolarHBondContact O-CB 3.44Å; E297-A301 PolarHBondContact O-N 3.14Å; L298-A301 WeakPolarHBondContact O-CB 3.43Å; L298-A301 PolarHBondContact O-N 3.39Å; V299-A301 PolarHBondContact O-N 3.22Å; A301-G305 PolarHBondContact O-N 3.43Å; A301-K306 HydrophobicContact CB-CB 4.34Å; A301-K306 WeakPolarHBondContact O-CB 3.35Å; A301-K306 PolarHBondContact O-N 3.23Å; A301-F307 HydrophobicContact CB-CB 4.18Å; A301-F307 PolarHBondContact O-N 2.76Å
302V98.5Very high97.6Very high57 Ų5755.3 Ų55.335%0.34530%0.298SS..Hα-helixtrans-69.4-46.2174173.10000111.3L298 V299 K300 E304 G305 F307 I309L298-V302 HydrophobicContact CD2-CG2 3.77Å; L298-V302 WeakPolarHBondContact O-CG2 3.31Å; L298-V302 PolarHBondContact O-N 3.26Å; V299-V302 PolarHBondContact O-N 3.46Å; K300-V302 VanDerWaalsContact C-N 3.27Å; K300-V302 PolarHBondContact O-N 3.29Å; V302-E304 PolarHBondContact O-N 2.84Å; V302-G305 PolarHBondContact O-N 2.85Å; V302-F307 WeakPolarHBondContact CA-O 3.37Å; V302-F307 HydrophobicContact CG2-CB 4.39Å; V302-F307 HydrophobicContact CG2-CD1 4.26Å; V302-I309 HydrophobicContact CG2-CD1 4.38Å; V302-I309 HydrophobicContact CG2-CG1 4.41Å
303E98.1Very high97.6Very high155 Ų15558.6 Ų58.672%0.72432%0.316SS*.Hα-helixtrans-58.9-35.6175.3-71.8176.4163.700112.5V299 K300 G305V299-E303 WeakPolarHBondContact O-CG 3.49Å; V299-E303 PolarHBondContact O-N 3.42Å; K300-E303 PolarHBondContact O-N 3.29Å; E303-G305 VanDerWaalsContact C-N 3.29Å; E303-G305 PolarHBondContact O-N 3.22Å
304E98Very high97.7Very high96 Ų9659.4 Ų59.445%0.44932%0.319SS..THydrogen-bonded Turntrans-81.9-1.7177.4-69.4178.6177.400113.7K300 V302 K306K300-E304 WeakPolarHBondContact CE-OE1 3.48Å; K300-E304 HydrophobicContact CG-CG 4.4Å; K300-E304 IonicContact NZ-OE1 3.11Å; K300-E304 WeakPolarHBondContact O-CB 3.34Å; K300-E304 VanDerWaalsContact O-CG 3.29Å; K300-E304 WeakPolarHBondContact O-CG 3.36Å; K300-E304 PolarHBondContact O-N 2.98Å; V302-E304 PolarHBondContact O-N 2.84Å; E304-K306 HydrophobicContact CB-CD 4.24Å; E304-K306 HydrophobicContact CB-CG 4.18Å; E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 VanDerWaalsContact OE2-CE 3.27Å; E304-K306 WeakPolarHBondContact OE2-CE 3.47Å; E304-K306 IonicContact OE2-NZ 3.17Å; E304-K306 PolarHBondContact OE2-NZ 2.81Å
305G98.1Very high97.8Very high46 Ų4658.5 Ų58.547%0.47432%0.315SS..THydrogen-bonded Turntrans68.320.3-178.200000114.4G278 A301 V302 E303G278-G305 WeakPolarHBondContact CA-O 3.43Å; A301-G305 PolarHBondContact O-N 3.43Å; V302-G305 PolarHBondContact O-N 2.85Å; E303-G305 VanDerWaalsContact C-N 3.29Å; E303-G305 PolarHBondContact O-N 3.22Å
306K98.3Very high98Very high91 Ų9158.1 Ų58.140%0.39632%0.316SS..SBendtrans-87.1-22.2178.8-70178.2178164.20113.1L276 G278 A301 E304L276-K306 HydrophobicContact CB-CB 3.99Å; L276-K306 HydrophobicContact CD1-CB 4.01Å; G278-K306 VanDerWaalsContact CA-O 3.3Å; G278-K306 WeakPolarHBondContact CA-O 3.35Å; G278-K306 PolarHBondContact N-O 3.47Å; A301-K306 HydrophobicContact CB-CB 4.34Å; A301-K306 WeakPolarHBondContact O-CB 3.35Å; A301-K306 PolarHBondContact O-N 3.23Å; E304-K306 HydrophobicContact CB-CD 4.24Å; E304-K306 HydrophobicContact CB-CG 4.18Å; E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 VanDerWaalsContact OE2-CE 3.27Å; E304-K306 WeakPolarHBondContact OE2-CE 3.47Å; E304-K306 IonicContact OE2-NZ 3.17Å; E304-K306 PolarHBondContact OE2-NZ 2.81Å
307F98.7Very high98.2Very high1 Ų157.6 Ų57.60%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-141.3146.3176.3-164.4-98.6000109.1I264 F267 F268 C271 L276 Q280 V282 L298 A301 V302 I309I264-F307 HydrophobicContact CG2-CE1 4.19Å; F267-F307 HydrophobicContact CD1-CE2 4.19Å; F267-F307 HydrophobicContact CD1-CZ 4.03Å; F267-F307 HydrophobicContact CE1-CE2 4.39Å; F268-F307 HydrophobicContact CB-CE1 4.47Å; F268-F307 HydrophobicContact CB-CE2 4.3Å; F268-F307 HydrophobicContact CB-CZ 4.04Å; F268-F307 HydrophobicContact CD2-CB 4.27Å; F268-F307 HydrophobicContact CD2-CD1 4.16Å; F268-F307 AromaticContact CD2-CD2 3.79Å; F268-F307 HydrophobicContact CD2-CD2 3.79Å; F268-F307 HydrophobicContact CD2-CE1 4.37Å; F268-F307 HydrophobicContact CD2-CE2 4.02Å; F268-F307 AromaticContact CD2-CG 3.83Å; F268-F307 HydrophobicContact CD2-CG 3.83Å; F268-F307 HydrophobicContact CD2-CZ 4.27Å; F268-F307 HydrophobicContact CE2-CB 4.27Å; F268-F307 HydrophobicContact CE2-CD2 4.45Å; F268-F307 HydrophobicContact CE2-CG 4.32Å; C271-F307 HydrophobicContact CB-CE2 4.31Å; L276-F307 HydrophobicContact CD2-CD2 4.09Å; Q280-F307 HydrophobicContact CB-CD2 3.75Å; Q280-F307 HydrophobicContact CB-CE2 3.93Å; Q280-F307 CarbonylContact O-C 3.54Å; Q280-F307 VanDerWaalsContact O-CA 3.31Å; Q280-F307 WeakPolarHBondContact O-CA 3.5Å; V282-F307 HydrophobicContact CG2-CE1 4.1Å; V282-F307 HydrophobicContact CG2-CZ 3.78Å; L298-F307 HydrophobicContact CD2-CD1 4.41Å; A301-F307 HydrophobicContact CB-CB 4.18Å; A301-F307 PolarHBondContact O-N 2.76Å; V302-F307 WeakPolarHBondContact CA-O 3.37Å; V302-F307 HydrophobicContact CG2-CB 4.39Å; V302-F307 HydrophobicContact CG2-CD1 4.26Å; F307-I309 HydrophobicContact CD1-CG1 4.48Å; F307-I309 HydrophobicContact CE1-CG1 4.41Å
308T98.7Very high98.3Very high43 Ų4352 Ų5226%0.26428%0.281SS..EExtended strand (participates in β ladder)trans-126.1143.3-178.2-520000111.5Q280 G281 V282 W310Q280-T308 PolarHBondContact O-N 3.03Å; G281-T308 CarbonylContact C-O 3.47Å; G281-T308 WeakPolarHBondContact CA-O 3.17Å; V282-T308 PolarHBondContact N-O 3.42Å; T308-W310 VanDerWaalsContact CB-CZ2 3.48Å; T308-W310 HydrophobicContact CG2-CD2 3.82Å; T308-W310 HydrophobicContact CG2-CE3 4.39Å; T308-W310 HydrophobicContact CG2-CG 4.3Å; T308-W310 HydrophobicContact CG2-CH2 4.13Å; T308-W310 HydrophobicContact CG2-CZ2 3.5Å; T308-W310 VanDerWaalsContact CG2-CZ2 3.5Å
309I98.8Very high98.4Very high41 Ų4152 Ų5221%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-116.5120170.5-58.6173.6000107.4I264 V282 I284 L294 L298 V302 F307I264-I309 HydrophobicContact CD1-CD1 4.49Å; I264-I309 HydrophobicContact CG2-CD1 4.21Å; V282-I309 CarbonylContact O-C 3.57Å; V282-I309 WeakPolarHBondContact O-CA 3.2Å; I284-I309 HydrophobicContact CD1-CG2 3.73Å; I284-I309 HydrophobicContact CG1-CG2 3.97Å; I284-I309 HydrophobicContact CG2-CG2 4.44Å; L294-I309 HydrophobicContact CD1-CD1 3.43Å; L294-I309 VanDerWaalsContact CD1-CD1 3.43Å; L298-I309 HydrophobicContact CD2-CD1 4.17Å; V302-I309 HydrophobicContact CG2-CD1 4.38Å; V302-I309 HydrophobicContact CG2-CG1 4.41Å; F307-I309 HydrophobicContact CD1-CG1 4.48Å; F307-I309 HydrophobicContact CE1-CG1 4.41Å
310W98.8Very high98.4Very high66 Ų6651.2 Ų51.225%0.2528%0.277CS..EExtended strand (participates in β ladder)trans-104.3127.3176.8-60.6-85.3000109.9I242 V282 I283 I284 T308 L321I242-W310 HydrophobicContact CD1-CH2 4.08Å; I242-W310 HydrophobicContact CD1-CZ3 4.12Å; I242-W310 HydrophobicContact CG1-CH2 4.15Å; I242-W310 HydrophobicContact CG1-CZ3 3.99Å; I242-W310 HydrophobicContact CG2-CE3 4.45Å; I242-W310 HydrophobicContact CG2-CZ3 4.01Å; V282-W310 PolarHBondContact O-N 2.87Å; I283-W310 CarbonylContact C-O 3.48Å; I283-W310 WeakPolarHBondContact CA-O 3.29Å; I283-W310 HydrophobicContact CG1-CB 4.24Å; I283-W310 HydrophobicContact CG1-CE3 4Å; I284-W310 PolarHBondContact N-O 3.18Å; T308-W310 VanDerWaalsContact CB-CZ2 3.48Å; T308-W310 HydrophobicContact CG2-CD2 3.82Å; T308-W310 HydrophobicContact CG2-CE3 4.39Å; T308-W310 HydrophobicContact CG2-CG 4.3Å; T308-W310 HydrophobicContact CG2-CH2 4.13Å; T308-W310 HydrophobicContact CG2-CZ2 3.5Å; T308-W310 VanDerWaalsContact CG2-CZ2 3.5Å; W310-L321 HydrophobicContact CB-CD1 3.68Å; W310-L321 HydrophobicContact CD2-CD1 4.22Å; W310-L321 HydrophobicContact CG-CD1 3.69Å; W310-L321 HydrophobicContact CG-CD2 4.39Å
311A98.7Very high98.4Very high52 Ų5247.9 Ų47.943%0.4327%0.265SS..EExtended strand (participates in β ladder)trans-93.9130.517100000109.5I284 V289I284-A311 CarbonylContact O-C 3.58Å; I284-A311 WeakPolarHBondContact O-CA 3.48Å; V289-A311 HydrophobicContact CG2-CB 3.77Å
312V98.8Very high98.4Very high4 Ų447.7 Ų47.72%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-126.7145.3-179.6-64.70000111.5M223 A254 I283 I284 P285 T286 D317 A318 L321M223-V312 HydrophobicContact SD-CG2 4.15Å; A254-V312 HydrophobicContact CB-CG2 4.45Å; A254-V312 WeakPolarHBondContact CB-O 3.17Å; I283-V312 HydrophobicContact CG2-CB 4.27Å; I283-V312 HydrophobicContact CG2-CG1 3.71Å; I283-V312 HydrophobicContact CG2-CG2 3.5Å; I284-V312 WeakPolarHBondContact O-CG2 3.13Å; I284-V312 PolarHBondContact O-N 3.26Å; P285-V312 CarbonylContact C-O 3.58Å; P285-V312 WeakPolarHBondContact CA-O 3.45Å; T286-V312 PolarHBondContact N-O 3.04Å; T286-V312 VanDerWaalsContact OG1-C 3.26Å; T286-V312 PolarHBondContact OG1-O 3.17Å; V312-D317 HydrophobicContact CB-CB 3.79Å; V312-D317 HydrophobicContact CG1-CB 3.67Å; V312-A318 HydrophobicContact CG1-CB 4.43Å; V312-L321 HydrophobicContact CG1-CD1 4.32Å
313D98.6Very high98.4Very high104 Ų10445.2 Ų45.256%0.55625%0.248SC*.SBendtrans-98.3-22.4176.2-71.7-43000111.9A254 T286 D317A254-D313 WeakPolarHBondContact CB-O 3.23Å; A254-D313 PolarHBondContact N-O 2.85Å; T286-D313 WeakPolarHBondContact CB-OD1 3.5Å; T286-D313 PolarHBondContact OG1-OD1 2.86Å; D313-D317 PolarHBondContact N-OD2 3.07Å
314D98.4Very high98.4Very high30 Ų3043.2 Ų43.216%0.1624%0.242CC..BIsolated β-bridgetrans-144.6155.5-175.9-164.6-87.2000111.7G252 R253 T316 D317G252-D314 WeakPolarHBondContact O-CA 3.26Å; G252-D314 VanDerWaalsContact O-CG 3.28Å; G252-D314 VanDerWaalsContact O-OD2 3.13Å; R253-D314 PolarHBondContact N-OD2 3.28Å; D314-T316 PolarHBondContact O-N 3.46Å; D314-T316 WeakPolarHBondContact OD1-CB 3.35Å; D314-T316 WeakPolarHBondContact OD1-CG2 3.3Å; D314-T316 PolarHBondContact OD1-N 2.87Å; D314-T316 PolarHBondContact OD1-OG1 3.34Å; D314-D317 PolarHBondContact N-OD2 2.89Å; D314-D317 WeakPolarHBondContact O-CB 3.28Å; D314-D317 PolarHBondContact O-N 2.74Å
315V98.2Very high98.3Very high1 Ų140.9 Ų40.91%0.00623%0.233CC..Hα-helixtrans-55.7-32.9173.267.90000111.6F190 M223 L226 G252 D317 A318 L319F190-V315 HydrophobicContact CE1-CG1 3.92Å; F190-V315 HydrophobicContact CE2-CG1 4.35Å; F190-V315 HydrophobicContact CZ-CG1 3.62Å; M223-V315 HydrophobicContact CG-CG2 4.38Å; L226-V315 HydrophobicContact CB-CG2 4.47Å; L226-V315 HydrophobicContact CD2-CB 4.2Å; L226-V315 HydrophobicContact CD2-CG1 4.11Å; L226-V315 HydrophobicContact CD2-CG2 3.8Å; L226-V315 HydrophobicContact CG-CG2 3.99Å; G252-V315 PolarHBondContact O-N 2.99Å; V315-D317 PolarHBondContact O-N 3.27Å; V315-A318 WeakPolarHBondContact O-CB 3.41Å; V315-A318 PolarHBondContact O-N 3.33Å; V315-L319 HydrophobicContact CG2-CG 4.48Å; V315-L319 WeakPolarHBondContact O-CG 3.46Å; V315-L319 PolarHBondContact O-N 3.38Å; V315-L319 VanDerWaalsContact O-N 3.12Å
316T97.6Very high98.3Very high48 Ų4840.8 Ų40.829%0.29422%0.222SC..Hα-helixtrans-65.8-22.7177.958.20000113.8D314 P320 W327D314-T316 PolarHBondContact O-N 3.46Å; D314-T316 WeakPolarHBondContact OD1-CB 3.35Å; D314-T316 WeakPolarHBondContact OD1-CG2 3.3Å; D314-T316 PolarHBondContact OD1-N 2.87Å; D314-T316 PolarHBondContact OD1-OG1 3.34Å; T316-P320 WeakPolarHBondContact O-CD 3.47Å; T316-W327 HydrophobicContact CG2-CB 3.67Å; T316-W327 HydrophobicContact CG2-CG 3.75Å
317D98.4Very high98.2Very high75 Ų7537.1 Ų37.140%0.40121%0.206SC..Hα-helixtrans-77.7-30.8171.2-58.2-40.2000111.9V312 D313 D314 V315V312-D317 HydrophobicContact CB-CB 3.79Å; V312-D317 HydrophobicContact CG1-CB 3.67Å; D313-D317 PolarHBondContact N-OD2 3.07Å; D314-D317 PolarHBondContact N-OD2 2.89Å; D314-D317 WeakPolarHBondContact O-CB 3.28Å; D314-D317 PolarHBondContact O-N 2.74Å; V315-D317 PolarHBondContact O-N 3.27Å
318A98.6Very high98Very high0 Ų040.9 Ų40.90%023%0.227CC..Hα-helixtrans-76.7-34-179.600000112.6I244 I283 V312 V315 L321 L322I244-A318 HydrophobicContact CD1-CB 3.81Å; I283-A318 HydrophobicContact CD1-CB 4.28Å; I283-A318 HydrophobicContact CG2-CB 4.18Å; V312-A318 HydrophobicContact CG1-CB 4.43Å; V315-A318 WeakPolarHBondContact O-CB 3.41Å; V315-A318 PolarHBondContact O-N 3.33Å; A318-L321 WeakPolarHBondContact O-CB 3.4Å; A318-L321 PolarHBondContact O-N 2.78Å; A318-L321 VanDerWaalsContact O-N 3.16Å; A318-L322 HydrophobicContact CB-CD1 4.36Å; A318-L322 PolarHBondContact O-N 3.5Å; A318-L322 VanDerWaalsContact O-N 3.13Å
319L98.6Very high97.6Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-59.3-45.2-175.3-68.5167.5000113.8C227 I230 V315 L321 L322 L323 L325 W327 L335C227-L319 HydrophobicContact CB-CD2 4.42Å; I230-L319 HydrophobicContact CB-CD2 4.24Å; I230-L319 HydrophobicContact CD1-CD1 3.99Å; I230-L319 HydrophobicContact CD1-CD2 3.96Å; I230-L319 HydrophobicContact CG2-CD2 3.88Å; V315-L319 HydrophobicContact CG2-CG 4.48Å; V315-L319 WeakPolarHBondContact O-CG 3.46Å; V315-L319 PolarHBondContact O-N 3.38Å; V315-L319 VanDerWaalsContact O-N 3.12Å; L319-L321 VanDerWaalsContact C-N 3.26Å; L319-L321 PolarHBondContact O-N 3.03Å; L319-L322 PolarHBondContact O-N 3.21Å; L319-L323 HydrophobicContact CD2-CD1 3.63Å; L319-L323 WeakPolarHBondContact O-CA 3.35Å; L319-L323 WeakPolarHBondContact O-CB 3.42Å; L319-L323 PolarHBondContact O-N 3.39Å; L319-L325 CarbonylContact C-O 3.59Å; L319-W327 HydrophobicContact CD1-CB 3.9Å; L319-W327 HydrophobicContact CD1-CD2 4.18Å; L319-W327 HydrophobicContact CD1-CE3 3.69Å; L319-W327 HydrophobicContact CD1-CG 4.31Å; L319-L335 HydrophobicContact CB-CD1 3.8Å; L319-L335 HydrophobicContact CD1-CD1 3.95Å; L319-L335 HydrophobicContact CD2-CD1 4.08Å; L319-L335 HydrophobicContact CG-CD1 4.16Å
320P98.1Very high96.9Very high45 Ų4547.4 Ų47.429%0.29226%0.26SS..Hα-helixtrans-60.8-33.4176-24.833.7000113.7T316 N324 L325 V326T316-P320 WeakPolarHBondContact O-CD 3.47Å; P320-N324 VanDerWaalsContact O-CA 3.31Å; P320-N324 WeakPolarHBondContact O-CA 3.28Å; P320-N324 PolarHBondContact O-N 3.17Å; P320-N324 VanDerWaalsContact O-N 3.11Å; P320-L325 WeakPolarHBondContact CA-O 3.42Å; P320-V326 HydrophobicContact CG-CG1 4.15Å
321L98.3Very high96.2Very high47 Ų4748.5 Ų48.525%0.24629%0.291CS..Hα-helixtrans-70.4-37.6178.8-57.7174.3000111.4I242 I283 W310 V312 A318 L319I242-L321 VanDerWaalsContact CD1-O 3.24Å; I242-L321 WeakPolarHBondContact CD1-O 3.12Å; I283-L321 HydrophobicContact CD1-CB 3.87Å; I283-L321 HydrophobicContact CD1-CD1 3.9Å; I283-L321 HydrophobicContact CG1-CD1 3.95Å; W310-L321 HydrophobicContact CB-CD1 3.68Å; W310-L321 HydrophobicContact CD2-CD1 4.22Å; W310-L321 HydrophobicContact CG-CD1 3.69Å; W310-L321 HydrophobicContact CG-CD2 4.39Å; V312-L321 HydrophobicContact CG1-CD1 4.32Å; A318-L321 WeakPolarHBondContact O-CB 3.4Å; A318-L321 PolarHBondContact O-N 2.78Å; A318-L321 VanDerWaalsContact O-N 3.16Å; L319-L321 VanDerWaalsContact C-N 3.26Å; L319-L321 PolarHBondContact O-N 3.03Å
322L98.7Very high95.7Very high0 Ų051 Ų510%029%0.294CS..Hα-helixtrans-87.9-37-175.7-69.7166.6000113.4I134 C227 V238 N239 I242 I244 I283 A318 L319I134-L322 HydrophobicContact CD1-CD1 3.76Å; I134-L322 HydrophobicContact CD1-CD2 4.08Å; C227-L322 HydrophobicContact CB-CD1 3.79Å; C227-L322 VanDerWaalsContact SG-CD1 3.59Å; V238-L322 CarbonylContact C-O 3.6Å; V238-L322 WeakPolarHBondContact CA-O 3.47Å; V238-L322 HydrophobicContact CG1-CB 4.35Å; V238-L322 HydrophobicContact CG1-CD2 4.06Å; N239-L322 PolarHBondContact N-O 2.89Å; I242-L322 HydrophobicContact CB-CD2 4.02Å; I242-L322 HydrophobicContact CG2-CD2 3.8Å; I244-L322 HydrophobicContact CD1-CD1 4.07Å; I283-L322 HydrophobicContact CD1-CD1 4Å; I283-L322 HydrophobicContact CD1-CD2 3.95Å; I283-L322 HydrophobicContact CD1-CG 3.68Å; A318-L322 HydrophobicContact CB-CD1 4.36Å; A318-L322 PolarHBondContact O-N 3.5Å; A318-L322 VanDerWaalsContact O-N 3.13Å; L319-L322 PolarHBondContact O-N 3.21Å
323L98.4Very high95.4Very high4 Ų455.2 Ų55.22%0.02132%0.32CS..Hα-helixtrans-120.4-2.3-166.3-58.8178.2000113.8I230 V236 V238 L319 L325 L335I230-L323 HydrophobicContact CG2-CD1 4.07Å; V236-L323 HydrophobicContact CG1-CB 3.98Å; V236-L323 HydrophobicContact CG1-CD2 4.22Å; V236-L323 WeakPolarHBondContact CG1-O 3.45Å; V238-L323 HydrophobicContact CB-CD2 4.21Å; V238-L323 HydrophobicContact CG2-CD2 3.52Å; L319-L323 HydrophobicContact CD2-CD1 3.63Å; L319-L323 WeakPolarHBondContact O-CA 3.35Å; L319-L323 WeakPolarHBondContact O-CB 3.42Å; L319-L323 PolarHBondContact O-N 3.39Å; L323-L325 PolarHBondContact O-N 3.11Å; L323-L335 HydrophobicContact CB-CD1 4.49Å; L323-L335 HydrophobicContact CB-CD2 4.41Å; L323-L335 HydrophobicContact CD1-CD1 3.68Å; L323-L335 HydrophobicContact CD1-CD2 3.82Å; L323-L335 HydrophobicContact CD1-CG 4.43Å
324N97Very high95.3Very high114 Ų11450.2 Ų50.261%0.6129%0.293SS*.SBendtrans56.218-175.5-61.2-54.7000114.7P320P320-N324 VanDerWaalsContact O-CA 3.31Å; P320-N324 WeakPolarHBondContact O-CA 3.28Å; P320-N324 PolarHBondContact O-N 3.17Å; P320-N324 VanDerWaalsContact O-N 3.11Å
325L97.4Very high95.2Very high47 Ų4748.8 Ų48.825%0.24629%0.286CS..SBendtrans-135.5146.2178.4-68.4177.1000109.8V236 L319 P320 L323 L335V236-L325 HydrophobicContact CG1-CD1 4.13Å; V236-L325 HydrophobicContact CG2-CD1 3.86Å; L319-L325 CarbonylContact C-O 3.59Å; P320-L325 WeakPolarHBondContact CA-O 3.42Å; L323-L325 PolarHBondContact O-N 3.11Å; L325-L335 HydrophobicContact CB-CD1 4.39Å; L325-L335 HydrophobicContact CB-CD2 4.02Å; L325-L335 HydrophobicContact CB-CG 3.85Å; L325-L335 HydrophobicContact CD1-CD2 4.07Å
326V97.4Very high95.1Very high43 Ų4350.1 Ų50.126%0.26129%0.292SS..  trans-79.1156.1173.3-59.10000111P320 Q332 T334 L335P320-V326 HydrophobicContact CG-CG1 4.15Å; V326-Q332 HydrophobicContact CG2-CG 4.2Å; V326-Q332 VanDerWaalsContact CG2-NE2 3.26Å; V326-T334 HydrophobicContact CG2-CG2 4Å; V326-L335 PolarHBondContact O-N 3.2Å
327W96.8Very high94.9Very high14 Ų1451 Ų515%0.05329%0.293CS..SBendtrans-58.7-58175179.3-121.9000112L191 E194 I230 T316 L319 T334 L335 M336 I339L191-W327 HydrophobicContact CD1-CH2 3.98Å; E194-W327 HydrophobicContact CB-CZ2 3.74Å; E194-W327 HydrophobicContact CG-CZ2 4.24Å; E194-W327 PolarHBondContact OE2-NE1 3.12Å; I230-W327 HydrophobicContact CB-CZ3 4.43Å; I230-W327 HydrophobicContact CD1-CE3 4.09Å; I230-W327 HydrophobicContact CD1-CH2 4.17Å; I230-W327 HydrophobicContact CD1-CZ3 3.6Å; I230-W327 HydrophobicContact CG1-CH2 4.28Å; I230-W327 HydrophobicContact CG1-CZ3 3.77Å; I230-W327 HydrophobicContact CG2-CE3 4.28Å; I230-W327 HydrophobicContact CG2-CZ3 3.8Å; T316-W327 HydrophobicContact CG2-CB 3.67Å; T316-W327 HydrophobicContact CG2-CG 3.75Å; L319-W327 HydrophobicContact CD1-CB 3.9Å; L319-W327 HydrophobicContact CD1-CD2 4.18Å; L319-W327 HydrophobicContact CD1-CE3 3.69Å; L319-W327 HydrophobicContact CD1-CG 4.31Å; W327-T334 WeakPolarHBondContact O-CB 3.44Å; W327-L335 HydrophobicContact CE3-CB 4.02Å; W327-L335 HydrophobicContact CZ3-CB 4.37Å; W327-L335 PolarHBondContact O-N 3.46Å; W327-M336 VanDerWaalsContact O-CB 3.3Å; W327-M336 WeakPolarHBondContact O-CB 3.5Å; W327-M336 PolarHBondContact O-N 2.75Å; W327-I339 HydrophobicContact CH2-CD1 4.36Å; W327-I339 HydrophobicContact CZ3-CD1 4.09Å
328D94.3Very high94.8Very high81 Ų8148.6 Ų48.643%0.43328%0.281SS..SBendtrans-149.6163.2178.9-167.426.9000111.5M336D328-M336 HydrophobicContact CB-CB 4.4Å; D328-M336 HydrophobicContact CB-CE 4.09Å; D328-M336 HydrophobicContact CB-SD 4.37Å; D328-M336 WeakPolarHBondContact OD1-CE 3.39Å; D328-M336 WeakPolarHBondContact OD2-CE 3.35Å
329G89.5Confident94.5Very high24 Ų2448.7 Ų48.725%0.24728%0.281CS..  trans156.3158-17800000113.4T334G329-T334 WeakPolarHBondContact O-CG2 3.49Å
330E85.3Confident94.2Very high197 Ų19752.4 Ų52.492%0.92130%0.299SS*.THydrogen-bonded Turntrans-82141.8-179.9-64.3-173.8172.100112.4Q332E330-Q332 PolarHBondContact O-N 3.26Å
331G83.7Confident93.9Very high89 Ų8955.8 Ų55.892%0.91831%0.311SS*.THydrogen-bonded Turntrans80.69.8167.400000116.5
332Q88.3Confident93.5Very high103 Ų10357.5 Ų57.548%0.48131%0.314SS..SBendtrans-141.5159.3176.462.7-169.6-2100110.9V326 E330 T334 Q337V326-Q332 HydrophobicContact CG2-CG 4.2Å; V326-Q332 VanDerWaalsContact CG2-NE2 3.26Å; E330-Q332 PolarHBondContact O-N 3.26Å; Q332-T334 HydrophobicContact CG-CG2 4.14Å; Q332-T334 WeakPolarHBondContact O-CG2 3.45Å; Q332-T334 PolarHBondContact O-N 3.41Å; Q332-Q337 PolarHBondContact O-OE1 3.33Å
333T91.7Very high93.1Very high93 Ų9358.7 Ų58.757%0.57132%0.32SS*.  trans-67126.1169.7-57.40000109.1
334T96.8Very high92.5Very high0 Ų060.7 Ų60.70%034%0.337CS..  trans-117.1160.3-179.374.40000111.4V326 W327 G329 Q332 M336 Q337 T338V326-T334 HydrophobicContact CG2-CG2 4Å; W327-T334 WeakPolarHBondContact O-CB 3.44Å; G329-T334 WeakPolarHBondContact O-CG2 3.49Å; Q332-T334 HydrophobicContact CG-CG2 4.14Å; Q332-T334 WeakPolarHBondContact O-CG2 3.45Å; Q332-T334 PolarHBondContact O-N 3.41Å; T334-M336 VanDerWaalsContact C-N 3.33Å; T334-Q337 WeakPolarHBondContact OG1-CB 3.32Å; T334-Q337 VanDerWaalsContact OG1-CG 3.25Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.33Å; T334-Q337 PolarHBondContact OG1-N 3.23Å; T334-Q337 VanDerWaalsContact OG1-N 3.1Å; T334-T338 WeakPolarHBondContact O-CB 3.47Å; T334-T338 PolarHBondContact O-N 3.26Å; T334-T338 PolarHBondContact O-OG1 3.35Å
335L97.1Very high92Very high0 Ų060.7 Ų60.70%033%0.334CS..Hα-helixtrans-61.6-44.4174.7-68.4164.3000110.7I230 A234 V236 L319 L323 L325 V326 W327 Q337 T338 I339I230-L335 HydrophobicContact CG2-CB 4.33Å; I230-L335 HydrophobicContact CG2-CD1 4.04Å; I230-L335 HydrophobicContact CG2-CD2 4.42Å; A234-L335 HydrophobicContact CB-CD2 3.77Å; V236-L335 HydrophobicContact CB-CD2 4.26Å; V236-L335 HydrophobicContact CG1-CD2 4.47Å; V236-L335 HydrophobicContact CG2-CD2 4.13Å; L319-L335 HydrophobicContact CB-CD1 3.8Å; L319-L335 HydrophobicContact CD1-CD1 3.95Å; L319-L335 HydrophobicContact CD2-CD1 4.08Å; L319-L335 HydrophobicContact CG-CD1 4.16Å; L323-L335 HydrophobicContact CB-CD1 4.49Å; L323-L335 HydrophobicContact CB-CD2 4.41Å; L323-L335 HydrophobicContact CD1-CD1 3.68Å; L323-L335 HydrophobicContact CD1-CD2 3.82Å; L323-L335 HydrophobicContact CD1-CG 4.43Å; L325-L335 HydrophobicContact CB-CD1 4.39Å; L325-L335 HydrophobicContact CB-CD2 4.02Å; L325-L335 HydrophobicContact CB-CG 3.85Å; L325-L335 HydrophobicContact CD1-CD2 4.07Å; V326-L335 PolarHBondContact O-N 3.2Å; W327-L335 HydrophobicContact CE3-CB 4.02Å; W327-L335 HydrophobicContact CZ3-CB 4.37Å; W327-L335 PolarHBondContact O-N 3.46Å; L335-Q337 PolarHBondContact O-N 3.17Å; L335-T338 PolarHBondContact O-N 2.67Å; L335-I339 VanDerWaalsContact O-CG1 3.22Å; L335-I339 WeakPolarHBondContact O-CG1 3.46Å; L335-I339 PolarHBondContact O-N 2.86Å
336M95.2Very high91.3Very high28 Ų2859.1 Ų59.114%0.13833%0.328CS..Hα-helixtrans-60.6-46.9179.4-171.8-179.576.800112W327 D328 T334 T338 I339 Q340W327-M336 VanDerWaalsContact O-CB 3.3Å; W327-M336 WeakPolarHBondContact O-CB 3.5Å; W327-M336 PolarHBondContact O-N 2.75Å; D328-M336 HydrophobicContact CB-CB 4.4Å; D328-M336 HydrophobicContact CB-CE 4.09Å; D328-M336 HydrophobicContact CB-SD 4.37Å; D328-M336 WeakPolarHBondContact OD1-CE 3.39Å; D328-M336 WeakPolarHBondContact OD2-CE 3.35Å; T334-M336 VanDerWaalsContact C-N 3.33Å; M336-T338 VanDerWaalsContact C-N 3.34Å; M336-T338 PolarHBondContact O-N 3.08Å; M336-I339 PolarHBondContact O-N 2.85Å; M336-Q340 WeakPolarHBondContact O-CB 3.44Å; M336-Q340 VanDerWaalsContact O-CG 3.32Å; M336-Q340 WeakPolarHBondContact O-CG 3.31Å; M336-Q340 PolarHBondContact O-N 3.37Å
337Q93.7Very high90.3Very high66 Ų6660.1 Ų60.131%0.30834%0.336SS..Hα-helixtrans-61.1-44.1176.1-73.1169.110.400111.3Q332 T334 L335 I339 Q340 E341Q332-Q337 PolarHBondContact O-OE1 3.33Å; T334-Q337 WeakPolarHBondContact OG1-CB 3.32Å; T334-Q337 VanDerWaalsContact OG1-CG 3.25Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.33Å; T334-Q337 PolarHBondContact OG1-N 3.23Å; T334-Q337 VanDerWaalsContact OG1-N 3.1Å; L335-Q337 PolarHBondContact O-N 3.17Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 2.92Å; Q337-Q340 PolarHBondContact O-N 3.06Å; Q337-E341 WeakPolarHBondContact O-CB 3.3Å; Q337-E341 WeakPolarHBondContact O-CG 3.12Å; Q337-E341 PolarHBondContact O-N 3.45Å
338T95Very high89.2Confident26 Ų2666.3 Ų66.316%0.1637%0.366CS..Hα-helixtrans-60.5-44.4179-55.20000111.3A234 T334 L335 M336 R342A234-T338 HydrophobicContact CB-CG2 4.36Å; A234-T338 VanDerWaalsContact O-CG2 3.23Å; A234-T338 WeakPolarHBondContact O-CG2 3.39Å; T334-T338 WeakPolarHBondContact O-CB 3.47Å; T334-T338 PolarHBondContact O-N 3.26Å; T334-T338 PolarHBondContact O-OG1 3.35Å; L335-T338 PolarHBondContact O-N 2.67Å; M336-T338 VanDerWaalsContact C-N 3.34Å; M336-T338 PolarHBondContact O-N 3.08Å; T338-R342 WeakPolarHBondContact O-CG 3.38Å; T338-R342 PolarHBondContact O-N 3.13Å
339I94.1Very high87.7Confident1 Ų168.1 Ų68.11%0.00537%0.372CS..Hα-helixtrans-62.9-48.7177.1-66.5166.4000110.4L195 I230 L233 A234 W327 L335 M336 Q337 E341 R342 I343L195-I339 HydrophobicContact CD1-CG2 4.34Å; L195-I339 HydrophobicContact CD2-CB 4.46Å; L195-I339 HydrophobicContact CD2-CG2 3.83Å; I230-I339 HydrophobicContact CG2-CD1 4.32Å; L233-I339 HydrophobicContact CB-CD1 3.94Å; L233-I339 HydrophobicContact CB-CG1 3.83Å; L233-I339 HydrophobicContact CB-CG2 4.18Å; A234-I339 HydrophobicContact CB-CD1 4.37Å; A234-I339 HydrophobicContact CB-CG1 3.89Å; W327-I339 HydrophobicContact CH2-CD1 4.36Å; W327-I339 HydrophobicContact CZ3-CD1 4.09Å; L335-I339 VanDerWaalsContact O-CG1 3.22Å; L335-I339 WeakPolarHBondContact O-CG1 3.46Å; L335-I339 PolarHBondContact O-N 2.86Å; M336-I339 PolarHBondContact O-N 2.85Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 2.92Å; I339-E341 PolarHBondContact O-N 2.94Å; I339-R342 PolarHBondContact O-N 3.47Å; I339-I343 HydrophobicContact CG2-CD1 3.77Å; I339-I343 HydrophobicContact CG2-CG1 4.46Å; I339-I343 VanDerWaalsContact O-CG1 3.32Å; I339-I343 WeakPolarHBondContact O-CG1 3.33Å; I339-I343 PolarHBondContact O-N 2.9Å
340Q91.4Very high86.1Confident79 Ų7973.1 Ų73.137%0.36939%0.389SS..Hα-helixtrans-62-41.1180-73.9175.3-18.800112.2M336 Q337 I343 A344M336-Q340 WeakPolarHBondContact O-CB 3.44Å; M336-Q340 VanDerWaalsContact O-CG 3.32Å; M336-Q340 WeakPolarHBondContact O-CG 3.31Å; M336-Q340 PolarHBondContact O-N 3.37Å; Q337-Q340 PolarHBondContact O-N 3.06Å; Q340-I343 PolarHBondContact O-N 3.48Å; Q340-A344 WeakPolarHBondContact O-CB 3.39Å; Q340-A344 PolarHBondContact O-N 3.39Å
341E91.7Very high84.6Confident116 Ų11666.1 Ų66.154%0.54237%0.369SS..Hα-helixtrans-63.5-43.7175.9-76.1-179.1-177.600111.9Q337 I339 A344 Q345Q337-E341 WeakPolarHBondContact O-CB 3.3Å; Q337-E341 WeakPolarHBondContact O-CG 3.12Å; Q337-E341 PolarHBondContact O-N 3.45Å; I339-E341 PolarHBondContact O-N 2.94Å; E341-A344 PolarHBondContact O-N 2.98Å; E341-Q345 WeakPolarHBondContact O-CB 3.18Å; E341-Q345 VanDerWaalsContact O-CG 3.24Å; E341-Q345 WeakPolarHBondContact O-CG 3.35Å; E341-Q345 PolarHBondContact O-N 3.47Å
342R90.9Very high83Confident83 Ų8370.1 Ų70.131%0.31336%0.357SS..Hα-helixtrans-62.3-44.1176.1-73.3-176.578.3-158.717111.7A232 L233 D235 T338 I339 Q345 A346A232-R342 PolarHBondContact O-NH1 2.96Å; L233-R342 WeakPolarHBondContact O-CD 3.37Å; L233-R342 PolarHBondContact O-NH1 3.33Å; D235-R342 VanDerWaalsContact CB-CZ 3.46Å; D235-R342 IonicContact OD1-NH2 2.98Å; D235-R342 IonicContact OD2-NH2 3.52Å; T338-R342 WeakPolarHBondContact O-CG 3.38Å; T338-R342 PolarHBondContact O-N 3.13Å; I339-R342 PolarHBondContact O-N 3.47Å; R342-Q345 PolarHBondContact O-N 2.9Å; R342-A346 WeakPolarHBondContact O-CB 3.42Å; R342-A346 PolarHBondContact O-N 3.32Å
343I88.4Confident81.2Confident24 Ų2470 Ų7012%0.12336%0.356CS..Hα-helixtrans-59.8-47.3174.9-71.1171.2000110.5L197 P202 F203 I339 Q340 Q345 A346 S347L197-I343 HydrophobicContact CD2-CD1 4.44Å; P202-I343 HydrophobicContact CB-CG2 4.19Å; P202-I343 HydrophobicContact CG-CB 4.39Å; P202-I343 HydrophobicContact CG-CD1 4.11Å; P202-I343 HydrophobicContact CG-CG1 4.1Å; P202-I343 HydrophobicContact CG-CG2 3.45Å; P202-I343 VanDerWaalsContact CG-CG2 3.45Å; F203-I343 HydrophobicContact CD1-CD1 4.28Å; F203-I343 HydrophobicContact CE1-CD1 4.39Å; I339-I343 HydrophobicContact CG2-CD1 3.77Å; I339-I343 HydrophobicContact CG2-CG1 4.46Å; I339-I343 VanDerWaalsContact O-CG1 3.32Å; I339-I343 WeakPolarHBondContact O-CG1 3.33Å; I339-I343 PolarHBondContact O-N 2.9Å; Q340-I343 PolarHBondContact O-N 3.48Å; I343-Q345 PolarHBondContact O-N 3.38Å; I343-A346 PolarHBondContact O-N 3.25Å; I343-S347 PolarHBondContact O-N 3.38Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.27Å
344A87.1Confident79.1Confident47 Ų4774.8 Ų74.839%0.38836%0.363SS..Hα-helixtrans-63.6-41.418000000112.4Q340 E341 S347 Q348Q340-A344 WeakPolarHBondContact O-CB 3.39Å; Q340-A344 PolarHBondContact O-N 3.39Å; E341-A344 PolarHBondContact O-N 2.98Å; A344-S347 PolarHBondContact O-N 2.76Å; A344-Q348 WeakPolarHBondContact O-CG 3.27Å; A344-Q348 PolarHBondContact O-N 3.45Å; A344-Q348 VanDerWaalsContact O-N 3.16Å
345Q86.7Confident76.7Confident114 Ų11477.7 Ų77.753%0.53338%0.376SS..Hα-helixtrans-63.1-41.4176.8-74176.222.300112E341 R342 I343 Q348 Q349E341-Q345 WeakPolarHBondContact O-CB 3.18Å; E341-Q345 VanDerWaalsContact O-CG 3.24Å; E341-Q345 WeakPolarHBondContact O-CG 3.35Å; E341-Q345 PolarHBondContact O-N 3.47Å; R342-Q345 PolarHBondContact O-N 2.9Å; I343-Q345 PolarHBondContact O-N 3.38Å; Q345-Q348 PolarHBondContact O-N 3.06Å; Q345-Q349 WeakPolarHBondContact O-CG 3.37Å; Q345-Q349 PolarHBondContact O-N 2.9Å
346A82Confident74.7Confident14 Ų1481.9 Ų81.912%0.11640%0.403CS..Hα-helixtrans-63.4-47.417700000112.5I161 R342 I343 Q348 Q349 E350I161-A346 HydrophobicContact CB-CB 4.4Å; I161-A346 HydrophobicContact CD1-CB 3.28Å; I161-A346 HydrophobicContact CG1-CB 3.45Å; I161-A346 VanDerWaalsContact CG1-CB 3.45Å; I161-A346 HydrophobicContact CG2-CB 4.13Å; R342-A346 WeakPolarHBondContact O-CB 3.42Å; R342-A346 PolarHBondContact O-N 3.32Å; I343-A346 PolarHBondContact O-N 3.25Å; A346-Q348 VanDerWaalsContact C-N 3.28Å; A346-Q348 PolarHBondContact O-N 2.89Å; A346-Q349 PolarHBondContact O-N 2.98Å; A346-E350 PolarHBondContact O-N 3.48Å
347S76.9Confident72.9Confident63 Ų6391.1 Ų91.144%0.44144%0.437SS..Hα-helixtrans-61.8-33.8178.8-61.60000112.8I343 A344 G351I343-S347 PolarHBondContact O-N 3.38Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.27Å; A344-S347 PolarHBondContact O-N 2.76Å; S347-G351 PolarHBondContact O-N 3.45Å
348Q73Confident71.3Confident144 Ų14492.8 Ų92.867%0.67345%0.453SS*.Hα-helixtrans-68.8-32.6174.2-72.118018.400113.1A344 Q345 A346 G351 R352A344-Q348 WeakPolarHBondContact O-CG 3.27Å; A344-Q348 PolarHBondContact O-N 3.45Å; A344-Q348 VanDerWaalsContact O-N 3.16Å; Q345-Q348 PolarHBondContact O-N 3.06Å; A346-Q348 VanDerWaalsContact C-N 3.28Å; A346-Q348 PolarHBondContact O-N 2.89Å; Q348-G351 PolarHBondContact O-N 2.99Å; Q348-R352 PolarHBondContact O-N 2.85Å
349Q62.6Low69.6Low120 Ų12094.9 Ų94.956%0.56146%0.463SS*.Hα-helixtrans-72.6-36.7178.5-69.9-177.412.600112.3Q345 A346 G351 R352 H353Q345-Q349 WeakPolarHBondContact O-CG 3.37Å; Q345-Q349 PolarHBondContact O-N 2.9Å; A346-Q349 PolarHBondContact O-N 2.98Å; Q349-G351 VanDerWaalsContact C-N 3.34Å; Q349-G351 PolarHBondContact O-N 3.46Å; Q349-R352 WeakPolarHBondContact O-CB 3.45Å; Q349-R352 PolarHBondContact O-N 3.39Å; Q349-R352 VanDerWaalsContact O-N 3.15Å; Q349-H353 PolarHBondContact O-CD2 3.26Å; Q349-H353 VanDerWaalsContact O-CD2 3.28Å; Q349-H353 PolarHBondContact O-N 2.91Å; Q349-H353 VanDerWaalsContact O-N 3.15Å
350E55.9Low67.9Low129 Ų129100.8 Ų100.860%0.60349%0.485SS*.Hα-helixtrans-63.3-39.5171.9-73.2-165.6153.700112.2A346 R352 H353A346-E350 PolarHBondContact O-N 3.48Å; E350-R352 PolarHBondContact O-N 2.83Å; E350-H353 CarbonylContact O-C 3.57Å; E350-H353 WeakPolarHBondContact O-CA 3.33Å; E350-H353 PolarHBondContact O-N 3.03Å
351G54.5Low66.8Low50 Ų50103.6 Ų103.652%0.51549%0.493SS..Hα-helixtrans-59-31.217300000113.5S347 Q348 Q349S347-G351 PolarHBondContact O-N 3.45Å; Q348-G351 PolarHBondContact O-N 2.99Å; Q349-G351 VanDerWaalsContact C-N 3.34Å; Q349-G351 PolarHBondContact O-N 3.46Å
352R50.9Low65.2Low172 Ų172100.4 Ų100.465%0.64948%0.479SS*.Hα-helixtrans-75.4-27.2172.3-76.6-179168.1165.20.7112.7Q348 Q349 E350 R354 N363Q348-R352 PolarHBondContact O-N 2.85Å; Q349-R352 WeakPolarHBondContact O-CB 3.45Å; Q349-R352 PolarHBondContact O-N 3.39Å; Q349-R352 VanDerWaalsContact O-N 3.15Å; E350-R352 PolarHBondContact O-N 2.83Å; R352-R354 PolarHBondContact O-N 3.02Å; R352-N363 PolarHBondContact O-ND2 3.3Å
353H48.6Very low63.6Low101 Ų10198.7 Ų98.747%0.46848%0.476SS..THydrogen-bonded Turntrans-89.142.3173.2-67.2-56.5000112.6Q349 E350 F355Q349-H353 PolarHBondContact O-CD2 3.26Å; Q349-H353 VanDerWaalsContact O-CD2 3.28Å; Q349-H353 PolarHBondContact O-N 2.91Å; Q349-H353 VanDerWaalsContact O-N 3.15Å; E350-H353 CarbonylContact O-C 3.57Å; E350-H353 WeakPolarHBondContact O-CA 3.33Å; E350-H353 PolarHBondContact O-N 3.03Å; H353-F355 PolarHBondContact O-N 3.28Å
354R48.5Very low62.2Low193 Ų193108.2 Ų108.273%0.72851%0.511SS*.  trans-56.7-12.3-174.8-148.4172.9-176.2173.72.6115.8R352R352-R354 PolarHBondContact O-N 3.02Å
355F46.5Very low60.8Low61 Ų61113.2 Ų113.227%0.26852%0.524SS..SBendtrans-125136-179.1-69.5-74.1000112.4H353 L359 R360 L362 N363 I366H353-F355 PolarHBondContact O-N 3.28Å; F355-L359 HydrophobicContact CB-CB 3.74Å; F355-L359 HydrophobicContact CD1-CB 4.19Å; F355-L359 HydrophobicContact CD1-CD1 4.45Å; F355-L359 HydrophobicContact CG-CB 4.23Å; F355-R360 WeakPolarHBondContact O-CG 3.38Å; F355-L362 HydrophobicContact CD1-CD1 4.22Å; F355-L362 HydrophobicContact CD2-CB 3.98Å; F355-L362 HydrophobicContact CE1-CD1 4.14Å; F355-L362 HydrophobicContact CE2-CB 3.99Å; F355-L362 HydrophobicContact CG-CB 4.47Å; F355-L362 HydrophobicContact CG-CD1 4.49Å; F355-L362 HydrophobicContact CZ-CB 4.48Å; F355-L362 HydrophobicContact CZ-CD1 4.33Å; F355-N363 WeakPolarHBondContact CD2-OD1 3.38Å; F355-I366 HydrophobicContact CE2-CD1 4.18Å
356P55.8Low59.3Low88 Ų88112.1 Ų112.157%0.57152%0.521SS*.  trans-59.2158.117522.2-30.6000111.5P358 L359 R360P356-P358 VanDerWaalsContact C-CD 3.41Å; P356-P358 WeakPolarHBondContact O-CD 3.47Å; P356-L359 HydrophobicContact CG-CD1 4.38Å; P356-L359 WeakPolarHBondContact O-CA 3.42Å; P356-L359 PolarHBondContact O-N 2.82Å; P356-R360 PolarHBondContact O-N 3.3Å
357W57.8Low57.6Low223 Ų223117.1 Ų117.185%0.84555%0.552SS**G310 helixtrans-40.1-45.4-168.4-176.739.9000116.8L359W357-L359 PolarHBondContact O-N 3.42Å
358P58.7Low56Low100 Ų100124.4 Ų124.465%0.64959%0.586SS**G310 helixtrans-71.2-13.3178.526.3-33.6000115P356P356-P358 VanDerWaalsContact C-CD 3.41Å; P356-P358 WeakPolarHBondContact O-CD 3.47Å
359L60.3Low55.2Low70 Ų70123.4 Ų123.437%0.36658%0.582SS.*G310 helixtrans-111.42.9-177.2-70.4172.5000113.3F355 P356 W357 W361 L362F355-L359 HydrophobicContact CB-CB 3.74Å; F355-L359 HydrophobicContact CD1-CB 4.19Å; F355-L359 HydrophobicContact CD1-CD1 4.45Å; F355-L359 HydrophobicContact CG-CB 4.23Å; P356-L359 HydrophobicContact CG-CD1 4.38Å; P356-L359 WeakPolarHBondContact O-CA 3.42Å; P356-L359 PolarHBondContact O-N 2.82Å; W357-L359 PolarHBondContact O-N 3.42Å; L359-W361 PolarHBondContact O-N 3.04Å; L359-L362 HydrophobicContact CB-CD1 4.13Å; L359-L362 HydrophobicContact CD2-CD1 3.79Å; L359-L362 HydrophobicContact CG-CD1 4.44Å; L359-L362 WeakPolarHBondContact O-CB 3.47Å; L359-L362 PolarHBondContact O-N 2.77Å
360R57.3Low54.8Low125 Ų125123.6 Ų123.647%0.47258%0.583SS.*G310 helixtrans-56.8-23.2178.3-81.7-174.7173.5-178.9-3.1114.1F355 P356 L362 N363F355-R360 WeakPolarHBondContact O-CG 3.38Å; P356-R360 PolarHBondContact O-N 3.3Å; R360-L362 PolarHBondContact O-N 3.47Å; R360-N363 WeakPolarHBondContact O-CB 3.41Å; R360-N363 PolarHBondContact O-N 2.81Å
361W69Low54.7Low138 Ų138123.3 Ų123.352%0.52358%0.582SS.*G310 helixtrans-64.9-20.717570.3-88.7000113.4L359 N363 W364 F365L359-W361 PolarHBondContact O-N 3.04Å; W361-N363 VanDerWaalsContact C-N 3.25Å; W361-N363 PolarHBondContact O-N 3.05Å; W361-W364 PolarHBondContact O-N 2.79Å; W361-F365 HydrophobicContact CE3-CD2 4.28Å; W361-F365 AromaticContact CE3-CE2 3.86Å; W361-F365 HydrophobicContact CE3-CE2 3.86Å; W361-F365 HydrophobicContact CZ3-CD2 4.16Å; W361-F365 AromaticContact CZ3-CE2 3.7Å; W361-F365 HydrophobicContact CZ3-CE2 3.7Å
362L58.1Low54.7Low50 Ų50127.6 Ų127.626%0.26259%0.586SS.*G310 helixtrans-69.4-22.2175.8-72.3166.9000112.9F355 L359 R360 W364 F365F355-L362 HydrophobicContact CD1-CD1 4.22Å; F355-L362 HydrophobicContact CD2-CB 3.98Å; F355-L362 HydrophobicContact CE1-CD1 4.14Å; F355-L362 HydrophobicContact CE2-CB 3.99Å; F355-L362 HydrophobicContact CG-CB 4.47Å; F355-L362 HydrophobicContact CG-CD1 4.49Å; F355-L362 HydrophobicContact CZ-CB 4.48Å; F355-L362 HydrophobicContact CZ-CD1 4.33Å; L359-L362 HydrophobicContact CB-CD1 4.13Å; L359-L362 HydrophobicContact CD2-CD1 3.79Å; L359-L362 HydrophobicContact CG-CD1 4.44Å; L359-L362 WeakPolarHBondContact O-CB 3.47Å; L359-L362 PolarHBondContact O-N 2.77Å; R360-L362 PolarHBondContact O-N 3.47Å; L362-W364 PolarHBondContact O-N 3.06Å; L362-F365 PolarHBondContact O-N 3.31Å; L362-F365 VanDerWaalsContact O-N 3.11Å
363N57.4Low55Low46 Ų46124.8 Ų124.825%0.24658%0.582CS.*G310 helixtrans-62.7-20174.3-78.2-7.9000112.8R352 F355 R360 W361 F365R352-N363 PolarHBondContact O-ND2 3.3Å; F355-N363 WeakPolarHBondContact CD2-OD1 3.38Å; R360-N363 WeakPolarHBondContact O-CB 3.41Å; R360-N363 PolarHBondContact O-N 2.81Å; W361-N363 VanDerWaalsContact C-N 3.25Å; W361-N363 PolarHBondContact O-N 3.05Å; N363-F365 VanDerWaalsContact C-N 3.26Å; N363-F365 PolarHBondContact O-N 3.13Å
364W59.2Low55.4Low224 Ų224126.4 Ų126.485%0.84859%0.589SS**G310 helixtrans-73.5-15176-68.7-14.4000114.1W361 L362W361-W364 PolarHBondContact O-N 2.79Å; L362-W364 PolarHBondContact O-N 3.06Å
365F57.8Low55.9Low153 Ų153121.6 Ų121.667%0.67158%0.579SS**G310 helixtrans-102-0.3-177.1-70.8-78.4000113.9W361 L362 N363W361-F365 HydrophobicContact CE3-CD2 4.28Å; W361-F365 AromaticContact CE3-CE2 3.86Å; W361-F365 HydrophobicContact CE3-CE2 3.86Å; W361-F365 HydrophobicContact CZ3-CD2 4.16Å; W361-F365 AromaticContact CZ3-CE2 3.7Å; W361-F365 HydrophobicContact CZ3-CE2 3.7Å; L362-F365 PolarHBondContact O-N 3.31Å; L362-F365 VanDerWaalsContact O-N 3.11Å; N363-F365 VanDerWaalsContact C-N 3.26Å; N363-F365 PolarHBondContact O-N 3.13Å
366I54.3Low56.6Low91 Ų91126.3 Ų126.347%0.46760%0.603SS.*SBendtrans-109.2116.6178.1-53176.7000108F355F355-I366 HydrophobicContact CE2-CD1 4.18Å
367P45.8Very low56.7Low118 Ų118129.5 Ų129.577%0.76661%0.606SS**  trans-69.9140.6175.118.3-12.5000110.3
368N44.9Very low56.6Low216 Ų216121 Ų121100%1.15558%0.584SS**  trans-48.70-179.6-82.4-23.9000114.3

Retrieved 368 of 368 residues in 174.1 ms (Link to these results)

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