A0A3Q0KR29_SCHMA Loading...

ADP-ribosylation factor-like protein 3

AlphaFold DB , UniProt , Accession A0A3Q0KR29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 184 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
1M58.3Low63.4Low202 Ų202132.5 Ų132.5100%0.99565%0.649SS**  0103.80-74.5-76.7-99.200107.7
2G77.8Confident63.2Low43 Ų43130 Ų13044%0.44365%0.654SS.*  trans-97.8161.6-170.700000113.8L4 S5 L6G2-L4 PolarHBondContact O-N 3.37Å; G2-L4 VanDerWaalsContact O-N 3.11Å; G2-S5 PolarHBondContact N-OG 3.11Å; G2-S5 WeakPolarHBondContact O-CB 3.37Å; G2-S5 PolarHBondContact O-N 2.83Å; G2-S5 PolarHBondContact O-OG 3.12Å; G2-L6 PolarHBondContact O-N 3.15Å
3L72.6Confident62.8Low128 Ų128132.6 Ų132.667%0.6766%0.658SS**Hα-helixtrans-51.1-34.3176.2-17961.8000113S5 L6 L7L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 2.85Å; L3-L6 CarbonylContact O-C 3.6Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.45Å; L3-L6 VanDerWaalsContact O-N 3.12Å; L3-L7 HydrophobicContact CG-CD1 4.3Å; L3-L7 HydrophobicContact CG-CG 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.12Å
4L65.8Low62.7Low148 Ų148131.1 Ų131.178%0.77566%0.663SS**Hα-helixtrans-58.6-38.2173.1-86.6140.3000113.4G2 L6 L7 R8G2-L4 PolarHBondContact O-N 3.37Å; G2-L4 VanDerWaalsContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L7 PolarHBondContact O-N 2.92Å; L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 3.47Å
5S65.4Low63.3Low44 Ų44129.1 Ų129.131%0.30865%0.65SS.*Hα-helixtrans-71.9-30176.367.20000112.4G2 L3 R9G2-S5 PolarHBondContact N-OG 3.11Å; G2-S5 WeakPolarHBondContact O-CB 3.37Å; G2-S5 PolarHBondContact O-N 2.83Å; G2-S5 PolarHBondContact O-OG 3.12Å; L3-S5 VanDerWaalsContact C-N 3.31Å; L3-S5 PolarHBondContact O-N 2.85Å; S5-R9 WeakPolarHBondContact O-CG 3.4Å; S5-R9 PolarHBondContact O-N 3.4Å; S5-R9 VanDerWaalsContact O-N 3.15Å
6L59.4Low64.7Low100 Ų100125.4 Ų125.452%0.52463%0.63SS.*Hα-helixtrans-69.7-46.3170.5-82.7152.4000111.2G2 L3 L4 R8 R9 L10G2-L6 PolarHBondContact O-N 3.15Å; L3-L6 CarbonylContact O-C 3.6Å; L3-L6 WeakPolarHBondContact O-CB 3.49Å; L3-L6 PolarHBondContact O-N 3.45Å; L3-L6 VanDerWaalsContact O-N 3.12Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.84Å; L6-R9 CarbonylContact O-C 3.56Å; L6-R9 WeakPolarHBondContact O-CB 3.36Å; L6-R9 PolarHBondContact O-N 2.65Å; L6-R9 VanDerWaalsContact O-N 3.12Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.38Å
7L62.5Low66.3Low93 Ų93124.3 Ų124.349%0.48762%0.622SS.*Hα-helixtrans-61.4-37.1175.2-72.7171000112.2L3 L4 R9 L10 K11L3-L7 HydrophobicContact CG-CD1 4.3Å; L3-L7 HydrophobicContact CG-CG 4.47Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.12Å; L4-L7 PolarHBondContact O-N 2.92Å; L7-R9 VanDerWaalsContact C-N 3.33Å; L7-L10 HydrophobicContact CD2-CD1 4.39Å; L7-L10 CarbonylContact O-C 3.55Å; L7-L10 PolarHBondContact O-N 2.87Å; L7-K11 PolarHBondContact O-N 3.23Å
8R60.2Low67.9Low207 Ų207117.4 Ų117.478%0.78159%0.588SS**Hα-helixtrans-70.8-29.1176.4-150.5177.3-167.9171.73.4112.5L4 L6L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 3.47Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.84Å
9R58.5Low69.4Low194 Ų194113.2 Ų113.273%0.73256%0.564SS**Hα-helixtrans-75.8-29.3169.1-73.4178.4179.4-160.5-0.5112.5S5 L6 L7S5-R9 WeakPolarHBondContact O-CG 3.4Å; S5-R9 PolarHBondContact O-N 3.4Å; S5-R9 VanDerWaalsContact O-N 3.15Å; L6-R9 CarbonylContact O-C 3.56Å; L6-R9 WeakPolarHBondContact O-CB 3.36Å; L6-R9 PolarHBondContact O-N 2.65Å; L6-R9 VanDerWaalsContact O-N 3.12Å; L7-R9 VanDerWaalsContact C-N 3.33Å
10L59.5Low70.9Confident134 Ų134107.6 Ų107.670%0.70254%0.536SS*.Hα-helixtrans-77.5-23174-74.8168.6000113.2L6 L7 S12L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 3.38Å; L7-L10 HydrophobicContact CD2-CD1 4.39Å; L7-L10 CarbonylContact O-C 3.55Å; L7-L10 PolarHBondContact O-N 2.87Å; L10-S12 VanDerWaalsContact C-N 3.26Å; L10-S12 PolarHBondContact O-N 2.73Å
11K57.7Low72.2Confident165 Ų165102.5 Ų102.572%0.71751%0.511SS*.SBendtrans-63.497.5161.6-76.8-168.9176.9-170.80106.3L7 K13L7-K11 PolarHBondContact O-N 3.23Å; K11-K13 PolarHBondContact O-N 2.86Å
12S60.6Low74.2Confident102 Ų10293 Ų9371%0.71346%0.464SS*.  trans-42.3136.816949.10000108.4L10 P14L10-S12 VanDerWaalsContact C-N 3.26Å; L10-S12 PolarHBondContact O-N 2.73Å; S12-P14 VanDerWaalsContact O-N 3.12Å
13K58.3Low75.2Confident164 Ų16490.9 Ų90.971%0.71344%0.443SS*.PPolyproline II helixtrans-47.2126.9172.4-171.6-176.7179.6-1680106.4K11 E15K11-K13 PolarHBondContact O-N 2.86Å; K13-E15 PolarHBondContact O-N 2.78Å; K13-E15 VanDerWaalsContact O-N 3.17Å
14P61.1Low76.4Confident111 Ų11184.8 Ų84.872%0.72141%0.411SS*.PPolyproline II helixtrans-52.2129.8-177.919.1-30.2000108.3S12 Q16S12-P14 VanDerWaalsContact O-N 3.12Å; P14-Q16 PolarHBondContact O-N 3.38Å
15E72.4Confident78Confident101 Ų10178 Ų7847%0.47238%0.376SS..PPolyproline II helixtrans-54.1129.1178.2-73.3-179.8166.800108.3K13 E17 Q57K13-E15 PolarHBondContact O-N 2.78Å; K13-E15 VanDerWaalsContact O-N 3.17Å; E15-E17 PolarHBondContact O-N 3.25Å; E15-Q57 PolarHBondContact OE2-NE2 2.76Å; E15-Q57 PolarHBondContact OE2-OE1 3.17Å
16Q85.7Confident79.5Confident71 Ų7178.4 Ų78.433%0.33237%0.374SS..EExtended strand (participates in β ladder)trans-74.2116.8176.9-70-177.1-83.700107.5P14 F61 K62P14-Q16 PolarHBondContact O-N 3.38Å; Q16-F61 HydrophobicContact CB-CD1 3.56Å; Q16-F61 HydrophobicContact CB-CE1 3.53Å; Q16-F61 HydrophobicContact CG-CE1 4.29Å; Q16-F61 WeakPolarHBondContact O-CA 3.37Å; Q16-F61 WeakPolarHBondContact O-CD1 3.47Å; Q16-K62 PolarHBondContact O-N 2.84Å; Q16-K62 VanDerWaalsContact O-N 3.11Å
17E92Very high81.4Confident106 Ų10679 Ų7950%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-83136175.3-56.7-156.6167.500109.9E15 K62 N64E15-E17 PolarHBondContact O-N 3.25Å; E17-K62 CarbonylContact C-O 3.58Å; E17-K62 WeakPolarHBondContact CA-O 3.39Å; E17-K62 HydrophobicContact CG-CB 4.27Å; E17-K62 HydrophobicContact CG-CD 4.24Å; E17-K62 WeakPolarHBondContact OE1-CD 3.32Å; E17-K62 IonicContact OE1-NZ 2.73Å; E17-K62 PolarHBondContact OE1-NZ 3.37Å; E17-K62 IonicContact OE2-NZ 2.78Å; E17-N64 PolarHBondContact OE2-ND2 3.27Å
18I94.7Very high83.1Confident1 Ų174.7 Ų74.71%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-118.7120.8176.4-58.8173.4000107.7I20 F61 K62 L63 N64 D86 I87 V177I18-I20 HydrophobicContact CG2-CD1 4.45Å; I18-I20 HydrophobicContact CG2-CG1 3.86Å; I18-I20 PolarHBondContact O-N 2.85Å; I18-F61 HydrophobicContact CD1-CB 3.93Å; I18-F61 HydrophobicContact CD1-CD1 3.39Å; I18-F61 HydrophobicContact CD1-CE1 4.11Å; I18-F61 HydrophobicContact CD1-CG 3.79Å; I18-F61 HydrophobicContact CG1-CB 4.48Å; I18-F61 HydrophobicContact CG1-CD1 3.83Å; I18-K62 PolarHBondContact N-O 2.85Å; I18-L63 HydrophobicContact CB-CD2 3.98Å; I18-L63 HydrophobicContact CD1-CD2 3.73Å; I18-L63 HydrophobicContact CG1-CD2 4.25Å; I18-N64 PolarHBondContact O-N 2.84Å; I18-D86 HydrophobicContact CG2-CB 3.95Å; I18-I87 HydrophobicContact CG2-CG1 4.13Å; I18-V177 HydrophobicContact CD1-CB 4.01Å; I18-V177 HydrophobicContact CD1-CG1 4.08Å; I18-V177 HydrophobicContact CD1-CG2 3.76Å; I18-V177 HydrophobicContact CG1-CB 4.47Å; I18-V177 HydrophobicContact CG1-CG1 4.1Å; I18-V177 HydrophobicContact CG1-CG2 4.08Å; I18-V177 HydrophobicContact CG2-CG2 3.86Å
19R97Very high84.9Confident37 Ų3765.4 Ų65.414%0.1432%0.324CS..EExtended strand (participates in β ladder)trans-84.5112.3172.5-175.1170-179.8-74.5-1.8110.1Y81 E83 N84 T85 D86 I87R19-Y81 PolarHBondContact NH1-O 3.11Å; R19-Y81 VanDerWaalsContact NH1-O 3.1Å; R19-Y81 PolarHBondContact NH2-O 3.21Å; R19-E83 VanDerWaalsContact CZ-O 3.23Å; R19-E83 PolarHBondContact NH1-O 3.25Å; R19-N84 VanDerWaalsContact CD-O 3.32Å; R19-N84 WeakPolarHBondContact CD-O 3.38Å; R19-T85 PolarHBondContact NH1-OG1 2.94Å; R19-D86 PolarHBondContact N-OD2 3.16Å; R19-D86 WeakPolarHBondContact O-CB 3.48Å; R19-D86 PolarHBondContact O-N 3.31Å; R19-I87 PolarHBondContact O-N 3.04Å
20I98.6Very high86.8Confident1 Ų156.8 Ų56.81%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-105.6127.8179.6-61.3-175.2000109.2I18 L63 N64 V65 W66 I87 I89 V173I18-I20 HydrophobicContact CG2-CD1 4.45Å; I18-I20 HydrophobicContact CG2-CG1 3.86Å; I18-I20 PolarHBondContact O-N 2.85Å; I20-L63 HydrophobicContact CD1-CB 3.96Å; I20-L63 HydrophobicContact CD1-CD1 4.16Å; I20-L63 HydrophobicContact CD1-CD2 4.18Å; I20-L63 HydrophobicContact CD1-CG 4.32Å; I20-N64 PolarHBondContact N-O 3.24Å; I20-V65 HydrophobicContact CB-CG2 4.21Å; I20-V65 HydrophobicContact CD1-CG2 4.34Å; I20-V65 HydrophobicContact CG2-CG1 4.25Å; I20-V65 HydrophobicContact CG2-CG2 4.5Å; I20-V65 WeakPolarHBondContact O-CA 3.21Å; I20-W66 PolarHBondContact O-N 3.23Å; I20-I87 WeakPolarHBondContact CA-O 3.34Å; I20-I87 HydrophobicContact CG1-CB 4.47Å; I20-I89 HydrophobicContact CD1-CD1 4.35Å; I20-I89 HydrophobicContact CG2-CB 4.34Å; I20-I89 HydrophobicContact CG2-CD1 3.45Å; I20-I89 VanDerWaalsContact CG2-CD1 3.45Å; I20-I89 HydrophobicContact CG2-CG1 3.59Å; I20-V173 HydrophobicContact CD1-CG1 3.92Å
21L98.8Very high88.7Confident0 Ų051.8 Ų51.80%027%0.267CS..EExtended strand (participates in β ladder)trans-99.5122.1169.5-17562000109.4L23 W66 I68 F82 T85 I87 L88 I89 L116L21-L23 HydrophobicContact CD1-CD2 4.27Å; L21-L23 HydrophobicContact CD1-CG 4.46Å; L21-L23 HydrophobicContact CD2-CD1 3.83Å; L21-L23 HydrophobicContact CD2-CG 4.24Å; L21-L23 HydrophobicContact CG-CD1 4.1Å; L21-L23 HydrophobicContact CG-CD2 4.28Å; L21-L23 HydrophobicContact CG-CG 3.93Å; L21-W66 HydrophobicContact CD1-CB 4.03Å; L21-I68 HydrophobicContact CD1-CD1 4.29Å; L21-I68 HydrophobicContact CD1-CG1 3.81Å; L21-F82 HydrophobicContact CD2-CD1 3.63Å; L21-F82 HydrophobicContact CD2-CE1 4.14Å; L21-T85 HydrophobicContact CB-CG2 3.56Å; L21-I87 PolarHBondContact N-O 3.27Å; L21-L88 HydrophobicContact CB-CD1 4.39Å; L21-L88 HydrophobicContact CD2-CD1 4.35Å; L21-L88 HydrophobicContact CG-CD1 4.37Å; L21-I89 PolarHBondContact O-N 2.92Å; L21-L116 HydrophobicContact CD2-CD2 4.49Å
22L98.9Very high90.6Very high2 Ų244.8 Ų44.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-110.2106.6-175.9178.365.4000110.4K30 L33 L34 V65 W66 D67 I68 I89 V91L22-K30 HydrophobicContact CD1-CB 4.46Å; L22-K30 HydrophobicContact CD1-CG 4.37Å; L22-K30 HydrophobicContact CD2-CB 3.9Å; L22-K30 HydrophobicContact CG-CB 3.96Å; L22-K30 HydrophobicContact CG-CD 4.31Å; L22-K30 HydrophobicContact CG-CG 4.18Å; L22-L33 HydrophobicContact CD1-CD2 4.38Å; L22-L34 HydrophobicContact CD2-CB 4.22Å; L22-V65 HydrophobicContact CB-CG1 3.85Å; L22-V65 HydrophobicContact CD2-CG1 4.01Å; L22-W66 PolarHBondContact N-O 3.45Å; L22-D67 HydrophobicContact CD2-CB 4.09Å; L22-I68 PolarHBondContact O-N 3.49Å; L22-I89 WeakPolarHBondContact CA-O 3.36Å; L22-I89 HydrophobicContact CD1-CB 3.74Å; L22-I89 HydrophobicContact CD1-CG2 3.41Å; L22-I89 VanDerWaalsContact CD1-CG2 3.41Å; L22-V91 HydrophobicContact CD1-CG2 3.54Å
23L98.9Very high92.4Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-124.9174.7-175.3-60-178.2000112.2L21 K30 I68 W78 F82 L88 I89 Y90 V91 L110L21-L23 HydrophobicContact CD1-CD2 4.27Å; L21-L23 HydrophobicContact CD1-CG 4.46Å; L21-L23 HydrophobicContact CD2-CD1 3.83Å; L21-L23 HydrophobicContact CD2-CG 4.24Å; L21-L23 HydrophobicContact CG-CD1 4.1Å; L21-L23 HydrophobicContact CG-CD2 4.28Å; L21-L23 HydrophobicContact CG-CG 3.93Å; L23-K30 VanDerWaalsContact O-CD 3.29Å; L23-K30 WeakPolarHBondContact O-CD 3.3Å; L23-I68 HydrophobicContact CD2-CB 3.63Å; L23-I68 HydrophobicContact CD2-CG1 3.64Å; L23-I68 HydrophobicContact CD2-CG2 4.41Å; L23-W78 HydrophobicContact CD1-CB 4.47Å; L23-W78 HydrophobicContact CD1-CD2 4.21Å; L23-W78 HydrophobicContact CD1-CE3 4.2Å; L23-W78 HydrophobicContact CD1-CG 4.4Å; L23-W78 HydrophobicContact CD2-CB 4.45Å; L23-W78 HydrophobicContact CD2-CD2 3.95Å; L23-W78 HydrophobicContact CD2-CG 3.88Å; L23-F82 HydrophobicContact CD1-CE1 4.06Å; L23-L88 HydrophobicContact CB-CD1 4.4Å; L23-L88 HydrophobicContact CD1-CD1 3.96Å; L23-L88 HydrophobicContact CG-CD1 4.19Å; L23-I89 PolarHBondContact N-O 2.67Å; L23-Y90 HydrophobicContact CB-CD2 4Å; L23-Y90 HydrophobicContact CB-CE2 4.36Å; L23-Y90 CarbonylContact O-C 3.55Å; L23-Y90 WeakPolarHBondContact O-CA 3.45Å; L23-V91 PolarHBondContact O-N 3Å; L23-L110 HydrophobicContact CB-CD1 4.23Å; L23-L110 HydrophobicContact CD1-CD1 3.7Å; L23-L110 HydrophobicContact CD1-CD2 3.57Å; L23-L110 HydrophobicContact CD1-CG 4.31Å
24G98.8Very high94.3Very high0 Ų032.3 Ų32.30%017%0.171CC..  trans132.9164.4-173.900000111.5K30 G70G24-K30 WeakPolarHBondContact O-CE 3.35Å; G24-K30 PolarHBondContact O-NZ 2.89Å; G24-G70 VanDerWaalsContact O-CA 3.32Å; G24-G70 WeakPolarHBondContact O-CA 2.99Å
25L98.7Very high96Very high6 Ų629.1 Ų29.13%0.03115%0.146CC..  trans-59.9161.2-177.9-49.6-171000112.4A28 K30 R75 R99 E102 E106L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.22Å; L25-A28 PolarHBondContact O-N 3.12Å; L25-K30 PolarHBondContact O-NZ 3.47Å; L25-R75 VanDerWaalsContact CD2-CZ 3.44Å; L25-R99 HydrophobicContact CD1-CB 3.91Å; L25-E102 HydrophobicContact CD1-CB 4.3Å; L25-E102 HydrophobicContact CD1-CG 4.05Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 3.94Å
26D98.1Very high97.2Very high52 Ų5227.2 Ų27.228%0.27814%0.137SC..THydrogen-bonded Turntrans-57.6149.6167.957.7-72.8000111.2A28 G70 Q71 R75 R99D26-A28 PolarHBondContact O-N 3.08Å; D26-A28 VanDerWaalsContact O-N 3.1Å; D26-G70 VanDerWaalsContact N-C 3.35Å; D26-G70 PolarHBondContact N-O 3.38Å; D26-Q71 HydrophobicContact CB-CG 3.98Å; D26-R75 IonicContact OD1-NH2 2.67Å; D26-R99 PolarHBondContact O-NH1 3.39Å; D26-R99 PolarHBondContact O-NH2 2.78Å; D26-R99 IonicContact OD1-NH1 2.76Å; D26-R99 PolarHBondContact OD1-NH1 2.84Å; D26-R99 IonicContact OD2-NH1 3.19Å; D26-R99 PolarHBondContact OD2-NH1 2.8Å
27N97.7Very high97.6Very high113 Ų11325.5 Ų25.560%0.60413%0.13SC*.THydrogen-bonded Turntrans64.30.8-174.4-164.743.8000115.9G29 K127N27-G29 PolarHBondContact O-N 3.5Å; N27-G29 VanDerWaalsContact O-N 3.15Å; N27-K127 PolarHBondContact ND2-NZ 3.36Å; N27-K127 WeakPolarHBondContact O-CE 3.4Å; N27-K127 PolarHBondContact O-NZ 3.09Å
28A98.5Very high97.8Very high2 Ų221.9 Ų21.92%0.01712%0.118CC..SBendtrans-64.4-18.6177.400000114.5L25 D26 V91 N126L25-A28 VanDerWaalsContact O-CB 3.25Å; L25-A28 WeakPolarHBondContact O-CB 3.22Å; L25-A28 PolarHBondContact O-N 3.12Å; D26-A28 PolarHBondContact O-N 3.08Å; D26-A28 VanDerWaalsContact O-N 3.1Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 VanDerWaalsContact CB-O 3.29Å; A28-V91 WeakPolarHBondContact CB-O 3.5Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; A28-N126 PolarHBondContact O-ND2 2.77Å
29G98.5Very high97.7Very high12 Ų1227.4 Ų27.412%0.12416%0.157CC..SBendtrans98.919.317800000115.3N27 T32 L33N27-G29 PolarHBondContact O-N 3.5Å; N27-G29 VanDerWaalsContact O-N 3.15Å; G29-T32 PolarHBondContact O-N 2.81Å; G29-L33 WeakPolarHBondContact O-CB 3.33Å; G29-L33 PolarHBondContact O-N 2.88Å
30K98.7Very high97.6Very high12 Ų1229.3 Ų29.35%0.05217%0.167CC..Hα-helixtrans-53.4-55176.7-62.8-175.5-57.8-71.80113.2L22 L23 G24 L25 T32 L33 L34 D67 I68 V91L22-K30 HydrophobicContact CD1-CB 4.46Å; L22-K30 HydrophobicContact CD1-CG 4.37Å; L22-K30 HydrophobicContact CD2-CB 3.9Å; L22-K30 HydrophobicContact CG-CB 3.96Å; L22-K30 HydrophobicContact CG-CD 4.31Å; L22-K30 HydrophobicContact CG-CG 4.18Å; L23-K30 VanDerWaalsContact O-CD 3.29Å; L23-K30 WeakPolarHBondContact O-CD 3.3Å; G24-K30 WeakPolarHBondContact O-CE 3.35Å; G24-K30 PolarHBondContact O-NZ 2.89Å; L25-K30 PolarHBondContact O-NZ 3.47Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 2.67Å; K30-L33 WeakPolarHBondContact O-CB 3.39Å; K30-L33 PolarHBondContact O-N 3.11Å; K30-L33 VanDerWaalsContact O-N 3.16Å; K30-L34 PolarHBondContact O-N 3.48Å; K30-D67 WeakPolarHBondContact CB-OD1 3.47Å; K30-I68 WeakPolarHBondContact CE-O 3.34Å; K30-V91 HydrophobicContact CG-CB 3.81Å; K30-V91 HydrophobicContact CG-CG2 3.79Å
31T98.4Very high97.4Very high30 Ų3034.1 Ų34.118%0.18419%0.193CC..Hα-helixtrans-65.2-35.9-179.3-490000111.9L34 K35 T45 T48 D67T31-L34 PolarHBondContact O-N 2.78Å; T31-K35 HydrophobicContact CG2-CD 4.38Å; T31-K35 WeakPolarHBondContact O-CB 3.06Å; T31-K35 WeakPolarHBondContact O-CG 3.39Å; T31-K35 PolarHBondContact O-N 2.79Å; T31-T45 HydrophobicContact CG2-CG2 4.08Å; T31-T48 PolarHBondContact OG1-OG1 2.77Å; T31-D67 WeakPolarHBondContact CA-OD2 3.49Å; T31-D67 WeakPolarHBondContact CB-OD2 3.43Å; T31-D67 PolarHBondContact OG1-OD2 3.33Å
32T98.5Very high97.2Very high18 Ų1836.3 Ų36.311%0.1120%0.204CC..Hα-helixtrans-62.9-44.7172.8-500000111.2G29 K30 K35 H36 I42 A160 I161G29-T32 PolarHBondContact O-N 2.81Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 2.67Å; T32-K35 PolarHBondContact O-N 3.33Å; T32-H36 WeakPolarHBondContact O-CB 3.41Å; T32-H36 PolarHBondContact O-N 2.91Å; T32-I42 HydrophobicContact CG2-CB 4.09Å; T32-I42 HydrophobicContact CG2-CG2 4.24Å; T32-A160 HydrophobicContact CG2-CB 3.84Å; T32-I161 HydrophobicContact CG2-CG2 4.12Å
33L98.5Very high96.8Very high2 Ų241.2 Ų41.21%0.0124%0.235CC..Hα-helixtrans-60.2-46.8176.1-177.268.5000110.9L22 G29 K30 H36 L37 V91 F124 A160 V166L22-L33 HydrophobicContact CD1-CD2 4.38Å; G29-L33 WeakPolarHBondContact O-CB 3.33Å; G29-L33 PolarHBondContact O-N 2.88Å; K30-L33 WeakPolarHBondContact O-CB 3.39Å; K30-L33 PolarHBondContact O-N 3.11Å; K30-L33 VanDerWaalsContact O-N 3.16Å; L33-H36 WeakPolarHBondContact O-CB 3.5Å; L33-H36 PolarHBondContact O-N 2.92Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.42Å; L33-V91 HydrophobicContact CD2-CG2 4.02Å; L33-F124 HydrophobicContact CD2-CD2 3.68Å; L33-F124 HydrophobicContact CD2-CE2 3.97Å; L33-F124 HydrophobicContact CD2-CG 4.22Å; L33-A160 HydrophobicContact CB-CB 4.07Å; L33-A160 HydrophobicContact CD1-CB 4.29Å; L33-V166 HydrophobicContact CD1-CB 4.34Å; L33-V166 HydrophobicContact CD1-CG1 3.76Å; L33-V166 HydrophobicContact CD1-CG2 3.67Å
34L97.9Very high96.2Very high1 Ų148.5 Ų48.51%0.00527%0.269CS..Hα-helixtrans-62.4-44.4177.3177.955.6000112.2L22 K30 T31 H36 L37 A38 N52 K54 V56 V65 D67L22-L34 HydrophobicContact CD2-CB 4.22Å; K30-L34 PolarHBondContact O-N 3.48Å; T31-L34 PolarHBondContact O-N 2.78Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 2.86Å; L34-L37 PolarHBondContact O-N 2.93Å; L34-A38 WeakPolarHBondContact O-CB 3.45Å; L34-A38 PolarHBondContact O-N 3.1Å; L34-N52 WeakPolarHBondContact CD2-ND2 3.4Å; L34-K54 HydrophobicContact CD1-CB 4.15Å; L34-K54 HydrophobicContact CD1-CD 4.47Å; L34-K54 HydrophobicContact CD2-CB 4.22Å; L34-K54 HydrophobicContact CD2-CD 4.03Å; L34-K54 HydrophobicContact CD2-CG 4.39Å; L34-K54 HydrophobicContact CG-CB 4.46Å; L34-K54 HydrophobicContact CG-CD 4.05Å; L34-V56 HydrophobicContact CD1-CG2 4.19Å; L34-V65 HydrophobicContact CD1-CB 3.69Å; L34-V65 HydrophobicContact CD1-CG1 3.9Å; L34-V65 HydrophobicContact CD1-CG2 3.91Å; L34-V65 HydrophobicContact CD2-CB 4.5Å; L34-V65 HydrophobicContact CD2-CG1 4.34Å; L34-D67 HydrophobicContact CD2-CB 3.71Å
35K97.3Very high95.8Very high44 Ų4451.6 Ų51.619%0.19129%0.288CS..Hα-helixtrans-61.3-41.3175.7-79.9175.3154-145.90111.9T31 T32 A38 S39 E40 D41 I42 Q44 T45T31-K35 HydrophobicContact CG2-CD 4.38Å; T31-K35 WeakPolarHBondContact O-CB 3.06Å; T31-K35 WeakPolarHBondContact O-CG 3.39Å; T31-K35 PolarHBondContact O-N 2.79Å; T32-K35 PolarHBondContact O-N 3.33Å; K35-A38 CarbonylContact O-C 3.51Å; K35-A38 PolarHBondContact O-N 2.95Å; K35-S39 PolarHBondContact O-N 3.24Å; K35-S39 VanDerWaalsContact O-N 3.11Å; K35-E40 HydrophobicContact CB-CB 4.14Å; K35-E40 HydrophobicContact CG-CB 4.24Å; K35-E40 PolarHBondContact O-N 3.37Å; K35-D41 WeakPolarHBondContact CD-O 3.44Å; K35-D41 PolarHBondContact NZ-O 3.23Å; K35-I42 HydrophobicContact CB-CG2 3.74Å; K35-Q44 PolarHBondContact NZ-O 3.08Å; K35-T45 HydrophobicContact CD-CG2 3.81Å
36H96.5Very high95.3Very high61 Ų6157.1 Ų57.128%0.28232%0.322SS..Hα-helixtrans-59.5-49175.2-170.5101.4000111.2T32 L33 L34 A38 S39 I42 A160 G163T32-H36 WeakPolarHBondContact O-CB 3.41Å; T32-H36 PolarHBondContact O-N 2.91Å; L33-H36 WeakPolarHBondContact O-CB 3.5Å; L33-H36 PolarHBondContact O-N 2.92Å; L34-H36 VanDerWaalsContact C-N 3.33Å; L34-H36 PolarHBondContact O-N 2.86Å; H36-A38 PolarHBondContact O-N 3.29Å; H36-S39 PolarHBondContact O-N 3.43Å; H36-I42 HydrophobicContact CB-CG2 4.19Å; H36-A160 PolarHBondContact ND1-O 3.49Å; H36-A160 VanDerWaalsContact ND1-O 3.13Å; H36-G163 WeakPolarHBondContact CE1-CA 3.45Å; H36-G163 PolarHBondContact CE1-N 3.33Å; H36-G163 VanDerWaalsContact NE2-CA 3.32Å; H36-G163 WeakPolarHBondContact NE2-CA 3.47Å
37L95.1Very high95.1Very high36 Ų3659 Ų5919%0.18834%0.336CS..Hα-helixtrans-59.7-37.1176.4-68173.8000112.3L33 L34 S39 V56 V166 I170L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.42Å; L34-L37 PolarHBondContact O-N 2.93Å; L37-S39 PolarHBondContact O-N 3.26Å; L37-V56 HydrophobicContact CB-CG1 4.23Å; L37-V56 HydrophobicContact CB-CG2 4.36Å; L37-V56 WeakPolarHBondContact O-CG1 3.39Å; L37-V166 HydrophobicContact CD2-CG1 3.54Å; L37-V166 HydrophobicContact CG-CG1 4.24Å; L37-I170 HydrophobicContact CD1-CD1 3.9Å; L37-I170 HydrophobicContact CD1-CG1 4.46Å; L37-I170 HydrophobicContact CD2-CD1 3.98Å; L37-I170 HydrophobicContact CD2-CG1 3.6Å
38A94.9Very high94.8Very high29 Ų2954.9 Ų54.924%0.2432%0.316CS..THydrogen-bonded Turntrans-78.91177.300000113.8L34 K35 H36 E40 V56L34-A38 WeakPolarHBondContact O-CB 3.45Å; L34-A38 PolarHBondContact O-N 3.1Å; K35-A38 CarbonylContact O-C 3.51Å; K35-A38 PolarHBondContact O-N 2.95Å; H36-A38 PolarHBondContact O-N 3.29Å; A38-E40 HydrophobicContact CB-CG 3.79Å; A38-E40 PolarHBondContact O-N 2.92Å; A38-V56 HydrophobicContact CB-CG2 4.07Å
39S93.8Very high94.3Very high117 Ų11763.4 Ų63.482%0.81836%0.355SS*.THydrogen-bonded Turntrans54.136.3-172.9-55.50000113K35 H36 L37K35-S39 PolarHBondContact O-N 3.24Å; K35-S39 VanDerWaalsContact O-N 3.11Å; H36-S39 PolarHBondContact O-N 3.43Å; L37-S39 PolarHBondContact O-N 3.26Å
40E94.6Very high94Very high78 Ų7864.1 Ų64.136%0.36436%0.363SS..  trans-97167.1178.9-68.6178.4-173.900111.8K35 A38 I42 K54K35-E40 HydrophobicContact CB-CB 4.14Å; K35-E40 HydrophobicContact CG-CB 4.24Å; K35-E40 PolarHBondContact O-N 3.37Å; A38-E40 HydrophobicContact CB-CG 3.79Å; A38-E40 PolarHBondContact O-N 2.92Å; E40-I42 PolarHBondContact O-N 3.11Å; E40-K54 IonicContact OE1-NZ 2.84Å; E40-K54 PolarHBondContact OE1-NZ 3.41Å; E40-K54 WeakPolarHBondContact OE2-CE 3.44Å; E40-K54 IonicContact OE2-NZ 3.95Å; E40-K54 PolarHBondContact OE2-NZ 2.81Å
41D94.4Very high93.8Very high102 Ų10268.2 Ų68.255%0.54538%0.38SS..  trans-64.5116.1172.9-179.411.8000111.7K35 T43K35-D41 WeakPolarHBondContact CD-O 3.44Å; K35-D41 PolarHBondContact NZ-O 3.23Å; D41-T43 VanDerWaalsContact OD1-CB 3.27Å; D41-T43 WeakPolarHBondContact OD1-CB 3.17Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T43 PolarHBondContact OD1-N 2.97Å; D41-T43 PolarHBondContact OD1-OG1 3.21Å; D41-T43 PolarHBondContact OD2-OG1 2.86Å
42I94.2Very high93.6Very high45 Ų4569.4 Ų69.423%0.23139%0.386CS..  trans-93.1-4.3179.757160.9000113.9T32 K35 H36 E40 Q44 I161T32-I42 HydrophobicContact CG2-CB 4.09Å; T32-I42 HydrophobicContact CG2-CG2 4.24Å; K35-I42 HydrophobicContact CB-CG2 3.74Å; H36-I42 HydrophobicContact CB-CG2 4.19Å; E40-I42 PolarHBondContact O-N 3.11Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.09Å; I42-I161 HydrophobicContact CD1-CB 4.41Å; I42-I161 WeakPolarHBondContact CD1-O 3.43Å
43T90.5Very high93.5Very high106 Ų10672 Ų7265%0.6540%0.398SS*.SBendtrans-64.3-35-172.458.90000113.1D41D41-T43 VanDerWaalsContact OD1-CB 3.27Å; D41-T43 WeakPolarHBondContact OD1-CB 3.17Å; D41-T43 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T43 PolarHBondContact OD1-N 2.97Å; D41-T43 PolarHBondContact OD1-OG1 3.21Å; D41-T43 PolarHBondContact OD2-OG1 2.86Å
44Q86.5Confident93.4Very high153 Ų15374.5 Ų74.572%0.71541%0.409SS*.  trans-125.8129179.6-61.5-173.520.900111.4K35 I42K35-Q44 PolarHBondContact NZ-O 3.08Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.09Å
45T89.9Confident93.3Very high65 Ų6577.8 Ų77.840%0.39943%0.432SS..  trans-135.9145.3166.2590000108.8T31 K35T31-T45 HydrophobicContact CG2-CG2 4.08Å; K35-T45 HydrophobicContact CD-CG2 3.81Å
46T89.9Confident93.1Very high121 Ų12176.3 Ų76.374%0.74243%0.427SS*.  trans-114.3154.5171.252.80000108.7T48T46-T48 PolarHBondContact O-N 3.28Å; T46-T48 VanDerWaalsContact O-N 3.13Å
47P92.6Very high92.9Very high91 Ų9178.4 Ų78.459%0.59144%0.437SS*.  trans-55.7121179.1-26.735.3000112Q49P47-Q49 PolarHBondContact O-N 3.41Å
48T91.6Very high92.5Very high28 Ų2878 Ų7817%0.17244%0.437CS..  trans-61.1121.6-179-49.70000111T31 T46 I74T31-T48 PolarHBondContact OG1-OG1 2.77Å; T46-T48 PolarHBondContact O-N 3.28Å; T46-T48 VanDerWaalsContact O-N 3.13Å; T48-I74 WeakPolarHBondContact O-CD1 3.44Å
49Q88.7Confident92Very high181 Ų18182 Ų8285%0.84645%0.45SS*.SBendtrans-92.298.1173.7-59.3-172.224.100108.5P47P47-Q49 PolarHBondContact O-N 3.41Å
50G92.2Very high91.6Very high27 Ų2779 Ų7928%0.27844%0.438SS..SBendtrans90.9-108.6-174.800000111.5G69G50-G69 PolarHBondContact O-N 3.28Å
51F94.5Very high91.3Very high97 Ų9776 Ų7643%0.42542%0.424SS..EExtended strand (participates in β ladder)trans-148.6161.6-174.370.9-84.1000113.4I53 W66 D67 I68 Y81F51-I53 HydrophobicContact CD2-CD1 4.13Å; F51-I53 HydrophobicContact CD2-CG1 3.76Å; F51-I53 HydrophobicContact CE2-CD1 3.69Å; F51-I53 HydrophobicContact CE2-CG1 3.81Å; F51-W66 HydrophobicContact CD2-CE3 4.46Å; F51-W66 HydrophobicContact CE2-CZ3 4.43Å; F51-D67 CarbonylContact C-O 3.58Å; F51-D67 WeakPolarHBondContact CA-O 3.2Å; F51-I68 HydrophobicContact CB-CD1 3.52Å; F51-Y81 HydrophobicContact CB-CE1 4.32Å; F51-Y81 AromaticContact CD1-CE1 3.83Å; F51-Y81 HydrophobicContact CD1-CE1 3.83Å; F51-Y81 AromaticContact CD1-CZ 3.74Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.28Å; F51-Y81 HydrophobicContact CD2-CE1 4.45Å; F51-Y81 HydrophobicContact CE1-CE1 4.22Å; F51-Y81 AromaticContact CG-CE1 3.95Å; F51-Y81 HydrophobicContact CG-CE1 3.95Å
52N94.4Very high91.3Very high56 Ų5673.6 Ų73.630%0.29941%0.409SS..EExtended strand (participates in β ladder)trans-132.3141.3168.6171.868.8000109.6L34 K54 D67L34-N52 WeakPolarHBondContact CD2-ND2 3.4Å; N52-K54 WeakPolarHBondContact ND2-CE 3.44Å; N52-D67 HydrophobicContact CB-CB 4.45Å; N52-D67 PolarHBondContact N-O 3.44Å; N52-D67 PolarHBondContact O-N 2.85Å
53I95.6Very high91.3Very high72 Ų7271.6 Ų71.637%0.36940%0.398SS..EExtended strand (participates in β ladder)trans-118129.1176.3-52.3172.3000108.5F51 V65 W66F51-I53 HydrophobicContact CD2-CD1 4.13Å; F51-I53 HydrophobicContact CD2-CG1 3.76Å; F51-I53 HydrophobicContact CE2-CD1 3.69Å; F51-I53 HydrophobicContact CE2-CG1 3.81Å; I53-V65 WeakPolarHBondContact CA-O 3.43Å; I53-W66 HydrophobicContact CD1-CD2 3.92Å; I53-W66 HydrophobicContact CD1-CE3 3.62Å; I53-W66 HydrophobicContact CD1-CH2 3.4Å; I53-W66 VanDerWaalsContact CD1-CH2 3.4Å; I53-W66 HydrophobicContact CD1-CZ2 3.69Å; I53-W66 HydrophobicContact CD1-CZ3 3.36Å; I53-W66 HydrophobicContact CG1-CD2 3.88Å; I53-W66 HydrophobicContact CG1-CE3 3.76Å; I53-W66 HydrophobicContact CG1-CG 4.45Å; I53-W66 HydrophobicContact CG1-CH2 4.4Å; I53-W66 HydrophobicContact CG1-CZ3 4.04Å
54K95.5Very high91.6Very high55 Ų5567.7 Ų67.724%0.23937%0.373CS..EExtended strand (participates in β ladder)trans-135.6143.8171-75.4175.3-168.3-86.40110.7L34 E40 N52 V65L34-K54 HydrophobicContact CD1-CB 4.15Å; L34-K54 HydrophobicContact CD1-CD 4.47Å; L34-K54 HydrophobicContact CD2-CB 4.22Å; L34-K54 HydrophobicContact CD2-CD 4.03Å; L34-K54 HydrophobicContact CD2-CG 4.39Å; L34-K54 HydrophobicContact CG-CB 4.46Å; L34-K54 HydrophobicContact CG-CD 4.05Å; E40-K54 IonicContact OE1-NZ 2.84Å; E40-K54 PolarHBondContact OE1-NZ 3.41Å; E40-K54 WeakPolarHBondContact OE2-CE 3.44Å; E40-K54 IonicContact OE2-NZ 3.95Å; E40-K54 PolarHBondContact OE2-NZ 2.81Å; N52-K54 WeakPolarHBondContact ND2-CE 3.44Å; K54-V65 PolarHBondContact N-O 3.06Å; K54-V65 PolarHBondContact O-N 2.86Å
55S95.7Very high92.2Very high70 Ų7060.6 Ų60.649%0.4934%0.34SS..EExtended strand (participates in β ladder)trans-98.6123.2169.2-59.10000109.1K62 L63 N64S55-K62 VanDerWaalsContact OG-CE 3.3Å; S55-K62 WeakPolarHBondContact OG-CE 3.32Å; S55-L63 CarbonylContact C-O 3.6Å; S55-L63 VanDerWaalsContact CA-O 3.29Å; S55-L63 WeakPolarHBondContact CA-O 3.44Å; S55-N64 WeakPolarHBondContact CB-OD1 3.44Å; S55-N64 PolarHBondContact OG-OD1 2.91Å
56V94Very high92.6Very high12 Ų1260.4 Ų60.47%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-116.4134.3177.3179.70000109.1L34 L37 A38 L63L34-V56 HydrophobicContact CD1-CG2 4.19Å; L37-V56 HydrophobicContact CB-CG1 4.23Å; L37-V56 HydrophobicContact CB-CG2 4.36Å; L37-V56 WeakPolarHBondContact O-CG1 3.39Å; A38-V56 HydrophobicContact CB-CG2 4.07Å; V56-L63 HydrophobicContact CB-CB 4.46Å; V56-L63 PolarHBondContact N-O 2.87Å; V56-L63 WeakPolarHBondContact O-CB 3.46Å; V56-L63 PolarHBondContact O-N 3.16Å
57Q91.4Very high93Very high106 Ų10654.6 Ų54.650%0.49530%0.297SS..EExtended strand (participates in β ladder)trans-86.3128.1174.6-65.7-67.29.400110.6E15 F61E15-Q57 PolarHBondContact OE2-NE2 2.76Å; E15-Q57 PolarHBondContact OE2-OE1 3.17Å; Q57-F61 PolarHBondContact OE1-O 2.88Å
58S87.9Confident93.3Very high27 Ų2750.3 Ų50.319%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-148.6122176.4-171.60000111.6G60 F61S58-G60 VanDerWaalsContact C-N 3.25Å; S58-G60 PolarHBondContact O-N 3.25Å; S58-G60 VanDerWaalsContact O-N 3.12Å; S58-F61 PolarHBondContact N-O 3.12Å; S58-F61 WeakPolarHBondContact O-CB 3.46Å; S58-F61 PolarHBondContact O-N 2.83Å
59Q84.5Confident93.6Very high112 Ų11249 Ų4952%0.52326%0.262SS..THydrogen-bonded Turntrans48.139.9175.5-46.3-178.511.400114.9F61 E171 I174Q59-F61 VanDerWaalsContact C-N 3.32Å; Q59-F61 WeakPolarHBondContact O-CD2 3.44Å; Q59-E171 VanDerWaalsContact NE2-CG 3.26Å; Q59-I174 HydrophobicContact CB-CD1 3.96Å; Q59-I174 HydrophobicContact CG-CD1 3.95Å
60G84.3Confident94Very high54 Ų5440.6 Ų40.656%0.55722%0.223SC*.THydrogen-bonded Turntrans81.46.8-179.500000115.1S58S58-G60 VanDerWaalsContact C-N 3.25Å; S58-G60 PolarHBondContact O-N 3.25Å; S58-G60 VanDerWaalsContact O-N 3.12Å
61F88.9Confident94.3Very high15 Ų1541.3 Ų41.37%0.06622%0.219CC..EExtended strand (participates in β ladder)trans-109.6143.7171.3-65.9-94.4000110.6Q16 I18 Q57 S58 Q59 L63 I174 N178Q16-F61 HydrophobicContact CB-CD1 3.56Å; Q16-F61 HydrophobicContact CB-CE1 3.53Å; Q16-F61 HydrophobicContact CG-CE1 4.29Å; Q16-F61 WeakPolarHBondContact O-CA 3.37Å; Q16-F61 WeakPolarHBondContact O-CD1 3.47Å; I18-F61 HydrophobicContact CD1-CB 3.93Å; I18-F61 HydrophobicContact CD1-CD1 3.39Å; I18-F61 HydrophobicContact CD1-CE1 4.11Å; I18-F61 HydrophobicContact CD1-CG 3.79Å; I18-F61 HydrophobicContact CG1-CB 4.48Å; I18-F61 HydrophobicContact CG1-CD1 3.83Å; Q57-F61 PolarHBondContact OE1-O 2.88Å; S58-F61 PolarHBondContact N-O 3.12Å; S58-F61 WeakPolarHBondContact O-CB 3.46Å; S58-F61 PolarHBondContact O-N 2.83Å; Q59-F61 VanDerWaalsContact C-N 3.32Å; Q59-F61 WeakPolarHBondContact O-CD2 3.44Å; F61-L63 HydrophobicContact CB-CD2 4.01Å; F61-I174 HydrophobicContact CD2-CG1 4.21Å; F61-I174 HydrophobicContact CD2-CG2 3.6Å; F61-I174 HydrophobicContact CE2-CG2 3.39Å; F61-I174 HydrophobicContact CG-CG2 4.48Å; F61-I174 HydrophobicContact CZ-CG2 4.12Å; F61-N178 WeakPolarHBondContact CZ-ND2 3.29Å; F61-N178 WeakPolarHBondContact CZ-OD1 3.47Å
62K93.8Very high94.4Very high53 Ų5346 Ų4623%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-97.1109.1168.5179.7177.7163.5-158.30109Q16 E17 I18 S55 N64Q16-K62 PolarHBondContact O-N 2.84Å; Q16-K62 VanDerWaalsContact O-N 3.11Å; E17-K62 CarbonylContact C-O 3.58Å; E17-K62 WeakPolarHBondContact CA-O 3.39Å; E17-K62 HydrophobicContact CG-CB 4.27Å; E17-K62 HydrophobicContact CG-CD 4.24Å; E17-K62 WeakPolarHBondContact OE1-CD 3.32Å; E17-K62 IonicContact OE1-NZ 2.73Å; E17-K62 PolarHBondContact OE1-NZ 3.37Å; E17-K62 IonicContact OE2-NZ 2.78Å; I18-K62 PolarHBondContact N-O 2.85Å; S55-K62 VanDerWaalsContact OG-CE 3.3Å; S55-K62 WeakPolarHBondContact OG-CE 3.32Å; K62-N64 WeakPolarHBondContact CE-OD1 3.43Å; K62-N64 PolarHBondContact O-N 3.44Å
63L95.7Very high94.5Very high2 Ų250.8 Ų50.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-87.5105.3-179.8-50.3-173.7000109.4I18 I20 S55 V56 F61 V65 I170I18-L63 HydrophobicContact CB-CD2 3.98Å; I18-L63 HydrophobicContact CD1-CD2 3.73Å; I18-L63 HydrophobicContact CG1-CD2 4.25Å; I20-L63 HydrophobicContact CD1-CB 3.96Å; I20-L63 HydrophobicContact CD1-CD1 4.16Å; I20-L63 HydrophobicContact CD1-CD2 4.18Å; I20-L63 HydrophobicContact CD1-CG 4.32Å; S55-L63 CarbonylContact C-O 3.6Å; S55-L63 VanDerWaalsContact CA-O 3.29Å; S55-L63 WeakPolarHBondContact CA-O 3.44Å; V56-L63 HydrophobicContact CB-CB 4.46Å; V56-L63 PolarHBondContact N-O 2.87Å; V56-L63 WeakPolarHBondContact O-CB 3.46Å; V56-L63 PolarHBondContact O-N 3.16Å; F61-L63 HydrophobicContact CB-CD2 4.01Å; L63-V65 HydrophobicContact CB-CG2 4.32Å; L63-V65 PolarHBondContact O-N 3.03Å; L63-I170 HydrophobicContact CD1-CD1 4.47Å; L63-I170 HydrophobicContact CD1-CG2 4.07Å
64N97.1Very high94.5Very high25 Ų2548.1 Ų48.113%0.13424%0.238CC..EExtended strand (participates in β ladder)trans-8894.2175.1-65.2-41.7000109.1E17 I18 I20 S55 K62E17-N64 PolarHBondContact OE2-ND2 3.27Å; I18-N64 PolarHBondContact O-N 2.84Å; I20-N64 PolarHBondContact N-O 3.24Å; S55-N64 WeakPolarHBondContact CB-OD1 3.44Å; S55-N64 PolarHBondContact OG-OD1 2.91Å; K62-N64 WeakPolarHBondContact CE-OD1 3.43Å; K62-N64 PolarHBondContact O-N 3.44Å
65V98.5Very high94.6Very high3 Ų346.1 Ų46.12%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-92.6123.6-174.2-170.60000110.9I20 L22 L34 I53 K54 L63I20-V65 HydrophobicContact CB-CG2 4.21Å; I20-V65 HydrophobicContact CD1-CG2 4.34Å; I20-V65 HydrophobicContact CG2-CG1 4.25Å; I20-V65 HydrophobicContact CG2-CG2 4.5Å; I20-V65 WeakPolarHBondContact O-CA 3.21Å; L22-V65 HydrophobicContact CB-CG1 3.85Å; L22-V65 HydrophobicContact CD2-CG1 4.01Å; L34-V65 HydrophobicContact CD1-CB 3.69Å; L34-V65 HydrophobicContact CD1-CG1 3.9Å; L34-V65 HydrophobicContact CD1-CG2 3.91Å; L34-V65 HydrophobicContact CD2-CB 4.5Å; L34-V65 HydrophobicContact CD2-CG1 4.34Å; I53-V65 WeakPolarHBondContact CA-O 3.43Å; K54-V65 PolarHBondContact N-O 3.06Å; K54-V65 PolarHBondContact O-N 2.86Å; L63-V65 HydrophobicContact CB-CG2 4.32Å; L63-V65 PolarHBondContact O-N 3.03Å
66W98.4Very high94.7Very high61 Ų6146.7 Ų46.723%0.23123%0.231CC..EExtended strand (participates in β ladder)trans-99.794.4173.5-6670.3000109I20 L21 L22 F51 I53 I68 Y81I20-W66 PolarHBondContact O-N 3.23Å; L21-W66 HydrophobicContact CD1-CB 4.03Å; L22-W66 PolarHBondContact N-O 3.45Å; F51-W66 HydrophobicContact CD2-CE3 4.46Å; F51-W66 HydrophobicContact CE2-CZ3 4.43Å; I53-W66 HydrophobicContact CD1-CD2 3.92Å; I53-W66 HydrophobicContact CD1-CE3 3.62Å; I53-W66 HydrophobicContact CD1-CH2 3.4Å; I53-W66 VanDerWaalsContact CD1-CH2 3.4Å; I53-W66 HydrophobicContact CD1-CZ2 3.69Å; I53-W66 HydrophobicContact CD1-CZ3 3.36Å; I53-W66 HydrophobicContact CG1-CD2 3.88Å; I53-W66 HydrophobicContact CG1-CE3 3.76Å; I53-W66 HydrophobicContact CG1-CG 4.45Å; I53-W66 HydrophobicContact CG1-CH2 4.4Å; I53-W66 HydrophobicContact CG1-CZ3 4.04Å; W66-I68 HydrophobicContact CB-CD1 4.19Å; W66-Y81 AromaticContact CE3-CD1 3.69Å; W66-Y81 HydrophobicContact CE3-CD1 3.69Å; W66-Y81 HydrophobicContact CE3-CE1 4.24Å; W66-Y81 AromaticContact CZ3-CD1 3.84Å; W66-Y81 HydrophobicContact CZ3-CD1 3.84Å; W66-Y81 HydrophobicContact CZ3-CE1 4.19Å
67D98.4Very high94.8Very high0 Ų052.8 Ų52.80%025%0.254CS..EExtended strand (participates in β ladder)trans-81.9111.7175.6177.831000109.9L22 K30 T31 L34 F51 N52L22-D67 HydrophobicContact CD2-CB 4.09Å; K30-D67 WeakPolarHBondContact CB-OD1 3.47Å; T31-D67 WeakPolarHBondContact CA-OD2 3.49Å; T31-D67 WeakPolarHBondContact CB-OD2 3.43Å; T31-D67 PolarHBondContact OG1-OD2 3.33Å; L34-D67 HydrophobicContact CD2-CB 3.71Å; F51-D67 CarbonylContact C-O 3.58Å; F51-D67 WeakPolarHBondContact CA-O 3.2Å; N52-D67 HydrophobicContact CB-CB 4.45Å; N52-D67 PolarHBondContact N-O 3.44Å; N52-D67 PolarHBondContact O-N 2.85Å
68I98.2Very high95.1Very high0 Ų048 Ų480%023%0.231CC..EExtended strand (participates in β ladder)trans-106.3139.9-177.2-42.2-57.8000110.3L21 L22 L23 K30 F51 W66 G70 Y81L21-I68 HydrophobicContact CD1-CD1 4.29Å; L21-I68 HydrophobicContact CD1-CG1 3.81Å; L22-I68 PolarHBondContact O-N 3.49Å; L23-I68 HydrophobicContact CD2-CB 3.63Å; L23-I68 HydrophobicContact CD2-CG1 3.64Å; L23-I68 HydrophobicContact CD2-CG2 4.41Å; K30-I68 WeakPolarHBondContact CE-O 3.34Å; F51-I68 HydrophobicContact CB-CD1 3.52Å; W66-I68 HydrophobicContact CB-CD1 4.19Å; I68-G70 PolarHBondContact O-N 3.03Å; I68-Y81 HydrophobicContact CD1-CD1 3.9Å; I68-Y81 HydrophobicContact CD1-CD2 3.77Å; I68-Y81 HydrophobicContact CD1-CE1 4.17Å; I68-Y81 HydrophobicContact CD1-CE2 4.07Å; I68-Y81 HydrophobicContact CD1-CG 3.69Å; I68-Y81 HydrophobicContact CG1-CD2 4.13Å; I68-Y81 HydrophobicContact CG1-CG 4.3Å; I68-Y81 HydrophobicContact CG2-CD2 4.18Å; I68-Y81 HydrophobicContact CG2-CE2 4.07Å
69G97.6Very high95.6Very high2 Ų252.2 Ų52.22%0.02125%0.246CC..  trans-56.1135.3175.600000112.2G50 I74 W78G50-G69 PolarHBondContact O-N 3.28Å; G69-I74 WeakPolarHBondContact O-CG2 3.45Å; G69-W78 PolarHBondContact O-NE1 3.45Å
70G97.9Very high96.2Very high3 Ų351.8 Ų51.83%0.03125%0.248CC..  trans-102.15-176.700000115.3G24 D26 I68 R75G24-G70 VanDerWaalsContact O-CA 3.32Å; G24-G70 WeakPolarHBondContact O-CA 2.99Å; D26-G70 VanDerWaalsContact N-C 3.35Å; D26-G70 PolarHBondContact N-O 3.38Å; I68-G70 PolarHBondContact O-N 3.03Å; G70-R75 PolarHBondContact O-NE 3.16Å; G70-R75 PolarHBondContact O-NH2 2.87Å
71Q97.3Very high96.8Very high42 Ų4251 Ų5120%0.19623%0.228CC..SBendtrans-65.8143.4179-60.9174.534.500109.2D26 K73 I74 R75D26-Q71 HydrophobicContact CB-CG 3.98Å; Q71-K73 HydrophobicContact CB-CG 4.42Å; Q71-K73 PolarHBondContact O-N 3.02Å; Q71-I74 HydrophobicContact CB-CD1 4.08Å; Q71-I74 HydrophobicContact CB-CG1 4.22Å; Q71-I74 HydrophobicContact CG-CD1 4.3Å; Q71-I74 WeakPolarHBondContact O-CA 3.47Å; Q71-I74 WeakPolarHBondContact O-CB 3.34Å; Q71-I74 PolarHBondContact O-N 3.49Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 2.77Å
72R97Very high97.3Very high197 Ų19750.5 Ų50.574%0.74323%0.226SC*.THydrogen-bonded Turntrans-47.9-39.4-177.5-167.6171.6-177.7154.12.3114.3I74 P76R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 3.28Å; R72-P76 WeakPolarHBondContact O-CD 3.47Å
73K96.7Very high97.4Very high155 Ų15553.2 Ų53.267%0.67424%0.24SC*.THydrogen-bonded Turntrans-69.2-16.6177.670.7-178.6179.8-178.40115Q71 Y77Q71-K73 HydrophobicContact CB-CG 4.42Å; Q71-K73 PolarHBondContact O-N 3.02Å; K73-Y77 WeakPolarHBondContact O-CE2 3.4Å
74I95.7Very high97.3Very high17 Ų1759.5 Ų59.59%0.08727%0.273CS..THydrogen-bonded Turntrans-98.6-29.9-177-57.2176.7000111.4T48 G69 Q71 R72 P76 Y77T48-I74 WeakPolarHBondContact O-CD1 3.44Å; G69-I74 WeakPolarHBondContact O-CG2 3.45Å; Q71-I74 HydrophobicContact CB-CD1 4.08Å; Q71-I74 HydrophobicContact CB-CG1 4.22Å; Q71-I74 HydrophobicContact CG-CD1 4.3Å; Q71-I74 WeakPolarHBondContact O-CA 3.47Å; Q71-I74 WeakPolarHBondContact O-CB 3.34Å; Q71-I74 PolarHBondContact O-N 3.49Å; R72-I74 VanDerWaalsContact C-N 3.25Å; R72-I74 PolarHBondContact O-N 3.28Å; I74-P76 VanDerWaalsContact C-CD 3.41Å; I74-P76 VanDerWaalsContact C-N 3.34Å; I74-Y77 WeakPolarHBondContact O-CB 3.26Å; I74-Y77 WeakPolarHBondContact O-CD2 3.45Å; I74-Y77 PolarHBondContact O-N 2.91Å
75R97.8Very high97.3Very high13 Ų1358.7 Ų58.75%0.04927%0.269CS..G310 helixtrans-54.9-36.8-175.1-52-175-162.2148.82.8114.9L25 D26 G70 Q71 Y77 W78 E102 E106L25-R75 VanDerWaalsContact CD2-CZ 3.44Å; D26-R75 IonicContact OD1-NH2 2.67Å; G70-R75 PolarHBondContact O-NE 3.16Å; G70-R75 PolarHBondContact O-NH2 2.87Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 2.77Å; R75-Y77 PolarHBondContact O-N 2.9Å; R75-W78 HydrophobicContact CB-CD2 4.08Å; R75-W78 HydrophobicContact CB-CE3 4.28Å; R75-W78 HydrophobicContact CB-CH2 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.27Å; R75-W78 HydrophobicContact CB-CZ3 4.47Å; R75-W78 HydrophobicContact CG-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.03Å; R75-W78 HydrophobicContact CG-CZ2 3.69Å; R75-W78 HydrophobicContact CG-CZ3 4.48Å; R75-W78 VanDerWaalsContact O-CB 3.26Å; R75-W78 WeakPolarHBondContact O-CB 3.47Å; R75-W78 VanDerWaalsContact O-CG 3.26Å; R75-W78 PolarHBondContact O-N 2.96Å; R75-E102 IonicContact CZ-OE1 2.85Å; R75-E102 IonicContact NH1-OE1 3.69Å; R75-E102 PolarHBondContact NH1-OE1 3.31Å; R75-E102 IonicContact NH2-OE1 2.67Å; R75-E102 PolarHBondContact NH2-OE1 3.02Å; R75-E106 WeakPolarHBondContact CD-OE1 3.07Å; R75-E106 VanDerWaalsContact CD-OE2 3.26Å; R75-E106 WeakPolarHBondContact CD-OE2 3.41Å; R75-E106 IonicContact CZ-OE1 3.26Å; R75-E106 IonicContact NE-OE1 3.5Å; R75-E106 IonicContact NH1-OE1 3.28Å; R75-E106 PolarHBondContact NH1-OE1 3.04Å
76P96.6Very high97.2Very high81 Ų8161.3 Ų61.353%0.52628%0.283SS..G310 helixtrans-58.3-18.6174.1-27.436.6000114.9R72 I74 K79R72-P76 WeakPolarHBondContact O-CD 3.47Å; I74-P76 VanDerWaalsContact C-CD 3.41Å; I74-P76 VanDerWaalsContact C-N 3.34Å; P76-K79 WeakPolarHBondContact O-CE 3.47Å
77Y96.5Very high97.2Very high140 Ų14058.4 Ų58.455%0.54927%0.272SS..G310 helixtrans-93.5-3.4177.8-55.7-79.6000113.5K73 I74 R75 K79 N80 Y81K73-Y77 WeakPolarHBondContact O-CE2 3.4Å; I74-Y77 WeakPolarHBondContact O-CB 3.26Å; I74-Y77 WeakPolarHBondContact O-CD2 3.45Å; I74-Y77 PolarHBondContact O-N 2.91Å; R75-Y77 PolarHBondContact O-N 2.9Å; Y77-K79 PolarHBondContact O-N 2.84Å; Y77-N80 WeakPolarHBondContact O-CB 3.48Å; Y77-N80 PolarHBondContact O-N 3.48Å; Y77-N80 VanDerWaalsContact O-N 3.11Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.27Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.41Å
78W98.3Very high97.2Very high5 Ų558.4 Ų58.42%0.01927%0.272CS..G310 helixtrans-54.9-37.9176.5-73.9-4.5000112L23 G69 R75 N80 Y81 F82 Y90 E106 L110L23-W78 HydrophobicContact CD1-CB 4.47Å; L23-W78 HydrophobicContact CD1-CD2 4.21Å; L23-W78 HydrophobicContact CD1-CE3 4.2Å; L23-W78 HydrophobicContact CD1-CG 4.4Å; L23-W78 HydrophobicContact CD2-CB 4.45Å; L23-W78 HydrophobicContact CD2-CD2 3.95Å; L23-W78 HydrophobicContact CD2-CG 3.88Å; G69-W78 PolarHBondContact O-NE1 3.45Å; R75-W78 HydrophobicContact CB-CD2 4.08Å; R75-W78 HydrophobicContact CB-CE3 4.28Å; R75-W78 HydrophobicContact CB-CH2 4.48Å; R75-W78 HydrophobicContact CB-CZ2 4.27Å; R75-W78 HydrophobicContact CB-CZ3 4.47Å; R75-W78 HydrophobicContact CG-CD2 4.41Å; R75-W78 HydrophobicContact CG-CH2 4.03Å; R75-W78 HydrophobicContact CG-CZ2 3.69Å; R75-W78 HydrophobicContact CG-CZ3 4.48Å; R75-W78 VanDerWaalsContact O-CB 3.26Å; R75-W78 WeakPolarHBondContact O-CB 3.47Å; R75-W78 VanDerWaalsContact O-CG 3.26Å; R75-W78 PolarHBondContact O-N 2.96Å; W78-N80 PolarHBondContact O-N 3.02Å; W78-Y81 PolarHBondContact O-N 3.3Å; W78-F82 HydrophobicContact CB-CE1 3.83Å; W78-F82 HydrophobicContact CB-CZ 3.97Å; W78-F82 VanDerWaalsContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CD1 3.26Å; W78-F82 WeakPolarHBondContact O-CE1 3.22Å; W78-Y90 HydrophobicContact CH2-CE2 4.35Å; W78-Y90 HydrophobicContact CZ3-CE2 4.44Å; W78-E106 HydrophobicContact CZ3-CB 4.21Å; W78-E106 WeakPolarHBondContact CZ3-OE2 3.37Å; W78-L110 HydrophobicContact CE3-CD1 4.03Å; W78-L110 HydrophobicContact CE3-CD2 3.83Å; W78-L110 HydrophobicContact CE3-CG 4.11Å; W78-L110 HydrophobicContact CZ3-CD1 3.78Å; W78-L110 HydrophobicContact CZ3-CD2 4.38Å; W78-L110 HydrophobicContact CZ3-CG 4.17Å
79K97.9Very high97.3Very high116 Ų11658.5 Ų58.550%0.50427%0.273SS..G310 helixtrans-57.8-20.7178.568.6-174.9177.4-175.80115.9P76 Y77 Y81 F82P76-K79 WeakPolarHBondContact O-CE 3.47Å; Y77-K79 PolarHBondContact O-N 2.84Å; K79-Y81 PolarHBondContact O-N 3.04Å; K79-F82 VanDerWaalsContact CA-CZ 3.48Å; K79-F82 HydrophobicContact CB-CD2 3.96Å; K79-F82 HydrophobicContact CB-CE2 3.58Å; K79-F82 HydrophobicContact CB-CZ 4.06Å
80N97.4Very high97.3Very high104 Ų10458.4 Ų58.456%0.55627%0.272SS*.G310 helixtrans-70.7-12.1176.3-61.5-13.8000112.3Y77 W78Y77-N80 WeakPolarHBondContact O-CB 3.48Å; Y77-N80 PolarHBondContact O-N 3.48Å; Y77-N80 VanDerWaalsContact O-N 3.11Å; W78-N80 PolarHBondContact O-N 3.02Å
81Y97.8Very high97.4Very high38 Ų3858.3 Ų58.315%0.14927%0.27CS..G310 helixtrans-117.13.8-174.8-51.6-82.3000113.8R19 F51 W66 I68 Y77 W78 K79R19-Y81 PolarHBondContact NH1-O 3.11Å; R19-Y81 VanDerWaalsContact NH1-O 3.1Å; R19-Y81 PolarHBondContact NH2-O 3.21Å; F51-Y81 HydrophobicContact CB-CE1 4.32Å; F51-Y81 AromaticContact CD1-CE1 3.83Å; F51-Y81 HydrophobicContact CD1-CE1 3.83Å; F51-Y81 AromaticContact CD1-CZ 3.74Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.28Å; F51-Y81 HydrophobicContact CD2-CE1 4.45Å; F51-Y81 HydrophobicContact CE1-CE1 4.22Å; F51-Y81 AromaticContact CG-CE1 3.95Å; F51-Y81 HydrophobicContact CG-CE1 3.95Å; W66-Y81 AromaticContact CE3-CD1 3.69Å; W66-Y81 HydrophobicContact CE3-CD1 3.69Å; W66-Y81 HydrophobicContact CE3-CE1 4.24Å; W66-Y81 AromaticContact CZ3-CD1 3.84Å; W66-Y81 HydrophobicContact CZ3-CD1 3.84Å; W66-Y81 HydrophobicContact CZ3-CE1 4.19Å; I68-Y81 HydrophobicContact CD1-CD1 3.9Å; I68-Y81 HydrophobicContact CD1-CD2 3.77Å; I68-Y81 HydrophobicContact CD1-CE1 4.17Å; I68-Y81 HydrophobicContact CD1-CE2 4.07Å; I68-Y81 HydrophobicContact CD1-CG 3.69Å; I68-Y81 HydrophobicContact CG1-CD2 4.13Å; I68-Y81 HydrophobicContact CG1-CG 4.3Å; I68-Y81 HydrophobicContact CG2-CD2 4.18Å; I68-Y81 HydrophobicContact CG2-CE2 4.07Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.27Å; Y77-Y81 WeakPolarHBondContact O-CE2 3.41Å; W78-Y81 PolarHBondContact O-N 3.3Å; K79-Y81 PolarHBondContact O-N 3.04Å
82F98.5Very high97.5Very high4 Ų456.4 Ų56.42%0.01826%0.261CS..  trans-71.7-33.1-175.4-64.2-12.4000113.7L21 L23 W78 K79 T85 L110 E113 K115 L116L21-F82 HydrophobicContact CD2-CD1 3.63Å; L21-F82 HydrophobicContact CD2-CE1 4.14Å; L23-F82 HydrophobicContact CD1-CE1 4.06Å; W78-F82 HydrophobicContact CB-CE1 3.83Å; W78-F82 HydrophobicContact CB-CZ 3.97Å; W78-F82 VanDerWaalsContact O-CD1 3.29Å; W78-F82 WeakPolarHBondContact O-CD1 3.26Å; W78-F82 WeakPolarHBondContact O-CE1 3.22Å; K79-F82 VanDerWaalsContact CA-CZ 3.48Å; K79-F82 HydrophobicContact CB-CD2 3.96Å; K79-F82 HydrophobicContact CB-CE2 3.58Å; K79-F82 HydrophobicContact CB-CZ 4.06Å; F82-T85 WeakPolarHBondContact O-CB 3.34Å; F82-T85 PolarHBondContact O-N 3.5Å; F82-T85 PolarHBondContact O-OG1 2.69Å; F82-L110 HydrophobicContact CE1-CD2 3.62Å; F82-L110 HydrophobicContact CE2-CD2 4.4Å; F82-L110 HydrophobicContact CZ-CD2 3.38Å; F82-E113 HydrophobicContact CD2-CB 4.11Å; F82-E113 HydrophobicContact CD2-CG 4.09Å; F82-E113 HydrophobicContact CE2-CB 4.02Å; F82-E113 HydrophobicContact CE2-CG 3.52Å; F82-E113 HydrophobicContact CZ-CG 4.37Å; F82-K115 HydrophobicContact CB-CB 3.71Å; F82-K115 HydrophobicContact CB-CD 4.16Å; F82-K115 HydrophobicContact CD2-CB 4.44Å; F82-L116 HydrophobicContact CB-CD2 4.04Å; F82-L116 HydrophobicContact CB-CG 4.08Å; F82-L116 HydrophobicContact CD1-CD1 3.89Å; F82-L116 HydrophobicContact CD1-CD2 4.37Å; F82-L116 HydrophobicContact CD1-CG 4.28Å; F82-L116 HydrophobicContact CD2-CD1 4.19Å; F82-L116 HydrophobicContact CD2-CG 4.28Å; F82-L116 HydrophobicContact CE1-CD1 4.04Å; F82-L116 HydrophobicContact CE2-CD1 4.36Å; F82-L116 HydrophobicContact CG-CD1 3.97Å; F82-L116 HydrophobicContact CG-CD2 4.26Å; F82-L116 HydrophobicContact CG-CG 3.97Å; F82-L116 HydrophobicContact CZ-CD1 4.29Å
83E95.9Very high97.5Very high110 Ų11047.5 Ų47.551%0.51423%0.229SC..THydrogen-bonded Turntrans-60.1139.4-175.5-66.8-178.3-171.100112.3R19 T85 K115R19-E83 VanDerWaalsContact CZ-O 3.23Å; R19-E83 PolarHBondContact NH1-O 3.25Å; E83-T85 PolarHBondContact O-N 2.92Å; E83-K115 HydrophobicContact CG-CD 3.86Å; E83-K115 IonicContact OE1-NZ 3.17Å; E83-K115 PolarHBondContact OE1-NZ 3.13Å
84N94.1Very high97.6Very high133 Ų13340.1 Ų40.171%0.71120%0.197SC*.THydrogen-bonded Turntrans61.318.8179.7-50.2-56.8000114.6R19 D86R19-N84 VanDerWaalsContact CD-O 3.32Å; R19-N84 WeakPolarHBondContact CD-O 3.38Å; N84-D86 PolarHBondContact O-N 3.28Å
85T97.4Very high97.8Very high9 Ų940.7 Ų40.76%0.05520%0.202CC..  trans-66.9120.5173.7-56.40000110.3R19 L21 F82 E83 I87 L116 V119R19-T85 PolarHBondContact NH1-OG1 2.94Å; L21-T85 HydrophobicContact CB-CG2 3.56Å; F82-T85 WeakPolarHBondContact O-CB 3.34Å; F82-T85 PolarHBondContact O-N 3.5Å; F82-T85 PolarHBondContact O-OG1 2.69Å; E83-T85 PolarHBondContact O-N 2.92Å; T85-I87 WeakPolarHBondContact CG2-O 3.42Å; T85-L116 HydrophobicContact CG2-CD2 4.26Å; T85-V119 HydrophobicContact CG2-CG1 3.91Å; T85-V119 WeakPolarHBondContact O-CG2 3.2Å
86D96.5Very high97.8Very high58 Ų5841.8 Ų41.831%0.3121%0.209SC..SBendtrans-82.1-38.9174.5-67.5-55.4000111.3I18 R19 N84 P120I18-D86 HydrophobicContact CG2-CB 3.95Å; R19-D86 PolarHBondContact N-OD2 3.16Å; R19-D86 WeakPolarHBondContact O-CB 3.48Å; R19-D86 PolarHBondContact O-N 3.31Å; N84-D86 PolarHBondContact O-N 3.28Å; D86-P120 WeakPolarHBondContact O-CD 3.39Å
87I98.3Very high97.9Very high0 Ų042.9 Ų42.90%021%0.205CC..EExtended strand (participates in β ladder)trans-141.6133.9-178.5-58.1-70.1000109.9I18 R19 I20 L21 T85 I89 P120 V173 V177I18-I87 HydrophobicContact CG2-CG1 4.13Å; R19-I87 PolarHBondContact O-N 3.04Å; I20-I87 WeakPolarHBondContact CA-O 3.34Å; I20-I87 HydrophobicContact CG1-CB 4.47Å; L21-I87 PolarHBondContact N-O 3.27Å; T85-I87 WeakPolarHBondContact CG2-O 3.42Å; I87-I89 HydrophobicContact CG2-CG1 4.42Å; I87-P120 HydrophobicContact CD1-CB 3.66Å; I87-P120 HydrophobicContact CD1-CG 3.74Å; I87-V173 HydrophobicContact CB-CG1 4.46Å; I87-V173 HydrophobicContact CG1-CG1 4.13Å; I87-V173 HydrophobicContact CG2-CG1 4.18Å; I87-V173 HydrophobicContact CG2-CG2 4.13Å; I87-V177 HydrophobicContact CD1-CG2 3.77Å; I87-V177 HydrophobicContact CG1-CG2 3.66Å
88L98.8Very high98Very high0 Ų045.7 Ų45.70%022%0.22CC..EExtended strand (participates in β ladder)trans-96.7121.2170.2175.560.8000109.5L21 L23 L111 L116 V119 P120 L121 I122L21-L88 HydrophobicContact CB-CD1 4.39Å; L21-L88 HydrophobicContact CD2-CD1 4.35Å; L21-L88 HydrophobicContact CG-CD1 4.37Å; L23-L88 HydrophobicContact CB-CD1 4.4Å; L23-L88 HydrophobicContact CD1-CD1 3.96Å; L23-L88 HydrophobicContact CG-CD1 4.19Å; L88-L111 HydrophobicContact CD2-CD2 4.38Å; L88-L116 HydrophobicContact CD2-CD1 4.34Å; L88-V119 HydrophobicContact CB-CG1 4.17Å; L88-P120 PolarHBondContact N-O 3.22Å; L88-L121 HydrophobicContact CB-CD1 4.42Å; L88-L121 HydrophobicContact CD2-CD1 3.87Å; L88-L121 HydrophobicContact CG-CD1 3.91Å; L88-L121 WeakPolarHBondContact O-CA 3.32Å; L88-I122 PolarHBondContact O-N 3.48Å
89I98.9Very high98Very high2 Ų247.7 Ų47.71%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-102121.8166.9-59.1-175000108.3I20 L21 L22 L23 I87 V91 I122 F124I20-I89 HydrophobicContact CD1-CD1 4.35Å; I20-I89 HydrophobicContact CG2-CB 4.34Å; I20-I89 HydrophobicContact CG2-CD1 3.45Å; I20-I89 VanDerWaalsContact CG2-CD1 3.45Å; I20-I89 HydrophobicContact CG2-CG1 3.59Å; L21-I89 PolarHBondContact O-N 2.92Å; L22-I89 WeakPolarHBondContact CA-O 3.36Å; L22-I89 HydrophobicContact CD1-CB 3.74Å; L22-I89 HydrophobicContact CD1-CG2 3.41Å; L22-I89 VanDerWaalsContact CD1-CG2 3.41Å; L23-I89 PolarHBondContact N-O 2.67Å; I87-I89 HydrophobicContact CG2-CG1 4.42Å; I89-V91 HydrophobicContact CG2-CG2 4.14Å; I89-I122 WeakPolarHBondContact CA-O 3.33Å; I89-I122 HydrophobicContact CB-CG2 4.18Å; I89-I122 HydrophobicContact CD1-CG2 4.39Å; I89-I122 HydrophobicContact CG1-CG2 3.6Å; I89-I122 HydrophobicContact CG2-CG2 4.24Å; I89-F124 HydrophobicContact CD1-CE2 4.37Å; I89-F124 HydrophobicContact CG2-CD2 3.53Å; I89-F124 HydrophobicContact CG2-CE2 3.94Å
90Y98.9Very high98Very high0 Ų044.2 Ų44.20%021%0.213CC..EExtended strand (participates in β ladder)trans-113.7121.7174.3-163.4-101.3000110.3L23 W78 I92 T103 E106 L107 L110 I122 V123 F124L23-Y90 HydrophobicContact CB-CD2 4Å; L23-Y90 HydrophobicContact CB-CE2 4.36Å; L23-Y90 CarbonylContact O-C 3.55Å; L23-Y90 WeakPolarHBondContact O-CA 3.45Å; W78-Y90 HydrophobicContact CH2-CE2 4.35Å; W78-Y90 HydrophobicContact CZ3-CE2 4.44Å; Y90-I92 HydrophobicContact CD1-CD1 4.09Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.12Å; Y90-I92 HydrophobicContact CE1-CG1 3.84Å; Y90-T103 WeakPolarHBondContact CE1-OG1 3.43Å; Y90-T103 PolarHBondContact OH-O 2.98Å; Y90-T103 PolarHBondContact OH-OG1 2.67Å; Y90-E106 WeakPolarHBondContact OH-CB 3.38Å; Y90-L107 HydrophobicContact CD1-CB 4.27Å; Y90-L107 HydrophobicContact CD1-CD1 3.99Å; Y90-L107 HydrophobicContact CD1-CD2 4.18Å; Y90-L107 HydrophobicContact CD1-CG 4.38Å; Y90-L107 HydrophobicContact CD2-CD1 4.09Å; Y90-L107 HydrophobicContact CE1-CB 3.83Å; Y90-L107 HydrophobicContact CE1-CD1 4.37Å; Y90-L107 HydrophobicContact CE1-CD2 4.41Å; Y90-L107 HydrophobicContact CE1-CG 4.42Å; Y90-L107 HydrophobicContact CE2-CB 4.47Å; Y90-L107 HydrophobicContact CE2-CD1 4.5Å; Y90-L107 HydrophobicContact CG-CD1 3.82Å; Y90-L110 HydrophobicContact CD2-CD1 3.66Å; Y90-L110 HydrophobicContact CE2-CD1 3.48Å; Y90-L110 VanDerWaalsContact CE2-CD1 3.48Å; Y90-I122 PolarHBondContact N-O 2.87Å; Y90-V123 CarbonylContact O-C 3.48Å; Y90-V123 VanDerWaalsContact O-CA 3.26Å; Y90-V123 WeakPolarHBondContact O-CA 3.26Å; Y90-F124 PolarHBondContact O-N 2.99Å
91V99Very high98Very high0 Ų046.6 Ų46.60%022%0.221CC..EExtended strand (participates in β ladder)trans-104.9128.9-176-171.10000110.3L22 L23 A28 K30 L33 I89 F124 N126L22-V91 HydrophobicContact CD1-CG2 3.54Å; L23-V91 PolarHBondContact O-N 3Å; A28-V91 HydrophobicContact CB-CB 4.27Å; A28-V91 HydrophobicContact CB-CG1 4.08Å; A28-V91 VanDerWaalsContact CB-O 3.29Å; A28-V91 WeakPolarHBondContact CB-O 3.5Å; A28-V91 WeakPolarHBondContact O-CG1 3.46Å; K30-V91 HydrophobicContact CG-CB 3.81Å; K30-V91 HydrophobicContact CG-CG2 3.79Å; L33-V91 HydrophobicContact CD2-CG2 4.02Å; I89-V91 HydrophobicContact CG2-CG2 4.14Å; V91-F124 HydrophobicContact CG1-CB 4.45Å; V91-F124 HydrophobicContact CG2-CB 4.41Å; V91-N126 HydrophobicContact CG1-CB 3.72Å
92I98.9Very high98.1Very high2 Ų247 Ų471%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-117.3133.6178.7-59.1-175.3000108.6Y90 S94 F100 T103 V123 F124 N126 I139 L143Y90-I92 HydrophobicContact CD1-CD1 4.09Å; Y90-I92 HydrophobicContact CD1-CG1 3.79Å; Y90-I92 HydrophobicContact CE1-CD1 4.12Å; Y90-I92 HydrophobicContact CE1-CG1 3.84Å; I92-S94 PolarHBondContact O-N 3.31Å; I92-F100 HydrophobicContact CG2-CE1 4.42Å; I92-T103 HydrophobicContact CD1-CG2 4.12Å; I92-T103 HydrophobicContact CG1-CG2 4.38Å; I92-T103 HydrophobicContact CG2-CG2 4.11Å; I92-V123 HydrophobicContact CD1-CG1 3.66Å; I92-V123 HydrophobicContact CG1-CG1 4.03Å; I92-F124 PolarHBondContact N-O 3.37Å; I92-N126 WeakPolarHBondContact O-CB 3.45Å; I92-N126 PolarHBondContact O-N 2.87Å; I92-I139 HydrophobicContact CD1-CG2 4.07Å; I92-L143 HydrophobicContact CD1-CD1 3.35Å
93D98.8Very high98.1Very high11 Ų1147 Ų476%0.05922%0.224CC..EExtended strand (participates in β ladder)trans-74.3104.7167-174.2-23.8000109.1S95 D96 F100 K127D93-S95 PolarHBondContact O-N 3.11Å; D93-S95 VanDerWaalsContact O-N 3.15Å; D93-S95 WeakPolarHBondContact OD1-CA 3.46Å; D93-S95 WeakPolarHBondContact OD1-CB 3.29Å; D93-S95 PolarHBondContact OD1-N 3.35Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; D93-D96 HydrophobicContact CB-CB 3.86Å; D93-D96 PolarHBondContact O-N 3.3Å; D93-D96 PolarHBondContact OD1-N 3.48Å; D93-F100 WeakPolarHBondContact O-CE1 3.35Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.37Å; D93-K127 IonicContact OD2-NZ 2.71Å; D93-K127 PolarHBondContact OD2-NZ 3.36Å
94S98.9Very high98.2Very high0 Ų042.6 Ų42.60%021%0.208CC..THydrogen-bonded Turntrans-64.5-17.3-179.1-66.10000114I92 A125 N126 Q128 A133 E134 I139I92-S94 PolarHBondContact O-N 3.31Å; S94-A125 WeakPolarHBondContact OG-CA 3.37Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; S94-A125 PolarHBondContact OG-O 2.93Å; S94-N126 WeakPolarHBondContact CB-O 3.47Å; S94-N126 PolarHBondContact N-O 3.08Å; S94-N126 PolarHBondContact OG-O 3.28Å; S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 3.32Å; S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.39Å; S94-E134 WeakPolarHBondContact CB-O 3.39Å; S94-E134 PolarHBondContact O-N 2.96Å; S94-I139 WeakPolarHBondContact OG-CD1 3.47Å
95S98.6Very high98.4Very high28 Ų2842 Ų4220%0.19620%0.201CC..THydrogen-bonded Turntrans-90.3-16.6179.675.50000113.6D93 K97 L130 T132D93-S95 PolarHBondContact O-N 3.11Å; D93-S95 VanDerWaalsContact O-N 3.15Å; D93-S95 WeakPolarHBondContact OD1-CA 3.46Å; D93-S95 WeakPolarHBondContact OD1-CB 3.29Å; D93-S95 PolarHBondContact OD1-N 3.35Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; S95-K97 PolarHBondContact O-N 3.21Å; S95-L130 WeakPolarHBondContact OG-CD1 3.18Å; S95-T132 WeakPolarHBondContact CB-OG1 3.39Å
96D98.4Very high98.5Very high37 Ų3743 Ų4320%0.19821%0.205CC..  trans-95.662.9-173.4-164.2-2.9000112.6D93 K98 R99 F100D93-D96 HydrophobicContact CB-CB 3.86Å; D93-D96 PolarHBondContact O-N 3.3Å; D93-D96 PolarHBondContact OD1-N 3.48Å; D96-K98 PolarHBondContact O-N 3.13Å; D96-R99 PolarHBondContact O-N 3.17Å; D96-R99 IonicContact OD2-CZ 2.79Å; D96-R99 IonicContact OD2-NE 2.67Å; D96-R99 PolarHBondContact OD2-NE 2.67Å; D96-R99 IonicContact OD2-NH2 3.82Å; D96-R99 PolarHBondContact OD2-NH2 3.04Å; D96-F100 VanDerWaalsContact O-CD1 3.32Å; D96-F100 WeakPolarHBondContact O-CD1 3.44Å
97K97.7Very high98.6Very high104 Ų10440.5 Ų40.545%0.45219%0.192SC..G310 helixtrans-56.4-25.6-177.2-51.6-176.3-161.2-169.70113.2S95 R99 F100 T132 E134S95-K97 PolarHBondContact O-N 3.21Å; K97-R99 PolarHBondContact O-N 3.43Å; K97-F100 HydrophobicContact CG-CE2 4.31Å; K97-F100 HydrophobicContact CG-CZ 4.18Å; K97-F100 PolarHBondContact O-N 3.29Å; K97-T132 WeakPolarHBondContact CE-O 3.27Å; K97-E134 HydrophobicContact CD-CG 4.06Å; K97-E134 VanDerWaalsContact CE-OE1 3.24Å; K97-E134 WeakPolarHBondContact CE-OE1 3.34Å; K97-E134 HydrophobicContact CG-CG 4.26Å; K97-E134 IonicContact NZ-OE1 2.64Å; K97-E134 PolarHBondContact NZ-OE1 2.84Å
98K98.3Very high98.5Very high199 Ų19946.6 Ų46.687%0.86522%0.223SC*.G310 helixtrans-66-22.7178.9-65.5179.7-179.1177.20112.8D96D96-K98 PolarHBondContact O-N 3.13Å
99R98.4Very high98.5Very high46 Ų4652.1 Ų52.117%0.17425%0.249CC..G310 helixtrans-111.617.4179.9-63.6-164.6-67.8163.74.8113.2L25 D26 D96 K97 E102 T103L25-R99 HydrophobicContact CD1-CB 3.91Å; D26-R99 PolarHBondContact O-NH1 3.39Å; D26-R99 PolarHBondContact O-NH2 2.78Å; D26-R99 IonicContact OD1-NH1 2.76Å; D26-R99 PolarHBondContact OD1-NH1 2.84Å; D26-R99 IonicContact OD2-NH1 3.19Å; D26-R99 PolarHBondContact OD2-NH1 2.8Å; D96-R99 PolarHBondContact O-N 3.17Å; D96-R99 IonicContact OD2-CZ 2.79Å; D96-R99 IonicContact OD2-NE 2.67Å; D96-R99 PolarHBondContact OD2-NE 2.67Å; D96-R99 IonicContact OD2-NH2 3.82Å; D96-R99 PolarHBondContact OD2-NH2 3.04Å; K97-R99 PolarHBondContact O-N 3.43Å; R99-E102 HydrophobicContact CB-CB 4.45Å; R99-E102 WeakPolarHBondContact CD-OE2 3.34Å; R99-E102 PolarHBondContact O-N 2.91Å; R99-T103 WeakPolarHBondContact O-CB 3.14Å; R99-T103 WeakPolarHBondContact O-CG2 3.32Å; R99-T103 PolarHBondContact O-N 3.16Å
100F98.5Very high98.5Very high44 Ų4452.3 Ų52.319%0.19325%0.251CS..Hα-helixtrans-66.8-36.3177.4-82.614.7000112.9I92 D93 D96 K97 T103 G104 E134 I139 L143I92-F100 HydrophobicContact CG2-CE1 4.42Å; D93-F100 WeakPolarHBondContact O-CE1 3.35Å; D96-F100 VanDerWaalsContact O-CD1 3.32Å; D96-F100 WeakPolarHBondContact O-CD1 3.44Å; K97-F100 HydrophobicContact CG-CE2 4.31Å; K97-F100 HydrophobicContact CG-CZ 4.18Å; K97-F100 PolarHBondContact O-N 3.29Å; F100-T103 WeakPolarHBondContact O-CG2 3.21Å; F100-G104 PolarHBondContact O-N 3.4Å; F100-G104 VanDerWaalsContact O-N 3.13Å; F100-E134 HydrophobicContact CE2-CB 4.14Å; F100-E134 HydrophobicContact CE2-CG 3.89Å; F100-E134 HydrophobicContact CZ-CB 4.12Å; F100-E134 HydrophobicContact CZ-CG 4.12Å; F100-I139 HydrophobicContact CE2-CG1 4.04Å; F100-I139 HydrophobicContact CZ-CD1 4.15Å; F100-I139 HydrophobicContact CZ-CG1 4Å; F100-L143 WeakPolarHBondContact O-CD2 3.41Å
101E98.2Very high98.4Very high154 Ų15453.5 Ų53.572%0.7226%0.256SS*.Hα-helixtrans-64.9-53.8172.9-173.7172.1-157.300110.3T103 G104 E105E101-T103 VanDerWaalsContact C-N 3.35Å; E101-T103 PolarHBondContact O-N 3.16Å; E101-G104 WeakPolarHBondContact O-CA 3.44Å; E101-G104 PolarHBondContact O-N 3.46Å; E101-E105 WeakPolarHBondContact O-CG 3.33Å; E101-E105 PolarHBondContact O-N 2.87Å
102E98.6Very high98.3Very high46 Ų4657.6 Ų57.622%0.21529%0.285CS..Hα-helixtrans-54.9-45.5178.3-176.7-177-173.500112.6L25 R75 R99 G104 E105 E106L25-E102 HydrophobicContact CD1-CB 4.3Å; L25-E102 HydrophobicContact CD1-CG 4.05Å; L25-E102 HydrophobicContact CD2-CG 4.32Å; R75-E102 IonicContact CZ-OE1 2.85Å; R75-E102 IonicContact NH1-OE1 3.69Å; R75-E102 PolarHBondContact NH1-OE1 3.31Å; R75-E102 IonicContact NH2-OE1 2.67Å; R75-E102 PolarHBondContact NH2-OE1 3.02Å; R99-E102 HydrophobicContact CB-CB 4.45Å; R99-E102 WeakPolarHBondContact CD-OE2 3.34Å; R99-E102 PolarHBondContact O-N 2.91Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 2.97Å; E102-E105 PolarHBondContact O-N 3.24Å; E102-E106 WeakPolarHBondContact O-CG 3.42Å; E102-E106 PolarHBondContact O-N 2.99Å; E102-E106 VanDerWaalsContact O-N 3.15Å
103T98.6Very high98.3Very high4 Ų460.3 Ų60.33%0.02530%0.298CS..Hα-helixtrans-69.4-28.5179.7-160.40000112.5Y90 I92 R99 F100 E101 L107Y90-T103 WeakPolarHBondContact CE1-OG1 3.43Å; Y90-T103 PolarHBondContact OH-O 2.98Å; Y90-T103 PolarHBondContact OH-OG1 2.67Å; I92-T103 HydrophobicContact CD1-CG2 4.12Å; I92-T103 HydrophobicContact CG1-CG2 4.38Å; I92-T103 HydrophobicContact CG2-CG2 4.11Å; R99-T103 WeakPolarHBondContact O-CB 3.14Å; R99-T103 WeakPolarHBondContact O-CG2 3.32Å; R99-T103 PolarHBondContact O-N 3.16Å; F100-T103 WeakPolarHBondContact O-CG2 3.21Å; E101-T103 VanDerWaalsContact C-N 3.35Å; E101-T103 PolarHBondContact O-N 3.16Å; T103-L107 WeakPolarHBondContact O-CB 3.11Å; T103-L107 PolarHBondContact O-N 3.07Å; T103-L107 VanDerWaalsContact O-N 3.11Å
104G98.5Very high98.2Very high17 Ų1766.8 Ų66.818%0.17533%0.333CS..Hα-helixtrans-72.5-43.6175.900000112.4F100 E101 E102 L107 L108F100-G104 PolarHBondContact O-N 3.4Å; F100-G104 VanDerWaalsContact O-N 3.13Å; E101-G104 WeakPolarHBondContact O-CA 3.44Å; E101-G104 PolarHBondContact O-N 3.46Å; E102-G104 VanDerWaalsContact C-N 3.28Å; E102-G104 PolarHBondContact O-N 2.97Å; G104-L107 PolarHBondContact O-N 3.46Å; G104-L108 WeakPolarHBondContact O-CB 3.4Å; G104-L108 PolarHBondContact O-N 2.85Å
105E98.4Very high98.2Very high120 Ų12071.9 Ų71.956%0.56136%0.355SS*.Hα-helixtrans-58.8-48.7174.4-69.5177.8157.500111.2E101 E102 L107 L108 E109E101-E105 WeakPolarHBondContact O-CG 3.33Å; E101-E105 PolarHBondContact O-N 2.87Å; E102-E105 PolarHBondContact O-N 3.24Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.43Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-E109 PolarHBondContact O-N 2.89Å
106E98.6Very high98.1Very high32 Ų3270.6 Ų70.615%0.1535%0.345CS..Hα-helixtrans-64.1-38178.7-65.5-81.5178.700111.9L25 R75 W78 Y90 E102 L110L25-E106 HydrophobicContact CD2-CB 4.37Å; L25-E106 HydrophobicContact CD2-CG 3.94Å; R75-E106 WeakPolarHBondContact CD-OE1 3.07Å; R75-E106 VanDerWaalsContact CD-OE2 3.26Å; R75-E106 WeakPolarHBondContact CD-OE2 3.41Å; R75-E106 IonicContact CZ-OE1 3.26Å; R75-E106 IonicContact NE-OE1 3.5Å; R75-E106 IonicContact NH1-OE1 3.28Å; R75-E106 PolarHBondContact NH1-OE1 3.04Å; W78-E106 HydrophobicContact CZ3-CB 4.21Å; W78-E106 WeakPolarHBondContact CZ3-OE2 3.37Å; Y90-E106 WeakPolarHBondContact OH-CB 3.38Å; E102-E106 WeakPolarHBondContact O-CG 3.42Å; E102-E106 PolarHBondContact O-N 2.99Å; E102-E106 VanDerWaalsContact O-N 3.15Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 VanDerWaalsContact O-CG 3.22Å; E106-L110 WeakPolarHBondContact O-CG 3.37Å; E106-L110 PolarHBondContact O-N 3.26Å
107L98.7Very high98Very high5 Ų571.6 Ų71.63%0.02636%0.359CS..Hα-helixtrans-66.3-43.2174.2-179.958.2000111.2Y90 T103 G104 E105 E109 L110 L111 L121 V123 L145Y90-L107 HydrophobicContact CD1-CB 4.27Å; Y90-L107 HydrophobicContact CD1-CD1 3.99Å; Y90-L107 HydrophobicContact CD1-CD2 4.18Å; Y90-L107 HydrophobicContact CD1-CG 4.38Å; Y90-L107 HydrophobicContact CD2-CD1 4.09Å; Y90-L107 HydrophobicContact CE1-CB 3.83Å; Y90-L107 HydrophobicContact CE1-CD1 4.37Å; Y90-L107 HydrophobicContact CE1-CD2 4.41Å; Y90-L107 HydrophobicContact CE1-CG 4.42Å; Y90-L107 HydrophobicContact CE2-CB 4.47Å; Y90-L107 HydrophobicContact CE2-CD1 4.5Å; Y90-L107 HydrophobicContact CG-CD1 3.82Å; T103-L107 WeakPolarHBondContact O-CB 3.11Å; T103-L107 PolarHBondContact O-N 3.07Å; T103-L107 VanDerWaalsContact O-N 3.11Å; G104-L107 PolarHBondContact O-N 3.46Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.43Å; L107-E109 PolarHBondContact O-N 2.93Å; L107-L110 WeakPolarHBondContact O-CB 3.47Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-L111 HydrophobicContact CD1-CD1 4.24Å; L107-L111 HydrophobicContact CD1-CD2 4.39Å; L107-L111 HydrophobicContact CD1-CG 4.11Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 3.01Å; L107-L121 HydrophobicContact CD1-CD1 4.15Å; L107-L121 HydrophobicContact CD1-CD2 4.25Å; L107-V123 HydrophobicContact CD2-CG2 4.26Å; L107-L145 HydrophobicContact CD2-CD2 3.7Å
108L97.9Very high97.9Very high127 Ų12768 Ų6867%0.66535%0.351SS*.Hα-helixtrans-62.2-43.8178.6-177.764.2000111.4G104 E105 L111 S112G104-L108 WeakPolarHBondContact O-CB 3.4Å; G104-L108 PolarHBondContact O-N 2.85Å; E105-L108 PolarHBondContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-S112 PolarHBondContact O-N 2.88Å; L108-S112 VanDerWaalsContact O-N 3.16Å
109E98.1Very high97.9Very high117 Ų11758.7 Ų58.755%0.54731%0.311SS..Hα-helixtrans-57.8-49.5174.3-172.7172.9178.300110.6E105 L107 L111 S112E105-E109 PolarHBondContact O-N 2.89Å; L107-E109 PolarHBondContact O-N 2.93Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.79Å; E109-S112 PolarHBondContact O-N 2.76Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.71Å
110L98.4Very high97.9Very high6 Ų656.7 Ų56.73%0.03130%0.304CS..Hα-helixtrans-56.8-38.9175.8-74.2174.2000113.7L23 W78 F82 Y90 E106 L107 S112 E113 L116L23-L110 HydrophobicContact CB-CD1 4.23Å; L23-L110 HydrophobicContact CD1-CD1 3.7Å; L23-L110 HydrophobicContact CD1-CD2 3.57Å; L23-L110 HydrophobicContact CD1-CG 4.31Å; W78-L110 HydrophobicContact CE3-CD1 4.03Å; W78-L110 HydrophobicContact CE3-CD2 3.83Å; W78-L110 HydrophobicContact CE3-CG 4.11Å; W78-L110 HydrophobicContact CZ3-CD1 3.78Å; W78-L110 HydrophobicContact CZ3-CD2 4.38Å; W78-L110 HydrophobicContact CZ3-CG 4.17Å; F82-L110 HydrophobicContact CE1-CD2 3.62Å; F82-L110 HydrophobicContact CE2-CD2 4.4Å; F82-L110 HydrophobicContact CZ-CD2 3.38Å; Y90-L110 HydrophobicContact CD2-CD1 3.66Å; Y90-L110 HydrophobicContact CE2-CD1 3.48Å; Y90-L110 VanDerWaalsContact CE2-CD1 3.48Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 VanDerWaalsContact O-CG 3.22Å; E106-L110 WeakPolarHBondContact O-CG 3.37Å; E106-L110 PolarHBondContact O-N 3.26Å; L107-L110 WeakPolarHBondContact O-CB 3.47Å; L107-L110 PolarHBondContact O-N 2.88Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 3.21Å; L110-E113 WeakPolarHBondContact O-CB 3.46Å; L110-E113 PolarHBondContact O-N 3.43Å; L110-L116 HydrophobicContact CD2-CD1 4.28Å; L110-L116 WeakPolarHBondContact O-CD1 3.38Å
111L98Very high97.9Very high24 Ų2454.6 Ų54.613%0.12630%0.295CS..Hα-helixtrans-75.3-20.4-178.1-64.9-177.7000113.1L88 L107 L108 E109 E113 L121 I148 R151L88-L111 HydrophobicContact CD2-CD2 4.38Å; L107-L111 HydrophobicContact CD1-CD1 4.24Å; L107-L111 HydrophobicContact CD1-CD2 4.39Å; L107-L111 HydrophobicContact CD1-CG 4.11Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.36Å; L107-L111 PolarHBondContact O-N 3.01Å; L108-L111 PolarHBondContact O-N 2.87Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.79Å; L111-E113 VanDerWaalsContact C-N 3.32Å; L111-L121 HydrophobicContact CD1-CD2 4.15Å; L111-L121 HydrophobicContact CD2-CD2 4.09Å; L111-I148 HydrophobicContact CD1-CD1 3.53Å; L111-I148 HydrophobicContact CD1-CG1 4.02Å; L111-R151 PolarHBondContact O-NH2 3.15Å
112S96.8Very high97.9Very high86 Ų8647.3 Ų47.360%0.60126%0.261SS*.Hα-helixtrans-80.6-8.8174.6730000114.4L108 E109 L110 D114L108-S112 PolarHBondContact O-N 2.88Å; L108-S112 VanDerWaalsContact O-N 3.16Å; E109-S112 PolarHBondContact O-N 2.76Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.71Å; L110-S112 VanDerWaalsContact C-N 3.29Å; L110-S112 PolarHBondContact O-N 3.21Å; S112-D114 PolarHBondContact O-N 3.47Å
113E98Very high97.9Very high59 Ų5945.1 Ų45.128%0.27625%0.251SS..  trans-75.4120.6-178.1-72.4-80.1-178.400112F82 L110 L111 K115 L116 A117F82-E113 HydrophobicContact CD2-CB 4.11Å; F82-E113 HydrophobicContact CD2-CG 4.09Å; F82-E113 HydrophobicContact CE2-CB 4.02Å; F82-E113 HydrophobicContact CE2-CG 3.52Å; F82-E113 HydrophobicContact CZ-CG 4.37Å; L110-E113 WeakPolarHBondContact O-CB 3.46Å; L110-E113 PolarHBondContact O-N 3.43Å; L111-E113 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 2.88Å; E113-K115 VanDerWaalsContact O-N 3.12Å; E113-L116 HydrophobicContact CB-CB 4.41Å; E113-L116 HydrophobicContact CB-CD1 4.37Å; E113-L116 HydrophobicContact CB-CG 4.44Å; E113-L116 CarbonylContact O-C 3.49Å; E113-L116 WeakPolarHBondContact O-CA 3.42Å; E113-L116 PolarHBondContact O-N 3.32Å; E113-A117 PolarHBondContact O-N 2.99Å
114D97Very high97.9Very high148 Ų14844.9 Ų44.979%0.79125%0.249SC*.G310 helixtrans-54-36.1179.9-73.8-25.9000112.6S112 L116 A117S112-D114 PolarHBondContact O-N 3.47Å; D114-L116 PolarHBondContact O-N 3.39Å; D114-A117 WeakPolarHBondContact O-CB 3.41Å; D114-A117 PolarHBondContact O-N 2.92Å; D114-A117 VanDerWaalsContact O-N 3.08Å
115K97.9Very high97.9Very high107 Ų10744.1 Ų44.147%0.46524%0.241SC..G310 helixtrans-65.9-19.2178.7-64-174.1-180-165.90113.2F82 E83 E113F82-K115 HydrophobicContact CB-CB 3.71Å; F82-K115 HydrophobicContact CB-CD 4.16Å; F82-K115 HydrophobicContact CD2-CB 4.44Å; E83-K115 HydrophobicContact CG-CD 3.86Å; E83-K115 IonicContact OE1-NZ 3.17Å; E83-K115 PolarHBondContact OE1-NZ 3.13Å; E113-K115 PolarHBondContact O-N 2.88Å; E113-K115 VanDerWaalsContact O-N 3.12Å
116L98.1Very high98Very high0 Ų038.6 Ų38.60%022%0.215CC..G310 helixtrans-106.55.9176.8-63.6176.7000112.2L21 F82 T85 L88 L110 E113 D114 G118 V119 R151L21-L116 HydrophobicContact CD2-CD2 4.49Å; F82-L116 HydrophobicContact CB-CD2 4.04Å; F82-L116 HydrophobicContact CB-CG 4.08Å; F82-L116 HydrophobicContact CD1-CD1 3.89Å; F82-L116 HydrophobicContact CD1-CD2 4.37Å; F82-L116 HydrophobicContact CD1-CG 4.28Å; F82-L116 HydrophobicContact CD2-CD1 4.19Å; F82-L116 HydrophobicContact CD2-CG 4.28Å; F82-L116 HydrophobicContact CE1-CD1 4.04Å; F82-L116 HydrophobicContact CE2-CD1 4.36Å; F82-L116 HydrophobicContact CG-CD1 3.97Å; F82-L116 HydrophobicContact CG-CD2 4.26Å; F82-L116 HydrophobicContact CG-CG 3.97Å; F82-L116 HydrophobicContact CZ-CD1 4.29Å; T85-L116 HydrophobicContact CG2-CD2 4.26Å; L88-L116 HydrophobicContact CD2-CD1 4.34Å; L110-L116 HydrophobicContact CD2-CD1 4.28Å; L110-L116 WeakPolarHBondContact O-CD1 3.38Å; E113-L116 HydrophobicContact CB-CB 4.41Å; E113-L116 HydrophobicContact CB-CD1 4.37Å; E113-L116 HydrophobicContact CB-CG 4.44Å; E113-L116 CarbonylContact O-C 3.49Å; E113-L116 WeakPolarHBondContact O-CA 3.42Å; E113-L116 PolarHBondContact O-N 3.32Å; D114-L116 PolarHBondContact O-N 3.39Å; L116-G118 PolarHBondContact O-N 2.65Å; L116-V119 HydrophobicContact CD2-CG2 4.43Å; L116-V119 WeakPolarHBondContact O-CB 3.42Å; L116-V119 WeakPolarHBondContact O-CG2 3.37Å; L116-V119 PolarHBondContact O-N 3.19Å; L116-V119 VanDerWaalsContact O-N 3.08Å; L116-R151 PolarHBondContact O-NH1 2.63Å
117A96.1Very high98Very high58 Ų5838.7 Ų38.748%0.47922%0.216SC..THydrogen-bonded Turntrans-56.2127.6179.700000111.7E113 D114 V119E113-A117 PolarHBondContact O-N 2.99Å; D114-A117 WeakPolarHBondContact O-CB 3.41Å; D114-A117 PolarHBondContact O-N 2.92Å; D114-A117 VanDerWaalsContact O-N 3.08Å; A117-V119 PolarHBondContact O-N 2.87Å; A117-V119 VanDerWaalsContact O-N 3.09Å
118G95.1Very high98Very high28 Ų2841.6 Ų41.629%0.28923%0.229SC..THydrogen-bonded Turntrans67.13-179.800000115.7L116 P120L116-G118 PolarHBondContact O-N 2.65Å; G118-P120 WeakPolarHBondContact O-CD 3.29Å
119V97.4Very high98Very high5 Ų538.7 Ų38.73%0.0321%0.214CC..  trans-68.8124.5173.9175.60000108.7T85 L88 L116 A117 L121 R151T85-V119 HydrophobicContact CG2-CG1 3.91Å; T85-V119 WeakPolarHBondContact O-CG2 3.2Å; L88-V119 HydrophobicContact CB-CG1 4.17Å; L116-V119 HydrophobicContact CD2-CG2 4.43Å; L116-V119 WeakPolarHBondContact O-CB 3.42Å; L116-V119 WeakPolarHBondContact O-CG2 3.37Å; L116-V119 PolarHBondContact O-N 3.19Å; L116-V119 VanDerWaalsContact O-N 3.08Å; A117-V119 PolarHBondContact O-N 2.87Å; A117-V119 VanDerWaalsContact O-N 3.09Å; V119-L121 PolarHBondContact O-N 2.78Å; V119-R151 WeakPolarHBondContact O-CD 3.32Å
120P98.2Very high98Very high4 Ų436.4 Ų36.43%0.02621%0.205CC..  trans-59.1138.3177.4-2231.4000112.3D86 I87 L88 G118 P152 W172D86-P120 WeakPolarHBondContact O-CD 3.39Å; I87-P120 HydrophobicContact CD1-CB 3.66Å; I87-P120 HydrophobicContact CD1-CG 3.74Å; L88-P120 PolarHBondContact N-O 3.22Å; G118-P120 WeakPolarHBondContact O-CD 3.29Å; P120-P152 VanDerWaalsContact CA-O 3.27Å; P120-P152 WeakPolarHBondContact CA-O 3.25Å; P120-P152 HydrophobicContact CB-CB 4.31Å; P120-P152 HydrophobicContact CB-CG 4.49Å; P120-P152 HydrophobicContact CG-CG 4.31Å; P120-W172 HydrophobicContact CB-CH2 3.89Å; P120-W172 HydrophobicContact CB-CZ3 4.4Å
121L98.6Very high97.9Very high0 Ų044.9 Ų44.90%025%0.25CC..EExtended strand (participates in β ladder)trans-110.1127.1-178.1169.570000110.7L88 L107 L111 V119 V123 I148 P152 W153 Q154 W172L88-L121 HydrophobicContact CB-CD1 4.42Å; L88-L121 HydrophobicContact CD2-CD1 3.87Å; L88-L121 HydrophobicContact CG-CD1 3.91Å; L88-L121 WeakPolarHBondContact O-CA 3.32Å; L107-L121 HydrophobicContact CD1-CD1 4.15Å; L107-L121 HydrophobicContact CD1-CD2 4.25Å; L111-L121 HydrophobicContact CD1-CD2 4.15Å; L111-L121 HydrophobicContact CD2-CD2 4.09Å; V119-L121 PolarHBondContact O-N 2.78Å; L121-V123 HydrophobicContact CD1-CG2 4.19Å; L121-V123 HydrophobicContact CD2-CG2 4Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; L121-I148 HydrophobicContact CD2-CD1 3.94Å; L121-P152 PolarHBondContact N-O 3.35Å; L121-W153 HydrophobicContact CB-CB 4.03Å; L121-W153 HydrophobicContact CD2-CB 4.37Å; L121-W153 HydrophobicContact CG-CB 4.46Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.09Å; L121-W153 WeakPolarHBondContact O-CB 3.37Å; L121-Q154 PolarHBondContact O-N 3.21Å; L121-W172 WeakPolarHBondContact O-CH2 3.4Å
122I98.8Very high97.9Very high0 Ų047.8 Ų47.80%027%0.268CS..EExtended strand (participates in β ladder)trans-113.4126.9159.2-175167.9000110.4L88 I89 Y90 F124 Q154 Q156 G169 W172 V173L88-I122 PolarHBondContact O-N 3.48Å; I89-I122 WeakPolarHBondContact CA-O 3.33Å; I89-I122 HydrophobicContact CB-CG2 4.18Å; I89-I122 HydrophobicContact CD1-CG2 4.39Å; I89-I122 HydrophobicContact CG1-CG2 3.6Å; I89-I122 HydrophobicContact CG2-CG2 4.24Å; Y90-I122 PolarHBondContact N-O 2.87Å; I122-F124 HydrophobicContact CD1-CE1 4.5Å; I122-F124 HydrophobicContact CD1-CE2 4.21Å; I122-F124 HydrophobicContact CD1-CZ 4.1Å; I122-F124 HydrophobicContact CG2-CE2 4.44Å; I122-Q154 CarbonylContact C-O 3.51Å; I122-Q154 WeakPolarHBondContact CA-O 3.41Å; I122-Q156 HydrophobicContact CD1-CB 4.24Å; I122-G169 VanDerWaalsContact CD1-CA 3.44Å; I122-G169 WeakPolarHBondContact CD1-O 3.37Å; I122-W172 HydrophobicContact CB-CE3 3.75Å; I122-W172 HydrophobicContact CB-CH2 4.49Å; I122-W172 HydrophobicContact CB-CZ3 3.61Å; I122-W172 HydrophobicContact CD1-CE3 4.05Å; I122-W172 HydrophobicContact CG1-CE3 4.32Å; I122-W172 HydrophobicContact CG2-CE3 4.4Å; I122-W172 HydrophobicContact CG2-CZ3 4.24Å; I122-V173 HydrophobicContact CG2-CG2 3.8Å
123V98.9Very high98Very high0 Ų044.6 Ų44.60%025%0.247CC..EExtended strand (participates in β ladder)trans-95116.7170.9179.60000108.6Y90 I92 L107 L121 L145 Q154 I155 Q156Y90-V123 CarbonylContact O-C 3.48Å; Y90-V123 VanDerWaalsContact O-CA 3.26Å; Y90-V123 WeakPolarHBondContact O-CA 3.26Å; I92-V123 HydrophobicContact CD1-CG1 3.66Å; I92-V123 HydrophobicContact CG1-CG1 4.03Å; L107-V123 HydrophobicContact CD2-CG2 4.26Å; L121-V123 HydrophobicContact CD1-CG2 4.19Å; L121-V123 HydrophobicContact CD2-CG2 4Å; L121-V123 HydrophobicContact CG-CG2 4.08Å; V123-L145 HydrophobicContact CB-CD1 4.33Å; V123-L145 HydrophobicContact CG2-CD1 3.96Å; V123-Q154 PolarHBondContact N-O 2.87Å; V123-I155 HydrophobicContact CB-CB 4.33Å; V123-I155 HydrophobicContact CB-CD1 4.28Å; V123-I155 HydrophobicContact CB-CG1 4Å; V123-I155 HydrophobicContact CG1-CD1 3.95Å; V123-I155 HydrophobicContact CG1-CG1 4.05Å; V123-I155 CarbonylContact O-C 3.54Å; V123-I155 WeakPolarHBondContact O-CA 3.22Å; V123-Q156 PolarHBondContact O-N 3.29Å
124F98.9Very high98Very high0 Ų043.3 Ų43.30%024%0.241CC..EExtended strand (participates in β ladder)trans-88.3109.9166.7-82.5-70.7000109.4L33 I89 Y90 V91 I92 I122 N126 Q156 C158L33-F124 HydrophobicContact CD2-CD2 3.68Å; L33-F124 HydrophobicContact CD2-CE2 3.97Å; L33-F124 HydrophobicContact CD2-CG 4.22Å; I89-F124 HydrophobicContact CD1-CE2 4.37Å; I89-F124 HydrophobicContact CG2-CD2 3.53Å; I89-F124 HydrophobicContact CG2-CE2 3.94Å; Y90-F124 PolarHBondContact O-N 2.99Å; V91-F124 HydrophobicContact CG1-CB 4.45Å; V91-F124 HydrophobicContact CG2-CB 4.41Å; I92-F124 PolarHBondContact N-O 3.37Å; I122-F124 HydrophobicContact CD1-CE1 4.5Å; I122-F124 HydrophobicContact CD1-CE2 4.21Å; I122-F124 HydrophobicContact CD1-CZ 4.1Å; I122-F124 HydrophobicContact CG2-CE2 4.44Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.89Å; F124-N126 VanDerWaalsContact O-N 3.08Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.99Å; F124-Q156 HydrophobicContact CD1-CG 4.07Å; F124-Q156 HydrophobicContact CE1-CB 4.04Å; F124-Q156 HydrophobicContact CE1-CG 3.82Å; F124-C158 HydrophobicContact CD1-CB 3.82Å; F124-C158 WeakPolarHBondContact CD1-SG 3.48Å; F124-C158 HydrophobicContact CE1-CB 4.23Å
125A98.9Very high98.1Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-78.482.4167.300000107.9S94 Q128 A136 I139 I155 Q156 G157 C158S94-A125 WeakPolarHBondContact OG-CA 3.37Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; S94-A125 PolarHBondContact OG-O 2.93Å; A125-Q128 VanDerWaalsContact O-CG 3.31Å; A125-Q128 WeakPolarHBondContact O-CG 3.39Å; A125-Q128 PolarHBondContact O-NE2 3.32Å; A125-A136 HydrophobicContact CB-CB 3.99Å; A125-I139 HydrophobicContact CB-CD1 3.86Å; A125-I155 HydrophobicContact CB-CD1 4.31Å; A125-I155 HydrophobicContact CB-CG1 4.29Å; A125-Q156 PolarHBondContact N-O 2.91Å; A125-G157 WeakPolarHBondContact O-CA 3.38Å; A125-C158 PolarHBondContact O-N 2.89Å
126N98.9Very high98.1Very high4 Ų434.3 Ų34.32%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-83.8165-169.2-174.336.7000112.6A28 V91 I92 S94 F124 C158 A160A28-N126 PolarHBondContact O-ND2 2.77Å; V91-N126 HydrophobicContact CG1-CB 3.72Å; I92-N126 WeakPolarHBondContact O-CB 3.45Å; I92-N126 PolarHBondContact O-N 2.87Å; S94-N126 WeakPolarHBondContact CB-O 3.47Å; S94-N126 PolarHBondContact N-O 3.08Å; S94-N126 PolarHBondContact OG-O 3.28Å; F124-N126 VanDerWaalsContact C-N 3.28Å; F124-N126 PolarHBondContact O-N 2.89Å; F124-N126 VanDerWaalsContact O-N 3.08Å; N126-C158 CarbonylContact C-O 3.4Å; N126-C158 WeakPolarHBondContact CA-O 3.48Å; N126-A160 PolarHBondContact OD1-N 3.12Å
127K98.7Very high98.1Very high35 Ų3539 Ų3915%0.15223%0.229CC..  trans68.634-179-45.2-166.9-169.6173.50113.7N27 D93 D129 L130 A133 C158N27-K127 PolarHBondContact ND2-NZ 3.36Å; N27-K127 WeakPolarHBondContact O-CE 3.4Å; N27-K127 PolarHBondContact O-NZ 3.09Å; D93-K127 VanDerWaalsContact OD2-CE 3.26Å; D93-K127 WeakPolarHBondContact OD2-CE 3.37Å; D93-K127 IonicContact OD2-NZ 2.71Å; D93-K127 PolarHBondContact OD2-NZ 3.36Å; K127-D129 WeakPolarHBondContact CA-OD1 3.41Å; K127-D129 PolarHBondContact O-N 3.33Å; K127-D129 VanDerWaalsContact O-N 3.13Å; K127-L130 HydrophobicContact CB-CD1 3.83Å; K127-L130 HydrophobicContact CB-CG 4.14Å; K127-L130 HydrophobicContact CD-CD1 3.95Å; K127-L130 WeakPolarHBondContact O-CB 3.32Å; K127-L130 PolarHBondContact O-N 3.1Å; K127-A133 WeakPolarHBondContact O-CB 3.32Å; K127-C158 PolarHBondContact N-O 3.48Å
128Q98.7Very high98.2Very high66 Ų6643.4 Ų43.431%0.30823%0.233SC..THydrogen-bonded Turntrans-64.4-9.5173.9-64.9-68.2-43.800113.5S94 A125 E134 C158S94-Q128 VanDerWaalsContact CB-NE2 3.26Å; S94-Q128 PolarHBondContact OG-NE2 3.32Å; A125-Q128 VanDerWaalsContact O-CG 3.31Å; A125-Q128 WeakPolarHBondContact O-CG 3.39Å; A125-Q128 PolarHBondContact O-NE2 3.32Å; Q128-E134 PolarHBondContact NE2-O 3.15Å; Q128-C158 WeakPolarHBondContact CB-O 3.17Å; Q128-C158 VanDerWaalsContact CG-O 3.32Å; Q128-C158 WeakPolarHBondContact CG-O 3.41Å; Q128-C158 PolarHBondContact N-O 3.27Å
129D98.3Very high98.4Very high65 Ų6542.1 Ų42.135%0.34822%0.22SC..THydrogen-bonded Turntrans-70.3-18169.654.8-79.1000113.5K127 S159 I161 T162K127-D129 WeakPolarHBondContact CA-OD1 3.41Å; K127-D129 PolarHBondContact O-N 3.33Å; K127-D129 VanDerWaalsContact O-N 3.13Å; D129-S159 WeakPolarHBondContact OD1-CB 3.41Å; D129-S159 PolarHBondContact OD1-OG 3.35Å; D129-I161 HydrophobicContact CB-CD1 4.33Å; D129-I161 WeakPolarHBondContact OD2-CD1 3.44Å; D129-T162 HydrophobicContact CB-CG2 4.36Å
130L98.4Very high98.4Very high69 Ų6942.3 Ų42.336%0.36122%0.221SC..SBendtrans-85.4134.3179.9-58.6179.8000111.2S95 K127 T132 A133S95-L130 WeakPolarHBondContact OG-CD1 3.18Å; K127-L130 HydrophobicContact CB-CD1 3.83Å; K127-L130 HydrophobicContact CB-CG 4.14Å; K127-L130 HydrophobicContact CD-CD1 3.95Å; K127-L130 WeakPolarHBondContact O-CB 3.32Å; K127-L130 PolarHBondContact O-N 3.1Å; L130-T132 PolarHBondContact O-N 2.81Å; L130-T132 VanDerWaalsContact O-N 3.07Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.37Å
131L97Very high98.4Very high185 Ų18546.9 Ų46.997%0.96925%0.245SC*.THydrogen-bonded Turntrans-59.1-23.9179.1-65.7174.9000114
132T97.4Very high98.3Very high84 Ų8450.2 Ų50.252%0.51528%0.279SS..THydrogen-bonded Turntrans-90-2.2-179.953.50000113.4S95 K97 L130S95-T132 WeakPolarHBondContact CB-OG1 3.39Å; K97-T132 WeakPolarHBondContact CE-O 3.27Å; L130-T132 PolarHBondContact O-N 2.81Å; L130-T132 VanDerWaalsContact O-N 3.07Å
133A98.6Very high98.2Very high20 Ų2052.2 Ų52.217%0.16529%0.29CS..PPolyproline II helixtrans-64.6132.2-178.400000111.9S94 K127 L130S94-A133 CarbonylContact O-C 3.58Å; S94-A133 WeakPolarHBondContact O-CA 3.39Å; K127-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 WeakPolarHBondContact O-CB 3.32Å; L130-A133 PolarHBondContact O-N 3.37Å
134E98.7Very high98.1Very high31 Ų3153.3 Ų53.315%0.14530%0.301CS..PPolyproline II helixtrans-76.7138.4166-71.8-63.3151.800110.3S94 K97 F100 Q128 R138 I139S94-E134 WeakPolarHBondContact CB-O 3.39Å; S94-E134 PolarHBondContact O-N 2.96Å; K97-E134 HydrophobicContact CD-CG 4.06Å; K97-E134 VanDerWaalsContact CE-OE1 3.24Å; K97-E134 WeakPolarHBondContact CE-OE1 3.34Å; K97-E134 HydrophobicContact CG-CG 4.26Å; K97-E134 IonicContact NZ-OE1 2.64Å; K97-E134 PolarHBondContact NZ-OE1 2.84Å; F100-E134 HydrophobicContact CE2-CB 4.14Å; F100-E134 HydrophobicContact CE2-CG 3.89Å; F100-E134 HydrophobicContact CZ-CB 4.12Å; F100-E134 HydrophobicContact CZ-CG 4.12Å; Q128-E134 PolarHBondContact NE2-O 3.15Å; E134-R138 WeakPolarHBondContact OE2-CD 3.17Å; E134-R138 IonicContact OE2-CZ 3.89Å; E134-R138 IonicContact OE2-NE 3.93Å; E134-R138 IonicContact OE2-NH1 3Å; E134-R138 PolarHBondContact OE2-NH1 3.26Å; E134-I139 HydrophobicContact CB-CD1 4.23Å; E134-I139 HydrophobicContact CB-CG1 3.99Å
135P98.3Very high98Very high49 Ų4953.4 Ų53.432%0.31830%0.302SS..PPolyproline II helixtrans-66.1151.617630.1-36.6000111N137 R138 I139P135-N137 VanDerWaalsContact C-N 3.26Å; P135-N137 VanDerWaalsContact CB-OD1 3.32Å; P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 WeakPolarHBondContact CG-OD1 3.11Å; P135-N137 PolarHBondContact O-N 3.28Å; P135-N137 VanDerWaalsContact O-N 3.16Å; P135-R138 HydrophobicContact CG-CB 4.2Å; P135-R138 HydrophobicContact CG-CG 3.94Å; P135-R138 PolarHBondContact O-N 3.08Å; P135-I139 PolarHBondContact O-N 2.86Å
136A98.5Very high97.8Very high18 Ų1858 Ų5815%0.14933%0.326CS..Hα-helixtrans-52.1-39.6-17600000113.9A125 R138 I139 S140 I155A125-A136 HydrophobicContact CB-CB 3.99Å; A136-R138 PolarHBondContact O-N 3.34Å; A136-I139 PolarHBondContact O-N 2.83Å; A136-S140 PolarHBondContact O-N 2.89Å; A136-I155 HydrophobicContact CB-CD1 4.35Å; A136-I155 HydrophobicContact CB-CG1 4.07Å; A136-I155 HydrophobicContact CB-CG2 4.45Å; A136-I155 VanDerWaalsContact O-CD1 3.24Å; A136-I155 WeakPolarHBondContact O-CD1 3.16Å
137N97.8Very high97.7Very high99 Ų9963 Ų6353%0.52936%0.356SS..Hα-helixtrans-62.6-42.4178.963.4-30.6000112.6P135 I139 S140 D141P135-N137 VanDerWaalsContact C-N 3.26Å; P135-N137 VanDerWaalsContact CB-OD1 3.32Å; P135-N137 WeakPolarHBondContact CB-OD1 3.26Å; P135-N137 WeakPolarHBondContact CG-OD1 3.11Å; P135-N137 PolarHBondContact O-N 3.28Å; P135-N137 VanDerWaalsContact O-N 3.16Å; N137-I139 VanDerWaalsContact C-N 3.35Å; N137-I139 PolarHBondContact O-N 2.86Å; N137-S140 WeakPolarHBondContact O-CB 3.37Å; N137-S140 PolarHBondContact O-N 2.89Å; N137-D141 VanDerWaalsContact O-CG 3.29Å; N137-D141 PolarHBondContact O-N 3.11Å
138R98.1Very high97.6Very high149 Ų14962.1 Ų62.156%0.56235%0.353SS*.Hα-helixtrans-67.3-36177.7-73.7-174.7179.3173.20.1112.7E134 P135 A136 D141 G142E134-R138 WeakPolarHBondContact OE2-CD 3.17Å; E134-R138 IonicContact OE2-CZ 3.89Å; E134-R138 IonicContact OE2-NE 3.93Å; E134-R138 IonicContact OE2-NH1 3Å; E134-R138 PolarHBondContact OE2-NH1 3.26Å; P135-R138 HydrophobicContact CG-CB 4.2Å; P135-R138 HydrophobicContact CG-CG 3.94Å; P135-R138 PolarHBondContact O-N 3.08Å; A136-R138 PolarHBondContact O-N 3.34Å; R138-D141 PolarHBondContact O-N 3.29Å; R138-G142 PolarHBondContact O-N 3Å
139I98.6Very high97.5Very high2 Ų268.3 Ų68.31%0.0137%0.374CS..Hα-helixtrans-65.4-42.8173.3-64.6171.2000109.9I92 S94 F100 A125 E134 P135 A136 N137 D141 G142 L143 I155I92-I139 HydrophobicContact CD1-CG2 4.07Å; S94-I139 WeakPolarHBondContact OG-CD1 3.47Å; F100-I139 HydrophobicContact CE2-CG1 4.04Å; F100-I139 HydrophobicContact CZ-CD1 4.15Å; F100-I139 HydrophobicContact CZ-CG1 4Å; A125-I139 HydrophobicContact CB-CD1 3.86Å; E134-I139 HydrophobicContact CB-CD1 4.23Å; E134-I139 HydrophobicContact CB-CG1 3.99Å; P135-I139 PolarHBondContact O-N 2.86Å; A136-I139 PolarHBondContact O-N 2.83Å; N137-I139 VanDerWaalsContact C-N 3.35Å; N137-I139 PolarHBondContact O-N 2.86Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 3.41Å; I139-G142 PolarHBondContact O-N 3.13Å; I139-L143 HydrophobicContact CG2-CD1 3.77Å; I139-L143 HydrophobicContact CG2-CG 4.26Å; I139-L143 WeakPolarHBondContact O-CB 3.02Å; I139-L143 VanDerWaalsContact O-CG 3.32Å; I139-L143 WeakPolarHBondContact O-CG 3.16Å; I139-L143 PolarHBondContact O-N 3.32Å; I139-I155 HydrophobicContact CB-CD1 4.16Å; I139-I155 HydrophobicContact CG2-CD1 4.03Å
140S98.3Very high97.4Very high8 Ų869.9 Ų69.96%0.05638%0.382CS..Hα-helixtrans-57.7-46.2175.2174.60000112.5A136 N137 G144 L145A136-S140 PolarHBondContact O-N 2.89Å; N137-S140 WeakPolarHBondContact O-CB 3.37Å; N137-S140 PolarHBondContact O-N 2.89Å; S140-G144 PolarHBondContact O-N 3.48Å; S140-G144 VanDerWaalsContact O-N 3.14Å; S140-L145 PolarHBondContact O-N 3.02Å
141D97.6Very high97.3Very high101 Ų10167.4 Ų67.454%0.5437%0.368SS..Hα-helixtrans-66.4-47.3179-65.4-21.8000111.1N137 R138 I139 L143 G144N137-D141 VanDerWaalsContact O-CG 3.29Å; N137-D141 PolarHBondContact O-N 3.11Å; R138-D141 PolarHBondContact O-N 3.29Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 3.41Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.96Å; D141-G144 PolarHBondContact O-N 3.16Å; D141-G144 VanDerWaalsContact O-N 3.1Å
142G96.7Very high97.2Very high69 Ų6962 Ų6271%0.71134%0.344SS*.Hα-helixtrans-63.9-33-178.700000114.1R138 I139R138-G142 PolarHBondContact O-N 3Å; I139-G142 PolarHBondContact O-N 3.13Å
143L96.6Very high97.3Very high42 Ų4261 Ų6122%0.2233%0.33CS..THydrogen-bonded Turntrans-91.2-0.2176.3-59.5-176.6000113.3I92 F100 I139 D141 L145I92-L143 HydrophobicContact CD1-CD1 3.35Å; F100-L143 WeakPolarHBondContact O-CD2 3.41Å; I139-L143 HydrophobicContact CG2-CD1 3.77Å; I139-L143 HydrophobicContact CG2-CG 4.26Å; I139-L143 WeakPolarHBondContact O-CB 3.02Å; I139-L143 VanDerWaalsContact O-CG 3.32Å; I139-L143 WeakPolarHBondContact O-CG 3.16Å; I139-L143 PolarHBondContact O-N 3.32Å; D141-L143 VanDerWaalsContact C-N 3.32Å; D141-L143 PolarHBondContact O-N 2.96Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD2 3.98Å; L143-L145 HydrophobicContact CB-CG 4.16Å; L143-L145 PolarHBondContact O-N 3.03Å
144G96.4Very high97.2Very high23 Ų2362.8 Ų62.824%0.23734%0.336CS..THydrogen-bonded Turntrans61.332.7-178.700000113.5S140 D141 L146 T147S140-G144 PolarHBondContact O-N 3.48Å; S140-G144 VanDerWaalsContact O-N 3.14Å; D141-G144 PolarHBondContact O-N 3.16Å; D141-G144 VanDerWaalsContact O-N 3.1Å; G144-L146 PolarHBondContact O-N 2.74Å; G144-L146 VanDerWaalsContact O-N 3.16Å; G144-T147 WeakPolarHBondContact O-CB 3.26Å; G144-T147 WeakPolarHBondContact O-CG2 3.34Å; G144-T147 PolarHBondContact O-N 2.85Å; G144-T147 PolarHBondContact O-OG1 3.47Å
145L97.5Very high97.3Very high3 Ų362.8 Ų62.82%0.01634%0.336CS..G310 helixtrans-60.3-30.3-178.6-58-173.1000111.9L107 V123 S140 L143 T147 I148 W153 I155L107-L145 HydrophobicContact CD2-CD2 3.7Å; V123-L145 HydrophobicContact CB-CD1 4.33Å; V123-L145 HydrophobicContact CG2-CD1 3.96Å; S140-L145 PolarHBondContact O-N 3.02Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD2 3.98Å; L143-L145 HydrophobicContact CB-CG 4.16Å; L143-L145 PolarHBondContact O-N 3.03Å; L145-T147 PolarHBondContact O-N 3.1Å; L145-I148 HydrophobicContact CB-CD1 4.36Å; L145-I148 HydrophobicContact CD2-CD1 4.05Å; L145-I148 WeakPolarHBondContact O-CB 3.43Å; L145-I148 WeakPolarHBondContact O-CG1 3.32Å; L145-I148 PolarHBondContact O-N 2.85Å; L145-W153 HydrophobicContact CB-CE3 4.2Å; L145-W153 HydrophobicContact CB-CH2 3.82Å; L145-W153 HydrophobicContact CB-CZ2 4.23Å; L145-W153 HydrophobicContact CB-CZ3 3.8Å; L145-W153 HydrophobicContact CD1-CE3 4.45Å; L145-W153 HydrophobicContact CD1-CZ3 4.14Å; L145-W153 WeakPolarHBondContact O-CZ2 3.44Å; L145-I155 HydrophobicContact CD1-CB 4.27Å; L145-I155 HydrophobicContact CD1-CD1 3.85Å
146L95.4Very high97.3Very high96 Ų9662.3 Ų62.350%0.50333%0.33SS..G310 helixtrans-61.8-5.5171.6-70.8176.1000113.9G144 R149 W153G144-L146 PolarHBondContact O-N 2.74Å; G144-L146 VanDerWaalsContact O-N 3.16Å; L146-R149 PolarHBondContact O-NH1 3.4Å; L146-R149 PolarHBondContact O-NH2 2.73Å; L146-W153 HydrophobicContact CD2-CH2 4.09Å; L146-W153 HydrophobicContact CD2-CZ2 3.94Å
147T96.1Very high97.3Very high109 Ų10962.4 Ų62.467%0.66933%0.332SS*.G310 helixtrans-91.4-13.2173.468.70000113G144 L145 R149G144-T147 WeakPolarHBondContact O-CB 3.26Å; G144-T147 WeakPolarHBondContact O-CG2 3.34Å; G144-T147 PolarHBondContact O-N 2.85Å; G144-T147 PolarHBondContact O-OG1 3.47Å; L145-T147 PolarHBondContact O-N 3.1Å; T147-R149 WeakPolarHBondContact O-CG 3.46Å; T147-R149 PolarHBondContact O-N 3.13Å
148I97.6Very high97.3Very high17 Ų1757.8 Ų57.89%0.08731%0.308CS..  trans-68.6125.3178.1-58.2168.2000109.1L111 L121 L145 R151 W153L111-I148 HydrophobicContact CD1-CD1 3.53Å; L111-I148 HydrophobicContact CD1-CG1 4.02Å; L121-I148 HydrophobicContact CD2-CD1 3.94Å; L145-I148 HydrophobicContact CB-CD1 4.36Å; L145-I148 HydrophobicContact CD2-CD1 4.05Å; L145-I148 WeakPolarHBondContact O-CB 3.43Å; L145-I148 WeakPolarHBondContact O-CG1 3.32Å; L145-I148 PolarHBondContact O-N 2.85Å; I148-R151 HydrophobicContact CG2-CG 3.65Å; I148-W153 HydrophobicContact CG2-CG 4.45Å
149R96.1Very high97.4Very high196 Ų19650.8 Ų50.874%0.7428%0.282SS*.  trans-130.6-14.7-175.3-66.4-70.1176.2-85.6-5.9114.3L146 T147L146-R149 PolarHBondContact O-NH1 3.4Å; L146-R149 PolarHBondContact O-NH2 2.73Å; T147-R149 WeakPolarHBondContact O-CG 3.46Å; T147-R149 PolarHBondContact O-N 3.13Å
150D95.4Very high97.4Very high97 Ų9750.7 Ų50.752%0.51928%0.282SS..SBendtrans-93-3.8-17169.4-32000113.6
151R95.8Very high97.3Very high17 Ų1755 Ų556%0.06430%0.303CS..SBendtrans-153.7155.9-178.666.3-161.666.8-151.44.7112.2L111 L116 V119 I148L111-R151 PolarHBondContact O-NH2 3.15Å; L116-R151 PolarHBondContact O-NH1 2.63Å; V119-R151 WeakPolarHBondContact O-CD 3.32Å; I148-R151 HydrophobicContact CG2-CG 3.65Å
152P96.7Very high97.3Very high71 Ų7153.5 Ų53.546%0.46130%0.298SS..  trans-65139165.6-15.229.7000110.3P120 L121 W172P120-P152 VanDerWaalsContact CA-O 3.27Å; P120-P152 WeakPolarHBondContact CA-O 3.25Å; P120-P152 HydrophobicContact CB-CB 4.31Å; P120-P152 HydrophobicContact CB-CG 4.49Å; P120-P152 HydrophobicContact CG-CG 4.31Å; L121-P152 PolarHBondContact N-O 3.35Å; P152-W172 HydrophobicContact CB-CZ2 4.4Å
153W97.8Very high97.3Very high63 Ų6351 Ų5124%0.23927%0.271CS..EExtended strand (participates in β ladder)trans-145.4159.2173.369.4-89.4000112.8L121 L145 L146 I148 I155 W172L121-W153 HydrophobicContact CB-CB 4.03Å; L121-W153 HydrophobicContact CD2-CB 4.37Å; L121-W153 HydrophobicContact CG-CB 4.46Å; L121-W153 CarbonylContact O-C 3.54Å; L121-W153 WeakPolarHBondContact O-CA 3.09Å; L121-W153 WeakPolarHBondContact O-CB 3.37Å; L145-W153 HydrophobicContact CB-CE3 4.2Å; L145-W153 HydrophobicContact CB-CH2 3.82Å; L145-W153 HydrophobicContact CB-CZ2 4.23Å; L145-W153 HydrophobicContact CB-CZ3 3.8Å; L145-W153 HydrophobicContact CD1-CE3 4.45Å; L145-W153 HydrophobicContact CD1-CZ3 4.14Å; L145-W153 WeakPolarHBondContact O-CZ2 3.44Å; L146-W153 HydrophobicContact CD2-CH2 4.09Å; L146-W153 HydrophobicContact CD2-CZ2 3.94Å; I148-W153 HydrophobicContact CG2-CG 4.45Å; W153-I155 HydrophobicContact CZ3-CB 4.36Å; W153-I155 HydrophobicContact CZ3-CG2 4.26Å; W153-W172 VanDerWaalsContact C-CZ2 3.44Å
154Q98.3Very high97.4Very high59 Ų5954.4 Ų54.428%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-144.4150.5169.5177.2162.9-47.200110.2L121 I122 V123 W172L121-Q154 PolarHBondContact O-N 3.21Å; I122-Q154 CarbonylContact C-O 3.51Å; I122-Q154 WeakPolarHBondContact CA-O 3.41Å; V123-Q154 PolarHBondContact N-O 2.87Å; Q154-W172 HydrophobicContact CB-CD2 3.8Å; Q154-W172 VanDerWaalsContact CB-CE2 3.5Å; Q154-W172 HydrophobicContact CB-CE3 4.44Å; Q154-W172 HydrophobicContact CB-CG 4.05Å; Q154-W172 HydrophobicContact CB-CZ2 3.9Å; Q154-W172 HydrophobicContact CG-CG 4.43Å
155I98.7Very high97.5Very high31 Ų3153.7 Ų53.716%0.15928%0.282CS..EExtended strand (participates in β ladder)trans-109.5137163.2-169.8160.6000109.6V123 A125 A136 I139 L145 W153V123-I155 HydrophobicContact CB-CB 4.33Å; V123-I155 HydrophobicContact CB-CD1 4.28Å; V123-I155 HydrophobicContact CB-CG1 4Å; V123-I155 HydrophobicContact CG1-CD1 3.95Å; V123-I155 HydrophobicContact CG1-CG1 4.05Å; V123-I155 CarbonylContact O-C 3.54Å; V123-I155 WeakPolarHBondContact O-CA 3.22Å; A125-I155 HydrophobicContact CB-CD1 4.31Å; A125-I155 HydrophobicContact CB-CG1 4.29Å; A136-I155 HydrophobicContact CB-CD1 4.35Å; A136-I155 HydrophobicContact CB-CG1 4.07Å; A136-I155 HydrophobicContact CB-CG2 4.45Å; A136-I155 VanDerWaalsContact O-CD1 3.24Å; A136-I155 WeakPolarHBondContact O-CD1 3.16Å; I139-I155 HydrophobicContact CB-CD1 4.16Å; I139-I155 HydrophobicContact CG2-CD1 4.03Å; L145-I155 HydrophobicContact CD1-CB 4.27Å; L145-I155 HydrophobicContact CD1-CD1 3.85Å; W153-I155 HydrophobicContact CZ3-CB 4.36Å; W153-I155 HydrophobicContact CZ3-CG2 4.26Å
156Q98.8Very high97.5Very high38 Ų3853.7 Ų53.718%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-130.7117.1-179.9-179.459.654.400109.4I122 V123 F124 A125 C158 G165I122-Q156 HydrophobicContact CD1-CB 4.24Å; V123-Q156 PolarHBondContact O-N 3.29Å; F124-Q156 WeakPolarHBondContact CA-O 3.42Å; F124-Q156 HydrophobicContact CD1-CB 3.99Å; F124-Q156 HydrophobicContact CD1-CG 4.07Å; F124-Q156 HydrophobicContact CE1-CB 4.04Å; F124-Q156 HydrophobicContact CE1-CG 3.82Å; A125-Q156 PolarHBondContact N-O 2.91Å; Q156-C158 PolarHBondContact O-N 3.23Å; Q156-G165 WeakPolarHBondContact CG-O 3.34Å
157G98.8Very high97.5Very high20 Ų2055.1 Ų55.121%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-66.6130.4167.300000109.5A125A125-G157 WeakPolarHBondContact O-CA 3.38Å
158C98.8Very high97.6Very high2 Ų254.5 Ų54.51%0.01428%0.276CS..  trans-147.6168.1178.175.30000113.5F124 A125 N126 K127 Q128 Q156 N164 V166F124-C158 HydrophobicContact CD1-CB 3.82Å; F124-C158 WeakPolarHBondContact CD1-SG 3.48Å; F124-C158 HydrophobicContact CE1-CB 4.23Å; A125-C158 PolarHBondContact O-N 2.89Å; N126-C158 CarbonylContact C-O 3.4Å; N126-C158 WeakPolarHBondContact CA-O 3.48Å; K127-C158 PolarHBondContact N-O 3.48Å; Q128-C158 WeakPolarHBondContact CB-O 3.17Å; Q128-C158 VanDerWaalsContact CG-O 3.32Å; Q128-C158 WeakPolarHBondContact CG-O 3.41Å; Q128-C158 PolarHBondContact N-O 3.27Å; Q156-C158 PolarHBondContact O-N 3.23Å; C158-N164 CarbonylContact C-O 3.48Å; C158-N164 WeakPolarHBondContact CA-O 3.2Å; C158-N164 VanDerWaalsContact CB-O 3.26Å; C158-N164 WeakPolarHBondContact CB-O 3.1Å; C158-V166 HydrophobicContact CB-CG2 4.17Å
159S98.8Very high97.6Very high2 Ų253.7 Ų53.71%0.01427%0.272CS..  trans-128.1112.1162.1174.50000108.6D129 I161 T162 G163 N164D129-S159 WeakPolarHBondContact OD1-CB 3.41Å; D129-S159 PolarHBondContact OD1-OG 3.35Å; S159-I161 PolarHBondContact O-N 3.32Å; S159-I161 WeakPolarHBondContact OG-CG1 3.31Å; S159-I161 PolarHBondContact OG-N 3.43Å; S159-T162 WeakPolarHBondContact CB-OG1 3.32Å; S159-T162 PolarHBondContact O-N 2.81Å; S159-T162 PolarHBondContact OG-N 3.34Å; S159-G163 WeakPolarHBondContact O-CA 3.35Å; S159-G163 PolarHBondContact O-N 2.76Å; S159-N164 PolarHBondContact N-O 3.05Å
160A98.4Very high97.6Very high1 Ų144.6 Ų44.61%0.00824%0.238CC..THydrogen-bonded Turntrans-62.1-22174.200000112.8T32 L33 H36 N126T32-A160 HydrophobicContact CG2-CB 3.84Å; L33-A160 HydrophobicContact CB-CB 4.07Å; L33-A160 HydrophobicContact CD1-CB 4.29Å; H36-A160 PolarHBondContact ND1-O 3.49Å; H36-A160 VanDerWaalsContact ND1-O 3.13Å; N126-A160 PolarHBondContact OD1-N 3.12Å
161I97.6Very high97.6Very high97 Ų9743.8 Ų43.850%0.49723%0.231SC..THydrogen-bonded Turntrans-82.4-36.5179.165.9161.4000112.5T32 I42 D129 S159T32-I161 HydrophobicContact CG2-CG2 4.12Å; I42-I161 HydrophobicContact CD1-CB 4.41Å; I42-I161 WeakPolarHBondContact CD1-O 3.43Å; D129-I161 HydrophobicContact CB-CD1 4.33Å; D129-I161 WeakPolarHBondContact OD2-CD1 3.44Å; S159-I161 PolarHBondContact O-N 3.32Å; S159-I161 WeakPolarHBondContact OG-CG1 3.31Å; S159-I161 PolarHBondContact OG-N 3.43Å
162T97.1Very high97.7Very high71 Ų7144.6 Ų44.644%0.43623%0.234SC..THydrogen-bonded Turntrans-94.6-20.1179.173.40000113.2D129 S159 N164D129-T162 HydrophobicContact CB-CG2 4.36Å; S159-T162 WeakPolarHBondContact CB-OG1 3.32Å; S159-T162 PolarHBondContact O-N 2.81Å; S159-T162 PolarHBondContact OG-N 3.34Å; T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 WeakPolarHBondContact OG1-CB 3.24Å; T162-N164 PolarHBondContact OG1-N 2.67Å; T162-N164 PolarHBondContact OG1-ND2 3.49Å; T162-N164 VanDerWaalsContact OG1-ND2 3.17Å
163G97.3Very high97.6Very high15 Ų1541.2 Ų41.216%0.15521%0.212CC..  trans86.8-10.6-172.600000114.6H36 S159 G165 V166H36-G163 WeakPolarHBondContact CE1-CA 3.45Å; H36-G163 PolarHBondContact CE1-N 3.33Å; H36-G163 VanDerWaalsContact NE2-CA 3.32Å; H36-G163 WeakPolarHBondContact NE2-CA 3.47Å; S159-G163 WeakPolarHBondContact O-CA 3.35Å; S159-G163 PolarHBondContact O-N 2.76Å; G163-G165 PolarHBondContact O-N 2.95Å; G163-V166 WeakPolarHBondContact O-CB 3.42Å; G163-V166 PolarHBondContact O-N 2.67Å; G163-V166 VanDerWaalsContact O-N 3.12Å
164N98.4Very high97.4Very high114 Ų11438.6 Ų38.661%0.6120%0.203SC*.THydrogen-bonded Turntrans-57.7130.8-179.6-68.8-18.1000110.6C158 S159 T162 V166C158-N164 CarbonylContact C-O 3.48Å; C158-N164 WeakPolarHBondContact CA-O 3.2Å; C158-N164 VanDerWaalsContact CB-O 3.26Å; C158-N164 WeakPolarHBondContact CB-O 3.1Å; S159-N164 PolarHBondContact N-O 3.05Å; T162-N164 VanDerWaalsContact C-N 3.29Å; T162-N164 WeakPolarHBondContact OG1-CB 3.24Å; T162-N164 PolarHBondContact OG1-N 2.67Å; T162-N164 PolarHBondContact OG1-ND2 3.49Å; T162-N164 VanDerWaalsContact OG1-ND2 3.17Å; N164-V166 PolarHBondContact O-N 3.02Å
165G98.4Very high97.1Very high8 Ų842.7 Ų42.78%0.08222%0.22CC..THydrogen-bonded Turntrans77.3-8.7178.100000115Q156 G163 E168 G169Q156-G165 WeakPolarHBondContact CG-O 3.34Å; G163-G165 PolarHBondContact O-N 2.95Å; G165-E168 WeakPolarHBondContact CA-OE2 3.21Å; G165-E168 PolarHBondContact N-OE2 2.9Å; G165-G169 PolarHBondContact O-N 3.41Å
166V98Very high96.8Very high4 Ų442 Ų422%0.02422%0.217CC..Hα-helixtrans-71.8-45.9-177.81760000110.5L33 L37 C158 G163 N164 E168 G169 I170L33-V166 HydrophobicContact CD1-CB 4.34Å; L33-V166 HydrophobicContact CD1-CG1 3.76Å; L33-V166 HydrophobicContact CD1-CG2 3.67Å; L37-V166 HydrophobicContact CD2-CG1 3.54Å; L37-V166 HydrophobicContact CG-CG1 4.24Å; C158-V166 HydrophobicContact CB-CG2 4.17Å; G163-V166 WeakPolarHBondContact O-CB 3.42Å; G163-V166 PolarHBondContact O-N 2.67Å; G163-V166 VanDerWaalsContact O-N 3.12Å; N164-V166 PolarHBondContact O-N 3.02Å; V166-E168 PolarHBondContact O-N 3.34Å; V166-G169 PolarHBondContact O-N 2.59Å; V166-I170 WeakPolarHBondContact O-CG1 3.33Å; V166-I170 PolarHBondContact O-N 2.86Å; V166-I170 VanDerWaalsContact O-N 3.08Å
167Q95.5Very high96.2Very high125 Ų12541 Ų4158%0.58421%0.214SC*.Hα-helixtrans-63.5-43.3-177.9-176-179.8-27.900111.6G169 I170 E171Q167-G169 VanDerWaalsContact C-N 3.28Å; Q167-G169 PolarHBondContact O-N 3.14Å; Q167-I170 PolarHBondContact O-N 2.89Å; Q167-I170 VanDerWaalsContact O-N 3.09Å; Q167-E171 HydrophobicContact CG-CG 4.49Å; Q167-E171 PolarHBondContact NE2-OE1 2.84Å; Q167-E171 WeakPolarHBondContact O-CG 3.47Å; Q167-E171 PolarHBondContact O-N 3.22Å
168E97.6Very high95.4Very high97 Ų9742.6 Ų42.645%0.45322%0.218SC..Hα-helixtrans-60.5-39.2178.5-62.488.6155.700111.3G165 V166 W172G165-E168 WeakPolarHBondContact CA-OE2 3.21Å; G165-E168 PolarHBondContact N-OE2 2.9Å; V166-E168 PolarHBondContact O-N 3.34Å; E168-W172 PolarHBondContact O-N 3.33Å; E168-W172 VanDerWaalsContact O-N 3.16Å
169G98.1Very high94.5Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-66-41.4173.900000112.7I122 G165 V166 Q167 W172 V173I122-G169 VanDerWaalsContact CD1-CA 3.44Å; I122-G169 WeakPolarHBondContact CD1-O 3.37Å; G165-G169 PolarHBondContact O-N 3.41Å; V166-G169 PolarHBondContact O-N 2.59Å; Q167-G169 VanDerWaalsContact C-N 3.28Å; Q167-G169 PolarHBondContact O-N 3.14Å; G169-W172 WeakPolarHBondContact O-CB 3.46Å; G169-W172 PolarHBondContact O-N 3.26Å; G169-V173 WeakPolarHBondContact O-CG2 3.34Å; G169-V173 PolarHBondContact O-N 3.15Å
170I96.4Very high93.2Very high4 Ų449.4 Ų49.42%0.02125%0.251CS..Hα-helixtrans-69.1-35.7177.3-64.3-59.1000112.3L37 L63 V166 Q167 W172 V173 I174L37-I170 HydrophobicContact CD1-CD1 3.9Å; L37-I170 HydrophobicContact CD1-CG1 4.46Å; L37-I170 HydrophobicContact CD2-CD1 3.98Å; L37-I170 HydrophobicContact CD2-CG1 3.6Å; L63-I170 HydrophobicContact CD1-CD1 4.47Å; L63-I170 HydrophobicContact CD1-CG2 4.07Å; V166-I170 WeakPolarHBondContact O-CG1 3.33Å; V166-I170 PolarHBondContact O-N 2.86Å; V166-I170 VanDerWaalsContact O-N 3.08Å; Q167-I170 PolarHBondContact O-N 2.89Å; Q167-I170 VanDerWaalsContact O-N 3.09Å; I170-W172 VanDerWaalsContact C-N 3.29Å; I170-W172 PolarHBondContact O-N 2.99Å; I170-V173 WeakPolarHBondContact O-CB 3.41Å; I170-V173 PolarHBondContact O-N 3.27Å; I170-V173 VanDerWaalsContact O-N 3.16Å; I170-I174 HydrophobicContact CG2-CD1 3.81Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.32Å; I170-I174 PolarHBondContact O-N 2.92Å
171E95.6Very high91.7Very high81 Ų8152 Ų5238%0.37927%0.269SS..Hα-helixtrans-58.9-42.4171.9-78.4172.3-170.100111.3Q59 Q167 I174 K175Q59-E171 VanDerWaalsContact NE2-CG 3.26Å; Q167-E171 HydrophobicContact CG-CG 4.49Å; Q167-E171 PolarHBondContact NE2-OE1 2.84Å; Q167-E171 WeakPolarHBondContact O-CG 3.47Å; Q167-E171 PolarHBondContact O-N 3.22Å; E171-I174 PolarHBondContact O-N 3.35Å; E171-K175 WeakPolarHBondContact O-CB 3.41Å; E171-K175 PolarHBondContact O-N 2.89Å
172W97Very high89.8Confident34 Ų3456.2 Ų56.213%0.12928%0.284CS..Hα-helixtrans-62.8-43.9172.9-177.189000112.2P120 L121 I122 P152 W153 Q154 E168 G169 I170 I174 K175 S176P120-W172 HydrophobicContact CB-CH2 3.89Å; P120-W172 HydrophobicContact CB-CZ3 4.4Å; L121-W172 WeakPolarHBondContact O-CH2 3.4Å; I122-W172 HydrophobicContact CB-CE3 3.75Å; I122-W172 HydrophobicContact CB-CH2 4.49Å; I122-W172 HydrophobicContact CB-CZ3 3.61Å; I122-W172 HydrophobicContact CD1-CE3 4.05Å; I122-W172 HydrophobicContact CG1-CE3 4.32Å; I122-W172 HydrophobicContact CG2-CE3 4.4Å; I122-W172 HydrophobicContact CG2-CZ3 4.24Å; P152-W172 HydrophobicContact CB-CZ2 4.4Å; W153-W172 VanDerWaalsContact C-CZ2 3.44Å; Q154-W172 HydrophobicContact CB-CD2 3.8Å; Q154-W172 VanDerWaalsContact CB-CE2 3.5Å; Q154-W172 HydrophobicContact CB-CE3 4.44Å; Q154-W172 HydrophobicContact CB-CG 4.05Å; Q154-W172 HydrophobicContact CB-CZ2 3.9Å; Q154-W172 HydrophobicContact CG-CG 4.43Å; E168-W172 PolarHBondContact O-N 3.33Å; E168-W172 VanDerWaalsContact O-N 3.16Å; G169-W172 WeakPolarHBondContact O-CB 3.46Å; G169-W172 PolarHBondContact O-N 3.26Å; I170-W172 VanDerWaalsContact C-N 3.29Å; I170-W172 PolarHBondContact O-N 2.99Å; W172-I174 VanDerWaalsContact C-N 3.34Å; W172-I174 PolarHBondContact O-N 2.97Å; W172-K175 PolarHBondContact O-N 3.31Å; W172-S176 VanDerWaalsContact CE2-OG 3.27Å; W172-S176 WeakPolarHBondContact CZ2-OG 3.1Å; W172-S176 WeakPolarHBondContact O-CB 3.16Å; W172-S176 PolarHBondContact O-N 3.03Å; W172-S176 PolarHBondContact O-OG 3.34Å; W172-S176 VanDerWaalsContact O-OG 3.07Å
173V95.5Very high87.8Confident0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-54.3-50.3176.6166.70000110.9I20 I87 I122 G169 I170 K175 S176 V177I20-V173 HydrophobicContact CD1-CG1 3.92Å; I87-V173 HydrophobicContact CB-CG1 4.46Å; I87-V173 HydrophobicContact CG1-CG1 4.13Å; I87-V173 HydrophobicContact CG2-CG1 4.18Å; I87-V173 HydrophobicContact CG2-CG2 4.13Å; I122-V173 HydrophobicContact CG2-CG2 3.8Å; G169-V173 WeakPolarHBondContact O-CG2 3.34Å; G169-V173 PolarHBondContact O-N 3.15Å; I170-V173 WeakPolarHBondContact O-CB 3.41Å; I170-V173 PolarHBondContact O-N 3.27Å; I170-V173 VanDerWaalsContact O-N 3.16Å; V173-K175 PolarHBondContact O-N 3.48Å; V173-S176 PolarHBondContact O-N 3.48Å; V173-V177 PolarHBondContact O-N 3.45Å
174I92.4Very high85.5Confident8 Ų869 Ų694%0.04133%0.333CS..Hα-helixtrans-65.1-41.4-179.4-69.5159.5000111.3Q59 F61 I170 E171 W172 S176 V177 N178Q59-I174 HydrophobicContact CB-CD1 3.96Å; Q59-I174 HydrophobicContact CG-CD1 3.95Å; F61-I174 HydrophobicContact CD2-CG1 4.21Å; F61-I174 HydrophobicContact CD2-CG2 3.6Å; F61-I174 HydrophobicContact CE2-CG2 3.39Å; F61-I174 HydrophobicContact CG-CG2 4.48Å; F61-I174 HydrophobicContact CZ-CG2 4.12Å; I170-I174 HydrophobicContact CG2-CD1 3.81Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.32Å; I170-I174 PolarHBondContact O-N 2.92Å; E171-I174 PolarHBondContact O-N 3.35Å; W172-I174 VanDerWaalsContact C-N 3.34Å; W172-I174 PolarHBondContact O-N 2.97Å; I174-S176 PolarHBondContact O-N 3.37Å; I174-V177 PolarHBondContact O-N 3.47Å; I174-N178 PolarHBondContact O-N 2.58Å; I174-N178 VanDerWaalsContact O-N 3.16Å; I174-N178 PolarHBondContact O-ND2 3.13Å
175K92.3Very high84.8Confident145 Ų14566.7 Ų66.763%0.6332%0.319SS*.Hα-helixtrans-64.3-39.2177.3-174.3-179.7177.9-177.50112.3E171 W172 V173 N178 T179E171-K175 WeakPolarHBondContact O-CB 3.41Å; E171-K175 PolarHBondContact O-N 2.89Å; W172-K175 PolarHBondContact O-N 3.31Å; V173-K175 PolarHBondContact O-N 3.48Å; K175-N178 PolarHBondContact O-N 3.27Å; K175-T179 PolarHBondContact O-N 3.4Å; K175-T179 PolarHBondContact O-OG1 2.9Å
176S91.6Very high84.1Confident15 Ų1569.8 Ų69.811%0.10533%0.331CS..Hα-helixtrans-63.2-41.7178.7-71.40000111.8W172 V173 I174 T179 R180W172-S176 VanDerWaalsContact CE2-OG 3.27Å; W172-S176 WeakPolarHBondContact CZ2-OG 3.1Å; W172-S176 WeakPolarHBondContact O-CB 3.16Å; W172-S176 PolarHBondContact O-N 3.03Å; W172-S176 PolarHBondContact O-OG 3.34Å; W172-S176 VanDerWaalsContact O-OG 3.07Å; V173-S176 PolarHBondContact O-N 3.48Å; I174-S176 PolarHBondContact O-N 3.37Å; S176-T179 PolarHBondContact O-N 3.21Å; S176-R180 PolarHBondContact O-N 3.07Å; S176-R180 VanDerWaalsContact O-N 3.11Å
177V86.4Confident83.3Confident18 Ų1873.4 Ų73.411%0.10935%0.349CS..Hα-helixtrans-66.1-43.4175.9174.30000112I18 I87 V173 I174 T179 R180 S181I18-V177 HydrophobicContact CD1-CB 4.01Å; I18-V177 HydrophobicContact CD1-CG1 4.08Å; I18-V177 HydrophobicContact CD1-CG2 3.76Å; I18-V177 HydrophobicContact CG1-CB 4.47Å; I18-V177 HydrophobicContact CG1-CG1 4.1Å; I18-V177 HydrophobicContact CG1-CG2 4.08Å; I18-V177 HydrophobicContact CG2-CG2 3.86Å; I87-V177 HydrophobicContact CD1-CG2 3.77Å; I87-V177 HydrophobicContact CG1-CG2 3.66Å; V173-V177 PolarHBondContact O-N 3.45Å; I174-V177 PolarHBondContact O-N 3.47Å; V177-T179 VanDerWaalsContact C-N 3.31Å; V177-T179 PolarHBondContact O-N 2.95Å; V177-R180 PolarHBondContact O-N 3.14Å; V177-S181 WeakPolarHBondContact O-CB 3.06Å; V177-S181 PolarHBondContact O-N 3.22Å; V177-S181 PolarHBondContact O-OG 3Å
178N81.9Confident82.6Confident53 Ų5370.4 Ų70.428%0.28334%0.335SS..Hα-helixtrans-62.5-38.9178.3-80.6-51.2000112.5F61 I174 K175 S181 K182F61-N178 WeakPolarHBondContact CZ-ND2 3.29Å; F61-N178 WeakPolarHBondContact CZ-OD1 3.47Å; I174-N178 PolarHBondContact O-N 2.58Å; I174-N178 VanDerWaalsContact O-N 3.16Å; I174-N178 PolarHBondContact O-ND2 3.13Å; K175-N178 PolarHBondContact O-N 3.27Å; N178-S181 PolarHBondContact O-N 3.17Å; N178-K182 WeakPolarHBondContact O-CG 3.24Å; N178-K182 PolarHBondContact O-N 3.05Å
179T79.6Confident81.7Confident71 Ų7168.8 Ų68.844%0.43633%0.327SS..Hα-helixtrans-65.5-44.5176.7-53.60000110.9K175 S176 V177 S181 K182 M183K175-T179 PolarHBondContact O-N 3.4Å; K175-T179 PolarHBondContact O-OG1 2.9Å; S176-T179 PolarHBondContact O-N 3.21Å; V177-T179 VanDerWaalsContact C-N 3.31Å; V177-T179 PolarHBondContact O-N 2.95Å; T179-S181 VanDerWaalsContact C-N 3.34Å; T179-S181 PolarHBondContact O-N 3.07Å; T179-K182 PolarHBondContact O-N 2.88Å; T179-M183 HydrophobicContact CG2-CE 4.21Å; T179-M183 PolarHBondContact O-N 2.83Å
180R72.2Confident80.6Confident77 Ų7773.3 Ų73.329%0.29135%0.349SS..Hα-helixtrans-64.1-37.4177.8-165.2176.6-176.9-174.92.1112.7S176 V177 K182 M183 K184S176-R180 PolarHBondContact O-N 3.07Å; S176-R180 VanDerWaalsContact O-N 3.11Å; V177-R180 PolarHBondContact O-N 3.14Å; R180-K182 VanDerWaalsContact C-N 3.26Å; R180-K182 PolarHBondContact O-N 3.16Å; R180-M183 PolarHBondContact O-N 2.99Å; R180-K184 PolarHBondContact O-N 2.64Å
181S66.5Low79.4Confident56 Ų5678.3 Ų78.339%0.39237%0.373SS..Hα-helixtrans-68.6-22.4178.2-58.20000113.5V177 N178 T179V177-S181 WeakPolarHBondContact O-CB 3.06Å; V177-S181 PolarHBondContact O-N 3.22Å; V177-S181 PolarHBondContact O-OG 3Å; N178-S181 PolarHBondContact O-N 3.17Å; T179-S181 VanDerWaalsContact C-N 3.34Å; T179-S181 PolarHBondContact O-N 3.07Å
182K59.1Low78.2Confident184 Ų18478.1 Ų78.180%0.837%0.372SS*.Hα-helixtrans-86.5-16.4175.4-70.8177.9-178.9-179.50113.6N178 T179 R180N178-K182 WeakPolarHBondContact O-CG 3.24Å; N178-K182 PolarHBondContact O-N 3.05Å; T179-K182 PolarHBondContact O-N 2.88Å; R180-K182 VanDerWaalsContact C-N 3.26Å; R180-K182 PolarHBondContact O-N 3.16Å
183M54.4Low76.6Confident142 Ų14281.8 Ų81.870%0.739%0.392SS*.Hα-helixtrans-93.9-16.2179.2-67.1-174-63.400113.2T179 R180T179-M183 HydrophobicContact CG2-CE 4.21Å; T179-M183 PolarHBondContact O-N 2.83Å; R180-M183 PolarHBondContact O-N 2.99Å
184K47.9Very low74.9Confident212 Ų21289.2 Ų89.292%0.92243%0.428SS*.  trans-84.30168.6-69.8-174178.3-177.80109.8R180R180-K184 PolarHBondContact O-N 2.64Å

Retrieved 184 of 184 residues in 319.5 ms (Link to these results)

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