A0A077ZK44_TRITR Loading...

Cysteine synthase

AlphaFold DB , UniProt , Accession A0A077ZK44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M43Very low72.1Confident242 Ų242179 Ų179100%1.19282%0.816SS**  0102.50-167.1178.798.600107
2E43.4Very low74.2Confident190 Ų190167.3 Ų167.389%0.88877%0.771SS**  trans-165.493.3158.9-125.6175.7-177.800109.6
3R56.8Low76.1Confident213 Ų213161.1 Ų161.180%0.80475%0.745SS**  trans-140.968.6159.3-79.7-167.6177.3-173.8-0.6108.1K5R3-K5 PolarHBondContact O-N 2.67Å
4R52.9Low77.7Confident244 Ų244150.4 Ų150.492%0.92170%0.697SS**  trans-72.274.1146.9-81.2-176.3174173.4-1.6106.3M6R4-M6 PolarHBondContact O-N 3.09Å
5K67.9Low79Confident163 Ų163146 Ų14671%0.70968%0.68SS**  trans-60.4110.5160.3-85-171.1174.2-171.70104.3R3 T7R3-K5 PolarHBondContact O-N 2.67Å; K5-T7 PolarHBondContact O-N 2.61Å
6M71Confident80.2Confident170 Ų170139.5 Ų139.584%0.83765%0.654SS**PPolyproline II helixtrans-56.9129.6175-67.3-154.1-66.700108.1R4 K8R4-M6 PolarHBondContact O-N 3.09Å; M6-K8 PolarHBondContact O-N 2.89Å
7T85Confident81.2Confident141 Ų141132.9 Ų132.987%0.86562%0.624SS**PPolyproline II helixtrans-58123.9173.8-53.10000108.2K5K5-T7 PolarHBondContact O-N 2.61Å
8K88.6Confident82.2Confident152 Ų152126.1 Ų126.166%0.66160%0.595SS**PPolyproline II helixtrans-84.6142.4174.2-66.9-176.5179.6-179.10109.3M6 Y10M6-K8 PolarHBondContact O-N 2.89Å; K8-Y10 HydrophobicContact CB-CE2 4.03Å
9I93.8Very high82.9Confident155 Ų155127.9 Ų127.980%0.79560%0.603SS**PPolyproline II helixtrans-89.9128.6167.3-62.6175.8000107.2
10Y95.4Very high83.7Confident112 Ų112121.9 Ų121.944%0.43958%0.575SS.*  trans-106.9151.7173.1-65.5-80.9000109.3K8 D15 T16K8-Y10 HydrophobicContact CB-CE2 4.03Å; Y10-D15 HydrophobicContact CD1-CB 3.6Å; Y10-D15 HydrophobicContact CE1-CB 4.47Å; Y10-D15 WeakPolarHBondContact CE1-O 3.14Å; Y10-D15 HydrophobicContact CG-CB 4.27Å; Y10-T16 HydrophobicContact CD1-CG2 4.23Å; Y10-T16 HydrophobicContact CD2-CG2 3.63Å; Y10-T16 HydrophobicContact CE2-CG2 4Å; Y10-T16 HydrophobicContact CG-CG2 3.74Å
11H95.7Very high84.4Confident187 Ų187118.1 Ų118.187%0.86656%0.561SS**SBendtrans-93.8-19.2-178.5-68.1-69.7000112.5D15H11-D15 PolarHBondContact N-OD2 3.3Å
12S97.4Very high87Confident39 Ų39108.9 Ų108.927%0.27352%0.516SS..SBendtrans-141.4154.9174-179.80000110.6L14 D15S12-L14 PolarHBondContact O-N 3.05Å; S12-L14 WeakPolarHBondContact OG-CG 3.47Å; S12-L14 PolarHBondContact OG-N 3.04Å; S12-L14 VanDerWaalsContact OG-N 3.15Å; S12-D15 PolarHBondContact N-OD2 3.49Å; S12-D15 WeakPolarHBondContact O-CB 3.45Å; S12-D15 PolarHBondContact O-N 2.98Å
13I98Very high89.6Confident86 Ų86102.4 Ų102.444%0.44149%0.489SS..G310 helixtrans-59.5-29.1167.8-168.960.9000111.3D15 T16 P45 A91I13-D15 PolarHBondContact O-N 3.12Å; I13-T16 WeakPolarHBondContact O-CB 3.39Å; I13-T16 PolarHBondContact O-N 3.23Å; I13-T16 VanDerWaalsContact O-N 3.08Å; I13-T16 PolarHBondContact O-OG1 3.28Å; I13-P45 HydrophobicContact CD1-CB 3.63Å; I13-P45 HydrophobicContact CD1-CG 4.41Å; I13-P45 HydrophobicContact CG1-CB 3.65Å; I13-P45 HydrophobicContact CG1-CG 4.12Å; I13-A91 HydrophobicContact CG2-CB 4.04Å
14L98.4Very high91.6Very high12 Ų1297.3 Ų97.36%0.06347%0.473CS..G310 helixtrans-65.1-29179-55.7-179.8000112.4S12 T16 I17 L55 M87 V88 A91 K92S12-L14 PolarHBondContact O-N 3.05Å; S12-L14 WeakPolarHBondContact OG-CG 3.47Å; S12-L14 PolarHBondContact OG-N 3.04Å; S12-L14 VanDerWaalsContact OG-N 3.15Å; L14-T16 PolarHBondContact O-N 3.1Å; L14-T16 VanDerWaalsContact O-N 3.17Å; L14-I17 HydrophobicContact CD2-CD1 3.97Å; L14-I17 WeakPolarHBondContact O-CB 3.23Å; L14-I17 PolarHBondContact O-N 3.41Å; L14-I17 VanDerWaalsContact O-N 3.16Å; L14-L55 HydrophobicContact CB-CD1 4.18Å; L14-L55 HydrophobicContact CB-CD2 4.24Å; L14-L55 HydrophobicContact CD1-CD1 3.84Å; L14-L55 HydrophobicContact CD2-CD1 4.39Å; L14-L55 HydrophobicContact CG-CD1 4.35Å; L14-M87 HydrophobicContact CD2-CE 4.5Å; L14-V88 HydrophobicContact CD2-CB 4.4Å; L14-V88 HydrophobicContact CD2-CG2 3.81Å; L14-A91 HydrophobicContact CD1-CB 3.8Å; L14-A91 HydrophobicContact CD2-CB 4Å; L14-A91 HydrophobicContact CG-CB 3.82Å; L14-K92 HydrophobicContact CD1-CD 4.22Å; L14-K92 HydrophobicContact CD1-CG 3.81Å
15D97.7Very high93.8Very high84 Ų8485.8 Ų85.845%0.44943%0.429SS..G310 helixtrans-70.1-9.9176.9-51.7-30.2000112.5Y10 H11 S12 I13Y10-D15 HydrophobicContact CD1-CB 3.6Å; Y10-D15 HydrophobicContact CE1-CB 4.47Å; Y10-D15 WeakPolarHBondContact CE1-O 3.14Å; Y10-D15 HydrophobicContact CG-CB 4.27Å; H11-D15 PolarHBondContact N-OD2 3.3Å; S12-D15 PolarHBondContact N-OD2 3.49Å; S12-D15 WeakPolarHBondContact O-CB 3.45Å; S12-D15 PolarHBondContact O-N 2.98Å; I13-D15 PolarHBondContact O-N 3.12Å
16T97.5Very high95.1Very high42 Ų4285.7 Ų85.726%0.25843%0.429SS..G310 helixtrans-94.9-2.5176.673.60000113.3Y10 I13 L14 G18 P45Y10-T16 HydrophobicContact CD1-CG2 4.23Å; Y10-T16 HydrophobicContact CD2-CG2 3.63Å; Y10-T16 HydrophobicContact CE2-CG2 4Å; Y10-T16 HydrophobicContact CG-CG2 3.74Å; I13-T16 WeakPolarHBondContact O-CB 3.39Å; I13-T16 PolarHBondContact O-N 3.23Å; I13-T16 VanDerWaalsContact O-N 3.08Å; I13-T16 PolarHBondContact O-OG1 3.28Å; L14-T16 PolarHBondContact O-N 3.1Å; L14-T16 VanDerWaalsContact O-N 3.17Å; T16-G18 PolarHBondContact O-N 3.2Å; T16-P45 WeakPolarHBondContact OG1-CG 3.41Å
17I98.6Very high96.4Very high28 Ų2881.9 Ų81.914%0.14441%0.412CS..SBendtrans-71.4127.6175-65172.5000108.9L14 P45 D51 R52 L55 M87L14-I17 HydrophobicContact CD2-CD1 3.97Å; L14-I17 WeakPolarHBondContact O-CB 3.23Å; L14-I17 PolarHBondContact O-N 3.41Å; L14-I17 VanDerWaalsContact O-N 3.16Å; I17-P45 HydrophobicContact CG1-CG 3.68Å; I17-D51 HydrophobicContact CD1-CB 4.12Å; I17-D51 HydrophobicContact CG1-CB 4.19Å; I17-D51 HydrophobicContact CG2-CB 4.18Å; I17-R52 HydrophobicContact CG2-CB 4.35Å; I17-R52 HydrophobicContact CG2-CG 3.81Å; I17-L55 HydrophobicContact CD1-CB 3.98Å; I17-L55 HydrophobicContact CD1-CD2 3.99Å; I17-M87 HydrophobicContact CD1-CE 3.84Å; I17-M87 HydrophobicContact CG1-CE 4.4Å
18G98.1Very high97Very high10 Ų1076 Ų7610%0.10338%0.375CS..SBendtrans99.4-165.9-176.500000113.9T16 T20 N44T16-G18 PolarHBondContact O-N 3.2Å; G18-T20 PolarHBondContact O-N 3.41Å; G18-N44 PolarHBondContact N-OD1 3.3Å
19E96.5Very high97.2Very high160 Ų16070.4 Ų70.475%0.74835%0.354SS*.  trans51.830.6-177.9-61.8-63.9145.100113.6E166E19-E166 PolarHBondContact N-OE1 3.06Å; E19-E166 PolarHBondContact N-OE2 3.38Å
20T98.2Very high97.3Very high8 Ų867 Ų675%0.04934%0.34CS..  trans-70.2151.9-177.861.70000110.8G18 K39 L40 E41 F43 R52G18-T20 PolarHBondContact O-N 3.41Å; T20-K39 PolarHBondContact O-NZ 3.23Å; T20-K39 WeakPolarHBondContact OG1-CE 3.27Å; T20-K39 PolarHBondContact OG1-NZ 3.03Å; T20-L40 WeakPolarHBondContact CB-O 3.06Å; T20-E41 PolarHBondContact OG1-OE1 3.23Å; T20-F43 HydrophobicContact CG2-CB 4.11Å; T20-R52 PolarHBondContact OG1-NH2 3.2Å
21P97.8Very high97.2Very high43 Ų4369.1 Ų69.128%0.27936%0.359SS..  trans-74.6152.5-173.529-32.2000112.7L40 F43P21-L40 HydrophobicContact CG-CB 4.2Å; P21-L40 HydrophobicContact CG-CD1 4.42Å; P21-L40 PolarHBondContact O-N 2.82Å; P21-F43 VanDerWaalsContact CD-CG 3.46Å; P21-F43 HydrophobicContact CG-CB 4.41Å; P21-F43 HydrophobicContact CG-CD1 3.93Å; P21-F43 HydrophobicContact CG-CD2 3.67Å; P21-F43 HydrophobicContact CG-CE1 4.07Å; P21-F43 HydrophobicContact CG-CE2 3.82Å; P21-F43 HydrophobicContact CG-CG 3.73Å; P21-F43 HydrophobicContact CG-CZ 4.02Å
22I98.7Very high97.1Very high47 Ų4768.6 Ų68.624%0.24136%0.357CS..EExtended strand (participates in β ladder)trans-108.1129.2163.1-67163.3000107.5Y37 V38 K39 I167 A170 F171 L294I22-Y37 HydrophobicContact CG2-CD1 4.1Å; I22-Y37 HydrophobicContact CG2-CG 4.45Å; I22-V38 CarbonylContact C-O 3.52Å; I22-V38 VanDerWaalsContact CA-O 3.29Å; I22-V38 WeakPolarHBondContact CA-O 3.45Å; I22-K39 HydrophobicContact CD1-CD 4.1Å; I22-K39 HydrophobicContact CG1-CB 4.3Å; I22-K39 HydrophobicContact CG1-CD 3.5Å; I22-I167 HydrophobicContact CD1-CG1 4.24Å; I22-A170 HydrophobicContact CD1-CB 3.64Å; I22-F171 HydrophobicContact CD1-CE2 4.05Å; I22-F171 HydrophobicContact CG2-CE2 4.3Å; I22-F171 HydrophobicContact CG2-CZ 4.22Å; I22-L294 HydrophobicContact CG1-CD1 4.4Å; I22-L294 HydrophobicContact CG2-CD1 3.94Å
23V98.5Very high97.2Very high54 Ų5467.1 Ų67.133%0.32735%0.346SS..EExtended strand (participates in β ladder)trans-120.5130-178.6-179.20000109.1Y37 V38 L40 I267V23-Y37 CarbonylContact O-C 3.51Å; V23-Y37 VanDerWaalsContact O-CA 3.32Å; V23-Y37 WeakPolarHBondContact O-CA 3.23Å; V23-V38 HydrophobicContact CB-CG2 3.96Å; V23-V38 PolarHBondContact N-O 3.38Å; V23-V38 WeakPolarHBondContact O-CG2 2.8Å; V23-V38 PolarHBondContact O-N 3.11Å; V23-L40 HydrophobicContact CB-CD1 4.48Å; V23-L40 HydrophobicContact CG2-CD1 3.74Å; V23-L40 HydrophobicContact CG2-CG 4.44Å; V23-I267 HydrophobicContact CG1-CD1 4.37Å
24K98.1Very high97.2Very high107 Ų10763 Ų6347%0.46533%0.325SS..EExtended strand (participates in β ladder)trans-77.5127.6170.5-175.2177172.5172.80108.8Y37K24-Y37 HydrophobicContact CB-CD1 3.73Å; K24-Y37 HydrophobicContact CB-CE1 3.63Å; K24-Y37 HydrophobicContact CD-CE1 4.01Å; K24-Y37 HydrophobicContact CG-CD1 4.17Å; K24-Y37 HydrophobicContact CG-CE1 3.85Å
25L98.5Very high97.1Very high1 Ų164.8 Ų64.81%0.00533%0.333CS..  trans-73.1149.6173-58.6-167.1000110.3M28 T29 I36 V38 I261 E265 I267 L277L25-M28 HydrophobicContact CD1-CB 4.45Å; L25-T29 HydrophobicContact CB-CG2 4.04Å; L25-I36 HydrophobicContact CB-CB 4.46Å; L25-I36 HydrophobicContact CD1-CB 4.28Å; L25-I36 HydrophobicContact CD1-CG2 3.79Å; L25-I36 HydrophobicContact CG-CB 4.45Å; L25-I36 HydrophobicContact CG-CG2 4.17Å; L25-I36 PolarHBondContact N-O 2.86Å; L25-V38 HydrophobicContact CD1-CG1 3.92Å; L25-V38 HydrophobicContact CD2-CB 4.47Å; L25-V38 HydrophobicContact CD2-CG1 3.88Å; L25-V38 HydrophobicContact CD2-CG2 3.7Å; L25-V38 HydrophobicContact CG-CG1 3.94Å; L25-V38 HydrophobicContact CG-CG2 4.49Å; L25-I261 HydrophobicContact CD2-CD1 4.23Å; L25-E265 HydrophobicContact CD2-CG 4.06Å; L25-I267 HydrophobicContact CD2-CD1 4.12Å; L25-L277 HydrophobicContact CD1-CD1 3.63Å; L25-L277 HydrophobicContact CD1-CD2 4.42Å
26K96.2Very high97.2Very high161 Ų16160.8 Ų60.870%0.731%0.311SS*.SBendtrans-129-43.8-175.6-176.2-175.5175-173.60112.6T29 E265K26-T29 PolarHBondContact O-OG1 2.96Å; K26-E265 PolarHBondContact N-OE1 2.95Å
27N97.5Very high97.3Very high91 Ų9160.7 Ų60.749%0.48731%0.307SS..SBendtrans-99.1-6.9-170.2-58.2-37.4000112.8K264 E265N27-K264 HydrophobicContact CB-CB 4.13Å; N27-K264 WeakPolarHBondContact CB-O 3.31Å; N27-K264 PolarHBondContact ND2-O 3.17Å; N27-E265 WeakPolarHBondContact CA-OE1 3.5Å; N27-E265 PolarHBondContact N-OE1 2.88Å
28M97.1Very high97.3Very high18 Ų1859.3 Ų59.39%0.08930%0.3CS..SBendtrans-104.45.1171.1-64-172.678.500113.7L25 T257 E260 I261 K264 E265 L277 I281L25-M28 HydrophobicContact CD1-CB 4.45Å; M28-T257 HydrophobicContact CE-CG2 4.19Å; M28-E260 HydrophobicContact CE-CB 4.01Å; M28-E260 HydrophobicContact CE-CG 3.87Å; M28-I261 HydrophobicContact CE-CB 4.32Å; M28-I261 WeakPolarHBondContact SD-CA 3.44Å; M28-I261 HydrophobicContact SD-CB 3.51Å; M28-I261 VanDerWaalsContact SD-CB 3.51Å; M28-I261 HydrophobicContact SD-CG1 3.83Å; M28-K264 HydrophobicContact CG-CB 3.93Å; M28-K264 HydrophobicContact CG-CD 3.93Å; M28-E265 HydrophobicContact CG-CG 3.95Å; M28-E265 PolarHBondContact N-OE1 2.75Å; M28-E265 HydrophobicContact SD-CG 4.11Å; M28-L277 HydrophobicContact CE-CD2 4.11Å; M28-L277 HydrophobicContact SD-CD2 4.04Å; M28-I281 HydrophobicContact CB-CD1 4.5Å; M28-I281 HydrophobicContact CE-CD1 3.7Å
29T94.3Very high97.3Very high34 Ų3459 Ų5921%0.20930%0.295CS..  trans-121.7154-178.360.60000111.1L25 K26 M33 I36L25-T29 HydrophobicContact CB-CG2 4.04Å; K26-T29 PolarHBondContact O-OG1 2.96Å; T29-M33 HydrophobicContact CG2-CE 3.5Å; T29-I36 HydrophobicContact CG2-CB 3.95Å; T29-I36 HydrophobicContact CG2-CD1 4.11Å; T29-I36 HydrophobicContact CG2-CG1 4Å
30T94.2Very high97.4Very high83 Ų8351.6 Ų51.651%0.50926%0.261SS..  trans-111.9165.1171.2690000110.4E32 M33T30-E32 PolarHBondContact O-N 3.45Å; T30-M33 HydrophobicContact CG2-SD 4.48Å; T30-M33 PolarHBondContact N-SD 3.5Å; T30-M33 VanDerWaalsContact O-CG 3.23Å; T30-M33 WeakPolarHBondContact O-CG 3.32Å; T30-M33 PolarHBondContact O-N 2.83Å; T30-M33 WeakPolarHBondContact OG1-CG 3.08Å
31D93.3Very high97.4Very high157 Ų15751.2 Ų51.284%0.8426%0.259SS*.THydrogen-bonded Turntrans-73-8.6179.2-66.6-31.1000113.4S289D31-S289 WeakPolarHBondContact O-CB 3.28Å; D31-S289 PolarHBondContact O-OG 3.45Å
32E95.1Very high97.4Very high175 Ų17550.4 Ų50.482%0.81825%0.254SS*.THydrogen-bonded Turntrans-93.4-13.2-178.9-63.1179.3-175.800113.2T30T30-E32 PolarHBondContact O-N 3.45Å
33M97.8Very high97.4Very high8 Ų854.5 Ų54.54%0.03927%0.27CS..SBendtrans-111.2163.2-175.762.1-177.2-105.400112.1T29 T30 I36 A284 K285 S289T29-M33 HydrophobicContact CG2-CE 3.5Å; T30-M33 HydrophobicContact CG2-SD 4.48Å; T30-M33 PolarHBondContact N-SD 3.5Å; T30-M33 VanDerWaalsContact O-CG 3.23Å; T30-M33 WeakPolarHBondContact O-CG 3.32Å; T30-M33 PolarHBondContact O-N 2.83Å; T30-M33 WeakPolarHBondContact OG1-CG 3.08Å; M33-I36 HydrophobicContact CE-CD1 3.59Å; M33-I36 HydrophobicContact CE-CG1 4.09Å; M33-A284 VanDerWaalsContact CB-O 3.31Å; M33-A284 WeakPolarHBondContact CB-O 3.49Å; M33-A284 HydrophobicContact CE-CB 3.92Å; M33-K285 HydrophobicContact SD-CG 4.43Å; M33-S289 WeakPolarHBondContact O-CA 3.46Å
34A98.1Very high97.4Very high0 Ų052.2 Ų52.20%026%0.256CS..PPolyproline II helixtrans-56.9148.7174.400000112.9I36 A284 M287 T288 Q291 V293A34-I36 PolarHBondContact O-N 3.42Å; A34-A284 HydrophobicContact CB-CB 4.03Å; A34-A284 PolarHBondContact N-O 3.35Å; A34-A284 VanDerWaalsContact N-O 3.1Å; A34-M287 HydrophobicContact CB-CB 3.54Å; A34-M287 HydrophobicContact CB-CE 4.28Å; A34-M287 HydrophobicContact CB-SD 4.32Å; A34-T288 VanDerWaalsContact CA-O 3.29Å; A34-T288 WeakPolarHBondContact CA-O 3.47Å; A34-Q291 HydrophobicContact CB-CB 4.01Å; A34-Q291 WeakPolarHBondContact CB-O 3.42Å; A34-V293 HydrophobicContact CB-CG2 4Å
35Q98.2Very high97.4Very high49 Ų4949 Ų4923%0.22925%0.246CC..EExtended strand (participates in β ladder)trans-70.8129177.7-61.4172.75400109.7Y37 S289 Q291 K292 V293Q35-Y37 HydrophobicContact CB-CE2 3.78Å; Q35-Y37 PolarHBondContact OE1-OH 3.14Å; Q35-S289 PolarHBondContact NE2-O 2.89Å; Q35-Q291 PolarHBondContact N-O 3.37Å; Q35-K292 HydrophobicContact CB-CG 4.47Å; Q35-K292 WeakPolarHBondContact O-CA 3.43Å; Q35-V293 PolarHBondContact O-N 3.27Å
36I98.7Very high97.3Very high0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-103.3130.3178.4-57-179000110.1L25 T29 M33 A34 L277 I281 A284 V293 V295L25-I36 HydrophobicContact CB-CB 4.46Å; L25-I36 HydrophobicContact CD1-CB 4.28Å; L25-I36 HydrophobicContact CD1-CG2 3.79Å; L25-I36 HydrophobicContact CG-CB 4.45Å; L25-I36 HydrophobicContact CG-CG2 4.17Å; L25-I36 PolarHBondContact N-O 2.86Å; T29-I36 HydrophobicContact CG2-CB 3.95Å; T29-I36 HydrophobicContact CG2-CD1 4.11Å; T29-I36 HydrophobicContact CG2-CG1 4Å; M33-I36 HydrophobicContact CE-CD1 3.59Å; M33-I36 HydrophobicContact CE-CG1 4.09Å; A34-I36 PolarHBondContact O-N 3.42Å; I36-L277 HydrophobicContact CG2-CD1 4.15Å; I36-I281 HydrophobicContact CD1-CB 4.29Å; I36-I281 HydrophobicContact CD1-CG1 3.57Å; I36-A284 HydrophobicContact CD1-CB 3.79Å; I36-A284 HydrophobicContact CG1-CB 3.88Å; I36-V293 WeakPolarHBondContact CA-O 3.35Å; I36-V295 HydrophobicContact CG2-CG2 3.92Å
37Y98.8Very high97.3Very high40 Ų4041.9 Ų41.916%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-117.5145.3172.3-62.1-100.9000109.1I22 V23 K24 Q35 F171 K292 V293 L294 V295I22-Y37 HydrophobicContact CG2-CD1 4.1Å; I22-Y37 HydrophobicContact CG2-CG 4.45Å; V23-Y37 CarbonylContact O-C 3.51Å; V23-Y37 VanDerWaalsContact O-CA 3.32Å; V23-Y37 WeakPolarHBondContact O-CA 3.23Å; K24-Y37 HydrophobicContact CB-CD1 3.73Å; K24-Y37 HydrophobicContact CB-CE1 3.63Å; K24-Y37 HydrophobicContact CD-CE1 4.01Å; K24-Y37 HydrophobicContact CG-CD1 4.17Å; K24-Y37 HydrophobicContact CG-CE1 3.85Å; Q35-Y37 HydrophobicContact CB-CE2 3.78Å; Q35-Y37 PolarHBondContact OE1-OH 3.14Å; Y37-F171 HydrophobicContact CD1-CE1 4.11Å; Y37-F171 AromaticContact CD1-CZ 3.9Å; Y37-F171 HydrophobicContact CD1-CZ 3.9Å; Y37-F171 AromaticContact CD2-CE1 3.91Å; Y37-F171 HydrophobicContact CD2-CE1 3.91Å; Y37-F171 HydrophobicContact CD2-CZ 4Å; Y37-F171 HydrophobicContact CE1-CE1 4.16Å; Y37-F171 HydrophobicContact CE1-CZ 4.4Å; Y37-F171 HydrophobicContact CE2-CE1 4Å; Y37-F171 AromaticContact CG-CE1 3.97Å; Y37-F171 HydrophobicContact CG-CE1 3.97Å; Y37-F171 AromaticContact CG-CZ 3.67Å; Y37-F171 HydrophobicContact CG-CZ 3.67Å; Y37-K292 HydrophobicContact CD2-CB 4.43Å; Y37-K292 HydrophobicContact CE2-CB 4.08Å; Y37-K292 HydrophobicContact CE2-CD 4.25Å; Y37-K292 HydrophobicContact CE2-CG 3.97Å; Y37-V293 PolarHBondContact N-O 2.85Å; Y37-L294 CarbonylContact O-C 3.6Å; Y37-L294 WeakPolarHBondContact O-CA 3.41Å; Y37-V295 PolarHBondContact O-N 3.04Å
38V98.8Very high97.3Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-120.5127.6178.2-64.80000110.5I22 V23 L25 L40 I267 L277 V295 L297I22-V38 CarbonylContact C-O 3.52Å; I22-V38 VanDerWaalsContact CA-O 3.29Å; I22-V38 WeakPolarHBondContact CA-O 3.45Å; V23-V38 HydrophobicContact CB-CG2 3.96Å; V23-V38 PolarHBondContact N-O 3.38Å; V23-V38 WeakPolarHBondContact O-CG2 2.8Å; V23-V38 PolarHBondContact O-N 3.11Å; L25-V38 HydrophobicContact CD1-CG1 3.92Å; L25-V38 HydrophobicContact CD2-CB 4.47Å; L25-V38 HydrophobicContact CD2-CG1 3.88Å; L25-V38 HydrophobicContact CD2-CG2 3.7Å; L25-V38 HydrophobicContact CG-CG1 3.94Å; L25-V38 HydrophobicContact CG-CG2 4.49Å; V38-L40 HydrophobicContact CB-CD2 4.11Å; V38-L40 HydrophobicContact CG2-CD2 3.7Å; V38-L40 HydrophobicContact CG2-CG 4.23Å; V38-I267 HydrophobicContact CG2-CD1 3.98Å; V38-L277 HydrophobicContact CG1-CD1 4.35Å; V38-V295 CarbonylContact C-O 3.24Å; V38-V295 WeakPolarHBondContact CA-O 3.42Å; V38-V295 HydrophobicContact CG1-CB 4.44Å; V38-L297 HydrophobicContact CB-CD1 3.78Å; V38-L297 HydrophobicContact CB-CG 4Å; V38-L297 HydrophobicContact CG1-CD1 3.83Å; V38-L297 HydrophobicContact CG1-CD2 4.48Å; V38-L297 HydrophobicContact CG1-CG 4.18Å; V38-L297 HydrophobicContact CG2-CD1 4.33Å
39K98.8Very high97.4Very high2 Ų236.7 Ų36.71%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-89.9110.6171.8179.365.5167.1172.10108.4T20 I22 E41 E166 L294 V295 L296 L297T20-K39 PolarHBondContact O-NZ 3.23Å; T20-K39 WeakPolarHBondContact OG1-CE 3.27Å; T20-K39 PolarHBondContact OG1-NZ 3.03Å; I22-K39 HydrophobicContact CD1-CD 4.1Å; I22-K39 HydrophobicContact CG1-CB 4.3Å; I22-K39 HydrophobicContact CG1-CD 3.5Å; K39-E41 WeakPolarHBondContact CE-OE1 3.49Å; K39-E41 HydrophobicContact CG-CG 4.4Å; K39-E41 PolarHBondContact O-N 2.82Å; K39-E166 WeakPolarHBondContact CE-OE2 3.43Å; K39-E166 IonicContact NZ-OE2 2.7Å; K39-E166 PolarHBondContact NZ-OE2 2.7Å; K39-L294 HydrophobicContact CB-CD1 4.24Å; K39-V295 PolarHBondContact N-O 2.77Å; K39-L296 HydrophobicContact CG-CD1 4.33Å; K39-L297 PolarHBondContact O-N 3.08Å
40L98.7Very high97.6Very high6 Ų636.3 Ų36.33%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-9386.8-169.8-58.2-177.7000111.7T20 P21 V23 V38 S42 F43 I267 L297T20-L40 WeakPolarHBondContact CB-O 3.06Å; P21-L40 HydrophobicContact CG-CB 4.2Å; P21-L40 HydrophobicContact CG-CD1 4.42Å; P21-L40 PolarHBondContact O-N 2.82Å; V23-L40 HydrophobicContact CB-CD1 4.48Å; V23-L40 HydrophobicContact CG2-CD1 3.74Å; V23-L40 HydrophobicContact CG2-CG 4.44Å; V38-L40 HydrophobicContact CB-CD2 4.11Å; V38-L40 HydrophobicContact CG2-CD2 3.7Å; V38-L40 HydrophobicContact CG2-CG 4.23Å; L40-S42 PolarHBondContact O-N 3.03Å; L40-F43 HydrophobicContact CB-CD2 3.8Å; L40-F43 HydrophobicContact CB-CE2 4.08Å; L40-F43 HydrophobicContact CD1-CD2 4.44Å; L40-F43 HydrophobicContact CD1-CE2 3.86Å; L40-F43 PolarHBondContact O-N 3.25Å; L40-I267 HydrophobicContact CD1-CD1 4.37Å; L40-I267 HydrophobicContact CD1-CG2 4.17Å; L40-I267 HydrophobicContact CD2-CD1 4.48Å; L40-I267 HydrophobicContact CD2-CG2 3.68Å; L40-L297 HydrophobicContact CD2-CB 4.28Å; L40-L297 HydrophobicContact CD2-CD1 3.81Å; L40-L297 HydrophobicContact CD2-CG 4.33Å
41E98.8Very high97.8Very high0 Ų032.3 Ų32.30%016%0.162CC..G310 helixtrans-74.1-4.8-178.8-68.5-67.5120.800113.8T20 K39 F43 N44 S48 V49 R52 L296 L297T20-E41 PolarHBondContact OG1-OE1 3.23Å; K39-E41 WeakPolarHBondContact CE-OE1 3.49Å; K39-E41 HydrophobicContact CG-CG 4.4Å; K39-E41 PolarHBondContact O-N 2.82Å; E41-F43 PolarHBondContact O-N 3.41Å; E41-N44 PolarHBondContact O-N 3.45Å; E41-N44 PolarHBondContact O-ND2 2.54Å; E41-N44 PolarHBondContact OE2-ND2 2.93Å; E41-S48 CarbonylContact O-C 3.6Å; E41-S48 WeakPolarHBondContact O-CA 3.32Å; E41-S48 PolarHBondContact O-N 3.23Å; E41-V49 HydrophobicContact CB-CB 3.67Å; E41-V49 HydrophobicContact CB-CG2 4.33Å; E41-V49 HydrophobicContact CG-CB 3.81Å; E41-V49 HydrophobicContact CG-CG2 3.91Å; E41-R52 IonicContact OE1-CZ 3.95Å; E41-R52 IonicContact OE1-NE 2.8Å; E41-R52 IonicContact OE1-NH2 3.65Å; E41-R52 PolarHBondContact OE1-NH2 3.33Å; E41-R52 IonicContact OE2-CZ 3.39Å; E41-R52 IonicContact OE2-NE 2.95Å; E41-R52 PolarHBondContact OE2-NE 3.48Å; E41-R52 IonicContact OE2-NH2 2.72Å; E41-R52 PolarHBondContact OE2-NH2 2.89Å; E41-L296 HydrophobicContact CG-CD1 4.08Å; E41-L296 HydrophobicContact CG-CD2 4.13Å; E41-L296 HydrophobicContact CG-CG 4.02Å; E41-L297 WeakPolarHBondContact CB-O 3.25Å; E41-L297 PolarHBondContact N-O 3.15Å
42S98.1Very high98Very high25 Ų2525.1 Ų25.118%0.17512%0.123CC..G310 helixtrans-63.4-16.3168.554.10000114.1L40 N44 G47L40-S42 PolarHBondContact O-N 3.03Å; S42-N44 VanDerWaalsContact C-N 3.3Å; S42-G47 WeakPolarHBondContact O-CA 3.41Å
43F98.1Very high98.2Very high134 Ų13416.8 Ų16.859%0.5888%0.084SC*.G310 helixtrans-80.8-6.2178.3-81.8-106.6000114.1T20 P21 L40 E41T20-F43 HydrophobicContact CG2-CB 4.11Å; P21-F43 VanDerWaalsContact CD-CG 3.46Å; P21-F43 HydrophobicContact CG-CB 4.41Å; P21-F43 HydrophobicContact CG-CD1 3.93Å; P21-F43 HydrophobicContact CG-CD2 3.67Å; P21-F43 HydrophobicContact CG-CE1 4.07Å; P21-F43 HydrophobicContact CG-CE2 3.82Å; P21-F43 HydrophobicContact CG-CG 3.73Å; P21-F43 HydrophobicContact CG-CZ 4.02Å; L40-F43 HydrophobicContact CB-CD2 3.8Å; L40-F43 HydrophobicContact CB-CE2 4.08Å; L40-F43 HydrophobicContact CD1-CD2 4.44Å; L40-F43 HydrophobicContact CD1-CE2 3.86Å; L40-F43 PolarHBondContact O-N 3.25Å; E41-F43 PolarHBondContact O-N 3.41Å
44N98.5Very high98.3Very high5 Ų516.4 Ų16.43%0.0278%0.082CC..SBendtrans-64.7152.5166.8-68.2-71.4000109.9G18 E41 S42 G46 G47 S48 D51G18-N44 PolarHBondContact N-OD1 3.3Å; E41-N44 PolarHBondContact O-N 3.45Å; E41-N44 PolarHBondContact O-ND2 2.54Å; E41-N44 PolarHBondContact OE2-ND2 2.93Å; S42-N44 VanDerWaalsContact C-N 3.3Å; N44-G46 PolarHBondContact O-N 2.83Å; N44-G47 WeakPolarHBondContact O-CA 3.47Å; N44-G47 PolarHBondContact O-N 2.87Å; N44-S48 WeakPolarHBondContact CB-O 3.13Å; N44-S48 PolarHBondContact ND2-O 3.04Å; N44-S48 VanDerWaalsContact ND2-O 3.14Å; N44-D51 HydrophobicContact CB-CB 3.99Å; N44-D51 WeakPolarHBondContact CB-OD2 3.46Å
45P97.4Very high98.3Very high40 Ų4017.4 Ų17.426%0.269%0.088SC..THydrogen-bonded Turntrans-64.6-33.7-171.524.5-36.7000115I13 T16 I17 M87I13-P45 HydrophobicContact CD1-CB 3.63Å; I13-P45 HydrophobicContact CD1-CG 4.41Å; I13-P45 HydrophobicContact CG1-CB 3.65Å; I13-P45 HydrophobicContact CG1-CG 4.12Å; T16-P45 WeakPolarHBondContact OG1-CG 3.41Å; I17-P45 HydrophobicContact CG1-CG 3.68Å; P45-M87 HydrophobicContact CB-SD 4.01Å; P45-M87 HydrophobicContact CG-CE 4.07Å; P45-M87 HydrophobicContact CG-SD 3.86Å
46G96.1Very high98.3Very high3 Ų316.5 Ų16.53%0.0318%0.082CC..THydrogen-bonded Turntrans-81.6-1.4170.700000112.4N44 D51 M87 R303N44-G46 PolarHBondContact O-N 2.83Å; G46-D51 WeakPolarHBondContact CA-OD2 3.44Å; G46-D51 PolarHBondContact N-OD2 3.41Å; G46-M87 PolarHBondContact N-SD 3.17Å; G46-M87 VanDerWaalsContact N-SD 3.38Å; G46-R303 PolarHBondContact O-NH2 3.43Å
47G96.4Very high98.3Very high9 Ų916.5 Ų16.59%0.0938%0.082CC..SBendtrans80.825.2168.800000114.9S42 N44 D51 R303S42-G47 WeakPolarHBondContact O-CA 3.41Å; N44-G47 WeakPolarHBondContact O-CA 3.47Å; N44-G47 PolarHBondContact O-N 2.87Å; G47-D51 PolarHBondContact N-OD2 3.1Å; G47-R303 PolarHBondContact O-NH2 2.97Å
48S97.9Very high98.3Very high0 Ų014.6 Ų14.60%08%0.075CC..BIsolated β-bridgetrans-157.9167.7177.580.50000115.2E41 N44 K50 D51 N80 P298E41-S48 CarbonylContact O-C 3.6Å; E41-S48 WeakPolarHBondContact O-CA 3.32Å; E41-S48 PolarHBondContact O-N 3.23Å; N44-S48 WeakPolarHBondContact CB-O 3.13Å; N44-S48 PolarHBondContact ND2-O 3.04Å; N44-S48 VanDerWaalsContact ND2-O 3.14Å; S48-K50 PolarHBondContact O-N 3.42Å; S48-K50 VanDerWaalsContact O-N 3.16Å; S48-K50 PolarHBondContact OG-N 2.82Å; S48-K50 VanDerWaalsContact OG-N 3.11Å; S48-D51 VanDerWaalsContact O-CG 3.22Å; S48-D51 PolarHBondContact O-N 3.21Å; S48-D51 PolarHBondContact OG-OD1 3.09Å; S48-N80 WeakPolarHBondContact OG-CB 3.28Å; S48-P298 CarbonylContact C-O 3.52Å; S48-P298 WeakPolarHBondContact CA-O 3.34Å; S48-P298 WeakPolarHBondContact CB-O 3.29Å
49V98.6Very high98.3Very high1 Ų118.3 Ų18.31%0.0069%0.092CC..THydrogen-bonded Turntrans-60-21.7170.969.30000113.4E41 D51 R52 H159 L296 P298E41-V49 HydrophobicContact CB-CB 3.67Å; E41-V49 HydrophobicContact CB-CG2 4.33Å; E41-V49 HydrophobicContact CG-CB 3.81Å; E41-V49 HydrophobicContact CG-CG2 3.91Å; V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 2.98Å; V49-R52 PolarHBondContact O-N 3.35Å; V49-H159 VanDerWaalsContact CG2-CE1 3.4Å; V49-H159 WeakPolarHBondContact CG2-CE1 3.25Å; V49-L296 HydrophobicContact CB-CD2 4.49Å; V49-L296 HydrophobicContact CG2-CD2 4.23Å; V49-P298 HydrophobicContact CB-CB 4.28Å; V49-P298 HydrophobicContact CG1-CB 3.58Å; V49-P298 PolarHBondContact N-O 3Å
50K98.4Very high98.3Very high25 Ų2519.9 Ų19.911%0.10910%0.101CC..Hα-helixtrans-78.3-15.1-174.6-66.1-65.1-172.2-79.20113.3S48 R52 I53 A54 N80 T81S48-K50 PolarHBondContact O-N 3.42Å; S48-K50 VanDerWaalsContact O-N 3.16Å; S48-K50 PolarHBondContact OG-N 2.82Å; S48-K50 VanDerWaalsContact OG-N 3.11Å; K50-R52 PolarHBondContact O-N 3.15Å; K50-I53 HydrophobicContact CB-CG1 4.4Å; K50-I53 HydrophobicContact CD-CD1 3.5Å; K50-I53 HydrophobicContact CD-CG1 3.87Å; K50-I53 VanDerWaalsContact O-CG1 3.31Å; K50-I53 WeakPolarHBondContact O-CG1 3.25Å; K50-I53 PolarHBondContact O-N 3.05Å; K50-A54 WeakPolarHBondContact O-CB 3.41Å; K50-A54 PolarHBondContact O-N 3.2Å; K50-N80 HydrophobicContact CB-CB 3.89Å; K50-N80 HydrophobicContact CG-CB 3.63Å; K50-T81 VanDerWaalsContact CD-OG1 3.29Å; K50-T81 WeakPolarHBondContact CD-OG1 3.24Å
51D98.7Very high98.3Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-57.8-40.1173-58.210.6000110.5I17 N44 G46 G47 S48 V49 I53 A54 L55 M87I17-D51 HydrophobicContact CD1-CB 4.12Å; I17-D51 HydrophobicContact CG1-CB 4.19Å; I17-D51 HydrophobicContact CG2-CB 4.18Å; N44-D51 HydrophobicContact CB-CB 3.99Å; N44-D51 WeakPolarHBondContact CB-OD2 3.46Å; G46-D51 WeakPolarHBondContact CA-OD2 3.44Å; G46-D51 PolarHBondContact N-OD2 3.41Å; G47-D51 PolarHBondContact N-OD2 3.1Å; S48-D51 VanDerWaalsContact O-CG 3.22Å; S48-D51 PolarHBondContact O-N 3.21Å; S48-D51 PolarHBondContact OG-OD1 3.09Å; V49-D51 VanDerWaalsContact C-N 3.29Å; V49-D51 PolarHBondContact O-N 2.98Å; D51-I53 PolarHBondContact O-N 3.07Å; D51-A54 PolarHBondContact O-N 3.47Å; D51-L55 PolarHBondContact O-N 2.94Å; D51-M87 HydrophobicContact CB-CE 4.02Å
52R98.7Very high98.3Very high5 Ų522.5 Ų22.52%0.01911%0.114CC..Hα-helixtrans-58.6-49.2176.9-60.9-178.1-178.3-985112.1I17 T20 E41 V49 K50 R56 V158 T162 T163 E166I17-R52 HydrophobicContact CG2-CB 4.35Å; I17-R52 HydrophobicContact CG2-CG 3.81Å; T20-R52 PolarHBondContact OG1-NH2 3.2Å; E41-R52 IonicContact OE1-CZ 3.95Å; E41-R52 IonicContact OE1-NE 2.8Å; E41-R52 IonicContact OE1-NH2 3.65Å; E41-R52 PolarHBondContact OE1-NH2 3.33Å; E41-R52 IonicContact OE2-CZ 3.39Å; E41-R52 IonicContact OE2-NE 2.95Å; E41-R52 PolarHBondContact OE2-NE 3.48Å; E41-R52 IonicContact OE2-NH2 2.72Å; E41-R52 PolarHBondContact OE2-NH2 2.89Å; V49-R52 PolarHBondContact O-N 3.35Å; K50-R52 PolarHBondContact O-N 3.15Å; R52-R56 WeakPolarHBondContact O-CB 3.29Å; R52-R56 PolarHBondContact O-N 2.86Å; R52-V158 HydrophobicContact CB-CG1 4.26Å; R52-V158 HydrophobicContact CB-CG2 4.2Å; R52-T162 PolarHBondContact NH1-OG1 3.3Å; R52-T163 VanDerWaalsContact CD-OG1 3.25Å; R52-T163 WeakPolarHBondContact CD-OG1 3.48Å; R52-T163 PolarHBondContact NE-OG1 2.6Å; R52-E166 IonicContact CZ-OE1 3.03Å; R52-E166 IonicContact CZ-OE2 3.97Å; R52-E166 IonicContact NH1-OE1 3.15Å; R52-E166 PolarHBondContact NH1-OE1 3.31Å; R52-E166 IonicContact NH1-OE2 3.91Å; R52-E166 IonicContact NH2-OE1 3.14Å; R52-E166 PolarHBondContact NH2-OE1 3.38Å; R52-E166 IonicContact NH2-OE2 3.56Å; R52-E166 PolarHBondContact NH2-OE2 3.4Å
53I98.7Very high98.3Very high0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-74.9-34.8-176.677.3161.3000110.7K50 D51 R56 M57 T81 Q149 N155 V158 H159K50-I53 HydrophobicContact CB-CG1 4.4Å; K50-I53 HydrophobicContact CD-CD1 3.5Å; K50-I53 HydrophobicContact CD-CG1 3.87Å; K50-I53 VanDerWaalsContact O-CG1 3.31Å; K50-I53 WeakPolarHBondContact O-CG1 3.25Å; K50-I53 PolarHBondContact O-N 3.05Å; D51-I53 PolarHBondContact O-N 3.07Å; I53-R56 PolarHBondContact O-N 3.49Å; I53-M57 HydrophobicContact CB-CE 4.41Å; I53-M57 HydrophobicContact CD1-CE 4.01Å; I53-M57 HydrophobicContact CG1-CE 4.01Å; I53-M57 VanDerWaalsContact O-CB 3.32Å; I53-M57 WeakPolarHBondContact O-CB 3.26Å; I53-M57 WeakPolarHBondContact O-CE 3.22Å; I53-M57 WeakPolarHBondContact O-CG 3.48Å; I53-M57 PolarHBondContact O-N 2.84Å; I53-T81 HydrophobicContact CD1-CG2 4.2Å; I53-Q149 HydrophobicContact CD1-CB 4.07Å; I53-N155 HydrophobicContact CB-CB 4.48Å; I53-N155 WeakPolarHBondContact CD1-ND2 3.49Å; I53-N155 HydrophobicContact CG2-CB 4.4Å; I53-N155 VanDerWaalsContact CG2-OD1 3.23Å; I53-N155 WeakPolarHBondContact CG2-OD1 3.35Å; I53-V158 HydrophobicContact CB-CG1 4.48Å; I53-V158 HydrophobicContact CG2-CG1 3.86Å; I53-H159 WeakPolarHBondContact CG2-NE2 3.28Å
54A98.8Very high98.2Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-61.1-50.4176.700000110.1K50 D51 I58 L85 V88K50-A54 WeakPolarHBondContact O-CB 3.41Å; K50-A54 PolarHBondContact O-N 3.2Å; D51-A54 PolarHBondContact O-N 3.47Å; A54-I58 VanDerWaalsContact O-CG1 3.28Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.99Å; A54-L85 HydrophobicContact CB-CD2 3.94Å; A54-L85 HydrophobicContact CB-CG 4.06Å; A54-V88 HydrophobicContact CB-CG2 4.05Å
55L98.8Very high98.1Very high21 Ų2130.1 Ų30.111%0.1116%0.159CC..Hα-helixtrans-59.7-51176.5179.660.1000111.1L14 I17 D51 M57 I58 E59 V88L14-L55 HydrophobicContact CB-CD1 4.18Å; L14-L55 HydrophobicContact CB-CD2 4.24Å; L14-L55 HydrophobicContact CD1-CD1 3.84Å; L14-L55 HydrophobicContact CD2-CD1 4.39Å; L14-L55 HydrophobicContact CG-CD1 4.35Å; I17-L55 HydrophobicContact CD1-CB 3.98Å; I17-L55 HydrophobicContact CD1-CD2 3.99Å; D51-L55 PolarHBondContact O-N 2.94Å; L55-M57 PolarHBondContact O-N 3.13Å; L55-I58 PolarHBondContact O-N 3.33Å; L55-E59 HydrophobicContact CD1-CG 3.92Å; L55-E59 WeakPolarHBondContact CD1-OE1 3.37Å; L55-E59 HydrophobicContact CG-CG 4.3Å; L55-E59 WeakPolarHBondContact O-CG 3.47Å; L55-E59 PolarHBondContact O-N 3.09Å; L55-V88 HydrophobicContact CB-CG2 4.13Å; L55-V88 HydrophobicContact CD1-CG1 4.33Å
56R98.7Very high98.1Very high30 Ų3035 Ų3511%0.11318%0.176CC..Hα-helixtrans-63-44.8-174.8-177.261.7170.3-91.17.2113.2R52 I53 I58 E59 D60 A154 V158 E161R52-R56 WeakPolarHBondContact O-CB 3.29Å; R52-R56 PolarHBondContact O-N 2.86Å; I53-R56 PolarHBondContact O-N 3.49Å; R56-I58 PolarHBondContact O-N 3.01Å; R56-E59 PolarHBondContact O-N 3.45Å; R56-D60 IonicContact CZ-OD2 3.66Å; R56-D60 IonicContact NE-OD1 2.78Å; R56-D60 PolarHBondContact NE-OD1 3.49Å; R56-D60 VanDerWaalsContact NE-OD1 3.14Å; R56-D60 IonicContact NE-OD2 3.78Å; R56-D60 PolarHBondContact NE-OD2 3.46Å; R56-D60 WeakPolarHBondContact O-CB 3.31Å; R56-D60 PolarHBondContact O-N 3.23Å; R56-A154 HydrophobicContact CG-CB 3.96Å; R56-V158 HydrophobicContact CB-CB 3.78Å; R56-V158 HydrophobicContact CB-CG1 4.15Å; R56-V158 HydrophobicContact CB-CG2 4.01Å; R56-V158 HydrophobicContact CG-CB 3.86Å; R56-V158 HydrophobicContact CG-CG2 4.42Å; R56-E161 IonicContact CZ-OE2 2.67Å; R56-E161 IonicContact NH1-OE2 2.63Å; R56-E161 PolarHBondContact NH1-OE2 3.4Å; R56-E161 IonicContact NH2-OE1 3.45Å; R56-E161 IonicContact NH2-OE2 2.61Å; R56-E161 PolarHBondContact NH2-OE2 2.66Å
57M98.8Very high98.2Very high1 Ų135 Ų351%0.00518%0.176CC..Hα-helixtrans-61.4-36.4-179.9-71.7-174-60.900111.4I53 L55 A61 T81 P147 Q149 N152 A154I53-M57 HydrophobicContact CB-CE 4.41Å; I53-M57 HydrophobicContact CD1-CE 4.01Å; I53-M57 HydrophobicContact CG1-CE 4.01Å; I53-M57 VanDerWaalsContact O-CB 3.32Å; I53-M57 WeakPolarHBondContact O-CB 3.26Å; I53-M57 WeakPolarHBondContact O-CE 3.22Å; I53-M57 WeakPolarHBondContact O-CG 3.48Å; I53-M57 PolarHBondContact O-N 2.84Å; L55-M57 PolarHBondContact O-N 3.13Å; M57-A61 VanDerWaalsContact O-CB 3.29Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.36Å; M57-A61 VanDerWaalsContact O-N 3.15Å; M57-T81 HydrophobicContact CE-CG2 4.29Å; M57-P147 HydrophobicContact CB-CB 4.26Å; M57-P147 HydrophobicContact CE-CB 3.82Å; M57-P147 HydrophobicContact SD-CB 3.91Å; M57-Q149 HydrophobicContact CE-CB 4.19Å; M57-Q149 HydrophobicContact SD-CB 4.33Å; M57-N152 HydrophobicContact CG-CB 4.25Å; M57-N152 WeakPolarHBondContact CG-ND2 3.21Å; M57-N152 HydrophobicContact SD-CB 3.85Å; M57-A154 HydrophobicContact CG-CB 3.98Å
58I98.7Very high98.2Very high0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-70.8-49.4176.1-63.8-49.1000111.1A54 L55 R56 D60 A61 E62 L67 I73 L85 V88 K92 Y94 F145 P147A54-I58 VanDerWaalsContact O-CG1 3.28Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.99Å; L55-I58 PolarHBondContact O-N 3.33Å; R56-I58 PolarHBondContact O-N 3.01Å; I58-D60 PolarHBondContact O-N 3.02Å; I58-A61 WeakPolarHBondContact O-CB 3.35Å; I58-A61 PolarHBondContact O-N 3.18Å; I58-A61 VanDerWaalsContact O-N 3.08Å; I58-E62 HydrophobicContact CG2-CG 4.38Å; I58-E62 WeakPolarHBondContact O-CG 3.2Å; I58-E62 PolarHBondContact O-N 3.16Å; I58-L67 HydrophobicContact CD1-CD2 4.13Å; I58-L67 HydrophobicContact CG2-CD2 3.77Å; I58-I73 HydrophobicContact CD1-CD1 3.42Å; I58-I73 VanDerWaalsContact CD1-CD1 3.42Å; I58-I73 HydrophobicContact CD1-CG1 3.79Å; I58-I73 HydrophobicContact CD1-CG2 4.17Å; I58-I73 HydrophobicContact CG1-CD1 4.04Å; I58-L85 HydrophobicContact CD1-CD2 4.09Å; I58-L85 HydrophobicContact CG1-CD2 4.06Å; I58-V88 HydrophobicContact CB-CG1 4Å; I58-V88 HydrophobicContact CG1-CG1 3.88Å; I58-V88 HydrophobicContact CG2-CG1 4.1Å; I58-K92 HydrophobicContact CG2-CD 3.76Å; I58-Y94 HydrophobicContact CG2-CD2 4.37Å; I58-Y94 HydrophobicContact CG2-CE2 4.18Å; I58-F145 HydrophobicContact CD1-CD1 4.18Å; I58-F145 HydrophobicContact CD1-CE1 3.99Å; I58-P147 HydrophobicContact CD1-CG 4.35Å
59E98.5Very high98Very high78 Ų7846.2 Ų46.236%0.36423%0.234SC..Hα-helixtrans-62.3-40.4179.8-71.8-177.7155.500113L55 R56 A61 E62 K63 K92L55-E59 HydrophobicContact CD1-CG 3.92Å; L55-E59 WeakPolarHBondContact CD1-OE1 3.37Å; L55-E59 HydrophobicContact CG-CG 4.3Å; L55-E59 WeakPolarHBondContact O-CG 3.47Å; L55-E59 PolarHBondContact O-N 3.09Å; R56-E59 PolarHBondContact O-N 3.45Å; E59-A61 VanDerWaalsContact C-N 3.31Å; E59-A61 PolarHBondContact O-N 3.5Å; E59-E62 PolarHBondContact O-N 3.12Å; E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.47Å; E59-K63 PolarHBondContact O-N 3.45Å; E59-K92 IonicContact OE1-NZ 3.85Å
60D98.5Very high97.7Very high34 Ų3449.6 Ų49.618%0.18227%0.269CS..Hα-helixtrans-66.3-35174.8-79.3-11.9000111R56 I58 N64 A154R56-D60 IonicContact CZ-OD2 3.66Å; R56-D60 IonicContact NE-OD1 2.78Å; R56-D60 PolarHBondContact NE-OD1 3.49Å; R56-D60 VanDerWaalsContact NE-OD1 3.14Å; R56-D60 IonicContact NE-OD2 3.78Å; R56-D60 PolarHBondContact NE-OD2 3.46Å; R56-D60 WeakPolarHBondContact O-CB 3.31Å; R56-D60 PolarHBondContact O-N 3.23Å; I58-D60 PolarHBondContact O-N 3.02Å; D60-N64 WeakPolarHBondContact O-CB 3.49Å; D60-N64 VanDerWaalsContact O-CG 3.27Å; D60-N64 PolarHBondContact O-N 2.85Å; D60-N64 VanDerWaalsContact O-N 3.08Å; D60-N64 PolarHBondContact O-ND2 3.29Å; D60-A154 HydrophobicContact CB-CB 4.43Å; D60-A154 WeakPolarHBondContact OD2-CB 3.48Å
61A98.5Very high97.6Very high4 Ų450 Ų503%0.03327%0.271CS..Hα-helixtrans-69.8-41175.700000112.5M57 I58 E59 N64 G65 K66 L67 F145M57-A61 VanDerWaalsContact O-CB 3.29Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.36Å; M57-A61 VanDerWaalsContact O-N 3.15Å; I58-A61 WeakPolarHBondContact O-CB 3.35Å; I58-A61 PolarHBondContact O-N 3.18Å; I58-A61 VanDerWaalsContact O-N 3.08Å; E59-A61 VanDerWaalsContact C-N 3.31Å; E59-A61 PolarHBondContact O-N 3.5Å; A61-N64 PolarHBondContact O-N 3.36Å; A61-G65 PolarHBondContact O-N 2.87Å; A61-G65 VanDerWaalsContact O-N 3.13Å; A61-K66 HydrophobicContact CB-CB 4.24Å; A61-K66 PolarHBondContact O-N 2.86Å; A61-L67 HydrophobicContact CB-CB 3.74Å; A61-L67 PolarHBondContact O-N 3.41Å; A61-L67 VanDerWaalsContact O-N 3.09Å; A61-F145 HydrophobicContact CB-CD1 4.22Å; A61-F145 HydrophobicContact CB-CD2 4.37Å; A61-F145 HydrophobicContact CB-CE1 3.59Å; A61-F145 HydrophobicContact CB-CE2 3.78Å; A61-F145 HydrophobicContact CB-CZ 3.36Å
62E98.4Very high97.6Very high58 Ų5852.4 Ų52.427%0.27128%0.284SS..Hα-helixtrans-59.3-52172.5-69.8178.213000110.5I58 E59 N64 G65 L67 K92 Y94I58-E62 HydrophobicContact CG2-CG 4.38Å; I58-E62 WeakPolarHBondContact O-CG 3.2Å; I58-E62 PolarHBondContact O-N 3.16Å; E59-E62 PolarHBondContact O-N 3.12Å; E62-N64 VanDerWaalsContact C-N 3.27Å; E62-N64 PolarHBondContact O-N 3.29Å; E62-G65 PolarHBondContact O-N 3.47Å; E62-L67 HydrophobicContact CG-CD2 4.19Å; E62-K92 IonicContact OE1-NZ 3.94Å; E62-K92 IonicContact OE2-NZ 2.73Å; E62-K92 PolarHBondContact OE2-NZ 3.35Å; E62-Y94 HydrophobicContact CG-CE2 4.38Å; E62-Y94 WeakPolarHBondContact CG-OH 3.47Å; E62-Y94 WeakPolarHBondContact OE1-CE2 3.4Å; E62-Y94 PolarHBondContact OE1-OH 3.18Å
63K98.2Very high97.6Very high174 Ų17452.2 Ų52.276%0.75728%0.283SS*.Hα-helixtrans-59-37.2-178.8-178.6179.1178.2179.60112.8E59 G65E59-K63 VanDerWaalsContact O-CB 3.25Å; E59-K63 WeakPolarHBondContact O-CB 3.47Å; E59-K63 PolarHBondContact O-N 3.45Å; K63-G65 VanDerWaalsContact C-N 3.34Å
64N97.5Very high97.5Very high112 Ų11252.2 Ų52.260%0.59928%0.283SS*.THydrogen-bonded Turntrans-90.94.8-179.6-64.5-48000113.2D60 A61 E62 K66D60-N64 WeakPolarHBondContact O-CB 3.49Å; D60-N64 VanDerWaalsContact O-CG 3.27Å; D60-N64 PolarHBondContact O-N 2.85Å; D60-N64 VanDerWaalsContact O-N 3.08Å; D60-N64 PolarHBondContact O-ND2 3.29Å; A61-N64 PolarHBondContact O-N 3.36Å; E62-N64 VanDerWaalsContact C-N 3.27Å; E62-N64 PolarHBondContact O-N 3.29Å; N64-K66 HydrophobicContact CB-CG 4.48Å; N64-K66 PolarHBondContact O-N 3.12Å
65G96.5Very high97.5Very high38 Ų3852.4 Ų52.439%0.39228%0.284SS..THydrogen-bonded Turntrans69.112.4179.400000115.2A61 E62 K63 K68A61-G65 PolarHBondContact O-N 2.87Å; A61-G65 VanDerWaalsContact O-N 3.13Å; E62-G65 PolarHBondContact O-N 3.47Å; K63-G65 VanDerWaalsContact C-N 3.34Å; G65-K68 VanDerWaalsContact O-CE 3.27Å; G65-K68 WeakPolarHBondContact O-CE 3.38Å
66K97.3Very high97.4Very high141 Ų14152.1 Ų52.161%0.61328%0.283SS*.SBendtrans-76.8-28.6175.1-68.1-173.5178.1-176.50112.3A61 N64 M71 F145A61-K66 HydrophobicContact CB-CB 4.24Å; A61-K66 PolarHBondContact O-N 2.86Å; N64-K66 HydrophobicContact CB-CG 4.48Å; N64-K66 PolarHBondContact O-N 3.12Å; K66-M71 WeakPolarHBondContact O-CE 3.35Å; K66-F145 HydrophobicContact CB-CD2 4.36Å; K66-F145 HydrophobicContact CB-CE2 4.26Å
67L98.2Very high97.2Very high4 Ų451.1 Ų51.12%0.02128%0.281CS..SBendtrans-117.1128.1170.7-177.169.5000108.6I58 A61 E62 M71 I73 Y94 F145I58-L67 HydrophobicContact CD1-CD2 4.13Å; I58-L67 HydrophobicContact CG2-CD2 3.77Å; A61-L67 HydrophobicContact CB-CB 3.74Å; A61-L67 PolarHBondContact O-N 3.41Å; A61-L67 VanDerWaalsContact O-N 3.09Å; E62-L67 HydrophobicContact CG-CD2 4.19Å; L67-M71 HydrophobicContact CD1-CB 3.74Å; L67-I73 HydrophobicContact CD1-CG1 4.21Å; L67-I73 HydrophobicContact CD2-CD1 4.31Å; L67-I73 HydrophobicContact CD2-CG1 4.21Å; L67-Y94 HydrophobicContact CD1-CD1 4.17Å; L67-Y94 HydrophobicContact CD1-CE1 4.14Å; L67-Y94 HydrophobicContact CD2-CD1 4.17Å; L67-Y94 HydrophobicContact CD2-CD2 4.01Å; L67-Y94 HydrophobicContact CD2-CE1 3.91Å; L67-Y94 HydrophobicContact CD2-CE2 3.74Å; L67-Y94 HydrophobicContact CD2-CG 4.23Å; L67-Y94 HydrophobicContact CG-CD1 4.24Å; L67-Y94 HydrophobicContact CG-CE1 3.79Å; L67-Y94 HydrophobicContact CG-CE2 4.47Å; L67-F145 HydrophobicContact CB-CD1 4.38Å; L67-F145 HydrophobicContact CB-CG 4.33Å; L67-F145 HydrophobicContact CD1-CB 3.71Å; L67-F145 HydrophobicContact CD1-CD1 4.29Å; L67-F145 HydrophobicContact CD1-CG 4.23Å; L67-F145 HydrophobicContact CD2-CD1 4.48Å
68K96.3Very high96.6Very high125 Ų12552 Ų5254%0.54329%0.286SS..  trans-124.1155.5-177.6-58.8169.7-171.2164.20109.6G65 G70 M71 Y94G65-K68 VanDerWaalsContact O-CE 3.27Å; G65-K68 WeakPolarHBondContact O-CE 3.38Å; K68-G70 PolarHBondContact O-N 3.41Å; K68-M71 HydrophobicContact CB-CG 4.15Å; K68-M71 HydrophobicContact CB-SD 3.7Å; K68-M71 HydrophobicContact CD-SD 4.24Å; K68-M71 HydrophobicContact CG-SD 3.94Å; K68-M71 PolarHBondContact N-SD 3.12Å; K68-M71 VanDerWaalsContact O-CB 3.28Å; K68-M71 WeakPolarHBondContact O-CB 3.37Å; K68-M71 WeakPolarHBondContact O-CG 3.32Å; K68-M71 PolarHBondContact O-N 2.87Å; K68-Y94 WeakPolarHBondContact O-CE1 3.48Å
69P94.1Very high96.3Very high120 Ų12052.9 Ų52.978%0.77930%0.296SS*.THydrogen-bonded Turntrans-49.8132.6174.5-28.235.7000112.2M71P69-M71 VanDerWaalsContact C-N 3.33Å; P69-M71 PolarHBondContact O-N 2.92Å
70G91Very high96.1Very high72 Ų7250 Ų5074%0.74228%0.283SS*.THydrogen-bonded Turntrans87.1-13.5-178.100000115.4K68K68-G70 PolarHBondContact O-N 3.41Å
71M97Very high96.1Very high32 Ų3248.6 Ų48.616%0.15828%0.276CS..PPolyproline II helixtrans-70.1152.8172-68.6179.373.700111.6K66 L67 K68 P69 P95 D143K66-M71 WeakPolarHBondContact O-CE 3.35Å; L67-M71 HydrophobicContact CD1-CB 3.74Å; K68-M71 HydrophobicContact CB-CG 4.15Å; K68-M71 HydrophobicContact CB-SD 3.7Å; K68-M71 HydrophobicContact CD-SD 4.24Å; K68-M71 HydrophobicContact CG-SD 3.94Å; K68-M71 PolarHBondContact N-SD 3.12Å; K68-M71 VanDerWaalsContact O-CB 3.28Å; K68-M71 WeakPolarHBondContact O-CB 3.37Å; K68-M71 WeakPolarHBondContact O-CG 3.32Å; K68-M71 PolarHBondContact O-N 2.87Å; P69-M71 VanDerWaalsContact C-N 3.33Å; P69-M71 PolarHBondContact O-N 2.92Å; M71-P95 WeakPolarHBondContact O-CD 3.29Å; M71-D143 VanDerWaalsContact CE-O 3.27Å; M71-D143 WeakPolarHBondContact CE-O 3.42Å
72M97.4Very high96Very high52 Ų5248.4 Ų48.426%0.25627%0.274SS..PPolyproline II helixtrans-92.6142.9174.9173.9-179.1-74.300111.5I74 P95 T97 G144 F145M72-I74 HydrophobicContact CG-CD1 4.23Å; M72-I74 HydrophobicContact CG-CG1 3.67Å; M72-I74 HydrophobicContact SD-CD1 3.75Å; M72-I74 HydrophobicContact SD-CG1 3.68Å; M72-P95 WeakPolarHBondContact CA-O 3.38Å; M72-P95 HydrophobicContact CB-CG 4.15Å; M72-P95 HydrophobicContact CE-CB 4.45Å; M72-T97 WeakPolarHBondContact CE-OG1 3.49Å; M72-T97 PolarHBondContact SD-OG1 2.7Å; M72-G144 CarbonylContact O-C 3.58Å; M72-G144 WeakPolarHBondContact O-CA 3.28Å; M72-F145 PolarHBondContact O-N 3.49Å
73I98.7Very high95.9Very high0 Ų045.6 Ų45.60%026%0.261CS..EExtended strand (participates in β ladder)trans-92.4129.8166.5-60.6160.5000108.4I58 L67 L85 Y94 P95 V96 T97 F145 P147I58-I73 HydrophobicContact CD1-CD1 3.42Å; I58-I73 VanDerWaalsContact CD1-CD1 3.42Å; I58-I73 HydrophobicContact CD1-CG1 3.79Å; I58-I73 HydrophobicContact CD1-CG2 4.17Å; I58-I73 HydrophobicContact CG1-CD1 4.04Å; L67-I73 HydrophobicContact CD1-CG1 4.21Å; L67-I73 HydrophobicContact CD2-CD1 4.31Å; L67-I73 HydrophobicContact CD2-CG1 4.21Å; I73-L85 HydrophobicContact CG2-CD2 4.38Å; I73-Y94 HydrophobicContact CD1-CD2 4.14Å; I73-Y94 HydrophobicContact CD1-CG 4.02Å; I73-P95 PolarHBondContact N-O 2.8Å; I73-V96 HydrophobicContact CB-CG2 4.28Å; I73-V96 HydrophobicContact CD1-CG2 4.18Å; I73-V96 CarbonylContact O-C 3.57Å; I73-V96 WeakPolarHBondContact O-CA 3.48Å; I73-T97 PolarHBondContact O-N 3.46Å; I73-F145 CarbonylContact C-O 3.53Å; I73-F145 WeakPolarHBondContact CA-O 3.46Å; I73-P147 HydrophobicContact CG2-CG 3.71Å
74I98.5Very high95.9Very high1 Ų137.3 Ų37.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-127.8123.8178.9-50.9-176.6000109M72 T97 V99 A135 L138 A139 F145 V146 P147M72-I74 HydrophobicContact CG-CD1 4.23Å; M72-I74 HydrophobicContact CG-CG1 3.67Å; M72-I74 HydrophobicContact SD-CD1 3.75Å; M72-I74 HydrophobicContact SD-CG1 3.68Å; I74-T97 VanDerWaalsContact CA-O 3.31Å; I74-T97 WeakPolarHBondContact CA-O 3.46Å; I74-V99 HydrophobicContact CG2-CG2 4.09Å; I74-A135 HydrophobicContact CG2-CB 4.03Å; I74-L138 HydrophobicContact CD1-CB 3.98Å; I74-A139 HydrophobicContact CD1-CB 4.25Å; I74-F145 PolarHBondContact N-O 3.16Å; I74-V146 WeakPolarHBondContact O-CA 3.29Å; I74-P147 VanDerWaalsContact O-CD 3.28Å; I74-P147 WeakPolarHBondContact O-CD 3.43Å
75E98.2Very high96Very high3 Ų332 Ų321%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-138.1131.4177.8179.974.8-173.700110.9T77 L85 T97 L98 V99 P147 A148 Q149E75-T77 HydrophobicContact CB-CG2 4.09Å; E75-T77 HydrophobicContact CG-CG2 3.48Å; E75-T77 VanDerWaalsContact CG-CG2 3.48Å; E75-T77 PolarHBondContact O-N 2.75Å; E75-T77 VanDerWaalsContact O-N 3.09Å; E75-L85 HydrophobicContact CB-CD1 3.56Å; E75-L85 HydrophobicContact CG-CD1 3.72Å; E75-T97 PolarHBondContact N-O 3.43Å; E75-T97 VanDerWaalsContact N-O 3.16Å; E75-L98 HydrophobicContact CB-CD2 4.26Å; E75-L98 WeakPolarHBondContact O-CA 3.41Å; E75-V99 PolarHBondContact O-N 3.15Å; E75-P147 WeakPolarHBondContact OE2-CD 3.35Å; E75-A148 PolarHBondContact OE2-N 2.7Å; E75-Q149 WeakPolarHBondContact OE1-CG 3.39Å; E75-Q149 PolarHBondContact OE1-N 3.38Å; E75-Q149 PolarHBondContact OE1-NE2 2.88Å
76P96.5Very high96Very high16 Ų1630.2 Ų30.210%0.10418%0.178CC..EExtended strand (participates in β ladder)trans-78.189.4171.431.7-32.5000110.1V99 A131 I132 A135P76-V99 CarbonylContact C-O 3.59Å; P76-V99 WeakPolarHBondContact CA-O 3.5Å; P76-A131 HydrophobicContact CB-CB 4.39Å; P76-I132 HydrophobicContact CB-CB 4.39Å; P76-I132 HydrophobicContact CB-CG1 3.81Å; P76-I132 HydrophobicContact CG-CB 4.41Å; P76-I132 HydrophobicContact CG-CG1 3.78Å; P76-A135 HydrophobicContact CB-CB 3.88Å; P76-A135 HydrophobicContact CG-CB 4.04Å
77T95Very high96.1Very high9 Ų923.8 Ų23.86%0.05515%0.15CC..  trans-156.4143.6-179.2-1750000112E75 G79 G82 L98 V99 M100E75-T77 HydrophobicContact CB-CG2 4.09Å; E75-T77 HydrophobicContact CG-CG2 3.48Å; E75-T77 VanDerWaalsContact CG-CG2 3.48Å; E75-T77 PolarHBondContact O-N 2.75Å; E75-T77 VanDerWaalsContact O-N 3.09Å; T77-G79 PolarHBondContact OG1-N 2.88Å; T77-G82 VanDerWaalsContact CG2-CA 3.43Å; T77-L98 HydrophobicContact CG2-CD2 3.97Å; T77-V99 PolarHBondContact N-O 3.05Å; T77-V99 VanDerWaalsContact N-O 3.1Å; T77-M100 WeakPolarHBondContact O-CE 3.39Å
78S85.2Confident96.1Very high18 Ų1823.6 Ų23.613%0.12615%0.149CC..SBendtrans-115.3217061.80000113M104 R108 M112S78-M104 VanDerWaalsContact CB-CG 3.47Å; S78-M104 WeakPolarHBondContact CB-SD 3.28Å; S78-M104 PolarHBondContact OG-SD 2.67Å; S78-R108 WeakPolarHBondContact O-CD 3.34Å; S78-M112 VanDerWaalsContact C-CE 3.49Å; S78-M112 WeakPolarHBondContact O-CE 3.27Å
79G92.3Very high96.2Very high20 Ų2017.6 Ų17.621%0.20612%0.123CC..SBendtrans-99.6-163.2-17300000113.9T77 T81 G82 I83 M112T77-G79 PolarHBondContact OG1-N 2.88Å; G79-T81 PolarHBondContact O-N 3.01Å; G79-T81 VanDerWaalsContact O-N 3.16Å; G79-G82 PolarHBondContact O-N 3.31Å; G79-I83 PolarHBondContact O-N 2.99Å; G79-M112 WeakPolarHBondContact O-CE 3.15Å
80N95.2Very high96.4Very high18 Ų1814.8 Ų14.810%0.09611%0.11CC..Hα-helixtrans-56.9-29.9-179.8-71.8-24.7000113.7S48 K50 G82 I83 G84 D299S48-N80 WeakPolarHBondContact OG-CB 3.28Å; K50-N80 HydrophobicContact CB-CB 3.89Å; K50-N80 HydrophobicContact CG-CB 3.63Å; N80-G82 VanDerWaalsContact C-N 3.32Å; N80-G82 PolarHBondContact O-N 2.94Å; N80-I83 PolarHBondContact O-N 2.79Å; N80-G84 PolarHBondContact O-N 3.19Å; N80-D299 WeakPolarHBondContact ND2-CB 3.27Å; N80-D299 PolarHBondContact ND2-OD2 2.9Å
81T97.2Very high96.7Very high3 Ų313.6 Ų13.62%0.0189%0.093CC..Hα-helixtrans-62.3-38.5174.2-46.50000112.1K50 I53 M57 G79 G84 L85 Q149K50-T81 VanDerWaalsContact CD-OG1 3.29Å; K50-T81 WeakPolarHBondContact CD-OG1 3.24Å; I53-T81 HydrophobicContact CD1-CG2 4.2Å; M57-T81 HydrophobicContact CE-CG2 4.29Å; G79-T81 PolarHBondContact O-N 3.01Å; G79-T81 VanDerWaalsContact O-N 3.16Å; T81-G84 PolarHBondContact O-N 3.16Å; T81-L85 HydrophobicContact CG2-CD1 4.03Å; T81-L85 HydrophobicContact CG2-CG 4.34Å; T81-L85 WeakPolarHBondContact O-CB 3.41Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.28Å; T81-L85 PolarHBondContact O-N 3.38Å; T81-Q149 HydrophobicContact CG2-CB 4.15Å; T81-Q149 PolarHBondContact OG1-OE1 2.6Å
82G97Very high96.8Very high0 Ų015 Ų150%010%0.099CC..Hα-helixtrans-65.5-41176.700000112.1T77 G79 N80 L85 A86 L98T77-G82 VanDerWaalsContact CG2-CA 3.43Å; G79-G82 PolarHBondContact O-N 3.31Å; N80-G82 VanDerWaalsContact C-N 3.32Å; N80-G82 PolarHBondContact O-N 2.94Å; G82-L85 PolarHBondContact O-N 3.12Å; G82-A86 VanDerWaalsContact O-CB 3.27Å; G82-A86 WeakPolarHBondContact O-CB 3.36Å; G82-A86 PolarHBondContact O-N 2.97Å; G82-L98 WeakPolarHBondContact O-CD1 3.42Å
83I96.4Very high96.8Very high0 Ų015.5 Ų15.50%012%0.116CC..Hα-helixtrans-63.4-47.6175.3-67.3142.6000110.6G79 N80 L85 A86 M87 L111 M112 Y115G79-I83 PolarHBondContact O-N 2.99Å; N80-I83 PolarHBondContact O-N 2.79Å; I83-L85 PolarHBondContact O-N 3.02Å; I83-A86 PolarHBondContact O-N 3.47Å; I83-M87 WeakPolarHBondContact O-CB 3.47Å; I83-M87 PolarHBondContact O-N 3.23Å; I83-L111 HydrophobicContact CD1-CD2 4.02Å; I83-L111 HydrophobicContact CG1-CD2 3.95Å; I83-L111 HydrophobicContact CG1-CG 4.3Å; I83-L111 HydrophobicContact CG2-CD2 4.22Å; I83-M112 HydrophobicContact CD1-CE 4.22Å; I83-M112 HydrophobicContact CG1-CE 3.91Å; I83-M112 HydrophobicContact CG1-CG 3.89Å; I83-Y115 HydrophobicContact CG2-CE2 4.06Å
84G98.2Very high96.7Very high0 Ų016.6 Ų16.60%012%0.121CC..Hα-helixtrans-59.6-45.4176.900000112.2N80 T81 M87 V88N80-G84 PolarHBondContact O-N 3.19Å; T81-G84 PolarHBondContact O-N 3.16Å; G84-M87 PolarHBondContact O-N 3.25Å; G84-V88 WeakPolarHBondContact O-CB 3.26Å; G84-V88 WeakPolarHBondContact O-CG2 3.42Å; G84-V88 PolarHBondContact O-N 3.35Å
85L98.7Very high96.7Very high0 Ų019.5 Ų19.50%014%0.14CC..Hα-helixtrans-65.6-41.6177.4-73.2172000112.1A54 I58 I73 E75 T81 G82 I83 V88 G89 V96 P147A54-L85 HydrophobicContact CB-CD2 3.94Å; A54-L85 HydrophobicContact CB-CG 4.06Å; I58-L85 HydrophobicContact CD1-CD2 4.09Å; I58-L85 HydrophobicContact CG1-CD2 4.06Å; I73-L85 HydrophobicContact CG2-CD2 4.38Å; E75-L85 HydrophobicContact CB-CD1 3.56Å; E75-L85 HydrophobicContact CG-CD1 3.72Å; T81-L85 HydrophobicContact CG2-CD1 4.03Å; T81-L85 HydrophobicContact CG2-CG 4.34Å; T81-L85 WeakPolarHBondContact O-CB 3.41Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.28Å; T81-L85 PolarHBondContact O-N 3.38Å; G82-L85 PolarHBondContact O-N 3.12Å; I83-L85 PolarHBondContact O-N 3.02Å; L85-V88 PolarHBondContact O-N 3.4Å; L85-G89 PolarHBondContact O-N 2.93Å; L85-V96 HydrophobicContact CB-CG1 4.41Å; L85-P147 HydrophobicContact CD1-CG 4.03Å; L85-P147 HydrophobicContact CD2-CB 4.5Å; L85-P147 HydrophobicContact CD2-CG 3.99Å
86A98.4Very high96.7Very high1 Ų119.8 Ų19.81%0.00814%0.142CC..Hα-helixtrans-60.6-45.717600000111.3G82 I83 G89 A90 Y115 A117G82-A86 VanDerWaalsContact O-CB 3.27Å; G82-A86 WeakPolarHBondContact O-CB 3.36Å; G82-A86 PolarHBondContact O-N 2.97Å; I83-A86 PolarHBondContact O-N 3.47Å; A86-G89 PolarHBondContact O-N 3.4Å; A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 2.84Å; A86-Y115 HydrophobicContact CB-CD2 4.41Å; A86-Y115 HydrophobicContact CB-CG 4.39Å; A86-A117 HydrophobicContact CB-CB 3.78Å
87M98.4Very high96.8Very high5 Ų519.2 Ų19.23%0.02514%0.138CC..Hα-helixtrans-61.6-46.7175.1178.8-171.164.200112L14 I17 P45 G46 D51 I83 G84 A90 A91 Y115L14-M87 HydrophobicContact CD2-CE 4.5Å; I17-M87 HydrophobicContact CD1-CE 3.84Å; I17-M87 HydrophobicContact CG1-CE 4.4Å; P45-M87 HydrophobicContact CB-SD 4.01Å; P45-M87 HydrophobicContact CG-CE 4.07Å; P45-M87 HydrophobicContact CG-SD 3.86Å; G46-M87 PolarHBondContact N-SD 3.17Å; G46-M87 VanDerWaalsContact N-SD 3.38Å; D51-M87 HydrophobicContact CB-CE 4.02Å; I83-M87 WeakPolarHBondContact O-CB 3.47Å; I83-M87 PolarHBondContact O-N 3.23Å; G84-M87 PolarHBondContact O-N 3.25Å; M87-A90 PolarHBondContact O-N 2.82Å; M87-A91 WeakPolarHBondContact O-CB 3.36Å; M87-A91 PolarHBondContact O-N 2.84Å; M87-Y115 HydrophobicContact CB-CD1 4.1Å; M87-Y115 HydrophobicContact CB-CD2 4.48Å; M87-Y115 HydrophobicContact CB-CE1 3.98Å; M87-Y115 HydrophobicContact CB-CE2 4.36Å; M87-Y115 HydrophobicContact CB-CG 4.36Å; M87-Y115 HydrophobicContact CG-CD1 4.45Å; M87-Y115 HydrophobicContact CG-CE1 4Å
88V98.6Very high97Very high0 Ų018.8 Ų18.80%014%0.135CC..Hα-helixtrans-64.8-43.9179.5170.80000111.3L14 A54 L55 I58 G84 L85 A91 K92L14-V88 HydrophobicContact CD2-CB 4.4Å; L14-V88 HydrophobicContact CD2-CG2 3.81Å; A54-V88 HydrophobicContact CB-CG2 4.05Å; L55-V88 HydrophobicContact CB-CG2 4.13Å; L55-V88 HydrophobicContact CD1-CG1 4.33Å; I58-V88 HydrophobicContact CB-CG1 4Å; I58-V88 HydrophobicContact CG1-CG1 3.88Å; I58-V88 HydrophobicContact CG2-CG1 4.1Å; G84-V88 WeakPolarHBondContact O-CB 3.26Å; G84-V88 WeakPolarHBondContact O-CG2 3.42Å; G84-V88 PolarHBondContact O-N 3.35Å; L85-V88 PolarHBondContact O-N 3.4Å; V88-A91 PolarHBondContact O-N 3.11Å; V88-K92 HydrophobicContact CG1-CD 3.99Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 PolarHBondContact O-N 3.23Å
89G98.3Very high97.6Very high0 Ų017.9 Ų17.90%013%0.129CC..Hα-helixtrans-61.8-44.8176.600000112L85 A86 A91 K92 G93 Y94L85-G89 PolarHBondContact O-N 2.93Å; A86-G89 PolarHBondContact O-N 3.4Å; G89-A91 PolarHBondContact O-N 2.98Å; G89-K92 PolarHBondContact O-N 3.44Å; G89-G93 CarbonylContact O-C 3.55Å; G89-G93 WeakPolarHBondContact O-CA 3.41Å; G89-G93 PolarHBondContact O-N 3.43Å; G89-Y94 CarbonylContact C-O 3.58Å; G89-Y94 PolarHBondContact O-N 2.98Å
90A98.1Very high97.7Very high60 Ų6017 Ų1750%0.49612%0.119SC..Hα-helixtrans-59.1-44.8174.600000112.4A86 M87 Y115A86-A90 WeakPolarHBondContact O-CB 3.41Å; A86-A90 PolarHBondContact O-N 2.84Å; M87-A90 PolarHBondContact O-N 2.82Å; A90-Y115 WeakPolarHBondContact CB-O 3.4Å
91A97.9Very high97.6Very high47 Ų4716.2 Ų16.239%0.38812%0.116SC..Hα-helixtrans-71.8-31.1-178.900000113.6I13 L14 M87 V88 G89I13-A91 HydrophobicContact CG2-CB 4.04Å; L14-A91 HydrophobicContact CD1-CB 3.8Å; L14-A91 HydrophobicContact CD2-CB 4Å; L14-A91 HydrophobicContact CG-CB 3.82Å; M87-A91 WeakPolarHBondContact O-CB 3.36Å; M87-A91 PolarHBondContact O-N 2.84Å; V88-A91 PolarHBondContact O-N 3.11Å; G89-A91 PolarHBondContact O-N 2.98Å
92K97.8Very high97.3Very high63 Ų6321.4 Ų21.427%0.27414%0.14SC..Hα-helixtrans-96.3-8.4179.4-73.9178.8172.8-89.20114.2L14 I58 E59 E62 V88 G89 Y94L14-K92 HydrophobicContact CD1-CD 4.22Å; L14-K92 HydrophobicContact CD1-CG 3.81Å; I58-K92 HydrophobicContact CG2-CD 3.76Å; E59-K92 IonicContact OE1-NZ 3.85Å; E62-K92 IonicContact OE1-NZ 3.94Å; E62-K92 IonicContact OE2-NZ 2.73Å; E62-K92 PolarHBondContact OE2-NZ 3.35Å; V88-K92 HydrophobicContact CG1-CD 3.99Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 PolarHBondContact O-N 3.23Å; G89-K92 PolarHBondContact O-N 3.44Å; K92-Y94 HydrophobicContact CB-CD2 3.69Å; K92-Y94 HydrophobicContact CB-CE2 3.76Å; K92-Y94 HydrophobicContact CD-CE2 4.29Å
93G97Very high96.7Very high61 Ų6126.1 Ų26.163%0.62917%0.168SC*.THydrogen-bonded Turntrans81.225.2-179.900000114.9G89G89-G93 CarbonylContact O-C 3.55Å; G89-G93 WeakPolarHBondContact O-CA 3.41Å; G89-G93 PolarHBondContact O-N 3.43Å
94Y98.3Very high96.1Very high23 Ų2328.3 Ų28.39%0.0918%0.179CC..  trans-96.4133173.2-64.9-69.6000111.2I58 E62 L67 K68 I73 G89 K92 V96I58-Y94 HydrophobicContact CG2-CD2 4.37Å; I58-Y94 HydrophobicContact CG2-CE2 4.18Å; E62-Y94 HydrophobicContact CG-CE2 4.38Å; E62-Y94 WeakPolarHBondContact CG-OH 3.47Å; E62-Y94 WeakPolarHBondContact OE1-CE2 3.4Å; E62-Y94 PolarHBondContact OE1-OH 3.18Å; L67-Y94 HydrophobicContact CD1-CD1 4.17Å; L67-Y94 HydrophobicContact CD1-CE1 4.14Å; L67-Y94 HydrophobicContact CD2-CD1 4.17Å; L67-Y94 HydrophobicContact CD2-CD2 4.01Å; L67-Y94 HydrophobicContact CD2-CE1 3.91Å; L67-Y94 HydrophobicContact CD2-CE2 3.74Å; L67-Y94 HydrophobicContact CD2-CG 4.23Å; L67-Y94 HydrophobicContact CG-CD1 4.24Å; L67-Y94 HydrophobicContact CG-CE1 3.79Å; L67-Y94 HydrophobicContact CG-CE2 4.47Å; K68-Y94 WeakPolarHBondContact O-CE1 3.48Å; I73-Y94 HydrophobicContact CD1-CD2 4.14Å; I73-Y94 HydrophobicContact CD1-CG 4.02Å; G89-Y94 CarbonylContact C-O 3.58Å; G89-Y94 PolarHBondContact O-N 2.98Å; K92-Y94 HydrophobicContact CB-CD2 3.69Å; K92-Y94 HydrophobicContact CB-CE2 3.76Å; K92-Y94 HydrophobicContact CD-CE2 4.29Å; Y94-V96 PolarHBondContact O-N 2.87Å
95P98Very high95.2Very high63 Ų6330.1 Ų30.141%0.40919%0.192SC..  trans-64.9132.9166.824.6-28000109.8M71 M72 I73M71-P95 WeakPolarHBondContact O-CD 3.29Å; M72-P95 WeakPolarHBondContact CA-O 3.38Å; M72-P95 HydrophobicContact CB-CG 4.15Å; M72-P95 HydrophobicContact CE-CB 4.45Å; I73-P95 PolarHBondContact N-O 2.8Å
96V98.6Very high94.4Very high8 Ų834.5 Ų34.55%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-115.5126.2179.3-1780000109I73 L85 Y94 L98 A117 N118I73-V96 HydrophobicContact CB-CG2 4.28Å; I73-V96 HydrophobicContact CD1-CG2 4.18Å; I73-V96 CarbonylContact O-C 3.57Å; I73-V96 WeakPolarHBondContact O-CA 3.48Å; L85-V96 HydrophobicContact CB-CG1 4.41Å; Y94-V96 PolarHBondContact O-N 2.87Å; V96-L98 HydrophobicContact CG1-CD2 3.8Å; V96-L98 HydrophobicContact CG1-CG 4.02Å; V96-A117 HydrophobicContact CB-CB 4.34Å; V96-A117 HydrophobicContact CG1-CB 4.37Å; V96-A117 CarbonylContact O-C 3.58Å; V96-A117 WeakPolarHBondContact O-CA 3.17Å; V96-N118 PolarHBondContact O-N 2.84Å
97T98.4Very high93.6Very high4 Ų438.9 Ų38.93%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-112.3122.6169.4-66.40000109.4M72 I73 I74 E75 V99 N118 V120M72-T97 WeakPolarHBondContact CE-OG1 3.49Å; M72-T97 PolarHBondContact SD-OG1 2.7Å; I73-T97 PolarHBondContact O-N 3.46Å; I74-T97 VanDerWaalsContact CA-O 3.31Å; I74-T97 WeakPolarHBondContact CA-O 3.46Å; E75-T97 PolarHBondContact N-O 3.43Å; E75-T97 VanDerWaalsContact N-O 3.16Å; T97-V99 HydrophobicContact CG2-CG2 4.39Å; T97-N118 CarbonylContact C-O 3.58Å; T97-N118 WeakPolarHBondContact CA-O 3.44Å; T97-N118 PolarHBondContact OG1-ND2 2.92Å; T97-V120 HydrophobicContact CG2-CB 4.47Å; T97-V120 HydrophobicContact CG2-CG2 3.69Å
98L98.3Very high92.8Very high0 Ų039.9 Ų39.90%024%0.238CC..EExtended strand (participates in β ladder)trans-107.8124.9176.4-57.6175.5000109.3E75 T77 G82 V96 M100 M112 A117 N118 L119 V120E75-L98 HydrophobicContact CB-CD2 4.26Å; E75-L98 WeakPolarHBondContact O-CA 3.41Å; T77-L98 HydrophobicContact CG2-CD2 3.97Å; G82-L98 WeakPolarHBondContact O-CD1 3.42Å; V96-L98 HydrophobicContact CG1-CD2 3.8Å; V96-L98 HydrophobicContact CG1-CG 4.02Å; L98-M100 HydrophobicContact CB-CE 3.9Å; L98-M112 HydrophobicContact CD1-CB 3.87Å; L98-M112 HydrophobicContact CD1-CE 4.3Å; L98-M112 HydrophobicContact CD1-CG 3.7Å; L98-M112 HydrophobicContact CD1-SD 3.38Å; L98-M112 WeakPolarHBondContact CD1-SD 3.49Å; L98-A117 HydrophobicContact CD1-CB 4.09Å; L98-A117 HydrophobicContact CG-CB 4.35Å; L98-N118 PolarHBondContact N-O 3.18Å; L98-L119 HydrophobicContact CB-CD2 3.9Å; L98-L119 HydrophobicContact CD1-CD2 4.27Å; L98-L119 WeakPolarHBondContact O-CA 3.45Å; L98-V120 PolarHBondContact O-N 2.89Å
99V97.9Very high92.3Very high0 Ų042.6 Ų42.60%025%0.248CC..EExtended strand (participates in β ladder)trans-102.2125.8-179.5-167.10000109I74 E75 P76 T77 T97 V120 T122 A131 E134 A135 L138I74-V99 HydrophobicContact CG2-CG2 4.09Å; E75-V99 PolarHBondContact O-N 3.15Å; P76-V99 CarbonylContact C-O 3.59Å; P76-V99 WeakPolarHBondContact CA-O 3.5Å; T77-V99 PolarHBondContact N-O 3.05Å; T77-V99 VanDerWaalsContact N-O 3.1Å; T97-V99 HydrophobicContact CG2-CG2 4.39Å; V99-V120 WeakPolarHBondContact CA-O 3.48Å; V99-V120 HydrophobicContact CG1-CB 4.28Å; V99-V120 HydrophobicContact CG1-CG1 4.21Å; V99-V120 HydrophobicContact CG2-CB 4.22Å; V99-T122 HydrophobicContact CG1-CG2 3.84Å; V99-A131 HydrophobicContact CG1-CB 4.06Å; V99-A131 WeakPolarHBondContact CG1-O 3.34Å; V99-E134 HydrophobicContact CG1-CB 3.97Å; V99-E134 HydrophobicContact CG1-CG 3.96Å; V99-A135 HydrophobicContact CB-CB 4.1Å; V99-A135 HydrophobicContact CG2-CB 3.77Å; V99-L138 HydrophobicContact CG2-CD1 4.09Å
100M95.6Very high92Very high0 Ų049.2 Ų49.20%028%0.277CS..EExtended strand (participates in β ladder)trans-152.4160.8-176.867.9-17272.500112.7T77 L98 M104 R109 M112 L119 V120 L121 T122T77-M100 WeakPolarHBondContact O-CE 3.39Å; L98-M100 HydrophobicContact CB-CE 3.9Å; M100-M104 HydrophobicContact CB-CG 4.24Å; M100-M104 HydrophobicContact CG-CG 4.38Å; M100-M104 HydrophobicContact SD-CB 4.09Å; M100-M104 HydrophobicContact SD-CG 4.39Å; M100-R109 HydrophobicContact SD-CG 3.81Å; M100-M112 HydrophobicContact CE-SD 3.62Å; M100-L119 HydrophobicContact CE-CD1 4.47Å; M100-L119 HydrophobicContact CE-CD2 3.74Å; M100-V120 PolarHBondContact N-O 3.32Å; M100-L121 HydrophobicContact CG-CD2 3.8Å; M100-L121 CarbonylContact O-C 3.45Å; M100-L121 VanDerWaalsContact O-CA 3.3Å; M100-L121 WeakPolarHBondContact O-CA 3.23Å; M100-L121 HydrophobicContact SD-CD2 4.46Å; M100-T122 PolarHBondContact O-N 2.91Å; M100-T122 PolarHBondContact O-OG1 3.29Å; M100-T122 VanDerWaalsContact O-OG1 3.09Å
101P92.8Very high91.6Very high3 Ų349.3 Ų49.32%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-64145.6171-24.635.2000111.8T103 M104 T122 M128P101-T103 PolarHBondContact O-N 2.96Å; P101-T103 VanDerWaalsContact O-N 3.13Å; P101-M104 HydrophobicContact CB-CE 4.31Å; P101-M104 HydrophobicContact CG-CE 4.28Å; P101-M104 WeakPolarHBondContact O-CB 3.47Å; P101-M104 VanDerWaalsContact O-CG 3.26Å; P101-M104 WeakPolarHBondContact O-CG 3.34Å; P101-M104 PolarHBondContact O-N 3.27Å; P101-T122 WeakPolarHBondContact CA-O 3.45Å; P101-M128 HydrophobicContact CG-CE 3.96Å
102E91Very high91.4Very high111 Ų11147 Ų4752%0.51925%0.25SS..THydrogen-bonded Turntrans-62-18.9176.270.4-169.115900114.1M104 L121 T122 G124E102-M104 PolarHBondContact O-N 3.17Å; E102-L121 HydrophobicContact CB-CB 4.27Å; E102-L121 HydrophobicContact CB-CD1 4.44Å; E102-T122 PolarHBondContact N-O 3.22Å; E102-G124 PolarHBondContact OE1-N 2.62Å
103T83.1Confident91.4Very high99 Ų9949 Ų4961%0.60726%0.26SS*.THydrogen-bonded Turntrans-72.3-7.3178.255.20000113.8P101P101-T103 PolarHBondContact O-N 2.96Å; P101-T103 VanDerWaalsContact O-N 3.13Å
104M83.5Confident91.3Very high47 Ų4750.1 Ų50.123%0.23226%0.264CS..SBendtrans-71.1147.8179.3-63.5-65.2125.400112.5S78 M100 P101 E102 R109S78-M104 VanDerWaalsContact CB-CG 3.47Å; S78-M104 WeakPolarHBondContact CB-SD 3.28Å; S78-M104 PolarHBondContact OG-SD 2.67Å; M100-M104 HydrophobicContact CB-CG 4.24Å; M100-M104 HydrophobicContact CG-CG 4.38Å; M100-M104 HydrophobicContact SD-CB 4.09Å; M100-M104 HydrophobicContact SD-CG 4.39Å; P101-M104 HydrophobicContact CB-CE 4.31Å; P101-M104 HydrophobicContact CG-CE 4.28Å; P101-M104 WeakPolarHBondContact O-CB 3.47Å; P101-M104 VanDerWaalsContact O-CG 3.26Å; P101-M104 WeakPolarHBondContact O-CG 3.34Å; P101-M104 PolarHBondContact O-N 3.27Å; E102-M104 PolarHBondContact O-N 3.17Å; M104-R109 PolarHBondContact O-NE 3.03Å; M104-R109 PolarHBondContact O-NH2 2.95Å
105S79.4Confident91.3Very high37 Ų3752.6 Ų52.626%0.25927%0.274SS..  trans-59.3145.2-172.2770000113E107 R108 R109S105-E107 VanDerWaalsContact C-N 3.25Å; S105-E107 WeakPolarHBondContact CB-OE2 3.33Å; S105-E107 PolarHBondContact O-N 3.47Å; S105-R108 PolarHBondContact O-N 3.03Å; S105-R108 WeakPolarHBondContact OG-CG 3.32Å; S105-R108 PolarHBondContact OG-N 2.8Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 2.91Å
106I82.9Confident91.3Very high93 Ų9352.6 Ų52.648%0.47729%0.285SS..Hα-helixtrans-64.8-35.1-179.2-68.6172.5000110.3R109 K110I106-R109 PolarHBondContact O-N 3.46Å; I106-K110 HydrophobicContact CG2-CD 3.83Å; I106-K110 HydrophobicContact CG2-CG 4.12Å; I106-K110 WeakPolarHBondContact O-CB 3.43Å; I106-K110 WeakPolarHBondContact O-CG 3.41Å; I106-K110 PolarHBondContact O-N 2.75Å
107E81.1Confident91.2Very high92 Ų9252.5 Ų52.543%0.4329%0.285SS..Hα-helixtrans-63.2-44.3-179.1-61.484.2167.800111.3S105 K110 L111 S306S105-E107 VanDerWaalsContact C-N 3.25Å; S105-E107 WeakPolarHBondContact CB-OE2 3.33Å; S105-E107 PolarHBondContact O-N 3.47Å; E107-K110 PolarHBondContact O-N 2.95Å; E107-L111 WeakPolarHBondContact O-CB 3.23Å; E107-L111 PolarHBondContact O-N 3.13Å; E107-S306 WeakPolarHBondContact OE1-CB 3.45Å; E107-S306 PolarHBondContact OE1-OG 2.65Å; E107-S306 PolarHBondContact OE2-OG 2.78Å
108R81.8Confident91.2Very high27 Ų2756.6 Ų56.610%0.10231%0.307CS..Hα-helixtrans-66.5-42.8176.4-75.5177.9171.5162.64.1111.7S78 S105 L111 M112 Y304S78-R108 WeakPolarHBondContact O-CD 3.34Å; S105-R108 PolarHBondContact O-N 3.03Å; S105-R108 WeakPolarHBondContact OG-CG 3.32Å; S105-R108 PolarHBondContact OG-N 2.8Å; R108-L111 PolarHBondContact O-N 2.84Å; R108-M112 WeakPolarHBondContact O-CG 3.47Å; R108-M112 PolarHBondContact O-N 2.96Å; R108-Y304 VanDerWaalsContact NH2-CE1 3.29Å
109R88.6Confident91.2Very high56 Ų5657.8 Ų57.821%0.21131%0.313CS..Hα-helixtrans-58.8-50.3175.9-71.7-170.3-77.9171.5-10111.3M100 M104 S105 I106 L111 M112 Q113 L119M100-R109 HydrophobicContact SD-CG 3.81Å; M104-R109 PolarHBondContact O-NE 3.03Å; M104-R109 PolarHBondContact O-NH2 2.95Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 2.91Å; I106-R109 PolarHBondContact O-N 3.46Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.88Å; R109-M112 PolarHBondContact O-N 3.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.35Å; R109-Q113 WeakPolarHBondContact O-CG 3.25Å; R109-Q113 PolarHBondContact O-N 2.82Å; R109-L119 HydrophobicContact CB-CD1 3.52Å; R109-L119 HydrophobicContact CG-CD1 3.7Å
110K91.5Very high91.1Very high140 Ų14059.4 Ų59.461%0.60932%0.323SS*.Hα-helixtrans-60.9-41.2178.1-76.1-178.6176.7-1800112.5I106 E107 Q113 A114I106-K110 HydrophobicContact CG2-CD 3.83Å; I106-K110 HydrophobicContact CG2-CG 4.12Å; I106-K110 WeakPolarHBondContact O-CB 3.43Å; I106-K110 WeakPolarHBondContact O-CG 3.41Å; I106-K110 PolarHBondContact O-N 2.75Å; E107-K110 PolarHBondContact O-N 2.95Å; K110-Q113 PolarHBondContact O-N 2.92Å; K110-A114 WeakPolarHBondContact O-CB 3.24Å; K110-A114 PolarHBondContact O-N 3.12Å
111L90.1Very high91.2Very high61 Ų6163 Ų6332%0.31934%0.342SS..Hα-helixtrans-63.4-44.1178.1-179.860.1000112I83 E107 R108 R109 A114 Y115I83-L111 HydrophobicContact CD1-CD2 4.02Å; I83-L111 HydrophobicContact CG1-CD2 3.95Å; I83-L111 HydrophobicContact CG1-CG 4.3Å; I83-L111 HydrophobicContact CG2-CD2 4.22Å; E107-L111 WeakPolarHBondContact O-CB 3.23Å; E107-L111 PolarHBondContact O-N 3.13Å; R108-L111 PolarHBondContact O-N 2.84Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.88Å; L111-A114 WeakPolarHBondContact O-CB 3.46Å; L111-A114 PolarHBondContact O-N 3.35Å; L111-Y115 HydrophobicContact CD1-CE2 4.12Å; L111-Y115 HydrophobicContact CG-CE2 4.49Å; L111-Y115 WeakPolarHBondContact O-CD2 3.46Å; L111-Y115 PolarHBondContact O-N 2.9Å
112M94.6Very high91.4Very high0 Ų063.3 Ų63.30%034%0.344CS..Hα-helixtrans-64.4-42.7176.4-67.7167.7-179.900111.5S78 G79 I83 L98 M100 R108 R109 A114 Y115 A117 L119S78-M112 VanDerWaalsContact C-CE 3.49Å; S78-M112 WeakPolarHBondContact O-CE 3.27Å; G79-M112 WeakPolarHBondContact O-CE 3.15Å; I83-M112 HydrophobicContact CD1-CE 4.22Å; I83-M112 HydrophobicContact CG1-CE 3.91Å; I83-M112 HydrophobicContact CG1-CG 3.89Å; L98-M112 HydrophobicContact CD1-CB 3.87Å; L98-M112 HydrophobicContact CD1-CE 4.3Å; L98-M112 HydrophobicContact CD1-CG 3.7Å; L98-M112 HydrophobicContact CD1-SD 3.38Å; L98-M112 WeakPolarHBondContact CD1-SD 3.49Å; M100-M112 HydrophobicContact CE-SD 3.62Å; R108-M112 WeakPolarHBondContact O-CG 3.47Å; R108-M112 PolarHBondContact O-N 2.96Å; R109-M112 PolarHBondContact O-N 3.35Å; M112-A114 VanDerWaalsContact C-N 3.3Å; M112-A114 PolarHBondContact O-N 3.18Å; M112-Y115 PolarHBondContact O-N 3.31Å; M112-A117 HydrophobicContact CB-CB 4.34Å; M112-A117 WeakPolarHBondContact O-CB 3.21Å; M112-A117 PolarHBondContact O-N 2.93Å; M112-L119 HydrophobicContact CB-CD2 4.11Å; M112-L119 HydrophobicContact SD-CD2 4.44Å
113Q96.1Very high91.5Very high103 Ų10361.5 Ų61.548%0.48134%0.342SS..Hα-helixtrans-65.4-30.6175.5-70.9176.9-58.300113R109 K110 Y115 G116 L119R109-Q113 WeakPolarHBondContact O-CB 3.35Å; R109-Q113 WeakPolarHBondContact O-CG 3.25Å; R109-Q113 PolarHBondContact O-N 2.82Å; K110-Q113 PolarHBondContact O-N 2.92Å; Q113-Y115 PolarHBondContact O-N 3.02Å; Q113-G116 WeakPolarHBondContact O-CA 3.5Å; Q113-G116 PolarHBondContact O-N 3.04Å; Q113-L119 HydrophobicContact CG-CD1 3.68Å; Q113-L119 HydrophobicContact CG-CG 3.75Å
114A96.4Very high91.6Very high85 Ų8557.8 Ų57.870%0.70232%0.322SS*.Hα-helixtrans-64.8-29175.400000112.3K110 L111 M112 G116K110-A114 WeakPolarHBondContact O-CB 3.24Å; K110-A114 PolarHBondContact O-N 3.12Å; L111-A114 WeakPolarHBondContact O-CB 3.46Å; L111-A114 PolarHBondContact O-N 3.35Å; M112-A114 VanDerWaalsContact C-N 3.3Å; M112-A114 PolarHBondContact O-N 3.18Å; A114-G116 PolarHBondContact O-N 3.41Å
115Y97.5Very high91.8Very high76 Ų7660.4 Ų60.430%0.29835%0.352SS..THydrogen-bonded Turntrans-81.44.9167.6-72.1-64.3000113.3I83 A86 M87 A90 L111 M112 Q113I83-Y115 HydrophobicContact CG2-CE2 4.06Å; A86-Y115 HydrophobicContact CB-CD2 4.41Å; A86-Y115 HydrophobicContact CB-CG 4.39Å; M87-Y115 HydrophobicContact CB-CD1 4.1Å; M87-Y115 HydrophobicContact CB-CD2 4.48Å; M87-Y115 HydrophobicContact CB-CE1 3.98Å; M87-Y115 HydrophobicContact CB-CE2 4.36Å; M87-Y115 HydrophobicContact CB-CG 4.36Å; M87-Y115 HydrophobicContact CG-CD1 4.45Å; M87-Y115 HydrophobicContact CG-CE1 4Å; A90-Y115 WeakPolarHBondContact CB-O 3.4Å; L111-Y115 HydrophobicContact CD1-CE2 4.12Å; L111-Y115 HydrophobicContact CG-CE2 4.49Å; L111-Y115 WeakPolarHBondContact O-CD2 3.46Å; L111-Y115 PolarHBondContact O-N 2.9Å; M112-Y115 PolarHBondContact O-N 3.31Å; Q113-Y115 PolarHBondContact O-N 3.02Å
116G97.5Very high92Very high63 Ų6362.8 Ų62.865%0.64936%0.362SS*.THydrogen-bonded Turntrans83.610.7178.800000115.1Q113 A114Q113-G116 WeakPolarHBondContact O-CA 3.5Å; Q113-G116 PolarHBondContact O-N 3.04Å; A114-G116 PolarHBondContact O-N 3.41Å
117A98.2Very high92.2Very high6 Ų659.6 Ų59.65%0.0535%0.351CS..  trans-69136175.800000111.5A86 V96 L98 M112A86-A117 HydrophobicContact CB-CB 3.78Å; V96-A117 HydrophobicContact CB-CB 4.34Å; V96-A117 HydrophobicContact CG1-CB 4.37Å; V96-A117 CarbonylContact O-C 3.58Å; V96-A117 WeakPolarHBondContact O-CA 3.17Å; L98-A117 HydrophobicContact CD1-CB 4.09Å; L98-A117 HydrophobicContact CG-CB 4.35Å; M112-A117 HydrophobicContact CB-CB 4.34Å; M112-A117 WeakPolarHBondContact O-CB 3.21Å; M112-A117 PolarHBondContact O-N 2.93Å
118N97.7Very high92.5Very high89 Ų8958.6 Ų58.648%0.47635%0.348SS..EExtended strand (participates in β ladder)trans-77.4138.4166.4179.250000109.5V96 T97 L98V96-N118 PolarHBondContact O-N 2.84Å; T97-N118 CarbonylContact C-O 3.58Å; T97-N118 WeakPolarHBondContact CA-O 3.44Å; T97-N118 PolarHBondContact OG1-ND2 2.92Å; L98-N118 PolarHBondContact N-O 3.18Å
119L97.3Very high92.8Very high25 Ų2565.9 Ų65.913%0.13138%0.38CS..EExtended strand (participates in β ladder)trans-113.1125.9178.7-55.9-171.7000110L98 M100 R109 M112 Q113L98-L119 HydrophobicContact CB-CD2 3.9Å; L98-L119 HydrophobicContact CD1-CD2 4.27Å; L98-L119 WeakPolarHBondContact O-CA 3.45Å; M100-L119 HydrophobicContact CE-CD1 4.47Å; M100-L119 HydrophobicContact CE-CD2 3.74Å; R109-L119 HydrophobicContact CB-CD1 3.52Å; R109-L119 HydrophobicContact CG-CD1 3.7Å; M112-L119 HydrophobicContact CB-CD2 4.11Å; M112-L119 HydrophobicContact SD-CD2 4.44Å; Q113-L119 HydrophobicContact CG-CD1 3.68Å; Q113-L119 HydrophobicContact CG-CG 3.75Å
120V97.4Very high93Very high34 Ų3464 Ų6421%0.20638%0.378CS..EExtended strand (participates in β ladder)trans-104.5115.9168.81760000107.7T97 L98 V99 M100 E134 L138T97-V120 HydrophobicContact CG2-CB 4.47Å; T97-V120 HydrophobicContact CG2-CG2 3.69Å; L98-V120 PolarHBondContact O-N 2.89Å; V99-V120 WeakPolarHBondContact CA-O 3.48Å; V99-V120 HydrophobicContact CG1-CB 4.28Å; V99-V120 HydrophobicContact CG1-CG1 4.21Å; V99-V120 HydrophobicContact CG2-CB 4.22Å; M100-V120 PolarHBondContact N-O 3.32Å; V120-E134 HydrophobicContact CG1-CG 3.99Å; V120-L138 HydrophobicContact CB-CD1 4.31Å; V120-L138 HydrophobicContact CG1-CD1 4.17Å; V120-L138 HydrophobicContact CG2-CD1 3.92Å
121L96.3Very high93.1Very high76 Ų7657.3 Ų57.340%0.39835%0.349SS..EExtended strand (participates in β ladder)trans-91.5132.5178.8-55.7-177.2000109.7M100 E102M100-L121 HydrophobicContact CG-CD2 3.8Å; M100-L121 CarbonylContact O-C 3.45Å; M100-L121 VanDerWaalsContact O-CA 3.3Å; M100-L121 WeakPolarHBondContact O-CA 3.23Å; M100-L121 HydrophobicContact SD-CD2 4.46Å; E102-L121 HydrophobicContact CB-CB 4.27Å; E102-L121 HydrophobicContact CB-CD1 4.44Å
122T96.5Very high93.3Very high10 Ų1057.8 Ų57.86%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-107.4156.5174.850.30000110.3V99 M100 P101 E102 G124 E134V99-T122 HydrophobicContact CG1-CG2 3.84Å; M100-T122 PolarHBondContact O-N 2.91Å; M100-T122 PolarHBondContact O-OG1 3.29Å; M100-T122 VanDerWaalsContact O-OG1 3.09Å; P101-T122 WeakPolarHBondContact CA-O 3.45Å; E102-T122 PolarHBondContact N-O 3.22Å; T122-G124 PolarHBondContact O-N 2.8Å; T122-E134 HydrophobicContact CG2-CB 3.82Å; T122-E134 HydrophobicContact CG2-CG 4.05Å
123P94Very high93.3Very high73 Ų7360.7 Ų60.747%0.47438%0.375SS..  trans-53.4133.5177.5-26.435.4000111.7A125 D126P123-A125 PolarHBondContact O-N 3.22Å; P123-A125 VanDerWaalsContact O-N 3.16Å; P123-D126 PolarHBondContact O-N 3.43Å; P123-D126 VanDerWaalsContact O-N 3.16Å
124G85.5Confident93.4Very high20 Ų2058.1 Ų58.121%0.20636%0.363CS..G310 helixtrans-56.4-34.7-177.700000114E102 T122 D126 G127E102-G124 PolarHBondContact OE1-N 2.62Å; T122-G124 PolarHBondContact O-N 2.8Å; G124-D126 VanDerWaalsContact C-N 3.28Å; G124-D126 PolarHBondContact O-N 2.99Å; G124-G127 PolarHBondContact O-N 3.41Å
125A87.1Confident93.4Very high102 Ų10254 Ų5484%0.84333%0.329SS*.G310 helixtrans-64.3-28.3-178.200000113.7P123 G127P123-A125 PolarHBondContact O-N 3.22Å; P123-A125 VanDerWaalsContact O-N 3.16Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.4Å
126D84.8Confident93.3Very high88 Ų8853.9 Ų53.947%0.47133%0.334SS..G310 helixtrans-81.7-12.7-179.5-58.5-26000112.1P123 G124 K129 G130P123-D126 PolarHBondContact O-N 3.43Å; P123-D126 VanDerWaalsContact O-N 3.16Å; G124-D126 VanDerWaalsContact C-N 3.28Å; G124-D126 PolarHBondContact O-N 2.99Å; D126-K129 PolarHBondContact O-N 3.1Å; D126-G130 PolarHBondContact O-N 3.14Å
127G86Confident93.3Very high25 Ų2556 Ų5626%0.25832%0.322SS..Hα-helixtrans53-149.6-18000000112.8G124 A125 K129 G130 A131G124-G127 PolarHBondContact O-N 3.41Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.4Å; G127-K129 VanDerWaalsContact C-N 3.25Å; G127-K129 PolarHBondContact O-N 2.96Å; G127-G130 PolarHBondContact O-N 2.76Å; G127-A131 PolarHBondContact O-N 3.13Å
128M88.4Confident93.3Very high72 Ų7256.7 Ų56.736%0.35533%0.325SS..Hα-helixtrans-68.5-24.7-179.9-163.888.4-51.900113.2P101 G130 A131 I132P101-M128 HydrophobicContact CG-CE 3.96Å; M128-G130 PolarHBondContact O-N 3.14Å; M128-A131 HydrophobicContact CE-CB 3.57Å; M128-A131 PolarHBondContact O-N 3.48Å; M128-I132 HydrophobicContact CG-CD1 4.19Å; M128-I132 HydrophobicContact CG-CG1 4.4Å; M128-I132 VanDerWaalsContact O-CG1 3.27Å; M128-I132 WeakPolarHBondContact O-CG1 3.49Å; M128-I132 PolarHBondContact O-N 3.46Å
129K88Confident93.2Very high179 Ų17953 Ų5378%0.77831%0.307SS*.Hα-helixtrans-62.6-43.6176.1-70.2-177179178.90111.3D126 G127 I132 A133D126-K129 PolarHBondContact O-N 3.1Å; G127-K129 VanDerWaalsContact C-N 3.25Å; G127-K129 PolarHBondContact O-N 2.96Å; K129-I132 PolarHBondContact O-N 3.48Å; K129-A133 PolarHBondContact O-N 3.16Å; K129-A133 VanDerWaalsContact O-N 3.1Å
130G91.6Very high93.2Very high16 Ų1659.7 Ų59.717%0.16534%0.337CS..Hα-helixtrans-61.3-44.4174.200000112.7D126 G127 M128 I132 A133 E134D126-G130 PolarHBondContact O-N 3.14Å; G127-G130 PolarHBondContact O-N 2.76Å; M128-G130 PolarHBondContact O-N 3.14Å; G130-I132 PolarHBondContact O-N 2.8Å; G130-A133 PolarHBondContact O-N 3.34Å; G130-E134 PolarHBondContact O-N 2.95Å
131A93.7Very high93.2Very high0 Ų062.9 Ų62.90%035%0.35CS..Hα-helixtrans-62.7-38.4177.100000113.6P76 V99 G127 M128 E134 A135P76-A131 HydrophobicContact CB-CB 4.39Å; V99-A131 HydrophobicContact CG1-CB 4.06Å; V99-A131 WeakPolarHBondContact CG1-O 3.34Å; G127-A131 PolarHBondContact O-N 3.13Å; M128-A131 HydrophobicContact CE-CB 3.57Å; M128-A131 PolarHBondContact O-N 3.48Å; A131-E134 PolarHBondContact O-N 3.39Å; A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 3.43Å
132I93.8Very high93.1Very high72 Ų7265 Ų6537%0.36936%0.356SS..Hα-helixtrans-63.8-46.2175-68.4162.3000110.2P76 M128 K129 G130 E134 A135 N136P76-I132 HydrophobicContact CB-CB 4.39Å; P76-I132 HydrophobicContact CB-CG1 3.81Å; P76-I132 HydrophobicContact CG-CB 4.41Å; P76-I132 HydrophobicContact CG-CG1 3.78Å; M128-I132 HydrophobicContact CG-CD1 4.19Å; M128-I132 HydrophobicContact CG-CG1 4.4Å; M128-I132 VanDerWaalsContact O-CG1 3.27Å; M128-I132 WeakPolarHBondContact O-CG1 3.49Å; M128-I132 PolarHBondContact O-N 3.46Å; K129-I132 PolarHBondContact O-N 3.48Å; G130-I132 PolarHBondContact O-N 2.8Å; I132-E134 VanDerWaalsContact C-N 3.34Å; I132-E134 PolarHBondContact O-N 3.23Å; I132-A135 PolarHBondContact O-N 3.41Å; I132-N136 PolarHBondContact O-N 3.37Å; I132-N136 PolarHBondContact O-ND2 3.04Å
133A95.4Very high93Very high61 Ų6170.2 Ų70.250%0.50438%0.384SS..Hα-helixtrans-60.4-44.5178.500000111.5K129 G130 N136 R137K129-A133 PolarHBondContact O-N 3.16Å; K129-A133 VanDerWaalsContact O-N 3.1Å; G130-A133 PolarHBondContact O-N 3.34Å; A133-N136 PolarHBondContact O-N 2.86Å; A133-R137 WeakPolarHBondContact O-CB 3.44Å; A133-R137 PolarHBondContact O-N 2.98Å
134E97.6Very high93.1Very high48 Ų4867.4 Ų67.422%0.22437%0.368CS..Hα-helixtrans-69.7-37.1178.718059.8-170.600112.6V99 V120 T122 G130 A131 I132 N136 R137 L138V99-E134 HydrophobicContact CG1-CB 3.97Å; V99-E134 HydrophobicContact CG1-CG 3.96Å; V120-E134 HydrophobicContact CG1-CG 3.99Å; T122-E134 HydrophobicContact CG2-CB 3.82Å; T122-E134 HydrophobicContact CG2-CG 4.05Å; G130-E134 PolarHBondContact O-N 2.95Å; A131-E134 PolarHBondContact O-N 3.39Å; I132-E134 VanDerWaalsContact C-N 3.34Å; I132-E134 PolarHBondContact O-N 3.23Å; E134-N136 VanDerWaalsContact C-N 3.35Å; E134-N136 PolarHBondContact O-N 3.37Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-CZ 2.8Å; E134-R137 IonicContact OE1-NE 3.44Å; E134-R137 PolarHBondContact OE1-NE 3.03Å; E134-R137 IonicContact OE1-NH2 2.73Å; E134-R137 PolarHBondContact OE1-NH2 2.96Å; E134-R137 IonicContact OE2-CZ 2.66Å; E134-R137 IonicContact OE2-NE 3.63Å; E134-R137 PolarHBondContact OE2-NE 2.94Å; E134-R137 IonicContact OE2-NH2 3.52Å; E134-L138 HydrophobicContact CG-CD1 4.05Å; E134-L138 HydrophobicContact CG-CG 4.47Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.38Å; E134-L138 PolarHBondContact O-N 2.89Å
135A97.1Very high93.7Very high0 Ų067.6 Ų67.60%036%0.363CS..Hα-helixtrans-61-43.6173.200000111.9I74 P76 V99 A131 I132 L138 A139I74-A135 HydrophobicContact CG2-CB 4.03Å; P76-A135 HydrophobicContact CB-CB 3.88Å; P76-A135 HydrophobicContact CG-CB 4.04Å; V99-A135 HydrophobicContact CB-CB 4.1Å; V99-A135 HydrophobicContact CG2-CB 3.77Å; A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 3.43Å; I132-A135 PolarHBondContact O-N 3.41Å; A135-L138 PolarHBondContact O-N 3.41Å; A135-A139 WeakPolarHBondContact O-CB 3.45Å; A135-A139 PolarHBondContact O-N 3.13Å
136N96.1Very high94.2Very high73 Ų7364.6 Ų64.639%0.3933%0.334SS..Hα-helixtrans-65.2-45.2176.7-69.8-18.4000111.5I132 A133 E134 L138 A139 E140I132-N136 PolarHBondContact O-N 3.37Å; I132-N136 PolarHBondContact O-ND2 3.04Å; A133-N136 PolarHBondContact O-N 2.86Å; E134-N136 VanDerWaalsContact C-N 3.35Å; E134-N136 PolarHBondContact O-N 3.37Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.07Å; N136-A139 PolarHBondContact O-N 3.44Å; N136-E140 WeakPolarHBondContact O-CG 3.41Å; N136-E140 PolarHBondContact O-N 3.35Å
137R97.7Very high94.8Very high107 Ų10760.4 Ų60.440%0.40431%0.312SS..Hα-helixtrans-57.9-45.2176.2-167.9-161.768.670.51.5111.7A133 E134 E140 E141A133-R137 WeakPolarHBondContact O-CB 3.44Å; A133-R137 PolarHBondContact O-N 2.98Å; E134-R137 PolarHBondContact O-N 3.4Å; E134-R137 IonicContact OE1-CZ 2.8Å; E134-R137 IonicContact OE1-NE 3.44Å; E134-R137 PolarHBondContact OE1-NE 3.03Å; E134-R137 IonicContact OE1-NH2 2.73Å; E134-R137 PolarHBondContact OE1-NH2 2.96Å; E134-R137 IonicContact OE2-CZ 2.66Å; E134-R137 IonicContact OE2-NE 3.63Å; E134-R137 PolarHBondContact OE2-NE 2.94Å; E134-R137 IonicContact OE2-NH2 3.52Å; R137-E140 PolarHBondContact O-N 2.82Å; R137-E141 IonicContact CZ-OE2 3.69Å; R137-E141 IonicContact NH1-OE2 3.7Å; R137-E141 PolarHBondContact NH1-OE2 2.99Å; R137-E141 IonicContact NH2-OE2 3.24Å; R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 3.33Å
138L97Very high95.4Very high21 Ų2160.8 Ų60.811%0.1131%0.313CS..Hα-helixtrans-67.1-37.9177.3-73.9169.6000112.3I74 V99 V120 E134 A135 N136 E141 K142I74-L138 HydrophobicContact CD1-CB 3.98Å; V99-L138 HydrophobicContact CG2-CD1 4.09Å; V120-L138 HydrophobicContact CB-CD1 4.31Å; V120-L138 HydrophobicContact CG1-CD1 4.17Å; V120-L138 HydrophobicContact CG2-CD1 3.92Å; E134-L138 HydrophobicContact CG-CD1 4.05Å; E134-L138 HydrophobicContact CG-CG 4.47Å; E134-L138 WeakPolarHBondContact O-CB 3.38Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.38Å; E134-L138 PolarHBondContact O-N 2.89Å; A135-L138 PolarHBondContact O-N 3.41Å; N136-L138 VanDerWaalsContact C-N 3.33Å; N136-L138 PolarHBondContact O-N 3.07Å; L138-E141 PolarHBondContact O-N 2.78Å; L138-K142 VanDerWaalsContact O-CB 3.31Å; L138-K142 WeakPolarHBondContact O-CB 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.4Å
139A96.7Very high95.8Very high12 Ų1257.8 Ų57.810%0.09930%0.298CS..Hα-helixtrans-63.7-41.9176.200000111.8I74 A135 N136 D143 G144 V146I74-A139 HydrophobicContact CD1-CB 4.25Å; A135-A139 WeakPolarHBondContact O-CB 3.45Å; A135-A139 PolarHBondContact O-N 3.13Å; N136-A139 PolarHBondContact O-N 3.44Å; A139-D143 CarbonylContact O-C 3.58Å; A139-D143 VanDerWaalsContact O-CA 3.29Å; A139-D143 WeakPolarHBondContact O-CA 3.18Å; A139-D143 PolarHBondContact O-N 3.16Å; A139-G144 PolarHBondContact O-N 3.16Å; A139-V146 HydrophobicContact CB-CG2 3.48Å; A139-V146 VanDerWaalsContact CB-CG2 3.48Å
140E96.2Very high96.2Very high164 Ų16451.9 Ų51.977%0.76627%0.272SS*.Hα-helixtrans-65.2-43.8173.5-70.5174.9-171.600112N136 R137N136-E140 WeakPolarHBondContact O-CG 3.41Å; N136-E140 PolarHBondContact O-N 3.35Å; R137-E140 PolarHBondContact O-N 2.82Å
141E96.7Very high96.5Very high102 Ų10255.7 Ų55.748%0.47729%0.289SS..Hα-helixtrans-67.5-38-178.9-168.8-161.8137.700112.8R137 L138R137-E141 IonicContact CZ-OE2 3.69Å; R137-E141 IonicContact NH1-OE2 3.7Å; R137-E141 PolarHBondContact NH1-OE2 2.99Å; R137-E141 IonicContact NH2-OE2 3.24Å; R137-E141 WeakPolarHBondContact O-CB 3.37Å; R137-E141 PolarHBondContact O-N 3.33Å; L138-E141 PolarHBondContact O-N 2.78Å
142K94.6Very high96.7Very high119 Ų11957.1 Ų57.152%0.51730%0.297SS..Hα-helixtrans-105.53.6-171.4-58.6-53.8-166.8-156.50114.3L138 G144L138-K142 VanDerWaalsContact O-CB 3.31Å; L138-K142 WeakPolarHBondContact O-CB 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.39Å; L138-K142 PolarHBondContact O-N 3.4Å; K142-G144 PolarHBondContact O-N 3.16Å
143D93.9Very high96.9Very high121 Ų12158.2 Ų58.265%0.64731%0.308SS*.THydrogen-bonded Turntrans50.845.9-169.5-165.233000111.3M71 A139M71-D143 VanDerWaalsContact CE-O 3.27Å; M71-D143 WeakPolarHBondContact CE-O 3.42Å; A139-D143 CarbonylContact O-C 3.58Å; A139-D143 VanDerWaalsContact O-CA 3.29Å; A139-D143 WeakPolarHBondContact O-CA 3.18Å; A139-D143 PolarHBondContact O-N 3.16Å
144G96.7Very high97.1Very high14 Ų1455.4 Ų55.414%0.14429%0.285CS..  trans-84.9146.5-176.600000112.5M72 A139 K142M72-G144 CarbonylContact O-C 3.58Å; M72-G144 WeakPolarHBondContact O-CA 3.28Å; A139-G144 PolarHBondContact O-N 3.16Å; K142-G144 PolarHBondContact O-N 3.16Å
145F98.2Very high97.1Very high23 Ų2353.1 Ų53.110%0.10127%0.274CS..BIsolated β-bridgetrans-84.9127.1172.7174.8-112.4000111I58 A61 K66 L67 M72 I73 I74 P147I58-F145 HydrophobicContact CD1-CD1 4.18Å; I58-F145 HydrophobicContact CD1-CE1 3.99Å; A61-F145 HydrophobicContact CB-CD1 4.22Å; A61-F145 HydrophobicContact CB-CD2 4.37Å; A61-F145 HydrophobicContact CB-CE1 3.59Å; A61-F145 HydrophobicContact CB-CE2 3.78Å; A61-F145 HydrophobicContact CB-CZ 3.36Å; K66-F145 HydrophobicContact CB-CD2 4.36Å; K66-F145 HydrophobicContact CB-CE2 4.26Å; L67-F145 HydrophobicContact CB-CD1 4.38Å; L67-F145 HydrophobicContact CB-CG 4.33Å; L67-F145 HydrophobicContact CD1-CB 3.71Å; L67-F145 HydrophobicContact CD1-CD1 4.29Å; L67-F145 HydrophobicContact CD1-CG 4.23Å; L67-F145 HydrophobicContact CD2-CD1 4.48Å; M72-F145 PolarHBondContact O-N 3.49Å; I73-F145 CarbonylContact C-O 3.53Å; I73-F145 WeakPolarHBondContact CA-O 3.46Å; I74-F145 PolarHBondContact N-O 3.16Å; F145-P147 HydrophobicContact CD1-CG 4.2Å; F145-P147 HydrophobicContact CE1-CB 4.19Å; F145-P147 HydrophobicContact CE1-CG 3.88Å; F145-P147 WeakPolarHBondContact O-CD 3.48Å
146V98.1Very high97.2Very high39 Ų3953.9 Ų53.924%0.23628%0.279CS..  trans-103.3112.1174.2-175.90000110.2I74 A139 A148I74-V146 WeakPolarHBondContact O-CA 3.29Å; A139-V146 HydrophobicContact CB-CG2 3.48Å; A139-V146 VanDerWaalsContact CB-CG2 3.48Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 HydrophobicContact CG1-CB 4.32Å; V146-A148 PolarHBondContact O-N 2.92Å
147P98Very high97.3Very high1 Ų155 Ų551%0.00628%0.28CS..  trans-61.5-34.2178.8-25.735000114.2M57 I58 I73 I74 E75 L85 F145 N152M57-P147 HydrophobicContact CB-CB 4.26Å; M57-P147 HydrophobicContact CE-CB 3.82Å; M57-P147 HydrophobicContact SD-CB 3.91Å; I58-P147 HydrophobicContact CD1-CG 4.35Å; I73-P147 HydrophobicContact CG2-CG 3.71Å; I74-P147 VanDerWaalsContact O-CD 3.28Å; I74-P147 WeakPolarHBondContact O-CD 3.43Å; E75-P147 WeakPolarHBondContact OE2-CD 3.35Å; L85-P147 HydrophobicContact CD1-CG 4.03Å; L85-P147 HydrophobicContact CD2-CB 4.5Å; L85-P147 HydrophobicContact CD2-CG 3.99Å; F145-P147 HydrophobicContact CD1-CG 4.2Å; F145-P147 HydrophobicContact CE1-CB 4.19Å; F145-P147 HydrophobicContact CE1-CG 3.88Å; F145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-N152 VanDerWaalsContact O-CB 3.27Å; P147-N152 WeakPolarHBondContact O-CB 3.33Å; P147-N152 PolarHBondContact O-ND2 3.42Å
148A96.9Very high97.4Very high33 Ų3350.3 Ų50.327%0.27326%0.264SS..  trans56.264.9175.700000113E75 V146 F150 D151 N152E75-A148 PolarHBondContact OE2-N 2.7Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 HydrophobicContact CG1-CB 4.32Å; V146-A148 PolarHBondContact O-N 2.92Å; A148-F150 PolarHBondContact O-N 2.67Å; A148-D151 PolarHBondContact O-N 2.96Å; A148-N152 WeakPolarHBondContact O-CB 3.01Å; A148-N152 PolarHBondContact O-N 2.69Å
149Q97.5Very high97.5Very high9 Ų949.3 Ų49.34%0.04226%0.259CS..THydrogen-bonded Turntrans-56.5-21.7-170.972.3-171.3-79.900116I53 M57 E75 T81 N155 T185I53-Q149 HydrophobicContact CD1-CB 4.07Å; M57-Q149 HydrophobicContact CE-CB 4.19Å; M57-Q149 HydrophobicContact SD-CB 4.33Å; E75-Q149 WeakPolarHBondContact OE1-CG 3.39Å; E75-Q149 PolarHBondContact OE1-N 3.38Å; E75-Q149 PolarHBondContact OE1-NE2 2.88Å; T81-Q149 HydrophobicContact CG2-CB 4.15Å; T81-Q149 PolarHBondContact OG1-OE1 2.6Å; Q149-N155 PolarHBondContact O-ND2 3.14Å; Q149-T185 HydrophobicContact CB-CG2 4.29Å; Q149-T185 HydrophobicContact CG-CG2 3.81Å
150F96.8Very high97.6Very high54 Ų5451.4 Ų51.424%0.23727%0.266CS..THydrogen-bonded Turntrans-88-12.3-179.8-66.8-80.3000113.8A148 T185 A231 F233 P235 S236 I237A148-F150 PolarHBondContact O-N 2.67Å; F150-T185 HydrophobicContact CD1-CG2 4Å; F150-T185 HydrophobicContact CE1-CG2 3.83Å; F150-T185 HydrophobicContact CZ-CG2 4.22Å; F150-A231 HydrophobicContact CE1-CB 3.84Å; F150-A231 HydrophobicContact CZ-CB 4.34Å; F150-F233 HydrophobicContact CB-CE2 4.32Å; F150-F233 HydrophobicContact CB-CZ 4.47Å; F150-F233 AromaticContact CD1-CE2 3.92Å; F150-F233 HydrophobicContact CD1-CE2 3.92Å; F150-F233 AromaticContact CD1-CZ 3.74Å; F150-F233 HydrophobicContact CD1-CZ 3.74Å; F150-F233 HydrophobicContact CD2-CZ 4.21Å; F150-F233 HydrophobicContact CE1-CE2 4.45Å; F150-F233 AromaticContact CE1-CZ 3.93Å; F150-F233 HydrophobicContact CE1-CZ 3.93Å; F150-F233 HydrophobicContact CE2-CZ 4.38Å; F150-F233 HydrophobicContact CG-CE2 4.14Å; F150-F233 AromaticContact CG-CZ 3.89Å; F150-F233 HydrophobicContact CG-CZ 3.89Å; F150-F233 HydrophobicContact CZ-CZ 4.25Å; F150-P235 HydrophobicContact CB-CB 4.47Å; F150-P235 HydrophobicContact CD1-CB 4Å; F150-P235 HydrophobicContact CD1-CG 3.9Å; F150-P235 HydrophobicContact CE1-CG 4.43Å; F150-S236 PolarHBondContact O-N 3.27Å; F150-S236 PolarHBondContact O-OG 3.02Å; F150-I237 WeakPolarHBondContact O-CG1 3.48Å; F150-I237 PolarHBondContact O-N 2.57Å
151D97.6Very high97.7Very high97 Ų9748 Ų4852%0.51925%0.25SS..THydrogen-bonded Turntrans-126-13.2-174.6-56.2-65000113.2A148 P153 S236 I237A148-D151 PolarHBondContact O-N 2.96Å; D151-P153 WeakPolarHBondContact O-CD 3.42Å; D151-S236 WeakPolarHBondContact CA-OG 3.39Å; D151-S236 WeakPolarHBondContact OD1-CB 3.12Å; D151-S236 PolarHBondContact OD1-OG 3.22Å; D151-I237 WeakPolarHBondContact O-CG2 3.32Å
152N98.4Very high97.8Very high30 Ų3045.4 Ų45.416%0.1624%0.242CC..  trans-81.4116.2-174.4-165.5-28.3000112.4M57 P147 A148 A154 N155M57-N152 HydrophobicContact CG-CB 4.25Å; M57-N152 WeakPolarHBondContact CG-ND2 3.21Å; M57-N152 HydrophobicContact SD-CB 3.85Å; P147-N152 VanDerWaalsContact O-CB 3.27Å; P147-N152 WeakPolarHBondContact O-CB 3.33Å; P147-N152 PolarHBondContact O-ND2 3.42Å; A148-N152 WeakPolarHBondContact O-CB 3.01Å; A148-N152 PolarHBondContact O-N 2.69Å; N152-A154 PolarHBondContact O-N 3.37Å; N152-A154 VanDerWaalsContact O-N 3.09Å; N152-A154 WeakPolarHBondContact OD1-CB 3.21Å; N152-A154 PolarHBondContact OD1-N 3.09Å; N152-N155 VanDerWaalsContact O-CB 3.25Å; N152-N155 WeakPolarHBondContact O-CB 3.26Å; N152-N155 PolarHBondContact O-N 3.18Å
153P98.2Very high98Very high94 Ų9439.7 Ų39.761%0.6122%0.217SC*.THydrogen-bonded Turntrans-64.5-16.4-179.327.4-36000113.6D151 N155 P156 K157D151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-N155 PolarHBondContact O-N 2.95Å; P153-P156 VanDerWaalsContact O-CD 3.29Å; P153-P156 WeakPolarHBondContact O-CD 3.45Å; P153-P156 WeakPolarHBondContact O-CG 3.36Å; P153-K157 WeakPolarHBondContact O-CB 3.22Å; P153-K157 PolarHBondContact O-N 3.13Å
154A98.6Very high98.2Very high2 Ų234 Ų342%0.01719%0.186CC..Hα-helixtrans-58.6-29.6170.300000112.6R56 M57 D60 N152 V158R56-A154 HydrophobicContact CG-CB 3.96Å; M57-A154 HydrophobicContact CG-CB 3.98Å; D60-A154 HydrophobicContact CB-CB 4.43Å; D60-A154 WeakPolarHBondContact OD2-CB 3.48Å; N152-A154 PolarHBondContact O-N 3.37Å; N152-A154 VanDerWaalsContact O-N 3.09Å; N152-A154 WeakPolarHBondContact OD1-CB 3.21Å; N152-A154 PolarHBondContact OD1-N 3.09Å; A154-V158 PolarHBondContact O-N 2.81Å
155N98.8Very high98.2Very high0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-64.7-60.6-179-176.2-16.7000112.7I53 Q149 N152 P153 K157 V158 H159 T185 G187 I237I53-N155 HydrophobicContact CB-CB 4.48Å; I53-N155 WeakPolarHBondContact CD1-ND2 3.49Å; I53-N155 HydrophobicContact CG2-CB 4.4Å; I53-N155 VanDerWaalsContact CG2-OD1 3.23Å; I53-N155 WeakPolarHBondContact CG2-OD1 3.35Å; Q149-N155 PolarHBondContact O-ND2 3.14Å; N152-N155 VanDerWaalsContact O-CB 3.25Å; N152-N155 WeakPolarHBondContact O-CB 3.26Å; N152-N155 PolarHBondContact O-N 3.18Å; P153-N155 PolarHBondContact O-N 2.95Å; N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 2.87Å; N155-V158 VanDerWaalsContact O-CG1 3.3Å; N155-V158 WeakPolarHBondContact O-CG1 3.38Å; N155-H159 PolarHBondContact O-CD2 3.25Å; N155-H159 VanDerWaalsContact O-CD2 3.3Å; N155-T185 PolarHBondContact ND2-OG1 3.1Å; N155-G187 WeakPolarHBondContact OD1-CA 3.47Å; N155-I237 HydrophobicContact CB-CD1 4.12Å
156P98.8Very high98.2Very high16 Ų1638.9 Ų38.910%0.10420%0.204CC..Hα-helixtrans-63.6-35.517526.1-34.6000112P153 V158 H159 E160 G187 T190 G191 I237P153-P156 VanDerWaalsContact O-CD 3.29Å; P153-P156 WeakPolarHBondContact O-CD 3.45Å; P153-P156 WeakPolarHBondContact O-CG 3.36Å; P156-V158 PolarHBondContact O-N 3.46Å; P156-H159 WeakPolarHBondContact O-CB 3.18Å; P156-H159 PolarHBondContact O-N 3.4Å; P156-H159 VanDerWaalsContact O-N 3.11Å; P156-E160 PolarHBondContact O-N 3.2Å; P156-G187 WeakPolarHBondContact CA-O 3.15Å; P156-T190 HydrophobicContact CB-CG2 3.78Å; P156-G191 VanDerWaalsContact O-CA 3.25Å; P156-G191 WeakPolarHBondContact O-CA 3.5Å; P156-I237 HydrophobicContact CG-CB 4.35Å
157K98.7Very high98.2Very high96 Ų9637 Ų3742%0.41719%0.193SC..Hα-helixtrans-61.1-42-176.8-172.4173.3-177.8178.40113.6P153 N155 H159 E160 E161P153-K157 WeakPolarHBondContact O-CB 3.22Å; P153-K157 PolarHBondContact O-N 3.13Å; N155-K157 VanDerWaalsContact C-N 3.27Å; N155-K157 PolarHBondContact O-N 2.87Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.35Å; K157-E160 PolarHBondContact O-N 3.35Å; K157-E161 WeakPolarHBondContact CE-OE1 3.31Å; K157-E161 HydrophobicContact CG-CG 4.35Å; K157-E161 WeakPolarHBondContact CG-OE1 3.37Å; K157-E161 IonicContact NZ-OE1 3.63Å; K157-E161 WeakPolarHBondContact O-CB 3.4Å; K157-E161 WeakPolarHBondContact O-CG 3.35Å; K157-E161 PolarHBondContact O-N 3.35Å
158V98.8Very high98.2Very high10 Ų1037.8 Ų37.86%0.06120%0.197CC..Hα-helixtrans-64.4-34.6176.665.90000112.1R52 I53 R56 A154 N155 P156 T162R52-V158 HydrophobicContact CB-CG1 4.26Å; R52-V158 HydrophobicContact CB-CG2 4.2Å; I53-V158 HydrophobicContact CB-CG1 4.48Å; I53-V158 HydrophobicContact CG2-CG1 3.86Å; R56-V158 HydrophobicContact CB-CB 3.78Å; R56-V158 HydrophobicContact CB-CG1 4.15Å; R56-V158 HydrophobicContact CB-CG2 4.01Å; R56-V158 HydrophobicContact CG-CB 3.86Å; R56-V158 HydrophobicContact CG-CG2 4.42Å; A154-V158 PolarHBondContact O-N 2.81Å; N155-V158 VanDerWaalsContact O-CG1 3.3Å; N155-V158 WeakPolarHBondContact O-CG1 3.38Å; P156-V158 PolarHBondContact O-N 3.46Å; V158-T162 HydrophobicContact CG2-CG2 4.08Å; V158-T162 WeakPolarHBondContact O-CB 3.29Å; V158-T162 PolarHBondContact O-N 3.27Å; V158-T162 PolarHBondContact O-OG1 3.31Å
159H98.9Very high98.2Very high0 Ų040.8 Ų40.80%021%0.208CC..Iπ-helixtrans-70.2-39.1178.2-74.6-55000112.1V49 I53 N155 P156 K157 T163 A164 T188 V192V49-H159 VanDerWaalsContact CG2-CE1 3.4Å; V49-H159 WeakPolarHBondContact CG2-CE1 3.25Å; I53-H159 WeakPolarHBondContact CG2-NE2 3.28Å; N155-H159 PolarHBondContact O-CD2 3.25Å; N155-H159 VanDerWaalsContact O-CD2 3.3Å; P156-H159 WeakPolarHBondContact O-CB 3.18Å; P156-H159 PolarHBondContact O-N 3.4Å; P156-H159 VanDerWaalsContact O-N 3.11Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.35Å; H159-T163 PolarHBondContact ND1-OG1 3.24Å; H159-T163 WeakPolarHBondContact O-CB 3.41Å; H159-T163 PolarHBondContact O-N 3.06Å; H159-A164 WeakPolarHBondContact O-CB 3.29Å; H159-A164 PolarHBondContact O-N 2.86Å; H159-T188 VanDerWaalsContact CD2-CA 3.41Å; H159-T188 WeakPolarHBondContact CD2-CA 3.35Å; H159-T188 PolarHBondContact CD2-N 3.34Å; H159-T188 PolarHBondContact NE2-OG1 3.3Å; H159-V192 HydrophobicContact CB-CG2 4.15Å
160E98.7Very high98.2Very high55 Ų5543.3 Ų43.326%0.25723%0.231SC..Iπ-helixtrans-62.8-47.9173-167.3171.1158.900111.3P156 K157 G191 N194 E195 R198P156-E160 PolarHBondContact O-N 3.2Å; K157-E160 PolarHBondContact O-N 3.35Å; E160-G191 VanDerWaalsContact CA-O 3.29Å; E160-G191 WeakPolarHBondContact CA-O 3.33Å; E160-G191 WeakPolarHBondContact CB-O 3.39Å; E160-N194 HydrophobicContact CG-CB 4.26Å; E160-N194 PolarHBondContact OE2-ND2 3.31Å; E160-E195 HydrophobicContact CG-CB 4.2Å; E160-R198 IonicContact OE1-NH1 2.76Å
161E98.4Very high98.2Very high93 Ų9341.2 Ų41.244%0.43522%0.222SC..Iπ-helixtrans-78.6-24.8-173.8-68.6174.7172.300114.3R56 K157R56-E161 IonicContact CZ-OE2 2.67Å; R56-E161 IonicContact NH1-OE2 2.63Å; R56-E161 PolarHBondContact NH1-OE2 3.4Å; R56-E161 IonicContact NH2-OE1 3.45Å; R56-E161 IonicContact NH2-OE2 2.61Å; R56-E161 PolarHBondContact NH2-OE2 2.66Å; K157-E161 WeakPolarHBondContact CE-OE1 3.31Å; K157-E161 HydrophobicContact CG-CG 4.35Å; K157-E161 WeakPolarHBondContact CG-OE1 3.37Å; K157-E161 IonicContact NZ-OE1 3.63Å; K157-E161 WeakPolarHBondContact O-CB 3.4Å; K157-E161 WeakPolarHBondContact O-CG 3.35Å; K157-E161 PolarHBondContact O-N 3.35Å
162T98.5Very high98Very high47 Ų4743 Ų4329%0.28823%0.227SC..Iπ-helixtrans-120.3-69.1-174.871.10000112.4R52 V158 A164 K165 E166R52-T162 PolarHBondContact NH1-OG1 3.3Å; V158-T162 HydrophobicContact CG2-CG2 4.08Å; V158-T162 WeakPolarHBondContact O-CB 3.29Å; V158-T162 PolarHBondContact O-N 3.27Å; V158-T162 PolarHBondContact O-OG1 3.31Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 2.96Å; T162-K165 WeakPolarHBondContact O-CB 3.43Å; T162-K165 PolarHBondContact O-N 3.4Å; T162-K165 VanDerWaalsContact O-N 3.1Å; T162-E166 WeakPolarHBondContact O-CG 3.32Å; T162-E166 PolarHBondContact O-N 3.44Å
163T98.8Very high97.3Very high0 Ų051.4 Ų51.40%026%0.262CS..Iπ-helixtrans-56-45.2-174.1-50.40000111.6R52 H159 E166 I167 V192 L296R52-T163 VanDerWaalsContact CD-OG1 3.25Å; R52-T163 WeakPolarHBondContact CD-OG1 3.48Å; R52-T163 PolarHBondContact NE-OG1 2.6Å; H159-T163 PolarHBondContact ND1-OG1 3.24Å; H159-T163 WeakPolarHBondContact O-CB 3.41Å; H159-T163 PolarHBondContact O-N 3.06Å; T163-E166 PolarHBondContact O-N 3.34Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CD1 3.36Å; T163-I167 VanDerWaalsContact O-CG1 3.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.33Å; T163-I167 PolarHBondContact O-N 2.98Å; T163-I167 VanDerWaalsContact O-N 3.16Å; T163-V192 HydrophobicContact CG2-CG2 3.87Å; T163-L296 HydrophobicContact CG2-CD1 4.03Å
164A98.4Very high96.5Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-71.9-37.2-17900000112.2H159 T162 E166 I167 V168 V192 E195H159-A164 WeakPolarHBondContact O-CB 3.29Å; H159-A164 PolarHBondContact O-N 2.86Å; T162-A164 VanDerWaalsContact C-N 3.29Å; T162-A164 PolarHBondContact O-N 2.96Å; A164-E166 VanDerWaalsContact C-N 3.35Å; A164-E166 PolarHBondContact O-N 2.98Å; A164-I167 WeakPolarHBondContact O-CB 3.24Å; A164-I167 PolarHBondContact O-N 3.13Å; A164-I167 VanDerWaalsContact O-N 3.13Å; A164-V168 WeakPolarHBondContact O-CG2 3.45Å; A164-V168 PolarHBondContact O-N 3.38Å; A164-V192 HydrophobicContact CB-CB 4.33Å; A164-V192 HydrophobicContact CB-CG1 4.22Å; A164-V192 HydrophobicContact CB-CG2 4.26Å; A164-E195 HydrophobicContact CB-CB 3.36Å; A164-E195 HydrophobicContact CB-CG 3.51Å
165K96.9Very high96.2Very high125 Ų12553.4 Ų53.454%0.54327%0.27SS..Hα-helixtrans-61.2-42.3172.8-173.3177.6-179.41800112T162 I167 V168 N169T162-K165 WeakPolarHBondContact O-CB 3.43Å; T162-K165 PolarHBondContact O-N 3.4Å; T162-K165 VanDerWaalsContact O-N 3.1Å; K165-I167 VanDerWaalsContact C-N 3.27Å; K165-I167 PolarHBondContact O-N 3.01Å; K165-V168 PolarHBondContact O-N 2.98Å; K165-N169 VanDerWaalsContact O-CB 3.32Å; K165-N169 WeakPolarHBondContact O-CB 3.5Å; K165-N169 PolarHBondContact O-N 3.41Å; K165-N169 PolarHBondContact O-ND2 3.5Å
166E98.3Very high96.1Very high16 Ų1653.7 Ų53.78%0.07527%0.272CS..Hα-helixtrans-59.3-40.1173.5-68165.8-153.800111.4E19 K39 R52 T162 T163 A164 A170E19-E166 PolarHBondContact N-OE1 3.06Å; E19-E166 PolarHBondContact N-OE2 3.38Å; K39-E166 WeakPolarHBondContact CE-OE2 3.43Å; K39-E166 IonicContact NZ-OE2 2.7Å; K39-E166 PolarHBondContact NZ-OE2 2.7Å; R52-E166 IonicContact CZ-OE1 3.03Å; R52-E166 IonicContact CZ-OE2 3.97Å; R52-E166 IonicContact NH1-OE1 3.15Å; R52-E166 PolarHBondContact NH1-OE1 3.31Å; R52-E166 IonicContact NH1-OE2 3.91Å; R52-E166 IonicContact NH2-OE1 3.14Å; R52-E166 PolarHBondContact NH2-OE1 3.38Å; R52-E166 IonicContact NH2-OE2 3.56Å; R52-E166 PolarHBondContact NH2-OE2 3.4Å; T162-E166 WeakPolarHBondContact O-CG 3.32Å; T162-E166 PolarHBondContact O-N 3.44Å; T163-E166 PolarHBondContact O-N 3.34Å; A164-E166 VanDerWaalsContact C-N 3.35Å; A164-E166 PolarHBondContact O-N 2.98Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.01Å; E166-A170 VanDerWaalsContact O-N 3.16Å
167I98.5Very high96.1Very high0 Ų055.5 Ų55.50%028%0.281CS..Hα-helixtrans-67.3-50.8176.9-67.1164.2000110.9I22 T163 A164 K165 N169 A170 F171 L176 F179 V192 L196 L294I22-I167 HydrophobicContact CD1-CG1 4.24Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CD1 3.36Å; T163-I167 VanDerWaalsContact O-CG1 3.29Å; T163-I167 WeakPolarHBondContact O-CG1 3.33Å; T163-I167 PolarHBondContact O-N 2.98Å; T163-I167 VanDerWaalsContact O-N 3.16Å; A164-I167 WeakPolarHBondContact O-CB 3.24Å; A164-I167 PolarHBondContact O-N 3.13Å; A164-I167 VanDerWaalsContact O-N 3.13Å; K165-I167 VanDerWaalsContact C-N 3.27Å; K165-I167 PolarHBondContact O-N 3.01Å; I167-N169 VanDerWaalsContact C-N 3.27Å; I167-N169 PolarHBondContact O-N 3.46Å; I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 2.97Å; I167-F171 HydrophobicContact CG2-CD2 3.93Å; I167-F171 HydrophobicContact CG2-CE2 4.27Å; I167-F171 WeakPolarHBondContact O-CD2 3.47Å; I167-F171 PolarHBondContact O-N 3.24Å; I167-L176 HydrophobicContact CG2-CD1 3.51Å; I167-F179 HydrophobicContact CD1-CE2 4.3Å; I167-V192 HydrophobicContact CD1-CG1 3.82Å; I167-L196 HydrophobicContact CB-CD2 4.46Å; I167-L196 HydrophobicContact CG2-CD2 3.82Å; I167-L294 HydrophobicContact CB-CD2 4.17Å; I167-L294 HydrophobicContact CD1-CD2 3.52Å; I167-L294 HydrophobicContact CG1-CD2 3.56Å; I167-L294 HydrophobicContact CG2-CD2 3.5Å
168V97.7Very high96.1Very high17 Ų1751 Ų5110%0.10326%0.261CS..Hα-helixtrans-59.2-40.3179.2170.40000110.9A164 K165 A170 E172 E195 L196 M199 Y200A164-V168 WeakPolarHBondContact O-CG2 3.45Å; A164-V168 PolarHBondContact O-N 3.38Å; K165-V168 PolarHBondContact O-N 2.98Å; V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.15Å; V168-E172 VanDerWaalsContact O-CA 3.24Å; V168-E172 WeakPolarHBondContact O-CA 2.96Å; V168-E172 PolarHBondContact O-N 3.33Å; V168-E195 HydrophobicContact CG2-CG 4.09Å; V168-L196 HydrophobicContact CG2-CD2 3.9Å; V168-M199 HydrophobicContact CG1-CE 3.99Å; V168-M199 HydrophobicContact CG1-CG 4.13Å; V168-M199 HydrophobicContact CG2-CB 4.18Å; V168-M199 HydrophobicContact CG2-CG 3.81Å; V168-Y200 HydrophobicContact CG2-CE2 4.46Å
169N96.7Very high96.1Very high95 Ų9550.5 Ų50.551%0.50826%0.258SS..Hα-helixtrans-66.4-29.2175.6-70.3-16.1000112.9K165 I167 E172K165-N169 VanDerWaalsContact O-CB 3.32Å; K165-N169 WeakPolarHBondContact O-CB 3.5Å; K165-N169 PolarHBondContact O-N 3.41Å; K165-N169 PolarHBondContact O-ND2 3.5Å; I167-N169 VanDerWaalsContact C-N 3.27Å; I167-N169 PolarHBondContact O-N 3.46Å; N169-E172 VanDerWaalsContact O-CG 3.24Å; N169-E172 WeakPolarHBondContact O-CG 3.26Å
170A97.3Very high96.1Very high62 Ų6250.5 Ų50.551%0.51226%0.258SS..Hα-helixtrans-80.6-35.4-179.600000113I22 E166 I167 V168I22-A170 HydrophobicContact CD1-CB 3.64Å; E166-A170 WeakPolarHBondContact O-CB 3.42Å; E166-A170 PolarHBondContact O-N 3.01Å; E166-A170 VanDerWaalsContact O-N 3.16Å; I167-A170 WeakPolarHBondContact O-CB 3.24Å; I167-A170 PolarHBondContact O-N 2.97Å; V168-A170 VanDerWaalsContact C-N 3.28Å; V168-A170 PolarHBondContact O-N 3.15Å
171F97.3Very high96.1Very high11 Ų1148 Ų485%0.04825%0.247CC..Hα-helixtrans-96.3-20.2-179.4-71-84000113.2I22 Y37 I167 K173 N174 G175 L176 K292 L294I22-F171 HydrophobicContact CD1-CE2 4.05Å; I22-F171 HydrophobicContact CG2-CE2 4.3Å; I22-F171 HydrophobicContact CG2-CZ 4.22Å; Y37-F171 HydrophobicContact CD1-CE1 4.11Å; Y37-F171 AromaticContact CD1-CZ 3.9Å; Y37-F171 HydrophobicContact CD1-CZ 3.9Å; Y37-F171 AromaticContact CD2-CE1 3.91Å; Y37-F171 HydrophobicContact CD2-CE1 3.91Å; Y37-F171 HydrophobicContact CD2-CZ 4Å; Y37-F171 HydrophobicContact CE1-CE1 4.16Å; Y37-F171 HydrophobicContact CE1-CZ 4.4Å; Y37-F171 HydrophobicContact CE2-CE1 4Å; Y37-F171 AromaticContact CG-CE1 3.97Å; Y37-F171 HydrophobicContact CG-CE1 3.97Å; Y37-F171 AromaticContact CG-CZ 3.67Å; Y37-F171 HydrophobicContact CG-CZ 3.67Å; I167-F171 HydrophobicContact CG2-CD2 3.93Å; I167-F171 HydrophobicContact CG2-CE2 4.27Å; I167-F171 WeakPolarHBondContact O-CD2 3.47Å; I167-F171 PolarHBondContact O-N 3.24Å; F171-K173 PolarHBondContact O-N 2.87Å; F171-N174 WeakPolarHBondContact O-CA 3.49Å; F171-N174 WeakPolarHBondContact O-CB 3.47Å; F171-N174 PolarHBondContact O-N 3.32Å; F171-G175 PolarHBondContact O-N 2.63Å; F171-L176 HydrophobicContact CB-CG 4.22Å; F171-L176 HydrophobicContact CD1-CD2 3.6Å; F171-L176 HydrophobicContact CD1-CG 3.84Å; F171-L176 HydrophobicContact CD2-CD1 3.66Å; F171-L176 HydrophobicContact CD2-CD2 4Å; F171-L176 HydrophobicContact CD2-CG 3.76Å; F171-L176 HydrophobicContact CE1-CD2 3.43Å; F171-L176 VanDerWaalsContact CE1-CD2 3.43Å; F171-L176 HydrophobicContact CE1-CG 4.15Å; F171-L176 HydrophobicContact CE2-CD1 3.86Å; F171-L176 HydrophobicContact CE2-CD2 3.84Å; F171-L176 HydrophobicContact CE2-CG 4.07Å; F171-L176 HydrophobicContact CG-CD1 4.08Å; F171-L176 HydrophobicContact CG-CD2 3.9Å; F171-L176 HydrophobicContact CG-CG 3.66Å; F171-L176 HydrophobicContact CZ-CD1 4.44Å; F171-L176 HydrophobicContact CZ-CD2 3.56Å; F171-L176 HydrophobicContact CZ-CG 4.27Å; F171-K292 HydrophobicContact CD1-CD 4.33Å; F171-K292 HydrophobicContact CE1-CD 4.38Å; F171-L294 HydrophobicContact CE2-CD1 4.11Å; F171-L294 HydrophobicContact CE2-CD2 4.19Å; F171-L294 HydrophobicContact CZ-CD1 4.25Å
172E93.4Very high96.1Very high134 Ų13444.6 Ų44.663%0.62624%0.237SC*.G310 helixtrans42.9-129.4179.2-57.5-173.1148.900111.5V168 N169 N174 Y200V168-E172 VanDerWaalsContact O-CA 3.24Å; V168-E172 WeakPolarHBondContact O-CA 2.96Å; V168-E172 PolarHBondContact O-N 3.33Å; N169-E172 VanDerWaalsContact O-CG 3.24Å; N169-E172 WeakPolarHBondContact O-CG 3.26Å; E172-N174 VanDerWaalsContact C-N 3.31Å; E172-Y200 WeakPolarHBondContact O-CE1 3.18Å; E172-Y200 PolarHBondContact O-OH 3.45Å
173K83.5Confident96.1Very high207 Ų20742.6 Ų42.690%0.923%0.225SC*.G310 helixtrans-75.6-16.6177.2-62.9-179.8-178.7178.50113.5F171 G175F171-K173 PolarHBondContact O-N 2.87Å; K173-G175 PolarHBondContact O-N 3.38Å
174N82.9Confident95.9Very high124 Ų12443.2 Ų43.266%0.66323%0.231SC*.G310 helixtrans-73-11.8-179.9-65.9-39.3000112.4F171 E172 K292F171-N174 WeakPolarHBondContact O-CA 3.49Å; F171-N174 WeakPolarHBondContact O-CB 3.47Å; F171-N174 PolarHBondContact O-N 3.32Å; E172-N174 VanDerWaalsContact C-N 3.31Å; N174-K292 PolarHBondContact O-NZ 2.61Å
175G90.7Very high95.8Very high13 Ų1343.4 Ų43.413%0.13423%0.232CC..  trans71171.9166.200000116.2F171 K173F171-G175 PolarHBondContact O-N 2.63Å; K173-G175 PolarHBondContact O-N 3.38Å
176L97.3Very high95.9Very high7 Ų737.6 Ų37.64%0.03721%0.208CC..  trans-131.2138.1169.4-80.5174.7000108.9I167 F171 Y200 I203 K292 L294I167-L176 HydrophobicContact CG2-CD1 3.51Å; F171-L176 HydrophobicContact CB-CG 4.22Å; F171-L176 HydrophobicContact CD1-CD2 3.6Å; F171-L176 HydrophobicContact CD1-CG 3.84Å; F171-L176 HydrophobicContact CD2-CD1 3.66Å; F171-L176 HydrophobicContact CD2-CD2 4Å; F171-L176 HydrophobicContact CD2-CG 3.76Å; F171-L176 HydrophobicContact CE1-CD2 3.43Å; F171-L176 VanDerWaalsContact CE1-CD2 3.43Å; F171-L176 HydrophobicContact CE1-CG 4.15Å; F171-L176 HydrophobicContact CE2-CD1 3.86Å; F171-L176 HydrophobicContact CE2-CD2 3.84Å; F171-L176 HydrophobicContact CE2-CG 4.07Å; F171-L176 HydrophobicContact CG-CD1 4.08Å; F171-L176 HydrophobicContact CG-CD2 3.9Å; F171-L176 HydrophobicContact CG-CG 3.66Å; F171-L176 HydrophobicContact CZ-CD1 4.44Å; F171-L176 HydrophobicContact CZ-CD2 3.56Å; F171-L176 HydrophobicContact CZ-CG 4.27Å; L176-Y200 HydrophobicContact CB-CD2 4.23Å; L176-Y200 HydrophobicContact CB-CE2 4.3Å; L176-I203 HydrophobicContact CB-CD1 3.83Å; L176-I203 HydrophobicContact CB-CG1 4.48Å; L176-I203 WeakPolarHBondContact O-CG1 3.11Å; L176-K292 HydrophobicContact CD2-CB 3.97Å; L176-L294 HydrophobicContact CD1-CB 3.87Å; L176-L294 HydrophobicContact CD1-CD2 3.98Å; L176-L294 HydrophobicContact CD2-CB 3.92Å
177D98.1Very high95.9Very high54 Ų5436.9 Ų36.929%0.28920%0.204SC..SBendtrans-92.4-31.5177.3-60.8-90.5000111.5K204 M287 Q291 K292D177-K204 PolarHBondContact O-N 2.95Å; D177-M287 HydrophobicContact CB-CE 3.73Å; D177-Q291 HydrophobicContact CB-CB 4.11Å; D177-Q291 PolarHBondContact OD1-NE2 3.44Å; D177-Q291 WeakPolarHBondContact OD2-CA 3.39Å; D177-Q291 WeakPolarHBondContact OD2-CB 3.43Å; D177-K292 PolarHBondContact N-O 3.17Å; D177-K292 PolarHBondContact OD2-N 3.31Å
178A98.6Very high95.9Very high1 Ų137.4 Ų37.41%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-144147.1176.800000113.8K204 Y206 M283 M287 K292 V293 L294A178-K204 CarbonylContact C-O 3.5Å; A178-K204 WeakPolarHBondContact CA-O 3.4Å; A178-Y206 HydrophobicContact CB-CD2 4.19Å; A178-Y206 HydrophobicContact CB-CE2 3.86Å; A178-M283 HydrophobicContact CB-CE 4.15Å; A178-M287 HydrophobicContact CB-CE 4.39Å; A178-K292 PolarHBondContact N-O 3.15Å; A178-K292 VanDerWaalsContact N-O 3.12Å; A178-V293 HydrophobicContact CB-CB 4.47Å; A178-V293 HydrophobicContact CB-CG1 4.14Å; A178-V293 HydrophobicContact CB-CG2 4.15Å; A178-V293 WeakPolarHBondContact O-CA 3.46Å; A178-L294 PolarHBondContact O-N 3.43Å
179F98.8Very high96Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-123.6132.2167.2175.8-107.2000110I167 A181 V192 L196 I203 K204 I205 Y206 L294 L296I167-F179 HydrophobicContact CD1-CE2 4.3Å; F179-A181 HydrophobicContact CE1-CB 3.72Å; F179-A181 HydrophobicContact CZ-CB 3.86Å; F179-V192 HydrophobicContact CD1-CG1 4.06Å; F179-V192 HydrophobicContact CD2-CG1 4.24Å; F179-V192 HydrophobicContact CE1-CB 3.89Å; F179-V192 HydrophobicContact CE1-CG1 3.73Å; F179-V192 HydrophobicContact CE2-CG1 3.92Å; F179-V192 HydrophobicContact CG-CG1 4.3Å; F179-V192 HydrophobicContact CZ-CB 3.96Å; F179-V192 HydrophobicContact CZ-CG1 3.65Å; F179-V192 HydrophobicContact CZ-CG2 4.3Å; F179-L196 HydrophobicContact CB-CD1 3.75Å; F179-L196 HydrophobicContact CD1-CD1 4.42Å; F179-L196 HydrophobicContact CD2-CD1 4.14Å; F179-L196 HydrophobicContact CG-CD1 3.85Å; F179-I203 HydrophobicContact CB-CD1 4.19Å; F179-K204 PolarHBondContact N-O 3.24Å; F179-I205 HydrophobicContact CB-CD1 3.71Å; F179-I205 HydrophobicContact CD1-CD1 4.27Å; F179-I205 HydrophobicContact CD1-CG2 4.36Å; F179-I205 HydrophobicContact CG-CD1 4.45Å; F179-Y206 PolarHBondContact O-N 2.89Å; F179-L294 CarbonylContact C-O 3.56Å; F179-L294 WeakPolarHBondContact CA-O 3.36Å; F179-L294 HydrophobicContact CD2-CB 4.28Å; F179-L294 HydrophobicContact CD2-CD2 4.04Å; F179-L294 HydrophobicContact CD2-CG 4.23Å; F179-L294 HydrophobicContact CE2-CD2 4.25Å; F179-L296 HydrophobicContact CE2-CB 4.1Å; F179-L296 HydrophobicContact CZ-CB 4.09Å; F179-L296 HydrophobicContact CZ-CD1 4.44Å
180V98.9Very high96.1Very high0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-123.5128.4-177.4-172.80000109.5Y206 V208 A279 A280 V293 L294 V295 L296V180-Y206 HydrophobicContact CG2-CD2 4.37Å; V180-V208 HydrophobicContact CG1-CG2 3.58Å; V180-A279 HydrophobicContact CG1-CB 4.34Å; V180-A280 HydrophobicContact CB-CB 4.28Å; V180-A280 HydrophobicContact CG1-CB 4.42Å; V180-A280 HydrophobicContact CG2-CB 4Å; V180-V293 HydrophobicContact CG2-CG1 3.83Å; V180-L294 PolarHBondContact N-O 3.5Å; V180-V295 HydrophobicContact CB-CG1 4.33Å; V180-V295 HydrophobicContact CB-CG2 4.49Å; V180-V295 WeakPolarHBondContact O-CA 3.47Å; V180-L296 PolarHBondContact O-N 3.49Å; V180-L296 VanDerWaalsContact O-N 3.12Å
181A98.8Very high96.2Very high1 Ų129.6 Ų29.61%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-146.7140.6176.200000112.2F179 I189 Y206 V208F179-A181 HydrophobicContact CE1-CB 3.72Å; F179-A181 HydrophobicContact CZ-CB 3.86Å; A181-I189 HydrophobicContact CB-CB 4.34Å; A181-Y206 PolarHBondContact N-O 3.43Å; A181-Y206 VanDerWaalsContact N-O 3.13Å; A181-V208 PolarHBondContact O-N 3.25Å
182G98.5Very high96.2Very high22 Ų2229 Ų2923%0.22716%0.155CC..EExtended strand (participates in β ladder)trans-69.1140.7170.100000112.6V208G182-V208 WeakPolarHBondContact CA-O 3.27Å
183V98.5Very high96.5Very high6 Ų622.7 Ų22.74%0.03613%0.125CC..  trans-101.499.7-176.8-176.10000111.2I189 A207 V208 L216 I229 G230 L238V183-I189 HydrophobicContact CG2-CD1 4.33Å; V183-I189 HydrophobicContact CG2-CG2 4.09Å; V183-A207 HydrophobicContact CG2-CB 3.68Å; V183-V208 PolarHBondContact N-O 2.85Å; V183-L216 HydrophobicContact CB-CD1 3.72Å; V183-L216 HydrophobicContact CG1-CD1 3.85Å; V183-L216 HydrophobicContact CG1-CD2 4.44Å; V183-L216 HydrophobicContact CG2-CD1 3.75Å; V183-I229 WeakPolarHBondContact O-CA 3.38Å; V183-I229 WeakPolarHBondContact O-CB 3.48Å; V183-G230 PolarHBondContact O-N 2.95Å; V183-L238 HydrophobicContact CG1-CD1 4.32Å; V183-L238 HydrophobicContact CG1-CD2 3.82Å
184G95.4Very high97.2Very high13 Ų1315.3 Ų15.313%0.13410%0.096CC..SBendtrans-93.7-86.4164.800000110.7G186 G228 P235G184-G186 VanDerWaalsContact C-N 3.33Å; G184-G228 WeakPolarHBondContact CA-O 3.3Å; G184-P235 WeakPolarHBondContact O-CG 3.37Å
185T96.8Very high97.9Very high3 Ų310.4 Ų10.42%0.0187%0.069CC..SBendtrans-79.9-16.1174.868.20000113.1Q149 F150 N155 G187 P235 I237Q149-T185 HydrophobicContact CB-CG2 4.29Å; Q149-T185 HydrophobicContact CG-CG2 3.81Å; F150-T185 HydrophobicContact CD1-CG2 4Å; F150-T185 HydrophobicContact CE1-CG2 3.83Å; F150-T185 HydrophobicContact CZ-CG2 4.22Å; N155-T185 PolarHBondContact ND2-OG1 3.1Å; T185-G187 PolarHBondContact O-N 3.38Å; T185-G187 PolarHBondContact OG1-N 2.95Å; T185-P235 WeakPolarHBondContact O-CB 3.27Å; T185-P235 WeakPolarHBondContact O-CG 3.01Å; T185-I237 WeakPolarHBondContact O-CD1 3.49Å; T185-I237 WeakPolarHBondContact O-CG1 3.45Å
186G98Very high98.3Very high4 Ų49.8 Ų9.84%0.0416%0.062CC..SBendtrans80.9-12.5-172.900000115.3G184 T188 I189 T190G184-G186 VanDerWaalsContact C-N 3.33Å; G186-T188 PolarHBondContact O-N 3.31Å; G186-I189 WeakPolarHBondContact O-CG2 3.19Å; G186-I189 PolarHBondContact O-N 3.04Å; G186-T190 WeakPolarHBondContact O-CB 3.45Å; G186-T190 PolarHBondContact O-N 2.81Å; G186-T190 PolarHBondContact O-OG1 3.24Å
187G98.7Very high98.3Very high0 Ų012.8 Ų12.80%08%0.075CC..Hα-helixtrans-62-41.1-175.500000113.8N155 P156 T185 G191 I237N155-G187 WeakPolarHBondContact OD1-CA 3.47Å; P156-G187 WeakPolarHBondContact CA-O 3.15Å; T185-G187 PolarHBondContact O-N 3.38Å; T185-G187 PolarHBondContact OG1-N 2.95Å; G187-G191 PolarHBondContact O-N 3.46Å; G187-I237 VanDerWaalsContact CA-CD1 3.44Å; G187-I237 VanDerWaalsContact N-CD1 3.32Å
188T98.8Very high98.2Very high12 Ų1217.5 Ų17.57%0.0749%0.089CC..Hα-helixtrans-63.8-48.8179.2-49.80000112.4H159 G186 V192 L296H159-T188 VanDerWaalsContact CD2-CA 3.41Å; H159-T188 WeakPolarHBondContact CD2-CA 3.35Å; H159-T188 PolarHBondContact CD2-N 3.34Å; H159-T188 PolarHBondContact NE2-OG1 3.3Å; G186-T188 PolarHBondContact O-N 3.31Å; T188-V192 HydrophobicContact CG2-CG2 4.3Å; T188-V192 VanDerWaalsContact O-CB 3.25Å; T188-V192 WeakPolarHBondContact O-CB 3.35Å; T188-V192 VanDerWaalsContact O-CG2 3.29Å; T188-V192 WeakPolarHBondContact O-CG2 3.46Å; T188-V192 PolarHBondContact O-N 2.9Å; T188-L296 HydrophobicContact CG2-CD1 3.49Å; T188-L296 VanDerWaalsContact CG2-CD1 3.49Å; T188-L296 HydrophobicContact CG2-CD2 4.11Å; T188-L296 HydrophobicContact CG2-CG 4.34Å
189I98.8Very high98Very high1 Ų121.8 Ų21.81%0.00511%0.11CC..Hα-helixtrans-70.1-37-179.1-164.4168.3000111.9A181 V183 G186 G193 I205 Y206 A207 L238 I242 Y243A181-I189 HydrophobicContact CB-CB 4.34Å; V183-I189 HydrophobicContact CG2-CD1 4.33Å; V183-I189 HydrophobicContact CG2-CG2 4.09Å; G186-I189 WeakPolarHBondContact O-CG2 3.19Å; G186-I189 PolarHBondContact O-N 3.04Å; I189-G193 VanDerWaalsContact O-CA 3.31Å; I189-G193 WeakPolarHBondContact O-CA 3.36Å; I189-G193 PolarHBondContact O-N 3.38Å; I189-I205 HydrophobicContact CD1-CG2 3.95Å; I189-I205 HydrophobicContact CG1-CG2 3.69Å; I189-Y206 WeakPolarHBondContact CD1-O 3.29Å; I189-A207 VanDerWaalsContact CD1-CA 3.48Å; I189-A207 HydrophobicContact CD1-CB 3.73Å; I189-L238 HydrophobicContact CG2-CD1 3.57Å; I189-I242 HydrophobicContact CG1-CG2 4.36Å; I189-Y243 HydrophobicContact CD1-CD1 4.27Å
190T98.8Very high97.9Very high8 Ų823 Ų235%0.04912%0.115CC..Hα-helixtrans-62.2-57.1173.9-62.30000110.9P156 G186 G193 N194 I237 L238 N239P156-T190 HydrophobicContact CB-CG2 3.78Å; G186-T190 WeakPolarHBondContact O-CB 3.45Å; G186-T190 PolarHBondContact O-N 2.81Å; G186-T190 PolarHBondContact O-OG1 3.24Å; T190-G193 PolarHBondContact O-N 3.44Å; T190-N194 PolarHBondContact O-N 2.91Å; T190-N194 PolarHBondContact O-OD1 2.9Å; T190-I237 PolarHBondContact OG1-O 2.97Å; T190-I237 VanDerWaalsContact OG1-O 3.13Å; T190-L238 WeakPolarHBondContact OG1-CA 3.48Å; T190-N239 HydrophobicContact CG2-CB 3.78Å; T190-N239 PolarHBondContact OG1-N 2.95Å
191G98.8Very high97.7Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-66.2-47.1-174.200000113P156 E160 G187P156-G191 VanDerWaalsContact O-CA 3.25Å; P156-G191 WeakPolarHBondContact O-CA 3.5Å; E160-G191 VanDerWaalsContact CA-O 3.29Å; E160-G191 WeakPolarHBondContact CA-O 3.33Å; E160-G191 WeakPolarHBondContact CB-O 3.39Å; G187-G191 PolarHBondContact O-N 3.46Å
192V98.8Very high97.5Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-66.7-42.5176.6179.30000111.1H159 T163 A164 I167 F179 T188 N194 E195 L196H159-V192 HydrophobicContact CB-CG2 4.15Å; T163-V192 HydrophobicContact CG2-CG2 3.87Å; A164-V192 HydrophobicContact CB-CB 4.33Å; A164-V192 HydrophobicContact CB-CG1 4.22Å; A164-V192 HydrophobicContact CB-CG2 4.26Å; I167-V192 HydrophobicContact CD1-CG1 3.82Å; F179-V192 HydrophobicContact CD1-CG1 4.06Å; F179-V192 HydrophobicContact CD2-CG1 4.24Å; F179-V192 HydrophobicContact CE1-CB 3.89Å; F179-V192 HydrophobicContact CE1-CG1 3.73Å; F179-V192 HydrophobicContact CE2-CG1 3.92Å; F179-V192 HydrophobicContact CG-CG1 4.3Å; F179-V192 HydrophobicContact CZ-CB 3.96Å; F179-V192 HydrophobicContact CZ-CG1 3.65Å; F179-V192 HydrophobicContact CZ-CG2 4.3Å; T188-V192 HydrophobicContact CG2-CG2 4.3Å; T188-V192 VanDerWaalsContact O-CB 3.25Å; T188-V192 WeakPolarHBondContact O-CB 3.35Å; T188-V192 VanDerWaalsContact O-CG2 3.29Å; T188-V192 WeakPolarHBondContact O-CG2 3.46Å; T188-V192 PolarHBondContact O-N 2.9Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.1Å; V192-E195 PolarHBondContact O-N 2.82Å; V192-L196 HydrophobicContact CG1-CD1 3.48Å; V192-L196 VanDerWaalsContact CG1-CD1 3.48Å; V192-L196 HydrophobicContact CG1-CG 3.78Å; V192-L196 WeakPolarHBondContact O-CB 3.38Å; V192-L196 VanDerWaalsContact O-CG 3.28Å; V192-L196 WeakPolarHBondContact O-CG 3.49Å; V192-L196 PolarHBondContact O-N 3.09Å
193G98.7Very high97.4Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-59.8-40.4178.900000113.3I189 T190 L196 K197I189-G193 VanDerWaalsContact O-CA 3.31Å; I189-G193 WeakPolarHBondContact O-CA 3.36Å; I189-G193 PolarHBondContact O-N 3.38Å; T190-G193 PolarHBondContact O-N 3.44Å; G193-L196 PolarHBondContact O-N 3.22Å; G193-K197 WeakPolarHBondContact O-CB 3.4Å; G193-K197 WeakPolarHBondContact O-CG 3.41Å; G193-K197 PolarHBondContact O-N 3.26Å
194N98.2Very high97.4Very high53 Ų5338.2 Ų38.228%0.28319%0.194SC..Hα-helixtrans-57.7-52.6177.8-76.6-14.5000111.5E160 T190 V192 R198 I242E160-N194 HydrophobicContact CG-CB 4.26Å; E160-N194 PolarHBondContact OE2-ND2 3.31Å; T190-N194 PolarHBondContact O-N 2.91Å; T190-N194 PolarHBondContact O-OD1 2.9Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.1Å; N194-R198 PolarHBondContact O-N 3.48Å; N194-I242 WeakPolarHBondContact OD1-CD1 3.25Å
195E98Very high97.6Very high21 Ų2137.6 Ų37.610%0.09819%0.188CC..Hα-helixtrans-65.5-46.7-179.7-177.866.8-153.200111.5E160 A164 V168 V192 K197 R198 M199E160-E195 HydrophobicContact CG-CB 4.2Å; A164-E195 HydrophobicContact CB-CB 3.36Å; A164-E195 HydrophobicContact CB-CG 3.51Å; V168-E195 HydrophobicContact CG2-CG 4.09Å; V192-E195 PolarHBondContact O-N 2.82Å; E195-K197 PolarHBondContact O-N 2.66Å; E195-R198 VanDerWaalsContact CD-CZ 3.45Å; E195-R198 WeakPolarHBondContact O-CB 3.12Å; E195-R198 PolarHBondContact O-N 2.88Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 IonicContact OE1-CZ 3.38Å; E195-R198 IonicContact OE1-NH1 2.88Å; E195-R198 IonicContact OE1-NH2 2.75Å; E195-R198 PolarHBondContact OE1-NH2 2.95Å; E195-R198 IonicContact OE2-CZ 3.47Å; E195-R198 IonicContact OE2-NH1 3.68Å; E195-R198 PolarHBondContact OE2-NH1 3.22Å; E195-R198 IonicContact OE2-NH2 3.65Å; E195-R198 PolarHBondContact OE2-NH2 3.09Å; E195-M199 WeakPolarHBondContact O-CG 3.41Å; E195-M199 PolarHBondContact O-N 3.16Å
196L98.1Very high97.7Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-66.3-39.4-176.3-66.5-173.8000112I167 V168 F179 V192 G193 R198 M199 Y200 I203 I205I167-L196 HydrophobicContact CB-CD2 4.46Å; I167-L196 HydrophobicContact CG2-CD2 3.82Å; V168-L196 HydrophobicContact CG2-CD2 3.9Å; F179-L196 HydrophobicContact CB-CD1 3.75Å; F179-L196 HydrophobicContact CD1-CD1 4.42Å; F179-L196 HydrophobicContact CD2-CD1 4.14Å; F179-L196 HydrophobicContact CG-CD1 3.85Å; V192-L196 HydrophobicContact CG1-CD1 3.48Å; V192-L196 VanDerWaalsContact CG1-CD1 3.48Å; V192-L196 HydrophobicContact CG1-CG 3.78Å; V192-L196 WeakPolarHBondContact O-CB 3.38Å; V192-L196 VanDerWaalsContact O-CG 3.28Å; V192-L196 WeakPolarHBondContact O-CG 3.49Å; V192-L196 PolarHBondContact O-N 3.09Å; G193-L196 PolarHBondContact O-N 3.22Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 3.1Å; L196-M199 PolarHBondContact O-N 2.85Å; L196-Y200 HydrophobicContact CD2-CD2 4.12Å; L196-Y200 HydrophobicContact CD2-CE2 3.94Å; L196-Y200 WeakPolarHBondContact O-CB 3.42Å; L196-Y200 PolarHBondContact O-N 3.11Å; L196-I203 HydrophobicContact CB-CD1 3.79Å; L196-I203 HydrophobicContact CB-CG2 4.29Å; L196-I203 HydrophobicContact CD1-CD1 3.69Å; L196-I203 HydrophobicContact CG-CD1 4.27Å; L196-I205 HydrophobicContact CB-CD1 4.38Å; L196-I205 HydrophobicContact CD1-CD1 4.46Å
197K97.2Very high97.7Very high70 Ų7038.9 Ų38.930%0.30419%0.191SC..Hα-helixtrans-66.1-29.5174.7-76.1-170.3169.7-179.30112.5G193 E195 I203 I205 I242 D244G193-K197 WeakPolarHBondContact O-CB 3.4Å; G193-K197 WeakPolarHBondContact O-CG 3.41Å; G193-K197 PolarHBondContact O-N 3.26Å; E195-K197 PolarHBondContact O-N 2.66Å; K197-I203 HydrophobicContact CG-CG2 3.93Å; K197-I205 HydrophobicContact CD-CG1 4.38Å; K197-I205 HydrophobicContact CG-CG1 4.17Å; K197-I242 HydrophobicContact CD-CD1 4.29Å; K197-I242 WeakPolarHBondContact CE-O 3.42Å; K197-I242 PolarHBondContact NZ-O 3.33Å; K197-D244 WeakPolarHBondContact CE-OD2 3.42Å; K197-D244 IonicContact NZ-OD2 3.16Å; K197-D244 PolarHBondContact NZ-OD2 3.48Å; K197-D244 VanDerWaalsContact NZ-OD2 3.16Å
198R96Very high97.7Very high153 Ų15338.9 Ų38.958%0.57719%0.191SC*.Hα-helixtrans-69.2-39.5172.8-169.6178.373.9-126.69.5112E160 N194 E195 L196E160-R198 IonicContact OE1-NH1 2.76Å; N194-R198 PolarHBondContact O-N 3.48Å; E195-R198 VanDerWaalsContact CD-CZ 3.45Å; E195-R198 WeakPolarHBondContact O-CB 3.12Å; E195-R198 PolarHBondContact O-N 2.88Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 IonicContact OE1-CZ 3.38Å; E195-R198 IonicContact OE1-NH1 2.88Å; E195-R198 IonicContact OE1-NH2 2.75Å; E195-R198 PolarHBondContact OE1-NH2 2.95Å; E195-R198 IonicContact OE2-CZ 3.47Å; E195-R198 IonicContact OE2-NH1 3.68Å; E195-R198 PolarHBondContact OE2-NH1 3.22Å; E195-R198 IonicContact OE2-NH2 3.65Å; E195-R198 PolarHBondContact OE2-NH2 3.09Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 PolarHBondContact O-N 3.1Å
199M96.4Very high97.7Very high91 Ų9138.5 Ų38.545%0.44819%0.189SC..Hα-helixtrans-85.7-32.9-175.5-66.3-54.4-58.600113.7V168 E195 L196V168-M199 HydrophobicContact CG1-CE 3.99Å; V168-M199 HydrophobicContact CG1-CG 4.13Å; V168-M199 HydrophobicContact CG2-CB 4.18Å; V168-M199 HydrophobicContact CG2-CG 3.81Å; E195-M199 WeakPolarHBondContact O-CG 3.41Å; E195-M199 PolarHBondContact O-N 3.16Å; L196-M199 PolarHBondContact O-N 2.85Å
200Y96.5Very high97.7Very high26 Ų2638.4 Ų38.410%0.10219%0.188CC..  trans-128.494.7-173.7-54.2-48.5000109.8V168 E172 L176 L196 N202 I203V168-Y200 HydrophobicContact CG2-CE2 4.46Å; E172-Y200 WeakPolarHBondContact O-CE1 3.18Å; E172-Y200 PolarHBondContact O-OH 3.45Å; L176-Y200 HydrophobicContact CB-CD2 4.23Å; L176-Y200 HydrophobicContact CB-CE2 4.3Å; L196-Y200 HydrophobicContact CD2-CD2 4.12Å; L196-Y200 HydrophobicContact CD2-CE2 3.94Å; L196-Y200 WeakPolarHBondContact O-CB 3.42Å; L196-Y200 PolarHBondContact O-N 3.11Å; Y200-N202 PolarHBondContact O-N 3.33Å; Y200-I203 HydrophobicContact CD2-CD1 4.28Å; Y200-I203 WeakPolarHBondContact O-CG2 3.39Å; Y200-I203 PolarHBondContact O-N 2.8Å
201S93Very high97.6Very high110 Ų11042.2 Ų42.277%0.76921%0.206SC*.THydrogen-bonded Turntrans-58.4-25.7-170.758.40000115.1
202N94.9Very high97.6Very high138 Ų13845.7 Ų45.774%0.73822%0.222SC*.THydrogen-bonded Turntrans-1032.6-178-63.8-22.2000113.4Y200 K204Y200-N202 PolarHBondContact O-N 3.33Å; N202-K204 PolarHBondContact O-N 3.37Å
203I98Very high97.5Very high6 Ų645.7 Ų45.73%0.03122%0.222CC..  trans-63.8137.8-177.6-162.8176.6000110.9L176 F179 L196 K197 Y200 I205L176-I203 HydrophobicContact CB-CD1 3.83Å; L176-I203 HydrophobicContact CB-CG1 4.48Å; L176-I203 WeakPolarHBondContact O-CG1 3.11Å; F179-I203 HydrophobicContact CB-CD1 4.19Å; L196-I203 HydrophobicContact CB-CD1 3.79Å; L196-I203 HydrophobicContact CB-CG2 4.29Å; L196-I203 HydrophobicContact CD1-CD1 3.69Å; L196-I203 HydrophobicContact CG-CD1 4.27Å; K197-I203 HydrophobicContact CG-CG2 3.93Å; Y200-I203 HydrophobicContact CD2-CD1 4.28Å; Y200-I203 WeakPolarHBondContact O-CG2 3.39Å; Y200-I203 PolarHBondContact O-N 2.8Å; I203-I205 HydrophobicContact CD1-CD1 4Å; I203-I205 HydrophobicContact CG1-CD1 4.19Å; I203-I205 HydrophobicContact CG2-CD1 4.09Å
204K98.4Very high97.4Very high94 Ų9447.2 Ų47.241%0.40923%0.232SC..EExtended strand (participates in β ladder)trans-101129.1172.9-63-54.2-168.4-176.40110.9D177 A178 F179 N202 Y206 D244D177-K204 PolarHBondContact O-N 2.95Å; A178-K204 CarbonylContact C-O 3.5Å; A178-K204 WeakPolarHBondContact CA-O 3.4Å; F179-K204 PolarHBondContact N-O 3.24Å; N202-K204 PolarHBondContact O-N 3.37Å; K204-Y206 HydrophobicContact CB-CD2 4.27Å; K204-Y206 HydrophobicContact CB-CE2 3.26Å; K204-Y206 WeakPolarHBondContact CB-OH 3.37Å; K204-Y206 HydrophobicContact CG-CE2 4.44Å; K204-D244 HydrophobicContact CD-CB 4.23Å; K204-D244 VanDerWaalsContact CD-OD1 3.24Å; K204-D244 WeakPolarHBondContact CD-OD1 3.25Å; K204-D244 IonicContact NZ-OD1 2.87Å; K204-D244 PolarHBondContact NZ-OD1 2.73Å
205I98.7Very high97.3Very high0 Ų045.8 Ų45.80%023%0.225CC..EExtended strand (participates in β ladder)trans-107128.9-179.4-54.2-59.7000108.5F179 I189 L196 K197 I203 Y243 D244F179-I205 HydrophobicContact CB-CD1 3.71Å; F179-I205 HydrophobicContact CD1-CD1 4.27Å; F179-I205 HydrophobicContact CD1-CG2 4.36Å; F179-I205 HydrophobicContact CG-CD1 4.45Å; I189-I205 HydrophobicContact CD1-CG2 3.95Å; I189-I205 HydrophobicContact CG1-CG2 3.69Å; L196-I205 HydrophobicContact CB-CD1 4.38Å; L196-I205 HydrophobicContact CD1-CD1 4.46Å; K197-I205 HydrophobicContact CD-CG1 4.38Å; K197-I205 HydrophobicContact CG-CG1 4.17Å; I203-I205 HydrophobicContact CD1-CD1 4Å; I203-I205 HydrophobicContact CG1-CD1 4.19Å; I203-I205 HydrophobicContact CG2-CD1 4.09Å; I205-Y243 CarbonylContact O-C 3.54Å; I205-Y243 WeakPolarHBondContact O-CA 3.35Å; I205-Y243 WeakPolarHBondContact O-CB 3.29Å; I205-D244 PolarHBondContact N-OD2 3.11Å; I205-D244 PolarHBondContact O-N 3.02Å
206Y98.7Very high97.2Very high34 Ų3446.1 Ų46.113%0.13323%0.227CC..EExtended strand (participates in β ladder)trans-122125.1-176.8-61-90.7000111.4A178 F179 V180 A181 I189 K204 K245 L247 M283A178-Y206 HydrophobicContact CB-CD2 4.19Å; A178-Y206 HydrophobicContact CB-CE2 3.86Å; F179-Y206 PolarHBondContact O-N 2.89Å; V180-Y206 HydrophobicContact CG2-CD2 4.37Å; A181-Y206 PolarHBondContact N-O 3.43Å; A181-Y206 VanDerWaalsContact N-O 3.13Å; I189-Y206 WeakPolarHBondContact CD1-O 3.29Å; K204-Y206 HydrophobicContact CB-CD2 4.27Å; K204-Y206 HydrophobicContact CB-CE2 3.26Å; K204-Y206 WeakPolarHBondContact CB-OH 3.37Å; K204-Y206 HydrophobicContact CG-CE2 4.44Å; Y206-K245 WeakPolarHBondContact CA-O 3.2Å; Y206-K245 HydrophobicContact CD1-CB 3.83Å; Y206-K245 HydrophobicContact CE1-CB 3.9Å; Y206-L247 HydrophobicContact CD1-CD1 3.89Å; Y206-L247 HydrophobicContact CD1-CD2 4.29Å; Y206-L247 HydrophobicContact CD1-CG 4.09Å; Y206-L247 HydrophobicContact CG-CD1 4.01Å; Y206-M283 HydrophobicContact CD1-CE 3.99Å; Y206-M283 HydrophobicContact CD1-SD 3.97Å; Y206-M283 HydrophobicContact CD2-CE 3.34Å; Y206-M283 HydrophobicContact CD2-SD 4.39Å; Y206-M283 HydrophobicContact CE1-CE 3.65Å; Y206-M283 HydrophobicContact CE1-SD 3.54Å; Y206-M283 VanDerWaalsContact CE1-SD 3.54Å; Y206-M283 HydrophobicContact CE2-CE 2.92Å; Y206-M283 HydrophobicContact CE2-SD 4.02Å; Y206-M283 HydrophobicContact CG-CE 3.85Å; Y206-M283 HydrophobicContact CG-SD 4.36Å; Y206-M283 VanDerWaalsContact CZ-SD 3.55Å; Y206-M283 WeakPolarHBondContact OH-CE 3.33Å
207A98.7Very high97Very high0 Ų051.4 Ų51.40%025%0.252CS..EExtended strand (participates in β ladder)trans-86.5134.7172.800000109.6V183 I189 L216 Y243 K245 V246 L247V183-A207 HydrophobicContact CG2-CB 3.68Å; I189-A207 VanDerWaalsContact CD1-CA 3.48Å; I189-A207 HydrophobicContact CD1-CB 3.73Å; A207-L216 HydrophobicContact CB-CD1 4.21Å; A207-Y243 HydrophobicContact CB-CD1 3.79Å; A207-Y243 HydrophobicContact CB-CD2 4.08Å; A207-Y243 HydrophobicContact CB-CE1 4.19Å; A207-Y243 HydrophobicContact CB-CE2 4.47Å; A207-Y243 HydrophobicContact CB-CG 3.73Å; A207-K245 PolarHBondContact N-O 3.45Å; A207-V246 HydrophobicContact CB-CG2 4.22Å; A207-V246 CarbonylContact O-C 3.42Å; A207-V246 WeakPolarHBondContact O-CA 3.5Å; A207-L247 PolarHBondContact O-N 3.4Å
208V98.8Very high96.9Very high0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-109.2131.2172.6174.50000109.6V180 A181 G182 V183 I229 L247 V249 A275 A279V180-V208 HydrophobicContact CG1-CG2 3.58Å; A181-V208 PolarHBondContact O-N 3.25Å; G182-V208 WeakPolarHBondContact CA-O 3.27Å; V183-V208 PolarHBondContact N-O 2.85Å; V208-I229 HydrophobicContact CG1-CD1 4.3Å; V208-L247 WeakPolarHBondContact CA-O 3.33Å; V208-L247 HydrophobicContact CG2-CB 4.24Å; V208-V249 HydrophobicContact CG1-CB 4.37Å; V208-V249 HydrophobicContact CG1-CG2 3.79Å; V208-A275 HydrophobicContact CG1-CB 4.02Å; V208-A279 HydrophobicContact CG2-CB 3.49Å; V208-A279 VanDerWaalsContact CG2-CB 3.49Å
209E98.2Very high96.8Very high3 Ų346 Ų461%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-133.616217474.9177.7163.800111.4E211 P214 V215 L216 E217 V246 L247 P248 V249E209-E211 PolarHBondContact O-N 3.48Å; E209-P214 VanDerWaalsContact CD-CA 3.44Å; E209-P214 VanDerWaalsContact OE1-CA 3.26Å; E209-P214 WeakPolarHBondContact OE1-CA 3.47Å; E209-V215 PolarHBondContact OE2-N 2.87Å; E209-V215 VanDerWaalsContact OE2-N 3.12Å; E209-L216 HydrophobicContact CB-CD1 4.32Å; E209-L216 VanDerWaalsContact OE2-CB 3.24Å; E209-L216 WeakPolarHBondContact OE2-CB 3.46Å; E209-L216 VanDerWaalsContact OE2-CG 3.25Å; E209-L216 WeakPolarHBondContact OE2-CG 3.32Å; E209-L216 PolarHBondContact OE2-N 2.67Å; E209-E217 WeakPolarHBondContact OE1-CG 3.32Å; E209-E217 PolarHBondContact OE1-N 3.37Å; E209-E217 VanDerWaalsContact OE1-N 3.15Å; E209-V246 HydrophobicContact CB-CG1 4.41Å; E209-V246 HydrophobicContact CG-CG1 3.63Å; E209-V246 WeakPolarHBondContact OE1-CG1 3.48Å; E209-L247 PolarHBondContact N-O 3Å; E209-P248 WeakPolarHBondContact O-CA 3.27Å; E209-V249 PolarHBondContact O-N 3Å
210P98.5Very high96.7Very high0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-66.5130.2172.4-13.929.2000110.8E212 S213 H224 I226 I229 V249P210-E212 PolarHBondContact O-N 3.41Å; P210-S213 CarbonylContact O-C 3.21Å; P210-S213 VanDerWaalsContact O-C 3.24Å; P210-S213 PolarHBondContact O-N 3.45Å; P210-H224 HydrophobicContact CB-CB 3.72Å; P210-H224 HydrophobicContact CG-CB 4.28Å; P210-H224 WeakPolarHBondContact CG-ND1 3.33Å; P210-I226 HydrophobicContact CB-CD1 4.06Å; P210-I226 HydrophobicContact CG-CB 4.37Å; P210-I226 HydrophobicContact CG-CD1 4.4Å; P210-I229 HydrophobicContact CG-CD1 4.31Å; P210-I229 HydrophobicContact CG-CG1 4.09Å; P210-V249 WeakPolarHBondContact CA-O 3.44Å
211E98.1Very high96.5Very high88 Ų8852.1 Ų52.141%0.41130%0.3SS..THydrogen-bonded Turntrans-59-32.2174.1-172.7-17992.800111.2E209 S213 P214 P248 V249 K250E209-E211 PolarHBondContact O-N 3.48Å; E211-S213 PolarHBondContact O-N 3.16Å; E211-P214 WeakPolarHBondContact O-CD 3.39Å; E211-P248 HydrophobicContact CB-CB 3.94Å; E211-P248 HydrophobicContact CG-CB 4.13Å; E211-V249 PolarHBondContact N-O 2.97Å; E211-K250 HydrophobicContact CB-CG 4.17Å; E211-K250 HydrophobicContact CG-CG 4.48Å; E211-K250 WeakPolarHBondContact OE1-CE 3.23Å; E211-K250 VanDerWaalsContact OE1-CG 3.23Å; E211-K250 WeakPolarHBondContact OE1-CG 3.38Å
212E97.8Very high96.4Very high72 Ų7247.9 Ų47.934%0.33627%0.274SS..THydrogen-bonded Turntrans-75.9-6.8178.5-50.892.6160.400113.7P210 G222 H224 S251P210-E212 PolarHBondContact O-N 3.41Å; E212-G222 WeakPolarHBondContact O-CA 3.48Å; E212-H224 HydrophobicContact CB-CB 4.1Å; E212-S251 VanDerWaalsContact CD-OG 3.32Å; E212-S251 WeakPolarHBondContact OE1-CB 3.4Å; E212-S251 PolarHBondContact OE1-N 2.93Å; E212-S251 PolarHBondContact OE1-OG 3.35Å; E212-S251 VanDerWaalsContact OE1-OG 3.09Å; E212-S251 PolarHBondContact OE2-N 3.3Å; E212-S251 PolarHBondContact OE2-OG 3.45Å; E212-S251 VanDerWaalsContact OE2-OG 3.04Å
213S96.3Very high96.3Very high1 Ų147.4 Ų47.41%0.00728%0.278CS..SBendtrans-144.966.1178.7-164.70000111.5P210 E211 V215 S221 G222P210-S213 CarbonylContact O-C 3.21Å; P210-S213 VanDerWaalsContact O-C 3.24Å; P210-S213 PolarHBondContact O-N 3.45Å; E211-S213 PolarHBondContact O-N 3.16Å; S213-V215 VanDerWaalsContact C-N 3.25Å; S213-V215 PolarHBondContact O-N 3.3Å; S213-S221 WeakPolarHBondContact OG-CA 3.31Å; S213-G222 WeakPolarHBondContact CB-O 3.33Å; S213-G222 PolarHBondContact OG-N 3.29Å; S213-G222 PolarHBondContact OG-O 2.87Å
214P96.7Very high96.1Very high31 Ų3149.6 Ų49.620%0.20129%0.288CS..  trans-8458.6-167.335.2-36.3000112.7E209 E211 E217 G218 G219E209-P214 VanDerWaalsContact CD-CA 3.44Å; E209-P214 VanDerWaalsContact OE1-CA 3.26Å; E209-P214 WeakPolarHBondContact OE1-CA 3.47Å; E211-P214 WeakPolarHBondContact O-CD 3.39Å; P214-E217 HydrophobicContact CB-CB 4.41Å; P214-E217 PolarHBondContact O-N 3.44Å; P214-G218 PolarHBondContact O-N 3.14Å; P214-G219 WeakPolarHBondContact O-CA 3.29Å; P214-G219 PolarHBondContact O-N 3.48Å
215V96.3Very high95.9Very high24 Ų2449.6 Ų49.615%0.14529%0.288CS..THydrogen-bonded Turntrans-69.1-34.6-173.7175.30000112E209 S213 E217 G218 V234E209-V215 PolarHBondContact OE2-N 2.87Å; E209-V215 VanDerWaalsContact OE2-N 3.12Å; S213-V215 VanDerWaalsContact C-N 3.25Å; S213-V215 PolarHBondContact O-N 3.3Å; V215-E217 VanDerWaalsContact C-N 3.33Å; V215-G218 PolarHBondContact O-N 2.82Å; V215-G218 VanDerWaalsContact O-N 3.12Å; V215-V234 HydrophobicContact CG1-CG2 4.04Å
216L95.7Very high95.7Very high28 Ų2849.6 Ų49.615%0.14729%0.288CS..THydrogen-bonded Turntrans-71.5-30.6178.6-56.5-178.3000111.9V183 A207 E209 G218 V234 L238 V246V183-L216 HydrophobicContact CB-CD1 3.72Å; V183-L216 HydrophobicContact CG1-CD1 3.85Å; V183-L216 HydrophobicContact CG1-CD2 4.44Å; V183-L216 HydrophobicContact CG2-CD1 3.75Å; A207-L216 HydrophobicContact CB-CD1 4.21Å; E209-L216 HydrophobicContact CB-CD1 4.32Å; E209-L216 VanDerWaalsContact OE2-CB 3.24Å; E209-L216 WeakPolarHBondContact OE2-CB 3.46Å; E209-L216 VanDerWaalsContact OE2-CG 3.25Å; E209-L216 WeakPolarHBondContact OE2-CG 3.32Å; E209-L216 PolarHBondContact OE2-N 2.67Å; L216-G218 PolarHBondContact O-N 3.02Å; L216-V234 HydrophobicContact CD2-CG2 4.36Å; L216-L238 HydrophobicContact CD2-CD2 3.58Å; L216-V246 HydrophobicContact CB-CG1 4.25Å; L216-V246 HydrophobicContact CB-CG2 3.91Å
217E94.7Very high95.4Very high110 Ų11050.9 Ų50.951%0.51430%0.295SS..THydrogen-bonded Turntrans-78.31.9170.4-69.6-172.1118.500113.5E209 P214 V215 V246E209-E217 WeakPolarHBondContact OE1-CG 3.32Å; E209-E217 PolarHBondContact OE1-N 3.37Å; E209-E217 VanDerWaalsContact OE1-N 3.15Å; P214-E217 HydrophobicContact CB-CB 4.41Å; P214-E217 PolarHBondContact O-N 3.44Å; V215-E217 VanDerWaalsContact C-N 3.33Å; E217-V246 HydrophobicContact CG-CB 3.75Å; E217-V246 HydrophobicContact CG-CG1 3.85Å; E217-V246 HydrophobicContact CG-CG2 4.28Å
218G93.9Very high95.1Very high71 Ų7153.5 Ų53.573%0.73232%0.322SS*.THydrogen-bonded Turntrans84.611.117800000114.7P214 V215 L216P214-G218 PolarHBondContact O-N 3.14Å; V215-G218 PolarHBondContact O-N 2.82Å; V215-G218 VanDerWaalsContact O-N 3.12Å; L216-G218 PolarHBondContact O-N 3.02Å
219G95Very high95Very high38 Ų3854.1 Ų54.139%0.39233%0.325SS..  trans-79.4-173.8172.500000113.5P214P214-G219 WeakPolarHBondContact O-CA 3.29Å; P214-G219 PolarHBondContact O-N 3.48Å
220Q93.7Very high94.7Very high175 Ų17554.7 Ų54.782%0.81833%0.332SS*.  trans-88.5141.7178.7-66.5-174.3-1.800111.2
221S92.5Very high94.3Very high71 Ų7156.6 Ų56.650%0.49735%0.348SS..  trans-60.8137169.3179.70000110.4S213 G232S213-S221 WeakPolarHBondContact OG-CA 3.31Å; S221-G232 VanDerWaalsContact OG-CA 3.23Å; S221-G232 WeakPolarHBondContact OG-CA 3.2Å
222G91.3Very high94Very high22 Ų2253.7 Ų53.723%0.22734%0.342CS..  trans-143.1165.7-178.800000112.6E212 S213 H224E212-G222 WeakPolarHBondContact O-CA 3.48Å; S213-G222 WeakPolarHBondContact CB-O 3.33Å; S213-G222 PolarHBondContact OG-N 3.29Å; S213-G222 PolarHBondContact OG-O 2.87Å; G222-H224 PolarHBondContact O-CD2 2.96Å
223P92Very high93.8Very high127 Ų12754.9 Ų54.983%0.82535%0.346SS*.  trans-68.4132.3175.529.1-33.4000110.8
224H94.4Very high93.8Very high53 Ų5358.2 Ų58.225%0.24537%0.366CS..  trans-142.7164.3176.464.489.7000110.5P210 E212 G222 I226 I229 G230P210-H224 HydrophobicContact CB-CB 3.72Å; P210-H224 HydrophobicContact CG-CB 4.28Å; P210-H224 WeakPolarHBondContact CG-ND1 3.33Å; E212-H224 HydrophobicContact CB-CB 4.1Å; G222-H224 PolarHBondContact O-CD2 2.96Å; H224-I226 PolarHBondContact CE1-O 3.38Å; H224-I226 PolarHBondContact ND1-N 3.33Å; H224-I226 PolarHBondContact ND1-O 2.81Å; H224-I229 PolarHBondContact CE1-O 3.35Å; H224-G230 PolarHBondContact NE2-O 3.3Å
225K93.7Very high93.7Very high93 Ų9357 Ų5740%0.40436%0.358SS..SBendtrans-100.8-5.2-179-52.2-177.9175.4-174.40113.7Q227 S251 M255 I271 E308K225-Q227 PolarHBondContact O-N 3.38Å; K225-S251 PolarHBondContact N-OG 3.41Å; K225-M255 HydrophobicContact CD-CE 4.07Å; K225-I271 WeakPolarHBondContact O-CD1 3.25Å; K225-E308 IonicContact NZ-OE1 3.4Å; K225-E308 PolarHBondContact NZ-OE1 2.84Å; K225-E308 IonicContact NZ-OE2 2.66Å; K225-E308 PolarHBondContact NZ-OE2 3.43Å
226I95.3Very high93.8Very high0 Ų059.7 Ų59.70%038%0.379CS..  trans-77.486.6179.9-44.8179.8000111.1P210 H224 I229 V249 A254 I271 A275P210-I226 HydrophobicContact CB-CD1 4.06Å; P210-I226 HydrophobicContact CG-CB 4.37Å; P210-I226 HydrophobicContact CG-CD1 4.4Å; H224-I226 PolarHBondContact CE1-O 3.38Å; H224-I226 PolarHBondContact ND1-N 3.33Å; H224-I226 PolarHBondContact ND1-O 2.81Å; I226-I229 HydrophobicContact CB-CD1 4.35Å; I226-I229 HydrophobicContact CB-CG1 4.15Å; I226-I229 HydrophobicContact CG2-CD1 3.62Å; I226-I229 HydrophobicContact CG2-CG1 3.61Å; I226-V249 WeakPolarHBondContact CD1-O 3.42Å; I226-A254 HydrophobicContact CD1-CB 3.82Å; I226-A254 HydrophobicContact CG1-CB 3.97Å; I226-I271 HydrophobicContact CB-CG2 4.32Å; I226-I271 HydrophobicContact CG1-CG2 4.37Å; I226-I271 HydrophobicContact CG2-CG2 4.09Å; I226-A275 HydrophobicContact CD1-CB 4Å; I226-A275 HydrophobicContact CG2-CB 3.89Å
227Q92Very high93.9Very high62 Ų6259.3 Ų59.329%0.2938%0.376SS..THydrogen-bonded Turntrans-65.7138.5179.1-58.9-176.930.600111.6K225 I271 S272 Y304K225-Q227 PolarHBondContact O-N 3.38Å; Q227-I271 HydrophobicContact CG-CD1 4.35Å; Q227-S272 WeakPolarHBondContact O-CB 3.43Å; Q227-Y304 HydrophobicContact CB-CE1 4.2Å
228G92.1Very high94.1Very high55 Ų5554.6 Ų54.657%0.56736%0.355SS*.THydrogen-bonded Turntrans100.6-12.2175.200000115.4G184G184-G228 WeakPolarHBondContact CA-O 3.3Å
229I96.1Very high94.3Very high12 Ų1254.1 Ų54.16%0.06234%0.335CS..SBendtrans-131.6172.6174.267.4172.3000110.2V183 V208 P210 H224 I226 A275V183-I229 WeakPolarHBondContact O-CA 3.38Å; V183-I229 WeakPolarHBondContact O-CB 3.48Å; V208-I229 HydrophobicContact CG1-CD1 4.3Å; P210-I229 HydrophobicContact CG-CD1 4.31Å; P210-I229 HydrophobicContact CG-CG1 4.09Å; H224-I229 PolarHBondContact CE1-O 3.35Å; I226-I229 HydrophobicContact CB-CD1 4.35Å; I226-I229 HydrophobicContact CB-CG1 4.15Å; I226-I229 HydrophobicContact CG2-CD1 3.62Å; I226-I229 HydrophobicContact CG2-CG1 3.61Å; I229-A275 HydrophobicContact CD1-CB 4.31Å
230G93.7Very high94.4Very high15 Ų1556.4 Ų56.416%0.15534%0.337CS..  trans70.757.7177.200000112.6V183 H224 G232V183-G230 PolarHBondContact O-N 2.95Å; H224-G230 PolarHBondContact NE2-O 3.3Å; G230-G232 PolarHBondContact O-N 3.44Å
231A90Very high94.6Very high40 Ų4054.4 Ų54.433%0.33133%0.333SS..  trans-62.4-8.9-175.800000114.8F150 F233F150-A231 HydrophobicContact CE1-CB 3.84Å; F150-A231 HydrophobicContact CZ-CB 4.34Å; A231-F233 VanDerWaalsContact C-N 3.28Å; A231-F233 HydrophobicContact CB-CD1 4.16Å; A231-F233 HydrophobicContact CB-CE1 3.82Å; A231-F233 HydrophobicContact CB-CZ 4.04Å; A231-F233 WeakPolarHBondContact O-CD1 3.45Å; A231-F233 WeakPolarHBondContact O-CE1 3.27Å
232G90.6Very high94.9Very high28 Ų2851.4 Ų51.429%0.28931%0.311SS..SBendtrans81.35.1-177.300000114.4S221 G230S221-G232 VanDerWaalsContact OG-CA 3.23Å; S221-G232 WeakPolarHBondContact OG-CA 3.2Å; G230-G232 PolarHBondContact O-N 3.44Å
233F94Very high95.2Very high96 Ų9651.9 Ų51.942%0.42131%0.306SS..SBendtrans-153.7167174.560-87.9000109.1F150 A231 P235F150-F233 HydrophobicContact CB-CE2 4.32Å; F150-F233 HydrophobicContact CB-CZ 4.47Å; F150-F233 AromaticContact CD1-CE2 3.92Å; F150-F233 HydrophobicContact CD1-CE2 3.92Å; F150-F233 AromaticContact CD1-CZ 3.74Å; F150-F233 HydrophobicContact CD1-CZ 3.74Å; F150-F233 HydrophobicContact CD2-CZ 4.21Å; F150-F233 HydrophobicContact CE1-CE2 4.45Å; F150-F233 AromaticContact CE1-CZ 3.93Å; F150-F233 HydrophobicContact CE1-CZ 3.93Å; F150-F233 HydrophobicContact CE2-CZ 4.38Å; F150-F233 HydrophobicContact CG-CE2 4.14Å; F150-F233 AromaticContact CG-CZ 3.89Å; F150-F233 HydrophobicContact CG-CZ 3.89Å; F150-F233 HydrophobicContact CZ-CZ 4.25Å; A231-F233 VanDerWaalsContact C-N 3.28Å; A231-F233 HydrophobicContact CB-CD1 4.16Å; A231-F233 HydrophobicContact CB-CE1 3.82Å; A231-F233 HydrophobicContact CB-CZ 4.04Å; A231-F233 WeakPolarHBondContact O-CD1 3.45Å; A231-F233 WeakPolarHBondContact O-CE1 3.27Å; F233-P235 HydrophobicContact CE2-CB 4.49Å; F233-P235 HydrophobicContact CE2-CG 4.32Å; F233-P235 WeakPolarHBondContact O-CD 3.38Å
234V95.8Very high95.5Very high72 Ų7249 Ų4944%0.43628%0.283SS..  trans-87113.8173.2-177.20000108.8V215 L216 L238 I240V215-V234 HydrophobicContact CG1-CG2 4.04Å; L216-V234 HydrophobicContact CD2-CG2 4.36Å; V234-L238 HydrophobicContact CG1-CD2 4.22Å; V234-I240 HydrophobicContact CG1-CG2 3.87Å
235P96.1Very high95.7Very high4 Ų452.3 Ų52.33%0.02630%0.297CS..  trans-62.2144178.8-24.336.4000112.3F150 G184 T185 F233 I237 L238F150-P235 HydrophobicContact CB-CB 4.47Å; F150-P235 HydrophobicContact CD1-CB 4Å; F150-P235 HydrophobicContact CD1-CG 3.9Å; F150-P235 HydrophobicContact CE1-CG 4.43Å; G184-P235 WeakPolarHBondContact O-CG 3.37Å; T185-P235 WeakPolarHBondContact O-CB 3.27Å; T185-P235 WeakPolarHBondContact O-CG 3.01Å; F233-P235 HydrophobicContact CE2-CB 4.49Å; F233-P235 HydrophobicContact CE2-CG 4.32Å; F233-P235 WeakPolarHBondContact O-CD 3.38Å; P235-I237 VanDerWaalsContact C-N 3.27Å; P235-I237 HydrophobicContact CB-CG1 4.45Å; P235-I237 PolarHBondContact O-N 2.72Å; P235-L238 HydrophobicContact CB-CB 4.3Å; P235-L238 WeakPolarHBondContact O-CB 3.37Å; P235-L238 PolarHBondContact O-N 3.09Å
236S97.5Very high95.9Very high82 Ų8248.4 Ų48.457%0.57328%0.281SS*.THydrogen-bonded Turntrans-67.6-28.3-176.669.60000113.1F150 D151 L238F150-S236 PolarHBondContact O-N 3.27Å; F150-S236 PolarHBondContact O-OG 3.02Å; D151-S236 WeakPolarHBondContact CA-OG 3.39Å; D151-S236 WeakPolarHBondContact OD1-CB 3.12Å; D151-S236 PolarHBondContact OD1-OG 3.22Å; S236-L238 VanDerWaalsContact C-N 3.31Å
237I98.1Very high96Very high19 Ų1949.5 Ų49.510%0.09729%0.287CS..THydrogen-bonded Turntrans-81.3-3.7174.559.1121.8000114.2F150 D151 N155 P156 T185 G187 T190 P235 N239F150-I237 WeakPolarHBondContact O-CG1 3.48Å; F150-I237 PolarHBondContact O-N 2.57Å; D151-I237 WeakPolarHBondContact O-CG2 3.32Å; N155-I237 HydrophobicContact CB-CD1 4.12Å; P156-I237 HydrophobicContact CG-CB 4.35Å; T185-I237 WeakPolarHBondContact O-CD1 3.49Å; T185-I237 WeakPolarHBondContact O-CG1 3.45Å; G187-I237 VanDerWaalsContact CA-CD1 3.44Å; G187-I237 VanDerWaalsContact N-CD1 3.32Å; T190-I237 PolarHBondContact OG1-O 2.97Å; T190-I237 VanDerWaalsContact OG1-O 3.13Å; P235-I237 VanDerWaalsContact C-N 3.27Å; P235-I237 HydrophobicContact CB-CG1 4.45Å; P235-I237 PolarHBondContact O-N 2.72Å; I237-N239 PolarHBondContact O-N 2.96Å
238L98.5Very high96.3Very high12 Ų1248.7 Ų48.76%0.06329%0.287CS..  trans-78.2114.9173.5178.460.6000109.6V183 I189 T190 L216 V234 P235 S236 I240 Y243V183-L238 HydrophobicContact CG1-CD1 4.32Å; V183-L238 HydrophobicContact CG1-CD2 3.82Å; I189-L238 HydrophobicContact CG2-CD1 3.57Å; T190-L238 WeakPolarHBondContact OG1-CA 3.48Å; L216-L238 HydrophobicContact CD2-CD2 3.58Å; V234-L238 HydrophobicContact CG1-CD2 4.22Å; P235-L238 HydrophobicContact CB-CB 4.3Å; P235-L238 WeakPolarHBondContact O-CB 3.37Å; P235-L238 PolarHBondContact O-N 3.09Å; S236-L238 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CD2-CG2 4.26Å; L238-I240 HydrophobicContact CG-CG2 4.23Å; L238-I240 PolarHBondContact O-N 3.03Å; L238-I240 VanDerWaalsContact O-N 3.14Å; L238-Y243 HydrophobicContact CD1-CE1 4.16Å; L238-Y243 HydrophobicContact CD2-CE1 4.3Å; L238-Y243 HydrophobicContact CG-CE1 4.42Å
239N98.3Very high96.7Very high60 Ų6046.2 Ų46.232%0.32126%0.261SS..  trans-77.897.4167.2177.66.1000108.7T190 I237 N241 I242T190-N239 HydrophobicContact CG2-CB 3.78Å; T190-N239 PolarHBondContact OG1-N 2.95Å; I237-N239 PolarHBondContact O-N 2.96Å; N239-N241 PolarHBondContact O-N 3.25Å; N239-N241 VanDerWaalsContact O-N 3.13Å; N239-N241 PolarHBondContact OD1-N 3.37Å; N239-N241 VanDerWaalsContact OD1-N 3.14Å; N239-I242 HydrophobicContact CB-CB 4.05Å; N239-I242 HydrophobicContact CB-CG2 4.45Å; N239-I242 VanDerWaalsContact O-CB 3.26Å; N239-I242 WeakPolarHBondContact O-CB 3.45Å; N239-I242 WeakPolarHBondContact O-CG2 3.36Å; N239-I242 PolarHBondContact O-N 3.4Å
240I97.4Very high96.8Very high86 Ų8650.1 Ų50.144%0.44128%0.278SS..THydrogen-bonded Turntrans-61.7-21.5-178.562170.5000113.9V234 L238 I242 Y243V234-I240 HydrophobicContact CG1-CG2 3.87Å; L238-I240 HydrophobicContact CD2-CG2 4.26Å; L238-I240 HydrophobicContact CG-CG2 4.23Å; L238-I240 PolarHBondContact O-N 3.03Å; L238-I240 VanDerWaalsContact O-N 3.14Å; I240-I242 VanDerWaalsContact C-N 3.26Å; I240-I242 PolarHBondContact O-N 3.29Å; I240-Y243 HydrophobicContact CB-CE1 4.48Å
241N97.8Very high97Very high134 Ų13449.6 Ų49.672%0.71727%0.272SS*.THydrogen-bonded Turntrans-84.2-2.2176.9-60.2-48000112.5N239N239-N241 PolarHBondContact O-N 3.25Å; N239-N241 VanDerWaalsContact O-N 3.13Å; N239-N241 PolarHBondContact OD1-N 3.37Å; N239-N241 VanDerWaalsContact OD1-N 3.14Å
242I98.2Very high97.3Very high8 Ų852.7 Ų52.74%0.04128%0.282CS..SBendtrans-76.1-32-177.4-156.757.3000112.7I189 N194 K197 N239 I240I189-I242 HydrophobicContact CG1-CG2 4.36Å; N194-I242 WeakPolarHBondContact OD1-CD1 3.25Å; K197-I242 HydrophobicContact CD-CD1 4.29Å; K197-I242 WeakPolarHBondContact CE-O 3.42Å; K197-I242 PolarHBondContact NZ-O 3.33Å; N239-I242 HydrophobicContact CB-CB 4.05Å; N239-I242 HydrophobicContact CB-CG2 4.45Å; N239-I242 VanDerWaalsContact O-CB 3.26Å; N239-I242 WeakPolarHBondContact O-CB 3.45Å; N239-I242 WeakPolarHBondContact O-CG2 3.36Å; N239-I242 PolarHBondContact O-N 3.4Å; I240-I242 VanDerWaalsContact C-N 3.26Å; I240-I242 PolarHBondContact O-N 3.29Å
243Y98.3Very high97.7Very high31 Ų3153.5 Ų53.512%0.12228%0.28CS..  trans-96.5145.1179.353.8-101.2000111.3I189 I205 A207 L238 I240 V246I189-Y243 HydrophobicContact CD1-CD1 4.27Å; I205-Y243 CarbonylContact O-C 3.54Å; I205-Y243 WeakPolarHBondContact O-CA 3.35Å; I205-Y243 WeakPolarHBondContact O-CB 3.29Å; A207-Y243 HydrophobicContact CB-CD1 3.79Å; A207-Y243 HydrophobicContact CB-CD2 4.08Å; A207-Y243 HydrophobicContact CB-CE1 4.19Å; A207-Y243 HydrophobicContact CB-CE2 4.47Å; A207-Y243 HydrophobicContact CB-CG 3.73Å; L238-Y243 HydrophobicContact CD1-CE1 4.16Å; L238-Y243 HydrophobicContact CD2-CE1 4.3Å; L238-Y243 HydrophobicContact CG-CE1 4.42Å; I240-Y243 HydrophobicContact CB-CE1 4.48Å; Y243-V246 HydrophobicContact CD2-CG2 4.02Å; Y243-V246 HydrophobicContact CE2-CG2 3.49Å; Y243-V246 VanDerWaalsContact CE2-CG2 3.49Å
244D98.2Very high97.9Very high66 Ų6648.9 Ų48.935%0.35326%0.26SS..SBendtrans-82.8-28.8179.6-66.5-108.9000111.6K197 K204 I205K197-D244 WeakPolarHBondContact CE-OD2 3.42Å; K197-D244 IonicContact NZ-OD2 3.16Å; K197-D244 PolarHBondContact NZ-OD2 3.48Å; K197-D244 VanDerWaalsContact NZ-OD2 3.16Å; K204-D244 HydrophobicContact CD-CB 4.23Å; K204-D244 VanDerWaalsContact CD-OD1 3.24Å; K204-D244 WeakPolarHBondContact CD-OD1 3.25Å; K204-D244 IonicContact NZ-OD1 2.87Å; K204-D244 PolarHBondContact NZ-OD1 2.73Å; I205-D244 PolarHBondContact N-OD2 3.11Å; I205-D244 PolarHBondContact O-N 3.02Å
245K97.9Very high98Very high123 Ų12345.8 Ų45.854%0.53524%0.241SC..EExtended strand (participates in β ladder)trans-157.8147.7-179.6179.1167.8-175.8179.20111.7Y206 A207 L247Y206-K245 WeakPolarHBondContact CA-O 3.2Å; Y206-K245 HydrophobicContact CD1-CB 3.83Å; Y206-K245 HydrophobicContact CE1-CB 3.9Å; A207-K245 PolarHBondContact N-O 3.45Å; K245-L247 HydrophobicContact CD-CD2 4.13Å; K245-L247 HydrophobicContact CG-CD2 4.17Å
246V98.5Very high98.1Very high11 Ų1151.3 Ų51.37%0.06727%0.266CS..EExtended strand (participates in β ladder)trans-91.8137.7166.6-174.60000109.4A207 E209 L216 E217 Y243A207-V246 HydrophobicContact CB-CG2 4.22Å; A207-V246 CarbonylContact O-C 3.42Å; A207-V246 WeakPolarHBondContact O-CA 3.5Å; E209-V246 HydrophobicContact CB-CG1 4.41Å; E209-V246 HydrophobicContact CG-CG1 3.63Å; E209-V246 WeakPolarHBondContact OE1-CG1 3.48Å; L216-V246 HydrophobicContact CB-CG1 4.25Å; L216-V246 HydrophobicContact CB-CG2 3.91Å; E217-V246 HydrophobicContact CG-CB 3.75Å; E217-V246 HydrophobicContact CG-CG1 3.85Å; E217-V246 HydrophobicContact CG-CG2 4.28Å; Y243-V246 HydrophobicContact CD2-CG2 4.02Å; Y243-V246 HydrophobicContact CE2-CG2 3.49Å; Y243-V246 VanDerWaalsContact CE2-CG2 3.49Å
247L98.2Very high98.1Very high23 Ų2347.7 Ų47.712%0.1224%0.241CC..EExtended strand (participates in β ladder)trans-11798.7178.4-60178.6000108Y206 A207 V208 E209 K245 A279 M283Y206-L247 HydrophobicContact CD1-CD1 3.89Å; Y206-L247 HydrophobicContact CD1-CD2 4.29Å; Y206-L247 HydrophobicContact CD1-CG 4.09Å; Y206-L247 HydrophobicContact CG-CD1 4.01Å; A207-L247 PolarHBondContact O-N 3.4Å; V208-L247 WeakPolarHBondContact CA-O 3.33Å; V208-L247 HydrophobicContact CG2-CB 4.24Å; E209-L247 PolarHBondContact N-O 3Å; K245-L247 HydrophobicContact CD-CD2 4.13Å; K245-L247 HydrophobicContact CG-CD2 4.17Å; L247-A279 HydrophobicContact CB-CB 4Å; L247-A279 HydrophobicContact CD1-CB 3.83Å; L247-M283 HydrophobicContact CD1-CG 3.67Å; L247-M283 HydrophobicContact CD1-SD 4.32Å
248P98.2Very high98.1Very high46 Ų4646.8 Ų46.830%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-68.7138174.728.2-34.1000109.9E209 E211E209-P248 WeakPolarHBondContact O-CA 3.27Å; E211-P248 HydrophobicContact CB-CB 3.94Å; E211-P248 HydrophobicContact CG-CB 4.13Å
249V98.7Very high98.1Very high2 Ų250.1 Ų50.11%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-131.2130.9179.1179.90000109.9V208 E209 P210 E211 I226 D253 A254 A275 F278 A279V208-V249 HydrophobicContact CG1-CB 4.37Å; V208-V249 HydrophobicContact CG1-CG2 3.79Å; E209-V249 PolarHBondContact O-N 3Å; P210-V249 WeakPolarHBondContact CA-O 3.44Å; E211-V249 PolarHBondContact N-O 2.97Å; I226-V249 WeakPolarHBondContact CD1-O 3.42Å; V249-D253 HydrophobicContact CG1-CB 4.21Å; V249-A254 HydrophobicContact CG1-CB 4.2Å; V249-A275 HydrophobicContact CB-CB 4.32Å; V249-A275 HydrophobicContact CG1-CB 4.14Å; V249-F278 HydrophobicContact CB-CD1 4.4Å; V249-F278 HydrophobicContact CG1-CB 4.3Å; V249-F278 HydrophobicContact CG1-CD1 3.64Å; V249-F278 HydrophobicContact CG1-CE1 4.32Å; V249-F278 HydrophobicContact CG1-CG 4.2Å; V249-F278 HydrophobicContact CG2-CD1 3.96Å; V249-A279 HydrophobicContact CG2-CB 3.91Å
250K98.5Very high98.1Very high95 Ų9550.3 Ų50.341%0.41325%0.247SC..  trans-67.9146.2174.9-64.7172.3-179.6168.60110.7E211 N252 D253 A254E211-K250 HydrophobicContact CB-CG 4.17Å; E211-K250 HydrophobicContact CG-CG 4.48Å; E211-K250 WeakPolarHBondContact OE1-CE 3.23Å; E211-K250 VanDerWaalsContact OE1-CG 3.23Å; E211-K250 WeakPolarHBondContact OE1-CG 3.38Å; K250-N252 PolarHBondContact O-N 3.49Å; K250-D253 HydrophobicContact CB-CB 4.42Å; K250-D253 WeakPolarHBondContact CB-OD2 3.43Å; K250-D253 PolarHBondContact O-N 2.97Å; K250-A254 PolarHBondContact O-N 3.26Å
251S98.1Very high98.1Very high4 Ų446.2 Ų46.23%0.02823%0.226CC..Hα-helixtrans-56.3-36.9177.5-69.70000112.9E212 K225 M255E212-S251 VanDerWaalsContact CD-OG 3.32Å; E212-S251 WeakPolarHBondContact OE1-CB 3.4Å; E212-S251 PolarHBondContact OE1-N 2.93Å; E212-S251 PolarHBondContact OE1-OG 3.35Å; E212-S251 VanDerWaalsContact OE1-OG 3.09Å; E212-S251 PolarHBondContact OE2-N 3.3Å; E212-S251 PolarHBondContact OE2-OG 3.45Å; E212-S251 VanDerWaalsContact OE2-OG 3.04Å; K225-S251 PolarHBondContact N-OG 3.41Å; S251-M255 WeakPolarHBondContact O-CE 3.39Å; S251-M255 WeakPolarHBondContact O-CG 3.19Å; S251-M255 PolarHBondContact O-N 2.62Å; S251-M255 VanDerWaalsContact O-N 3.13Å
252N97.5Very high98.1Very high104 Ų10441.1 Ų41.156%0.55620%0.203SC*.Hα-helixtrans-69.2-44.9178.6-71.9-14.5000112.4K250 A254 M255 E256K250-N252 PolarHBondContact O-N 3.49Å; N252-A254 VanDerWaalsContact C-N 3.29Å; N252-A254 PolarHBondContact O-N 3.39Å; N252-M255 PolarHBondContact O-N 2.92Å; N252-M255 WeakPolarHBondContact OD1-CE 3.35Å; N252-E256 WeakPolarHBondContact O-CB 3.3Å; N252-E256 PolarHBondContact O-N 2.85Å
253D98.6Very high98.1Very high45 Ų4549.8 Ų49.824%0.24124%0.24CC..Hα-helixtrans-62-39.6178.1-64.4-29000111V249 K250 T257 F278V249-D253 HydrophobicContact CG1-CB 4.21Å; K250-D253 HydrophobicContact CB-CB 4.42Å; K250-D253 WeakPolarHBondContact CB-OD2 3.43Å; K250-D253 PolarHBondContact O-N 2.97Å; D253-T257 VanDerWaalsContact O-CB 3.27Å; D253-T257 WeakPolarHBondContact O-CB 3.37Å; D253-T257 PolarHBondContact O-N 2.88Å; D253-T257 PolarHBondContact O-OG1 2.91Å; D253-F278 HydrophobicContact CB-CD1 4.18Å; D253-F278 HydrophobicContact CB-CD2 3.88Å; D253-F278 HydrophobicContact CB-CE1 4.06Å; D253-F278 HydrophobicContact CB-CE2 3.74Å; D253-F278 HydrophobicContact CB-CG 4.08Å; D253-F278 HydrophobicContact CB-CZ 3.83Å
254A98.5Very high98.1Very high0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-60.6-48.617400000112.2I226 V249 K250 N252 A258 I271 G274 A275I226-A254 HydrophobicContact CD1-CB 3.82Å; I226-A254 HydrophobicContact CG1-CB 3.97Å; V249-A254 HydrophobicContact CG1-CB 4.2Å; K250-A254 PolarHBondContact O-N 3.26Å; N252-A254 VanDerWaalsContact C-N 3.29Å; N252-A254 PolarHBondContact O-N 3.39Å; A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.06Å; A254-I271 HydrophobicContact CB-CG2 4.05Å; A254-G274 WeakPolarHBondContact O-CA 3.38Å; A254-A275 HydrophobicContact CB-CB 3.65Å
255M97.4Very high98.1Very high7 Ų751.4 Ų51.43%0.03425%0.245CC..Hα-helixtrans-67.4-41.3179.8-72.2-173.9-70.500112.5K225 S251 N252 A258 R259 I271 E308 L309K225-M255 HydrophobicContact CD-CE 4.07Å; S251-M255 WeakPolarHBondContact O-CE 3.39Å; S251-M255 WeakPolarHBondContact O-CG 3.19Å; S251-M255 PolarHBondContact O-N 2.62Å; S251-M255 VanDerWaalsContact O-N 3.13Å; N252-M255 PolarHBondContact O-N 2.92Å; N252-M255 WeakPolarHBondContact OD1-CE 3.35Å; M255-A258 PolarHBondContact O-N 3.5Å; M255-R259 WeakPolarHBondContact O-CG 3.3Å; M255-R259 PolarHBondContact O-N 3.05Å; M255-R259 VanDerWaalsContact O-N 3.09Å; M255-R259 PolarHBondContact O-NE 3.41Å; M255-I271 HydrophobicContact CG-CG1 4.46Å; M255-I271 HydrophobicContact CG-CG2 3.76Å; M255-E308 HydrophobicContact SD-CB 4.28Å; M255-L309 HydrophobicContact CB-CD1 4.07Å; M255-L309 HydrophobicContact CG-CD1 4.18Å
256E97.6Very high98.1Very high119 Ų11948.8 Ų48.856%0.55625%0.253SS*.Hα-helixtrans-61.7-47.6176.6-175.7168.5-174.900111.1N252 A258 R259 E260N252-E256 WeakPolarHBondContact O-CB 3.3Å; N252-E256 PolarHBondContact O-N 2.85Å; E256-A258 PolarHBondContact O-N 2.9Å; E256-R259 PolarHBondContact O-N 2.96Å; E256-R259 VanDerWaalsContact O-N 3.14Å; E256-E260 WeakPolarHBondContact O-CB 3.29Å; E256-E260 PolarHBondContact O-N 2.8Å
257T98.5Very high98.1Very high7 Ų749.2 Ų49.24%0.04326%0.255CS..Hα-helixtrans-64.3-38.9179.1-55.50000112.1M28 D253 R259 E260 I261 L277 F278 I281M28-T257 HydrophobicContact CE-CG2 4.19Å; D253-T257 VanDerWaalsContact O-CB 3.27Å; D253-T257 WeakPolarHBondContact O-CB 3.37Å; D253-T257 PolarHBondContact O-N 2.88Å; D253-T257 PolarHBondContact O-OG1 2.91Å; T257-R259 VanDerWaalsContact C-N 3.32Å; T257-R259 PolarHBondContact O-N 3.16Å; T257-E260 PolarHBondContact O-N 3.42Å; T257-I261 WeakPolarHBondContact O-CG2 3.41Å; T257-I261 PolarHBondContact O-N 2.95Å; T257-L277 HydrophobicContact CG2-CB 3.99Å; T257-L277 HydrophobicContact CG2-CD2 3.91Å; T257-L277 HydrophobicContact CG2-CG 3.85Å; T257-F278 HydrophobicContact CG2-CB 4.14Å; T257-F278 WeakPolarHBondContact OG1-CB 2.85Å; T257-F278 WeakPolarHBondContact OG1-CD2 3.45Å; T257-I281 HydrophobicContact CG2-CD1 4.4Å
258A98.3Very high98.1Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-62.7-36.2174.500000112.7A254 M255 E256 I261 V269 L309A254-A258 WeakPolarHBondContact O-CB 3.39Å; A254-A258 PolarHBondContact O-N 3.06Å; M255-A258 PolarHBondContact O-N 3.5Å; E256-A258 PolarHBondContact O-N 2.9Å; A258-I261 WeakPolarHBondContact O-CG2 3.49Å; A258-V269 HydrophobicContact CB-CG2 4.16Å; A258-L309 HydrophobicContact CB-CD1 3.7Å; A258-L309 HydrophobicContact CB-CD2 4.49Å
259R97.7Very high98.1Very high81 Ų8148.8 Ų48.831%0.30625%0.25SC..Hα-helixtrans-71.9-39.1172.5-72.2-177.7-74.1-100.32.6111.9M255 E256 T257 A262 K263 L309 F310M255-R259 WeakPolarHBondContact O-CG 3.3Å; M255-R259 PolarHBondContact O-N 3.05Å; M255-R259 VanDerWaalsContact O-N 3.09Å; M255-R259 PolarHBondContact O-NE 3.41Å; E256-R259 PolarHBondContact O-N 2.96Å; E256-R259 VanDerWaalsContact O-N 3.14Å; T257-R259 VanDerWaalsContact C-N 3.32Å; T257-R259 PolarHBondContact O-N 3.16Å; R259-A262 PolarHBondContact O-N 3.34Å; R259-K263 PolarHBondContact O-N 2.91Å; R259-K263 VanDerWaalsContact O-N 3.16Å; R259-L309 WeakPolarHBondContact CD-O 3.38Å; R259-L309 HydrophobicContact CG-CD1 4.26Å; R259-L309 WeakPolarHBondContact CG-O 3.49Å; R259-L309 PolarHBondContact NH1-O 2.89Å; R259-F310 HydrophobicContact CG-CE1 4.45Å
260E98Very high98Very high64 Ų6448.7 Ų48.730%0.29925%0.249SC..Hα-helixtrans-65.6-43.6-176.8-168.2-178-173.200112.2M28 E256 T257 A262 K263 K264M28-E260 HydrophobicContact CE-CB 4.01Å; M28-E260 HydrophobicContact CE-CG 3.87Å; E256-E260 WeakPolarHBondContact O-CB 3.29Å; E256-E260 PolarHBondContact O-N 2.8Å; T257-E260 PolarHBondContact O-N 3.42Å; E260-A262 VanDerWaalsContact C-N 3.29Å; E260-A262 PolarHBondContact O-N 3.49Å; E260-K263 PolarHBondContact O-N 3.06Å; E260-K263 VanDerWaalsContact O-N 3.11Å; E260-K264 HydrophobicContact CG-CD 3.76Å; E260-K264 HydrophobicContact CG-CG 4.14Å; E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 2.75Å; E260-K264 WeakPolarHBondContact OE1-CD 3.39Å; E260-K264 WeakPolarHBondContact OE1-CE 3.32Å; E260-K264 IonicContact OE1-NZ 2.61Å; E260-K264 PolarHBondContact OE1-NZ 3.16Å
261I98.5Very high97.9Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-62.5-36.1176.9-171.9174.2000112.3L25 M28 T257 A258 K263 E265 G266 I267 V269 L277 L297L25-I261 HydrophobicContact CD2-CD1 4.23Å; M28-I261 HydrophobicContact CE-CB 4.32Å; M28-I261 WeakPolarHBondContact SD-CA 3.44Å; M28-I261 HydrophobicContact SD-CB 3.51Å; M28-I261 VanDerWaalsContact SD-CB 3.51Å; M28-I261 HydrophobicContact SD-CG1 3.83Å; T257-I261 WeakPolarHBondContact O-CG2 3.41Å; T257-I261 PolarHBondContact O-N 2.95Å; A258-I261 WeakPolarHBondContact O-CG2 3.49Å; I261-K263 PolarHBondContact O-N 2.98Å; I261-E265 HydrophobicContact CG1-CB 3.93Å; I261-E265 HydrophobicContact CG1-CG 4.03Å; I261-E265 WeakPolarHBondContact O-CA 3.32Å; I261-E265 WeakPolarHBondContact O-CB 3.33Å; I261-E265 PolarHBondContact O-N 2.86Å; I261-G266 PolarHBondContact O-N 2.78Å; I261-I267 HydrophobicContact CD1-CB 4.11Å; I261-I267 HydrophobicContact CD1-CD1 4.18Å; I261-I267 HydrophobicContact CD1-CG2 4.42Å; I261-I267 HydrophobicContact CG1-CB 4.07Å; I261-V269 HydrophobicContact CG2-CG2 3.64Å; I261-L277 HydrophobicContact CB-CD2 3.74Å; I261-L277 HydrophobicContact CD1-CD2 3.45Å; I261-L277 VanDerWaalsContact CD1-CD2 3.45Å; I261-L277 HydrophobicContact CG1-CD2 3.99Å; I261-L277 HydrophobicContact CG2-CD2 4.18Å; I261-L297 HydrophobicContact CD1-CD1 3.94Å
262A97.9Very high97.9Very high28 Ų2844.3 Ų44.323%0.23123%0.23CC..Hα-helixtrans-62.9-44.1173.500000111.2R259 E260 G266 I267 L268R259-A262 PolarHBondContact O-N 3.34Å; E260-A262 VanDerWaalsContact C-N 3.29Å; E260-A262 PolarHBondContact O-N 3.49Å; A262-G266 VanDerWaalsContact O-CA 3.27Å; A262-G266 WeakPolarHBondContact O-CA 3.41Å; A262-G266 PolarHBondContact O-N 3.42Å; A262-G266 VanDerWaalsContact O-N 3.12Å; A262-I267 VanDerWaalsContact CA-O 3.28Å; A262-I267 WeakPolarHBondContact CA-O 3.18Å; A262-I267 PolarHBondContact N-O 3.47Å; A262-L268 HydrophobicContact CB-CD1 4.04Å
263K97.1Very high98Very high189 Ų18939.4 Ų39.482%0.82220%0.204SC*.Hα-helixtrans-70-39.8-179.7-176.2177.7177.8-179.60113.3R259 E260 I261R259-K263 PolarHBondContact O-N 2.91Å; R259-K263 VanDerWaalsContact O-N 3.16Å; E260-K263 PolarHBondContact O-N 3.06Å; E260-K263 VanDerWaalsContact O-N 3.11Å; I261-K263 PolarHBondContact O-N 2.98Å
264K98.3Very high98Very high90 Ų9037.2 Ų37.239%0.39119%0.192SC..Hα-helixtrans-93.6-31.8-171.7-70.4-170172.31800113.7N27 M28 E260N27-K264 HydrophobicContact CB-CB 4.13Å; N27-K264 WeakPolarHBondContact CB-O 3.31Å; N27-K264 PolarHBondContact ND2-O 3.17Å; M28-K264 HydrophobicContact CG-CB 3.93Å; M28-K264 HydrophobicContact CG-CD 3.93Å; E260-K264 HydrophobicContact CG-CD 3.76Å; E260-K264 HydrophobicContact CG-CG 4.14Å; E260-K264 WeakPolarHBondContact O-CB 3.45Å; E260-K264 PolarHBondContact O-N 2.75Å; E260-K264 WeakPolarHBondContact OE1-CD 3.39Å; E260-K264 WeakPolarHBondContact OE1-CE 3.32Å; E260-K264 IonicContact OE1-NZ 2.61Å; E260-K264 PolarHBondContact OE1-NZ 3.16Å
265E98.3Very high98Very high41 Ų4137.2 Ų37.219%0.19219%0.192CC..Hα-helixtrans-118.9-9-173.4-55-72.9-17000112.7L25 K26 N27 M28 I261 I267L25-E265 HydrophobicContact CD2-CG 4.06Å; K26-E265 PolarHBondContact N-OE1 2.95Å; N27-E265 WeakPolarHBondContact CA-OE1 3.5Å; N27-E265 PolarHBondContact N-OE1 2.88Å; M28-E265 HydrophobicContact CG-CG 3.95Å; M28-E265 PolarHBondContact N-OE1 2.75Å; M28-E265 HydrophobicContact SD-CG 4.11Å; I261-E265 HydrophobicContact CG1-CB 3.93Å; I261-E265 HydrophobicContact CG1-CG 4.03Å; I261-E265 WeakPolarHBondContact O-CA 3.32Å; I261-E265 WeakPolarHBondContact O-CB 3.33Å; I261-E265 PolarHBondContact O-N 2.86Å; E265-I267 VanDerWaalsContact C-N 3.28Å; E265-I267 HydrophobicContact CB-CD1 4.09Å; E265-I267 HydrophobicContact CB-CG1 4.08Å; E265-I267 PolarHBondContact O-N 2.84Å
266G97.9Very high98.1Very high68 Ų6837 Ų3770%0.70119%0.191SC*.  trans71.622-17700000113.5I261 A262I261-G266 PolarHBondContact O-N 2.78Å; A262-G266 VanDerWaalsContact O-CA 3.27Å; A262-G266 WeakPolarHBondContact O-CA 3.41Å; A262-G266 PolarHBondContact O-N 3.42Å; A262-G266 VanDerWaalsContact O-N 3.12Å
267I98.4Very high98.1Very high20 Ų2031.3 Ų31.310%0.10317%0.165CC..  trans-109.5109.2-178.7-51.5173.8000108.8V23 L25 V38 L40 I261 A262 E265 V269V23-I267 HydrophobicContact CG1-CD1 4.37Å; L25-I267 HydrophobicContact CD2-CD1 4.12Å; V38-I267 HydrophobicContact CG2-CD1 3.98Å; L40-I267 HydrophobicContact CD1-CD1 4.37Å; L40-I267 HydrophobicContact CD1-CG2 4.17Å; L40-I267 HydrophobicContact CD2-CD1 4.48Å; L40-I267 HydrophobicContact CD2-CG2 3.68Å; I261-I267 HydrophobicContact CD1-CB 4.11Å; I261-I267 HydrophobicContact CD1-CD1 4.18Å; I261-I267 HydrophobicContact CD1-CG2 4.42Å; I261-I267 HydrophobicContact CG1-CB 4.07Å; A262-I267 VanDerWaalsContact CA-O 3.28Å; A262-I267 WeakPolarHBondContact CA-O 3.18Å; A262-I267 PolarHBondContact N-O 3.47Å; E265-I267 VanDerWaalsContact C-N 3.28Å; E265-I267 HydrophobicContact CB-CD1 4.09Å; E265-I267 HydrophobicContact CB-CG1 4.08Å; E265-I267 PolarHBondContact O-N 2.84Å; I267-V269 HydrophobicContact CG2-CG1 3.7Å
268L97.8Very high98.1Very high60 Ų6033.2 Ų33.231%0.31417%0.173SC..  trans-87.5120.4-179.4-170.468.6000110.8A262 N300 G301 E302 F310A262-L268 HydrophobicContact CB-CD1 4.04Å; L268-N300 PolarHBondContact O-OD1 3.5Å; L268-G301 PolarHBondContact O-N 3.03Å; L268-E302 HydrophobicContact CD2-CG 4.01Å; L268-F310 HydrophobicContact CD1-CE1 3.79Å; L268-F310 HydrophobicContact CD1-CE2 4.35Å; L268-F310 HydrophobicContact CD1-CZ 3.49Å; L268-F310 VanDerWaalsContact CD1-CZ 3.49Å; L268-F310 HydrophobicContact CG-CZ 4.35Å
269V98.2Very high98.2Very high0 Ų033.4 Ų33.40%017%0.174CC..BIsolated β-bridgetrans-138.4162.7-170.7-57.50000113.5A258 I261 I267 L297 G301A258-V269 HydrophobicContact CB-CG2 4.16Å; I261-V269 HydrophobicContact CG2-CG2 3.64Å; I267-V269 HydrophobicContact CG2-CG1 3.7Å; V269-L297 HydrophobicContact CG1-CB 4.5Å; V269-L297 HydrophobicContact CG1-CD1 3.92Å; V269-G301 VanDerWaalsContact C-CA 3.41Å; V269-G301 WeakPolarHBondContact O-CA 3.42Å
270G96.5Very high98.2Very high0 Ų029.6 Ų29.60%016%0.16CC..  trans-76.7175.2173.200000115.2S272 S273 G274 D299G270-S272 PolarHBondContact O-N 2.64Å; G270-S273 VanDerWaalsContact O-CB 3.28Å; G270-S273 WeakPolarHBondContact O-CB 3.45Å; G270-S273 PolarHBondContact O-N 3.33Å; G270-G274 PolarHBondContact O-N 3.17Å; G270-D299 WeakPolarHBondContact CA-OD1 3.34Å; G270-D299 PolarHBondContact N-OD1 3.46Å
271I97.2Very high98.2Very high4 Ų427.3 Ų27.32%0.02115%0.15CC..Hα-helixtrans-64.4-41.7-173.6-48.6173.1000111.6K225 I226 Q227 A254 M255 S273 G274 A275 Y304 L309K225-I271 WeakPolarHBondContact O-CD1 3.25Å; I226-I271 HydrophobicContact CB-CG2 4.32Å; I226-I271 HydrophobicContact CG1-CG2 4.37Å; I226-I271 HydrophobicContact CG2-CG2 4.09Å; Q227-I271 HydrophobicContact CG-CD1 4.35Å; A254-I271 HydrophobicContact CB-CG2 4.05Å; M255-I271 HydrophobicContact CG-CG1 4.46Å; M255-I271 HydrophobicContact CG-CG2 3.76Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.08Å; I271-G274 PolarHBondContact O-N 2.82Å; I271-G274 VanDerWaalsContact O-N 3.11Å; I271-A275 PolarHBondContact O-N 3.48Å; I271-Y304 HydrophobicContact CD1-CD1 4.31Å; I271-Y304 HydrophobicContact CG1-CD1 4.23Å; I271-Y304 HydrophobicContact CG1-CE1 4.43Å; I271-L309 HydrophobicContact CD1-CB 4.27Å; I271-L309 HydrophobicContact CG1-CB 3.99Å; I271-L309 HydrophobicContact CG1-CD1 4.25Å; I271-L309 HydrophobicContact CG1-CD2 3.79Å; I271-L309 HydrophobicContact CG1-CG 4.22Å
272S98.1Very high98.2Very high4 Ų430.4 Ų30.43%0.02816%0.164CC..Hα-helixtrans-64.8-30.4177.555.80000113.2Q227 G270 A275 A276 P298Q227-S272 WeakPolarHBondContact O-CB 3.43Å; G270-S272 PolarHBondContact O-N 2.64Å; S272-A275 PolarHBondContact O-N 3.38Å; S272-A276 PolarHBondContact O-N 2.95Å; S272-P298 VanDerWaalsContact OG-CG 3.28Å; S272-P298 WeakPolarHBondContact OG-CG 3.45Å
273S98.7Very high98.2Very high0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-65.4-42.7172.7-58.50000110.4G270 I271 A276 L277 P298G270-S273 VanDerWaalsContact O-CB 3.28Å; G270-S273 WeakPolarHBondContact O-CB 3.45Å; G270-S273 PolarHBondContact O-N 3.33Å; I271-S273 VanDerWaalsContact C-N 3.27Å; I271-S273 PolarHBondContact O-N 3.08Å; S273-A276 PolarHBondContact O-N 3.19Å; S273-L277 VanDerWaalsContact O-CB 3.29Å; S273-L277 WeakPolarHBondContact O-CB 3.34Å; S273-L277 PolarHBondContact O-N 3.4Å; S273-P298 WeakPolarHBondContact OG-CD 3.31Å
274G98.6Very high98.2Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-61.8-41.5173.800000112.8A254 G270 I271 L277 F278A254-G274 WeakPolarHBondContact O-CA 3.38Å; G270-G274 PolarHBondContact O-N 3.17Å; I271-G274 PolarHBondContact O-N 2.82Å; I271-G274 VanDerWaalsContact O-N 3.11Å; G274-L277 PolarHBondContact O-N 3.03Å; G274-F278 VanDerWaalsContact O-CB 3.31Å; G274-F278 WeakPolarHBondContact O-CB 3.46Å; G274-F278 PolarHBondContact O-N 3.14Å
275A98.8Very high98.2Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-60.2-50.1174.700000112V208 I226 I229 V249 A254 I271 S272 L277 F278 A279V208-A275 HydrophobicContact CG1-CB 4.02Å; I226-A275 HydrophobicContact CD1-CB 4Å; I226-A275 HydrophobicContact CG2-CB 3.89Å; I229-A275 HydrophobicContact CD1-CB 4.31Å; V249-A275 HydrophobicContact CB-CB 4.32Å; V249-A275 HydrophobicContact CG1-CB 4.14Å; A254-A275 HydrophobicContact CB-CB 3.65Å; I271-A275 PolarHBondContact O-N 3.48Å; S272-A275 PolarHBondContact O-N 3.38Å; A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 3.21Å; A275-F278 PolarHBondContact O-N 3.24Å; A275-A279 PolarHBondContact O-N 3.38Å; A275-A279 VanDerWaalsContact O-N 3.1Å
276A98.9Very high98.1Very high1 Ų128.9 Ų28.91%0.00815%0.152CC..Hα-helixtrans-62-40.5179.300000112S272 S273 A280 V295S272-A276 PolarHBondContact O-N 2.95Å; S273-A276 PolarHBondContact O-N 3.19Å; A276-A280 WeakPolarHBondContact O-CB 3.33Å; A276-A280 PolarHBondContact O-N 2.66Å; A276-A280 VanDerWaalsContact O-N 3.07Å; A276-V295 HydrophobicContact CB-CG1 3.64Å; A276-V295 WeakPolarHBondContact O-CG1 3.45Å
277L98.9Very high98.1Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-69.4-41178-178.959.7000112.5L25 M28 I36 V38 T257 I261 S273 G274 A275 A279 A280 I281 L297L25-L277 HydrophobicContact CD1-CD1 3.63Å; L25-L277 HydrophobicContact CD1-CD2 4.42Å; M28-L277 HydrophobicContact CE-CD2 4.11Å; M28-L277 HydrophobicContact SD-CD2 4.04Å; I36-L277 HydrophobicContact CG2-CD1 4.15Å; V38-L277 HydrophobicContact CG1-CD1 4.35Å; T257-L277 HydrophobicContact CG2-CB 3.99Å; T257-L277 HydrophobicContact CG2-CD2 3.91Å; T257-L277 HydrophobicContact CG2-CG 3.85Å; I261-L277 HydrophobicContact CB-CD2 3.74Å; I261-L277 HydrophobicContact CD1-CD2 3.45Å; I261-L277 VanDerWaalsContact CD1-CD2 3.45Å; I261-L277 HydrophobicContact CG1-CD2 3.99Å; I261-L277 HydrophobicContact CG2-CD2 4.18Å; S273-L277 VanDerWaalsContact O-CB 3.29Å; S273-L277 WeakPolarHBondContact O-CB 3.34Å; S273-L277 PolarHBondContact O-N 3.4Å; G274-L277 PolarHBondContact O-N 3.03Å; A275-L277 VanDerWaalsContact C-N 3.31Å; A275-L277 PolarHBondContact O-N 3.21Å; L277-A279 PolarHBondContact O-N 2.76Å; L277-A280 PolarHBondContact O-N 2.73Å; L277-I281 HydrophobicContact CD1-CD1 4.07Å; L277-I281 HydrophobicContact CD1-CG1 4.17Å; L277-I281 HydrophobicContact CG-CD1 3.86Å; L277-I281 HydrophobicContact CG-CG1 4.4Å; L277-I281 WeakPolarHBondContact O-CG1 3.44Å; L277-I281 PolarHBondContact O-N 2.9Å; L277-L297 HydrophobicContact CB-CD2 4.41Å
278F98.8Very high98Very high48 Ų4829.6 Ų29.621%0.21114%0.142CC..Hα-helixtrans-57.4-51.8176.1176.4-95.7000110.3V249 D253 T257 G274 A275 A280 I281 E282V249-F278 HydrophobicContact CB-CD1 4.4Å; V249-F278 HydrophobicContact CG1-CB 4.3Å; V249-F278 HydrophobicContact CG1-CD1 3.64Å; V249-F278 HydrophobicContact CG1-CE1 4.32Å; V249-F278 HydrophobicContact CG1-CG 4.2Å; V249-F278 HydrophobicContact CG2-CD1 3.96Å; D253-F278 HydrophobicContact CB-CD1 4.18Å; D253-F278 HydrophobicContact CB-CD2 3.88Å; D253-F278 HydrophobicContact CB-CE1 4.06Å; D253-F278 HydrophobicContact CB-CE2 3.74Å; D253-F278 HydrophobicContact CB-CG 4.08Å; D253-F278 HydrophobicContact CB-CZ 3.83Å; T257-F278 HydrophobicContact CG2-CB 4.14Å; T257-F278 WeakPolarHBondContact OG1-CB 2.85Å; T257-F278 WeakPolarHBondContact OG1-CD2 3.45Å; G274-F278 VanDerWaalsContact O-CB 3.31Å; G274-F278 WeakPolarHBondContact O-CB 3.46Å; G274-F278 PolarHBondContact O-N 3.14Å; A275-F278 PolarHBondContact O-N 3.24Å; F278-A280 VanDerWaalsContact C-N 3.27Å; F278-A280 PolarHBondContact O-N 3.45Å; F278-I281 PolarHBondContact O-N 3.45Å; F278-I281 VanDerWaalsContact O-N 3.15Å; F278-E282 HydrophobicContact CD1-CG 4.3Å; F278-E282 HydrophobicContact CE1-CG 3.88Å; F278-E282 HydrophobicContact CE2-CG 4.24Å; F278-E282 HydrophobicContact CZ-CG 3.85Å; F278-E282 WeakPolarHBondContact O-CG 3.39Å; F278-E282 PolarHBondContact O-N 2.98Å
279A98.7Very high97.9Very high4 Ų429.6 Ų29.63%0.03315%0.147CC..Hα-helixtrans-57.3-41.3177.300000112.1V180 V208 L247 V249 A275 L277 M283V180-A279 HydrophobicContact CG1-CB 4.34Å; V208-A279 HydrophobicContact CG2-CB 3.49Å; V208-A279 VanDerWaalsContact CG2-CB 3.49Å; L247-A279 HydrophobicContact CB-CB 4Å; L247-A279 HydrophobicContact CD1-CB 3.83Å; V249-A279 HydrophobicContact CG2-CB 3.91Å; A275-A279 PolarHBondContact O-N 3.38Å; A275-A279 VanDerWaalsContact O-N 3.1Å; L277-A279 PolarHBondContact O-N 2.76Å; A279-M283 VanDerWaalsContact O-CB 3.25Å; A279-M283 WeakPolarHBondContact O-CB 3.08Å; A279-M283 VanDerWaalsContact O-CG 3.26Å; A279-M283 WeakPolarHBondContact O-CG 3.32Å; A279-M283 PolarHBondContact O-N 3.47Å
280A98.7Very high97.8Very high0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-68.2-36.6177.700000113.7V180 A276 L277 F278 M283 A284 V293 V295V180-A280 HydrophobicContact CB-CB 4.28Å; V180-A280 HydrophobicContact CG1-CB 4.42Å; V180-A280 HydrophobicContact CG2-CB 4Å; A276-A280 WeakPolarHBondContact O-CB 3.33Å; A276-A280 PolarHBondContact O-N 2.66Å; A276-A280 VanDerWaalsContact O-N 3.07Å; L277-A280 PolarHBondContact O-N 2.73Å; F278-A280 VanDerWaalsContact C-N 3.27Å; F278-A280 PolarHBondContact O-N 3.45Å; A280-M283 WeakPolarHBondContact O-CB 3.42Å; A280-A284 WeakPolarHBondContact O-CB 3.31Å; A280-A284 PolarHBondContact O-N 3.35Å; A280-V293 HydrophobicContact CB-CG1 4.08Å; A280-V295 HydrophobicContact CB-CB 4.35Å; A280-V295 HydrophobicContact CB-CG1 4.32Å; A280-V295 HydrophobicContact CB-CG2 3.13Å
281I98.7Very high97.8Very high17 Ų1737.4 Ų37.49%0.08719%0.188CC..Hα-helixtrans-65.9-48174.8-71.6166.7000110.2M28 I36 T257 L277 F278 M283 A284 K285M28-I281 HydrophobicContact CB-CD1 4.5Å; M28-I281 HydrophobicContact CE-CD1 3.7Å; I36-I281 HydrophobicContact CD1-CB 4.29Å; I36-I281 HydrophobicContact CD1-CG1 3.57Å; T257-I281 HydrophobicContact CG2-CD1 4.4Å; L277-I281 HydrophobicContact CD1-CD1 4.07Å; L277-I281 HydrophobicContact CD1-CG1 4.17Å; L277-I281 HydrophobicContact CG-CD1 3.86Å; L277-I281 HydrophobicContact CG-CG1 4.4Å; L277-I281 WeakPolarHBondContact O-CG1 3.44Å; L277-I281 PolarHBondContact O-N 2.9Å; F278-I281 PolarHBondContact O-N 3.45Å; F278-I281 VanDerWaalsContact O-N 3.15Å; I281-M283 PolarHBondContact O-N 2.85Å; I281-A284 PolarHBondContact O-N 2.93Å; I281-A284 VanDerWaalsContact O-N 3.17Å; I281-K285 HydrophobicContact CG2-CD 4.46Å; I281-K285 WeakPolarHBondContact O-CG 3.28Å; I281-K285 PolarHBondContact O-N 3.25Å
282E98.2Very high97.8Very high64 Ų6438.9 Ų38.930%0.29919%0.194SC..Hα-helixtrans-61.7-34179-71.9-54.2108.700112.9F278 K285 K286F278-E282 HydrophobicContact CD1-CG 4.3Å; F278-E282 HydrophobicContact CE1-CG 3.88Å; F278-E282 HydrophobicContact CE2-CG 4.24Å; F278-E282 HydrophobicContact CZ-CG 3.85Å; F278-E282 WeakPolarHBondContact O-CG 3.39Å; F278-E282 PolarHBondContact O-N 2.98Å; E282-K285 IonicContact OE1-NZ 2.67Å; E282-K285 PolarHBondContact OE1-NZ 3.45Å; E282-K286 WeakPolarHBondContact O-CE 3.43Å
283M96.7Very high97.9Very high22 Ų2238.7 Ų38.711%0.10819%0.193CC..Hα-helixtrans-68.7-51.7170.7-88.4-91.7-62.800113A178 Y206 L247 A279 A280 I281 K285 K286 M287A178-M283 HydrophobicContact CB-CE 4.15Å; Y206-M283 HydrophobicContact CD1-CE 3.99Å; Y206-M283 HydrophobicContact CD1-SD 3.97Å; Y206-M283 HydrophobicContact CD2-CE 3.34Å; Y206-M283 HydrophobicContact CD2-SD 4.39Å; Y206-M283 HydrophobicContact CE1-CE 3.65Å; Y206-M283 HydrophobicContact CE1-SD 3.54Å; Y206-M283 VanDerWaalsContact CE1-SD 3.54Å; Y206-M283 HydrophobicContact CE2-CE 2.92Å; Y206-M283 HydrophobicContact CE2-SD 4.02Å; Y206-M283 HydrophobicContact CG-CE 3.85Å; Y206-M283 HydrophobicContact CG-SD 4.36Å; Y206-M283 VanDerWaalsContact CZ-SD 3.55Å; Y206-M283 WeakPolarHBondContact OH-CE 3.33Å; L247-M283 HydrophobicContact CD1-CG 3.67Å; L247-M283 HydrophobicContact CD1-SD 4.32Å; A279-M283 VanDerWaalsContact O-CB 3.25Å; A279-M283 WeakPolarHBondContact O-CB 3.08Å; A279-M283 VanDerWaalsContact O-CG 3.26Å; A279-M283 WeakPolarHBondContact O-CG 3.32Å; A279-M283 PolarHBondContact O-N 3.47Å; A280-M283 WeakPolarHBondContact O-CB 3.42Å; I281-M283 PolarHBondContact O-N 2.85Å; M283-K285 PolarHBondContact O-N 3.33Å; M283-K286 WeakPolarHBondContact O-CB 3.33Å; M283-K286 PolarHBondContact O-N 2.9Å; M283-M287 HydrophobicContact CE-SD 4.23Å
284A97.8Very high97.9Very high0 Ų038.7 Ų38.70%019%0.193CC..Hα-helixtrans-60-33.7-175.500000111.9M33 A34 I36 A280 I281 K286 M287 V293M33-A284 VanDerWaalsContact CB-O 3.31Å; M33-A284 WeakPolarHBondContact CB-O 3.49Å; M33-A284 HydrophobicContact CE-CB 3.92Å; A34-A284 HydrophobicContact CB-CB 4.03Å; A34-A284 PolarHBondContact N-O 3.35Å; A34-A284 VanDerWaalsContact N-O 3.1Å; I36-A284 HydrophobicContact CD1-CB 3.79Å; I36-A284 HydrophobicContact CG1-CB 3.88Å; A280-A284 WeakPolarHBondContact O-CB 3.31Å; A280-A284 PolarHBondContact O-N 3.35Å; I281-A284 PolarHBondContact O-N 2.93Å; I281-A284 VanDerWaalsContact O-N 3.17Å; A284-K286 PolarHBondContact O-N 3.15Å; A284-K286 VanDerWaalsContact O-N 3.12Å; A284-M287 PolarHBondContact O-N 3.42Å; A284-V293 HydrophobicContact CB-CG2 4.33Å
285K97.7Very high97.9Very high121 Ų12138.7 Ų38.753%0.52619%0.193SC..THydrogen-bonded Turntrans-57.5-19.4172.3-73.3171.7-178.1171.50114.3M33 I281 E282 M283M33-K285 HydrophobicContact SD-CG 4.43Å; I281-K285 HydrophobicContact CG2-CD 4.46Å; I281-K285 WeakPolarHBondContact O-CG 3.28Å; I281-K285 PolarHBondContact O-N 3.25Å; E282-K285 IonicContact OE1-NZ 2.67Å; E282-K285 PolarHBondContact OE1-NZ 3.45Å; M283-K285 PolarHBondContact O-N 3.33Å
286K97Very high97.9Very high174 Ų17439 Ų3976%0.75719%0.194SC*.THydrogen-bonded Turntrans-105.14-179.8-56.7170.9-171.1169.70112.4E282 M283 A284E282-K286 WeakPolarHBondContact O-CE 3.43Å; M283-K286 WeakPolarHBondContact O-CB 3.33Å; M283-K286 PolarHBondContact O-N 2.9Å; A284-K286 PolarHBondContact O-N 3.15Å; A284-K286 VanDerWaalsContact O-N 3.12Å
287M97.4Very high97.9Very high27 Ų2739 Ų3913%0.13319%0.194CC..SBendtrans-115.5159.5-177.7-67.4176.768.500109.4A34 D177 A178 M283 A284 Q291 V293A34-M287 HydrophobicContact CB-CB 3.54Å; A34-M287 HydrophobicContact CB-CE 4.28Å; A34-M287 HydrophobicContact CB-SD 4.32Å; D177-M287 HydrophobicContact CB-CE 3.73Å; A178-M287 HydrophobicContact CB-CE 4.39Å; M283-M287 HydrophobicContact CE-SD 4.23Å; A284-M287 PolarHBondContact O-N 3.42Å; M287-Q291 VanDerWaalsContact CB-OE1 3.28Å; M287-Q291 HydrophobicContact CE-CB 3.75Å; M287-Q291 HydrophobicContact CE-CG 4.38Å; M287-V293 HydrophobicContact CE-CG2 3.98Å; M287-V293 HydrophobicContact SD-CG2 3.71Å
288T96.2Very high97.9Very high75 Ų7540 Ų4046%0.4620%0.2SC..  trans-84.5157.6-179.158.20000111.9A34 D290 Q291A34-T288 VanDerWaalsContact CA-O 3.29Å; A34-T288 WeakPolarHBondContact CA-O 3.47Å; T288-D290 WeakPolarHBondContact CB-OD1 3.29Å; T288-D290 PolarHBondContact O-N 2.9Å; T288-D290 PolarHBondContact OG1-OD1 2.82Å; T288-Q291 WeakPolarHBondContact O-CB 3.42Å; T288-Q291 PolarHBondContact O-N 2.81Å; T288-Q291 WeakPolarHBondContact OG1-CG 3.47Å; T288-Q291 PolarHBondContact OG1-OE1 2.91Å
289S96Very high97.8Very high60 Ų6037.8 Ų37.842%0.4219%0.191SC..THydrogen-bonded Turntrans-70.5-13.7-171.4580000115.8D31 M33 Q35D31-S289 WeakPolarHBondContact O-CB 3.28Å; D31-S289 PolarHBondContact O-OG 3.45Å; M33-S289 WeakPolarHBondContact O-CA 3.46Å; Q35-S289 PolarHBondContact NE2-O 2.89Å
290D95.4Very high97.6Very high116 Ų11639.2 Ų39.262%0.6220%0.198SC*.THydrogen-bonded Turntrans-78.2-19.916961.5-50.3000113.1T288T288-D290 WeakPolarHBondContact CB-OD1 3.29Å; T288-D290 PolarHBondContact O-N 2.9Å; T288-D290 PolarHBondContact OG1-OD1 2.82Å
291Q97.3Very high97.3Very high49 Ų4939.2 Ų39.223%0.22920%0.198CC..  trans-79.7157.6179.4-59.2-174-77.600112.7A34 Q35 D177 M287 T288A34-Q291 HydrophobicContact CB-CB 4.01Å; A34-Q291 WeakPolarHBondContact CB-O 3.42Å; Q35-Q291 PolarHBondContact N-O 3.37Å; D177-Q291 HydrophobicContact CB-CB 4.11Å; D177-Q291 PolarHBondContact OD1-NE2 3.44Å; D177-Q291 WeakPolarHBondContact OD2-CA 3.39Å; D177-Q291 WeakPolarHBondContact OD2-CB 3.43Å; M287-Q291 VanDerWaalsContact CB-OE1 3.28Å; M287-Q291 HydrophobicContact CE-CB 3.75Å; M287-Q291 HydrophobicContact CE-CG 4.38Å; T288-Q291 WeakPolarHBondContact O-CB 3.42Å; T288-Q291 PolarHBondContact O-N 2.81Å; T288-Q291 WeakPolarHBondContact OG1-CG 3.47Å; T288-Q291 PolarHBondContact OG1-OE1 2.91Å
292K98.2Very high97Very high35 Ų3544.3 Ų44.315%0.15222%0.221CC..EExtended strand (participates in β ladder)trans-130.3127.7-174.3-57.9171.8-163.9150.70112Q35 Y37 F171 N174 L176 D177 A178Q35-K292 HydrophobicContact CB-CG 4.47Å; Q35-K292 WeakPolarHBondContact O-CA 3.43Å; Y37-K292 HydrophobicContact CD2-CB 4.43Å; Y37-K292 HydrophobicContact CE2-CB 4.08Å; Y37-K292 HydrophobicContact CE2-CD 4.25Å; Y37-K292 HydrophobicContact CE2-CG 3.97Å; F171-K292 HydrophobicContact CD1-CD 4.33Å; F171-K292 HydrophobicContact CE1-CD 4.38Å; N174-K292 PolarHBondContact O-NZ 2.61Å; L176-K292 HydrophobicContact CD2-CB 3.97Å; D177-K292 PolarHBondContact N-O 3.17Å; D177-K292 PolarHBondContact OD2-N 3.31Å; A178-K292 PolarHBondContact N-O 3.15Å; A178-K292 VanDerWaalsContact N-O 3.12Å
293V98.6Very high96.4Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-112127.5175.1-174.10000108.8A34 Q35 I36 Y37 A178 V180 A280 A284 M287 V295A34-V293 HydrophobicContact CB-CG2 4Å; Q35-V293 PolarHBondContact O-N 3.27Å; I36-V293 WeakPolarHBondContact CA-O 3.35Å; Y37-V293 PolarHBondContact N-O 2.85Å; A178-V293 HydrophobicContact CB-CB 4.47Å; A178-V293 HydrophobicContact CB-CG1 4.14Å; A178-V293 HydrophobicContact CB-CG2 4.15Å; A178-V293 WeakPolarHBondContact O-CA 3.46Å; V180-V293 HydrophobicContact CG2-CG1 3.83Å; A280-V293 HydrophobicContact CB-CG1 4.08Å; A284-V293 HydrophobicContact CB-CG2 4.33Å; M287-V293 HydrophobicContact CE-CG2 3.98Å; M287-V293 HydrophobicContact SD-CG2 3.71Å; V293-V295 HydrophobicContact CG1-CG2 4.36Å
294L98.8Very high96.1Very high0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-105.3131168.9-178.672.1000110.4I22 Y37 K39 I167 F171 L176 A178 F179 V180I22-L294 HydrophobicContact CG1-CD1 4.4Å; I22-L294 HydrophobicContact CG2-CD1 3.94Å; Y37-L294 CarbonylContact O-C 3.6Å; Y37-L294 WeakPolarHBondContact O-CA 3.41Å; K39-L294 HydrophobicContact CB-CD1 4.24Å; I167-L294 HydrophobicContact CB-CD2 4.17Å; I167-L294 HydrophobicContact CD1-CD2 3.52Å; I167-L294 HydrophobicContact CG1-CD2 3.56Å; I167-L294 HydrophobicContact CG2-CD2 3.5Å; F171-L294 HydrophobicContact CE2-CD1 4.11Å; F171-L294 HydrophobicContact CE2-CD2 4.19Å; F171-L294 HydrophobicContact CZ-CD1 4.25Å; L176-L294 HydrophobicContact CD1-CB 3.87Å; L176-L294 HydrophobicContact CD1-CD2 3.98Å; L176-L294 HydrophobicContact CD2-CB 3.92Å; A178-L294 PolarHBondContact O-N 3.43Å; F179-L294 CarbonylContact C-O 3.56Å; F179-L294 WeakPolarHBondContact CA-O 3.36Å; F179-L294 HydrophobicContact CD2-CB 4.28Å; F179-L294 HydrophobicContact CD2-CD2 4.04Å; F179-L294 HydrophobicContact CD2-CG 4.23Å; F179-L294 HydrophobicContact CE2-CD2 4.25Å; V180-L294 PolarHBondContact N-O 3.5Å
295V98.9Very high95.7Very high0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-116132.1176.7-163.90000109.4I36 Y37 V38 K39 V180 A276 A280 V293 L297I36-V295 HydrophobicContact CG2-CG2 3.92Å; Y37-V295 PolarHBondContact O-N 3.04Å; V38-V295 CarbonylContact C-O 3.24Å; V38-V295 WeakPolarHBondContact CA-O 3.42Å; V38-V295 HydrophobicContact CG1-CB 4.44Å; K39-V295 PolarHBondContact N-O 2.77Å; V180-V295 HydrophobicContact CB-CG1 4.33Å; V180-V295 HydrophobicContact CB-CG2 4.49Å; V180-V295 WeakPolarHBondContact O-CA 3.47Å; A276-V295 HydrophobicContact CB-CG1 3.64Å; A276-V295 WeakPolarHBondContact O-CG1 3.45Å; A280-V295 HydrophobicContact CB-CB 4.35Å; A280-V295 HydrophobicContact CB-CG1 4.32Å; A280-V295 HydrophobicContact CB-CG2 3.13Å; V293-V295 HydrophobicContact CG1-CG2 4.36Å; V295-L297 HydrophobicContact CB-CD2 4.38Å; V295-L297 HydrophobicContact CG1-CD2 3.87Å
296L98.8Very high95.2Very high7 Ų745 Ų454%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-89.7121.8173.4-171.3141.9000111K39 E41 V49 T163 F179 V180 T188 P298K39-L296 HydrophobicContact CG-CD1 4.33Å; E41-L296 HydrophobicContact CG-CD1 4.08Å; E41-L296 HydrophobicContact CG-CD2 4.13Å; E41-L296 HydrophobicContact CG-CG 4.02Å; V49-L296 HydrophobicContact CB-CD2 4.49Å; V49-L296 HydrophobicContact CG2-CD2 4.23Å; T163-L296 HydrophobicContact CG2-CD1 4.03Å; F179-L296 HydrophobicContact CE2-CB 4.1Å; F179-L296 HydrophobicContact CZ-CB 4.09Å; F179-L296 HydrophobicContact CZ-CD1 4.44Å; V180-L296 PolarHBondContact O-N 3.49Å; V180-L296 VanDerWaalsContact O-N 3.12Å; T188-L296 HydrophobicContact CG2-CD1 3.49Å; T188-L296 VanDerWaalsContact CG2-CD1 3.49Å; T188-L296 HydrophobicContact CG2-CD2 4.11Å; T188-L296 HydrophobicContact CG2-CG 4.34Å; L296-P298 HydrophobicContact CD2-CB 4.26Å; L296-P298 WeakPolarHBondContact O-CD 3.44Å
297L98.8Very high94.7Very high1 Ų138 Ų381%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-104.1104.5177.1-52.3-167.6000108.7V38 K39 L40 E41 I261 V269 L277 V295 D299V38-L297 HydrophobicContact CB-CD1 3.78Å; V38-L297 HydrophobicContact CB-CG 4Å; V38-L297 HydrophobicContact CG1-CD1 3.83Å; V38-L297 HydrophobicContact CG1-CD2 4.48Å; V38-L297 HydrophobicContact CG1-CG 4.18Å; V38-L297 HydrophobicContact CG2-CD1 4.33Å; K39-L297 PolarHBondContact O-N 3.08Å; L40-L297 HydrophobicContact CD2-CB 4.28Å; L40-L297 HydrophobicContact CD2-CD1 3.81Å; L40-L297 HydrophobicContact CD2-CG 4.33Å; E41-L297 WeakPolarHBondContact CB-O 3.25Å; E41-L297 PolarHBondContact N-O 3.15Å; I261-L297 HydrophobicContact CD1-CD1 3.94Å; V269-L297 HydrophobicContact CG1-CB 4.5Å; V269-L297 HydrophobicContact CG1-CD1 3.92Å; L277-L297 HydrophobicContact CB-CD2 4.41Å; V295-L297 HydrophobicContact CB-CD2 4.38Å; V295-L297 HydrophobicContact CG1-CD2 3.87Å; L297-D299 PolarHBondContact O-N 3.08Å
298P98.3Very high94.4Very high20 Ų2041.3 Ų41.313%0.1322%0.222CC..  trans-70.7-25.3-163.224.2-37.8000116.4S48 V49 S272 S273 L296S48-P298 CarbonylContact C-O 3.52Å; S48-P298 WeakPolarHBondContact CA-O 3.34Å; S48-P298 WeakPolarHBondContact CB-O 3.29Å; V49-P298 HydrophobicContact CB-CB 4.28Å; V49-P298 HydrophobicContact CG1-CB 3.58Å; V49-P298 PolarHBondContact N-O 3Å; S272-P298 VanDerWaalsContact OG-CG 3.28Å; S272-P298 WeakPolarHBondContact OG-CG 3.45Å; S273-P298 WeakPolarHBondContact OG-CD 3.31Å; L296-P298 HydrophobicContact CD2-CB 4.26Å; L296-P298 WeakPolarHBondContact O-CD 3.44Å
299D97.1Very high94.2Very high1 Ų137.8 Ų37.81%0.00520%0.2CC..BIsolated β-bridgetrans-158.1172-173.167.1-2.2000114.8N80 G270 L297 Y304N80-D299 WeakPolarHBondContact ND2-CB 3.27Å; N80-D299 PolarHBondContact ND2-OD2 2.9Å; G270-D299 WeakPolarHBondContact CA-OD1 3.34Å; G270-D299 PolarHBondContact N-OD1 3.46Å; L297-D299 PolarHBondContact O-N 3.08Å; D299-Y304 WeakPolarHBondContact OD2-CE2 3.46Å; D299-Y304 PolarHBondContact OD2-OH 2.9Å
300N94.4Very high94Very high34 Ų3435.9 Ų35.918%0.18219%0.185CC..BIsolated β-bridgetrans-81.4145.5177.4-171.94.5000111.9L268 E302L268-N300 PolarHBondContact O-OD1 3.5Å; N300-E302 VanDerWaalsContact C-N 3.33Å; N300-E302 VanDerWaalsContact ND2-CD 3.26Å; N300-E302 PolarHBondContact ND2-OE1 3.37Å; N300-E302 VanDerWaalsContact ND2-OE1 3.1Å; N300-E302 PolarHBondContact O-N 2.81Å; N300-E302 PolarHBondContact OD1-N 3.09Å
301G93.6Very high93.7Very high0 Ų037.2 Ų37.20%019%0.187CC..G310 helixtrans-68.7-19.9175.600000115.2L268 V269 R303 Y304 F310L268-G301 PolarHBondContact O-N 3.03Å; V269-G301 VanDerWaalsContact C-CA 3.41Å; V269-G301 WeakPolarHBondContact O-CA 3.42Å; G301-R303 PolarHBondContact O-N 2.93Å; G301-Y304 WeakPolarHBondContact O-CB 3.49Å; G301-Y304 PolarHBondContact O-N 3.37Å; G301-F310 VanDerWaalsContact O-CE2 3.23Å; G301-F310 WeakPolarHBondContact O-CE2 3.27Å
302E91.5Very high92.9Very high125 Ų12541.5 Ų41.558%0.58421%0.205SC*.G310 helixtrans-55.1-25.1179.9-75.2174.3-144.600114.4L268 N300 Y304 L305L268-E302 HydrophobicContact CD2-CG 4.01Å; N300-E302 VanDerWaalsContact C-N 3.33Å; N300-E302 VanDerWaalsContact ND2-CD 3.26Å; N300-E302 PolarHBondContact ND2-OE1 3.37Å; N300-E302 VanDerWaalsContact ND2-OE1 3.1Å; N300-E302 PolarHBondContact O-N 2.81Å; N300-E302 PolarHBondContact OD1-N 3.09Å; E302-Y304 PolarHBondContact O-N 2.86Å; E302-L305 HydrophobicContact CB-CD1 4.47Å; E302-L305 WeakPolarHBondContact O-CG 3.35Å
303R86.7Confident91.9Very high39 Ų3947.9 Ų47.915%0.14724%0.241CC..G310 helixtrans-70.8-10.5177.8-57.2175.2-172.2-72.6-11.6113.8G46 G47 G301G46-R303 PolarHBondContact O-NH2 3.43Å; G47-R303 PolarHBondContact O-NH2 2.97Å; G301-R303 PolarHBondContact O-N 2.93Å
304Y89.9Confident89.7Confident2 Ų260.2 Ų60.21%0.00830%0.299CS..G310 helixtrans-118.56.9-169.5-57.3-87.6000112.2R108 Q227 I271 D299 G301 E302 S306 T307 L309R108-Y304 VanDerWaalsContact NH2-CE1 3.29Å; Q227-Y304 HydrophobicContact CB-CE1 4.2Å; I271-Y304 HydrophobicContact CD1-CD1 4.31Å; I271-Y304 HydrophobicContact CG1-CD1 4.23Å; I271-Y304 HydrophobicContact CG1-CE1 4.43Å; D299-Y304 WeakPolarHBondContact OD2-CE2 3.46Å; D299-Y304 PolarHBondContact OD2-OH 2.9Å; G301-Y304 WeakPolarHBondContact O-CB 3.49Å; G301-Y304 PolarHBondContact O-N 3.37Å; E302-Y304 PolarHBondContact O-N 2.86Å; Y304-S306 PolarHBondContact O-N 3.4Å; Y304-T307 WeakPolarHBondContact CB-OG1 3.15Å; Y304-T307 HydrophobicContact CD1-CG2 4.47Å; Y304-T307 WeakPolarHBondContact O-CB 3.45Å; Y304-T307 PolarHBondContact O-N 3.25Å; Y304-T307 PolarHBondContact O-OG1 3.13Å; Y304-L309 HydrophobicContact CD2-CD2 4.46Å; Y304-L309 HydrophobicContact CG-CD2 4.1Å
305L90.1Very high89.3Confident108 Ų10863.3 Ų63.357%0.56531%0.314SS*.THydrogen-bonded Turntrans-59.1-29.4-174.8-67.5174000113.8E302 F310E302-L305 HydrophobicContact CB-CD1 4.47Å; E302-L305 WeakPolarHBondContact O-CG 3.35Å; L305-F310 HydrophobicContact CD2-CD2 3.96Å; L305-F310 HydrophobicContact CD2-CE2 4.48Å; L305-F310 HydrophobicContact CD2-CG 4.35Å
306S86Confident88.8Confident71 Ų7166.6 Ų66.650%0.49733%0.33SS..THydrogen-bonded Turntrans-94.98.5175.957.20000114.2E107 Y304E107-S306 WeakPolarHBondContact OE1-CB 3.45Å; E107-S306 PolarHBondContact OE1-OG 2.65Å; E107-S306 PolarHBondContact OE2-OG 2.78Å; Y304-S306 PolarHBondContact O-N 3.4Å
307T87.7Confident88.2Confident29 Ų2969.9 Ų69.918%0.17835%0.347CS..SBendtrans-103.6170.4-179.775.50000111.5Y304 L309 F310 Q311Y304-T307 WeakPolarHBondContact CB-OG1 3.15Å; Y304-T307 HydrophobicContact CD1-CG2 4.47Å; Y304-T307 WeakPolarHBondContact O-CB 3.45Å; Y304-T307 PolarHBondContact O-N 3.25Å; Y304-T307 PolarHBondContact O-OG1 3.13Å; T307-L309 PolarHBondContact O-N 3.27Å; T307-L309 PolarHBondContact OG1-N 3.48Å; T307-F310 PolarHBondContact O-N 2.87Å; T307-Q311 PolarHBondContact O-N 3.21Å
308E90Very high87.6Confident96 Ų9673.9 Ų73.945%0.44937%0.367SS..G310 helixtrans-54.8-20.7174.3-64.5-175-139.800114K225 M255 F310 Q311K225-E308 IonicContact NZ-OE1 3.4Å; K225-E308 PolarHBondContact NZ-OE1 2.84Å; K225-E308 IonicContact NZ-OE2 2.66Å; K225-E308 PolarHBondContact NZ-OE2 3.43Å; M255-E308 HydrophobicContact SD-CB 4.28Å; E308-F310 VanDerWaalsContact C-N 3.29Å; E308-F310 PolarHBondContact O-N 3.04Å; E308-Q311 PolarHBondContact O-N 3.5Å
309L92.8Very high86.9Confident0 Ų077.3 Ų77.30%038%0.381CS..G310 helixtrans-58.5-41.6177.5178.158.9000112.1M255 A258 R259 I271 Y304 T307M255-L309 HydrophobicContact CB-CD1 4.07Å; M255-L309 HydrophobicContact CG-CD1 4.18Å; A258-L309 HydrophobicContact CB-CD1 3.7Å; A258-L309 HydrophobicContact CB-CD2 4.49Å; R259-L309 WeakPolarHBondContact CD-O 3.38Å; R259-L309 HydrophobicContact CG-CD1 4.26Å; R259-L309 WeakPolarHBondContact CG-O 3.49Å; R259-L309 PolarHBondContact NH1-O 2.89Å; I271-L309 HydrophobicContact CD1-CB 4.27Å; I271-L309 HydrophobicContact CG1-CB 3.99Å; I271-L309 HydrophobicContact CG1-CD1 4.25Å; I271-L309 HydrophobicContact CG1-CD2 3.79Å; I271-L309 HydrophobicContact CG1-CG 4.22Å; Y304-L309 HydrophobicContact CD2-CD2 4.46Å; Y304-L309 HydrophobicContact CG-CD2 4.1Å; T307-L309 PolarHBondContact O-N 3.27Å; T307-L309 PolarHBondContact OG1-N 3.48Å
310F92Very high86.3Confident20 Ų2082.4 Ų82.49%0.08841%0.406CS..G310 helixtrans-116.527.5-177.4-61.7-60.9000112.5R259 L268 G301 L305 T307 E308 F312R259-F310 HydrophobicContact CG-CE1 4.45Å; L268-F310 HydrophobicContact CD1-CE1 3.79Å; L268-F310 HydrophobicContact CD1-CE2 4.35Å; L268-F310 HydrophobicContact CD1-CZ 3.49Å; L268-F310 VanDerWaalsContact CD1-CZ 3.49Å; L268-F310 HydrophobicContact CG-CZ 4.35Å; G301-F310 VanDerWaalsContact O-CE2 3.23Å; G301-F310 WeakPolarHBondContact O-CE2 3.27Å; L305-F310 HydrophobicContact CD2-CD2 3.96Å; L305-F310 HydrophobicContact CD2-CE2 4.48Å; L305-F310 HydrophobicContact CD2-CG 4.35Å; T307-F310 PolarHBondContact O-N 2.87Å; E308-F310 VanDerWaalsContact C-N 3.29Å; E308-F310 PolarHBondContact O-N 3.04Å; F310-F312 HydrophobicContact CB-CE2 4Å; F310-F312 HydrophobicContact CB-CZ 4.29Å; F310-F312 HydrophobicContact CD1-CZ 4.02Å; F310-F312 WeakPolarHBondContact O-CD2 3.46Å; F310-F312 VanDerWaalsContact O-CE2 3.28Å; F310-F312 WeakPolarHBondContact O-CE2 3.28Å; F310-F312 PolarHBondContact O-N 3.03Å
311Q88Confident85.7Confident144 Ų14485.9 Ų85.967%0.67342%0.423SS*.  trans-78105168.4-170.5171.38.700109.2T307 E308T307-Q311 PolarHBondContact O-N 3.21Å; E308-Q311 PolarHBondContact O-N 3.5Å
312F81.6Confident85.1Confident140 Ų14092.5 Ų92.561%0.61446%0.455SS*.  trans-93.1136.9175.9-56.9-75.3000109.8F310 Q314F310-F312 HydrophobicContact CB-CE2 4Å; F310-F312 HydrophobicContact CB-CZ 4.29Å; F310-F312 HydrophobicContact CD1-CZ 4.02Å; F310-F312 WeakPolarHBondContact O-CD2 3.46Å; F310-F312 VanDerWaalsContact O-CE2 3.28Å; F310-F312 WeakPolarHBondContact O-CE2 3.28Å; F310-F312 PolarHBondContact O-N 3.03Å; F312-Q314 PolarHBondContact O-N 3.33Å; F312-Q314 VanDerWaalsContact O-N 3.09Å
313N76.2Confident84.5Confident168 Ų16889.8 Ų89.890%0.89844%0.444SS*.  trans-64.8109.8164.4-66.7-19.7000106.9
314Q53.5Low84.3Confident260 Ų26094.4 Ų94.4100%1.21547%0.471SS*.  trans-790171.5-67.5-174.910.800110.4F312F312-Q314 PolarHBondContact O-N 3.33Å; F312-Q314 VanDerWaalsContact O-N 3.09Å

Retrieved 314 of 314 residues in 768.6 ms (Link to these results)

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