A0A077Z9Z2_TRITR Loading...

Malectin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.7Low81.7Confident157 Ų157124.6 Ų124.677%0.77359%0.593SS**  0114.30-170.5157.769.200108.4F5 R6M1-F5 HydrophobicContact CG-CD1 3.76Å; M1-F5 HydrophobicContact CG-CE1 4.49Å; M1-F5 HydrophobicContact SD-CD1 3.8Å; M1-F5 HydrophobicContact SD-CE1 4.01Å; M1-R6 HydrophobicContact CE-CG 4.01Å
2N80.5Confident82.1Confident128 Ų128125.8 Ų125.868%0.68459%0.594SS**  trans-64.2140.7-169.3-69.9-12.8000111.6Q4 F5 R6N2-Q4 PolarHBondContact O-N 3.19Å; N2-Q4 VanDerWaalsContact O-N 3.12Å; N2-F5 WeakPolarHBondContact O-CB 3.45Å; N2-F5 PolarHBondContact O-N 2.92Å; N2-R6 PolarHBondContact O-N 3.06Å
3R81.4Confident82Confident233 Ų233120.2 Ų120.288%0.87958%0.577SS**Hα-helixtrans-52.7-34.6179.5-157.5177.6-177.9-173.8-0.1112R6 M7R3-R6 PolarHBondContact O-N 3.19Å; R3-M7 PolarHBondContact O-N 2.93Å
4Q77.5Confident81.8Confident98 Ų98119.6 Ų119.646%0.45858%0.578SS.*Hα-helixtrans-62.4-43.2173.8-65-68.7-0.800113.4N2 R6 M7 L8 L266N2-Q4 PolarHBondContact O-N 3.19Å; N2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-R6 PolarHBondContact O-N 3.49Å; Q4-M7 PolarHBondContact O-N 3.12Å; Q4-L8 PolarHBondContact O-N 3.06Å; Q4-L266 PolarHBondContact NE2-O 3.42Å
5F83.1Confident81.5Confident112 Ų112115.9 Ų115.949%0.49157%0.565SS.*Hα-helixtrans-66.8-37177.9-173.5-101.2000112M1 N2 L8 L9M1-F5 HydrophobicContact CG-CD1 3.76Å; M1-F5 HydrophobicContact CG-CE1 4.49Å; M1-F5 HydrophobicContact SD-CD1 3.8Å; M1-F5 HydrophobicContact SD-CE1 4.01Å; N2-F5 WeakPolarHBondContact O-CB 3.45Å; N2-F5 PolarHBondContact O-N 2.92Å; F5-L8 PolarHBondContact O-N 3.48Å; F5-L9 HydrophobicContact CD1-CD1 3.82Å; F5-L9 HydrophobicContact CE1-CD1 3.45Å; F5-L9 VanDerWaalsContact CE1-CD1 3.45Å; F5-L9 HydrophobicContact CE1-CG 4.31Å; F5-L9 HydrophobicContact CZ-CD1 4.11Å; F5-L9 PolarHBondContact O-N 3.27Å
6R83.6Confident81Confident159 Ų159114.4 Ų114.460%0.656%0.559SS**Hα-helixtrans-64.2-41.4171.9-80.3-176.3169.3179.1-2.2112M1 N2 R3 Q4 L9 V10M1-R6 HydrophobicContact CE-CG 4.01Å; N2-R6 PolarHBondContact O-N 3.06Å; R3-R6 PolarHBondContact O-N 3.19Å; Q4-R6 PolarHBondContact O-N 3.49Å; R6-L9 PolarHBondContact O-N 2.87Å; R6-V10 VanDerWaalsContact O-CG2 3.31Å; R6-V10 WeakPolarHBondContact O-CG2 3.3Å; R6-V10 PolarHBondContact O-N 3.42Å
7M83.9Confident80.2Confident115 Ų115116.2 Ų116.257%0.56756%0.564SS**Hα-helixtrans-64.2-43.8177.5-161.8-167-153.300111.3R3 Q4 L9 V10 V11R3-M7 PolarHBondContact O-N 2.93Å; Q4-M7 PolarHBondContact O-N 3.12Å; M7-L9 PolarHBondContact O-N 3.34Å; M7-V10 PolarHBondContact O-N 3.49Å; M7-V11 WeakPolarHBondContact O-CG2 3.46Å; M7-V11 PolarHBondContact O-N 2.95Å
8L88.1Confident79.2Confident115 Ų115117.6 Ų117.660%0.60257%0.567SS**Hα-helixtrans-60.5-43176.2-167.177.6000112.1Q4 F5 V10 V11 F12Q4-L8 PolarHBondContact O-N 3.06Å; F5-L8 PolarHBondContact O-N 3.48Å; L8-V10 PolarHBondContact O-N 3.32Å; L8-V11 PolarHBondContact O-N 3.22Å; L8-F12 VanDerWaalsContact O-CB 3.26Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 3.28Å
9L87.5Confident78.1Confident89 Ų89119 Ų11947%0.46657%0.57SS.*Hα-helixtrans-63.3-38.7174.9-87.8166.2000112.8F5 R6 M7 S13F5-L9 HydrophobicContact CD1-CD1 3.82Å; F5-L9 HydrophobicContact CE1-CD1 3.45Å; F5-L9 VanDerWaalsContact CE1-CD1 3.45Å; F5-L9 HydrophobicContact CE1-CG 4.31Å; F5-L9 HydrophobicContact CZ-CD1 4.11Å; F5-L9 PolarHBondContact O-N 3.27Å; R6-L9 PolarHBondContact O-N 2.87Å; M7-L9 PolarHBondContact O-N 3.34Å; L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.2Å; L9-S13 PolarHBondContact O-N 2.86Å
10V86.8Confident76.9Confident88 Ų88120 Ų12053%0.53358%0.578SS.*Hα-helixtrans-68.4-44.1177170.30000110.8R6 M7 L8 S13 L14R6-V10 VanDerWaalsContact O-CG2 3.31Å; R6-V10 WeakPolarHBondContact O-CG2 3.3Å; R6-V10 PolarHBondContact O-N 3.42Å; M7-V10 PolarHBondContact O-N 3.49Å; L8-V10 PolarHBondContact O-N 3.32Å; V10-S13 PolarHBondContact O-N 3.5Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 PolarHBondContact O-N 3.46Å
11V87Confident75.7Confident77 Ų77118 Ų11847%0.46758%0.582SS.*Hα-helixtrans-63.3-45.2175.2174.50000110.3M7 L8 S13 L14 V15M7-V11 WeakPolarHBondContact O-CG2 3.46Å; M7-V11 PolarHBondContact O-N 2.95Å; L8-V11 PolarHBondContact O-N 3.22Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.2Å; V11-L14 PolarHBondContact O-N 2.84Å; V11-V15 HydrophobicContact CG1-CG2 4.12Å; V11-V15 WeakPolarHBondContact O-CB 3.38Å; V11-V15 WeakPolarHBondContact O-CG2 3.41Å; V11-V15 PolarHBondContact O-N 3.27Å
12F86Confident75.5Confident139 Ų139116 Ų11661%0.6157%0.574SS**Hα-helixtrans-60.8-42175.9-175.8-99.7000112L8 V15 L16L8-F12 VanDerWaalsContact O-CB 3.26Å; L8-F12 WeakPolarHBondContact O-CB 3.3Å; L8-F12 PolarHBondContact O-N 3.28Å; F12-V15 PolarHBondContact O-N 3.32Å; F12-L16 WeakPolarHBondContact O-CB 3.26Å; F12-L16 PolarHBondContact O-N 2.92Å
13S81.4Confident74.5Confident53 Ų53111.9 Ų111.937%0.37156%0.561SS.*Hα-helixtrans-66.8-38.9174.9-176.90000112.5L9 V10 V11 K17L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.2Å; L9-S13 PolarHBondContact O-N 2.86Å; V10-S13 PolarHBondContact O-N 3.5Å; V11-S13 VanDerWaalsContact C-N 3.34Å; V11-S13 PolarHBondContact O-N 3.2Å; S13-K17 VanDerWaalsContact O-CB 3.32Å; S13-K17 WeakPolarHBondContact O-CB 3.37Å; S13-K17 VanDerWaalsContact O-CG 3.23Å; S13-K17 WeakPolarHBondContact O-CG 3.31Å; S13-K17 PolarHBondContact O-N 3.04Å
14L79.1Confident74Confident112 Ų112102 Ų10259%0.58653%0.525SS*.Hα-helixtrans-65.9-44.2175-88.5162.3000111.6V10 V11 K17 F18V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 PolarHBondContact O-N 3.46Å; V11-L14 PolarHBondContact O-N 2.84Å; L14-K17 PolarHBondContact O-N 3.42Å; L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.41Å; L14-F18 PolarHBondContact O-N 2.84Å
15V76.5Confident74.2Confident64 Ų6499.6 Ų99.639%0.38853%0.527SS..Hα-helixtrans-64.3-45.2175.91710000110.1V11 F12 K17 F18 F19V11-V15 HydrophobicContact CG1-CG2 4.12Å; V11-V15 WeakPolarHBondContact O-CB 3.38Å; V11-V15 WeakPolarHBondContact O-CG2 3.41Å; V11-V15 PolarHBondContact O-N 3.27Å; F12-V15 PolarHBondContact O-N 3.32Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.42Å; V15-F18 WeakPolarHBondContact O-CB 2.93Å; V15-F18 PolarHBondContact O-N 2.82Å; V15-F18 VanDerWaalsContact O-N 3.12Å; V15-F19 HydrophobicContact CG1-CD2 3.59Å; V15-F19 HydrophobicContact CG1-CE2 3.42Å; V15-F19 VanDerWaalsContact CG1-CE2 3.42Å; V15-F19 WeakPolarHBondContact O-CD2 3.23Å; V15-F19 PolarHBondContact O-N 2.89Å
16L73.6Confident74.6Confident91 Ų9198.7 Ų98.748%0.47652%0.524SS..Hα-helixtrans-61.3-41.2175.8-173.267.7000111.8F12 L20F12-L16 WeakPolarHBondContact O-CB 3.26Å; F12-L16 PolarHBondContact O-N 2.92Å; L16-L20 PolarHBondContact O-N 2.86Å
17K67.7Low75.2Confident145 Ų14593.6 Ų93.663%0.6351%0.509SS*.Hα-helixtrans-66.9-36.3173.1-76-179.2-179.4-1670112.4S13 L14 V15 L20 A21S13-K17 VanDerWaalsContact O-CB 3.32Å; S13-K17 WeakPolarHBondContact O-CB 3.37Å; S13-K17 VanDerWaalsContact O-CG 3.23Å; S13-K17 WeakPolarHBondContact O-CG 3.31Å; S13-K17 PolarHBondContact O-N 3.04Å; L14-K17 PolarHBondContact O-N 3.42Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.42Å; K17-L20 PolarHBondContact O-N 3.31Å; K17-A21 VanDerWaalsContact O-CB 3.29Å; K17-A21 WeakPolarHBondContact O-CB 3.19Å; K17-A21 PolarHBondContact O-N 3.48Å
18F62Low75.8Confident141 Ų14189.7 Ų89.762%0.61849%0.49SS*.Hα-helixtrans-67.1-41177.2-168-94.4000111.2L14 V15 A21L14-F18 VanDerWaalsContact O-CB 3.26Å; L14-F18 WeakPolarHBondContact O-CB 3.41Å; L14-F18 PolarHBondContact O-N 2.84Å; V15-F18 WeakPolarHBondContact O-CB 2.93Å; V15-F18 PolarHBondContact O-N 2.82Å; V15-F18 VanDerWaalsContact O-N 3.12Å; F18-A21 PolarHBondContact O-N 3.35Å
19F58.5Low76.3Confident145 Ų14585.7 Ų85.764%0.63647%0.469SS*.Hα-helixtrans-65.4-37.2171.3-80.1-70.1000112.3V15 A21V15-F19 HydrophobicContact CG1-CD2 3.59Å; V15-F19 HydrophobicContact CG1-CE2 3.42Å; V15-F19 VanDerWaalsContact CG1-CE2 3.42Å; V15-F19 WeakPolarHBondContact O-CD2 3.23Å; V15-F19 PolarHBondContact O-N 2.89Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.38Å
20L53.3Low76.8Confident138 Ų13881.6 Ų81.672%0.72345%0.448SS*.Hα-helixtrans-66.5-30.1172.3-112.393.3000113.2L16 K17 L22L16-L20 PolarHBondContact O-N 2.86Å; K17-L20 PolarHBondContact O-N 3.31Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.43Å
21A51.6Low77.4Confident80 Ų8077.4 Ų77.466%0.66142%0.422SS*.THydrogen-bonded Turntrans-80.5-6.3-17400000114.4K17 F18 F19 G23K17-A21 VanDerWaalsContact O-CB 3.29Å; K17-A21 WeakPolarHBondContact O-CB 3.19Å; K17-A21 PolarHBondContact O-N 3.48Å; F18-A21 PolarHBondContact O-N 3.35Å; F19-A21 VanDerWaalsContact C-N 3.3Å; F19-A21 PolarHBondContact O-N 3.38Å; A21-G23 VanDerWaalsContact C-N 3.28Å
22L56.9Low77.9Confident115 Ų11573.7 Ų73.760%0.60240%0.4SS*.THydrogen-bonded Turntrans-82.2-3.7175.8-74.9164000113.4L20L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.43Å
23G58.7Low78.5Confident40 Ų4067.1 Ų67.141%0.41237%0.371SS..SBendtrans-69.3143.7178.300000112.8A21 G25A21-G23 VanDerWaalsContact C-N 3.28Å; G23-G25 PolarHBondContact O-N 3.35Å
24I71.2Confident79.3Confident25 Ų2565.2 Ų65.213%0.12836%0.36CS..SBendtrans-72.538.5-179.159153.6000114.2I27 Y42 I44 Y188 V190 P198I24-I27 HydrophobicContact CD1-CD1 4.11Å; I24-I27 HydrophobicContact CG1-CD1 4.06Å; I24-Y42 HydrophobicContact CG2-CD1 4.26Å; I24-Y42 HydrophobicContact CG2-CG 4.25Å; I24-I44 HydrophobicContact CD1-CD1 3.32Å; I24-I44 HydrophobicContact CD1-CG1 3.96Å; I24-I44 HydrophobicContact CG1-CD1 3.95Å; I24-I44 HydrophobicContact CG1-CG1 4.01Å; I24-Y188 HydrophobicContact CD1-CE2 4Å; I24-V190 WeakPolarHBondContact O-CG2 3.36Å; I24-P198 HydrophobicContact CB-CG 4.37Å; I24-P198 HydrophobicContact CD1-CG 4.3Å; I24-P198 HydrophobicContact CG2-CG 3.53Å
25G80.8Confident80.1Confident49 Ų4960.2 Ų60.251%0.50534%0.336SS..SBendtrans94.5-169.4-172.100000113.5G23 I27G23-G25 PolarHBondContact O-N 3.35Å; G25-I27 PolarHBondContact O-N 2.81Å
26E93Very high81.1Confident92 Ų9260.2 Ų60.243%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-82.1109.2-178.6-178.4-175.8-170.700110.3I28 V190 R191E26-I28 HydrophobicContact CG-CD1 4.12Å; E26-I28 PolarHBondContact O-N 3.48Å; E26-V190 WeakPolarHBondContact O-CA 3.17Å; E26-R191 HydrophobicContact CB-CB 4.09Å; E26-R191 PolarHBondContact O-N 2.78Å; E26-R191 WeakPolarHBondContact OE2-CD 3.35Å; E26-R191 IonicContact OE2-NH1 3.87Å; E26-R191 PolarHBondContact OE2-NH1 2.78Å; E26-R191 VanDerWaalsContact OE2-NH1 3.09Å
27I96Very high82.3Confident53 Ų5361 Ų6127%0.27234%0.343SS..EExtended strand (participates in β ladder)trans-77.3120.5172.5-55.3-61.4000109I24 G25 A30 I44 Y188 V190I24-I27 HydrophobicContact CD1-CD1 4.11Å; I24-I27 HydrophobicContact CG1-CD1 4.06Å; G25-I27 PolarHBondContact O-N 2.81Å; I27-A30 HydrophobicContact CG2-CB 4Å; I27-I44 HydrophobicContact CD1-CD1 4.12Å; I27-I44 HydrophobicContact CD1-CG1 4Å; I27-I44 HydrophobicContact CD1-CG2 4.18Å; I27-I44 HydrophobicContact CG1-CG1 4.28Å; I27-I44 HydrophobicContact CG1-CG2 4.13Å; I27-I44 HydrophobicContact CG2-CG2 4.18Å; I27-Y188 HydrophobicContact CD1-CD2 4.05Å; I27-Y188 HydrophobicContact CD1-CE2 4.34Å; I27-V190 HydrophobicContact CD1-CB 3.92Å; I27-V190 HydrophobicContact CD1-CG2 3.9Å
28I97Very high83.7Confident33 Ų3356 Ų5617%0.16932%0.321CS..EExtended strand (participates in β ladder)trans-82.4-44.9-179.8-56.4-58000111E26 R93 I94 P95 Y100 V189 R191E26-I28 HydrophobicContact CG-CD1 4.12Å; E26-I28 PolarHBondContact O-N 3.48Å; I28-R93 WeakPolarHBondContact CG2-O 3.23Å; I28-I94 HydrophobicContact CG2-CD1 4.05Å; I28-P95 HydrophobicContact CD1-CG 4.49Å; I28-Y100 HydrophobicContact CD1-CE1 3.81Å; I28-Y100 HydrophobicContact CG1-CD1 3.89Å; I28-Y100 HydrophobicContact CG1-CE1 3.64Å; I28-V189 HydrophobicContact CB-CB 4.23Å; I28-V189 HydrophobicContact CB-CG1 4.07Å; I28-V189 HydrophobicContact CG1-CG1 4.16Å; I28-V189 PolarHBondContact N-O 2.93Å; I28-R191 HydrophobicContact CD1-CB 4.38Å
29D97.7Very high85.4Confident30 Ų3053.1 Ų53.116%0.1632%0.316CS..EExtended strand (participates in β ladder)trans-159.4149.6173.6-162.69.1000109.1R47 I92 Y188 V189D29-R47 IonicContact OD1-CZ 2.64Å; D29-R47 IonicContact OD1-NE 2.78Å; D29-R47 PolarHBondContact OD1-NE 3Å; D29-R47 IonicContact OD1-NH2 3.6Å; D29-R47 IonicContact OD2-CZ 3.59Å; D29-R47 IonicContact OD2-NE 2.76Å; D29-R47 IonicContact OD2-NH2 3.55Å; D29-R47 PolarHBondContact OD2-NH2 3.23Å; D29-I92 HydrophobicContact CB-CG2 3.71Å; D29-Y188 CarbonylContact O-C 3.59Å; D29-Y188 WeakPolarHBondContact O-CA 3.32Å; D29-Y188 WeakPolarHBondContact O-CB 3.23Å; D29-V189 PolarHBondContact O-N 3.21Å
30A98.3Very high87.1Confident3 Ų346.7 Ų46.73%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-147.3128.6178.300000109.5I27 I44 Y46 R47 L187I27-A30 HydrophobicContact CG2-CB 4Å; A30-I44 HydrophobicContact CB-CG2 3.77Å; A30-Y46 HydrophobicContact CB-CD1 3.76Å; A30-Y46 HydrophobicContact CB-CE1 4.08Å; A30-Y46 HydrophobicContact CB-CG 4.05Å; A30-Y46 WeakPolarHBondContact O-CA 3.35Å; A30-R47 WeakPolarHBondContact O-CG 3.42Å; A30-R47 PolarHBondContact O-N 2.89Å; A30-L187 CarbonylContact C-O 3.53Å; A30-L187 WeakPolarHBondContact CA-O 3.24Å
31I98.6Very high89.1Confident0 Ų044 Ų440%027%0.271CS..EExtended strand (participates in β ladder)trans-128.2127-171.1-55.4176.2000109.7R47 P50 Y90 A186 L187I31-R47 VanDerWaalsContact CD1-NH2 3.33Å; I31-P50 HydrophobicContact CD1-CG 4.31Å; I31-Y90 HydrophobicContact CD1-CD1 3.58Å; I31-Y90 HydrophobicContact CD1-CE1 4.16Å; I31-Y90 HydrophobicContact CD1-CG 3.97Å; I31-Y90 HydrophobicContact CG2-CD1 4.4Å; I31-Y90 HydrophobicContact CG2-CE1 3.9Å; I31-A186 VanDerWaalsContact O-CA 3.28Å; I31-A186 WeakPolarHBondContact O-CA 3.38Å; I31-A186 WeakPolarHBondContact O-CB 3.21Å; I31-L187 HydrophobicContact CB-CG 4.24Å; I31-L187 HydrophobicContact CD1-CD1 4.17Å; I31-L187 HydrophobicContact CG1-CD1 4.44Å; I31-L187 PolarHBondContact N-O 3.49Å; I31-L187 PolarHBondContact O-N 2.83Å
32N98.5Very high91Very high0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-89.697.4169.3-174.911.2000109.5G34 G35 S36 R47 D49 L77 T80N32-G34 PolarHBondContact O-N 3.32Å; N32-G35 PolarHBondContact O-N 2.83Å; N32-G35 VanDerWaalsContact O-N 3.11Å; N32-S36 WeakPolarHBondContact CB-O 3.25Å; N32-S36 PolarHBondContact ND2-O 3.43Å; N32-R47 PolarHBondContact N-O 2.87Å; N32-D49 WeakPolarHBondContact O-CB 3.24Å; N32-L77 HydrophobicContact CB-CD2 4.42Å; N32-T80 PolarHBondContact OD1-OG1 2.88Å
33A98.5Very high92.7Very high0 Ų041.3 Ų41.30%025%0.252CS..THydrogen-bonded Turntrans-71.1126.3-172.600000111.4G35 T80 E81 R82 Y90 V184 N185A33-G35 PolarHBondContact O-N 3.22Å; A33-T80 CarbonylContact O-C 3.57Å; A33-E81 CarbonylContact O-C 3.55Å; A33-E81 VanDerWaalsContact O-C 3.24Å; A33-E81 VanDerWaalsContact O-CA 3.26Å; A33-E81 WeakPolarHBondContact O-CA 3.26Å; A33-E81 PolarHBondContact O-N 2.88Å; A33-R82 HydrophobicContact CB-CB 4.05Å; A33-Y90 VanDerWaalsContact CB-OH 3.29Å; A33-Y90 WeakPolarHBondContact CB-OH 3.21Å; A33-V184 HydrophobicContact CB-CG1 3.72Å; A33-V184 WeakPolarHBondContact CB-O 3.18Å; A33-N185 WeakPolarHBondContact CA-O 3.44Å; A33-N185 VanDerWaalsContact CB-O 3.31Å; A33-N185 WeakPolarHBondContact CB-O 3.44Å; A33-N185 PolarHBondContact N-O 2.88Å
34G97Very high94.5Very high13 Ų1339.5 Ų39.513%0.13423%0.233CC..THydrogen-bonded Turntrans69.24.3-172.900000114.7N32 D49 E81N32-G34 PolarHBondContact O-N 3.32Å; G34-D49 PolarHBondContact N-OD2 3.3Å; G34-E81 WeakPolarHBondContact CA-O 3.29Å
35G97Very high95.7Very high8 Ų842.3 Ų42.38%0.08226%0.255CS..SBendtrans-119.6171.8-177.900000113.5N32 A33 D49N32-G35 PolarHBondContact O-N 2.83Å; N32-G35 VanDerWaalsContact O-N 3.11Å; A33-G35 PolarHBondContact O-N 3.22Å; G35-D49 PolarHBondContact O-N 3.47Å
36S97.7Very high96.5Very high63 Ų6340 Ų4044%0.44123%0.231SC..  trans-81.4176.9172.359.20000111.6N32 F38N32-S36 WeakPolarHBondContact CB-O 3.25Å; N32-S36 PolarHBondContact ND2-O 3.43Å; S36-F38 PolarHBondContact O-N 2.9Å
37D98.1Very high96.7Very high109 Ų10939.6 Ų39.658%0.58323%0.225SC*.  trans-50140.8170.8-59.8-55.5000111.8Y46 R47 E48D37-Y46 CarbonylContact C-O 3.53Å; D37-Y46 WeakPolarHBondContact CA-O 3.44Å; D37-R47 WeakPolarHBondContact OD1-CA 3.47Å; D37-E48 PolarHBondContact OD1-N 2.84Å
38F97.7Very high96.8Very high38 Ų3841.3 Ų41.317%0.16723%0.232CC..EExtended strand (participates in β ladder)trans-152.3145.8-178.4-179-94000110.7S36 D40 Y46 E73 L76 L77S36-F38 PolarHBondContact O-N 2.9Å; F38-D40 HydrophobicContact CE1-CB 4.02Å; F38-Y46 HydrophobicContact CD1-CD2 4.36Å; F38-Y46 PolarHBondContact N-O 2.85Å; F38-Y46 WeakPolarHBondContact O-CA 3.2Å; F38-Y46 PolarHBondContact O-N 3.42Å; F38-E73 VanDerWaalsContact CZ-O 3.26Å; F38-E73 WeakPolarHBondContact CZ-O 3.18Å; F38-L76 HydrophobicContact CD2-CB 4.15Å; F38-L76 HydrophobicContact CD2-CD2 3.63Å; F38-L76 HydrophobicContact CD2-CG 4.42Å; F38-L76 HydrophobicContact CE2-CB 3.95Å; F38-L76 HydrophobicContact CE2-CD2 4.17Å; F38-L76 HydrophobicContact CG-CD2 4.38Å; F38-L77 HydrophobicContact CB-CD2 4.4Å; F38-L77 HydrophobicContact CD1-CD1 3.74Å; F38-L77 HydrophobicContact CD1-CD2 3.52Å; F38-L77 HydrophobicContact CD1-CG 3.46Å; F38-L77 VanDerWaalsContact CD1-CG 3.46Å; F38-L77 HydrophobicContact CE1-CD1 3.56Å; F38-L77 HydrophobicContact CE1-CD2 4.12Å; F38-L77 HydrophobicContact CE1-CG 3.5Å; F38-L77 VanDerWaalsContact CE1-CG 3.5Å; F38-L77 HydrophobicContact CG-CD2 4.17Å; F38-L77 HydrophobicContact CG-CG 4.35Å; F38-L77 HydrophobicContact CZ-CG 4.43Å
39T96.7Very high96.9Very high81 Ų8139.9 Ų39.950%0.49723%0.225SC..EExtended strand (participates in β ladder)trans-120.3126.5172.3-53.70000109.1I44T39-I44 VanDerWaalsContact CA-O 3.29Å; T39-I44 WeakPolarHBondContact CA-O 3.34Å
40D95.5Very high96.9Very high10 Ų1041.8 Ų41.85%0.05324%0.239CC..  trans-80.8172.9179.780.3-1.6000112.7F38 Y42 G43 I44 Y46 D74 L77F38-D40 HydrophobicContact CE1-CB 4.02Å; D40-Y42 PolarHBondContact O-N 3.12Å; D40-Y42 VanDerWaalsContact O-N 3.11Å; D40-Y42 WeakPolarHBondContact OD1-CA 3.31Å; D40-Y42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Y42 PolarHBondContact OD1-N 2.99Å; D40-G43 PolarHBondContact O-N 2.79Å; D40-G43 PolarHBondContact OD1-N 2.92Å; D40-I44 PolarHBondContact N-O 3.43Å; D40-I44 VanDerWaalsContact N-O 3.09Å; D40-I44 WeakPolarHBondContact OD1-CB 3.2Å; D40-I44 PolarHBondContact OD1-N 3.3Å; D40-I44 VanDerWaalsContact OD2-CD1 3.23Å; D40-I44 WeakPolarHBondContact OD2-CD1 3.08Å; D40-I44 WeakPolarHBondContact OD2-CG1 3.38Å; D40-Y46 HydrophobicContact CB-CE2 4.06Å; D40-D74 VanDerWaalsContact CA-OD1 3.28Å; D40-D74 WeakPolarHBondContact CA-OD1 3.47Å; D40-D74 VanDerWaalsContact CB-OD1 3.31Å; D40-D74 WeakPolarHBondContact CB-OD1 3.31Å; D40-L77 HydrophobicContact CB-CD1 3.94Å
41Q93.9Very high96.8Very high81 Ų8142.3 Ų42.338%0.37924%0.241SC..THydrogen-bonded Turntrans-61-18.1178.773.2-172.7-10.200114.1S71 D74Q41-S71 PolarHBondContact OE1-OG 3.37Å; Q41-D74 VanDerWaalsContact CD-OD2 3.29Å; Q41-D74 VanDerWaalsContact CG-OD2 3.28Å; Q41-D74 WeakPolarHBondContact CG-OD2 3.48Å; Q41-D74 PolarHBondContact N-OD1 3.5Å; Q41-D74 PolarHBondContact NE2-OD2 3.49Å
42Y92.4Very high96.4Very high90 Ų9047.9 Ų47.935%0.35327%0.267SS..THydrogen-bonded Turntrans-93.10.9177.5-56.6-69.4000112.5I24 D40 P198I24-Y42 HydrophobicContact CG2-CD1 4.26Å; I24-Y42 HydrophobicContact CG2-CG 4.25Å; D40-Y42 PolarHBondContact O-N 3.12Å; D40-Y42 VanDerWaalsContact O-N 3.11Å; D40-Y42 WeakPolarHBondContact OD1-CA 3.31Å; D40-Y42 WeakPolarHBondContact OD1-CB 3.31Å; D40-Y42 PolarHBondContact OD1-N 2.99Å; Y42-P198 HydrophobicContact CD1-CG 4.09Å; Y42-P198 HydrophobicContact CD2-CB 4.43Å; Y42-P198 HydrophobicContact CD2-CG 4.18Å; Y42-P198 HydrophobicContact CE1-CB 4.01Å; Y42-P198 HydrophobicContact CE1-CG 3.94Å; Y42-P198 HydrophobicContact CE2-CB 3.8Å; Y42-P198 HydrophobicContact CE2-CG 4.03Å; Y42-P198 HydrophobicContact CG-CG 4.2Å
43G92.9Very high96.1Very high49 Ų4951.7 Ų51.751%0.50531%0.307SS..  trans8211-179.200000114.5D40 S45D40-G43 PolarHBondContact O-N 2.79Å; D40-G43 PolarHBondContact OD1-N 2.92Å; G43-S45 PolarHBondContact O-N 3.32Å
44I95.2Very high95.8Very high3 Ų355.6 Ų55.62%0.01533%0.334CS..  trans-71.9118.7174.6-52.4176.6000108.5I24 I27 A30 T39 D40 Y46 Y188I24-I44 HydrophobicContact CD1-CD1 3.32Å; I24-I44 HydrophobicContact CD1-CG1 3.96Å; I24-I44 HydrophobicContact CG1-CD1 3.95Å; I24-I44 HydrophobicContact CG1-CG1 4.01Å; I27-I44 HydrophobicContact CD1-CD1 4.12Å; I27-I44 HydrophobicContact CD1-CG1 4Å; I27-I44 HydrophobicContact CD1-CG2 4.18Å; I27-I44 HydrophobicContact CG1-CG1 4.28Å; I27-I44 HydrophobicContact CG1-CG2 4.13Å; I27-I44 HydrophobicContact CG2-CG2 4.18Å; A30-I44 HydrophobicContact CB-CG2 3.77Å; T39-I44 VanDerWaalsContact CA-O 3.29Å; T39-I44 WeakPolarHBondContact CA-O 3.34Å; D40-I44 PolarHBondContact N-O 3.43Å; D40-I44 VanDerWaalsContact N-O 3.09Å; D40-I44 WeakPolarHBondContact OD1-CB 3.2Å; D40-I44 PolarHBondContact OD1-N 3.3Å; D40-I44 VanDerWaalsContact OD2-CD1 3.23Å; D40-I44 WeakPolarHBondContact OD2-CD1 3.08Å; D40-I44 WeakPolarHBondContact OD2-CG1 3.38Å; I44-Y46 HydrophobicContact CB-CD2 4.35Å; I44-Y46 HydrophobicContact CB-CE2 3.82Å; I44-Y46 HydrophobicContact CG2-CD2 4.01Å; I44-Y46 HydrophobicContact CG2-CE2 3.62Å; I44-Y46 WeakPolarHBondContact O-CD2 3.09Å; I44-Y46 PolarHBondContact O-N 2.88Å; I44-Y188 HydrophobicContact CD1-CD2 4.31Å; I44-Y188 HydrophobicContact CD1-CE1 4.26Å; I44-Y188 HydrophobicContact CD1-CE2 3.99Å
45S96.6Very high95.8Very high83 Ų8358.8 Ų58.858%0.5835%0.347SS*.EExtended strand (participates in β ladder)trans-87.5100.4175.2-60.60000110.5G43G43-S45 PolarHBondContact O-N 3.32Å
46Y98.3Very high95.8Very high2 Ų259.5 Ų59.51%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-78.9123.6170.4-65.6-97.9000109.5A30 D37 F38 D40 I44 L77 K105 A186 Y188A30-Y46 HydrophobicContact CB-CD1 3.76Å; A30-Y46 HydrophobicContact CB-CE1 4.08Å; A30-Y46 HydrophobicContact CB-CG 4.05Å; A30-Y46 WeakPolarHBondContact O-CA 3.35Å; D37-Y46 CarbonylContact C-O 3.53Å; D37-Y46 WeakPolarHBondContact CA-O 3.44Å; F38-Y46 HydrophobicContact CD1-CD2 4.36Å; F38-Y46 PolarHBondContact N-O 2.85Å; F38-Y46 WeakPolarHBondContact O-CA 3.2Å; F38-Y46 PolarHBondContact O-N 3.42Å; D40-Y46 HydrophobicContact CB-CE2 4.06Å; I44-Y46 HydrophobicContact CB-CD2 4.35Å; I44-Y46 HydrophobicContact CB-CE2 3.82Å; I44-Y46 HydrophobicContact CG2-CD2 4.01Å; I44-Y46 HydrophobicContact CG2-CE2 3.62Å; I44-Y46 WeakPolarHBondContact O-CD2 3.09Å; I44-Y46 PolarHBondContact O-N 2.88Å; Y46-L77 HydrophobicContact CD1-CD2 4.14Å; Y46-L77 HydrophobicContact CD2-CD1 3.94Å; Y46-L77 HydrophobicContact CD2-CD2 3.88Å; Y46-L77 HydrophobicContact CE1-CD2 4.45Å; Y46-L77 HydrophobicContact CE2-CD1 3.51Å; Y46-L77 HydrophobicContact CE2-CD2 4.18Å; Y46-L77 HydrophobicContact CG-CD2 3.86Å; Y46-K105 HydrophobicContact CE1-CD 4.41Å; Y46-A186 HydrophobicContact CD1-CB 4.22Å; Y46-A186 HydrophobicContact CE1-CB 4.12Å; Y46-Y188 AromaticContact CE1-CD1 3.88Å; Y46-Y188 HydrophobicContact CE1-CD1 3.88Å; Y46-Y188 HydrophobicContact CE1-CG 4.39Å; Y46-Y188 AromaticContact CZ-CD1 3.8Å; Y46-Y188 WeakPolarHBondContact OH-CD1 3.09Å; Y46-Y188 WeakPolarHBondContact OH-CE1 3.33Å
47R97.9Very high95.8Very high82 Ų8259.6 Ų59.631%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-79.6156.4174.672.8-162.5168.674.8-4.2111.7D29 A30 I31 N32 D37D29-R47 IonicContact OD1-CZ 2.64Å; D29-R47 IonicContact OD1-NE 2.78Å; D29-R47 PolarHBondContact OD1-NE 3Å; D29-R47 IonicContact OD1-NH2 3.6Å; D29-R47 IonicContact OD2-CZ 3.59Å; D29-R47 IonicContact OD2-NE 2.76Å; D29-R47 IonicContact OD2-NH2 3.55Å; D29-R47 PolarHBondContact OD2-NH2 3.23Å; A30-R47 WeakPolarHBondContact O-CG 3.42Å; A30-R47 PolarHBondContact O-N 2.89Å; I31-R47 VanDerWaalsContact CD1-NH2 3.33Å; N32-R47 PolarHBondContact N-O 2.87Å; D37-R47 WeakPolarHBondContact OD1-CA 3.47Å
48E98.2Very high95.8Very high89 Ų8956.5 Ų56.542%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-50.1144.3169177.2172.1-151.600111.1D37 P50D37-E48 PolarHBondContact OD1-N 2.84Å; E48-P50 WeakPolarHBondContact O-CD 3.38Å; E48-P50 VanDerWaalsContact O-N 3.15Å
49D98.3Very high95.8Very high4 Ų455.7 Ų55.72%0.02134%0.34CS..PPolyproline II helixtrans-55.7116.4179.8-168.2-27.9000112.6N32 G34 G35 M51 H52 R82 Y90N32-D49 WeakPolarHBondContact O-CB 3.24Å; G34-D49 PolarHBondContact N-OD2 3.3Å; G35-D49 PolarHBondContact O-N 3.47Å; D49-M51 PolarHBondContact O-N 3.46Å; D49-M51 VanDerWaalsContact O-N 3.1Å; D49-M51 WeakPolarHBondContact OD1-CB 3.33Å; D49-M51 PolarHBondContact OD1-N 3.45Å; D49-H52 VanDerWaalsContact O-CB 3.31Å; D49-H52 WeakPolarHBondContact O-CB 3.29Å; D49-H52 PolarHBondContact O-N 3.09Å; D49-R82 VanDerWaalsContact CG-NH2 3.25Å; D49-R82 IonicContact OD1-NE 2.64Å; D49-R82 IonicContact OD1-NH2 2.72Å; D49-R82 IonicContact OD2-CZ 3.73Å; D49-R82 IonicContact OD2-NE 3.09Å; D49-R82 PolarHBondContact OD2-NE 3.32Å; D49-R82 IonicContact OD2-NH2 3.54Å; D49-R82 PolarHBondContact OD2-NH2 3.22Å; D49-Y90 WeakPolarHBondContact OD1-CE1 3.11Å; D49-Y90 PolarHBondContact OD1-OH 3.26Å; D49-Y90 PolarHBondContact OD2-OH 2.89Å
50P97.2Very high95.8Very high69 Ų6956.1 Ų56.145%0.44834%0.34SS..THydrogen-bonded Turntrans-65.1-16.818027.5-35.2000113.9I31 E48 H52 Y90I31-P50 HydrophobicContact CD1-CG 4.31Å; E48-P50 WeakPolarHBondContact O-CD 3.38Å; E48-P50 VanDerWaalsContact O-N 3.15Å; P50-H52 VanDerWaalsContact C-N 3.34Å; P50-Y90 HydrophobicContact CG-CD1 3.88Å; P50-Y90 HydrophobicContact CG-CE1 3.89Å
51M96.3Very high95.9Very high15 Ų1559.1 Ų59.17%0.07435%0.351CS..THydrogen-bonded Turntrans-92.78.5176.5-64.7-169.6-75.100112.8D49 G53 S54 I55 R82 F88 Y90D49-M51 PolarHBondContact O-N 3.46Å; D49-M51 VanDerWaalsContact O-N 3.1Å; D49-M51 WeakPolarHBondContact OD1-CB 3.33Å; D49-M51 PolarHBondContact OD1-N 3.45Å; M51-G53 PolarHBondContact O-N 2.86Å; M51-S54 WeakPolarHBondContact CA-OG 3.47Å; M51-S54 PolarHBondContact O-N 3.32Å; M51-S54 PolarHBondContact O-OG 2.81Å; M51-I55 HydrophobicContact SD-CB 3.92Å; M51-I55 HydrophobicContact SD-CD1 4.43Å; M51-I55 HydrophobicContact SD-CG2 4.2Å; M51-R82 VanDerWaalsContact CE-CD 3.46Å; M51-F88 HydrophobicContact CE-CD2 3.59Å; M51-F88 HydrophobicContact CE-CE2 4.05Å; M51-F88 HydrophobicContact SD-CD2 4.5Å; M51-Y90 HydrophobicContact CE-CD1 3.75Å; M51-Y90 HydrophobicContact CE-CD2 4.13Å; M51-Y90 HydrophobicContact CE-CE1 3.19Å; M51-Y90 HydrophobicContact CE-CE2 3.65Å; M51-Y90 HydrophobicContact CE-CG 4.19Å; M51-Y90 WeakPolarHBondContact CE-OH 3.25Å; M51-Y90 HydrophobicContact CG-CE1 4.32Å; M51-Y90 HydrophobicContact SD-CE1 4.49Å
52H90.7Very high96.1Very high116 Ų11655.2 Ų55.254%0.53733%0.333SS..THydrogen-bonded Turntrans-52.1127.2174.1-169.591.7000111.1D49 P50 S54D49-H52 VanDerWaalsContact O-CB 3.31Å; D49-H52 WeakPolarHBondContact O-CB 3.29Å; D49-H52 PolarHBondContact O-N 3.09Å; P50-H52 VanDerWaalsContact C-N 3.34Å; H52-S54 VanDerWaalsContact C-N 3.29Å; H52-S54 PolarHBondContact O-N 2.64Å
53G91Very high96.3Very high81 Ų8157.2 Ų57.284%0.83534%0.34SS*.THydrogen-bonded Turntrans71.59.2-179.200000116.6M51M51-G53 PolarHBondContact O-N 2.86Å
54S93.6Very high96.5Very high81 Ų8163.4 Ų63.457%0.56635%0.348SS*.SBendtrans-122.8-81.7-178.8590000114.2M51 H52M51-S54 WeakPolarHBondContact CA-OG 3.47Å; M51-S54 PolarHBondContact O-N 3.32Å; M51-S54 PolarHBondContact O-OG 2.81Å; H52-S54 VanDerWaalsContact C-N 3.29Å; H52-S54 PolarHBondContact O-N 2.64Å
55I96Very high96.6Very high81 Ų8165.3 Ų65.342%0.41536%0.356SS..SBendtrans-103.8131.9-173.2-62.4175.6000110.1M51 R82 F88M51-I55 HydrophobicContact SD-CB 3.92Å; M51-I55 HydrophobicContact SD-CD1 4.43Å; M51-I55 HydrophobicContact SD-CG2 4.2Å; I55-R82 PolarHBondContact O-NH1 3.03Å; I55-F88 HydrophobicContact CG2-CB 4.01Å
56G97Very high96.6Very high23 Ų2366.6 Ų66.624%0.23736%0.356CS..SBendtrans70.7-169.9179.300000114.1Y83 H84G56-Y83 CarbonylContact C-O 3.54Å; G56-Y83 WeakPolarHBondContact CA-O 3.4Å; G56-H84 VanDerWaalsContact CA-ND1 3.33Å; G56-H84 WeakPolarHBondContact CA-ND1 3.48Å
57V98Very high96.6Very high65 Ų6566.6 Ų66.639%0.39436%0.356SS..EExtended strand (participates in β ladder)trans-122.6127.4-174.8-178.80000108.7R82 Y83V57-R82 WeakPolarHBondContact O-CA 3.48Å; V57-Y83 HydrophobicContact CB-CD1 4.25Å; V57-Y83 HydrophobicContact CB-CD2 4.49Å; V57-Y83 HydrophobicContact CB-CE1 3.7Å; V57-Y83 HydrophobicContact CB-CE2 3.97Å; V57-Y83 HydrophobicContact CG1-CE1 3.71Å; V57-Y83 HydrophobicContact CG2-CE2 4.12Å; V57-Y83 PolarHBondContact N-O 3.25Å; V57-Y83 PolarHBondContact O-N 3.39Å
58A98.2Very high96.5Very high43 Ų4365.3 Ų65.336%0.35536%0.36SS..EExtended strand (participates in β ladder)trans-80.4133.8166.800000109.1E81A58-E81 CarbonylContact C-O 3.26Å; A58-E81 WeakPolarHBondContact CA-O 3.26Å
59S97.7Very high96.5Very high21 Ų2163 Ų6315%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-135.8137.3-178.7160.40000110.1Y61 T80 E81S59-Y61 WeakPolarHBondContact OG-CB 3.33Å; S59-Y61 PolarHBondContact OG-N 3.3Å; S59-T80 CarbonylContact O-C 3.55Å; S59-T80 WeakPolarHBondContact O-CA 3.49Å; S59-E81 VanDerWaalsContact CB-OE1 3.26Å; S59-E81 WeakPolarHBondContact CB-OE1 3.28Å; S59-E81 PolarHBondContact N-O 2.89Å; S59-E81 PolarHBondContact O-N 3.08Å; S59-E81 PolarHBondContact OG-OE1 3.17Å
60D97Very high96.3Very high91 Ų9163.9 Ų63.949%0.48735%0.352SS..  trans-111.418.5173.169.5-18.2000111.6G62 R63 T80D60-G62 PolarHBondContact O-N 2.79Å; D60-R63 HydrophobicContact CB-CG 4.23Å; D60-R63 VanDerWaalsContact O-CB 3.31Å; D60-R63 WeakPolarHBondContact O-CB 3.48Å; D60-R63 WeakPolarHBondContact O-CG 3.47Å; D60-R63 PolarHBondContact O-N 2.87Å; D60-T80 HydrophobicContact CB-CG2 4.35Å
61Y97.6Very high96.2Very high72 Ų7261.9 Ų61.928%0.28234%0.34SS..G310 helixtrans-53.2-32-178.5-169.9-79.6000112.2S59 R63 R64 F65 V109 Y110S59-Y61 WeakPolarHBondContact OG-CB 3.33Å; S59-Y61 PolarHBondContact OG-N 3.3Å; Y61-R63 PolarHBondContact O-N 2.85Å; Y61-R64 PolarHBondContact O-N 2.97Å; Y61-F65 HydrophobicContact CD1-CE2 4.04Å; Y61-F65 AromaticContact CE1-CE2 3.77Å; Y61-F65 HydrophobicContact CE1-CE2 3.77Å; Y61-F65 HydrophobicContact CE1-CZ 4.23Å; Y61-V109 HydrophobicContact CD1-CB 4.41Å; Y61-V109 HydrophobicContact CD1-CG2 4.03Å; Y61-Y110 HydrophobicContact CE1-CD2 4.32Å; Y61-Y110 HydrophobicContact CE2-CD2 4.16Å; Y61-Y110 HydrophobicContact CE2-CE2 4.4Å
62G97.6Very high96.1Very high0 Ų066.7 Ų66.70%037%0.373CS..G310 helixtrans-63-22.5178.100000114.4D60 R64 F65 Q79D60-G62 PolarHBondContact O-N 2.79Å; G62-R64 PolarHBondContact O-N 2.81Å; G62-F65 PolarHBondContact O-N 3.32Å; G62-Q79 VanDerWaalsContact CA-O 3.29Å; G62-Q79 WeakPolarHBondContact CA-O 3.31Å; G62-Q79 PolarHBondContact N-O 3.01Å
63R97.4Very high96.4Very high132 Ų13267.7 Ų67.750%0.49838%0.377SS..G310 helixtrans-61.2-12.8178.4-68.8-173.6177.2-176.30.4114.3D60 Y61 F65 Q79D60-R63 HydrophobicContact CB-CG 4.23Å; D60-R63 VanDerWaalsContact O-CB 3.31Å; D60-R63 WeakPolarHBondContact O-CB 3.48Å; D60-R63 WeakPolarHBondContact O-CG 3.47Å; D60-R63 PolarHBondContact O-N 2.87Å; Y61-R63 PolarHBondContact O-N 2.85Å; R63-F65 PolarHBondContact O-N 3.11Å; R63-Q79 HydrophobicContact CG-CB 3.89Å
64R97.1Very high96.6Very high178 Ų17864 Ų6467%0.67234%0.339SS*.G310 helixtrans-76.8-9.3173.9-63.7179179.4136.43.4113.5Y61 G62Y61-R64 PolarHBondContact O-N 2.97Å; G62-R64 PolarHBondContact O-N 2.81Å
65F96.5Very high96.9Very high43 Ų4361 Ų6119%0.18932%0.315CS..SBendtrans-124.3142.8-175-52.6-81.8000110.3Y61 G62 R63 I67 Q79 V109 A141Y61-F65 HydrophobicContact CD1-CE2 4.04Å; Y61-F65 AromaticContact CE1-CE2 3.77Å; Y61-F65 HydrophobicContact CE1-CE2 3.77Å; Y61-F65 HydrophobicContact CE1-CZ 4.23Å; G62-F65 PolarHBondContact O-N 3.32Å; R63-F65 PolarHBondContact O-N 3.11Å; F65-I67 HydrophobicContact CB-CD1 4.22Å; F65-Q79 PolarHBondContact O-NE2 3.1Å; F65-V109 HydrophobicContact CD2-CB 4.02Å; F65-V109 HydrophobicContact CD2-CG1 4.23Å; F65-V109 HydrophobicContact CE2-CB 4.21Å; F65-A141 HydrophobicContact CB-CB 3.75Å; F65-A141 HydrophobicContact CD1-CB 4.33Å; F65-A141 HydrophobicContact CG-CB 4.12Å
66L97.4Very high96.9Very high111 Ų11158.8 Ų58.858%0.58130%0.304SS*.PPolyproline II helixtrans-76.6126.6158.5-173.567.7000107.4Q75L66-Q75 HydrophobicContact CD1-CG 4.29Å
67I97.7Very high97Very high2 Ų257.7 Ų57.71%0.0129%0.293CS..PPolyproline II helixtrans-90.6119.4-179.4-52.6-59.3000109.3F65 V70 Q75 Y78 Q79 V109 A141 A143F65-I67 HydrophobicContact CB-CD1 4.22Å; I67-V70 HydrophobicContact CG2-CG2 4.05Å; I67-Q75 PolarHBondContact O-NE2 2.83Å; I67-Y78 HydrophobicContact CG2-CG 4.31Å; I67-Q79 HydrophobicContact CD1-CG 4.48Å; I67-Q79 HydrophobicContact CG1-CG 3.88Å; I67-V109 HydrophobicContact CD1-CG1 3.97Å; I67-A141 WeakPolarHBondContact CA-O 3.36Å; I67-A141 HydrophobicContact CD1-CB 4.15Å; I67-A143 HydrophobicContact CG2-CB 3.91Å
68S97.2Very high97Very high55 Ų5554.6 Ų54.639%0.38528%0.275SS..BIsolated β-bridgetrans-70.7157178.1-53.90000112.3V70 A141 A143S68-V70 PolarHBondContact O-N 3Å; S68-A141 PolarHBondContact N-O 3.48Å; S68-A143 PolarHBondContact O-N 3.49Å
69R96.5Very high97.1Very high39 Ų3954 Ų5415%0.14726%0.264CS..THydrogen-bonded Turntrans6910.2-176.7-49.9168.165.2-160.23.8115V142 A143 L200 P201R69-V142 HydrophobicContact CG-CG1 3.98Å; R69-A143 PolarHBondContact NH1-O 3.47Å; R69-L200 WeakPolarHBondContact O-CD2 3.4Å; R69-P201 PolarHBondContact NE-O 3.18Å; R69-P201 PolarHBondContact NH2-O 2.87Å; R69-P201 WeakPolarHBondContact O-CD 3.35Å
70V95.4Very high97.1Very high23 Ų2353.1 Ų53.114%0.13926%0.258CS..SBendtrans-121.7143.7-179.7-172.50000108.8I67 S68 D74 Q75 Y78 A143 L200I67-V70 HydrophobicContact CG2-CG2 4.05Å; S68-V70 PolarHBondContact O-N 3Å; V70-D74 HydrophobicContact CG1-CB 3.53Å; V70-Q75 PolarHBondContact O-NE2 2.85Å; V70-Y78 HydrophobicContact CB-CD2 4.29Å; V70-Y78 HydrophobicContact CB-CE2 4.37Å; V70-Y78 HydrophobicContact CG1-CD2 3.77Å; V70-Y78 HydrophobicContact CG1-CE2 3.8Å; V70-Y78 HydrophobicContact CG2-CD2 3.54Å; V70-Y78 HydrophobicContact CG2-CE2 3.54Å; V70-Y78 HydrophobicContact CG2-CG 4.05Å; V70-A143 HydrophobicContact CG2-CB 3.17Å; V70-L200 HydrophobicContact CG2-CD2 4.35Å
71S94.1Very high97.2Very high27 Ų2749.4 Ų49.419%0.18924%0.238CC..  trans-62156.5172.367.40000110.6Q41 E73 D74 Q75Q41-S71 PolarHBondContact OE1-OG 3.37Å; S71-E73 PolarHBondContact O-N 3.41Å; S71-D74 PolarHBondContact O-N 2.76Å; S71-D74 PolarHBondContact OG-N 2.87Å; S71-D74 PolarHBondContact OG-OD2 2.89Å; S71-Q75 PolarHBondContact O-N 3.4Å; S71-Q75 PolarHBondContact O-NE2 3.09Å
72P95.2Very high97.2Very high117 Ų11746.1 Ų46.176%0.7623%0.225SC*.SBendtrans-57.5-31.4175.1-27.536.5000113.5Q75P72-Q75 WeakPolarHBondContact O-CG 3.4Å
73E95.4Very high97.2Very high136 Ų13649.6 Ų49.664%0.63624%0.239SC*.THydrogen-bonded Turntrans-70.1-37.9-178.6-61.9-177.2-156.500111.7F38 S71F38-E73 VanDerWaalsContact CZ-O 3.26Å; F38-E73 WeakPolarHBondContact CZ-O 3.18Å; S71-E73 PolarHBondContact O-N 3.41Å
74D96.9Very high97.3Very high5 Ų545.4 Ų45.43%0.02722%0.224CC..THydrogen-bonded Turntrans-91.85.6-174.4-65.3-15.6000114.1D40 Q41 V70 S71 L76 L77D40-D74 VanDerWaalsContact CA-OD1 3.28Å; D40-D74 WeakPolarHBondContact CA-OD1 3.47Å; D40-D74 VanDerWaalsContact CB-OD1 3.31Å; D40-D74 WeakPolarHBondContact CB-OD1 3.31Å; Q41-D74 VanDerWaalsContact CD-OD2 3.29Å; Q41-D74 VanDerWaalsContact CG-OD2 3.28Å; Q41-D74 WeakPolarHBondContact CG-OD2 3.48Å; Q41-D74 PolarHBondContact N-OD1 3.5Å; Q41-D74 PolarHBondContact NE2-OD2 3.49Å; V70-D74 HydrophobicContact CG1-CB 3.53Å; S71-D74 PolarHBondContact O-N 2.76Å; S71-D74 PolarHBondContact OG-N 2.87Å; S71-D74 PolarHBondContact OG-OD2 2.89Å; D74-L76 PolarHBondContact O-N 2.69Å; D74-L76 VanDerWaalsContact O-N 3.15Å; D74-L77 PolarHBondContact O-N 2.93Å; D74-L77 VanDerWaalsContact O-N 3.17Å
75Q98.1Very high97.3Very high16 Ų1640.3 Ų40.38%0.07522%0.216CC..THydrogen-bonded Turntrans-51.6-41.3-177.2-74.6-66.9-49.700112.8L66 I67 V70 S71 P72 L77 Y78 Q79L66-Q75 HydrophobicContact CD1-CG 4.29Å; I67-Q75 PolarHBondContact O-NE2 2.83Å; V70-Q75 PolarHBondContact O-NE2 2.85Å; S71-Q75 PolarHBondContact O-N 3.4Å; S71-Q75 PolarHBondContact O-NE2 3.09Å; P72-Q75 WeakPolarHBondContact O-CG 3.4Å; Q75-L77 PolarHBondContact O-N 3.18Å; Q75-Y78 PolarHBondContact O-N 2.81Å; Q75-Q79 VanDerWaalsContact O-CG 3.29Å; Q75-Q79 WeakPolarHBondContact O-CG 3.23Å; Q75-Q79 PolarHBondContact O-N 2.86Å
76L97.9Very high97.4Very high35 Ų3543.2 Ų43.218%0.18323%0.233CC..Hα-helixtrans-59-36.7-174.6-172.566.9000112.4F38 D74 Y78 Q79 T80F38-L76 HydrophobicContact CD2-CB 4.15Å; F38-L76 HydrophobicContact CD2-CD2 3.63Å; F38-L76 HydrophobicContact CD2-CG 4.42Å; F38-L76 HydrophobicContact CE2-CB 3.95Å; F38-L76 HydrophobicContact CE2-CD2 4.17Å; F38-L76 HydrophobicContact CG-CD2 4.38Å; D74-L76 PolarHBondContact O-N 2.69Å; D74-L76 VanDerWaalsContact O-N 3.15Å; L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.09Å; L76-Q79 PolarHBondContact O-N 2.79Å; L76-T80 HydrophobicContact CD1-CG2 4.03Å; L76-T80 PolarHBondContact O-N 2.83Å; L76-T80 VanDerWaalsContact O-N 3.16Å; L76-T80 PolarHBondContact O-OG1 2.79Å
77L98.4Very high97.4Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-64.3-14179.9-69.9176.9000113.9N32 F38 D40 Y46 D74 Q75 N185 A186N32-L77 HydrophobicContact CB-CD2 4.42Å; F38-L77 HydrophobicContact CB-CD2 4.4Å; F38-L77 HydrophobicContact CD1-CD1 3.74Å; F38-L77 HydrophobicContact CD1-CD2 3.52Å; F38-L77 HydrophobicContact CD1-CG 3.46Å; F38-L77 VanDerWaalsContact CD1-CG 3.46Å; F38-L77 HydrophobicContact CE1-CD1 3.56Å; F38-L77 HydrophobicContact CE1-CD2 4.12Å; F38-L77 HydrophobicContact CE1-CG 3.5Å; F38-L77 VanDerWaalsContact CE1-CG 3.5Å; F38-L77 HydrophobicContact CG-CD2 4.17Å; F38-L77 HydrophobicContact CG-CG 4.35Å; F38-L77 HydrophobicContact CZ-CG 4.43Å; D40-L77 HydrophobicContact CB-CD1 3.94Å; Y46-L77 HydrophobicContact CD1-CD2 4.14Å; Y46-L77 HydrophobicContact CD2-CD1 3.94Å; Y46-L77 HydrophobicContact CD2-CD2 3.88Å; Y46-L77 HydrophobicContact CE1-CD2 4.45Å; Y46-L77 HydrophobicContact CE2-CD1 3.51Å; Y46-L77 HydrophobicContact CE2-CD2 4.18Å; Y46-L77 HydrophobicContact CG-CD2 3.86Å; D74-L77 PolarHBondContact O-N 2.93Å; D74-L77 VanDerWaalsContact O-N 3.17Å; Q75-L77 PolarHBondContact O-N 3.18Å; L77-N185 WeakPolarHBondContact O-CB 3.43Å; L77-A186 HydrophobicContact CB-CB 4.48Å; L77-A186 HydrophobicContact CD2-CB 3.97Å
78Y98.7Very high97.5Very high1 Ų141.2 Ų41.20%0.00423%0.227CC..Hα-helixtrans-116.40.9176.2-64.3-91000112.7I67 V70 Q75 L76 K105 F106 S107 A143 D145 N185I67-Y78 HydrophobicContact CG2-CG 4.31Å; V70-Y78 HydrophobicContact CB-CD2 4.29Å; V70-Y78 HydrophobicContact CB-CE2 4.37Å; V70-Y78 HydrophobicContact CG1-CD2 3.77Å; V70-Y78 HydrophobicContact CG1-CE2 3.8Å; V70-Y78 HydrophobicContact CG2-CD2 3.54Å; V70-Y78 HydrophobicContact CG2-CE2 3.54Å; V70-Y78 HydrophobicContact CG2-CG 4.05Å; Q75-Y78 PolarHBondContact O-N 2.81Å; L76-Y78 PolarHBondContact O-N 2.97Å; L76-Y78 VanDerWaalsContact O-N 3.09Å; Y78-K105 HydrophobicContact CD1-CB 4.44Å; Y78-K105 HydrophobicContact CE1-CB 3.77Å; Y78-K105 HydrophobicContact CE1-CG 4.44Å; Y78-K105 WeakPolarHBondContact OH-CE 3.25Å; Y78-K105 PolarHBondContact OH-NZ 2.78Å; Y78-F106 WeakPolarHBondContact CD1-O 3.45Å; Y78-S107 PolarHBondContact O-OG 3.05Å; Y78-A143 HydrophobicContact CD1-CB 3.56Å; Y78-A143 HydrophobicContact CD2-CB 4.46Å; Y78-A143 HydrophobicContact CE1-CB 3.41Å; Y78-A143 VanDerWaalsContact CE1-CB 3.41Å; Y78-A143 HydrophobicContact CE2-CB 4.33Å; Y78-A143 HydrophobicContact CG-CB 4.09Å; Y78-D145 WeakPolarHBondContact CE1-OD1 3.39Å; Y78-D145 PolarHBondContact OH-OD1 2.76Å; Y78-D145 PolarHBondContact OH-OD2 2.89Å; Y78-D145 VanDerWaalsContact OH-OD2 3.05Å; Y78-N185 PolarHBondContact O-ND2 3.26Å
79Q98.5Very high97.5Very high31 Ų3142 Ų4215%0.14523%0.225CC..Hα-helixtrans-104.9-24.5179.6-73.2178.4-19.300113G62 R63 F65 I67 Q75 L76G62-Q79 VanDerWaalsContact CA-O 3.29Å; G62-Q79 WeakPolarHBondContact CA-O 3.31Å; G62-Q79 PolarHBondContact N-O 3.01Å; R63-Q79 HydrophobicContact CG-CB 3.89Å; F65-Q79 PolarHBondContact O-NE2 3.1Å; I67-Q79 HydrophobicContact CD1-CG 4.48Å; I67-Q79 HydrophobicContact CG1-CG 3.88Å; Q75-Q79 VanDerWaalsContact O-CG 3.29Å; Q75-Q79 WeakPolarHBondContact O-CG 3.23Å; Q75-Q79 PolarHBondContact O-N 2.86Å; L76-Q79 PolarHBondContact O-N 2.79Å
80T98.3Very high97.6Very high2 Ų240.4 Ų40.41%0.01222%0.219CC..  trans-96150168.450.80000111.1N32 A33 S59 D60 L76 N185N32-T80 PolarHBondContact OD1-OG1 2.88Å; A33-T80 CarbonylContact O-C 3.57Å; S59-T80 CarbonylContact O-C 3.55Å; S59-T80 WeakPolarHBondContact O-CA 3.49Å; D60-T80 HydrophobicContact CB-CG2 4.35Å; L76-T80 HydrophobicContact CD1-CG2 4.03Å; L76-T80 PolarHBondContact O-N 2.83Å; L76-T80 VanDerWaalsContact O-N 3.16Å; L76-T80 PolarHBondContact O-OG1 2.79Å; T80-N185 VanDerWaalsContact O-CA 3.3Å; T80-N185 WeakPolarHBondContact O-CA 3.5Å; T80-N185 VanDerWaalsContact O-CB 3.26Å; T80-N185 WeakPolarHBondContact O-CB 3.28Å; T80-N185 PolarHBondContact O-ND2 3.41Å
81E98.6Very high97.8Very high13 Ų1343.6 Ų43.66%0.06123%0.233CC..EExtended strand (participates in β ladder)trans-149.5154.4179.870.9-166.4167.600112.2A33 G34 A58 S59 K183 V184A33-E81 CarbonylContact O-C 3.55Å; A33-E81 VanDerWaalsContact O-C 3.24Å; A33-E81 VanDerWaalsContact O-CA 3.26Å; A33-E81 WeakPolarHBondContact O-CA 3.26Å; A33-E81 PolarHBondContact O-N 2.88Å; G34-E81 WeakPolarHBondContact CA-O 3.29Å; A58-E81 CarbonylContact C-O 3.26Å; A58-E81 WeakPolarHBondContact CA-O 3.26Å; S59-E81 VanDerWaalsContact CB-OE1 3.26Å; S59-E81 WeakPolarHBondContact CB-OE1 3.28Å; S59-E81 PolarHBondContact N-O 2.89Å; S59-E81 PolarHBondContact O-N 3.08Å; S59-E81 PolarHBondContact OG-OE1 3.17Å; E81-K183 WeakPolarHBondContact OE2-CD 3.31Å; E81-K183 WeakPolarHBondContact OE2-CE 3.28Å; E81-K183 IonicContact OE2-NZ 2.65Å; E81-K183 PolarHBondContact OE2-NZ 3.41Å; E81-V184 WeakPolarHBondContact CA-O 3.34Å
82R98.5Very high98Very high2 Ų242.3 Ų42.31%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-107.8134.2155.2-179.1169.5-61.6-68.6-17.2109.7A33 D49 M51 I55 V57 F88 K183 V184A33-R82 HydrophobicContact CB-CB 4.05Å; D49-R82 VanDerWaalsContact CG-NH2 3.25Å; D49-R82 IonicContact OD1-NE 2.64Å; D49-R82 IonicContact OD1-NH2 2.72Å; D49-R82 IonicContact OD2-CZ 3.73Å; D49-R82 IonicContact OD2-NE 3.09Å; D49-R82 PolarHBondContact OD2-NE 3.32Å; D49-R82 IonicContact OD2-NH2 3.54Å; D49-R82 PolarHBondContact OD2-NH2 3.22Å; M51-R82 VanDerWaalsContact CE-CD 3.46Å; I55-R82 PolarHBondContact O-NH1 3.03Å; V57-R82 WeakPolarHBondContact O-CA 3.48Å; R82-F88 HydrophobicContact CG-CE2 4.4Å; R82-K183 CarbonylContact O-C 3.58Å; R82-K183 WeakPolarHBondContact O-CA 3.43Å; R82-K183 WeakPolarHBondContact O-CB 3.34Å; R82-V184 PolarHBondContact N-O 2.94Å; R82-V184 PolarHBondContact O-N 3.03Å
83Y98.5Very high98.1Very high74 Ų7446.2 Ų46.229%0.2922%0.223SC..EExtended strand (participates in β ladder)trans-127161.9165.272-91000110.5G56 V57 N181 P182G56-Y83 CarbonylContact C-O 3.54Å; G56-Y83 WeakPolarHBondContact CA-O 3.4Å; V57-Y83 HydrophobicContact CB-CD1 4.25Å; V57-Y83 HydrophobicContact CB-CD2 4.49Å; V57-Y83 HydrophobicContact CB-CE1 3.7Å; V57-Y83 HydrophobicContact CB-CE2 3.97Å; V57-Y83 HydrophobicContact CG1-CE1 3.71Å; V57-Y83 HydrophobicContact CG2-CE2 4.12Å; V57-Y83 PolarHBondContact N-O 3.25Å; V57-Y83 PolarHBondContact O-N 3.39Å; Y83-N181 HydrophobicContact CD2-CB 3.98Å; Y83-P182 WeakPolarHBondContact CA-O 3.39Å; Y83-P182 WeakPolarHBondContact CB-O 3.4Å
84H98.4Very high98.2Very high43 Ų4340.1 Ų40.120%0.19920%0.195CC..  trans-142.3147.8174.1-165.821.6000112G56 D86 F88 N181 P182G56-H84 VanDerWaalsContact CA-ND1 3.33Å; G56-H84 WeakPolarHBondContact CA-ND1 3.48Å; H84-D86 WeakPolarHBondContact CB-O 3.21Å; H84-D86 PolarHBondContact O-N 2.94Å; H84-F88 HydrophobicContact CB-CB 4.34Å; H84-F88 HydrophobicContact CB-CD1 3.58Å; H84-F88 HydrophobicContact CB-CE1 4.18Å; H84-F88 HydrophobicContact CB-CG 4.19Å; H84-N181 WeakPolarHBondContact O-CB 3.18Å; H84-P182 PolarHBondContact N-O 3.13Å; H84-P182 WeakPolarHBondContact O-CD 3.49Å
85S97.7Very high98.1Very high71 Ų7144 Ų4450%0.49722%0.22SC..SBendtrans-69.3-8.2176.554.80000113.9K176 N181S85-K176 WeakPolarHBondContact O-CD 3.01Å; S85-K176 WeakPolarHBondContact O-CE 3.23Å; S85-N181 WeakPolarHBondContact CA-OD1 3.39Å
86D97.9Very high98Very high104 Ų10447.1 Ų47.156%0.55624%0.235SC*.SBendtrans-135.5177.1175.7-108.7-45.8000109.7H84 P182H84-D86 WeakPolarHBondContact CB-O 3.21Å; H84-D86 PolarHBondContact O-N 2.94Å; D86-P182 WeakPolarHBondContact O-CG 2.94Å
87S98.3Very high98Very high59 Ų5949 Ų4941%0.41325%0.245SC..  trans-63.5144.6172.5-56.20000111.5F174 I175 K176S87-F174 VanDerWaalsContact CA-O 3.22Å; S87-F174 WeakPolarHBondContact CA-O 3.32Å; S87-F174 WeakPolarHBondContact CB-O 3.34Å; S87-I175 WeakPolarHBondContact OG-CA 3.5Å; S87-K176 PolarHBondContact OG-N 2.96Å
88F98.5Very high97.9Very high12 Ų1250 Ų505%0.05326%0.255CS..EExtended strand (participates in β ladder)trans-143.2167.6176.468.8-81.7000111.3M51 I55 R82 H84 Y90 F174 P182 V184M51-F88 HydrophobicContact CE-CD2 3.59Å; M51-F88 HydrophobicContact CE-CE2 4.05Å; M51-F88 HydrophobicContact SD-CD2 4.5Å; I55-F88 HydrophobicContact CG2-CB 4.01Å; R82-F88 HydrophobicContact CG-CE2 4.4Å; H84-F88 HydrophobicContact CB-CB 4.34Å; H84-F88 HydrophobicContact CB-CD1 3.58Å; H84-F88 HydrophobicContact CB-CE1 4.18Å; H84-F88 HydrophobicContact CB-CG 4.19Å; F88-Y90 HydrophobicContact CD2-CE2 4.5Å; F88-Y90 AromaticContact CE2-CE2 3.98Å; F88-Y90 HydrophobicContact CE2-CE2 3.98Å; F88-F174 HydrophobicContact CD1-CB 4.11Å; F88-F174 AromaticContact CD2-CD2 3.94Å; F88-F174 HydrophobicContact CD2-CD2 3.94Å; F88-F174 HydrophobicContact CE1-CB 3.72Å; F88-F174 HydrophobicContact CE1-CD2 4.26Å; F88-F174 HydrophobicContact CE1-CG 4.15Å; F88-F174 HydrophobicContact CE2-CB 4.43Å; F88-F174 AromaticContact CE2-CD2 3.44Å; F88-F174 HydrophobicContact CE2-CD2 3.44Å; F88-F174 VanDerWaalsContact CE2-CD2 3.44Å; F88-F174 AromaticContact CE2-CE2 3.98Å; F88-F174 HydrophobicContact CE2-CE2 3.98Å; F88-F174 HydrophobicContact CE2-CG 4.11Å; F88-F174 HydrophobicContact CZ-CB 3.91Å; F88-F174 AromaticContact CZ-CD2 3.63Å; F88-F174 HydrophobicContact CZ-CD2 3.63Å; F88-F174 HydrophobicContact CZ-CE2 4.35Å; F88-F174 AromaticContact CZ-CG 3.81Å; F88-F174 HydrophobicContact CZ-CG 3.81Å; F88-F174 PolarHBondContact N-O 2.77Å; F88-F174 VanDerWaalsContact N-O 3.13Å; F88-F174 PolarHBondContact O-N 2.82Å; F88-P182 HydrophobicContact CD1-CB 4.49Å; F88-P182 HydrophobicContact CD1-CG 4.11Å; F88-P182 HydrophobicContact CE1-CB 3.97Å; F88-P182 HydrophobicContact CE1-CG 4.01Å; F88-V184 HydrophobicContact CE2-CG1 4.16Å; F88-V184 HydrophobicContact CZ-CG1 4.16Å
89E98.4Very high97.9Very high73 Ų7355.4 Ų55.434%0.34128%0.28SS..EExtended strand (participates in β ladder)trans-147.9152.7-176.166.2178.6-149.300113.7Q91 V172 Q173E89-Q91 PolarHBondContact OE1-NE2 2.92Å; E89-V172 CarbonylContact C-O 3.48Å; E89-V172 WeakPolarHBondContact CA-O 3.19Å; E89-V172 WeakPolarHBondContact CB-O 3.42Å; E89-Q173 HydrophobicContact CB-CB 4.31Å; E89-Q173 HydrophobicContact CB-CG 3.8Å; E89-Q173 WeakPolarHBondContact OE2-CG 3.5Å; E89-Q173 PolarHBondContact OE2-NE2 3.42Å
90Y98.5Very high97.9Very high5 Ų554 Ų542%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-105.3142.8162.7-65.6-83.4000110.1I31 A33 D49 P50 M51 F88 V172 F174 V184 L187I31-Y90 HydrophobicContact CD1-CD1 3.58Å; I31-Y90 HydrophobicContact CD1-CE1 4.16Å; I31-Y90 HydrophobicContact CD1-CG 3.97Å; I31-Y90 HydrophobicContact CG2-CD1 4.4Å; I31-Y90 HydrophobicContact CG2-CE1 3.9Å; A33-Y90 VanDerWaalsContact CB-OH 3.29Å; A33-Y90 WeakPolarHBondContact CB-OH 3.21Å; D49-Y90 WeakPolarHBondContact OD1-CE1 3.11Å; D49-Y90 PolarHBondContact OD1-OH 3.26Å; D49-Y90 PolarHBondContact OD2-OH 2.89Å; P50-Y90 HydrophobicContact CG-CD1 3.88Å; P50-Y90 HydrophobicContact CG-CE1 3.89Å; M51-Y90 HydrophobicContact CE-CD1 3.75Å; M51-Y90 HydrophobicContact CE-CD2 4.13Å; M51-Y90 HydrophobicContact CE-CE1 3.19Å; M51-Y90 HydrophobicContact CE-CE2 3.65Å; M51-Y90 HydrophobicContact CE-CG 4.19Å; M51-Y90 WeakPolarHBondContact CE-OH 3.25Å; M51-Y90 HydrophobicContact CG-CE1 4.32Å; M51-Y90 HydrophobicContact SD-CE1 4.49Å; F88-Y90 HydrophobicContact CD2-CE2 4.5Å; F88-Y90 AromaticContact CE2-CE2 3.98Å; F88-Y90 HydrophobicContact CE2-CE2 3.98Å; Y90-V172 PolarHBondContact N-O 2.8Å; Y90-V172 PolarHBondContact O-N 2.85Å; Y90-F174 AromaticContact CD2-CE2 3.89Å; Y90-F174 HydrophobicContact CD2-CE2 3.89Å; Y90-F174 HydrophobicContact CE2-CE2 4.08Å; Y90-V184 HydrophobicContact CE2-CG1 3.86Å; Y90-L187 HydrophobicContact CD2-CD2 3.41Å; Y90-L187 VanDerWaalsContact CD2-CD2 3.41Å; Y90-L187 HydrophobicContact CE2-CD2 3.66Å; Y90-L187 HydrophobicContact CG-CD2 4.1Å
91Q97.9Very high97.9Very high90 Ų9053.9 Ų53.942%0.42127%0.273SS..EExtended strand (participates in β ladder)trans-109.1113.3177.8-70.2-72.6-16.300109.1E89E89-Q91 PolarHBondContact OE1-NE2 2.92Å
92I98.3Very high97.8Very high0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-111.1128.5-178.2-57.9174.7000108.9D29 I94 K169 L170 V172 L187 V189D29-I92 HydrophobicContact CB-CG2 3.71Å; I92-I94 HydrophobicContact CG2-CD1 4Å; I92-K169 WeakPolarHBondContact O-CA 3.32Å; I92-L170 HydrophobicContact CB-CB 4.37Å; I92-L170 PolarHBondContact N-O 2.82Å; I92-L170 PolarHBondContact O-N 2.78Å; I92-V172 HydrophobicContact CD1-CG2 4.02Å; I92-L187 HydrophobicContact CD1-CD1 3.61Å; I92-V189 HydrophobicContact CD1-CG2 3.64Å; I92-V189 HydrophobicContact CG2-CG2 4.27Å
93R97.9Very high97.8Very high198 Ų19853.2 Ų53.275%0.74727%0.27SS*.EExtended strand (participates in β ladder)trans-84.3121.4176.9-172.9177.9-176.2128.92.3109.6I28 G168I28-R93 WeakPolarHBondContact CG2-O 3.23Å; R93-G168 WeakPolarHBondContact CA-O 3.41Å
94I98Very high97.9Very high8 Ų849.7 Ų49.74%0.04126%0.256CS..  trans-98.7114.7173.8-51.6-57.9000108I28 I92 Y100 F150 V152 F166 G168 L170 V189I28-I94 HydrophobicContact CG2-CD1 4.05Å; I92-I94 HydrophobicContact CG2-CD1 4Å; I94-Y100 HydrophobicContact CG2-CD2 4.23Å; I94-Y100 HydrophobicContact CG2-CE1 4.18Å; I94-Y100 HydrophobicContact CG2-CE2 3.57Å; I94-F150 HydrophobicContact CD1-CE2 4.49Å; I94-F150 HydrophobicContact CD1-CZ 4.15Å; I94-F150 HydrophobicContact CG1-CE2 4.44Å; I94-V152 HydrophobicContact CG2-CG2 3.98Å; I94-F166 HydrophobicContact CB-CE1 4.03Å; I94-F166 HydrophobicContact CB-CZ 4.07Å; I94-F166 HydrophobicContact CG1-CE1 4.32Å; I94-F166 HydrophobicContact CG1-CZ 3.88Å; I94-G168 PolarHBondContact N-O 2.91Å; I94-L170 HydrophobicContact CD1-CB 4.37Å; I94-L170 HydrophobicContact CD1-CD2 4.49Å; I94-L170 HydrophobicContact CG1-CB 3.99Å; I94-V189 HydrophobicContact CD1-CG1 4.02Å
95P94.1Very high97.9Very high87 Ų8748.2 Ų48.257%0.56525%0.249SC*.  trans-77.6-31.2-167.127.8-33.5000114I28I28-P95 HydrophobicContact CD1-CG 4.49Å
96E96.1Very high97.9Very high82 Ų8244.8 Ų44.838%0.38323%0.226SC..SBendtrans-145.2163.8-171.263.9-177.5137.600113Y100 R191E96-Y100 WeakPolarHBondContact CG-OH 3.28Å; E96-Y100 PolarHBondContact O-OH 2.84Å; E96-R191 VanDerWaalsContact CD-NH1 3.27Å; E96-R191 IonicContact OE1-CZ 3.57Å; E96-R191 IonicContact OE1-NH1 3.55Å; E96-R191 PolarHBondContact OE1-NH1 3.26Å; E96-R191 IonicContact OE1-NH2 2.86Å; E96-R191 PolarHBondContact OE1-NH2 2.62Å; E96-R191 IonicContact OE2-CZ 3.09Å; E96-R191 IonicContact OE2-NH1 3.32Å; E96-R191 IonicContact OE2-NH2 3.19Å; E96-R191 PolarHBondContact OE2-NH2 3.42Å
97D97.6Very high98Very high74 Ų7439.9 Ų39.940%0.39620%0.199SC..SBendtrans-64.1142.8171.3-7710.4000110.5V152 K153 N154D97-V152 CarbonylContact C-O 3.59Å; D97-V152 VanDerWaalsContact CA-O 3.23Å; D97-V152 WeakPolarHBondContact CA-O 3.44Å; D97-V152 VanDerWaalsContact CB-O 3.31Å; D97-V152 WeakPolarHBondContact CB-O 3.42Å; D97-K153 WeakPolarHBondContact OD2-CA 3.45Å; D97-N154 PolarHBondContact OD2-N 3.24Å
98G97.5Very high98Very high20 Ų2037.1 Ų37.121%0.20618%0.18CC..EExtended strand (participates in β ladder)trans163.7179.1-176.200000113.5Y100 S151 V152G98-Y100 WeakPolarHBondContact O-CD2 3.47Å; G98-S151 CarbonylContact O-C 3.53Å; G98-S151 VanDerWaalsContact O-CA 3.25Å; G98-S151 WeakPolarHBondContact O-CA 3.37Å; G98-V152 PolarHBondContact N-O 3.03Å; G98-V152 PolarHBondContact O-N 3.21Å
99E97.6Very high97.9Very high115 Ų11536.6 Ų36.654%0.53718%0.177SC..EExtended strand (participates in β ladder)trans-95.4139.8170.8-61.3-176.8124.600109.3G192E99-G192 CarbonylContact C-O 3.5Å; E99-G192 VanDerWaalsContact C-O 3.26Å; E99-G192 PolarHBondContact O-N 2.81Å
100Y98.2Very high97.9Very high2 Ų239.3 Ų39.31%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-142.4157.1-176.5-61.2-85.1000110.5I28 I94 E96 G98 P149 F150 V152 V189 V190 R191 G192I28-Y100 HydrophobicContact CD1-CE1 3.81Å; I28-Y100 HydrophobicContact CG1-CD1 3.89Å; I28-Y100 HydrophobicContact CG1-CE1 3.64Å; I94-Y100 HydrophobicContact CG2-CD2 4.23Å; I94-Y100 HydrophobicContact CG2-CE1 4.18Å; I94-Y100 HydrophobicContact CG2-CE2 3.57Å; E96-Y100 WeakPolarHBondContact CG-OH 3.28Å; E96-Y100 PolarHBondContact O-OH 2.84Å; G98-Y100 WeakPolarHBondContact O-CD2 3.47Å; Y100-P149 WeakPolarHBondContact O-CA 3.19Å; Y100-F150 HydrophobicContact CD2-CD2 4.32Å; Y100-F150 AromaticContact CD2-CE2 3.74Å; Y100-F150 HydrophobicContact CD2-CE2 3.74Å; Y100-F150 HydrophobicContact CD2-CZ 4.2Å; Y100-F150 AromaticContact CG-CE2 3.88Å; Y100-F150 HydrophobicContact CG-CE2 3.88Å; Y100-F150 AromaticContact CG-CZ 3.84Å; Y100-F150 HydrophobicContact CG-CZ 3.84Å; Y100-F150 PolarHBondContact N-O 3.21Å; Y100-F150 PolarHBondContact O-N 3.29Å; Y100-V152 HydrophobicContact CD2-CG2 4.42Å; Y100-V152 HydrophobicContact CE2-CB 4.41Å; Y100-V152 HydrophobicContact CE2-CG2 4.28Å; Y100-V189 HydrophobicContact CD1-CG1 4.1Å; Y100-V189 HydrophobicContact CG-CG1 4.47Å; Y100-V190 CarbonylContact C-O 3.55Å; Y100-V190 VanDerWaalsContact CA-O 3.25Å; Y100-V190 WeakPolarHBondContact CA-O 3.46Å; Y100-R191 HydrophobicContact CD1-CB 3.97Å; Y100-R191 HydrophobicContact CD1-CG 4.2Å; Y100-R191 HydrophobicContact CE1-CB 3.83Å; Y100-R191 HydrophobicContact CE1-CG 3.82Å; Y100-G192 PolarHBondContact N-O 2.77Å
101V98.2Very high97.9Very high0 Ų040.5 Ų40.50%019%0.191CC..EExtended strand (participates in β ladder)trans-126.4124.2168.8-173.80000108.4V103 V189 V190 T193 L194 V197V101-V103 HydrophobicContact CG1-CG2 4.08Å; V101-V189 WeakPolarHBondContact O-CA 3.12Å; V101-V190 HydrophobicContact CB-CG1 4.13Å; V101-V190 PolarHBondContact N-O 3.23Å; V101-V190 PolarHBondContact O-N 3.11Å; V101-T193 VanDerWaalsContact CG2-C 3.5Å; V101-L194 HydrophobicContact CG1-CD1 4.31Å; V101-V197 HydrophobicContact CB-CG2 3.88Å; V101-V197 HydrophobicContact CG1-CG2 3.98Å; V101-V197 HydrophobicContact CG2-CG2 4.02Å
102L98.6Very high97.9Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans-85128.1163.8170.669000108.4L104 L123 V148 F150 V172 L187 V189L102-L104 HydrophobicContact CD1-CD2 3.94Å; L102-L104 HydrophobicContact CD1-CG 4.48Å; L102-L104 HydrophobicContact CD2-CD1 4.28Å; L102-L104 HydrophobicContact CD2-CD2 4.01Å; L102-L104 HydrophobicContact CD2-CG 4.16Å; L102-L104 HydrophobicContact CG-CD2 3.99Å; L102-L104 HydrophobicContact CG-CG 4.05Å; L102-L123 HydrophobicContact CD2-CD1 4.15Å; L102-L123 HydrophobicContact CD2-CD2 3.5Å; L102-L123 VanDerWaalsContact CD2-CD2 3.5Å; L102-L123 HydrophobicContact CD2-CG 4.38Å; L102-V148 HydrophobicContact CB-CB 4.3Å; L102-V148 PolarHBondContact N-O 2.81Å; L102-V148 PolarHBondContact O-N 3.02Å; L102-F150 HydrophobicContact CB-CD1 4.49Å; L102-F150 HydrophobicContact CB-CE1 4.12Å; L102-V172 HydrophobicContact CD1-CG2 4.2Å; L102-V172 HydrophobicContact CD2-CG1 3.96Å; L102-V172 HydrophobicContact CD2-CG2 3.9Å; L102-L187 HydrophobicContact CD1-CD1 4.29Å; L102-V189 HydrophobicContact CB-CG2 4.35Å; L102-V189 HydrophobicContact CD1-CG2 3.73Å
103V98.5Very high97.8Very high0 Ų045 Ų450%022%0.218CC..EExtended strand (participates in β ladder)trans-114.5125.6174.6-1740000108.5V101 K105 E146 Y147 L187 Y188 V197V101-V103 HydrophobicContact CG1-CG2 4.08Å; V103-K105 HydrophobicContact CG1-CG 4.49Å; V103-E146 WeakPolarHBondContact CA-O 3.45Å; V103-Y147 HydrophobicContact CG1-CD1 4.1Å; V103-Y147 HydrophobicContact CG1-CE1 3.97Å; V103-Y147 HydrophobicContact CG2-CD1 3.95Å; V103-Y147 HydrophobicContact CG2-CE1 4.38Å; V103-L187 CarbonylContact O-C 3.55Å; V103-L187 WeakPolarHBondContact O-CA 3.27Å; V103-L187 WeakPolarHBondContact O-CB 3.46Å; V103-Y188 HydrophobicContact CB-CD1 3.8Å; V103-Y188 HydrophobicContact CB-CD2 4.46Å; V103-Y188 HydrophobicContact CB-CE1 3.38Å; V103-Y188 HydrophobicContact CB-CE2 4.08Å; V103-Y188 HydrophobicContact CB-CG 4.35Å; V103-Y188 HydrophobicContact CG1-CD1 4.26Å; V103-Y188 HydrophobicContact CG1-CE1 3.52Å; V103-Y188 HydrophobicContact CG2-CD2 4.39Å; V103-Y188 HydrophobicContact CG2-CE1 3.88Å; V103-Y188 HydrophobicContact CG2-CE2 3.72Å; V103-Y188 VanDerWaalsContact CG2-CZ 3.45Å; V103-Y188 PolarHBondContact N-O 3.27Å; V103-Y188 PolarHBondContact O-N 2.95Å; V103-V197 HydrophobicContact CG2-CG1 3.65Å
104L98.9Very high97.8Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-115.6123.2179.9-57.8168.6000108.5L102 F106 V121 D145 E146 V172 F174 L187L102-L104 HydrophobicContact CD1-CD2 3.94Å; L102-L104 HydrophobicContact CD1-CG 4.48Å; L102-L104 HydrophobicContact CD2-CD1 4.28Å; L102-L104 HydrophobicContact CD2-CD2 4.01Å; L102-L104 HydrophobicContact CD2-CG 4.16Å; L102-L104 HydrophobicContact CG-CD2 3.99Å; L102-L104 HydrophobicContact CG-CG 4.05Å; L104-F106 HydrophobicContact CB-CD2 4.26Å; L104-F106 HydrophobicContact CB-CE2 3.35Å; L104-F106 HydrophobicContact CB-CZ 3.63Å; L104-F106 HydrophobicContact CD1-CE2 4.33Å; L104-F106 HydrophobicContact CD1-CZ 4.2Å; L104-F106 HydrophobicContact CG-CE2 4.46Å; L104-F106 HydrophobicContact CG-CZ 4.46Å; L104-V121 HydrophobicContact CD1-CB 4.43Å; L104-V121 HydrophobicContact CD1-CG1 3.71Å; L104-V121 HydrophobicContact CD1-CG2 4.32Å; L104-D145 CarbonylContact O-C 3.54Å; L104-D145 VanDerWaalsContact O-CA 3.24Å; L104-D145 WeakPolarHBondContact O-CA 3.41Å; L104-E146 HydrophobicContact CB-CB 4.26Å; L104-E146 HydrophobicContact CD1-CB 4.37Å; L104-E146 PolarHBondContact N-O 3.22Å; L104-E146 PolarHBondContact O-N 2.99Å; L104-V172 HydrophobicContact CD2-CG1 3.97Å; L104-F174 HydrophobicContact CD2-CE1 4.43Å; L104-F174 HydrophobicContact CD2-CZ 4.07Å; L104-L187 HydrophobicContact CD2-CB 3.73Å; L104-L187 HydrophobicContact CD2-CD2 4.49Å
105K98.8Very high97.8Very high12 Ų1243.3 Ų43.35%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-104.3128.8-174.8-57173.375.281.30109.2Y46 Y78 V103 D145 N185 A186Y46-K105 HydrophobicContact CE1-CD 4.41Å; Y78-K105 HydrophobicContact CD1-CB 4.44Å; Y78-K105 HydrophobicContact CE1-CB 3.77Å; Y78-K105 HydrophobicContact CE1-CG 4.44Å; Y78-K105 WeakPolarHBondContact OH-CE 3.25Å; Y78-K105 PolarHBondContact OH-NZ 2.78Å; V103-K105 HydrophobicContact CG1-CG 4.49Å; K105-D145 WeakPolarHBondContact CA-OD1 3.44Å; K105-D145 IonicContact NZ-OD2 3.51Å; K105-N185 WeakPolarHBondContact O-CB 3.38Å; K105-N185 PolarHBondContact O-N 3Å; K105-A186 HydrophobicContact CB-CB 4.22Å; K105-A186 WeakPolarHBondContact CB-O 3.29Å; K105-A186 HydrophobicContact CD-CB 4Å; K105-A186 PolarHBondContact N-O 2.98Å; K105-A186 PolarHBondContact O-N 3.4Å
106F98.9Very high98Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans-135.7152.5-175.4-56.6-80.1000112.4Y78 L104 F119 V121 L132 I134 H144 E146 F174 K183 V184 N185Y78-F106 WeakPolarHBondContact CD1-O 3.45Å; L104-F106 HydrophobicContact CB-CD2 4.26Å; L104-F106 HydrophobicContact CB-CE2 3.35Å; L104-F106 HydrophobicContact CB-CZ 3.63Å; L104-F106 HydrophobicContact CD1-CE2 4.33Å; L104-F106 HydrophobicContact CD1-CZ 4.2Å; L104-F106 HydrophobicContact CG-CE2 4.46Å; L104-F106 HydrophobicContact CG-CZ 4.46Å; F106-F119 HydrophobicContact CD1-CZ 4.27Å; F106-F119 HydrophobicContact CE1-CE2 4.12Å; F106-F119 AromaticContact CE1-CZ 3.9Å; F106-F119 HydrophobicContact CE1-CZ 3.9Å; F106-V121 HydrophobicContact CZ-CG2 4.44Å; F106-L132 HydrophobicContact CD2-CD2 4.24Å; F106-L132 HydrophobicContact CE1-CD2 4.17Å; F106-L132 HydrophobicContact CE2-CD2 3.81Å; F106-L132 HydrophobicContact CZ-CD2 3.78Å; F106-I134 HydrophobicContact CB-CD1 3.77Å; F106-I134 HydrophobicContact CB-CG1 3.96Å; F106-I134 HydrophobicContact CB-CG2 4.3Å; F106-I134 HydrophobicContact CD1-CD1 3.93Å; F106-I134 HydrophobicContact CG-CD1 4.09Å; F106-I134 HydrophobicContact CG-CG1 4.33Å; F106-H144 WeakPolarHBondContact CA-O 3.43Å; F106-H144 HydrophobicContact CB-CB 4.38Å; F106-H144 WeakPolarHBondContact CB-O 3.26Å; F106-H144 PolarHBondContact N-O 2.79Å; F106-H144 PolarHBondContact O-N 3.09Å; F106-E146 HydrophobicContact CD2-CG 4.37Å; F106-E146 HydrophobicContact CE2-CB 4.21Å; F106-E146 HydrophobicContact CE2-CG 3.89Å; F106-F174 AromaticContact CE1-CE1 3.98Å; F106-F174 HydrophobicContact CE1-CE1 3.98Å; F106-F174 AromaticContact CZ-CE1 3.99Å; F106-F174 HydrophobicContact CZ-CE1 3.99Å; F106-K183 VanDerWaalsContact CE1-O 3.28Å; F106-K183 WeakPolarHBondContact CE1-O 3.31Å; F106-V184 HydrophobicContact CD1-CB 4.47Å; F106-V184 HydrophobicContact CD1-CG2 4.41Å; F106-V184 HydrophobicContact CE1-CB 3.97Å; F106-V184 HydrophobicContact CE1-CG2 3.96Å; F106-V184 HydrophobicContact CZ-CG2 4.46Å; F106-N185 VanDerWaalsContact C-OD1 3.3Å; F106-N185 WeakPolarHBondContact CA-OD1 3.26Å
107S98.6Very high98.1Very high0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-147.7141.1163.9620000108.5Y78 K183 N185Y78-S107 PolarHBondContact O-OG 3.05Å; S107-K183 PolarHBondContact O-NZ 3.25Å; S107-N185 PolarHBondContact N-OD1 2.87Å; S107-N185 PolarHBondContact OG-ND2 2.89Å; S107-N185 VanDerWaalsContact OG-ND2 3.11Å; S107-N185 PolarHBondContact OG-OD1 2.92Å
108E98.4Very high98.2Very high2 Ų238.7 Ų38.71%0.00919%0.191CC..  trans-96121166.3179.456.7-109.300108.4Y110 F111 K117 I134 F135 R140 A141E108-Y110 WeakPolarHBondContact OE1-CA 3.41Å; E108-Y110 WeakPolarHBondContact OE1-CB 3.44Å; E108-Y110 PolarHBondContact OE1-N 3.27Å; E108-F111 HydrophobicContact CG-CB 4.29Å; E108-F111 PolarHBondContact OE1-N 2.88Å; E108-K117 IonicContact OE1-NZ 2.75Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 IonicContact OE2-NZ 3.44Å; E108-K117 PolarHBondContact OE2-NZ 2.87Å; E108-I134 HydrophobicContact CB-CB 4.09Å; E108-I134 HydrophobicContact CB-CG2 3.9Å; E108-F135 HydrophobicContact CB-CB 4.39Å; E108-F135 HydrophobicContact CG-CB 4.11Å; E108-F135 HydrophobicContact CG-CD2 4.29Å; E108-R140 CarbonylContact O-C 3.51Å; E108-R140 VanDerWaalsContact O-CA 3.31Å; E108-R140 WeakPolarHBondContact O-CA 3.44Å; E108-R140 WeakPolarHBondContact O-CG 3.29Å; E108-A141 PolarHBondContact O-N 3.48Å
109V97.8Very high98.2Very high0 Ų037.7 Ų37.70%018%0.181CC..  trans-122.7-16-176-65.60000112.6Y61 F65 I67 R140Y61-V109 HydrophobicContact CD1-CB 4.41Å; Y61-V109 HydrophobicContact CD1-CG2 4.03Å; F65-V109 HydrophobicContact CD2-CB 4.02Å; F65-V109 HydrophobicContact CD2-CG1 4.23Å; F65-V109 HydrophobicContact CE2-CB 4.21Å; I67-V109 HydrophobicContact CD1-CG1 3.97Å; V109-R140 PolarHBondContact O-NE 3.23Å; V109-R140 VanDerWaalsContact O-NE 3.11Å; V109-R140 PolarHBondContact O-NH2 3.4Å
110Y97.9Very high98.3Very high130 Ų13033.6 Ų33.651%0.5116%0.163SC..SBendtrans-97.7-53.5-174-172.1-98.8000112Y61 E108Y61-Y110 HydrophobicContact CE1-CD2 4.32Å; Y61-Y110 HydrophobicContact CE2-CD2 4.16Å; Y61-Y110 HydrophobicContact CE2-CE2 4.4Å; E108-Y110 WeakPolarHBondContact OE1-CA 3.41Å; E108-Y110 WeakPolarHBondContact OE1-CB 3.44Å; E108-Y110 PolarHBondContact OE1-N 3.27Å
111F98Very high98.3Very high30 Ų3033.5 Ų33.513%0.13216%0.163CC..  trans-84.8150.5179.5-66.1-58.9000112.8E108 R116 K117 F135 D180E108-F111 HydrophobicContact CG-CB 4.29Å; E108-F111 PolarHBondContact OE1-N 2.88Å; F111-R116 HydrophobicContact CB-CB 3.87Å; F111-R116 HydrophobicContact CB-CG 4.24Å; F111-R116 HydrophobicContact CD1-CB 3.67Å; F111-R116 HydrophobicContact CD1-CG 4.11Å; F111-R116 HydrophobicContact CD2-CB 3.54Å; F111-R116 HydrophobicContact CE1-CB 4.05Å; F111-R116 HydrophobicContact CE2-CB 3.92Å; F111-R116 HydrophobicContact CG-CB 3.41Å; F111-R116 VanDerWaalsContact CG-CB 3.41Å; F111-R116 HydrophobicContact CG-CG 4.12Å; F111-R116 HydrophobicContact CZ-CB 4.18Å; F111-K117 HydrophobicContact CD2-CB 3.78Å; F111-K117 HydrophobicContact CE2-CB 3.82Å; F111-K117 VanDerWaalsContact CE2-NZ 3.27Å; F111-F135 WeakPolarHBondContact O-CD2 3.42Å; F111-D180 HydrophobicContact CE2-CB 3.66Å; F111-D180 WeakPolarHBondContact CE2-OD2 3.46Å; F111-D180 HydrophobicContact CZ-CB 3.92Å
112T97.5Very high98.4Very high84 Ų8433.5 Ų33.552%0.51516%0.163SC..SBendtrans-116.610.2-177.555.10000112.8F135 R140T112-F135 VanDerWaalsContact CA-CE2 3.48Å; T112-F135 WeakPolarHBondContact O-CE2 3.29Å; T112-F135 WeakPolarHBondContact O-CZ 3.16Å; T112-R140 VanDerWaalsContact CG2-NH1 3.34Å
113E96.7Very high98.3Very high102 Ų10233.5 Ų33.548%0.47716%0.163SC..SBendtrans-144.3151.2-176.3-64.5177.7150.400109.6R116E113-R116 HydrophobicContact CB-CG 4.01Å; E113-R116 VanDerWaalsContact O-CG 3.3Å; E113-R116 WeakPolarHBondContact O-CG 3.49Å; E113-R116 IonicContact OE2-NH1 3.4Å; E113-R116 PolarHBondContact OE2-NH1 3.37Å
114P98.1Very high98.3Very high71 Ų7135.8 Ų35.846%0.46118%0.175SC..THydrogen-bonded Turntrans-69.1165.517431.3-34.6000110.8R116 F135 A136P114-R116 PolarHBondContact O-N 3.11Å; P114-F135 HydrophobicContact CB-CD1 4.01Å; P114-F135 HydrophobicContact CG-CD1 4.44Å; P114-A136 HydrophobicContact CB-CB 3.93Å
115N98.1Very high98.3Very high99 Ų9938.2 Ų38.253%0.52920%0.2SC..THydrogen-bonded Turntrans63.118.6175.8-164.736000114.5D133N115-D133 WeakPolarHBondContact CA-OD2 3.34Å; N115-D133 PolarHBondContact N-OD2 3.47Å
116R98.2Very high98.2Very high123 Ų12339.8 Ų39.846%0.46421%0.209SC..SBendtrans-90-40.2176.2-57-56.4-64.3-112.51.7112F111 E113 P114 D180F111-R116 HydrophobicContact CB-CB 3.87Å; F111-R116 HydrophobicContact CB-CG 4.24Å; F111-R116 HydrophobicContact CD1-CB 3.67Å; F111-R116 HydrophobicContact CD1-CG 4.11Å; F111-R116 HydrophobicContact CD2-CB 3.54Å; F111-R116 HydrophobicContact CE1-CB 4.05Å; F111-R116 HydrophobicContact CE2-CB 3.92Å; F111-R116 HydrophobicContact CG-CB 3.41Å; F111-R116 VanDerWaalsContact CG-CB 3.41Å; F111-R116 HydrophobicContact CG-CG 4.12Å; F111-R116 HydrophobicContact CZ-CB 4.18Å; E113-R116 HydrophobicContact CB-CG 4.01Å; E113-R116 VanDerWaalsContact O-CG 3.3Å; E113-R116 WeakPolarHBondContact O-CG 3.49Å; E113-R116 IonicContact OE2-NH1 3.4Å; E113-R116 PolarHBondContact OE2-NH1 3.37Å; P114-R116 PolarHBondContact O-N 3.11Å; R116-D180 WeakPolarHBondContact O-CB 3.33Å; R116-D180 PolarHBondContact O-N 2.71Å
117K98.6Very high98.2Very high12 Ų1242.8 Ų42.85%0.05223%0.227CC..SBendtrans-125.6113175.5-171.2-176.6-7380.10109E108 F111 F119 D180 N181 K183E108-K117 IonicContact OE1-NZ 2.75Å; E108-K117 PolarHBondContact OE1-NZ 2.92Å; E108-K117 IonicContact OE2-NZ 3.44Å; E108-K117 PolarHBondContact OE2-NZ 2.87Å; F111-K117 HydrophobicContact CD2-CB 3.78Å; F111-K117 HydrophobicContact CE2-CB 3.82Å; F111-K117 VanDerWaalsContact CE2-NZ 3.27Å; K117-F119 HydrophobicContact CD-CE1 4.24Å; K117-F119 HydrophobicContact CG-CD1 4.16Å; K117-F119 HydrophobicContact CG-CE1 4.33Å; K117-D180 HydrophobicContact CB-CB 4.14Å; K117-D180 VanDerWaalsContact CE-OD2 3.23Å; K117-D180 WeakPolarHBondContact CE-OD2 3.24Å; K117-D180 HydrophobicContact CG-CB 4.2Å; K117-D180 IonicContact NZ-OD2 3.01Å; K117-D180 PolarHBondContact NZ-OD2 2.87Å; K117-N181 VanDerWaalsContact CD-O 3.29Å; K117-N181 WeakPolarHBondContact CD-O 3.44Å; K117-N181 WeakPolarHBondContact CG-O 3.41Å; K117-K183 HydrophobicContact CD-CD 4.16Å; K117-K183 HydrophobicContact CD-CG 3.91Å
118V98.7Very high98.2Very high10 Ų1044.7 Ų44.76%0.06124%0.238CC..  trans-136.5127.2-179.7-172.30000107.9Q131 L132 D133 T177 K179V118-Q131 HydrophobicContact CG1-CB 3.85Å; V118-Q131 HydrophobicContact CG1-CG 4.29Å; V118-L132 WeakPolarHBondContact CA-O 3.38Å; V118-D133 HydrophobicContact CG2-CB 4.17Å; V118-T177 PolarHBondContact O-OG1 3.27Å; V118-K179 HydrophobicContact CB-CB 4.11Å; V118-K179 HydrophobicContact CB-CG 3.75Å; V118-K179 HydrophobicContact CG2-CB 4.45Å; V118-K179 HydrophobicContact CG2-CG 3.91Å
119F98.9Very high98.2Very high0 Ų045.2 Ų45.20%024%0.242CC..EExtended strand (participates in β ladder)trans-148.3165179.759.6-86000110.7F106 K117 V121 L132 I134 F174 I175 P182 K183F106-F119 HydrophobicContact CD1-CZ 4.27Å; F106-F119 HydrophobicContact CE1-CE2 4.12Å; F106-F119 AromaticContact CE1-CZ 3.9Å; F106-F119 HydrophobicContact CE1-CZ 3.9Å; K117-F119 HydrophobicContact CD-CE1 4.24Å; K117-F119 HydrophobicContact CG-CD1 4.16Å; K117-F119 HydrophobicContact CG-CE1 4.33Å; F119-V121 HydrophobicContact CD2-CG2 4.41Å; F119-V121 HydrophobicContact CE2-CG2 4.12Å; F119-L132 HydrophobicContact CE2-CD2 3.85Å; F119-L132 HydrophobicContact CZ-CD2 3.77Å; F119-L132 HydrophobicContact CZ-CG 4.32Å; F119-L132 PolarHBondContact N-O 2.84Å; F119-L132 WeakPolarHBondContact O-CA 3.17Å; F119-L132 VanDerWaalsContact O-CB 3.32Å; F119-L132 WeakPolarHBondContact O-CB 3.29Å; F119-L132 PolarHBondContact O-N 2.93Å; F119-I134 HydrophobicContact CE1-CD1 4.06Å; F119-I134 HydrophobicContact CZ-CD1 4.12Å; F119-F174 HydrophobicContact CD2-CD1 4.46Å; F119-F174 AromaticContact CE2-CD1 3.95Å; F119-F174 HydrophobicContact CE2-CD1 3.95Å; F119-I175 WeakPolarHBondContact CB-O 3.48Å; F119-P182 HydrophobicContact CB-CB 3.88Å; F119-P182 HydrophobicContact CD1-CB 4.48Å; F119-P182 HydrophobicContact CD2-CB 3.99Å; F119-P182 HydrophobicContact CG-CB 3.87Å; F119-K183 HydrophobicContact CE1-CG 4.22Å; F119-K183 HydrophobicContact CZ-CG 4.33Å; F119-K183 VanDerWaalsContact CZ-O 3.29Å; F119-K183 WeakPolarHBondContact CZ-O 3.26Å
120N98.8Very high98.2Very high29 Ų2951.9 Ų51.916%0.15527%0.273CS..EExtended strand (participates in β ladder)trans-102.5156.5175.1-59.4-24.3000110.1V127 V129 Q131 I175N120-V127 HydrophobicContact CB-CG1 4.1Å; N120-V129 CarbonylContact C-O 3.52Å; N120-V129 VanDerWaalsContact CA-O 3.29Å; N120-V129 WeakPolarHBondContact CA-O 3.37Å; N120-Q131 PolarHBondContact OD1-N 2.8Å; N120-I175 HydrophobicContact CB-CB 4.16Å; N120-I175 PolarHBondContact N-O 2.88Å; N120-I175 VanDerWaalsContact N-O 3.07Å; N120-I175 PolarHBondContact O-N 2.93Å
121V98.8Very high98.2Very high0 Ų051.9 Ų51.90%028%0.278CS..EExtended strand (participates in β ladder)trans-116.7132.3166.2-173.70000108.7L104 F106 F119 V128 V129 L132 Q173 F174L104-V121 HydrophobicContact CD1-CB 4.43Å; L104-V121 HydrophobicContact CD1-CG1 3.71Å; L104-V121 HydrophobicContact CD1-CG2 4.32Å; F106-V121 HydrophobicContact CZ-CG2 4.44Å; F119-V121 HydrophobicContact CD2-CG2 4.41Å; F119-V121 HydrophobicContact CE2-CG2 4.12Å; V121-V128 HydrophobicContact CB-CG2 4.41Å; V121-V128 HydrophobicContact CG1-CG2 4.23Å; V121-V128 WeakPolarHBondContact O-CG2 3.49Å; V121-V128 PolarHBondContact O-N 3.24Å; V121-V129 HydrophobicContact CB-CB 4.01Å; V121-V129 HydrophobicContact CB-CG2 4.27Å; V121-V129 HydrophobicContact CG2-CB 4.25Å; V121-V129 PolarHBondContact N-O 3.36Å; V121-V129 PolarHBondContact O-N 2.64Å; V121-V129 VanDerWaalsContact O-N 3.09Å; V121-L132 HydrophobicContact CG2-CD2 4.43Å; V121-Q173 CarbonylContact C-O 3.24Å; V121-Q173 VanDerWaalsContact CA-O 3.27Å; V121-Q173 WeakPolarHBondContact CA-O 3.35Å; V121-F174 HydrophobicContact CG2-CD1 4Å; V121-F174 HydrophobicContact CG2-CE1 4.19Å
122A98.6Very high98.3Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-127.5149.3177.400000112.1L126 V127 Q173 I175A122-L126 CarbonylContact C-O 3.56Å; A122-L126 WeakPolarHBondContact CA-O 3.42Å; A122-L126 VanDerWaalsContact CB-O 3.27Å; A122-L126 WeakPolarHBondContact CB-O 3.45Å; A122-V127 HydrophobicContact CB-CG2 4.28Å; A122-Q173 HydrophobicContact CB-CB 4.26Å; A122-Q173 PolarHBondContact N-O 2.81Å; A122-Q173 PolarHBondContact O-N 3.05Å; A122-I175 HydrophobicContact CB-CD1 3.58Å; A122-I175 HydrophobicContact CB-CG1 4.48Å
123L98.5Very high98.3Very high0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-112.6118.7170.6-60.9-173.5000109.4L102 G125 L126 V128 V148 I159 L170 A171 V172L102-L123 HydrophobicContact CD2-CD1 4.15Å; L102-L123 HydrophobicContact CD2-CD2 3.5Å; L102-L123 VanDerWaalsContact CD2-CD2 3.5Å; L102-L123 HydrophobicContact CD2-CG 4.38Å; L123-G125 PolarHBondContact O-N 3.04Å; L123-G125 VanDerWaalsContact O-N 3.13Å; L123-L126 PolarHBondContact N-O 3.31Å; L123-L126 PolarHBondContact O-N 2.72Å; L123-V128 HydrophobicContact CB-CG1 4.24Å; L123-V128 HydrophobicContact CD1-CG1 4.22Å; L123-V128 HydrophobicContact CD1-CG2 4.46Å; L123-V128 HydrophobicContact CG-CG1 4Å; L123-V128 HydrophobicContact CG-CG2 3.94Å; L123-V148 HydrophobicContact CD1-CB 4.4Å; L123-V148 HydrophobicContact CD1-CG1 3.65Å; L123-I159 HydrophobicContact CB-CD1 3.65Å; L123-I159 HydrophobicContact CD1-CD1 4.03Å; L123-I159 HydrophobicContact CG-CD1 4.41Å; L123-L170 HydrophobicContact CB-CD1 4.32Å; L123-L170 HydrophobicContact CD1-CD1 4.34Å; L123-L170 HydrophobicContact CD2-CD1 4.46Å; L123-L170 HydrophobicContact CD2-CG 4.5Å; L123-A171 VanDerWaalsContact CA-O 3.32Å; L123-A171 WeakPolarHBondContact CA-O 3.32Å; L123-V172 HydrophobicContact CD2-CB 4.21Å; L123-V172 HydrophobicContact CD2-CG1 4.2Å; L123-V172 HydrophobicContact CD2-CG2 3.85Å
124N98Very high98.4Very high47 Ų4742.5 Ų42.525%0.25123%0.229SC..THydrogen-bonded Turntrans49.738.9-178.2-69.353.3000112.6L157 L164 K169 L170 A171N124-L157 HydrophobicContact CB-CD2 4.07Å; N124-L164 HydrophobicContact CB-CD1 4.18Å; N124-K169 PolarHBondContact ND2-O 2.85Å; N124-L170 WeakPolarHBondContact OD1-CA 3.33Å; N124-A171 PolarHBondContact N-O 3.01Å; N124-A171 PolarHBondContact OD1-N 2.91Å
125G97.4Very high98.4Very high52 Ų5241.1 Ų41.154%0.53622%0.216SC..THydrogen-bonded Turntrans87.2-11.3-179.600000115.9L123L123-G125 PolarHBondContact O-N 3.04Å; L123-G125 VanDerWaalsContact O-N 3.13Å
126L98.3Very high98.4Very high44 Ų4439.5 Ų39.523%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-87.2119173.417669.1000110.3A122 L123 V128 I159 E162 L164A122-L126 CarbonylContact C-O 3.56Å; A122-L126 WeakPolarHBondContact CA-O 3.42Å; A122-L126 VanDerWaalsContact CB-O 3.27Å; A122-L126 WeakPolarHBondContact CB-O 3.45Å; L123-L126 PolarHBondContact N-O 3.31Å; L123-L126 PolarHBondContact O-N 2.72Å; L126-V128 PolarHBondContact O-N 3.39Å; L126-I159 HydrophobicContact CD2-CB 4.01Å; L126-I159 HydrophobicContact CD2-CD1 4.12Å; L126-I159 HydrophobicContact CD2-CG2 4.23Å; L126-E162 HydrophobicContact CD1-CG 4.09Å; L126-E162 HydrophobicContact CD2-CB 3.56Å; L126-E162 HydrophobicContact CD2-CG 3.78Å; L126-L164 HydrophobicContact CB-CD1 3.87Å; L126-L164 HydrophobicContact CD2-CD1 4.47Å
127V98.5Very high98.4Very high63 Ų6338.4 Ų38.438%0.38222%0.215SC..EExtended strand (participates in β ladder)trans-65.5120.7175.5177.80000109.9N120 A122 E130 I175N120-V127 HydrophobicContact CB-CG1 4.1Å; A122-V127 HydrophobicContact CB-CG2 4.28Å; V127-E130 HydrophobicContact CG1-CB 4.08Å; V127-I175 HydrophobicContact CG2-CD1 4.32Å
128V98.4Very high98.4Very high40 Ų4038.6 Ų38.624%0.24222%0.217CC..EExtended strand (participates in β ladder)trans-109.3-24.4-179.7-65.20000112.9V121 L123 L126 V148 I159V121-V128 HydrophobicContact CB-CG2 4.41Å; V121-V128 HydrophobicContact CG1-CG2 4.23Å; V121-V128 WeakPolarHBondContact O-CG2 3.49Å; V121-V128 PolarHBondContact O-N 3.24Å; L123-V128 HydrophobicContact CB-CG1 4.24Å; L123-V128 HydrophobicContact CD1-CG1 4.22Å; L123-V128 HydrophobicContact CD1-CG2 4.46Å; L123-V128 HydrophobicContact CG-CG1 4Å; L123-V128 HydrophobicContact CG-CG2 3.94Å; L126-V128 PolarHBondContact O-N 3.39Å; V128-V148 HydrophobicContact CB-CG1 4.02Å; V128-V148 HydrophobicContact CB-CG2 4.42Å; V128-V148 HydrophobicContact CG1-CG1 4.09Å; V128-V148 HydrophobicContact CG2-CG1 4.18Å; V128-V148 HydrophobicContact CG2-CG2 4.04Å; V128-I159 HydrophobicContact CG1-CD1 4.44Å; V128-I159 HydrophobicContact CG1-CG2 3.76Å
129V98.4Very high98.3Very high14 Ų1439 Ų399%0.08522%0.224CC..EExtended strand (participates in β ladder)trans-130.5114.5169.7-171.70000107.4N120 V121 L132 E146N120-V129 CarbonylContact C-O 3.52Å; N120-V129 VanDerWaalsContact CA-O 3.29Å; N120-V129 WeakPolarHBondContact CA-O 3.37Å; V121-V129 HydrophobicContact CB-CB 4.01Å; V121-V129 HydrophobicContact CB-CG2 4.27Å; V121-V129 HydrophobicContact CG2-CB 4.25Å; V121-V129 PolarHBondContact N-O 3.36Å; V121-V129 PolarHBondContact O-N 2.64Å; V121-V129 VanDerWaalsContact O-N 3.09Å; V129-L132 HydrophobicContact CG1-CB 3.92Å; V129-L132 HydrophobicContact CG1-CD1 4.25Å; V129-L132 HydrophobicContact CG1-CD2 4.39Å; V129-L132 HydrophobicContact CG1-CG 4.41Å; V129-E146 HydrophobicContact CG1-CG 4.43Å; V129-E146 HydrophobicContact CG2-CB 4.32Å; V129-E146 HydrophobicContact CG2-CG 4.16Å
130E98.2Very high98.2Very high139 Ų13943.3 Ų43.365%0.6524%0.24SC*.EExtended strand (participates in β ladder)trans-98.7140.8179.6-177.2175.8-165.300110.8V127 L132V127-E130 HydrophobicContact CG1-CB 4.08Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 2.84Å
131Q98.1Very high98.2Very high130 Ų13042.5 Ų42.561%0.60724%0.237SC*.EExtended strand (participates in β ladder)trans47.947.7175.1-68.3178.98500112.8V118 N120 D133V118-Q131 HydrophobicContact CG1-CB 3.85Å; V118-Q131 HydrophobicContact CG1-CG 4.29Å; N120-Q131 PolarHBondContact OD1-N 2.8Å; Q131-D133 PolarHBondContact O-N 3Å
132L98.8Very high98.1Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-64.9110.4178.3-179.658.1000110.2F106 V118 F119 V121 V129 E130 I134 K137F106-L132 HydrophobicContact CD2-CD2 4.24Å; F106-L132 HydrophobicContact CE1-CD2 4.17Å; F106-L132 HydrophobicContact CE2-CD2 3.81Å; F106-L132 HydrophobicContact CZ-CD2 3.78Å; V118-L132 WeakPolarHBondContact CA-O 3.38Å; F119-L132 HydrophobicContact CE2-CD2 3.85Å; F119-L132 HydrophobicContact CZ-CD2 3.77Å; F119-L132 HydrophobicContact CZ-CG 4.32Å; F119-L132 PolarHBondContact N-O 2.84Å; F119-L132 WeakPolarHBondContact O-CA 3.17Å; F119-L132 VanDerWaalsContact O-CB 3.32Å; F119-L132 WeakPolarHBondContact O-CB 3.29Å; F119-L132 PolarHBondContact O-N 2.93Å; V121-L132 HydrophobicContact CG2-CD2 4.43Å; V129-L132 HydrophobicContact CG1-CB 3.92Å; V129-L132 HydrophobicContact CG1-CD1 4.25Å; V129-L132 HydrophobicContact CG1-CD2 4.39Å; V129-L132 HydrophobicContact CG1-CG 4.41Å; E130-L132 VanDerWaalsContact C-N 3.28Å; E130-L132 PolarHBondContact O-N 2.84Å; L132-I134 HydrophobicContact CD2-CG1 4.44Å; L132-I134 HydrophobicContact CG-CG1 4.22Å; L132-K137 HydrophobicContact CD1-CD 3.87Å
133D98.7Very high98.1Very high18 Ų1843.5 Ų43.510%0.09624%0.243CC..  trans-113.3101.2169-177.4-16.5000109.1N115 V118 Q131 F135 A136 K137N115-D133 WeakPolarHBondContact CA-OD2 3.34Å; N115-D133 PolarHBondContact N-OD2 3.47Å; V118-D133 HydrophobicContact CG2-CB 4.17Å; Q131-D133 PolarHBondContact O-N 3Å; D133-F135 VanDerWaalsContact C-N 3.31Å; D133-F135 PolarHBondContact O-N 2.71Å; D133-F135 PolarHBondContact OD1-N 2.71Å; D133-F135 VanDerWaalsContact OD1-N 3.09Å; D133-A136 HydrophobicContact CB-CB 3.82Å; D133-A136 PolarHBondContact O-N 2.73Å; D133-A136 PolarHBondContact OD1-N 3.22Å; D133-A136 WeakPolarHBondContact OD2-CB 3.28Å; D133-K137 WeakPolarHBondContact O-CG 3.46Å; D133-K137 PolarHBondContact O-N 2.82Å; D133-K137 VanDerWaalsContact O-N 3.1Å
134I98.6Very high98.1Very high1 Ų144.4 Ų44.41%0.00525%0.247CC..Hα-helixtrans-64.3-39.5-176.4-58.3154.7000110.3F106 E108 F119 L132 K137 V138 H144 K183F106-I134 HydrophobicContact CB-CD1 3.77Å; F106-I134 HydrophobicContact CB-CG1 3.96Å; F106-I134 HydrophobicContact CB-CG2 4.3Å; F106-I134 HydrophobicContact CD1-CD1 3.93Å; F106-I134 HydrophobicContact CG-CD1 4.09Å; F106-I134 HydrophobicContact CG-CG1 4.33Å; E108-I134 HydrophobicContact CB-CB 4.09Å; E108-I134 HydrophobicContact CB-CG2 3.9Å; F119-I134 HydrophobicContact CE1-CD1 4.06Å; F119-I134 HydrophobicContact CZ-CD1 4.12Å; L132-I134 HydrophobicContact CD2-CG1 4.44Å; L132-I134 HydrophobicContact CG-CG1 4.22Å; I134-K137 PolarHBondContact O-N 2.81Å; I134-V138 HydrophobicContact CG2-CG2 4.1Å; I134-V138 WeakPolarHBondContact O-CG2 3.29Å; I134-V138 PolarHBondContact O-N 3.28Å; I134-H144 HydrophobicContact CG2-CB 4.24Å; I134-K183 HydrophobicContact CD1-CD 4.24Å; I134-K183 HydrophobicContact CD1-CG 4.24Å
135F98.4Very high98.2Very high43 Ų4342.8 Ų42.819%0.18924%0.239CC..Hα-helixtrans-65-44.9178.7-172.4-81.7000111E108 F111 T112 P114 D133 K137 G139 R140E108-F135 HydrophobicContact CB-CB 4.39Å; E108-F135 HydrophobicContact CG-CB 4.11Å; E108-F135 HydrophobicContact CG-CD2 4.29Å; F111-F135 WeakPolarHBondContact O-CD2 3.42Å; T112-F135 VanDerWaalsContact CA-CE2 3.48Å; T112-F135 WeakPolarHBondContact O-CE2 3.29Å; T112-F135 WeakPolarHBondContact O-CZ 3.16Å; P114-F135 HydrophobicContact CB-CD1 4.01Å; P114-F135 HydrophobicContact CG-CD1 4.44Å; D133-F135 VanDerWaalsContact C-N 3.31Å; D133-F135 PolarHBondContact O-N 2.71Å; D133-F135 PolarHBondContact OD1-N 2.71Å; D133-F135 VanDerWaalsContact OD1-N 3.09Å; F135-K137 PolarHBondContact O-N 2.77Å; F135-G139 WeakPolarHBondContact O-CA 3.44Å; F135-G139 PolarHBondContact O-N 3.39Å; F135-R140 HydrophobicContact CD2-CB 4.08Å; F135-R140 HydrophobicContact CE2-CB 3.8Å
136A98.1Very high98.2Very high64 Ų6441.8 Ų41.853%0.52922%0.22SC..Hα-helixtrans-63.8-30.2177.800000112.6P114 D133P114-A136 HydrophobicContact CB-CB 3.93Å; D133-A136 HydrophobicContact CB-CB 3.82Å; D133-A136 PolarHBondContact O-N 2.73Å; D133-A136 PolarHBondContact OD1-N 3.22Å; D133-A136 WeakPolarHBondContact OD2-CB 3.28Å
137K97.6Very high98.2Very high100 Ų10042.2 Ų42.244%0.43522%0.219SC..Hα-helixtrans-75.6-45.7178.5-74.8-165.1174.3-152.90113.6L132 D133 I134 F135 H144 E146L132-K137 HydrophobicContact CD1-CD 3.87Å; D133-K137 WeakPolarHBondContact O-CG 3.46Å; D133-K137 PolarHBondContact O-N 2.82Å; D133-K137 VanDerWaalsContact O-N 3.1Å; I134-K137 PolarHBondContact O-N 2.81Å; F135-K137 PolarHBondContact O-N 2.77Å; K137-H144 WeakPolarHBondContact CD-NE2 3.42Å; K137-E146 IonicContact NZ-OE1 3.41Å; K137-E146 PolarHBondContact NZ-OE1 3.03Å
138V97.8Very high98.2Very high16 Ų1639.7 Ų39.710%0.09720%0.204CC..Hα-helixtrans-135.2-5-168.5-590000115I134 V142 H144 I203I134-V138 HydrophobicContact CG2-CG2 4.1Å; I134-V138 WeakPolarHBondContact O-CG2 3.29Å; I134-V138 PolarHBondContact O-N 3.28Å; V138-V142 HydrophobicContact CB-CB 3.93Å; V138-V142 HydrophobicContact CB-CG1 3.77Å; V138-V142 HydrophobicContact CG2-CB 3.9Å; V138-V142 HydrophobicContact CG2-CG1 4.17Å; V138-V142 WeakPolarHBondContact CG2-O 3.35Å; V138-V142 WeakPolarHBondContact O-CB 3.31Å; V138-V142 VanDerWaalsContact O-CG2 3.25Å; V138-V142 WeakPolarHBondContact O-CG2 3.18Å; V138-H144 HydrophobicContact CG1-CB 3.85Å; V138-H144 HydrophobicContact CG2-CB 3.81Å; V138-I203 HydrophobicContact CG1-CD1 3.84Å; V138-I203 HydrophobicContact CG1-CG1 4.49Å
139G97.2Very high98.2Very high20 Ų2041.2 Ų41.221%0.20622%0.215CC..  trans80.4-162.2-171.900000113F135F135-G139 WeakPolarHBondContact O-CA 3.44Å; F135-G139 PolarHBondContact O-N 3.39Å
140R97.3Very high98.2Very high89 Ų8940.8 Ų40.834%0.33621%0.212SC..SBendtrans-94.2144.5-178.7-179.2179.1179.1-160.78.3111.2E108 V109 T112 F135 V142E108-R140 CarbonylContact O-C 3.51Å; E108-R140 VanDerWaalsContact O-CA 3.31Å; E108-R140 WeakPolarHBondContact O-CA 3.44Å; E108-R140 WeakPolarHBondContact O-CG 3.29Å; V109-R140 PolarHBondContact O-NE 3.23Å; V109-R140 VanDerWaalsContact O-NE 3.11Å; V109-R140 PolarHBondContact O-NH2 3.4Å; T112-R140 VanDerWaalsContact CG2-NH1 3.34Å; F135-R140 HydrophobicContact CD2-CB 4.08Å; F135-R140 HydrophobicContact CE2-CB 3.8Å; R140-V142 PolarHBondContact O-N 3.27Å
141A97.7Very high98.2Very high13 Ų1335.9 Ų35.911%0.10719%0.192CC..SBendtrans55.734.1-179.900000113F65 I67 S68 E108F65-A141 HydrophobicContact CB-CB 3.75Å; F65-A141 HydrophobicContact CD1-CB 4.33Å; F65-A141 HydrophobicContact CG-CB 4.12Å; I67-A141 WeakPolarHBondContact CA-O 3.36Å; I67-A141 HydrophobicContact CD1-CB 4.15Å; S68-A141 PolarHBondContact N-O 3.48Å; E108-A141 PolarHBondContact O-N 3.48Å
142V98.3Very high98.2Very high21 Ų2130.1 Ų30.113%0.12717%0.166CC..BIsolated β-bridgetrans-121.1134.9174.1-176.30000108.1R69 V138 R140R69-V142 HydrophobicContact CG-CG1 3.98Å; V138-V142 HydrophobicContact CB-CB 3.93Å; V138-V142 HydrophobicContact CB-CG1 3.77Å; V138-V142 HydrophobicContact CG2-CB 3.9Å; V138-V142 HydrophobicContact CG2-CG1 4.17Å; V138-V142 WeakPolarHBondContact CG2-O 3.35Å; V138-V142 WeakPolarHBondContact O-CB 3.31Å; V138-V142 VanDerWaalsContact O-CG2 3.25Å; V138-V142 WeakPolarHBondContact O-CG2 3.18Å; R140-V142 PolarHBondContact O-N 3.27Å
143A98.6Very high98.1Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-69.9141.3176.200000111.8I67 S68 R69 V70 Y78 L200I67-A143 HydrophobicContact CG2-CB 3.91Å; S68-A143 PolarHBondContact O-N 3.49Å; R69-A143 PolarHBondContact NH1-O 3.47Å; V70-A143 HydrophobicContact CG2-CB 3.17Å; Y78-A143 HydrophobicContact CD1-CB 3.56Å; Y78-A143 HydrophobicContact CD2-CB 4.46Å; Y78-A143 HydrophobicContact CE1-CB 3.41Å; Y78-A143 VanDerWaalsContact CE1-CB 3.41Å; Y78-A143 HydrophobicContact CE2-CB 4.33Å; Y78-A143 HydrophobicContact CG-CB 4.09Å; A143-L200 HydrophobicContact CB-CD1 3.79Å; A143-L200 HydrophobicContact CB-CD2 4.25Å
144H98.4Very high98Very high18 Ų1841.2 Ų41.28%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-136.9128.8175.4179.756.9000109.5F106 I134 K137 V138 E146F106-H144 WeakPolarHBondContact CA-O 3.43Å; F106-H144 HydrophobicContact CB-CB 4.38Å; F106-H144 WeakPolarHBondContact CB-O 3.26Å; F106-H144 PolarHBondContact N-O 2.79Å; F106-H144 PolarHBondContact O-N 3.09Å; I134-H144 HydrophobicContact CG2-CB 4.24Å; K137-H144 WeakPolarHBondContact CD-NE2 3.42Å; V138-H144 HydrophobicContact CG1-CB 3.85Å; V138-H144 HydrophobicContact CG2-CB 3.81Å; H144-E146 IonicContact CD2-OE1 2.7Å; H144-E146 IonicContact CE1-OE1 2.56Å; H144-E146 PolarHBondContact CE1-OE1 3.13Å; H144-E146 IonicContact NE2-OE1 3.94Å; H144-E146 PolarHBondContact NE2-OE1 3.17Å
145D98.6Very high97.8Very high14 Ų1442.9 Ų42.98%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-118.3135.2177.5-73.52.2000109.6Y78 L104 K105 Y147 L200Y78-D145 WeakPolarHBondContact CE1-OD1 3.39Å; Y78-D145 PolarHBondContact OH-OD1 2.76Å; Y78-D145 PolarHBondContact OH-OD2 2.89Å; Y78-D145 VanDerWaalsContact OH-OD2 3.05Å; L104-D145 CarbonylContact O-C 3.54Å; L104-D145 VanDerWaalsContact O-CA 3.24Å; L104-D145 WeakPolarHBondContact O-CA 3.41Å; K105-D145 WeakPolarHBondContact CA-OD1 3.44Å; K105-D145 IonicContact NZ-OD2 3.51Å; D145-Y147 HydrophobicContact CB-CE1 4.33Å; D145-Y147 HydrophobicContact CB-CE2 3.87Å; D145-Y147 WeakPolarHBondContact CB-OH 3.46Å; D145-L200 HydrophobicContact CB-CD1 3.93Å; D145-L200 HydrophobicContact CB-CG 4.39Å
146E98.5Very high97.8Very high30 Ų3043.6 Ų43.614%0.1424%0.243CC..EExtended strand (participates in β ladder)trans-103.1136.2166.3-65.8-67.9168.500109.6V103 L104 F106 V129 K137 H144V103-E146 WeakPolarHBondContact CA-O 3.45Å; L104-E146 HydrophobicContact CB-CB 4.26Å; L104-E146 HydrophobicContact CD1-CB 4.37Å; L104-E146 PolarHBondContact N-O 3.22Å; L104-E146 PolarHBondContact O-N 2.99Å; F106-E146 HydrophobicContact CD2-CG 4.37Å; F106-E146 HydrophobicContact CE2-CB 4.21Å; F106-E146 HydrophobicContact CE2-CG 3.89Å; V129-E146 HydrophobicContact CG1-CG 4.43Å; V129-E146 HydrophobicContact CG2-CB 4.32Å; V129-E146 HydrophobicContact CG2-CG 4.16Å; K137-E146 IonicContact NZ-OE1 3.41Å; K137-E146 PolarHBondContact NZ-OE1 3.03Å; H144-E146 IonicContact CD2-OE1 2.7Å; H144-E146 IonicContact CE1-OE1 2.56Å; H144-E146 PolarHBondContact CE1-OE1 3.13Å; H144-E146 IonicContact NE2-OE1 3.94Å; H144-E146 PolarHBondContact NE2-OE1 3.17Å
147Y98.2Very high97.8Very high54 Ų5440.6 Ų40.621%0.21222%0.218CC..EExtended strand (participates in β ladder)trans-118.2115.9-179.8-51.2-90.7000109.3V103 D145 P149 L194 V197 K199V103-Y147 HydrophobicContact CG1-CD1 4.1Å; V103-Y147 HydrophobicContact CG1-CE1 3.97Å; V103-Y147 HydrophobicContact CG2-CD1 3.95Å; V103-Y147 HydrophobicContact CG2-CE1 4.38Å; D145-Y147 HydrophobicContact CB-CE1 4.33Å; D145-Y147 HydrophobicContact CB-CE2 3.87Å; D145-Y147 WeakPolarHBondContact CB-OH 3.46Å; Y147-P149 WeakPolarHBondContact O-CD 3.28Å; Y147-L194 VanDerWaalsContact CB-CD1 3.46Å; Y147-L194 HydrophobicContact CD1-CD1 4.28Å; Y147-L194 HydrophobicContact CG-CD1 3.95Å; Y147-V197 HydrophobicContact CD1-CG1 3.83Å; Y147-V197 HydrophobicContact CE1-CG1 3.7Å; Y147-K199 HydrophobicContact CD1-CD 4.36Å; Y147-K199 HydrophobicContact CE1-CD 3.71Å; Y147-K199 HydrophobicContact CE2-CD 3.98Å
148V98.3Very high97.8Very high10 Ų1038.6 Ų38.66%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-114.997.3-178.4-172.90000108.8L102 L123 V128 I159L102-V148 HydrophobicContact CB-CB 4.3Å; L102-V148 PolarHBondContact N-O 2.81Å; L102-V148 PolarHBondContact O-N 3.02Å; L123-V148 HydrophobicContact CD1-CB 4.4Å; L123-V148 HydrophobicContact CD1-CG1 3.65Å; V128-V148 HydrophobicContact CB-CG1 4.02Å; V128-V148 HydrophobicContact CB-CG2 4.42Å; V128-V148 HydrophobicContact CG1-CG1 4.09Å; V128-V148 HydrophobicContact CG2-CG1 4.18Å; V128-V148 HydrophobicContact CG2-CG2 4.04Å; V148-I159 HydrophobicContact CG1-CG2 4.49Å
149P98.2Very high97.8Very high72 Ų7238.6 Ų38.647%0.46821%0.211SC..EExtended strand (participates in β ladder)trans-70.6137.5172.429.5-33.2000110.1Y100 Y147Y100-P149 WeakPolarHBondContact O-CA 3.19Å; Y147-P149 WeakPolarHBondContact O-CD 3.28Å
150F98.4Very high97.7Very high5 Ų541.2 Ų41.22%0.02224%0.238CC..EExtended strand (participates in β ladder)trans-147.2164174.269.4-87.4000110.5I94 Y100 L102 V152 L157 L158 I159 L170 V189I94-F150 HydrophobicContact CD1-CE2 4.49Å; I94-F150 HydrophobicContact CD1-CZ 4.15Å; I94-F150 HydrophobicContact CG1-CE2 4.44Å; Y100-F150 HydrophobicContact CD2-CD2 4.32Å; Y100-F150 AromaticContact CD2-CE2 3.74Å; Y100-F150 HydrophobicContact CD2-CE2 3.74Å; Y100-F150 HydrophobicContact CD2-CZ 4.2Å; Y100-F150 AromaticContact CG-CE2 3.88Å; Y100-F150 HydrophobicContact CG-CE2 3.88Å; Y100-F150 AromaticContact CG-CZ 3.84Å; Y100-F150 HydrophobicContact CG-CZ 3.84Å; Y100-F150 PolarHBondContact N-O 3.21Å; Y100-F150 PolarHBondContact O-N 3.29Å; L102-F150 HydrophobicContact CB-CD1 4.49Å; L102-F150 HydrophobicContact CB-CE1 4.12Å; F150-V152 HydrophobicContact CD2-CG2 4.32Å; F150-V152 HydrophobicContact CE2-CG2 4.15Å; F150-L157 HydrophobicContact CB-CD1 4.12Å; F150-L157 HydrophobicContact CD2-CD1 3.41Å; F150-L157 VanDerWaalsContact CD2-CD1 3.41Å; F150-L157 HydrophobicContact CE2-CD1 4.13Å; F150-L157 HydrophobicContact CG-CD1 4.07Å; F150-L158 CarbonylContact C-O 3.43Å; F150-L158 VanDerWaalsContact CA-O 3.28Å; F150-L158 WeakPolarHBondContact CA-O 3.36Å; F150-L158 WeakPolarHBondContact CB-O 3.3Å; F150-I159 HydrophobicContact CB-CG1 3.92Å; F150-L170 HydrophobicContact CE1-CD2 3.92Å; F150-L170 HydrophobicContact CE2-CD1 4.47Å; F150-L170 HydrophobicContact CE2-CD2 4.38Å; F150-L170 HydrophobicContact CZ-CD2 3.69Å; F150-V189 HydrophobicContact CE1-CG1 4.2Å; F150-V189 HydrophobicContact CZ-CG1 3.91Å
151S98.2Very high97.6Very high35 Ų3544.7 Ų44.725%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-132.5147.3174.3-47.40000110.8G98 L158G98-S151 CarbonylContact O-C 3.53Å; G98-S151 VanDerWaalsContact O-CA 3.25Å; G98-S151 WeakPolarHBondContact O-CA 3.37Å; S151-L158 PolarHBondContact N-O 3.17Å; S151-L158 WeakPolarHBondContact O-CD1 3.14Å; S151-L158 PolarHBondContact O-N 3.15Å
152V98.4Very high97.6Very high9 Ų949.2 Ų49.26%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-110.2123.4170.3-177.70000108I94 D97 G98 Y100 F150 N156 L157 F166I94-V152 HydrophobicContact CG2-CG2 3.98Å; D97-V152 CarbonylContact C-O 3.59Å; D97-V152 VanDerWaalsContact CA-O 3.23Å; D97-V152 WeakPolarHBondContact CA-O 3.44Å; D97-V152 VanDerWaalsContact CB-O 3.31Å; D97-V152 WeakPolarHBondContact CB-O 3.42Å; G98-V152 PolarHBondContact N-O 3.03Å; G98-V152 PolarHBondContact O-N 3.21Å; Y100-V152 HydrophobicContact CD2-CG2 4.42Å; Y100-V152 HydrophobicContact CE2-CB 4.41Å; Y100-V152 HydrophobicContact CE2-CG2 4.28Å; F150-V152 HydrophobicContact CD2-CG2 4.32Å; F150-V152 HydrophobicContact CE2-CG2 4.15Å; V152-N156 WeakPolarHBondContact CA-O 3.42Å; V152-L157 HydrophobicContact CG2-CD1 4.3Å; V152-F166 HydrophobicContact CB-CD1 4.5Å; V152-F166 HydrophobicContact CB-CE1 4.49Å; V152-F166 HydrophobicContact CG1-CD1 3.66Å; V152-F166 HydrophobicContact CG1-CE1 3.93Å; V152-F166 HydrophobicContact CG2-CD1 3.97Å; V152-F166 HydrophobicContact CG2-CE1 3.66Å; V152-F166 HydrophobicContact CG2-CZ 4.35Å
153K97.8Very high97.6Very high125 Ų12552.3 Ų52.354%0.54330%0.301SS..EExtended strand (participates in β ladder)trans-148.3124.4-179.4-171.7174.7-178.1175.50111.7D97 G155 N156 L158D97-K153 WeakPolarHBondContact OD2-CA 3.45Å; K153-G155 VanDerWaalsContact C-N 3.28Å; K153-G155 PolarHBondContact O-N 3.05Å; K153-N156 PolarHBondContact N-O 3.36Å; K153-N156 WeakPolarHBondContact O-CB 3.38Å; K153-N156 PolarHBondContact O-N 2.61Å; K153-N156 PolarHBondContact O-ND2 2.77Å; K153-L158 HydrophobicContact CB-CD1 3.91Å
154N95.7Very high97.5Very high127 Ų12754.5 Ų54.568%0.67931%0.312SS*.THydrogen-bonded Turntrans52.543.7176.2-60.6-38.3000112.7D97 N156D97-N154 PolarHBondContact OD2-N 3.24Å; N154-N156 VanDerWaalsContact C-N 3.29Å; N154-N156 PolarHBondContact O-N 3.16Å; N154-N156 PolarHBondContact O-ND2 3.03Å
155G94.9Very high97.4Very high36 Ų3659 Ų5937%0.37135%0.345SS..THydrogen-bonded Turntrans7316.4-179.200000115K153 F166K153-G155 VanDerWaalsContact C-N 3.28Å; K153-G155 PolarHBondContact O-N 3.05Å; G155-F166 PolarHBondContact O-N 3.09Å; G155-F166 VanDerWaalsContact O-O 3.14Å
156N97.9Very high97.4Very high58 Ų5859.1 Ų59.131%0.3135%0.345SS..EExtended strand (participates in β ladder)trans-118.1147.7174.4-52.8-68.3000110.9V152 K153 N154 L158 V163 L164V152-N156 WeakPolarHBondContact CA-O 3.42Å; K153-N156 PolarHBondContact N-O 3.36Å; K153-N156 WeakPolarHBondContact O-CB 3.38Å; K153-N156 PolarHBondContact O-N 2.61Å; K153-N156 PolarHBondContact O-ND2 2.77Å; N154-N156 VanDerWaalsContact C-N 3.29Å; N154-N156 PolarHBondContact O-N 3.16Å; N154-N156 PolarHBondContact O-ND2 3.03Å; N156-L158 HydrophobicContact CB-CD1 4.32Å; N156-V163 HydrophobicContact CB-CG1 3.82Å; N156-L164 CarbonylContact C-O 3.6Å; N156-L164 VanDerWaalsContact CA-O 3.29Å; N156-L164 WeakPolarHBondContact CA-O 3.14Å
157L98.2Very high97.2Very high0 Ų063.8 Ų63.80%037%0.371CS..EExtended strand (participates in β ladder)trans-101.4120.2171.3174.864000108N124 F150 V152 I159 L164 F166 L170N124-L157 HydrophobicContact CB-CD2 4.07Å; F150-L157 HydrophobicContact CB-CD1 4.12Å; F150-L157 HydrophobicContact CD2-CD1 3.41Å; F150-L157 VanDerWaalsContact CD2-CD1 3.41Å; F150-L157 HydrophobicContact CE2-CD1 4.13Å; F150-L157 HydrophobicContact CG-CD1 4.07Å; V152-L157 HydrophobicContact CG2-CD1 4.3Å; L157-I159 HydrophobicContact CD1-CD1 4.45Å; L157-I159 HydrophobicContact CD1-CG1 4.26Å; L157-I159 HydrophobicContact CD2-CD1 3.84Å; L157-I159 HydrophobicContact CD2-CG1 4.46Å; L157-I159 HydrophobicContact CG-CD1 3.93Å; L157-I159 HydrophobicContact CG-CG1 4.01Å; L157-L164 HydrophobicContact CB-CB 4.4Å; L157-L164 HydrophobicContact CD2-CD1 4.49Å; L157-L164 PolarHBondContact N-O 2.96Å; L157-L164 PolarHBondContact O-N 2.84Å; L157-F166 HydrophobicContact CB-CB 3.76Å; L157-F166 HydrophobicContact CB-CD2 3.75Å; L157-F166 HydrophobicContact CB-CE2 4.48Å; L157-F166 HydrophobicContact CB-CG 3.82Å; L157-F166 HydrophobicContact CD2-CD2 3.95Å; L157-F166 HydrophobicContact CD2-CE2 4.12Å; L157-F166 HydrophobicContact CG-CD2 4.33Å; L157-L170 HydrophobicContact CD1-CD1 4.19Å; L157-L170 HydrophobicContact CD2-CD1 3.87Å
158L98.3Very high97.2Very high58 Ų5862.1 Ų62.130%0.30437%0.371SS..EExtended strand (participates in β ladder)trans-107.3120.2-179.1-62.186000108.4F150 S151 K153 N156 E162 V163F150-L158 CarbonylContact C-O 3.43Å; F150-L158 VanDerWaalsContact CA-O 3.28Å; F150-L158 WeakPolarHBondContact CA-O 3.36Å; F150-L158 WeakPolarHBondContact CB-O 3.3Å; S151-L158 PolarHBondContact N-O 3.17Å; S151-L158 WeakPolarHBondContact O-CD1 3.14Å; S151-L158 PolarHBondContact O-N 3.15Å; K153-L158 HydrophobicContact CB-CD1 3.91Å; N156-L158 HydrophobicContact CB-CD1 4.32Å; L158-E162 WeakPolarHBondContact CA-O 3.41Å; L158-V163 HydrophobicContact CG-CG2 4.41Å
159I97.8Very high97.1Very high17 Ų1767.1 Ų67.19%0.08739%0.392CS..EExtended strand (participates in β ladder)trans-130.3106.1179.2-58.1166.4000107.4L123 L126 V128 V148 F150 L157 N161 E162L123-I159 HydrophobicContact CB-CD1 3.65Å; L123-I159 HydrophobicContact CD1-CD1 4.03Å; L123-I159 HydrophobicContact CG-CD1 4.41Å; L126-I159 HydrophobicContact CD2-CB 4.01Å; L126-I159 HydrophobicContact CD2-CD1 4.12Å; L126-I159 HydrophobicContact CD2-CG2 4.23Å; V128-I159 HydrophobicContact CG1-CD1 4.44Å; V128-I159 HydrophobicContact CG1-CG2 3.76Å; V148-I159 HydrophobicContact CG1-CG2 4.49Å; F150-I159 HydrophobicContact CB-CG1 3.92Å; L157-I159 HydrophobicContact CD1-CD1 4.45Å; L157-I159 HydrophobicContact CD1-CG1 4.26Å; L157-I159 HydrophobicContact CD2-CD1 3.84Å; L157-I159 HydrophobicContact CD2-CG1 4.46Å; L157-I159 HydrophobicContact CG-CD1 3.93Å; L157-I159 HydrophobicContact CG-CG1 4.01Å; I159-N161 PolarHBondContact O-N 2.99Å; I159-N161 VanDerWaalsContact O-N 3.15Å; I159-E162 PolarHBondContact N-O 2.93Å; I159-E162 PolarHBondContact O-N 2.81Å
160G94.5Very high97.1Very high74 Ų7463.7 Ų63.776%0.76337%0.369SS*.THydrogen-bonded Turntrans58.2-118.2-169.500000111
161N95.7Very high97.1Very high163 Ų16363.8 Ų63.887%0.87237%0.371SS*.THydrogen-bonded Turntrans-94.7-6.7177.7-65.4-26.5000113.5I159I159-N161 PolarHBondContact O-N 2.99Å; I159-N161 VanDerWaalsContact O-N 3.15Å
162E97.7Very high97.2Very high107 Ų10762.1 Ų62.150%0.536%0.359SS..EExtended strand (participates in β ladder)trans-86.9142.5-176.6-61.7-60.9151.200110.8L126 L158 I159L126-E162 HydrophobicContact CD1-CG 4.09Å; L126-E162 HydrophobicContact CD2-CB 3.56Å; L126-E162 HydrophobicContact CD2-CG 3.78Å; L158-E162 WeakPolarHBondContact CA-O 3.41Å; I159-E162 PolarHBondContact N-O 2.93Å; I159-E162 PolarHBondContact O-N 2.81Å
163V97.7Very high97.2Very high87 Ų8764 Ų6453%0.52737%0.368SS..EExtended strand (participates in β ladder)trans-126.6117.8178.7-1760000109N156 L158N156-V163 HydrophobicContact CB-CG1 3.82Å; L158-V163 HydrophobicContact CG-CG2 4.41Å
164L97.1Very high97.2Very high46 Ų4658 Ų5824%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-113.1144.3178.6-56.9176.6000110.2N124 L126 N156 L157 F166N124-L164 HydrophobicContact CB-CD1 4.18Å; L126-L164 HydrophobicContact CB-CD1 3.87Å; L126-L164 HydrophobicContact CD2-CD1 4.47Å; N156-L164 CarbonylContact C-O 3.6Å; N156-L164 VanDerWaalsContact CA-O 3.29Å; N156-L164 WeakPolarHBondContact CA-O 3.14Å; L157-L164 HydrophobicContact CB-CB 4.4Å; L157-L164 HydrophobicContact CD2-CD1 4.49Å; L157-L164 PolarHBondContact N-O 2.96Å; L157-L164 PolarHBondContact O-N 2.84Å; L164-F166 PolarHBondContact O-N 3.29Å
165S96.5Very high97.4Very high111 Ų11154.2 Ų54.278%0.77632%0.321SS*.EExtended strand (participates in β ladder)trans-64.4134.6168-174.80000109.6
166F97.2Very high97.6Very high17 Ų1755.2 Ų55.28%0.07532%0.315CS..  trans-129130.6-170.8-169.5-118.2000112.2I94 V152 G155 L157 L164 K169 L170I94-F166 HydrophobicContact CB-CE1 4.03Å; I94-F166 HydrophobicContact CB-CZ 4.07Å; I94-F166 HydrophobicContact CG1-CE1 4.32Å; I94-F166 HydrophobicContact CG1-CZ 3.88Å; V152-F166 HydrophobicContact CB-CD1 4.5Å; V152-F166 HydrophobicContact CB-CE1 4.49Å; V152-F166 HydrophobicContact CG1-CD1 3.66Å; V152-F166 HydrophobicContact CG1-CE1 3.93Å; V152-F166 HydrophobicContact CG2-CD1 3.97Å; V152-F166 HydrophobicContact CG2-CE1 3.66Å; V152-F166 HydrophobicContact CG2-CZ 4.35Å; G155-F166 PolarHBondContact O-N 3.09Å; G155-F166 VanDerWaalsContact O-O 3.14Å; L157-F166 HydrophobicContact CB-CB 3.76Å; L157-F166 HydrophobicContact CB-CD2 3.75Å; L157-F166 HydrophobicContact CB-CE2 4.48Å; L157-F166 HydrophobicContact CB-CG 3.82Å; L157-F166 HydrophobicContact CD2-CD2 3.95Å; L157-F166 HydrophobicContact CD2-CE2 4.12Å; L157-F166 HydrophobicContact CG-CD2 4.33Å; L164-F166 PolarHBondContact O-N 3.29Å; F166-K169 WeakPolarHBondContact CE2-O 3.33Å; F166-L170 HydrophobicContact CE2-CB 4.32Å; F166-L170 HydrophobicContact CE2-CD1 4.45Å; F166-L170 HydrophobicContact CZ-CB 4.3Å
167N95.3Very high97.6Very high128 Ų12854.3 Ų54.368%0.68431%0.311SS*.  trans-104.516-177.665.80.9000113.1K169N167-K169 VanDerWaalsContact C-N 3.33Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 3.04Å; N167-K169 VanDerWaalsContact OD1-N 3.08Å
168G96.4Very high97.5Very high20 Ų2060.6 Ų60.621%0.20635%0.345CS..SBendtrans83.70.5-176.700000114.8R93 I94R93-G168 WeakPolarHBondContact CA-O 3.41Å; I94-G168 PolarHBondContact N-O 2.91Å
169K97.9Very high97.4Very high114 Ų11461 Ų6150%0.49635%0.345SS..EExtended strand (participates in β ladder)trans-113.4114.7175.1-63.2-176.4178.7-177.40110.8I92 N124 F166 N167I92-K169 WeakPolarHBondContact O-CA 3.32Å; N124-K169 PolarHBondContact ND2-O 2.85Å; F166-K169 WeakPolarHBondContact CE2-O 3.33Å; N167-K169 VanDerWaalsContact C-N 3.33Å; N167-K169 WeakPolarHBondContact OD1-CB 3.39Å; N167-K169 PolarHBondContact OD1-N 3.04Å; N167-K169 VanDerWaalsContact OD1-N 3.08Å
170L98.5Very high97.4Very high0 Ų062.6 Ų62.60%035%0.353CS..EExtended strand (participates in β ladder)trans-85111.8171.9-172.675000108.8I92 I94 L123 N124 F150 L157 F166 V172 V189I92-L170 HydrophobicContact CB-CB 4.37Å; I92-L170 PolarHBondContact N-O 2.82Å; I92-L170 PolarHBondContact O-N 2.78Å; I94-L170 HydrophobicContact CD1-CB 4.37Å; I94-L170 HydrophobicContact CD1-CD2 4.49Å; I94-L170 HydrophobicContact CG1-CB 3.99Å; L123-L170 HydrophobicContact CB-CD1 4.32Å; L123-L170 HydrophobicContact CD1-CD1 4.34Å; L123-L170 HydrophobicContact CD2-CD1 4.46Å; L123-L170 HydrophobicContact CD2-CG 4.5Å; N124-L170 WeakPolarHBondContact OD1-CA 3.33Å; F150-L170 HydrophobicContact CE1-CD2 3.92Å; F150-L170 HydrophobicContact CE2-CD1 4.47Å; F150-L170 HydrophobicContact CE2-CD2 4.38Å; F150-L170 HydrophobicContact CZ-CD2 3.69Å; L157-L170 HydrophobicContact CD1-CD1 4.19Å; L157-L170 HydrophobicContact CD2-CD1 3.87Å; F166-L170 HydrophobicContact CE2-CB 4.32Å; F166-L170 HydrophobicContact CE2-CD1 4.45Å; F166-L170 HydrophobicContact CZ-CB 4.3Å; L170-V172 HydrophobicContact CD2-CG2 4.13Å; L170-V172 HydrophobicContact CG-CG2 4.28Å; L170-V189 HydrophobicContact CD2-CG2 4.2Å
171A98.4Very high97.6Very high7 Ų760.4 Ų60.46%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-90.1108.5174.100000108.8L123 N124 Q173L123-A171 VanDerWaalsContact CA-O 3.32Å; L123-A171 WeakPolarHBondContact CA-O 3.32Å; N124-A171 PolarHBondContact N-O 3.01Å; N124-A171 PolarHBondContact OD1-N 2.91Å; A171-Q173 HydrophobicContact CB-CG 4.34Å
172V98.8Very high97.7Very high0 Ų052.7 Ų52.70%028%0.282CS..EExtended strand (participates in β ladder)trans-93.8101.9175.3-175.50000108.3E89 Y90 I92 L102 L104 L123 L170 F174E89-V172 CarbonylContact C-O 3.48Å; E89-V172 WeakPolarHBondContact CA-O 3.19Å; E89-V172 WeakPolarHBondContact CB-O 3.42Å; Y90-V172 PolarHBondContact N-O 2.8Å; Y90-V172 PolarHBondContact O-N 2.85Å; I92-V172 HydrophobicContact CD1-CG2 4.02Å; L102-V172 HydrophobicContact CD1-CG2 4.2Å; L102-V172 HydrophobicContact CD2-CG1 3.96Å; L102-V172 HydrophobicContact CD2-CG2 3.9Å; L104-V172 HydrophobicContact CD2-CG1 3.97Å; L123-V172 HydrophobicContact CD2-CB 4.21Å; L123-V172 HydrophobicContact CD2-CG1 4.2Å; L123-V172 HydrophobicContact CD2-CG2 3.85Å; L170-V172 HydrophobicContact CD2-CG2 4.13Å; L170-V172 HydrophobicContact CG-CG2 4.28Å; V172-F174 HydrophobicContact CG1-CE2 4.1Å; V172-F174 HydrophobicContact CG1-CZ 4.07Å
173Q98.7Very high97.8Very high49 Ų4947.6 Ų47.623%0.22926%0.259CS..EExtended strand (participates in β ladder)trans-104.3131.4-170.7-56.9-177.9-48.400111E89 V121 A122 A171 I175E89-Q173 HydrophobicContact CB-CB 4.31Å; E89-Q173 HydrophobicContact CB-CG 3.8Å; E89-Q173 WeakPolarHBondContact OE2-CG 3.5Å; E89-Q173 PolarHBondContact OE2-NE2 3.42Å; V121-Q173 CarbonylContact C-O 3.24Å; V121-Q173 VanDerWaalsContact CA-O 3.27Å; V121-Q173 WeakPolarHBondContact CA-O 3.35Å; A122-Q173 HydrophobicContact CB-CB 4.26Å; A122-Q173 PolarHBondContact N-O 2.81Å; A122-Q173 PolarHBondContact O-N 3.05Å; A171-Q173 HydrophobicContact CB-CG 4.34Å; Q173-I175 HydrophobicContact CB-CG1 4.32Å
174F98.8Very high97.8Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-106108.3170.9-55.6-91.2000108.2S87 F88 Y90 L104 F106 F119 V121 V172 P182 V184 L187S87-F174 VanDerWaalsContact CA-O 3.22Å; S87-F174 WeakPolarHBondContact CA-O 3.32Å; S87-F174 WeakPolarHBondContact CB-O 3.34Å; F88-F174 HydrophobicContact CD1-CB 4.11Å; F88-F174 AromaticContact CD2-CD2 3.94Å; F88-F174 HydrophobicContact CD2-CD2 3.94Å; F88-F174 HydrophobicContact CE1-CB 3.72Å; F88-F174 HydrophobicContact CE1-CD2 4.26Å; F88-F174 HydrophobicContact CE1-CG 4.15Å; F88-F174 HydrophobicContact CE2-CB 4.43Å; F88-F174 AromaticContact CE2-CD2 3.44Å; F88-F174 HydrophobicContact CE2-CD2 3.44Å; F88-F174 VanDerWaalsContact CE2-CD2 3.44Å; F88-F174 AromaticContact CE2-CE2 3.98Å; F88-F174 HydrophobicContact CE2-CE2 3.98Å; F88-F174 HydrophobicContact CE2-CG 4.11Å; F88-F174 HydrophobicContact CZ-CB 3.91Å; F88-F174 AromaticContact CZ-CD2 3.63Å; F88-F174 HydrophobicContact CZ-CD2 3.63Å; F88-F174 HydrophobicContact CZ-CE2 4.35Å; F88-F174 AromaticContact CZ-CG 3.81Å; F88-F174 HydrophobicContact CZ-CG 3.81Å; F88-F174 PolarHBondContact N-O 2.77Å; F88-F174 VanDerWaalsContact N-O 3.13Å; F88-F174 PolarHBondContact O-N 2.82Å; Y90-F174 AromaticContact CD2-CE2 3.89Å; Y90-F174 HydrophobicContact CD2-CE2 3.89Å; Y90-F174 HydrophobicContact CE2-CE2 4.08Å; L104-F174 HydrophobicContact CD2-CE1 4.43Å; L104-F174 HydrophobicContact CD2-CZ 4.07Å; F106-F174 AromaticContact CE1-CE1 3.98Å; F106-F174 HydrophobicContact CE1-CE1 3.98Å; F106-F174 AromaticContact CZ-CE1 3.99Å; F106-F174 HydrophobicContact CZ-CE1 3.99Å; F119-F174 HydrophobicContact CD2-CD1 4.46Å; F119-F174 AromaticContact CE2-CD1 3.95Å; F119-F174 HydrophobicContact CE2-CD1 3.95Å; V121-F174 HydrophobicContact CG2-CD1 4Å; V121-F174 HydrophobicContact CG2-CE1 4.19Å; V172-F174 HydrophobicContact CG1-CE2 4.1Å; V172-F174 HydrophobicContact CG1-CZ 4.07Å; F174-P182 HydrophobicContact CB-CB 3.76Å; F174-V184 HydrophobicContact CD1-CB 4.32Å; F174-V184 HydrophobicContact CD2-CG1 4.49Å; F174-V184 HydrophobicContact CE1-CB 3.6Å; F174-V184 HydrophobicContact CE1-CG1 4.13Å; F174-V184 HydrophobicContact CE1-CG2 3.95Å; F174-V184 HydrophobicContact CE2-CB 4.24Å; F174-V184 HydrophobicContact CE2-CG1 3.85Å; F174-V184 HydrophobicContact CZ-CB 3.55Å; F174-V184 HydrophobicContact CZ-CG1 3.64Å; F174-V184 HydrophobicContact CZ-CG2 3.75Å; F174-L187 HydrophobicContact CE2-CD2 4.5Å; F174-L187 HydrophobicContact CZ-CD2 4.3Å
175I98.7Very high97.9Very high46 Ų4641.3 Ų41.324%0.23622%0.222CC..EExtended strand (participates in β ladder)trans-98.9119.9-166.8-58.1171.5000109.6S87 F119 N120 A122 V127 Q173S87-I175 WeakPolarHBondContact OG-CA 3.5Å; F119-I175 WeakPolarHBondContact CB-O 3.48Å; N120-I175 HydrophobicContact CB-CB 4.16Å; N120-I175 PolarHBondContact N-O 2.88Å; N120-I175 VanDerWaalsContact N-O 3.07Å; N120-I175 PolarHBondContact O-N 2.93Å; A122-I175 HydrophobicContact CB-CD1 3.58Å; A122-I175 HydrophobicContact CB-CG1 4.48Å; V127-I175 HydrophobicContact CG2-CD1 4.32Å; Q173-I175 HydrophobicContact CB-CG1 4.32Å
176K98.5Very high98Very high58 Ų5836 Ų3625%0.25219%0.185SC..EExtended strand (participates in β ladder)trans-66.7141.4175.6-177169.5179.573.40111.4S85 S87 K179 N181 P182S85-K176 WeakPolarHBondContact O-CD 3.01Å; S85-K176 WeakPolarHBondContact O-CE 3.23Å; S87-K176 PolarHBondContact OG-N 2.96Å; K176-K179 PolarHBondContact NZ-O 3.13Å; K176-N181 PolarHBondContact NZ-OD1 2.8Å; K176-P182 HydrophobicContact CB-CG 4.09Å
177T97.9Very high98.1Very high38 Ų3835.2 Ų35.223%0.23318%0.182CC..  trans-111.7-161.617469.50000110.4V118 K179V118-T177 PolarHBondContact O-OG1 3.27Å; T177-K179 PolarHBondContact O-N 2.82Å; T177-K179 PolarHBondContact OG1-N 2.96Å
178D96.9Very high98.2Very high132 Ų13229.4 Ų29.471%0.70615%0.151SC*.SBendtrans-71.8-5.3171.271.9-44.6000113.7
179K96.9Very high98.3Very high68 Ų6828.5 Ų28.530%0.29614%0.141SC..SBendtrans-93.8-165.8179.2-53.5-51.5-179.9-150.30112.5V118 K176 T177V118-K179 HydrophobicContact CB-CB 4.11Å; V118-K179 HydrophobicContact CB-CG 3.75Å; V118-K179 HydrophobicContact CG2-CB 4.45Å; V118-K179 HydrophobicContact CG2-CG 3.91Å; K176-K179 PolarHBondContact NZ-O 3.13Å; T177-K179 PolarHBondContact O-N 2.82Å; T177-K179 PolarHBondContact OG1-N 2.96Å
180D97.4Very high98.3Very high49 Ų4923 Ų2326%0.26212%0.117SC..SBendtrans-61.1178.1176-167.746.3000112.7F111 R116 K117F111-D180 HydrophobicContact CE2-CB 3.66Å; F111-D180 WeakPolarHBondContact CE2-OD2 3.46Å; F111-D180 HydrophobicContact CZ-CB 3.92Å; R116-D180 WeakPolarHBondContact O-CB 3.33Å; R116-D180 PolarHBondContact O-N 2.71Å; K117-D180 HydrophobicContact CB-CB 4.14Å; K117-D180 VanDerWaalsContact CE-OD2 3.23Å; K117-D180 WeakPolarHBondContact CE-OD2 3.24Å; K117-D180 HydrophobicContact CG-CB 4.2Å; K117-D180 IonicContact NZ-OD2 3.01Å; K117-D180 PolarHBondContact NZ-OD2 2.87Å
181N98.4Very high98.2Very high29 Ų2926.9 Ų26.916%0.15513%0.132CC..  trans-66.3136.4-169.9-64.8-21.5000113.4Y83 H84 S85 K117 K176Y83-N181 HydrophobicContact CD2-CB 3.98Å; H84-N181 WeakPolarHBondContact O-CB 3.18Å; S85-N181 WeakPolarHBondContact CA-OD1 3.39Å; K117-N181 VanDerWaalsContact CD-O 3.29Å; K117-N181 WeakPolarHBondContact CD-O 3.44Å; K117-N181 WeakPolarHBondContact CG-O 3.41Å; K176-N181 PolarHBondContact NZ-OD1 2.8Å
182P98.7Very high98.1Very high0 Ų027.3 Ų27.30%014%0.137CC..  trans-58.8148.5166.425-34.1000110.6Y83 H84 D86 F88 F119 F174 K176Y83-P182 WeakPolarHBondContact CA-O 3.39Å; Y83-P182 WeakPolarHBondContact CB-O 3.4Å; H84-P182 PolarHBondContact N-O 3.13Å; H84-P182 WeakPolarHBondContact O-CD 3.49Å; D86-P182 WeakPolarHBondContact O-CG 2.94Å; F88-P182 HydrophobicContact CD1-CB 4.49Å; F88-P182 HydrophobicContact CD1-CG 4.11Å; F88-P182 HydrophobicContact CE1-CB 3.97Å; F88-P182 HydrophobicContact CE1-CG 4.01Å; F119-P182 HydrophobicContact CB-CB 3.88Å; F119-P182 HydrophobicContact CD1-CB 4.48Å; F119-P182 HydrophobicContact CD2-CB 3.99Å; F119-P182 HydrophobicContact CG-CB 3.87Å; F174-P182 HydrophobicContact CB-CB 3.76Å; K176-P182 HydrophobicContact CB-CG 4.09Å
183K98.7Very high97.9Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-147.3167178.171.1156.3-65.5-165.70112.6E81 R82 F106 S107 K117 F119 I134 N185E81-K183 WeakPolarHBondContact OE2-CD 3.31Å; E81-K183 WeakPolarHBondContact OE2-CE 3.28Å; E81-K183 IonicContact OE2-NZ 2.65Å; E81-K183 PolarHBondContact OE2-NZ 3.41Å; R82-K183 CarbonylContact O-C 3.58Å; R82-K183 WeakPolarHBondContact O-CA 3.43Å; R82-K183 WeakPolarHBondContact O-CB 3.34Å; F106-K183 VanDerWaalsContact CE1-O 3.28Å; F106-K183 WeakPolarHBondContact CE1-O 3.31Å; S107-K183 PolarHBondContact O-NZ 3.25Å; K117-K183 HydrophobicContact CD-CD 4.16Å; K117-K183 HydrophobicContact CD-CG 3.91Å; F119-K183 HydrophobicContact CE1-CG 4.22Å; F119-K183 HydrophobicContact CZ-CG 4.33Å; F119-K183 VanDerWaalsContact CZ-O 3.29Å; F119-K183 WeakPolarHBondContact CZ-O 3.26Å; I134-K183 HydrophobicContact CD1-CD 4.24Å; I134-K183 HydrophobicContact CD1-CG 4.24Å; K183-N185 WeakPolarHBondContact CE-OD1 3.36Å; K183-N185 PolarHBondContact NZ-ND2 3.42Å; K183-N185 PolarHBondContact NZ-OD1 2.83Å
184V98.9Very high97.7Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-153.7147.2165.7610000109.7A33 E81 R82 F88 Y90 F106 F174 A186 L187A33-V184 HydrophobicContact CB-CG1 3.72Å; A33-V184 WeakPolarHBondContact CB-O 3.18Å; E81-V184 WeakPolarHBondContact CA-O 3.34Å; R82-V184 PolarHBondContact N-O 2.94Å; R82-V184 PolarHBondContact O-N 3.03Å; F88-V184 HydrophobicContact CE2-CG1 4.16Å; F88-V184 HydrophobicContact CZ-CG1 4.16Å; Y90-V184 HydrophobicContact CE2-CG1 3.86Å; F106-V184 HydrophobicContact CD1-CB 4.47Å; F106-V184 HydrophobicContact CD1-CG2 4.41Å; F106-V184 HydrophobicContact CE1-CB 3.97Å; F106-V184 HydrophobicContact CE1-CG2 3.96Å; F106-V184 HydrophobicContact CZ-CG2 4.46Å; F174-V184 HydrophobicContact CD1-CB 4.32Å; F174-V184 HydrophobicContact CD2-CG1 4.49Å; F174-V184 HydrophobicContact CE1-CB 3.6Å; F174-V184 HydrophobicContact CE1-CG1 4.13Å; F174-V184 HydrophobicContact CE1-CG2 3.95Å; F174-V184 HydrophobicContact CE2-CB 4.24Å; F174-V184 HydrophobicContact CE2-CG1 3.85Å; F174-V184 HydrophobicContact CZ-CB 3.55Å; F174-V184 HydrophobicContact CZ-CG1 3.64Å; F174-V184 HydrophobicContact CZ-CG2 3.75Å; V184-A186 WeakPolarHBondContact CG2-O 3.27Å; V184-L187 HydrophobicContact CG2-CD2 4.41Å
185N98.8Very high97.4Very high1 Ų137.7 Ų37.71%0.00519%0.19CC..SBendtrans-92-47.2176.8-6382.6000111.8A33 L77 Y78 T80 K105 F106 S107 K183A33-N185 WeakPolarHBondContact CA-O 3.44Å; A33-N185 VanDerWaalsContact CB-O 3.31Å; A33-N185 WeakPolarHBondContact CB-O 3.44Å; A33-N185 PolarHBondContact N-O 2.88Å; L77-N185 WeakPolarHBondContact O-CB 3.43Å; Y78-N185 PolarHBondContact O-ND2 3.26Å; T80-N185 VanDerWaalsContact O-CA 3.3Å; T80-N185 WeakPolarHBondContact O-CA 3.5Å; T80-N185 VanDerWaalsContact O-CB 3.26Å; T80-N185 WeakPolarHBondContact O-CB 3.28Å; T80-N185 PolarHBondContact O-ND2 3.41Å; K105-N185 WeakPolarHBondContact O-CB 3.38Å; K105-N185 PolarHBondContact O-N 3Å; F106-N185 VanDerWaalsContact C-OD1 3.3Å; F106-N185 WeakPolarHBondContact CA-OD1 3.26Å; S107-N185 PolarHBondContact N-OD1 2.87Å; S107-N185 PolarHBondContact OG-ND2 2.89Å; S107-N185 VanDerWaalsContact OG-ND2 3.11Å; S107-N185 PolarHBondContact OG-OD1 2.92Å; K183-N185 WeakPolarHBondContact CE-OD1 3.36Å; K183-N185 PolarHBondContact NZ-ND2 3.42Å; K183-N185 PolarHBondContact NZ-OD1 2.83Å
186A98.8Very high97Very high0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-158164.4174.100000110I31 Y46 L77 K105 V184I31-A186 VanDerWaalsContact O-CA 3.28Å; I31-A186 WeakPolarHBondContact O-CA 3.38Å; I31-A186 WeakPolarHBondContact O-CB 3.21Å; Y46-A186 HydrophobicContact CD1-CB 4.22Å; Y46-A186 HydrophobicContact CE1-CB 4.12Å; L77-A186 HydrophobicContact CB-CB 4.48Å; L77-A186 HydrophobicContact CD2-CB 3.97Å; K105-A186 HydrophobicContact CB-CB 4.22Å; K105-A186 WeakPolarHBondContact CB-O 3.29Å; K105-A186 HydrophobicContact CD-CB 4Å; K105-A186 PolarHBondContact N-O 2.98Å; K105-A186 PolarHBondContact O-N 3.4Å; V184-A186 WeakPolarHBondContact CG2-O 3.27Å
187L98.8Very high96.8Very high0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-152.2155.8174.164.3102.2000111.2A30 I31 Y90 I92 L102 V103 L104 F174 V184A30-L187 CarbonylContact C-O 3.53Å; A30-L187 WeakPolarHBondContact CA-O 3.24Å; I31-L187 HydrophobicContact CB-CG 4.24Å; I31-L187 HydrophobicContact CD1-CD1 4.17Å; I31-L187 HydrophobicContact CG1-CD1 4.44Å; I31-L187 PolarHBondContact N-O 3.49Å; I31-L187 PolarHBondContact O-N 2.83Å; Y90-L187 HydrophobicContact CD2-CD2 3.41Å; Y90-L187 VanDerWaalsContact CD2-CD2 3.41Å; Y90-L187 HydrophobicContact CE2-CD2 3.66Å; Y90-L187 HydrophobicContact CG-CD2 4.1Å; I92-L187 HydrophobicContact CD1-CD1 3.61Å; L102-L187 HydrophobicContact CD1-CD1 4.29Å; V103-L187 CarbonylContact O-C 3.55Å; V103-L187 WeakPolarHBondContact O-CA 3.27Å; V103-L187 WeakPolarHBondContact O-CB 3.46Å; L104-L187 HydrophobicContact CD2-CB 3.73Å; L104-L187 HydrophobicContact CD2-CD2 4.49Å; F174-L187 HydrophobicContact CE2-CD2 4.5Å; F174-L187 HydrophobicContact CZ-CD2 4.3Å; V184-L187 HydrophobicContact CG2-CD2 4.41Å
188Y98.2Very high96.5Very high7 Ų736.5 Ų36.53%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-151.8157.6170.467.1-83.1000111.6I24 I27 D29 I44 Y46 V103 V190 V197I24-Y188 HydrophobicContact CD1-CE2 4Å; I27-Y188 HydrophobicContact CD1-CD2 4.05Å; I27-Y188 HydrophobicContact CD1-CE2 4.34Å; D29-Y188 CarbonylContact O-C 3.59Å; D29-Y188 WeakPolarHBondContact O-CA 3.32Å; D29-Y188 WeakPolarHBondContact O-CB 3.23Å; I44-Y188 HydrophobicContact CD1-CD2 4.31Å; I44-Y188 HydrophobicContact CD1-CE1 4.26Å; I44-Y188 HydrophobicContact CD1-CE2 3.99Å; Y46-Y188 AromaticContact CE1-CD1 3.88Å; Y46-Y188 HydrophobicContact CE1-CD1 3.88Å; Y46-Y188 HydrophobicContact CE1-CG 4.39Å; Y46-Y188 AromaticContact CZ-CD1 3.8Å; Y46-Y188 WeakPolarHBondContact OH-CD1 3.09Å; Y46-Y188 WeakPolarHBondContact OH-CE1 3.33Å; V103-Y188 HydrophobicContact CB-CD1 3.8Å; V103-Y188 HydrophobicContact CB-CD2 4.46Å; V103-Y188 HydrophobicContact CB-CE1 3.38Å; V103-Y188 HydrophobicContact CB-CE2 4.08Å; V103-Y188 HydrophobicContact CB-CG 4.35Å; V103-Y188 HydrophobicContact CG1-CD1 4.26Å; V103-Y188 HydrophobicContact CG1-CE1 3.52Å; V103-Y188 HydrophobicContact CG2-CD2 4.39Å; V103-Y188 HydrophobicContact CG2-CE1 3.88Å; V103-Y188 HydrophobicContact CG2-CE2 3.72Å; V103-Y188 VanDerWaalsContact CG2-CZ 3.45Å; V103-Y188 PolarHBondContact N-O 3.27Å; V103-Y188 PolarHBondContact O-N 2.95Å; Y188-V190 HydrophobicContact CD2-CB 4.24Å; Y188-V190 HydrophobicContact CD2-CG1 4.42Å; Y188-V190 HydrophobicContact CE2-CB 4.16Å; Y188-V190 HydrophobicContact CE2-CG1 4Å; Y188-V197 WeakPolarHBondContact OH-CG1 3.4Å
189V98.3Very high96.4Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-115.6127.5172.2176.70000108I28 D29 I92 I94 Y100 V101 L102 F150 L170I28-V189 HydrophobicContact CB-CB 4.23Å; I28-V189 HydrophobicContact CB-CG1 4.07Å; I28-V189 HydrophobicContact CG1-CG1 4.16Å; I28-V189 PolarHBondContact N-O 2.93Å; D29-V189 PolarHBondContact O-N 3.21Å; I92-V189 HydrophobicContact CD1-CG2 3.64Å; I92-V189 HydrophobicContact CG2-CG2 4.27Å; I94-V189 HydrophobicContact CD1-CG1 4.02Å; Y100-V189 HydrophobicContact CD1-CG1 4.1Å; Y100-V189 HydrophobicContact CG-CG1 4.47Å; V101-V189 WeakPolarHBondContact O-CA 3.12Å; L102-V189 HydrophobicContact CB-CG2 4.35Å; L102-V189 HydrophobicContact CD1-CG2 3.73Å; F150-V189 HydrophobicContact CE1-CG1 4.2Å; F150-V189 HydrophobicContact CZ-CG1 3.91Å; L170-V189 HydrophobicContact CD2-CG2 4.2Å
190V97Very high96.3Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-119.7141.5176.1600000109.6I24 E26 I27 Y100 V101 Y188 V197I24-V190 WeakPolarHBondContact O-CG2 3.36Å; E26-V190 WeakPolarHBondContact O-CA 3.17Å; I27-V190 HydrophobicContact CD1-CB 3.92Å; I27-V190 HydrophobicContact CD1-CG2 3.9Å; Y100-V190 CarbonylContact C-O 3.55Å; Y100-V190 VanDerWaalsContact CA-O 3.25Å; Y100-V190 WeakPolarHBondContact CA-O 3.46Å; V101-V190 HydrophobicContact CB-CG1 4.13Å; V101-V190 PolarHBondContact N-O 3.23Å; V101-V190 PolarHBondContact O-N 3.11Å; Y188-V190 HydrophobicContact CD2-CB 4.24Å; Y188-V190 HydrophobicContact CD2-CG1 4.42Å; Y188-V190 HydrophobicContact CE2-CB 4.16Å; Y188-V190 HydrophobicContact CE2-CG1 4Å; V190-V197 HydrophobicContact CG1-CG2 3.75Å
191R96.7Very high96Very high81 Ų8133.3 Ų33.331%0.30617%0.172SC..EExtended strand (participates in β ladder)trans-77.2129.3170.9-168.7-177.8-172.2169.813109.8E26 I28 E96 Y100E26-R191 HydrophobicContact CB-CB 4.09Å; E26-R191 PolarHBondContact O-N 2.78Å; E26-R191 WeakPolarHBondContact OE2-CD 3.35Å; E26-R191 IonicContact OE2-NH1 3.87Å; E26-R191 PolarHBondContact OE2-NH1 2.78Å; E26-R191 VanDerWaalsContact OE2-NH1 3.09Å; I28-R191 HydrophobicContact CD1-CB 4.38Å; E96-R191 VanDerWaalsContact CD-NH1 3.27Å; E96-R191 IonicContact OE1-CZ 3.57Å; E96-R191 IonicContact OE1-NH1 3.55Å; E96-R191 PolarHBondContact OE1-NH1 3.26Å; E96-R191 IonicContact OE1-NH2 2.86Å; E96-R191 PolarHBondContact OE1-NH2 2.62Å; E96-R191 IonicContact OE2-CZ 3.09Å; E96-R191 IonicContact OE2-NH1 3.32Å; E96-R191 IonicContact OE2-NH2 3.19Å; E96-R191 PolarHBondContact OE2-NH2 3.42Å; Y100-R191 HydrophobicContact CD1-CB 3.97Å; Y100-R191 HydrophobicContact CD1-CG 4.2Å; Y100-R191 HydrophobicContact CE1-CB 3.83Å; Y100-R191 HydrophobicContact CE1-CG 3.82Å
192G95.3Very high95.6Very high16 Ų1637.8 Ų37.817%0.16520%0.197CC..SBendtrans135.7-158.7-178.400000112.2E99 Y100E99-G192 CarbonylContact C-O 3.5Å; E99-G192 VanDerWaalsContact C-O 3.26Å; E99-G192 PolarHBondContact O-N 2.81Å; Y100-G192 PolarHBondContact N-O 2.77Å
193T95.5Very high94.9Very high44 Ų4441.6 Ų41.627%0.2722%0.216SC..  trans-113.6172.6-174.464.90000111.2V101 Q195 D196V101-T193 VanDerWaalsContact CG2-C 3.5Å; T193-Q195 PolarHBondContact O-N 2.56Å; T193-Q195 VanDerWaalsContact O-N 3.13Å; T193-Q195 PolarHBondContact OG1-OE1 2.73Å; T193-D196 PolarHBondContact N-OD2 2.93Å; T193-D196 PolarHBondContact O-N 2.89Å; T193-D196 VanDerWaalsContact O-N 3.09Å; T193-D196 PolarHBondContact OG1-OD2 2.74Å
194L94.6Very high93.8Very high65 Ų6549.5 Ų49.534%0.3425%0.253SS..G310 helixtrans-60.7-26.2-178.4-170.167000113.1V101 Y147 D196 K199V101-L194 HydrophobicContact CG1-CD1 4.31Å; Y147-L194 VanDerWaalsContact CB-CD1 3.46Å; Y147-L194 HydrophobicContact CD1-CD1 4.28Å; Y147-L194 HydrophobicContact CG-CD1 3.95Å; L194-D196 VanDerWaalsContact C-N 3.31Å; L194-K199 WeakPolarHBondContact O-CE 3.46Å; L194-K199 PolarHBondContact O-NZ 2.92Å
195Q93.2Very high92Very high157 Ų15752.6 Ų52.673%0.73428%0.279SS*.G310 helixtrans-71.2-26.2179.4-67.373.32300112.7T193 V197T193-Q195 PolarHBondContact O-N 2.56Å; T193-Q195 VanDerWaalsContact O-N 3.13Å; T193-Q195 PolarHBondContact OG1-OE1 2.73Å; Q195-V197 VanDerWaalsContact C-N 3.25Å; Q195-V197 PolarHBondContact O-N 3.01Å
196D89.4Confident89.8Confident83 Ų8357.9 Ų57.944%0.44431%0.307SS..G310 helixtrans-79.9-12.4-178.7-55-53.7000112.1T193 L194T193-D196 PolarHBondContact N-OD2 2.93Å; T193-D196 PolarHBondContact O-N 2.89Å; T193-D196 VanDerWaalsContact O-N 3.09Å; T193-D196 PolarHBondContact OG1-OD2 2.74Å; L194-D196 VanDerWaalsContact C-N 3.31Å
197V93.9Very high87.2Confident5 Ų562 Ų623%0.0334%0.34CS..SBendtrans-95.7120.3-173.5-176.50000111V101 V103 Y147 Y188 V190 Q195 K199V101-V197 HydrophobicContact CB-CG2 3.88Å; V101-V197 HydrophobicContact CG1-CG2 3.98Å; V101-V197 HydrophobicContact CG2-CG2 4.02Å; V103-V197 HydrophobicContact CG2-CG1 3.65Å; Y147-V197 HydrophobicContact CD1-CG1 3.83Å; Y147-V197 HydrophobicContact CE1-CG1 3.7Å; Y188-V197 WeakPolarHBondContact OH-CG1 3.4Å; V190-V197 HydrophobicContact CG1-CG2 3.75Å; Q195-V197 VanDerWaalsContact C-N 3.25Å; Q195-V197 PolarHBondContact O-N 3.01Å; V197-K199 VanDerWaalsContact O-CE 3.28Å; V197-K199 WeakPolarHBondContact O-CE 3.22Å; V197-K199 PolarHBondContact O-NZ 3.15Å
198P92.7Very high84.7Confident30 Ų3072.1 Ų72.120%0.19538%0.379CS..  trans-54.6140172.7-22.331.3000111.8I24 Y42I24-P198 HydrophobicContact CB-CG 4.37Å; I24-P198 HydrophobicContact CD1-CG 4.3Å; I24-P198 HydrophobicContact CG2-CG 3.53Å; Y42-P198 HydrophobicContact CD1-CG 4.09Å; Y42-P198 HydrophobicContact CD2-CB 4.43Å; Y42-P198 HydrophobicContact CD2-CG 4.18Å; Y42-P198 HydrophobicContact CE1-CB 4.01Å; Y42-P198 HydrophobicContact CE1-CG 3.94Å; Y42-P198 HydrophobicContact CE2-CB 3.8Å; Y42-P198 HydrophobicContact CE2-CG 4.03Å; Y42-P198 HydrophobicContact CG-CG 4.2Å
199K94.2Very high81.8Confident90 Ų9081.2 Ų81.239%0.39142%0.421SS..  trans-107.6144.3-179.6-54.9-56.2177.1-161.50110.7Y147 L194 V197Y147-K199 HydrophobicContact CD1-CD 4.36Å; Y147-K199 HydrophobicContact CE1-CD 3.71Å; Y147-K199 HydrophobicContact CE2-CD 3.98Å; L194-K199 WeakPolarHBondContact O-CE 3.46Å; L194-K199 PolarHBondContact O-NZ 2.92Å; V197-K199 VanDerWaalsContact O-CE 3.28Å; V197-K199 WeakPolarHBondContact O-CE 3.22Å; V197-K199 PolarHBondContact O-NZ 3.15Å
200L94.4Very high79.4Confident25 Ų2587.9 Ų87.913%0.13145%0.453CS..PPolyproline II helixtrans-58.1142167.2-67.7176.4000110.1R69 V70 A143 D145R69-L200 WeakPolarHBondContact O-CD2 3.4Å; V70-L200 HydrophobicContact CG2-CD2 4.35Å; A143-L200 HydrophobicContact CB-CD1 3.79Å; A143-L200 HydrophobicContact CB-CD2 4.25Å; D145-L200 HydrophobicContact CB-CD1 3.93Å; D145-L200 HydrophobicContact CB-CG 4.39Å
201P92.1Very high76.6Confident66 Ų6693.6 Ų93.643%0.42949%0.49SS..PPolyproline II helixtrans-51.1155.2169.3-24.233.5000112.3R69R69-P201 PolarHBondContact NE-O 3.18Å; R69-P201 PolarHBondContact NH2-O 2.87Å; R69-P201 WeakPolarHBondContact O-CD 3.35Å
202D88.4Confident74Confident124 Ų12498.8 Ų98.866%0.66352%0.517SS*.PPolyproline II helixtrans-64.5145.1177.9-69.8-33.2000112H204 A205D202-H204 PolarHBondContact O-N 2.82Å; D202-A205 HydrophobicContact CB-CB 4.45Å; D202-A205 WeakPolarHBondContact O-CB 3.08Å; D202-A205 PolarHBondContact O-N 2.81Å; D202-A205 VanDerWaalsContact O-N 3.09Å
203I84.7Confident71.3Confident79 Ų79104.1 Ų104.141%0.40555%0.546SS..THydrogen-bonded Turntrans-58.8-32.6-179.4-60.6167.6000111.6V138V138-I203 HydrophobicContact CG1-CD1 3.84Å; V138-I203 HydrophobicContact CG1-CG1 4.49Å
204H76.1Confident68.4Low166 Ų166105.7 Ų105.777%0.76955%0.553SS**THydrogen-bonded Turntrans-89.2-3.1-178.3-59-57.2000114.4D202 D206D202-H204 PolarHBondContact O-N 2.82Å; H204-D206 PolarHBondContact O-N 3.28Å
205A60.8Low66Low66 Ų66108.7 Ų108.755%0.54557%0.569SS.*THydrogen-bonded Turntrans-63.4-32.7179.700000111.8D202D202-A205 HydrophobicContact CB-CB 4.45Å; D202-A205 WeakPolarHBondContact O-CB 3.08Å; D202-A205 PolarHBondContact O-N 2.81Å; D202-A205 VanDerWaalsContact O-N 3.09Å
206D51.9Low63.4Low111 Ų111108.6 Ų108.659%0.59457%0.569SS**THydrogen-bonded Turntrans-119.935.1-171.5-63.2-42000113.7H204 R208H204-D206 PolarHBondContact O-N 3.28Å; D206-R208 PolarHBondContact O-N 2.81Å
207A45.4Very low61.1Low86 Ų86114 Ų11471%0.71158%0.583SS**  trans-68.441.4173.100000113.8
208R45Very low58.3Low214 Ų214122.1 Ų122.181%0.80862%0.62SS**SBendtrans-85.3107.5157.8-63.3-176.3-175.1-175.83.7105.8D206 E210D206-R208 PolarHBondContact O-N 2.81Å; R208-E210 PolarHBondContact O-N 3.23Å
209E38Very low55.9Low197 Ų197126.7 Ų126.792%0.92165%0.647SS**  trans-44101.3178.2-62.8175.1170.100111.3
210E47.3Very low53Low141 Ų141126.5 Ų126.566%0.65965%0.654SS**  trans-79.4133.9167.5-70.7-147.3153.600109.2R208 Q212R208-E210 PolarHBondContact O-N 3.23Å; E210-Q212 PolarHBondContact O-N 2.96Å
211P39.7Very low50Low119 Ų119129.2 Ų129.277%0.77369%0.688SS**  trans-68.5123.1-174.7-11.225.6000110.1V213P211-V213 PolarHBondContact O-N 3.03Å
212Q42.3Very low47.3Very low190 Ų190134.4 Ų134.489%0.88871%0.706SS**  trans-60.6111.4165.6-63.1-154.9-36.500108.5E210 D214E210-Q212 PolarHBondContact O-N 2.96Å; Q212-D214 PolarHBondContact O-N 3.18Å
213V38.1Very low44.6Very low128 Ų128136.9 Ų136.978%0.77672%0.718SS**  trans-69.192164.6178.90000106.4P211 L215P211-V213 PolarHBondContact O-N 3.03Å; V213-L215 PolarHBondContact O-N 3.3Å
214D34.9Very low42.2Very low77 Ų77142.1 Ų142.141%0.41274%0.741SS.*  trans-7195.5175.4-173.97000109.1Q212 Q216 R217Q212-D214 PolarHBondContact O-N 3.18Å; D214-Q216 PolarHBondContact O-N 2.8Å; D214-Q216 VanDerWaalsContact O-N 3.08Å; D214-Q216 PolarHBondContact OD1-N 3.29Å; D214-R217 HydrophobicContact CB-CB 4.32Å; D214-R217 PolarHBondContact O-N 2.73Å
215L43.6Very low40.2Very low129 Ų129139.9 Ų139.968%0.67574%0.744SS**THydrogen-bonded Turntrans-61.9-9.9177.7-74166.2000113.1V213V213-L215 PolarHBondContact O-N 3.3Å
216Q39.3Very low38.8Very low155 Ų155144 Ų14472%0.72476%0.757SS**THydrogen-bonded Turntrans-82.4-20.1171.7-80.3170.7-10.900113D214 E218 V219D214-Q216 PolarHBondContact O-N 2.8Å; D214-Q216 VanDerWaalsContact O-N 3.08Å; D214-Q216 PolarHBondContact OD1-N 3.29Å; Q216-E218 VanDerWaalsContact C-N 3.34Å; Q216-E218 PolarHBondContact O-N 2.93Å; Q216-V219 PolarHBondContact O-N 2.8Å
217R40Very low38.1Very low195 Ų195143.3 Ų143.374%0.73676%0.761SS**THydrogen-bonded Turntrans-81.2-11.4-175.2-135.8-179.2-176.9106.41114.5D214 V219D214-R217 HydrophobicContact CB-CB 4.32Å; D214-R217 PolarHBondContact O-N 2.73Å; R217-V219 VanDerWaalsContact C-N 3.28Å
218E34.7Very low37.6Very low177 Ų177147.5 Ų147.583%0.82777%0.77SS**THydrogen-bonded Turntrans-79.4-12.1173.8-136.2174.8-165.400112.7Q216Q216-E218 VanDerWaalsContact C-N 3.34Å; Q216-E218 PolarHBondContact O-N 2.93Å
219V42.7Very low37.3Very low125 Ų125146.2 Ų146.276%0.75877%0.771SS**THydrogen-bonded Turntrans-96.2-32-176.9-178.20000113.1Q216 R217Q216-V219 PolarHBondContact O-N 2.8Å; R217-V219 VanDerWaalsContact C-N 3.28Å
220T34Very low37.5Very low87 Ų87148 Ų14853%0.53477%0.769SS.*  trans-110.688.1-177.252.70000110.6E222T220-E222 PolarHBondContact O-N 3.04Å
221G31.7Very low37.3Very low81 Ų81146.1 Ų146.184%0.83578%0.778SS**  trans-68.167.417300000113
222E34.5Very low38Very low176 Ų176145.1 Ų145.182%0.82277%0.774SS**  trans-102.8107.7173.4-73.7-178.9173.900110.2T220T220-E222 PolarHBondContact O-N 3.04Å
223L31.5Very low38.5Very low175 Ų175138.7 Ų138.792%0.91676%0.758SS**  trans-80.4111170-70.6159.3000108.1
224E35.3Very low39.4Very low190 Ų190138.9 Ų138.989%0.88876%0.762SS**  trans-120.3122.1156.4-79.8-162.1156.600111
225S32.7Very low40.5Very low118 Ų118145.2 Ų145.283%0.82579%0.786SS**  trans-73.2120.1165.256.70000109.6
226D33.3Very low40.9Very low154 Ų154147.8 Ų147.882%0.82479%0.794SS**  -164.8143.6123.5-139.3-13.9000113.2
227S36.5Very low41.8Very low96 Ų96143.5 Ų143.567%0.67179%0.785SS**  trans74.190.3159.777.50000119.9K229S227-K229 PolarHBondContact O-N 2.78Å; S227-K229 VanDerWaalsContact O-N 3.1Å
228L35.2Very low42.7Very low173 Ų173138.3 Ų138.391%0.90677%0.772SS**  trans-39.7100.7143.2-70.1149.9000113.1
229K38.8Very low43.7Very low188 Ų188134.4 Ų134.482%0.81776%0.762SS**  trans-148.156.3158.6-80.9-166-178.4170.40112.7S227S227-K229 PolarHBondContact O-N 2.78Å; S227-K229 VanDerWaalsContact O-N 3.1Å
230W41.4Very low44.6Very low235 Ų235135.8 Ų135.889%0.8976%0.755SS**  trans178.8101.4137-132.3-93.6000105.4S232W230-S232 PolarHBondContact O-N 2.7Å
231A43.6Very low45.8Very low101 Ų101137.2 Ų137.284%0.83576%0.758SS**  trans-71.280.516900000107.5G233A231-G233 PolarHBondContact O-N 3.4Å
232S53.3Low46.9Very low98 Ų98141.6 Ų141.669%0.68575%0.75SS**PPolyproline II helixtrans-59.2124.5161.5-44.10000105.9W230W230-S232 PolarHBondContact O-N 2.7Å
233G54.3Low47.8Very low54 Ų54138.9 Ų138.956%0.55774%0.738SS**PPolyproline II helixtrans-51.5170167.400000111A231 K235A231-G233 PolarHBondContact O-N 3.4Å; G233-K235 PolarHBondContact O-N 2.65Å; G233-K235 VanDerWaalsContact O-N 3.17Å
234P55.4Low48.9Very low132 Ų132135.5 Ų135.586%0.85772%0.721SS**SBendtrans-47.8130.7-177.918.7-29.8000109.9Q236P234-Q236 PolarHBondContact O-N 3.3Å
235K58Low50.2Low210 Ų210133.3 Ų133.391%0.91371%0.71SS**  trans-43112-177.7-72.9-179.6175.7-179.10108.6G233 A237G233-K235 PolarHBondContact O-N 2.65Å; G233-K235 VanDerWaalsContact O-N 3.17Å; K235-A237 PolarHBondContact O-N 2.81Å
236Q53.5Low51.8Low184 Ų184130.3 Ų130.386%0.8669%0.693SS**  trans-63.5113.6174.2-170.1162-5.300106P234 N238P234-Q236 PolarHBondContact O-N 3.3Å; Q236-N238 PolarHBondContact O-N 2.87Å
237A56.7Low53.5Low64 Ų64128.8 Ų128.853%0.52968%0.68SS.*  trans-53.6133.4175.400000107.8K235 P239K235-A237 PolarHBondContact O-N 2.81Å; A237-P239 WeakPolarHBondContact O-CD 2.95Å; A237-P239 VanDerWaalsContact O-N 3.07Å
238N59.7Low55.3Low87 Ų87130.7 Ų130.747%0.46568%0.679SS.*  trans-54.4119.5177.6174.2-1.5000107.6Q236 Y240 I241Q236-N238 PolarHBondContact O-N 2.87Å; N238-Y240 PolarHBondContact O-N 3.41Å; N238-Y240 WeakPolarHBondContact OD1-CD2 3.4Å; N238-Y240 PolarHBondContact OD1-N 2.75Å; N238-I241 HydrophobicContact CB-CD1 3.74Å; N238-I241 HydrophobicContact CB-CG1 3.88Å; N238-I241 PolarHBondContact O-N 3.22Å
239P55.8Low57.5Low95 Ų95126.4 Ų126.462%0.61766%0.656SS**THydrogen-bonded Turntrans-62.5-10.3-171.523.2-32.9000113.6A237A237-P239 WeakPolarHBondContact O-CD 2.95Å; A237-P239 VanDerWaalsContact O-N 3.07Å
240Y61.7Low59.6Low154 Ų154122.5 Ų122.560%0.60464%0.643SS**THydrogen-bonded Turntrans-97-4.4178.2-54.4-72.3000114.6N238 Y242 Q243N238-Y240 PolarHBondContact O-N 3.41Å; N238-Y240 WeakPolarHBondContact OD1-CD2 3.4Å; N238-Y240 PolarHBondContact OD1-N 2.75Å; Y240-Y242 PolarHBondContact O-N 3.09Å; Y240-Q243 PolarHBondContact O-N 3.44Å
241I58.2Low61.5Low116 Ų116115 Ų11560%0.59563%0.625SS**THydrogen-bonded Turntrans-64-26174-65.9170.2000110.8N238N238-I241 HydrophobicContact CB-CD1 3.74Å; N238-I241 HydrophobicContact CB-CG1 3.88Å; N238-I241 PolarHBondContact O-N 3.22Å
242Y55.4Low63.5Low174 Ų174117.5 Ų117.568%0.68262%0.618SS**THydrogen-bonded Turntrans-111.136176.2-58.2-81000112.4Y240 D244Y240-Y242 PolarHBondContact O-N 3.09Å; Y242-D244 PolarHBondContact O-N 2.64Å
243Q53.2Low65.1Low118 Ų118117.7 Ų117.755%0.55161%0.61SS**  trans-67.572.6145.9-86.6178.8-46.600106.8Y240Y240-Q243 PolarHBondContact O-N 3.44Å
244D55.3Low66.6Low105 Ų105119 Ų11956%0.56161%0.607SS**  trans-53.7140.5179.3-146.7-5.3000105.7Y242 A246 E247Y242-D244 PolarHBondContact O-N 2.64Å; D244-A246 HydrophobicContact CB-CB 4.19Å; D244-A246 CarbonylContact O-C 3.57Å; D244-A246 PolarHBondContact O-N 2.79Å; D244-E247 PolarHBondContact O-N 2.93Å
245Q63Low68.1Low143 Ų143115.6 Ų115.667%0.66859%0.59SS**Hα-helixtrans-50.4-22.9178.2-65.4-176.3-40.500111.4E247 Q248 I249Q245-E247 PolarHBondContact O-N 3.21Å; Q245-Q248 PolarHBondContact O-N 2.93Å; Q245-I249 HydrophobicContact CB-CD1 4.17Å; Q245-I249 WeakPolarHBondContact O-CB 3.25Å; Q245-I249 WeakPolarHBondContact O-CD1 3.32Å; Q245-I249 WeakPolarHBondContact O-CG1 3.44Å; Q245-I249 PolarHBondContact O-N 2.9Å
246A64.9Low69.4Low55 Ų55110 Ų11046%0.45557%0.57SS.*Hα-helixtrans-51.9-40.516800000115.3D244 I249 L250D244-A246 HydrophobicContact CB-CB 4.19Å; D244-A246 CarbonylContact O-C 3.57Å; D244-A246 PolarHBondContact O-N 2.79Å; A246-I249 PolarHBondContact O-N 2.74Å; A246-L250 VanDerWaalsContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CB 3.46Å; A246-L250 PolarHBondContact O-N 3.07Å
247E70.2Confident70.8Confident122 Ų122104.3 Ų104.357%0.5755%0.554SS**Hα-helixtrans-71.2-34.6177.7-71.7-155.8163.500112.3D244 Q245 P251D244-E247 PolarHBondContact O-N 2.93Å; Q245-E247 PolarHBondContact O-N 3.21Å; E247-P251 WeakPolarHBondContact O-CD 3.36Å
248Q73.7Confident72.1Confident136 Ų136104.7 Ų104.764%0.63655%0.552SS**Hα-helixtrans-69-36.2170.5-71.4-177.2-20.600111.3Q245 P251 F252Q245-Q248 PolarHBondContact O-N 2.93Å; Q248-P251 WeakPolarHBondContact O-CD 3.43Å; Q248-P251 WeakPolarHBondContact O-CG 3.31Å; Q248-F252 WeakPolarHBondContact O-CD2 3.35Å; Q248-F252 WeakPolarHBondContact O-CE2 3.33Å
249I80.8Confident73.4Confident83 Ų83105.9 Ų105.943%0.42655%0.553SS.*Hα-helixtrans-77.9-32.6-178.3-69164.2000112.5Q245 A246 F252 L253Q245-I249 HydrophobicContact CB-CD1 4.17Å; Q245-I249 WeakPolarHBondContact O-CB 3.25Å; Q245-I249 WeakPolarHBondContact O-CD1 3.32Å; Q245-I249 WeakPolarHBondContact O-CG1 3.44Å; Q245-I249 PolarHBondContact O-N 2.9Å; A246-I249 PolarHBondContact O-N 2.74Å; I249-F252 CarbonylContact O-C 3.52Å; I249-F252 WeakPolarHBondContact O-CA 3.39Å; I249-F252 WeakPolarHBondContact O-CB 3.4Å; I249-F252 PolarHBondContact O-N 3.09Å; I249-L253 HydrophobicContact CG2-CD1 3.67Å; I249-L253 HydrophobicContact CG2-CG 3.68Å; I249-L253 PolarHBondContact O-N 3.04Å
250L82.6Confident74.7Confident106 Ų106107.5 Ų107.556%0.55555%0.551SS**Hα-helixtrans-52.8-48.6-177.2-17465.4000113.8A246 F252 L253 V254A246-L250 VanDerWaalsContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CB 3.46Å; A246-L250 PolarHBondContact O-N 3.07Å; L250-F252 VanDerWaalsContact C-N 3.3Å; L250-F252 PolarHBondContact O-N 2.71Å; L250-L253 PolarHBondContact O-N 3.34Å; L250-V254 HydrophobicContact CD1-CG2 4.41Å; L250-V254 VanDerWaalsContact O-CG2 3.31Å; L250-V254 WeakPolarHBondContact O-CG2 3.32Å; L250-V254 PolarHBondContact O-N 3.24Å
251P82.5Confident75.5Confident79 Ų79103.7 Ų103.751%0.51355%0.545SS..Hα-helixtrans-62.7-35175.823.2-32.9000112.6E247 Q248 A255E247-P251 WeakPolarHBondContact O-CD 3.36Å; Q248-P251 WeakPolarHBondContact O-CD 3.43Å; Q248-P251 WeakPolarHBondContact O-CG 3.31Å; P251-A255 VanDerWaalsContact O-CB 3.25Å; P251-A255 WeakPolarHBondContact O-CB 3.5Å; P251-A255 PolarHBondContact O-N 2.89Å
252F86.2Confident76.6Confident153 Ų153102.1 Ų102.167%0.67154%0.541SS*.Hα-helixtrans-68.9-39.1174.8-65.3-76.5000112.3Q248 I249 L250 A255 L256Q248-F252 WeakPolarHBondContact O-CD2 3.35Å; Q248-F252 WeakPolarHBondContact O-CE2 3.33Å; I249-F252 CarbonylContact O-C 3.52Å; I249-F252 WeakPolarHBondContact O-CA 3.39Å; I249-F252 WeakPolarHBondContact O-CB 3.4Å; I249-F252 PolarHBondContact O-N 3.09Å; L250-F252 VanDerWaalsContact C-N 3.3Å; L250-F252 PolarHBondContact O-N 2.71Å; F252-A255 PolarHBondContact O-N 3.05Å; F252-L256 VanDerWaalsContact O-CB 3.24Å; F252-L256 WeakPolarHBondContact O-CB 3.17Å; F252-L256 PolarHBondContact O-N 2.98Å
253L85.5Confident77.8Confident101 Ų10197.2 Ų97.253%0.52953%0.526SS..Hα-helixtrans-66.5-41.4175-73.9177.1000111.8I249 L250 L256 A257I249-L253 HydrophobicContact CG2-CD1 3.67Å; I249-L253 HydrophobicContact CG2-CG 3.68Å; I249-L253 PolarHBondContact O-N 3.04Å; L250-L253 PolarHBondContact O-N 3.34Å; L253-L256 PolarHBondContact O-N 3.08Å; L253-A257 VanDerWaalsContact O-CB 3.23Å; L253-A257 WeakPolarHBondContact O-CB 3.29Å; L253-A257 PolarHBondContact O-N 3.03Å
254V86.6Confident79Confident81 Ų8198.3 Ų98.349%0.49153%0.526SS..Hα-helixtrans-63.4-45.9174.2173.10000110.1L250 L256 A257 C258L250-V254 HydrophobicContact CD1-CG2 4.41Å; L250-V254 VanDerWaalsContact O-CG2 3.31Å; L250-V254 WeakPolarHBondContact O-CG2 3.32Å; L250-V254 PolarHBondContact O-N 3.24Å; V254-L256 PolarHBondContact O-N 3.11Å; V254-A257 PolarHBondContact O-N 2.92Å; V254-C258 WeakPolarHBondContact O-CB 3.37Å; V254-C258 PolarHBondContact O-N 3.37Å; V254-C258 PolarHBondContact O-SG 3.25Å
255A86.7Confident80.2Confident61 Ų6197.4 Ų97.450%0.50453%0.527SS..Hα-helixtrans-60.8-44.3176.400000112.1P251 F252 C258 F259P251-A255 VanDerWaalsContact O-CB 3.25Å; P251-A255 WeakPolarHBondContact O-CB 3.5Å; P251-A255 PolarHBondContact O-N 2.89Å; F252-A255 PolarHBondContact O-N 3.05Å; A255-C258 PolarHBondContact O-N 3.32Å; A255-F259 WeakPolarHBondContact O-CB 3.34Å; A255-F259 PolarHBondContact O-N 3.1Å
256L85Confident80.8Confident94 Ų9494.8 Ų94.849%0.49252%0.517SS..Hα-helixtrans-64.3-41.8176.4-175.768.4000111.6F252 L253 V254 C258 F259 F260F252-L256 VanDerWaalsContact O-CB 3.24Å; F252-L256 WeakPolarHBondContact O-CB 3.17Å; F252-L256 PolarHBondContact O-N 2.98Å; L253-L256 PolarHBondContact O-N 3.08Å; V254-L256 PolarHBondContact O-N 3.11Å; L256-C258 VanDerWaalsContact C-N 3.34Å; L256-F259 WeakPolarHBondContact O-CB 3.23Å; L256-F259 PolarHBondContact O-N 2.79Å; L256-F260 HydrophobicContact CD1-CE2 3.98Å; L256-F260 HydrophobicContact CD1-CZ 4.31Å; L256-F260 HydrophobicContact CG-CE2 3.95Å; L256-F260 WeakPolarHBondContact O-CD2 3.29Å
257A83.4Confident81.3Confident63 Ų6396.5 Ų96.552%0.52153%0.525SS..Hα-helixtrans-65-37.3175.800000112L253 V254 P261L253-A257 VanDerWaalsContact O-CB 3.23Å; L253-A257 WeakPolarHBondContact O-CB 3.29Å; L253-A257 PolarHBondContact O-N 3.03Å; V254-A257 PolarHBondContact O-N 2.92Å; A257-P261 WeakPolarHBondContact O-CD 3.38Å
258C84.4Confident80.4Confident73 Ų7397.4 Ų97.449%0.49353%0.527SS..Hα-helixtrans-73.7-24.4174-69.80000113.1V254 A255 L256 P261 V262V254-C258 WeakPolarHBondContact O-CB 3.37Å; V254-C258 PolarHBondContact O-N 3.37Å; V254-C258 PolarHBondContact O-SG 3.25Å; A255-C258 PolarHBondContact O-N 3.32Å; L256-C258 VanDerWaalsContact C-N 3.34Å; C258-P261 WeakPolarHBondContact O-CD 3.43Å; C258-V262 VanDerWaalsContact O-CG2 3.24Å; C258-V262 WeakPolarHBondContact O-CG2 3.47Å; C258-V262 PolarHBondContact O-N 3.45Å
259F85.9Confident79.2Confident111 Ų111101.6 Ų101.649%0.48755%0.553SS.*Hα-helixtrans-65.6-43.7-179.6-176.4-102.1000112.4A255 L256 V262 L263A255-F259 WeakPolarHBondContact O-CB 3.34Å; A255-F259 PolarHBondContact O-N 3.1Å; L256-F259 WeakPolarHBondContact O-CB 3.23Å; L256-F259 PolarHBondContact O-N 2.79Å; F259-V262 PolarHBondContact O-N 2.66Å; F259-L263 HydrophobicContact CE1-CD2 3.9Å; F259-L263 HydrophobicContact CZ-CD1 4.48Å; F259-L263 HydrophobicContact CZ-CD2 4.4Å; F259-L263 VanDerWaalsContact O-CB 3.23Å; F259-L263 WeakPolarHBondContact O-CB 3.22Å; F259-L263 PolarHBondContact O-N 3.06Å
260F82.8Confident79.2Confident129 Ų129102.6 Ų102.657%0.56656%0.559SS**Hα-helixtrans-64.9-44-177.1-65.2-74.5000114.4L256 L263 Y264L256-F260 HydrophobicContact CD1-CE2 3.98Å; L256-F260 HydrophobicContact CD1-CZ 4.31Å; L256-F260 HydrophobicContact CG-CE2 3.95Å; L256-F260 WeakPolarHBondContact O-CD2 3.29Å; F260-L263 PolarHBondContact O-N 3.09Å; F260-Y264 VanDerWaalsContact O-CB 3.3Å; F260-Y264 WeakPolarHBondContact O-CB 3.42Å; F260-Y264 PolarHBondContact O-N 3.21Å
261P78.6Confident79Confident74 Ų74102.4 Ų102.448%0.48156%0.559SS.*Hα-helixtrans-63.3-42173-2231.2000112.9A257 C258 Y264 C265A257-P261 WeakPolarHBondContact O-CD 3.38Å; C258-P261 WeakPolarHBondContact O-CD 3.43Å; P261-Y264 PolarHBondContact O-N 3.18Å; P261-C265 WeakPolarHBondContact O-CB 3.34Å; P261-C265 PolarHBondContact O-N 3.31Å; P261-C265 PolarHBondContact O-SG 3.45Å
262V81.4Confident78.8Confident84 Ų84103.7 Ų103.751%0.50956%0.562SS.*Hα-helixtrans-63.7-45.7177.7173.20000110.1C258 F259 Y264 C265 L266C258-V262 VanDerWaalsContact O-CG2 3.24Å; C258-V262 WeakPolarHBondContact O-CG2 3.47Å; C258-V262 PolarHBondContact O-N 3.45Å; F259-V262 PolarHBondContact O-N 2.66Å; V262-Y264 PolarHBondContact O-N 3.33Å; V262-C265 PolarHBondContact O-N 3.42Å; V262-L266 HydrophobicContact CG1-CD1 3.78Å; V262-L266 HydrophobicContact CG1-CG 4.39Å; V262-L266 WeakPolarHBondContact O-CB 3.37Å; V262-L266 WeakPolarHBondContact O-CG 3.21Å; V262-L266 PolarHBondContact O-N 3.2Å
263L80.2Confident78.3Confident70 Ų70100.8 Ų100.837%0.36656%0.555SS.*Hα-helixtrans-61.9-42.4175.3-171.269.3000111.6F259 F260 L266 C267F259-L263 HydrophobicContact CE1-CD2 3.9Å; F259-L263 HydrophobicContact CZ-CD1 4.48Å; F259-L263 HydrophobicContact CZ-CD2 4.4Å; F259-L263 VanDerWaalsContact O-CB 3.23Å; F259-L263 WeakPolarHBondContact O-CB 3.22Å; F259-L263 PolarHBondContact O-N 3.06Å; F260-L263 PolarHBondContact O-N 3.09Å; L263-L266 PolarHBondContact O-N 3.22Å; L263-C267 VanDerWaalsContact O-CB 3.3Å; L263-C267 WeakPolarHBondContact O-CB 3.06Å; L263-C267 PolarHBondContact O-N 3.01Å; L263-C267 PolarHBondContact O-SG 3.36Å
264Y79.9Confident77.9Confident141 Ų141100.8 Ų100.855%0.55356%0.557SS**Hα-helixtrans-61.3-47.4175.3-178.4-94.1000111.9F260 P261 V262 L266 C267 K268F260-Y264 VanDerWaalsContact O-CB 3.3Å; F260-Y264 WeakPolarHBondContact O-CB 3.42Å; F260-Y264 PolarHBondContact O-N 3.21Å; P261-Y264 PolarHBondContact O-N 3.18Å; V262-Y264 PolarHBondContact O-N 3.33Å; Y264-L266 VanDerWaalsContact C-N 3.3Å; Y264-L266 PolarHBondContact O-N 3.17Å; Y264-C267 PolarHBondContact O-N 2.85Å; Y264-K268 HydrophobicContact CE1-CD 4.26Å; Y264-K268 HydrophobicContact CE2-CD 4.31Å; Y264-K268 WeakPolarHBondContact O-CB 3.3Å; Y264-K268 PolarHBondContact O-N 2.83Å; Y264-K268 PolarHBondContact OH-NZ 3.1Å
265C79.7Confident77.3Confident86 Ų86102.1 Ų102.158%0.58156%0.561SS**Hα-helixtrans-62.4-36.3176.5-72.50000112.4P261 V262P261-C265 WeakPolarHBondContact O-CB 3.34Å; P261-C265 PolarHBondContact O-N 3.31Å; P261-C265 PolarHBondContact O-SG 3.45Å; V262-C265 PolarHBondContact O-N 3.42Å
266L75.6Confident76.6Confident88 Ų88105 Ų10546%0.46157%0.565SS.*Hα-helixtrans-75.6-29.2177.3-70.5170.9000113.3Q4 V262 L263 Y264Q4-L266 PolarHBondContact NE2-O 3.42Å; V262-L266 HydrophobicContact CG1-CD1 3.78Å; V262-L266 HydrophobicContact CG1-CG 4.39Å; V262-L266 WeakPolarHBondContact O-CB 3.37Å; V262-L266 WeakPolarHBondContact O-CG 3.21Å; V262-L266 PolarHBondContact O-N 3.2Å; L263-L266 PolarHBondContact O-N 3.22Å; Y264-L266 VanDerWaalsContact C-N 3.3Å; Y264-L266 PolarHBondContact O-N 3.17Å
267C75.8Confident76Confident91 Ų91105.8 Ų105.862%0.61557%0.571SS**Hα-helixtrans-89.6-14.9178.5-680000113.6L263 Y264L263-C267 VanDerWaalsContact O-CB 3.3Å; L263-C267 WeakPolarHBondContact O-CB 3.06Å; L263-C267 PolarHBondContact O-N 3.01Å; L263-C267 PolarHBondContact O-SG 3.36Å; Y264-C267 PolarHBondContact O-N 2.85Å
268K51Low75.4Confident141 Ų141109.4 Ų109.461%0.61358%0.575SS**  trans-114.765174.6-114.6-159.1-173-176.90111.6Y264Y264-K268 HydrophobicContact CE1-CD 4.26Å; Y264-K268 HydrophobicContact CE2-CD 4.31Å; Y264-K268 WeakPolarHBondContact O-CB 3.3Å; Y264-K268 PolarHBondContact O-N 2.83Å; Y264-K268 PolarHBondContact OH-NZ 3.1Å
269L49.6Very low74.6Confident225 Ų225112.7 Ų112.7100%1.17858%0.583SS**  trans-165.90151.3-104.7147.9000109.2

Retrieved 269 of 269 residues in 1774.8 ms (Link to these results)

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