A0A3Q0KU93_SCHMA Loading...

ML domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 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
1M47.9Very low61.4Low232 Ų232151.2 Ų151.2100%1.14381%0.812SS**  0100.60-66.816864.900107.2
2I51.4Low62.4Low158 Ų158148.6 Ų148.681%0.8181%0.805SS**  trans-90.9110.8-177.1-62.9167000106.8L4I2-L4 PolarHBondContact O-N 3.19Å
3V56Low62.7Low112 Ų112152.5 Ų152.568%0.67980%0.801SS**  trans-80.5104178.4178.80000107.6W5V3-W5 PolarHBondContact O-N 3.27Å
4L58.7Low63.1Low151 Ų151152.2 Ų152.279%0.79180%0.798SS**  trans-77.4107.6175.8-73164.3000109.2I2 L6I2-L4 PolarHBondContact O-N 3.19Å; L4-L6 PolarHBondContact O-N 3.28Å
5W54.7Low63Low235 Ų235150.8 Ų150.889%0.8980%0.798SS**  trans-73.9105.7172.5-71.275.9000109.3V3 A7V3-W5 PolarHBondContact O-N 3.27Å; W5-A7 PolarHBondContact O-N 2.72Å
6L63.6Low62.7Low175 Ų175150 Ų15092%0.91679%0.788SS**  trans-70.496.7169.2-77.9153.2000108.5L4 S8L4-L6 PolarHBondContact O-N 3.28Å; L6-S8 PolarHBondContact O-N 3.48Å
7A65.6Low62.8Low91 Ų91147.2 Ų147.275%0.75278%0.783SS**  trans-67.797.7168.300000108.7W5 L9W5-A7 PolarHBondContact O-N 2.72Å; A7-L9 PolarHBondContact O-N 3.46Å
8S68.1Low62.9Low105 Ų105146.4 Ų146.473%0.73478%0.775SS**  trans-69.1100.4175.7-1770000109.5L6 V10L6-S8 PolarHBondContact O-N 3.48Å; S8-V10 PolarHBondContact O-N 2.73Å
9L65.8Low64Low156 Ų156142.6 Ų142.682%0.81776%0.759SS**  trans-65.492.7171-80.7140.4000109.3A7 L11A7-L9 PolarHBondContact O-N 3.46Å; L9-L11 PolarHBondContact O-N 3.12Å
10V73.1Confident65.5Low119 Ų119137.9 Ų137.972%0.72173%0.731SS**  trans-70.3101.1171.4-1790000107.6S8 V12S8-V10 PolarHBondContact O-N 2.73Å; V10-V12 PolarHBondContact O-N 3.02Å
11L70.5Confident66.9Low129 Ų129138.6 Ų138.668%0.67572%0.724SS**  trans-68.893.6171.6-65.7171.5000108.3L9 R13L9-L11 PolarHBondContact O-N 3.12Å; L11-R13 PolarHBondContact O-N 3.5Å
12V73.2Confident69.3Low120 Ų120131.3 Ų131.373%0.72769%0.69SS**  trans-61.8107.2169.6173.80000107.3V10 I14V10-V12 PolarHBondContact O-N 3.02Å; V12-I14 PolarHBondContact O-N 3.2Å; V12-I14 VanDerWaalsContact O-N 3.15Å
13R66.7Low71.5Confident200 Ų200125.5 Ų125.576%0.75566%0.663SS**  trans-70.8106.4168-63.3-65.2-176.8-171.4-1106.2L11 V15L11-R13 PolarHBondContact O-N 3.5Å; R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å
14I67.6Low73.4Confident148 Ų148121.7 Ų121.776%0.75965%0.646SS**  trans-65.7103.5165.7-53.3175.6000105V12 H16V12-I14 PolarHBondContact O-N 3.2Å; V12-I14 VanDerWaalsContact O-N 3.15Å; I14-H16 PolarHBondContact O-N 3.01Å
15V62.7Low75.3Confident131 Ų131115.7 Ų115.779%0.79462%0.617SS**  trans-72.690.2169179.80000105.2R13 S17R13-V15 VanDerWaalsContact C-N 3.34Å; R13-V15 PolarHBondContact O-N 2.94Å; V15-S17 PolarHBondContact O-N 3.4Å; V15-S17 VanDerWaalsContact O-N 3.08Å
16H58.2Low77.4Confident138 Ų138111.1 Ų111.164%0.63960%0.603SS**  trans-68.8104.6167.2-167.177.4000105.7I14 E18I14-H16 PolarHBondContact O-N 3.01Å; H16-E18 PolarHBondContact O-N 3.14Å
17S63.8Low79Confident102 Ų102103.3 Ų103.371%0.71356%0.562SS**  trans-65.4108.9169.8-178.10000106.4V15V15-S17 PolarHBondContact O-N 3.4Å; V15-S17 VanDerWaalsContact O-N 3.08Å
18E64.7Low80.6Confident134 Ų13499.5 Ų99.563%0.62653%0.531SS*.  trans-55138.5169.7-97.899.1-137.700108.9H16 F20H16-E18 PolarHBondContact O-N 3.14Å; E18-F20 WeakPolarHBondContact CB-O 3.49Å; E18-F20 PolarHBondContact O-N 2.74Å; E18-F20 VanDerWaalsContact O-N 3.14Å
19P84.1Confident82Confident73 Ų73100.1 Ų100.147%0.47452%0.521SS..SBendtrans-69.5-8-17924.6-29.5000113.1P142P19-P142 WeakPolarHBondContact O-CD 3.34Å
20F94.1Very high83.5Confident48 Ų4894 Ų9421%0.21149%0.489CS..  trans-151164.2178.261.3-91.4000111E18 L30 L33 V139 E140 F141E18-F20 WeakPolarHBondContact CB-O 3.49Å; E18-F20 PolarHBondContact O-N 2.74Å; E18-F20 VanDerWaalsContact O-N 3.14Å; F20-L30 HydrophobicContact CD2-CD2 3.69Å; F20-L30 HydrophobicContact CE2-CD2 3.58Å; F20-L30 HydrophobicContact CE2-CG 4.12Å; F20-L33 HydrophobicContact CB-CB 4.35Å; F20-L33 HydrophobicContact CB-CD2 3.53Å; F20-L33 HydrophobicContact CD1-CB 3.65Å; F20-L33 HydrophobicContact CD1-CD2 4.13Å; F20-L33 HydrophobicContact CD1-CG 4.49Å; F20-L33 HydrophobicContact CD2-CB 4.32Å; F20-L33 HydrophobicContact CE1-CB 3.97Å; F20-L33 HydrophobicContact CG-CB 3.85Å; F20-L33 HydrophobicContact CG-CD2 3.98Å; F20-L33 HydrophobicContact CZ-CB 4.43Å; F20-V139 HydrophobicContact CB-CG2 3.8Å; F20-V139 HydrophobicContact CD2-CG2 3.84Å; F20-V139 HydrophobicContact CG-CG2 4.14Å; F20-E140 CarbonylContact C-O 3.27Å; F20-E140 WeakPolarHBondContact CA-O 3.21Å; F20-F141 HydrophobicContact CB-CB 3.93Å
21R95.2Very high84.6Confident153 Ų15393.2 Ų93.258%0.57747%0.474SS*.EExtended strand (participates in β ladder)trans-136.3146.1176.168.4-175.7-168.8137.9-5.2111V139 E140R21-V139 CarbonylContact O-C 3.47Å; R21-V139 WeakPolarHBondContact O-CA 3.16Å; R21-E140 HydrophobicContact CG-CB 3.74Å; R21-E140 IonicContact CZ-OE2 2.78Å; R21-E140 PolarHBondContact N-O 2.92Å; R21-E140 IonicContact NE-OE2 3.87Å; R21-E140 PolarHBondContact NE-OE2 2.87Å; R21-E140 IonicContact NH2-OE1 3.37Å; R21-E140 IonicContact NH2-OE2 3.99Å; R21-E140 PolarHBondContact NH2-OE2 3.34Å; R21-E140 PolarHBondContact O-N 2.85Å
22D97.4Very high85.8Confident79 Ų7988.6 Ų88.642%0.42245%0.452SS..EExtended strand (participates in β ladder)trans-67.6135.3165.1-167.8-68.7000109.5G24 S25 C138D22-G24 PolarHBondContact OD1-N 2.84Å; D22-S25 VanDerWaalsContact CG-OG 3.29Å; D22-S25 PolarHBondContact OD1-N 2.76Å; D22-S25 PolarHBondContact OD1-OG 2.85Å; D22-S25 WeakPolarHBondContact OD2-CB 3.42Å; D22-S25 PolarHBondContact OD2-OG 3.06Å; D22-C138 WeakPolarHBondContact CA-O 3.32Å
23C97.3Very high87Confident37 Ų3784 Ų8425%0.2542%0.423CS..  trans-115.18.5-177.548.90000115C138 V139 E140C23-C138 VanDerWaalsContact C-SG 3.6Å; C23-C138 HydrophobicContact CB-CB 4.19Å; C23-C138 WeakPolarHBondContact CB-SG 2.99Å; C23-C138 PolarHBondContact N-O 2.84Å; C23-C138 VanDerWaalsContact SG-CA 3.59Å; C23-C138 WeakPolarHBondContact SG-CB 3.48Å; C23-C138 PolarHBondContact SG-O 2.92Å; C23-C138 VanDerWaalsContact SG-O 3.41Å; C23-C138 CovalentContact SG-SG 2.04Å; C23-C138 PolarHBondContact SG-SG 3.45Å; C23-V139 VanDerWaalsContact SG-C 3.51Å; C23-V139 PolarHBondContact SG-N 2.82Å; C23-E140 HydrophobicContact CB-CB 4.4Å; C23-E140 HydrophobicContact CB-CG 3.94Å
24G96.9Very high88.5Confident32 Ų3277.9 Ų77.933%0.3341%0.408SS..  trans141.424.2179.600000115.6D22 K26D22-G24 PolarHBondContact OD1-N 2.84Å; G24-K26 PolarHBondContact O-N 3.01Å
25S98.5Very high90Very high25 Ų2571.5 Ų71.518%0.17538%0.376CS..  trans-53.3127.2176.6-54.70000110.5D22 V137 C138D22-S25 VanDerWaalsContact CG-OG 3.29Å; D22-S25 PolarHBondContact OD1-N 2.76Å; D22-S25 PolarHBondContact OD1-OG 2.85Å; D22-S25 WeakPolarHBondContact OD2-CB 3.42Å; D22-S25 PolarHBondContact OD2-OG 3.06Å; S25-V137 WeakPolarHBondContact OG-CA 3.43Å; S25-C138 PolarHBondContact OG-N 2.98Å; S25-C138 PolarHBondContact OG-O 2.76Å
26K98.3Very high91.6Very high138 Ų13869 Ų6960%0.636%0.361SS*.SBendtrans-88.2-52.1-175-65.8-66.8-177.7176.10112.4G24 D135G24-K26 PolarHBondContact O-N 3.01Å; K26-D135 VanDerWaalsContact CB-O 3.29Å; K26-D135 WeakPolarHBondContact CB-O 3.23Å; K26-D135 PolarHBondContact N-O 3.21Å
27F98Very high93.5Very high12 Ų1264.2 Ų64.25%0.05334%0.343CS..SBendtrans-137.1-1-173.354-94.3000113.5Q60 E61 V63 D130 E134 I136F27-Q60 HydrophobicContact CB-CB 4.44Å; F27-Q60 VanDerWaalsContact O-CB 3.32Å; F27-Q60 WeakPolarHBondContact O-CB 3.31Å; F27-Q60 WeakPolarHBondContact O-CG 3.4Å; F27-Q60 PolarHBondContact O-N 3.4Å; F27-Q60 PolarHBondContact O-NE2 3.08Å; F27-E61 HydrophobicContact CB-CG 4.19Å; F27-E61 HydrophobicContact CD2-CB 3.91Å; F27-E61 HydrophobicContact CD2-CG 4.17Å; F27-E61 HydrophobicContact CE2-CB 4.24Å; F27-E61 HydrophobicContact CG-CB 4.44Å; F27-E61 HydrophobicContact CG-CG 4.21Å; F27-V63 HydrophobicContact CE2-CG2 3.75Å; F27-V63 HydrophobicContact CZ-CG2 4.38Å; F27-D130 HydrophobicContact CZ-CB 4.17Å; F27-E134 HydrophobicContact CE1-CB 4.12Å; F27-I136 HydrophobicContact CD2-CG2 4.12Å; F27-I136 HydrophobicContact CE2-CB 3.96Å; F27-I136 HydrophobicContact CE2-CG1 3.58Å; F27-I136 HydrophobicContact CE2-CG2 3.81Å; F27-I136 HydrophobicContact CZ-CB 4.22Å; F27-I136 HydrophobicContact CZ-CG1 3.59Å
28G98.3Very high95Very high10 Ų1062.1 Ų62.110%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-92.2154.7165.300000112.4T58 I136G28-T58 CarbonylContact C-O 3.46Å; G28-T58 WeakPolarHBondContact CA-O 3.19Å; G28-I136 WeakPolarHBondContact CA-O 3.41Å; G28-I136 PolarHBondContact N-O 3.41Å
29K97.9Very high96.5Very high119 Ų11960.7 Ų60.752%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-117.6116.3173.6-177.7178.6-179.2176.40109.4Y31 F57 T58K29-Y31 HydrophobicContact CB-CE2 4.33Å; K29-Y31 HydrophobicContact CD-CE2 4.03Å; K29-Y31 HydrophobicContact CG-CE2 4.06Å; K29-Y31 WeakPolarHBondContact O-CD2 3.38Å; K29-F57 CarbonylContact O-C 3.58Å; K29-F57 WeakPolarHBondContact O-CA 3.41Å; K29-F57 WeakPolarHBondContact O-CB 3.44Å; K29-T58 PolarHBondContact N-O 3.19Å; K29-T58 PolarHBondContact O-N 2.83Å
30L97.2Very high96.9Very high28 Ų2861.8 Ų61.815%0.14732%0.318CS..EExtended strand (participates in β ladder)trans-71.3131.8174.2-176.161.3000110.8F20 I55 V137 V139F20-L30 HydrophobicContact CD2-CD2 3.69Å; F20-L30 HydrophobicContact CE2-CD2 3.58Å; F20-L30 HydrophobicContact CE2-CG 4.12Å; L30-I55 HydrophobicContact CD1-CG2 3.47Å; L30-I55 VanDerWaalsContact CD1-CG2 3.47Å; L30-V137 HydrophobicContact CB-CG1 4.41Å; L30-V137 HydrophobicContact CD1-CG1 4.09Å; L30-V139 HydrophobicContact CD2-CB 3.91Å; L30-V139 HydrophobicContact CD2-CG2 3.67Å
31Y96Very high96.8Very high101 Ų10165.5 Ų65.540%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-108.9-44.2174.4-80-96.7000112.2K29 E56 T58K29-Y31 HydrophobicContact CB-CE2 4.33Å; K29-Y31 HydrophobicContact CD-CE2 4.03Å; K29-Y31 HydrophobicContact CG-CE2 4.06Å; K29-Y31 WeakPolarHBondContact O-CD2 3.38Å; Y31-E56 WeakPolarHBondContact CB-O 3.21Å; Y31-E56 PolarHBondContact N-O 2.83Å; Y31-T58 HydrophobicContact CD2-CG2 4.18Å; Y31-T58 HydrophobicContact CE2-CG2 3.4Å
32S96.7Very high96.7Very high33 Ų3360.1 Ų60.123%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-154.3155.2-179.5690000111.7I55 E56S32-I55 WeakPolarHBondContact O-CA 3.42Å; S32-E56 PolarHBondContact N-O 3.39Å; S32-E56 PolarHBondContact O-N 3.23Å; S32-E56 WeakPolarHBondContact OG-CB 3.5Å; S32-E56 WeakPolarHBondContact OG-CG 3.45Å; S32-E56 PolarHBondContact OG-OE2 2.76Å
33L98Very high96.7Very high22 Ų2257.1 Ų57.112%0.11532%0.315CS..EExtended strand (participates in β ladder)trans-127.7129167.5174.379000107.8F20 V35 I53 T54 I55 V139 F141F20-L33 HydrophobicContact CB-CB 4.35Å; F20-L33 HydrophobicContact CB-CD2 3.53Å; F20-L33 HydrophobicContact CD1-CB 3.65Å; F20-L33 HydrophobicContact CD1-CD2 4.13Å; F20-L33 HydrophobicContact CD1-CG 4.49Å; F20-L33 HydrophobicContact CD2-CB 4.32Å; F20-L33 HydrophobicContact CE1-CB 3.97Å; F20-L33 HydrophobicContact CG-CB 3.85Å; F20-L33 HydrophobicContact CG-CD2 3.98Å; F20-L33 HydrophobicContact CZ-CB 4.43Å; L33-V35 HydrophobicContact CD2-CG2 4.31Å; L33-V35 HydrophobicContact CG-CG2 4.38Å; L33-I53 HydrophobicContact CD1-CG2 3.69Å; L33-T54 CarbonylContact C-O 3.52Å; L33-T54 WeakPolarHBondContact CA-O 3.49Å; L33-I55 HydrophobicContact CD1-CD1 4.2Å; L33-I55 HydrophobicContact CD1-CG1 3.56Å; L33-V139 HydrophobicContact CD1-CG1 4.28Å; L33-V139 HydrophobicContact CD2-CG2 4.24Å; L33-F141 HydrophobicContact CD1-CD1 4.27Å; L33-F141 HydrophobicContact CD1-CE1 4.1Å; L33-F141 HydrophobicContact CD2-CB 3.6Å; L33-F141 HydrophobicContact CD2-CD1 3.35Å; L33-F141 HydrophobicContact CD2-CD2 4.08Å; L33-F141 HydrophobicContact CD2-CE1 3.97Å; L33-F141 HydrophobicContact CD2-CG 3.41Å; L33-F141 VanDerWaalsContact CD2-CG 3.41Å; L33-F141 HydrophobicContact CG-CD1 4.45Å
34T97.8Very high96.7Very high72 Ų7255.4 Ų55.444%0.44230%0.304SS..EExtended strand (participates in β ladder)trans-121132.1169.7-55.70000109.3T54T34-T54 PolarHBondContact N-O 2.6Å; T34-T54 PolarHBondContact O-N 2.81Å
35V98.2Very high96.8Very high14 Ų1454.2 Ų54.29%0.08529%0.29CS..EExtended strand (participates in β ladder)trans-114.5126.2171.9-177.10000107.6L33 P37 C38 C43 L45 T52 F141L33-V35 HydrophobicContact CD2-CG2 4.31Å; L33-V35 HydrophobicContact CG-CG2 4.38Å; V35-P37 CarbonylContact O-C 3.5Å; V35-C38 HydrophobicContact CB-CB 4.39Å; V35-C38 WeakPolarHBondContact O-CB 3.49Å; V35-C38 PolarHBondContact O-N 2.73Å; V35-C43 HydrophobicContact CB-CB 4.5Å; V35-C43 HydrophobicContact CG1-CB 4.24Å; V35-L45 HydrophobicContact CG1-CD2 3.6Å; V35-T52 CarbonylContact C-O 3.59Å; V35-T52 WeakPolarHBondContact CA-O 3.24Å; V35-F141 HydrophobicContact CG2-CD2 3.8Å; V35-F141 HydrophobicContact CG2-CE2 3.52Å; V35-F141 HydrophobicContact CG2-CZ 4.18Å
36T98Very high96.8Very high79 Ų7955.9 Ų55.949%0.48529%0.293SS..EExtended strand (participates in β ladder)trans-122.6123.6180-58.10000110.1A51 T52T36-A51 CarbonylContact O-C 3.48Å; T36-A51 VanDerWaalsContact O-CA 3.26Å; T36-A51 WeakPolarHBondContact O-CA 3.42Å; T36-T52 PolarHBondContact N-O 3.13Å; T36-T52 PolarHBondContact O-N 2.78Å
37P97.4Very high96.8Very high38 Ų3851.6 Ų51.625%0.24727%0.274CS..SBendcis-71.9154.4-6.331.3-34.6000112.3V35 Y46V35-P37 CarbonylContact O-C 3.5Å; P37-Y46 HydrophobicContact CG-CD2 3.94Å; P37-Y46 HydrophobicContact CG-CE2 4.25Å
38C96.2Very high96.8Very high57 Ų5752.5 Ų52.539%0.38529%0.287SS..  trans-144.178.6164.5-173.50000108.7V35 R40 C43V35-C38 HydrophobicContact CB-CB 4.39Å; V35-C38 WeakPolarHBondContact O-CB 3.49Å; V35-C38 PolarHBondContact O-N 2.73Å; C38-R40 PolarHBondContact SG-O 2.82Å; C38-R40 VanDerWaalsContact SG-O 3.42Å; C38-C43 HydrophobicContact CB-CB 3.74Å; C38-C43 WeakPolarHBondContact CB-SG 3.35Å; C38-C43 VanDerWaalsContact SG-CA 3.53Å; C38-C43 WeakPolarHBondContact SG-CB 3.45Å; C38-C43 CovalentContact SG-SG 2.04Å; C38-C43 PolarHBondContact SG-SG 2.82Å
39D94.8Very high96.8Very high104 Ų10457 Ų5756%0.55631%0.305SS*.SBendtrans-89.7-8.6-177.259.4-17.7000113.6Y46D39-Y46 VanDerWaalsContact CG-OH 3.28Å; D39-Y46 PolarHBondContact OD1-OH 3.35Å; D39-Y46 PolarHBondContact OD2-OH 3.28Å
40R93.3Very high96.8Very high96 Ų9655.7 Ų55.736%0.36230%0.304SS..SBendtrans-146.4167.6172.969-174.9-158.7-156.5-2.7111C38 P42 C43 A44C38-R40 PolarHBondContact SG-O 2.82Å; C38-R40 VanDerWaalsContact SG-O 3.42Å; R40-P42 CarbonylContact C-O 3.56Å; R40-P42 CarbonylContact O-C 3.38Å; R40-P42 VanDerWaalsContact O-C 3.27Å; R40-P42 VanDerWaalsContact O-O 3.12Å; R40-C43 WeakPolarHBondContact O-CA 3.42Å; R40-C43 PolarHBondContact O-N 2.61Å; R40-A44 HydrophobicContact CG-CB 3.89Å
41T91.2Very high96.9Very high127 Ų12754.5 Ų54.578%0.77930%0.298SS*.SBendtrans-119.6128.2177.8-52.50000110.5
42P94Very high97Very high40 Ų4051.3 Ų51.326%0.2629%0.289SS..SBendcis-58.4154.8-8.6-18.731000112.6R40 A44 P142 Q144R40-P42 CarbonylContact C-O 3.56Å; R40-P42 CarbonylContact O-C 3.38Å; R40-P42 VanDerWaalsContact O-C 3.27Å; R40-P42 VanDerWaalsContact O-O 3.12Å; P42-A44 PolarHBondContact O-N 2.83Å; P42-P142 HydrophobicContact CB-CB 3.92Å; P42-P142 HydrophobicContact CB-CG 4.12Å; P42-P142 WeakPolarHBondContact CB-O 3.48Å; P42-P142 HydrophobicContact CG-CB 4.16Å; P42-P142 HydrophobicContact CG-CG 4.39Å; P42-Q144 HydrophobicContact CB-CG 4.31Å
43C96.6Very high97.1Very high16 Ų1650 Ų5011%0.10828%0.28CS..EExtended strand (participates in β ladder)trans-56.7128-175.6-59.30000111.1V35 C38 R40 V143 Q144V35-C43 HydrophobicContact CB-CB 4.5Å; V35-C43 HydrophobicContact CG1-CB 4.24Å; C38-C43 HydrophobicContact CB-CB 3.74Å; C38-C43 WeakPolarHBondContact CB-SG 3.35Å; C38-C43 VanDerWaalsContact SG-CA 3.53Å; C38-C43 WeakPolarHBondContact SG-CB 3.45Å; C38-C43 CovalentContact SG-SG 2.04Å; C38-C43 PolarHBondContact SG-SG 2.82Å; R40-C43 WeakPolarHBondContact O-CA 3.42Å; R40-C43 PolarHBondContact O-N 2.61Å; C43-V143 HydrophobicContact CB-CG1 4.42Å; C43-V143 CarbonylContact O-C 3.44Å; C43-V143 WeakPolarHBondContact O-CA 3.24Å; C43-Q144 PolarHBondContact O-N 3.08Å
44A97.5Very high97.1Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-77.8123.317000000109.5R40 P42 Y46 Q144 I146R40-A44 HydrophobicContact CG-CB 3.89Å; P42-A44 PolarHBondContact O-N 2.83Å; A44-Y46 HydrophobicContact CB-CE1 4.13Å; A44-Y46 HydrophobicContact CB-CE2 3.96Å; A44-Q144 WeakPolarHBondContact CA-O 3.31Å; A44-I146 HydrophobicContact CB-CG2 3.99Å
45L98.4Very high97.2Very high8 Ų847 Ų474%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-106.6113.3167.9-49.7-177.6000108.2V35 A51 V113 I124 V143 Q144 L145 I146V35-L45 HydrophobicContact CG1-CD2 3.6Å; L45-A51 HydrophobicContact CB-CB 4.49Å; L45-A51 HydrophobicContact CD1-CB 4.33Å; L45-A51 HydrophobicContact CD2-CB 3.73Å; L45-A51 HydrophobicContact CG-CB 4.39Å; L45-V113 HydrophobicContact CB-CG2 4.06Å; L45-I124 HydrophobicContact CD1-CD1 4.06Å; L45-V143 HydrophobicContact CD1-CB 4.07Å; L45-V143 HydrophobicContact CD1-CG1 4.09Å; L45-V143 HydrophobicContact CD1-CG2 4.06Å; L45-V143 HydrophobicContact CG-CB 4.15Å; L45-V143 HydrophobicContact CG-CG1 4.34Å; L45-Q144 PolarHBondContact N-O 3.3Å; L45-L145 HydrophobicContact CB-CD2 3.91Å; L45-L145 HydrophobicContact CD1-CD2 4.08Å; L45-L145 HydrophobicContact CG-CD2 4.47Å; L45-L145 WeakPolarHBondContact O-CA 3.48Å; L45-I146 PolarHBondContact O-N 2.96Å
46Y98.5Very high97.2Very high59 Ų5949.6 Ų49.623%0.23127%0.273CS..  trans-82.2124.6-172.6-63.4-74.7000111.1P37 D39 A44 Q49 V113 I146P37-Y46 HydrophobicContact CG-CD2 3.94Å; P37-Y46 HydrophobicContact CG-CE2 4.25Å; D39-Y46 VanDerWaalsContact CG-OH 3.28Å; D39-Y46 PolarHBondContact OD1-OH 3.35Å; D39-Y46 PolarHBondContact OD2-OH 3.28Å; A44-Y46 HydrophobicContact CB-CE1 4.13Å; A44-Y46 HydrophobicContact CB-CE2 3.96Å; Y46-Q49 WeakPolarHBondContact O-CB 3.42Å; Y46-Q49 PolarHBondContact O-N 2.87Å; Y46-V113 WeakPolarHBondContact O-CB 3.37Å; Y46-I146 CarbonylContact C-O 3.5Å; Y46-I146 WeakPolarHBondContact CA-O 3.34Å; Y46-I146 HydrophobicContact CD1-CG2 3.56Å; Y46-I146 HydrophobicContact CE1-CG2 3.66Å; Y46-I146 HydrophobicContact CG-CG2 4.39Å
47K98.5Very high97.2Very high49 Ų4945.8 Ų45.821%0.21325%0.25CS..THydrogen-bonded Turntrans-58.1142.2171.2-70.1-179.2-153.2179.20110.9V113 Y117 S119 I146K47-V113 HydrophobicContact CG-CG1 4.11Å; K47-Y117 WeakPolarHBondContact CD-O 3.41Å; K47-Y117 WeakPolarHBondContact CE-O 3.34Å; K47-Y117 PolarHBondContact NZ-O 2.86Å; K47-S119 VanDerWaalsContact CE-OG 3.32Å; K47-S119 WeakPolarHBondContact CE-OG 3.14Å; K47-S119 VanDerWaalsContact NZ-N 3.16Å; K47-S119 PolarHBondContact NZ-OG 2.93Å; K47-I146 WeakPolarHBondContact CD-OXT 3.11Å; K47-I146 WeakPolarHBondContact CE-OXT 3.21Å; K47-I146 WeakPolarHBondContact CG-O 3.39Å; K47-I146 PolarHBondContact N-O 2.81Å
48G98.2Very high97.3Very high31 Ų3145 Ų4532%0.3225%0.245SC..THydrogen-bonded Turntrans78.66.3-175.800000114Y112 V113G48-Y112 VanDerWaalsContact C-CZ 3.48Å; G48-Y112 WeakPolarHBondContact CA-OH 3.45Å; G48-Y112 WeakPolarHBondContact O-CE2 3.42Å; G48-Y112 PolarHBondContact O-OH 3.42Å; G48-Y112 VanDerWaalsContact O-OH 3.13Å; G48-V113 PolarHBondContact N-O 3.37Å
49Q98.2Very high97.4Very high103 Ų10342.6 Ų42.648%0.48123%0.228SC..SBendtrans-128.6163.7-178.7-53.8-174.320.700111.7Y46 V113Y46-Q49 WeakPolarHBondContact O-CB 3.42Å; Y46-Q49 PolarHBondContact O-N 2.87Å; Q49-V113 PolarHBondContact O-N 2.82Å
50N98.5Very high97.6Very high92 Ų9244.4 Ų44.449%0.49223%0.233SC..EExtended strand (participates in β ladder)trans-82.6139.4171.1-75.7-18.2000110.8L111 Y112N50-L111 CarbonylContact C-O 3.49Å; N50-L111 VanDerWaalsContact CA-O 3.31Å; N50-L111 WeakPolarHBondContact CA-O 3.37Å; N50-Y112 WeakPolarHBondContact OD1-CA 3.01Å; N50-Y112 VanDerWaalsContact OD1-CB 3.31Å; N50-Y112 WeakPolarHBondContact OD1-CB 3.15Å; N50-Y112 WeakPolarHBondContact OD1-CD2 3.47Å; N50-Y112 PolarHBondContact OD1-N 2.84Å
51A98.5Very high97.8Very high4 Ų445.1 Ų45.13%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-114.2137.6162.900000109.2T36 L45 S110 L111 V113T36-A51 CarbonylContact O-C 3.48Å; T36-A51 VanDerWaalsContact O-CA 3.26Å; T36-A51 WeakPolarHBondContact O-CA 3.42Å; L45-A51 HydrophobicContact CB-CB 4.49Å; L45-A51 HydrophobicContact CD1-CB 4.33Å; L45-A51 HydrophobicContact CD2-CB 3.73Å; L45-A51 HydrophobicContact CG-CB 4.39Å; A51-S110 CarbonylContact O-C 3.58Å; A51-S110 WeakPolarHBondContact O-CA 3.44Å; A51-L111 PolarHBondContact N-O 3.31Å; A51-L111 PolarHBondContact O-N 3.37Å; A51-V113 HydrophobicContact CB-CG2 4.15Å
52T98.8Very high98.1Very high34 Ų3443.2 Ų43.221%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-116127.7179.3-59.30000110V35 T36 T108 Y109 S110V35-T52 CarbonylContact C-O 3.59Å; V35-T52 WeakPolarHBondContact CA-O 3.24Å; T36-T52 PolarHBondContact N-O 3.13Å; T36-T52 PolarHBondContact O-N 2.78Å; T52-T108 HydrophobicContact CG2-CG2 3.64Å; T52-Y109 CarbonylContact C-O 3.55Å; T52-Y109 VanDerWaalsContact CA-O 3.31Å; T52-Y109 WeakPolarHBondContact CA-O 3.34Å; T52-S110 WeakPolarHBondContact OG1-CB 3.19Å; T52-S110 PolarHBondContact OG1-OG 2.91Å
53I98.6Very high98.4Very high5 Ų541.6 Ų41.63%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-101.3129.3173.1-60.584.6000107.4L33 I55 T108 Y109 W126 F141L33-I53 HydrophobicContact CD1-CG2 3.69Å; I53-I55 HydrophobicContact CG2-CD1 4.21Å; I53-I55 HydrophobicContact CG2-CG1 4.07Å; I53-T108 WeakPolarHBondContact O-CA 3.47Å; I53-Y109 PolarHBondContact N-O 2.79Å; I53-Y109 PolarHBondContact O-N 3.05Å; I53-W126 HydrophobicContact CD1-CE3 4.4Å; I53-W126 HydrophobicContact CD1-CH2 4.26Å; I53-W126 HydrophobicContact CD1-CZ3 3.84Å; I53-W126 HydrophobicContact CG1-CE3 4.31Å; I53-W126 HydrophobicContact CG1-CZ3 4.23Å; I53-W126 HydrophobicContact CG2-CD2 4.47Å; I53-F141 HydrophobicContact CG1-CZ 4.04Å; I53-F141 HydrophobicContact CG2-CZ 4.49Å
54T98.8Very high98.4Very high31 Ų3148.7 Ų48.719%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-126.3124173.4-600000109.5L33 T34 T106 H107L33-T54 CarbonylContact C-O 3.52Å; L33-T54 WeakPolarHBondContact CA-O 3.49Å; T34-T54 PolarHBondContact N-O 2.6Å; T34-T54 PolarHBondContact O-N 2.81Å; T54-T106 HydrophobicContact CG2-CG2 3.53Å; T54-H107 CarbonylContact C-O 3.59Å; T54-H107 VanDerWaalsContact CA-O 3.25Å; T54-H107 WeakPolarHBondContact CA-O 3.45Å
55I98.8Very high98.5Very high0 Ų052.8 Ų52.80%027%0.269CS..EExtended strand (participates in β ladder)trans-120.1122.6-179.4-64169000108.5L30 S32 L33 I53 F57 T106 H107 W126 V137 V139L30-I55 HydrophobicContact CD1-CG2 3.47Å; L30-I55 VanDerWaalsContact CD1-CG2 3.47Å; S32-I55 WeakPolarHBondContact O-CA 3.42Å; L33-I55 HydrophobicContact CD1-CD1 4.2Å; L33-I55 HydrophobicContact CD1-CG1 3.56Å; I53-I55 HydrophobicContact CG2-CD1 4.21Å; I53-I55 HydrophobicContact CG2-CG1 4.07Å; I55-F57 HydrophobicContact CG2-CB 4.49Å; I55-F57 HydrophobicContact CG2-CD1 4.31Å; I55-T106 CarbonylContact O-C 3.58Å; I55-T106 WeakPolarHBondContact O-CA 3.33Å; I55-H107 HydrophobicContact CB-CB 4.24Å; I55-H107 PolarHBondContact N-O 3.2Å; I55-H107 PolarHBondContact O-N 3.37Å; I55-W126 HydrophobicContact CD1-CB 4.45Å; I55-W126 VanDerWaalsContact CD1-CD1 3.43Å; I55-W126 HydrophobicContact CD1-CG 4.02Å; I55-V137 HydrophobicContact CG2-CG1 4.38Å; I55-V139 HydrophobicContact CD1-CG1 3.64Å; I55-V139 HydrophobicContact CG1-CG1 4.36Å
56E98.7Very high98.4Very high68 Ų6852.9 Ų52.932%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-96.4131167.7-63.7-170.6150.900110.3Y31 S32 K104 Y105Y31-E56 WeakPolarHBondContact CB-O 3.21Å; Y31-E56 PolarHBondContact N-O 2.83Å; S32-E56 PolarHBondContact N-O 3.39Å; S32-E56 PolarHBondContact O-N 3.23Å; S32-E56 WeakPolarHBondContact OG-CB 3.5Å; S32-E56 WeakPolarHBondContact OG-CG 3.45Å; S32-E56 PolarHBondContact OG-OE2 2.76Å; E56-K104 IonicContact OE2-NZ 3.86Å; E56-Y105 WeakPolarHBondContact CA-O 3.08Å
57F98.7Very high98.5Very high0 Ų052.1 Ų52.10%027%0.271CS..EExtended strand (participates in β ladder)trans-150.8169.1-178.372.4-75.9000112.5K29 I55 V92 L98 K104 Y105 H107 L128 I136 V137K29-F57 CarbonylContact O-C 3.58Å; K29-F57 WeakPolarHBondContact O-CA 3.41Å; K29-F57 WeakPolarHBondContact O-CB 3.44Å; I55-F57 HydrophobicContact CG2-CB 4.49Å; I55-F57 HydrophobicContact CG2-CD1 4.31Å; F57-V92 HydrophobicContact CE1-CG1 4.32Å; F57-V92 HydrophobicContact CE1-CG2 4.45Å; F57-V92 HydrophobicContact CZ-CG1 4.29Å; F57-V92 HydrophobicContact CZ-CG2 4.49Å; F57-L98 HydrophobicContact CE2-CD1 4.02Å; F57-L98 HydrophobicContact CZ-CD1 3.96Å; F57-K104 CarbonylContact O-C 3.59Å; F57-K104 WeakPolarHBondContact O-CA 3.42Å; F57-Y105 HydrophobicContact CZ-CG 4.4Å; F57-Y105 PolarHBondContact N-O 3.49Å; F57-Y105 PolarHBondContact O-N 2.94Å; F57-H107 HydrophobicContact CE1-CB 4.12Å; F57-L128 HydrophobicContact CD1-CD1 4Å; F57-L128 HydrophobicContact CE1-CD1 3.65Å; F57-L128 HydrophobicContact CZ-CD1 3.93Å; F57-I136 HydrophobicContact CD2-CG2 4.42Å; F57-I136 HydrophobicContact CE2-CG2 4.08Å; F57-V137 HydrophobicContact CB-CG2 3.72Å; F57-V137 HydrophobicContact CD2-CG2 3.7Å; F57-V137 HydrophobicContact CG-CG2 3.84Å
58T98.6Very high98.5Very high22 Ų2250.1 Ų50.114%0.13526%0.262CS..EExtended strand (participates in β ladder)trans-123.4161.8165.461.10000109.1G28 K29 Y31 G103 K104G28-T58 CarbonylContact C-O 3.46Å; G28-T58 WeakPolarHBondContact CA-O 3.19Å; K29-T58 PolarHBondContact N-O 3.19Å; K29-T58 PolarHBondContact O-N 2.83Å; Y31-T58 HydrophobicContact CD2-CG2 4.18Å; Y31-T58 HydrophobicContact CE2-CG2 3.4Å; T58-G103 WeakPolarHBondContact CG2-O 3.35Å; T58-K104 HydrophobicContact CG2-CG 3.91Å
59T98.5Very high98.5Very high6 Ų649.9 Ų49.94%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-115.3150.2172.2-177.20000111.4E61 L98 P100 Y105T59-E61 VanDerWaalsContact CG2-O 3.23Å; T59-E61 WeakPolarHBondContact CG2-O 3.21Å; T59-E61 PolarHBondContact OG1-N 2.96Å; T59-E61 VanDerWaalsContact OG1-N 3.15Å; T59-E61 PolarHBondContact OG1-O 2.8Å; T59-L98 HydrophobicContact CG2-CB 3.86Å; T59-P100 HydrophobicContact CG2-CG 4.4Å; T59-P100 WeakPolarHBondContact O-CA 3.31Å; T59-P100 WeakPolarHBondContact O-CB 3.21Å; T59-Y105 HydrophobicContact CG2-CE2 4.2Å
60Q98.2Very high98.5Very high142 Ų14245.5 Ų45.566%0.66424%0.236SC*.SBendtrans-98.4-11170.5-65.2176.510200112.9F27 P100F27-Q60 HydrophobicContact CB-CB 4.44Å; F27-Q60 VanDerWaalsContact O-CB 3.32Å; F27-Q60 WeakPolarHBondContact O-CB 3.31Å; F27-Q60 WeakPolarHBondContact O-CG 3.4Å; F27-Q60 PolarHBondContact O-N 3.4Å; F27-Q60 PolarHBondContact O-NE2 3.08Å; Q60-P100 VanDerWaalsContact O-CG 3.31Å; Q60-P100 WeakPolarHBondContact O-CG 3.15Å
61E98Very high98.5Very high110 Ų11042.9 Ų42.951%0.51422%0.221SC..SBendtrans-124.3158178.7-62.5-168.6-162.900112F27 T59 V63F27-E61 HydrophobicContact CB-CG 4.19Å; F27-E61 HydrophobicContact CD2-CB 3.91Å; F27-E61 HydrophobicContact CD2-CG 4.17Å; F27-E61 HydrophobicContact CE2-CB 4.24Å; F27-E61 HydrophobicContact CG-CB 4.44Å; F27-E61 HydrophobicContact CG-CG 4.21Å; T59-E61 VanDerWaalsContact CG2-O 3.23Å; T59-E61 WeakPolarHBondContact CG2-O 3.21Å; T59-E61 PolarHBondContact OG1-N 2.96Å; T59-E61 VanDerWaalsContact OG1-N 3.15Å; T59-E61 PolarHBondContact OG1-O 2.8Å; E61-V63 PolarHBondContact O-N 2.8Å
62T98.4Very high98.5Very high88 Ų8843.3 Ų43.354%0.5423%0.225SC..  trans-80.2115.3175-61.30000110P97 L98 I99T62-P97 HydrophobicContact CG2-CB 4.43Å; T62-L98 CarbonylContact C-O 3.47Å; T62-L98 VanDerWaalsContact CA-O 3.23Å; T62-L98 WeakPolarHBondContact CA-O 3.13Å; T62-I99 HydrophobicContact CG2-CG1 4.44Å
63V98.5Very high98.5Very high6 Ų642.6 Ų42.64%0.03622%0.221CC..BIsolated β-bridgetrans-107.6113.6177.6-178.20000108.8F27 E61 D65 P97 L98 D130 I136F27-V63 HydrophobicContact CE2-CG2 3.75Å; F27-V63 HydrophobicContact CZ-CG2 4.38Å; E61-V63 PolarHBondContact O-N 2.8Å; V63-D65 WeakPolarHBondContact CG1-O 3.2Å; V63-P97 CarbonylContact O-C 3.57Å; V63-P97 WeakPolarHBondContact O-CA 3.06Å; V63-L98 HydrophobicContact CB-CB 4.06Å; V63-L98 HydrophobicContact CB-CD1 4.16Å; V63-L98 HydrophobicContact CB-CG 4.19Å; V63-L98 HydrophobicContact CG1-CD1 4.49Å; V63-L98 PolarHBondContact N-O 2.56Å; V63-L98 PolarHBondContact O-N 3.14Å; V63-D130 HydrophobicContact CG1-CB 4.17Å; V63-I136 HydrophobicContact CB-CD1 4.43Å; V63-I136 HydrophobicContact CG1-CD1 3.94Å; V63-I136 HydrophobicContact CG2-CD1 3.95Å; V63-I136 HydrophobicContact CG2-CG1 4.24Å
64K98.2Very high98.4Very high165 Ų16545.7 Ų45.772%0.71724%0.236SC*.SBendtrans-77.9-39.4-178.8-66.7-177.8-177.8175.80112.5C96K64-C96 WeakPolarHBondContact O-CB 3.13Å
65D98Very high98.1Very high86 Ų8648.4 Ų48.446%0.4626%0.262SS..SBendtrans-153.5163.4-178.859.590.5000108.9V63 S131V63-D65 WeakPolarHBondContact CG1-O 3.2Å; D65-S131 WeakPolarHBondContact OD1-CB 3.38Å
66G98.3Very high97.8Very high9 Ų957.1 Ų57.19%0.09330%0.302CS..EExtended strand (participates in β ladder)trans-174.8-178.7-176.400000111.5L88 Q129G66-L88 VanDerWaalsContact C-CB 3.4Å; G66-L88 WeakPolarHBondContact O-CB 3.17Å; G66-L88 PolarHBondContact O-N 2.04Å; G66-Q129 CarbonylContact C-O 3.45Å; G66-Q129 WeakPolarHBondContact CA-O 3.46Å
67H98.6Very high97.8Very high44 Ų4457.7 Ų57.720%0.20431%0.31CS..EExtended strand (participates in β ladder)trans-141.9164.1-179.667.5-70.8000112.6S86 Q129 D130 N133H67-S86 CarbonylContact C-O 3.54Å; H67-S86 WeakPolarHBondContact CA-O 3.42Å; H67-S86 WeakPolarHBondContact CB-O 3.44Å; H67-Q129 PolarHBondContact CE1-OE1 2.79Å; H67-Q129 PolarHBondContact N-O 3.06Å; H67-Q129 PolarHBondContact NE2-OE1 2.85Å; H67-Q129 PolarHBondContact O-N 3.25Å; H67-D130 PolarHBondContact CE1-O 3.41Å; H67-D130 PolarHBondContact ND1-O 2.81Å; H67-N133 PolarHBondContact CE1-OD1 2.82Å; H67-N133 PolarHBondContact NE2-OD1 2.9Å
68I98.8Very high97.7Very high6 Ų660.4 Ų60.43%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-105126.5-179.6-55.4156.1000107.7V70 L83 S86 L88 F91 H107 Y109 W126 E127 L128I68-V70 HydrophobicContact CG2-CG2 4.05Å; I68-L83 HydrophobicContact CB-CD1 3.81Å; I68-L83 HydrophobicContact CG2-CD1 3.55Å; I68-S86 PolarHBondContact N-O 3.26Å; I68-S86 WeakPolarHBondContact O-CB 3.42Å; I68-L88 HydrophobicContact CG1-CB 4.32Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; I68-F91 HydrophobicContact CD1-CB 4.09Å; I68-F91 HydrophobicContact CD1-CD2 3.58Å; I68-F91 HydrophobicContact CD1-CE2 4.38Å; I68-F91 HydrophobicContact CD1-CG 4.1Å; I68-H107 VanDerWaalsContact CD1-CE1 3.4Å; I68-H107 WeakPolarHBondContact CD1-CE1 3.37Å; I68-Y109 HydrophobicContact CD1-CD2 3.77Å; I68-Y109 HydrophobicContact CD1-CE2 4.04Å; I68-W126 HydrophobicContact CG2-CZ2 3.65Å; I68-E127 WeakPolarHBondContact CA-O 3.33Å; I68-L128 HydrophobicContact CG1-CD2 4.24Å; I68-L128 HydrophobicContact CG2-CD2 4.45Å
69S98.7Very high97.6Very high27 Ų2763.4 Ų63.419%0.18934%0.342CS..EExtended strand (participates in β ladder)trans-115.4139.2173.7-175.10000109.6H71 E127S69-H71 PolarHBondContact OG-CE1 2.95Å; S69-H71 VanDerWaalsContact OG-CE1 3.31Å; S69-E127 PolarHBondContact N-O 3.35Å; S69-E127 PolarHBondContact O-N 3.32Å
70V98.8Very high97.6Very high10 Ų1067.9 Ų67.96%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-136.6131-175-175.90000109.6I68 F81 L83 I124 R125 W126I68-V70 HydrophobicContact CG2-CG2 4.05Å; V70-F81 HydrophobicContact CB-CB 4.31Å; V70-F81 HydrophobicContact CG1-CB 4.17Å; V70-F81 HydrophobicContact CG1-CD1 4.35Å; V70-F81 PolarHBondContact O-N 2.83Å; V70-L83 HydrophobicContact CG2-CD1 3.81Å; V70-L83 HydrophobicContact CG2-CD2 4.11Å; V70-L83 HydrophobicContact CG2-CG 4.09Å; V70-I124 HydrophobicContact CG1-CG2 4.24Å; V70-R125 WeakPolarHBondContact CA-O 3.45Å; V70-W126 HydrophobicContact CB-CE3 4.41Å; V70-W126 HydrophobicContact CG1-CE3 3.95Å; V70-W126 HydrophobicContact CG1-CZ3 4.15Å; V70-W126 HydrophobicContact CG2-CD2 3.87Å; V70-W126 HydrophobicContact CG2-CE3 3.52Å; V70-W126 HydrophobicContact CG2-CH2 3.95Å; V70-W126 HydrophobicContact CG2-CZ2 4.27Å; V70-W126 HydrophobicContact CG2-CZ3 3.57Å
71H98.7Very high97.6Very high38 Ų3864.5 Ų64.518%0.17636%0.355CS..EExtended strand (participates in β ladder)trans-127.5136.4174.8-59.684.3000111.2S69 P78 I79 P80 R125 E127S69-H71 PolarHBondContact OG-CE1 2.95Å; S69-H71 VanDerWaalsContact OG-CE1 3.31Å; H71-P78 HydrophobicContact CB-CB 4.06Å; H71-I79 CarbonylContact C-O 3.55Å; H71-I79 VanDerWaalsContact CA-O 3.24Å; H71-I79 WeakPolarHBondContact CA-O 3.41Å; H71-P80 VanDerWaalsContact CD2-CA 3.49Å; H71-P80 WeakPolarHBondContact CD2-CA 3.4Å; H71-R125 HydrophobicContact CB-CB 4.2Å; H71-R125 PolarHBondContact N-O 2.04Å; H71-R125 PolarHBondContact O-N 2.95Å; H71-E127 IonicContact CE1-OE2 2.73Å; H71-E127 PolarHBondContact CE1-OE2 3.39Å; H71-E127 IonicContact CG-OE2 2.82Å; H71-E127 IonicContact ND1-OE2 3.2Å; H71-E127 PolarHBondContact ND1-OE2 2.77Å
72G98.3Very high97.5Very high12 Ų1263.4 Ų63.412%0.12437%0.365CS..EExtended strand (participates in β ladder)trans-87.6111.4162.200000109.6I79G72-I79 PolarHBondContact N-O 2.83Å; G72-I79 WeakPolarHBondContact O-CB 3.38Å; G72-I79 PolarHBondContact O-N 2.9Å
73V98.3Very high97.5Very high20 Ų2060.4 Ų60.412%0.12135%0.345CS..EExtended strand (participates in β ladder)trans-87.3110.7176.8-172.90000109.3V77 P78 T123 R125V73-V77 WeakPolarHBondContact CA-O 3.31Å; V73-P78 HydrophobicContact CG2-CB 4.25Å; V73-T123 PolarHBondContact N-O 2.86Å; V73-T123 PolarHBondContact O-N 2.83Å; V73-T123 VanDerWaalsContact O-N 3.14Å; V73-R125 HydrophobicContact CG2-CB 4.21Å
74I96.5Very high97.4Very high69 Ų6967.9 Ų67.935%0.35439%0.385SS..EExtended strand (participates in β ladder)trans-123.1125.8-179.4-60.4168.4000107.7H76 V77 I120 L122I74-H76 PolarHBondContact O-N 3.26Å; I74-V77 PolarHBondContact N-O 3.47Å; I74-V77 PolarHBondContact O-N 2.96Å; I74-I120 HydrophobicContact CD1-CD1 4.45Å; I74-I120 HydrophobicContact CG2-CD1 4.16Å; I74-L122 HydrophobicContact CG1-CB 3.87Å
75A93.7Very high97.4Very high88 Ų8862.6 Ų62.673%0.72736%0.364SS*.THydrogen-bonded Turntrans49.143.3-17600000113V77A75-V77 PolarHBondContact O-N 3.4Å
76H92.3Very high97.4Very high183 Ų18361 Ų6185%0.84736%0.36SS*.THydrogen-bonded Turntrans66.52.4-176.3-51.5-70.9000116.6I74I74-H76 PolarHBondContact O-N 3.26Å
77V97.2Very high97.4Very high81 Ų8163.2 Ų63.249%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-95.1118.8175.8-173.80000109.3V73 I74 A75 I79V73-V77 WeakPolarHBondContact CA-O 3.31Å; I74-V77 PolarHBondContact N-O 3.47Å; I74-V77 PolarHBondContact O-N 2.96Å; A75-V77 PolarHBondContact O-N 3.4Å; V77-I79 HydrophobicContact CB-CD1 4.36Å; V77-I79 HydrophobicContact CG1-CD1 3.67Å; V77-I79 PolarHBondContact O-N 2.77Å
78P97Very high97.4Very high57 Ų5761.1 Ų61.137%0.3736%0.36SS..EExtended strand (participates in β ladder)trans-74.8117173.130-31.9000110H71 V73H71-P78 HydrophobicContact CB-CB 4.06Å; V73-P78 HydrophobicContact CG2-CB 4.25Å
79I97.9Very high97.4Very high85 Ų8561.7 Ų61.744%0.43637%0.365SS..EExtended strand (participates in β ladder)trans-103.4121.1177.3-52.8-59.6000108.7H71 G72 V77H71-I79 CarbonylContact C-O 3.55Å; H71-I79 VanDerWaalsContact CA-O 3.24Å; H71-I79 WeakPolarHBondContact CA-O 3.41Å; G72-I79 PolarHBondContact N-O 2.83Å; G72-I79 WeakPolarHBondContact O-CB 3.38Å; G72-I79 PolarHBondContact O-N 2.9Å; V77-I79 HydrophobicContact CB-CD1 4.36Å; V77-I79 HydrophobicContact CG1-CD1 3.67Å; V77-I79 PolarHBondContact O-N 2.77Å
80P97.9Very high97.4Very high99 Ų9966 Ų6664%0.64338%0.382SS*.EExtended strand (participates in β ladder)trans-65.2140.1-177.526.5-34.3000111.6H71H71-P80 VanDerWaalsContact CD2-CA 3.49Å; H71-P80 WeakPolarHBondContact CD2-CA 3.4Å
81F97.3Very high97.4Very high71 Ų7168 Ų6831%0.31139%0.389SS..  trans-116.5112.9173.7-177.9-99000109.5V70 L83 L111 Y117V70-F81 HydrophobicContact CB-CB 4.31Å; V70-F81 HydrophobicContact CG1-CB 4.17Å; V70-F81 HydrophobicContact CG1-CD1 4.35Å; V70-F81 PolarHBondContact O-N 2.83Å; F81-L83 HydrophobicContact CD1-CD2 3.93Å; F81-L83 HydrophobicContact CE1-CD2 3.9Å; F81-L83 PolarHBondContact O-N 2.88Å; F81-L111 HydrophobicContact CE1-CD1 4.09Å; F81-L111 HydrophobicContact CE1-CD2 4.19Å; F81-Y117 HydrophobicContact CE2-CE2 4.47Å; F81-Y117 WeakPolarHBondContact CE2-OH 3.26Å
82A96.4Very high97.4Very high88 Ų8866.6 Ų66.673%0.72738%0.384SS*.  trans-73121.1179.100000110.7
83L97.7Very high97.4Very high25 Ų2569.9 Ų69.913%0.13141%0.405CS..  trans-82.1146170.2-62.4178.2000110.2I68 V70 F81 N85 Y109 L111 W126I68-L83 HydrophobicContact CB-CD1 3.81Å; I68-L83 HydrophobicContact CG2-CD1 3.55Å; V70-L83 HydrophobicContact CG2-CD1 3.81Å; V70-L83 HydrophobicContact CG2-CD2 4.11Å; V70-L83 HydrophobicContact CG2-CG 4.09Å; F81-L83 HydrophobicContact CD1-CD2 3.93Å; F81-L83 HydrophobicContact CE1-CD2 3.9Å; F81-L83 PolarHBondContact O-N 2.88Å; L83-N85 PolarHBondContact O-N 2.76Å; L83-Y109 HydrophobicContact CD1-CE2 4.02Å; L83-Y109 HydrophobicContact CD2-CE1 4.18Å; L83-L111 HydrophobicContact CD2-CD1 3.87Å; L83-L111 HydrophobicContact CD2-CD2 3.87Å; L83-L111 HydrophobicContact CD2-CG 4.4Å; L83-W126 HydrophobicContact CD2-CH2 4.47Å
84D96.4Very high97.4Very high162 Ų16271.8 Ų71.887%0.86642%0.417SS*.SBendtrans-64.3-32.2174.8-65.9-30.6000111.7
85N98.2Very high97.5Very high54 Ų5472.7 Ų72.729%0.28943%0.426SS..  trans-141.1119.1172.2-178.3-3.8000109.1L83 N87 E90 F91 Y109L83-N85 PolarHBondContact O-N 2.76Å; N85-N87 WeakPolarHBondContact OD1-CB 3.3Å; N85-N87 PolarHBondContact OD1-N 2.82Å; N85-E90 PolarHBondContact ND2-OE2 2.96Å; N85-F91 HydrophobicContact CB-CE2 4.12Å; N85-F91 HydrophobicContact CB-CZ 4.11Å; N85-Y109 VanDerWaalsContact O-CE2 3.3Å; N85-Y109 WeakPolarHBondContact O-CE2 3.2Å; N85-Y109 PolarHBondContact O-OH 3.06Å; N85-Y109 VanDerWaalsContact O-OH 3.08Å
86S98.4Very high97.7Very high53 Ų5369.6 Ų69.637%0.37140%0.399SS..  trans-103.45.6-179.659.80000113.6H67 I68 L88H67-S86 CarbonylContact C-O 3.54Å; H67-S86 WeakPolarHBondContact CA-O 3.42Å; H67-S86 WeakPolarHBondContact CB-O 3.44Å; I68-S86 PolarHBondContact N-O 3.26Å; I68-S86 WeakPolarHBondContact O-CB 3.42Å; S86-L88 PolarHBondContact O-N 2.95Å; S86-L88 VanDerWaalsContact O-N 3.07Å
87N98.6Very high98Very high56 Ų5663.8 Ų63.830%0.29938%0.378SS..BIsolated β-bridgetrans-67.4107.7-178.4-178.2-9.1000111.3N85 C89 E90 F91N85-N87 WeakPolarHBondContact OD1-CB 3.3Å; N85-N87 PolarHBondContact OD1-N 2.82Å; N87-C89 PolarHBondContact O-N 3.08Å; N87-C89 VanDerWaalsContact O-N 3.16Å; N87-C89 PolarHBondContact OD1-N 3.06Å; N87-C89 VanDerWaalsContact OD1-N 3.15Å; N87-E90 HydrophobicContact CB-CG 4.19Å; N87-E90 PolarHBondContact ND2-OE1 3.15Å; N87-E90 PolarHBondContact O-N 3.01Å; N87-F91 WeakPolarHBondContact O-CD2 3.35Å
88L98.7Very high98Very high0 Ų059.9 Ų59.90%035%0.354CS..G310 helixtrans-53.9-42.1-175.6176.262.6000112.5G66 I68 S86 E90 F91 V92 L98 L128 I136G66-L88 VanDerWaalsContact C-CB 3.4Å; G66-L88 WeakPolarHBondContact O-CB 3.17Å; G66-L88 PolarHBondContact O-N 2.04Å; I68-L88 HydrophobicContact CG1-CB 4.32Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; S86-L88 PolarHBondContact O-N 2.95Å; S86-L88 VanDerWaalsContact O-N 3.07Å; L88-E90 PolarHBondContact O-N 2.98Å; L88-F91 PolarHBondContact O-N 3.05Å; L88-V92 HydrophobicContact CD1-CG2 3.55Å; L88-V92 HydrophobicContact CG-CG2 4Å; L88-V92 WeakPolarHBondContact O-CG2 3.42Å; L88-V92 PolarHBondContact O-N 2.96Å; L88-L98 HydrophobicContact CD2-CD1 4.37Å; L88-L128 HydrophobicContact CD1-CB 3.99Å; L88-L128 HydrophobicContact CD1-CD1 4.31Å; L88-L128 HydrophobicContact CD1-CD2 3.74Å; L88-L128 HydrophobicContact CD1-CG 4.21Å; L88-L128 HydrophobicContact CD2-CB 4.48Å; L88-I136 HydrophobicContact CD2-CD1 3.61Å
89C98.4Very high98.1Very high18 Ų1859.9 Ų59.912%0.12235%0.35CS..G310 helixtrans-69.8-17.8-170.9-60.90000113.8N87 F91 T95 C96N87-C89 PolarHBondContact O-N 3.08Å; N87-C89 VanDerWaalsContact O-N 3.16Å; N87-C89 PolarHBondContact OD1-N 3.06Å; N87-C89 VanDerWaalsContact OD1-N 3.15Å; C89-F91 VanDerWaalsContact C-N 3.33Å; C89-T95 PolarHBondContact O-OG1 2.99Å; C89-C96 WeakPolarHBondContact CA-SG 3.41Å; C89-C96 HydrophobicContact CB-CB 3.58Å; C89-C96 WeakPolarHBondContact CB-SG 3.32Å; C89-C96 WeakPolarHBondContact SG-CB 3.39Å; C89-C96 CovalentContact SG-SG 2.03Å; C89-C96 PolarHBondContact SG-SG 2.98Å
90E98.6Very high98.1Very high118 Ų11858.2 Ų58.255%0.55135%0.345SS*.G310 helixtrans-80.3-16.9173.9-68.7179-143.600112.7N85 N87 L88N85-E90 PolarHBondContact ND2-OE2 2.96Å; N87-E90 HydrophobicContact CB-CG 4.19Å; N87-E90 PolarHBondContact ND2-OE1 3.15Å; N87-E90 PolarHBondContact O-N 3.01Å; L88-E90 PolarHBondContact O-N 2.98Å
91F98.8Very high98.1Very high50 Ų5058.9 Ų58.922%0.21935%0.352CS..SBendtrans-118.514.8-174.7-60.1-76.7000113.2I68 N85 N87 L88 C89 H107 T108 Y109I68-F91 HydrophobicContact CD1-CB 4.09Å; I68-F91 HydrophobicContact CD1-CD2 3.58Å; I68-F91 HydrophobicContact CD1-CE2 4.38Å; I68-F91 HydrophobicContact CD1-CG 4.1Å; N85-F91 HydrophobicContact CB-CE2 4.12Å; N85-F91 HydrophobicContact CB-CZ 4.11Å; N87-F91 WeakPolarHBondContact O-CD2 3.35Å; L88-F91 PolarHBondContact O-N 3.05Å; C89-F91 VanDerWaalsContact C-N 3.33Å; F91-H107 VanDerWaalsContact CB-CE1 3.47Å; F91-H107 WeakPolarHBondContact CB-CE1 3.4Å; F91-H107 CarbonylContact O-C 3.47Å; F91-H107 WeakPolarHBondContact O-CA 3.08Å; F91-H107 PolarHBondContact O-ND1 2.83Å; F91-T108 PolarHBondContact O-N 3.07Å; F91-Y109 HydrophobicContact CB-CD2 4.34Å; F91-Y109 AromaticContact CD1-CD2 3.66Å; F91-Y109 HydrophobicContact CD1-CD2 3.66Å; F91-Y109 HydrophobicContact CD1-CE2 4.01Å; F91-Y109 HydrophobicContact CD1-CG 4.34Å; F91-Y109 AromaticContact CD2-CD2 3.85Å; F91-Y109 HydrophobicContact CD2-CD2 3.85Å; F91-Y109 AromaticContact CD2-CE2 3.81Å; F91-Y109 HydrophobicContact CD2-CE2 3.81Å; F91-Y109 AromaticContact CE1-CD2 3.83Å; F91-Y109 HydrophobicContact CE1-CD2 3.83Å; F91-Y109 AromaticContact CE1-CE2 3.73Å; F91-Y109 HydrophobicContact CE1-CE2 3.73Å; F91-Y109 HydrophobicContact CE2-CD2 4.03Å; F91-Y109 AromaticContact CE2-CE2 3.53Å; F91-Y109 HydrophobicContact CE2-CE2 3.53Å; F91-Y109 AromaticContact CG-CD2 3.67Å; F91-Y109 HydrophobicContact CG-CD2 3.67Å; F91-Y109 HydrophobicContact CG-CE2 4.05Å; F91-Y109 HydrophobicContact CZ-CD2 4.02Å; F91-Y109 AromaticContact CZ-CE2 3.48Å; F91-Y109 HydrophobicContact CZ-CE2 3.48Å; F91-Y109 VanDerWaalsContact CZ-CE2 3.48Å
92V98.8Very high98Very high9 Ų959.5 Ų59.56%0.05536%0.358CS..EExtended strand (participates in β ladder)trans-123.4136.3177.9178.60000110.3F57 L88 P94 T95 L98 Y105 T106 H107F57-V92 HydrophobicContact CE1-CG1 4.32Å; F57-V92 HydrophobicContact CE1-CG2 4.45Å; F57-V92 HydrophobicContact CZ-CG1 4.29Å; F57-V92 HydrophobicContact CZ-CG2 4.49Å; L88-V92 HydrophobicContact CD1-CG2 3.55Å; L88-V92 HydrophobicContact CG-CG2 4Å; L88-V92 WeakPolarHBondContact O-CG2 3.42Å; L88-V92 PolarHBondContact O-N 2.96Å; V92-P94 CarbonylContact C-O 3.51Å; V92-P94 CarbonylContact O-C 3.55Å; V92-T95 WeakPolarHBondContact O-CA 3.33Å; V92-T95 PolarHBondContact O-N 3.25Å; V92-L98 HydrophobicContact CG1-CD2 3.77Å; V92-Y105 HydrophobicContact CG1-CD1 3.72Å; V92-Y105 HydrophobicContact CG1-CG 4.15Å; V92-T106 WeakPolarHBondContact CA-O 3.29Å; V92-H107 HydrophobicContact CG2-CB 3.94Å
93S98.7Very high97.9Very high81 Ų8156.5 Ų56.557%0.56634%0.336SS*.EExtended strand (participates in β ladder)trans-125.4130.2173.6-172.10000110.9T106S93-T106 PolarHBondContact N-O 3.28Å; S93-T106 PolarHBondContact O-N 3.07Å
94P98.2Very high98Very high60 Ų6060.5 Ų60.539%0.3935%0.352SS..SBendcis-57151.2-10.2-2334.7000112.7V92 I102 Y105V92-P94 CarbonylContact C-O 3.51Å; V92-P94 CarbonylContact O-C 3.55Å; P94-I102 HydrophobicContact CG-CG2 4.05Å; P94-Y105 HydrophobicContact CB-CE1 4.19Å; P94-Y105 HydrophobicContact CG-CE1 4.42Å; P94-Y105 VanDerWaalsContact O-CD1 3.24Å; P94-Y105 WeakPolarHBondContact O-CD1 3.43Å; P94-Y105 VanDerWaalsContact O-CE1 3.31Å; P94-Y105 WeakPolarHBondContact O-CE1 3.32Å
95T97.9Very high98.1Very high88 Ų8852.8 Ų52.854%0.5431%0.311SS..PPolyproline II helixtrans-69.3168.3-179.4-167.80000111.9C89 V92C89-T95 PolarHBondContact O-OG1 2.99Å; V92-T95 WeakPolarHBondContact O-CA 3.33Å; V92-T95 PolarHBondContact O-N 3.25Å
96C98.1Very high98.1Very high24 Ų2452.3 Ų52.316%0.16231%0.31CS..SBendtrans-59.7153.2179.6-63.80000112.9K64 C89K64-C96 WeakPolarHBondContact O-CB 3.13Å; C89-C96 WeakPolarHBondContact CA-SG 3.41Å; C89-C96 HydrophobicContact CB-CB 3.58Å; C89-C96 WeakPolarHBondContact CB-SG 3.32Å; C89-C96 WeakPolarHBondContact SG-CB 3.39Å; C89-C96 CovalentContact SG-SG 2.03Å; C89-C96 PolarHBondContact SG-SG 2.98Å
97P98.2Very high98.1Very high60 Ų6049.8 Ų49.839%0.3929%0.292SS..SBendcis-69.8140.73.129.2-36000112.9T62 V63 I99T62-P97 HydrophobicContact CG2-CB 4.43Å; V63-P97 CarbonylContact O-C 3.57Å; V63-P97 WeakPolarHBondContact O-CA 3.06Å; P97-I99 HydrophobicContact CB-CG1 4.2Å; P97-I99 HydrophobicContact CG-CD1 3.94Å; P97-I99 HydrophobicContact CG-CG1 4.11Å; P97-I99 PolarHBondContact O-N 2.89Å
98L98.5Very high98.2Very high0 Ų050 Ų500%030%0.296CS..BIsolated β-bridgetrans-74.2120.9167.4-45.6-178.5000107F57 T59 T62 V63 L88 V92 Y105 I136F57-L98 HydrophobicContact CE2-CD1 4.02Å; F57-L98 HydrophobicContact CZ-CD1 3.96Å; T59-L98 HydrophobicContact CG2-CB 3.86Å; T62-L98 CarbonylContact C-O 3.47Å; T62-L98 VanDerWaalsContact CA-O 3.23Å; T62-L98 WeakPolarHBondContact CA-O 3.13Å; V63-L98 HydrophobicContact CB-CB 4.06Å; V63-L98 HydrophobicContact CB-CD1 4.16Å; V63-L98 HydrophobicContact CB-CG 4.19Å; V63-L98 HydrophobicContact CG1-CD1 4.49Å; V63-L98 PolarHBondContact N-O 2.56Å; V63-L98 PolarHBondContact O-N 3.14Å; L88-L98 HydrophobicContact CD2-CD1 4.37Å; V92-L98 HydrophobicContact CG1-CD2 3.77Å; L98-Y105 WeakPolarHBondContact CA-OH 3.29Å; L98-Y105 HydrophobicContact CB-CE1 4.42Å; L98-Y105 HydrophobicContact CB-CE2 4.18Å; L98-Y105 HydrophobicContact CD2-CD1 3.58Å; L98-Y105 HydrophobicContact CD2-CE1 3.49Å; L98-Y105 VanDerWaalsContact CD2-CE1 3.49Å; L98-Y105 HydrophobicContact CD2-CE2 4.47Å; L98-Y105 HydrophobicContact CD2-CG 4.1Å; L98-I136 HydrophobicContact CD1-CD1 4.27Å
99I98.5Very high98.2Very high56 Ų5650.6 Ų50.629%0.28730%0.298SS..  trans-123.8129.3-175.5-58.9170.8000107.6T62 P97 S101 I102 Y105T62-I99 HydrophobicContact CG2-CG1 4.44Å; P97-I99 HydrophobicContact CB-CG1 4.2Å; P97-I99 HydrophobicContact CG-CD1 3.94Å; P97-I99 HydrophobicContact CG-CG1 4.11Å; P97-I99 PolarHBondContact O-N 2.89Å; I99-S101 WeakPolarHBondContact CG2-OG 3.44Å; I99-S101 PolarHBondContact O-N 3.49Å; I99-S101 VanDerWaalsContact O-N 3.08Å; I99-I102 HydrophobicContact CB-CD1 3.96Å; I99-I102 HydrophobicContact CB-CG1 4.13Å; I99-I102 HydrophobicContact CD1-CD1 4.12Å; I99-I102 HydrophobicContact CG1-CD1 4.31Å; I99-I102 WeakPolarHBondContact O-CB 3.24Å; I99-I102 PolarHBondContact O-N 2.89Å; I99-Y105 PolarHBondContact N-OH 2.91Å; I99-Y105 PolarHBondContact O-OH 3.41Å
100P98.4Very high98.2Very high51 Ų5152.5 Ų52.533%0.33131%0.312SS..G310 helixtrans-53.3-35.8-177.3-30.337.1000114.5T59 Q60 I102 G103T59-P100 HydrophobicContact CG2-CG 4.4Å; T59-P100 WeakPolarHBondContact O-CA 3.31Å; T59-P100 WeakPolarHBondContact O-CB 3.21Å; Q60-P100 VanDerWaalsContact O-CG 3.31Å; Q60-P100 WeakPolarHBondContact O-CG 3.15Å; P100-I102 VanDerWaalsContact C-N 3.29Å; P100-I102 PolarHBondContact O-N 3.25Å; P100-G103 PolarHBondContact O-N 2.82Å
101S97.7Very high98.1Very high112 Ų11248.4 Ų48.478%0.78329%0.293SS*.G310 helixtrans-71.9-15.5-178.562.40000114.9I99 G103I99-S101 WeakPolarHBondContact CG2-OG 3.44Å; I99-S101 PolarHBondContact O-N 3.49Å; I99-S101 VanDerWaalsContact O-N 3.08Å; S101-G103 VanDerWaalsContact C-N 3.29Å
102I95.8Very high98.1Very high84 Ų8452.1 Ų52.143%0.43131%0.307SS..G310 helixtrans-73.8-27.7175.8-68.6176.6000110.4P94 I99 P100 Y105P94-I102 HydrophobicContact CG-CG2 4.05Å; I99-I102 HydrophobicContact CB-CD1 3.96Å; I99-I102 HydrophobicContact CB-CG1 4.13Å; I99-I102 HydrophobicContact CD1-CD1 4.12Å; I99-I102 HydrophobicContact CG1-CD1 4.31Å; I99-I102 WeakPolarHBondContact O-CB 3.24Å; I99-I102 PolarHBondContact O-N 2.89Å; P100-I102 VanDerWaalsContact C-N 3.29Å; P100-I102 PolarHBondContact O-N 3.25Å; I102-Y105 HydrophobicContact CB-CE2 4.41Å; I102-Y105 WeakPolarHBondContact CB-OH 3.12Å; I102-Y105 VanDerWaalsContact CD1-OH 3.28Å; I102-Y105 WeakPolarHBondContact CD1-OH 3.37Å; I102-Y105 HydrophobicContact CG2-CE1 4.27Å; I102-Y105 HydrophobicContact CG2-CE2 4.42Å
103G94.5Very high98Very high26 Ų2652.2 Ų52.227%0.26831%0.307SS..  trans89.3-120.8179.800000111.9T58 P100 S101 Y105T58-G103 WeakPolarHBondContact CG2-O 3.35Å; P100-G103 PolarHBondContact O-N 2.82Å; S101-G103 VanDerWaalsContact C-N 3.29Å; G103-Y105 WeakPolarHBondContact O-CD2 3.25Å
104K98.3Very high98Very high109 Ų10953.1 Ų53.147%0.47430%0.301SS..EExtended strand (participates in β ladder)trans-80.6139.4-170.5-74-170.8174.7-169.10112.5E56 F57 T58E56-K104 IonicContact OE2-NZ 3.86Å; F57-K104 CarbonylContact O-C 3.59Å; F57-K104 WeakPolarHBondContact O-CA 3.42Å; T58-K104 HydrophobicContact CG2-CG 3.91Å
105Y98.8Very high98Very high0 Ų053.8 Ų53.80%031%0.312CS..EExtended strand (participates in β ladder)trans-118.3149.2172.1-69.6-83000109.8E56 F57 T59 V92 P94 L98 I99 I102 G103E56-Y105 WeakPolarHBondContact CA-O 3.08Å; F57-Y105 HydrophobicContact CZ-CG 4.4Å; F57-Y105 PolarHBondContact N-O 3.49Å; F57-Y105 PolarHBondContact O-N 2.94Å; T59-Y105 HydrophobicContact CG2-CE2 4.2Å; V92-Y105 HydrophobicContact CG1-CD1 3.72Å; V92-Y105 HydrophobicContact CG1-CG 4.15Å; P94-Y105 HydrophobicContact CB-CE1 4.19Å; P94-Y105 HydrophobicContact CG-CE1 4.42Å; P94-Y105 VanDerWaalsContact O-CD1 3.24Å; P94-Y105 WeakPolarHBondContact O-CD1 3.43Å; P94-Y105 VanDerWaalsContact O-CE1 3.31Å; P94-Y105 WeakPolarHBondContact O-CE1 3.32Å; L98-Y105 WeakPolarHBondContact CA-OH 3.29Å; L98-Y105 HydrophobicContact CB-CE1 4.42Å; L98-Y105 HydrophobicContact CB-CE2 4.18Å; L98-Y105 HydrophobicContact CD2-CD1 3.58Å; L98-Y105 HydrophobicContact CD2-CE1 3.49Å; L98-Y105 VanDerWaalsContact CD2-CE1 3.49Å; L98-Y105 HydrophobicContact CD2-CE2 4.47Å; L98-Y105 HydrophobicContact CD2-CG 4.1Å; I99-Y105 PolarHBondContact N-OH 2.91Å; I99-Y105 PolarHBondContact O-OH 3.41Å; I102-Y105 HydrophobicContact CB-CE2 4.41Å; I102-Y105 WeakPolarHBondContact CB-OH 3.12Å; I102-Y105 VanDerWaalsContact CD1-OH 3.28Å; I102-Y105 WeakPolarHBondContact CD1-OH 3.37Å; I102-Y105 HydrophobicContact CG2-CE1 4.27Å; I102-Y105 HydrophobicContact CG2-CE2 4.42Å; G103-Y105 WeakPolarHBondContact O-CD2 3.25Å
106T98.9Very high98Very high44 Ų4457.2 Ų57.227%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-120.2111.9173.5-55.90000108.7T54 I55 V92 S93T54-T106 HydrophobicContact CG2-CG2 3.53Å; I55-T106 CarbonylContact O-C 3.58Å; I55-T106 WeakPolarHBondContact O-CA 3.33Å; V92-T106 WeakPolarHBondContact CA-O 3.29Å; S93-T106 PolarHBondContact N-O 3.28Å; S93-T106 PolarHBondContact O-N 3.07Å
107H98.9Very high97.9Very high0 Ų058.4 Ų58.40%033%0.325CS..EExtended strand (participates in β ladder)trans-84.7130.4167.2174.757.7000109.5T54 I55 F57 I68 F91 V92 W126 L128T54-H107 CarbonylContact C-O 3.59Å; T54-H107 VanDerWaalsContact CA-O 3.25Å; T54-H107 WeakPolarHBondContact CA-O 3.45Å; I55-H107 HydrophobicContact CB-CB 4.24Å; I55-H107 PolarHBondContact N-O 3.2Å; I55-H107 PolarHBondContact O-N 3.37Å; F57-H107 HydrophobicContact CE1-CB 4.12Å; I68-H107 VanDerWaalsContact CD1-CE1 3.4Å; I68-H107 WeakPolarHBondContact CD1-CE1 3.37Å; F91-H107 VanDerWaalsContact CB-CE1 3.47Å; F91-H107 WeakPolarHBondContact CB-CE1 3.4Å; F91-H107 CarbonylContact O-C 3.47Å; F91-H107 WeakPolarHBondContact O-CA 3.08Å; F91-H107 PolarHBondContact O-ND1 2.83Å; V92-H107 HydrophobicContact CG2-CB 3.94Å; H107-W126 AromaticContact CD2-NE1 3.37Å; H107-W126 PolarHBondContact CD2-NE1 2.81Å; H107-W126 AromaticContact NE2-CE2 3.44Å; H107-W126 AromaticContact NE2-CZ2 3.38Å; H107-W126 WeakPolarHBondContact NE2-CZ2 3.45Å; H107-W126 AromaticContact NE2-NE1 3.01Å; H107-W126 PolarHBondContact NE2-NE1 2.71Å; H107-L128 HydrophobicContact CB-CD1 3.9Å; H107-L128 HydrophobicContact CB-CD2 4.48Å
108T98.9Very high97.8Very high60 Ų6059.6 Ų59.637%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-135.3127.5175.1-59.30000110.9T52 I53 F91T52-T108 HydrophobicContact CG2-CG2 3.64Å; I53-T108 WeakPolarHBondContact O-CA 3.47Å; F91-T108 PolarHBondContact O-N 3.07Å
109Y98.8Very high97.8Very high12 Ų1263.5 Ų63.55%0.04736%0.36CS..EExtended strand (participates in β ladder)trans-136.8130.9178.5-157.7-67.3000110.4T52 I53 I68 L83 N85 F91 L111 W126T52-Y109 CarbonylContact C-O 3.55Å; T52-Y109 VanDerWaalsContact CA-O 3.31Å; T52-Y109 WeakPolarHBondContact CA-O 3.34Å; I53-Y109 PolarHBondContact N-O 2.79Å; I53-Y109 PolarHBondContact O-N 3.05Å; I68-Y109 HydrophobicContact CD1-CD2 3.77Å; I68-Y109 HydrophobicContact CD1-CE2 4.04Å; L83-Y109 HydrophobicContact CD1-CE2 4.02Å; L83-Y109 HydrophobicContact CD2-CE1 4.18Å; N85-Y109 VanDerWaalsContact O-CE2 3.3Å; N85-Y109 WeakPolarHBondContact O-CE2 3.2Å; N85-Y109 PolarHBondContact O-OH 3.06Å; N85-Y109 VanDerWaalsContact O-OH 3.08Å; F91-Y109 HydrophobicContact CB-CD2 4.34Å; F91-Y109 AromaticContact CD1-CD2 3.66Å; F91-Y109 HydrophobicContact CD1-CD2 3.66Å; F91-Y109 HydrophobicContact CD1-CE2 4.01Å; F91-Y109 HydrophobicContact CD1-CG 4.34Å; F91-Y109 AromaticContact CD2-CD2 3.85Å; F91-Y109 HydrophobicContact CD2-CD2 3.85Å; F91-Y109 AromaticContact CD2-CE2 3.81Å; F91-Y109 HydrophobicContact CD2-CE2 3.81Å; F91-Y109 AromaticContact CE1-CD2 3.83Å; F91-Y109 HydrophobicContact CE1-CD2 3.83Å; F91-Y109 AromaticContact CE1-CE2 3.73Å; F91-Y109 HydrophobicContact CE1-CE2 3.73Å; F91-Y109 HydrophobicContact CE2-CD2 4.03Å; F91-Y109 AromaticContact CE2-CE2 3.53Å; F91-Y109 HydrophobicContact CE2-CE2 3.53Å; F91-Y109 AromaticContact CG-CD2 3.67Å; F91-Y109 HydrophobicContact CG-CD2 3.67Å; F91-Y109 HydrophobicContact CG-CE2 4.05Å; F91-Y109 HydrophobicContact CZ-CD2 4.02Å; F91-Y109 AromaticContact CZ-CE2 3.48Å; F91-Y109 HydrophobicContact CZ-CE2 3.48Å; F91-Y109 VanDerWaalsContact CZ-CE2 3.48Å; Y109-L111 HydrophobicContact CD1-CD1 4.22Å; Y109-L111 HydrophobicContact CD1-CD2 4.11Å; Y109-L111 HydrophobicContact CD1-CG 3.67Å; Y109-L111 HydrophobicContact CE1-CD1 4.29Å; Y109-L111 HydrophobicContact CE1-CD2 3.44Å; Y109-L111 VanDerWaalsContact CE1-CD2 3.44Å; Y109-L111 HydrophobicContact CE1-CG 3.56Å; Y109-W126 AromaticContact CD1-CH2 3.93Å; Y109-W126 HydrophobicContact CD1-CH2 3.93Å; Y109-W126 HydrophobicContact CD1-CZ2 4.45Å; Y109-W126 HydrophobicContact CD2-CH2 4.33Å; Y109-W126 HydrophobicContact CD2-CZ2 4.11Å; Y109-W126 AromaticContact CG-CH2 3.71Å; Y109-W126 HydrophobicContact CG-CH2 3.71Å; Y109-W126 AromaticContact CG-CZ2 3.77Å; Y109-W126 HydrophobicContact CG-CZ2 3.77Å
110S98.5Very high97.8Very high59 Ų5963.9 Ų63.941%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-111.9130.2176.1-160.30000111A51 T52A51-S110 CarbonylContact O-C 3.58Å; A51-S110 WeakPolarHBondContact O-CA 3.44Å; T52-S110 WeakPolarHBondContact OG1-CB 3.19Å; T52-S110 PolarHBondContact OG1-OG 2.91Å
111L97.5Very high97.7Very high32 Ų3265.1 Ų65.117%0.16837%0.372CS..EExtended strand (participates in β ladder)trans-126.5134.3-177.8-77.1166.5000111N50 A51 F81 L83 Y109 V113 W126N50-L111 CarbonylContact C-O 3.49Å; N50-L111 VanDerWaalsContact CA-O 3.31Å; N50-L111 WeakPolarHBondContact CA-O 3.37Å; A51-L111 PolarHBondContact N-O 3.31Å; A51-L111 PolarHBondContact O-N 3.37Å; F81-L111 HydrophobicContact CE1-CD1 4.09Å; F81-L111 HydrophobicContact CE1-CD2 4.19Å; L83-L111 HydrophobicContact CD2-CD1 3.87Å; L83-L111 HydrophobicContact CD2-CD2 3.87Å; L83-L111 HydrophobicContact CD2-CG 4.4Å; Y109-L111 HydrophobicContact CD1-CD1 4.22Å; Y109-L111 HydrophobicContact CD1-CD2 4.11Å; Y109-L111 HydrophobicContact CD1-CG 3.67Å; Y109-L111 HydrophobicContact CE1-CD1 4.29Å; Y109-L111 HydrophobicContact CE1-CD2 3.44Å; Y109-L111 VanDerWaalsContact CE1-CD2 3.44Å; Y109-L111 HydrophobicContact CE1-CG 3.56Å; L111-V113 PolarHBondContact O-N 3.01Å; L111-W126 HydrophobicContact CD1-CH2 4.06Å; L111-W126 HydrophobicContact CD1-CZ3 3.94Å
112Y98.1Very high97.7Very high128 Ų12861 Ų6150%0.50234%0.341SS..EExtended strand (participates in β ladder)trans-78119.2170-171.8-102000110.9G48 N50 K114G48-Y112 VanDerWaalsContact C-CZ 3.48Å; G48-Y112 WeakPolarHBondContact CA-OH 3.45Å; G48-Y112 WeakPolarHBondContact O-CE2 3.42Å; G48-Y112 PolarHBondContact O-OH 3.42Å; G48-Y112 VanDerWaalsContact O-OH 3.13Å; N50-Y112 WeakPolarHBondContact OD1-CA 3.01Å; N50-Y112 VanDerWaalsContact OD1-CB 3.31Å; N50-Y112 WeakPolarHBondContact OD1-CB 3.15Å; N50-Y112 WeakPolarHBondContact OD1-CD2 3.47Å; N50-Y112 PolarHBondContact OD1-N 2.84Å; Y112-K114 HydrophobicContact CD1-CG 4.34Å; Y112-K114 PolarHBondContact O-N 2.84Å
113V97.9Very high97.8Very high10 Ų1059 Ų596%0.06133%0.332CS..  trans-78.6104.2176.6-173.50000108.2L45 Y46 K47 G48 Q49 A51 L111 A115 Y117 L145L45-V113 HydrophobicContact CB-CG2 4.06Å; Y46-V113 WeakPolarHBondContact O-CB 3.37Å; K47-V113 HydrophobicContact CG-CG1 4.11Å; G48-V113 PolarHBondContact N-O 3.37Å; Q49-V113 PolarHBondContact O-N 2.82Å; A51-V113 HydrophobicContact CB-CG2 4.15Å; L111-V113 PolarHBondContact O-N 3.01Å; V113-A115 PolarHBondContact O-N 2.81Å; V113-Y117 HydrophobicContact CG1-CD2 4.07Å; V113-L145 HydrophobicContact CG1-CD2 4.14Å
114K97.7Very high98Very high101 Ų10158.8 Ų58.844%0.43933%0.325SS..  trans-64.4139.6-173.5-60-177.8-176.1170.60111.5Y112 M116 Y117Y112-K114 HydrophobicContact CD1-CG 4.34Å; Y112-K114 PolarHBondContact O-N 2.84Å; K114-M116 HydrophobicContact CB-CG 3.91Å; K114-M116 HydrophobicContact CD-SD 4.42Å; K114-M116 PolarHBondContact O-N 2.85Å; K114-M116 VanDerWaalsContact O-N 3.12Å; K114-Y117 HydrophobicContact CB-CD1 4.03Å; K114-Y117 HydrophobicContact CB-CD2 4.07Å; K114-Y117 HydrophobicContact CB-CE1 3.83Å; K114-Y117 HydrophobicContact CB-CE2 3.88Å; K114-Y117 HydrophobicContact CB-CG 4.14Å; K114-Y117 HydrophobicContact CD-CE1 3.85Å; K114-Y117 WeakPolarHBondContact CD-OH 3.43Å; K114-Y117 HydrophobicContact CG-CE1 4.08Å; K114-Y117 HydrophobicContact CG-CE2 4.03Å; K114-Y117 WeakPolarHBondContact O-CB 3.36Å; K114-Y117 PolarHBondContact O-N 3.38Å
115A97.8Very high98Very high74 Ų7456.7 Ų56.761%0.61231%0.314SS*.THydrogen-bonded Turntrans-57.4-28.4177.300000114V113 Y117V113-A115 PolarHBondContact O-N 2.81Å; A115-Y117 VanDerWaalsContact C-N 3.31Å; A115-Y117 PolarHBondContact O-N 3.24Å
116M97.6Very high98Very high160 Ų16056.8 Ų56.879%0.78831%0.314SS*.THydrogen-bonded Turntrans-75-12.2177.964.2-178-85.700114.6K114K114-M116 HydrophobicContact CB-CG 3.91Å; K114-M116 HydrophobicContact CD-SD 4.42Å; K114-M116 PolarHBondContact O-N 2.85Å; K114-M116 VanDerWaalsContact O-N 3.12Å
117Y96.5Very high98Very high48 Ų4855.3 Ų55.319%0.18831%0.305CS..SBendtrans-66.2144.4-179.5-66.4-19.3000111.1K47 F81 V113 K114 A115K47-Y117 WeakPolarHBondContact CD-O 3.41Å; K47-Y117 WeakPolarHBondContact CE-O 3.34Å; K47-Y117 PolarHBondContact NZ-O 2.86Å; F81-Y117 HydrophobicContact CE2-CE2 4.47Å; F81-Y117 WeakPolarHBondContact CE2-OH 3.26Å; V113-Y117 HydrophobicContact CG1-CD2 4.07Å; K114-Y117 HydrophobicContact CB-CD1 4.03Å; K114-Y117 HydrophobicContact CB-CD2 4.07Å; K114-Y117 HydrophobicContact CB-CE1 3.83Å; K114-Y117 HydrophobicContact CB-CE2 3.88Å; K114-Y117 HydrophobicContact CB-CG 4.14Å; K114-Y117 HydrophobicContact CD-CE1 3.85Å; K114-Y117 WeakPolarHBondContact CD-OH 3.43Å; K114-Y117 HydrophobicContact CG-CE1 4.08Å; K114-Y117 HydrophobicContact CG-CE2 4.03Å; K114-Y117 WeakPolarHBondContact O-CB 3.36Å; K114-Y117 PolarHBondContact O-N 3.38Å; A115-Y117 VanDerWaalsContact C-N 3.31Å; A115-Y117 PolarHBondContact O-N 3.24Å
118P96.5Very high98Very high86 Ų8655.3 Ų55.356%0.55831%0.305SS*.  trans-66146.6177.828.2-34.4000110.7I120P118-I120 HydrophobicContact CG-CG2 4.39Å; P118-I120 PolarHBondContact O-N 3.06Å
119S98.3Very high98Very high81 Ų8153.3 Ų53.357%0.56629%0.291SS*.  trans-76.7109.2168.1-60.90000108.3K47 L145 I146K47-S119 VanDerWaalsContact CE-OG 3.32Å; K47-S119 WeakPolarHBondContact CE-OG 3.14Å; K47-S119 VanDerWaalsContact NZ-N 3.16Å; K47-S119 PolarHBondContact NZ-OG 2.93Å; S119-L145 CarbonylContact C-O 3.59Å; S119-L145 WeakPolarHBondContact CA-O 3.28Å; S119-L145 WeakPolarHBondContact CB-O 3.32Å; S119-I146 PolarHBondContact OG-OXT 2.91Å
120I97.5Very high98Very high64 Ų6453.6 Ų53.633%0.32829%0.293SS..EExtended strand (participates in β ladder)trans-151.3153.3-174.3-161.4171.3000110.5I74 P118 L122 L145I74-I120 HydrophobicContact CD1-CD1 4.45Å; I74-I120 HydrophobicContact CG2-CD1 4.16Å; P118-I120 HydrophobicContact CG-CG2 4.39Å; P118-I120 PolarHBondContact O-N 3.06Å; I120-L122 HydrophobicContact CG2-CD2 4.11Å; I120-L145 HydrophobicContact CG2-CD1 4.48Å; I120-L145 PolarHBondContact N-O 3.34Å; I120-L145 PolarHBondContact O-N 3.07Å
121S97.3Very high97.9Very high77 Ų7754.6 Ų54.654%0.53830%0.3SS..EExtended strand (participates in β ladder)trans-90.6132.7166.1-57.50000109.5V143S121-V143 WeakPolarHBondContact CA-O 3.38Å
122L98Very high97.9Very high27 Ų2756.9 Ų56.914%0.14132%0.319CS..EExtended strand (participates in β ladder)trans-148.5164.6179.270.1164.7000110.1I74 I120 P142 V143 L145I74-L122 HydrophobicContact CG1-CB 3.87Å; I120-L122 HydrophobicContact CG2-CD2 4.11Å; L122-P142 WeakPolarHBondContact O-CA 3.21Å; L122-V143 HydrophobicContact CD2-CG2 3.54Å; L122-V143 HydrophobicContact CG-CG2 3.95Å; L122-V143 PolarHBondContact N-O 3.15Å; L122-V143 PolarHBondContact O-N 3.2Å; L122-V143 VanDerWaalsContact O-O 3.11Å; L122-L145 HydrophobicContact CD2-CD1 4.15Å; L122-L145 HydrophobicContact CD2-CD2 4.44Å; L122-L145 HydrophobicContact CD2-CG 3.77Å
123T98.2Very high97.8Very high41 Ų4155.7 Ų55.725%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-99.9126.8166.9-64.90000108.2V73 E140 F141V73-T123 PolarHBondContact N-O 2.86Å; V73-T123 PolarHBondContact O-N 2.83Å; V73-T123 VanDerWaalsContact O-N 3.14Å; T123-E140 HydrophobicContact CG2-CB 3.72Å; T123-E140 HydrophobicContact CG2-CG 3.84Å; T123-F141 WeakPolarHBondContact CA-O 3.31Å
124I98.4Very high97.9Very high22 Ų2259.9 Ų59.911%0.11334%0.34CS..EExtended strand (participates in β ladder)trans-82.4128.3167.8-66.2176.4000107L45 V70 W126 E140 F141 V143L45-I124 HydrophobicContact CD1-CD1 4.06Å; V70-I124 HydrophobicContact CG1-CG2 4.24Å; I124-W126 HydrophobicContact CG2-CB 4.45Å; I124-W126 HydrophobicContact CG2-CE3 4.27Å; I124-E140 CarbonylContact O-C 3.53Å; I124-E140 WeakPolarHBondContact O-CA 3.41Å; I124-F141 HydrophobicContact CB-CD1 4.4Å; I124-F141 HydrophobicContact CB-CD2 4.39Å; I124-F141 HydrophobicContact CB-CE1 3.93Å; I124-F141 HydrophobicContact CB-CE2 3.93Å; I124-F141 HydrophobicContact CB-CZ 3.68Å; I124-F141 HydrophobicContact CD1-CE2 3.82Å; I124-F141 HydrophobicContact CD1-CZ 3.96Å; I124-F141 HydrophobicContact CG1-CE2 4.34Å; I124-F141 HydrophobicContact CG1-CZ 4.4Å; I124-F141 HydrophobicContact CG2-CE1 3.73Å; I124-F141 HydrophobicContact CG2-CE2 4.33Å; I124-F141 HydrophobicContact CG2-CZ 3.58Å; I124-F141 PolarHBondContact N-O 3.01Å; I124-F141 PolarHBondContact O-N 3.16Å; I124-V143 HydrophobicContact CD1-CB 4.48Å; I124-V143 HydrophobicContact CD1-CG1 3.91Å; I124-V143 HydrophobicContact CD1-CG2 3.76Å; I124-V143 HydrophobicContact CG1-CG1 4.37Å; I124-V143 HydrophobicContact CG1-CG2 3.84Å
125R98.8Very high97.9Very high64 Ų6456.2 Ų56.224%0.24233%0.325CS..EExtended strand (participates in β ladder)trans-100.5122161.6178.5-179.3-61.5176.1-1.3107.6V70 H71 V73 E127 V139 E140V70-R125 WeakPolarHBondContact CA-O 3.45Å; H71-R125 HydrophobicContact CB-CB 4.2Å; H71-R125 PolarHBondContact N-O 2.04Å; H71-R125 PolarHBondContact O-N 2.95Å; V73-R125 HydrophobicContact CG2-CB 4.21Å; R125-E127 VanDerWaalsContact CD-CD 3.49Å; R125-E127 WeakPolarHBondContact CD-OE2 3Å; R125-E127 HydrophobicContact CG-CG 3.93Å; R125-V139 WeakPolarHBondContact CA-O 3.42Å; R125-E140 HydrophobicContact CB-CG 3.71Å; R125-E140 HydrophobicContact CG-CG 4.01Å; R125-E140 IonicContact CZ-OE1 2.61Å; R125-E140 IonicContact NE-OE1 2.82Å; R125-E140 PolarHBondContact NE-OE1 2.81Å; R125-E140 IonicContact NH2-OE1 3.08Å; R125-E140 PolarHBondContact NH2-OE1 3.42Å
126W98.8Very high97.9Very high2 Ų252.7 Ų52.71%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-118.9119.7179.6-165.3-76.5000109I53 I55 I68 V70 L83 H107 Y109 L111 I124 V139 F141I53-W126 HydrophobicContact CD1-CE3 4.4Å; I53-W126 HydrophobicContact CD1-CH2 4.26Å; I53-W126 HydrophobicContact CD1-CZ3 3.84Å; I53-W126 HydrophobicContact CG1-CE3 4.31Å; I53-W126 HydrophobicContact CG1-CZ3 4.23Å; I53-W126 HydrophobicContact CG2-CD2 4.47Å; I55-W126 HydrophobicContact CD1-CB 4.45Å; I55-W126 VanDerWaalsContact CD1-CD1 3.43Å; I55-W126 HydrophobicContact CD1-CG 4.02Å; I68-W126 HydrophobicContact CG2-CZ2 3.65Å; V70-W126 HydrophobicContact CB-CE3 4.41Å; V70-W126 HydrophobicContact CG1-CE3 3.95Å; V70-W126 HydrophobicContact CG1-CZ3 4.15Å; V70-W126 HydrophobicContact CG2-CD2 3.87Å; V70-W126 HydrophobicContact CG2-CE3 3.52Å; V70-W126 HydrophobicContact CG2-CH2 3.95Å; V70-W126 HydrophobicContact CG2-CZ2 4.27Å; V70-W126 HydrophobicContact CG2-CZ3 3.57Å; L83-W126 HydrophobicContact CD2-CH2 4.47Å; H107-W126 AromaticContact CD2-NE1 3.37Å; H107-W126 PolarHBondContact CD2-NE1 2.81Å; H107-W126 AromaticContact NE2-CE2 3.44Å; H107-W126 AromaticContact NE2-CZ2 3.38Å; H107-W126 WeakPolarHBondContact NE2-CZ2 3.45Å; H107-W126 AromaticContact NE2-NE1 3.01Å; H107-W126 PolarHBondContact NE2-NE1 2.71Å; Y109-W126 AromaticContact CD1-CH2 3.93Å; Y109-W126 HydrophobicContact CD1-CH2 3.93Å; Y109-W126 HydrophobicContact CD1-CZ2 4.45Å; Y109-W126 HydrophobicContact CD2-CH2 4.33Å; Y109-W126 HydrophobicContact CD2-CZ2 4.11Å; Y109-W126 AromaticContact CG-CH2 3.71Å; Y109-W126 HydrophobicContact CG-CH2 3.71Å; Y109-W126 AromaticContact CG-CZ2 3.77Å; Y109-W126 HydrophobicContact CG-CZ2 3.77Å; L111-W126 HydrophobicContact CD1-CH2 4.06Å; L111-W126 HydrophobicContact CD1-CZ3 3.94Å; I124-W126 HydrophobicContact CG2-CB 4.45Å; I124-W126 HydrophobicContact CG2-CE3 4.27Å; W126-V139 HydrophobicContact CB-CG1 3.97Å; W126-V139 PolarHBondContact N-O 2.79Å; W126-V139 PolarHBondContact O-N 3.15Å; W126-F141 HydrophobicContact CB-CE1 4.28Å
127E98.8Very high98Very high14 Ų1445.1 Ų45.17%0.06526%0.259CS..EExtended strand (participates in β ladder)trans-120.3122.1-171.2-70.6152.5117.600108.7I68 S69 H71 R125 Q129 V137 C138I68-E127 WeakPolarHBondContact CA-O 3.33Å; S69-E127 PolarHBondContact N-O 3.35Å; S69-E127 PolarHBondContact O-N 3.32Å; H71-E127 IonicContact CE1-OE2 2.73Å; H71-E127 PolarHBondContact CE1-OE2 3.39Å; H71-E127 IonicContact CG-OE2 2.82Å; H71-E127 IonicContact ND1-OE2 3.2Å; H71-E127 PolarHBondContact ND1-OE2 2.77Å; R125-E127 VanDerWaalsContact CD-CD 3.49Å; R125-E127 WeakPolarHBondContact CD-OE2 3Å; R125-E127 HydrophobicContact CG-CG 3.93Å; E127-Q129 HydrophobicContact CB-CG 4.15Å; E127-V137 WeakPolarHBondContact CA-O 2.93Å; E127-C138 HydrophobicContact CG-CB 4.31Å
128L98.9Very high98.1Very high0 Ų042.9 Ų42.90%025%0.25CS..EExtended strand (participates in β ladder)trans-98110.2168.2-49.9-176.2000106.6F57 I68 L88 H107 I136 V137F57-L128 HydrophobicContact CD1-CD1 4Å; F57-L128 HydrophobicContact CE1-CD1 3.65Å; F57-L128 HydrophobicContact CZ-CD1 3.93Å; I68-L128 HydrophobicContact CG1-CD2 4.24Å; I68-L128 HydrophobicContact CG2-CD2 4.45Å; L88-L128 HydrophobicContact CD1-CB 3.99Å; L88-L128 HydrophobicContact CD1-CD1 4.31Å; L88-L128 HydrophobicContact CD1-CD2 3.74Å; L88-L128 HydrophobicContact CD1-CG 4.21Å; L88-L128 HydrophobicContact CD2-CB 4.48Å; H107-L128 HydrophobicContact CB-CD1 3.9Å; H107-L128 HydrophobicContact CB-CD2 4.48Å; L128-I136 WeakPolarHBondContact O-CA 3.38Å; L128-I136 VanDerWaalsContact O-CB 3.24Å; L128-I136 WeakPolarHBondContact O-CB 3.32Å; L128-I136 WeakPolarHBondContact O-CG1 3.42Å; L128-I136 PolarHBondContact O-N 3.36Å; L128-V137 HydrophobicContact CB-CB 4.43Å; L128-V137 HydrophobicContact CD1-CB 4.3Å; L128-V137 HydrophobicContact CG-CB 4.4Å; L128-V137 PolarHBondContact N-O 2.88Å; L128-V137 PolarHBondContact O-N 3.31Å
129Q98.8Very high98.2Very high18 Ų1838.8 Ų38.88%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-112.1146.9-171.3-68.8-178.6-18.200111.2G66 H67 E127 E134 D135G66-Q129 CarbonylContact C-O 3.45Å; G66-Q129 WeakPolarHBondContact CA-O 3.46Å; H67-Q129 PolarHBondContact CE1-OE1 2.79Å; H67-Q129 PolarHBondContact N-O 3.06Å; H67-Q129 PolarHBondContact NE2-OE1 2.85Å; H67-Q129 PolarHBondContact O-N 3.25Å; E127-Q129 HydrophobicContact CB-CG 4.15Å; Q129-E134 VanDerWaalsContact CA-O 3.29Å; Q129-E134 WeakPolarHBondContact CA-O 3.33Å; Q129-D135 WeakPolarHBondContact CG-OD1 3.23Å; Q129-D135 PolarHBondContact NE2-OD1 2.76Å
130D98.3Very high98.2Very high18 Ų1835.1 Ų35.110%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-76.6-170.8168.872.43.7000111.6F27 V63 H67 S132 N133 E134 I136F27-D130 HydrophobicContact CZ-CB 4.17Å; V63-D130 HydrophobicContact CG1-CB 4.17Å; H67-D130 PolarHBondContact CE1-O 3.41Å; H67-D130 PolarHBondContact ND1-O 2.81Å; D130-S132 PolarHBondContact O-N 3.35Å; D130-S132 VanDerWaalsContact OD1-CA 3.32Å; D130-S132 WeakPolarHBondContact OD1-CA 3.41Å; D130-S132 WeakPolarHBondContact OD1-CB 3.14Å; D130-S132 PolarHBondContact OD1-N 3.33Å; D130-N133 PolarHBondContact O-N 3.01Å; D130-N133 PolarHBondContact OD1-N 2.94Å; D130-N133 VanDerWaalsContact OD1-N 3.07Å; D130-E134 PolarHBondContact N-O 2.03Å; D130-E134 PolarHBondContact OD1-N 2.93Å; D130-I136 HydrophobicContact CB-CD1 4.44Å; D130-I136 HydrophobicContact CB-CG1 4.3Å
131S97Very high98.2Very high79 Ų7932.2 Ų32.255%0.55218%0.183SC*.THydrogen-bonded Turntrans-72.4-12.8177.957.30000114.5D65D65-S131 WeakPolarHBondContact OD1-CB 3.38Å
132S97.1Very high98.2Very high80 Ų8031 Ų3156%0.55917%0.173SC*.THydrogen-bonded Turntrans-92.6-0.2174.3-55.60000112.6D130 E134D130-S132 PolarHBondContact O-N 3.35Å; D130-S132 VanDerWaalsContact OD1-CA 3.32Å; D130-S132 WeakPolarHBondContact OD1-CA 3.41Å; D130-S132 WeakPolarHBondContact OD1-CB 3.14Å; D130-S132 PolarHBondContact OD1-N 3.33Å; S132-E134 VanDerWaalsContact C-N 3.27Å
133N96.6Very high98.2Very high103 Ų10329.8 Ų29.855%0.55117%0.166SC*.  trans65.725.5-171.6-40.2-87.2000113.4H67 D130H67-N133 PolarHBondContact CE1-OD1 2.82Å; H67-N133 PolarHBondContact NE2-OD1 2.9Å; D130-N133 PolarHBondContact O-N 3.01Å; D130-N133 PolarHBondContact OD1-N 2.94Å; D130-N133 VanDerWaalsContact OD1-N 3.07Å
134E98.2Very high98.2Very high98 Ų9830.3 Ų30.346%0.45817%0.166SC..  trans-86.5135.4169.7-65.4-159.49000110.2F27 Q129 D130 S132 I136F27-E134 HydrophobicContact CE1-CB 4.12Å; Q129-E134 VanDerWaalsContact CA-O 3.29Å; Q129-E134 WeakPolarHBondContact CA-O 3.33Å; D130-E134 PolarHBondContact N-O 2.03Å; D130-E134 PolarHBondContact OD1-N 2.93Å; S132-E134 VanDerWaalsContact C-N 3.27Å; E134-I136 PolarHBondContact O-N 3.01Å
135D98.5Very high98.2Very high25 Ų2530.5 Ų30.513%0.13417%0.167CC..EExtended strand (participates in β ladder)trans-68.6105.7179.8-65.3-27.1000110.5K26 Q129 V137 C138K26-D135 VanDerWaalsContact CB-O 3.29Å; K26-D135 WeakPolarHBondContact CB-O 3.23Å; K26-D135 PolarHBondContact N-O 3.21Å; Q129-D135 WeakPolarHBondContact CG-OD1 3.23Å; Q129-D135 PolarHBondContact NE2-OD1 2.76Å; D135-V137 VanDerWaalsContact C-N 3.32Å; D135-C138 HydrophobicContact CB-CB 4.12Å
136I98.7Very high98.1Very high0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-58.3-55.3163.1-48.6164.2000106.8F27 G28 F57 V63 L88 L98 L128 D130 E134F27-I136 HydrophobicContact CD2-CG2 4.12Å; F27-I136 HydrophobicContact CE2-CB 3.96Å; F27-I136 HydrophobicContact CE2-CG1 3.58Å; F27-I136 HydrophobicContact CE2-CG2 3.81Å; F27-I136 HydrophobicContact CZ-CB 4.22Å; F27-I136 HydrophobicContact CZ-CG1 3.59Å; G28-I136 WeakPolarHBondContact CA-O 3.41Å; G28-I136 PolarHBondContact N-O 3.41Å; F57-I136 HydrophobicContact CD2-CG2 4.42Å; F57-I136 HydrophobicContact CE2-CG2 4.08Å; V63-I136 HydrophobicContact CB-CD1 4.43Å; V63-I136 HydrophobicContact CG1-CD1 3.94Å; V63-I136 HydrophobicContact CG2-CD1 3.95Å; V63-I136 HydrophobicContact CG2-CG1 4.24Å; L88-I136 HydrophobicContact CD2-CD1 3.61Å; L98-I136 HydrophobicContact CD1-CD1 4.27Å; L128-I136 WeakPolarHBondContact O-CA 3.38Å; L128-I136 VanDerWaalsContact O-CB 3.24Å; L128-I136 WeakPolarHBondContact O-CB 3.32Å; L128-I136 WeakPolarHBondContact O-CG1 3.42Å; L128-I136 PolarHBondContact O-N 3.36Å; D130-I136 HydrophobicContact CB-CD1 4.44Å; D130-I136 HydrophobicContact CB-CG1 4.3Å; E134-I136 PolarHBondContact O-N 3.01Å
137V98.8Very high98.1Very high0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-133.9133.5174.6171.40000109.4S25 L30 I55 F57 E127 L128 D135S25-V137 WeakPolarHBondContact OG-CA 3.43Å; L30-V137 HydrophobicContact CB-CG1 4.41Å; L30-V137 HydrophobicContact CD1-CG1 4.09Å; I55-V137 HydrophobicContact CG2-CG1 4.38Å; F57-V137 HydrophobicContact CB-CG2 3.72Å; F57-V137 HydrophobicContact CD2-CG2 3.7Å; F57-V137 HydrophobicContact CG-CG2 3.84Å; E127-V137 WeakPolarHBondContact CA-O 2.93Å; L128-V137 HydrophobicContact CB-CB 4.43Å; L128-V137 HydrophobicContact CD1-CB 4.3Å; L128-V137 HydrophobicContact CG-CB 4.4Å; L128-V137 PolarHBondContact N-O 2.88Å; L128-V137 PolarHBondContact O-N 3.31Å; D135-V137 VanDerWaalsContact C-N 3.32Å
138C98.8Very high98Very high1 Ų133.9 Ų33.91%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-122.3120.9169.2-173.10000108.4D22 C23 S25 E127 D135D22-C138 WeakPolarHBondContact CA-O 3.32Å; C23-C138 VanDerWaalsContact C-SG 3.6Å; C23-C138 HydrophobicContact CB-CB 4.19Å; C23-C138 WeakPolarHBondContact CB-SG 2.99Å; C23-C138 PolarHBondContact N-O 2.84Å; C23-C138 VanDerWaalsContact SG-CA 3.59Å; C23-C138 WeakPolarHBondContact SG-CB 3.48Å; C23-C138 PolarHBondContact SG-O 2.92Å; C23-C138 VanDerWaalsContact SG-O 3.41Å; C23-C138 CovalentContact SG-SG 2.04Å; C23-C138 PolarHBondContact SG-SG 3.45Å; S25-C138 PolarHBondContact OG-N 2.98Å; S25-C138 PolarHBondContact OG-O 2.76Å; E127-C138 HydrophobicContact CG-CB 4.31Å; D135-C138 HydrophobicContact CB-CB 4.12Å
139V98.7Very high98Very high0 Ų035.8 Ų35.80%020%0.201CC..EExtended strand (participates in β ladder)trans-126.6138.4174.365.10000111.8F20 R21 C23 L30 L33 I55 R125 W126F20-V139 HydrophobicContact CB-CG2 3.8Å; F20-V139 HydrophobicContact CD2-CG2 3.84Å; F20-V139 HydrophobicContact CG-CG2 4.14Å; R21-V139 CarbonylContact O-C 3.47Å; R21-V139 WeakPolarHBondContact O-CA 3.16Å; C23-V139 VanDerWaalsContact SG-C 3.51Å; C23-V139 PolarHBondContact SG-N 2.82Å; L30-V139 HydrophobicContact CD2-CB 3.91Å; L30-V139 HydrophobicContact CD2-CG2 3.67Å; L33-V139 HydrophobicContact CD1-CG1 4.28Å; L33-V139 HydrophobicContact CD2-CG2 4.24Å; I55-V139 HydrophobicContact CD1-CG1 3.64Å; I55-V139 HydrophobicContact CG1-CG1 4.36Å; R125-V139 WeakPolarHBondContact CA-O 3.42Å; W126-V139 HydrophobicContact CB-CG1 3.97Å; W126-V139 PolarHBondContact N-O 2.79Å; W126-V139 PolarHBondContact O-N 3.15Å
140E98.4Very high97.9Very high5 Ų536.8 Ų36.82%0.02321%0.208CC..EExtended strand (participates in β ladder)trans-116.8136.8172-87.5-176.5-164.700111.9F20 R21 C23 T123 I124 R125F20-E140 CarbonylContact C-O 3.27Å; F20-E140 WeakPolarHBondContact CA-O 3.21Å; R21-E140 HydrophobicContact CG-CB 3.74Å; R21-E140 IonicContact CZ-OE2 2.78Å; R21-E140 PolarHBondContact N-O 2.92Å; R21-E140 IonicContact NE-OE2 3.87Å; R21-E140 PolarHBondContact NE-OE2 2.87Å; R21-E140 IonicContact NH2-OE1 3.37Å; R21-E140 IonicContact NH2-OE2 3.99Å; R21-E140 PolarHBondContact NH2-OE2 3.34Å; R21-E140 PolarHBondContact O-N 2.85Å; C23-E140 HydrophobicContact CB-CB 4.4Å; C23-E140 HydrophobicContact CB-CG 3.94Å; T123-E140 HydrophobicContact CG2-CB 3.72Å; T123-E140 HydrophobicContact CG2-CG 3.84Å; I124-E140 CarbonylContact O-C 3.53Å; I124-E140 WeakPolarHBondContact O-CA 3.41Å; R125-E140 HydrophobicContact CB-CG 3.71Å; R125-E140 HydrophobicContact CG-CG 4.01Å; R125-E140 IonicContact CZ-OE1 2.61Å; R125-E140 IonicContact NE-OE1 2.82Å; R125-E140 PolarHBondContact NE-OE1 2.81Å; R125-E140 IonicContact NH2-OE1 3.08Å; R125-E140 PolarHBondContact NH2-OE1 3.42Å
141F97.8Very high97.9Very high3 Ų338 Ų381%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-148.6139.817856.4-81.7000111.6F20 L33 V35 I53 T123 I124 W126 V143F20-F141 HydrophobicContact CB-CB 3.93Å; L33-F141 HydrophobicContact CD1-CD1 4.27Å; L33-F141 HydrophobicContact CD1-CE1 4.1Å; L33-F141 HydrophobicContact CD2-CB 3.6Å; L33-F141 HydrophobicContact CD2-CD1 3.35Å; L33-F141 HydrophobicContact CD2-CD2 4.08Å; L33-F141 HydrophobicContact CD2-CE1 3.97Å; L33-F141 HydrophobicContact CD2-CG 3.41Å; L33-F141 VanDerWaalsContact CD2-CG 3.41Å; L33-F141 HydrophobicContact CG-CD1 4.45Å; V35-F141 HydrophobicContact CG2-CD2 3.8Å; V35-F141 HydrophobicContact CG2-CE2 3.52Å; V35-F141 HydrophobicContact CG2-CZ 4.18Å; I53-F141 HydrophobicContact CG1-CZ 4.04Å; I53-F141 HydrophobicContact CG2-CZ 4.49Å; T123-F141 WeakPolarHBondContact CA-O 3.31Å; I124-F141 HydrophobicContact CB-CD1 4.4Å; I124-F141 HydrophobicContact CB-CD2 4.39Å; I124-F141 HydrophobicContact CB-CE1 3.93Å; I124-F141 HydrophobicContact CB-CE2 3.93Å; I124-F141 HydrophobicContact CB-CZ 3.68Å; I124-F141 HydrophobicContact CD1-CE2 3.82Å; I124-F141 HydrophobicContact CD1-CZ 3.96Å; I124-F141 HydrophobicContact CG1-CE2 4.34Å; I124-F141 HydrophobicContact CG1-CZ 4.4Å; I124-F141 HydrophobicContact CG2-CE1 3.73Å; I124-F141 HydrophobicContact CG2-CE2 4.33Å; I124-F141 HydrophobicContact CG2-CZ 3.58Å; I124-F141 PolarHBondContact N-O 3.01Å; I124-F141 PolarHBondContact O-N 3.16Å; W126-F141 HydrophobicContact CB-CE1 4.28Å; F141-V143 HydrophobicContact CD2-CG1 3.61Å; F141-V143 HydrophobicContact CE2-CG1 3.66Å
142P97.1Very high98Very high51 Ų5135.3 Ų35.333%0.33119%0.193SC..EExtended strand (participates in β ladder)trans-78.1139.8-179.833.2-34.3000111.1P19 P42 L122P19-P142 WeakPolarHBondContact O-CD 3.34Å; P42-P142 HydrophobicContact CB-CB 3.92Å; P42-P142 HydrophobicContact CB-CG 4.12Å; P42-P142 WeakPolarHBondContact CB-O 3.48Å; P42-P142 HydrophobicContact CG-CB 4.16Å; P42-P142 HydrophobicContact CG-CG 4.39Å; L122-P142 WeakPolarHBondContact O-CA 3.21Å
143V97.8Very high98Very high1 Ų132.1 Ų32.11%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-136.9164.1174.1-55.70000111.1C43 L45 S121 L122 I124 F141C43-V143 HydrophobicContact CB-CG1 4.42Å; C43-V143 CarbonylContact O-C 3.44Å; C43-V143 WeakPolarHBondContact O-CA 3.24Å; L45-V143 HydrophobicContact CD1-CB 4.07Å; L45-V143 HydrophobicContact CD1-CG1 4.09Å; L45-V143 HydrophobicContact CD1-CG2 4.06Å; L45-V143 HydrophobicContact CG-CB 4.15Å; L45-V143 HydrophobicContact CG-CG1 4.34Å; S121-V143 WeakPolarHBondContact CA-O 3.38Å; L122-V143 HydrophobicContact CD2-CG2 3.54Å; L122-V143 HydrophobicContact CG-CG2 3.95Å; L122-V143 PolarHBondContact N-O 3.15Å; L122-V143 PolarHBondContact O-N 3.2Å; L122-V143 VanDerWaalsContact O-O 3.11Å; I124-V143 HydrophobicContact CD1-CB 4.48Å; I124-V143 HydrophobicContact CD1-CG1 3.91Å; I124-V143 HydrophobicContact CD1-CG2 3.76Å; I124-V143 HydrophobicContact CG1-CG1 4.37Å; I124-V143 HydrophobicContact CG1-CG2 3.84Å; F141-V143 HydrophobicContact CD2-CG1 3.61Å; F141-V143 HydrophobicContact CE2-CG1 3.66Å
144Q98Very high98.1Very high52 Ų5226.6 Ų26.624%0.24314%0.137CC..EExtended strand (participates in β ladder)trans-123.2118.4170-63.3-176.7-5.100109.1P42 C43 A44 L45P42-Q144 HydrophobicContact CB-CG 4.31Å; C43-Q144 PolarHBondContact O-N 3.08Å; A44-Q144 WeakPolarHBondContact CA-O 3.31Å; L45-Q144 PolarHBondContact N-O 3.3Å
145L98.1Very high98.1Very high27 Ų2720.7 Ų20.714%0.14111%0.11CC..EExtended strand (participates in β ladder)trans-77.1122.7168.3-57.3-175.9000108.1L45 V113 S119 I120 L122L45-L145 HydrophobicContact CB-CD2 3.91Å; L45-L145 HydrophobicContact CD1-CD2 4.08Å; L45-L145 HydrophobicContact CG-CD2 4.47Å; L45-L145 WeakPolarHBondContact O-CA 3.48Å; V113-L145 HydrophobicContact CG1-CD2 4.14Å; S119-L145 CarbonylContact C-O 3.59Å; S119-L145 WeakPolarHBondContact CA-O 3.28Å; S119-L145 WeakPolarHBondContact CB-O 3.32Å; I120-L145 HydrophobicContact CG2-CD1 4.48Å; I120-L145 PolarHBondContact N-O 3.34Å; I120-L145 PolarHBondContact O-N 3.07Å; L122-L145 HydrophobicContact CD2-CD1 4.15Å; L122-L145 HydrophobicContact CD2-CD2 4.44Å; L122-L145 HydrophobicContact CD2-CG 3.77Å
146I97Very high98.1Very high83 Ų8320.3 Ų20.343%0.42611%0.108SC..  trans-1300-179.8179.3163.3000111.5A44 L45 Y46 K47 S119A44-I146 HydrophobicContact CB-CG2 3.99Å; L45-I146 PolarHBondContact O-N 2.96Å; Y46-I146 CarbonylContact C-O 3.5Å; Y46-I146 WeakPolarHBondContact CA-O 3.34Å; Y46-I146 HydrophobicContact CD1-CG2 3.56Å; Y46-I146 HydrophobicContact CE1-CG2 3.66Å; Y46-I146 HydrophobicContact CG-CG2 4.39Å; K47-I146 WeakPolarHBondContact CD-OXT 3.11Å; K47-I146 WeakPolarHBondContact CE-OXT 3.21Å; K47-I146 WeakPolarHBondContact CG-O 3.39Å; K47-I146 PolarHBondContact N-O 2.81Å; S119-I146 PolarHBondContact OG-OXT 2.91Å

Retrieved 146 of 146 residues in 33.5 ms (Link to these results)

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