A0A068LKQ4_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ4, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 121 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
1Q85.1Confident95.7Very high191 Ų19166.3 Ų66.389%0.89338%0.382SS*.  0141.50-174.3174.610.800108.1
2L93Very high95.8Very high17 Ų1761.4 Ų61.49%0.08935%0.354CS..  trans-67.3132.4178.3-175.570.6000110.2V24 S25 Y110L2-V24 HydrophobicContact CD1-CG1 3.71Å; L2-S25 CarbonylContact C-O 3.37Å; L2-S25 WeakPolarHBondContact CA-O 3.41Å; L2-Y110 HydrophobicContact CB-CD1 4.2Å; L2-Y110 HydrophobicContact CB-CE1 3.91Å; L2-Y110 HydrophobicContact CD2-CD1 3.87Å; L2-Y110 HydrophobicContact CD2-CD2 3.58Å; L2-Y110 HydrophobicContact CD2-CE1 4.1Å; L2-Y110 HydrophobicContact CD2-CE2 3.84Å; L2-Y110 HydrophobicContact CD2-CG 3.6Å; L2-Y110 HydrophobicContact CG-CD1 4.3Å; L2-Y110 HydrophobicContact CG-CE1 4.46Å; L2-Y110 HydrophobicContact CG-CG 4.46Å
3Q95.9Very high96Very high89 Ų8967 Ų6742%0.41637%0.371SS..EExtended strand (participates in β ladder)trans-136.7139.3178.1-64.9-65.5-13.900110.1S25Q3-S25 WeakPolarHBondContact CB-OG 3.43Å; Q3-S25 PolarHBondContact N-O 3.16Å; Q3-S25 PolarHBondContact O-N 3.03Å; Q3-S25 PolarHBondContact O-OG 2.88Å
4L98.2Very high96.1Very high5 Ų566.1 Ų66.13%0.02637%0.37CS..EExtended strand (participates in β ladder)trans-116.5122.3176.9-54.8-175.2000108.5V24 W36 G112L4-V24 HydrophobicContact CD2-CB 4.41Å; L4-V24 HydrophobicContact CD2-CG1 4.2Å; L4-V24 HydrophobicContact CD2-CG2 3.95Å; L4-W36 HydrophobicContact CD2-CE3 4.39Å; L4-W36 HydrophobicContact CD2-CZ3 3.66Å; L4-G112 VanDerWaalsContact O-CA 3.28Å; L4-G112 WeakPolarHBondContact O-CA 3.17Å
5Q98.2Very high96.2Very high111 Ų11168.2 Ų68.252%0.51939%0.391SS..EExtended strand (participates in β ladder)trans-123.8108.9-175.1-176.264.166.200110.7C22 T23Q5-C22 WeakPolarHBondContact O-CA 3.25Å; Q5-T23 PolarHBondContact N-O 3.34Å; Q5-T23 PolarHBondContact O-N 3.28Å
6E98.6Very high96.3Very high8 Ų869.6 Ų69.64%0.03739%0.393CS..EExtended strand (participates in β ladder)trans-72.5146.7172.1-57.886.1164.900111.4T21 W38 Y96 C97 G112 Q113 G114 T115E6-T21 CarbonylContact C-O 3.48Å; E6-T21 WeakPolarHBondContact CA-O 3.36Å; E6-W38 HydrophobicContact CB-CH2 4.49Å; E6-W38 HydrophobicContact CG-CH2 4.08Å; E6-W38 HydrophobicContact CG-CZ3 3.88Å; E6-Y96 VanDerWaalsContact OE1-CA 3.31Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.35Å; E6-C97 HydrophobicContact CG-CB 4.09Å; E6-C97 VanDerWaalsContact CG-SG 3.57Å; E6-C97 PolarHBondContact OE1-N 3.06Å; E6-C97 PolarHBondContact OE1-SG 3.32Å; E6-C97 VanDerWaalsContact OE1-SG 3.36Å; E6-G112 VanDerWaalsContact OE1-CA 3.25Å; E6-G112 WeakPolarHBondContact OE1-CA 3.24Å; E6-Q113 PolarHBondContact OE2-N 3.32Å; E6-G114 PolarHBondContact OE1-N 3.08Å; E6-G114 PolarHBondContact OE2-N 3.36Å; E6-G114 VanDerWaalsContact OE2-N 3.14Å; E6-T115 HydrophobicContact CB-CG2 3.75Å; E6-T115 HydrophobicContact CG-CG2 4.46Å
7S98.1Very high96.4Very high54 Ų5469.8 Ų69.838%0.37840%0.396SS..EExtended strand (participates in β ladder)trans-151149.8174.858.20000109.9L20 T21S7-L20 WeakPolarHBondContact O-CA 3.3Å; S7-T21 PolarHBondContact N-O 3.04Å; S7-T21 PolarHBondContact O-N 2.87Å; S7-T21 PolarHBondContact OG-O 2.83Å; S7-T21 VanDerWaalsContact OG-O 3.06Å
8G96.9Very high96.5Very high44 Ų4466 Ų6645%0.45438%0.375SS..SBendtrans158-173.9179.700000111.9
9P95.7Very high96.6Very high51 Ų5165.4 Ų65.433%0.33138%0.375SS..  trans-71135.5179.930.2-34.1000111V12 L18 S19P9-V12 HydrophobicContact CB-CG2 3.95Å; P9-V12 HydrophobicContact CG-CG2 3.62Å; P9-L18 HydrophobicContact CG-CD1 3.69Å; P9-S19 WeakPolarHBondContact CD-O 3.3Å
10G95.6Very high96.7Very high44 Ų4462.1 Ų62.145%0.45436%0.356SS..SBendtrans-79.6-20.5173.300000113.8T118G10-T118 PolarHBondContact O-N 2.78Å
11L97.6Very high96.8Very high115 Ų11561 Ų6160%0.60235%0.351SS*.EExtended strand (participates in β ladder)trans-137.3133.9179-176.967.1000109.7T118L11-T118 CarbonylContact C-O 3.6Å; L11-T118 VanDerWaalsContact CA-O 3.3Å; L11-T118 WeakPolarHBondContact CA-O 3.29Å; L11-T118 HydrophobicContact CD1-CG2 3.91Å
12V97.4Very high97.5Very high8 Ų852 Ų525%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-136.5148.5180-173.70000109.1P9 E16 L18 V87 V117 T118 V119 S120P9-V12 HydrophobicContact CB-CG2 3.95Å; P9-V12 HydrophobicContact CG-CG2 3.62Å; V12-E16 HydrophobicContact CG1-CB 3.73Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.16Å; V12-L18 HydrophobicContact CG2-CD1 4.03Å; V12-V87 HydrophobicContact CB-CG2 4.47Å; V12-V87 HydrophobicContact CG1-CG2 3.79Å; V12-V117 HydrophobicContact CG2-CG1 4.17Å; V12-T118 PolarHBondContact N-O 3.23Å; V12-V119 VanDerWaalsContact O-CA 3.29Å; V12-V119 WeakPolarHBondContact O-CA 3.22Å; V12-S120 PolarHBondContact O-N 2.59Å
13K97.9Very high97.7Very high134 Ų13453.2 Ų53.258%0.58332%0.317SS*.  trans-87.1157.2175.8-62.2178.5-178.7175.40111.5E16 V87K13-E16 HydrophobicContact CB-CG 4.1Å; K13-E16 PolarHBondContact N-OE2 2.95Å; K13-E16 WeakPolarHBondContact O-CB 3.38Å; K13-E16 PolarHBondContact O-N 2.81Å; K13-V87 VanDerWaalsContact O-CG2 3.31Å; K13-V87 WeakPolarHBondContact O-CG2 3.19Å
14P97.9Very high97.8Very high55 Ų5549.2 Ų49.236%0.35730%0.298SS..THydrogen-bonded Turntrans-53.3147172.4-28.236.8000112.4E16 V87 V119 S120P14-E16 PolarHBondContact O-N 3.1Å; P14-E16 VanDerWaalsContact O-N 3.11Å; P14-V87 WeakPolarHBondContact CA-O 3.44Å; P14-V119 HydrophobicContact CG-CG1 4.34Å; P14-S120 WeakPolarHBondContact CD-O 3.4Å; P14-S120 WeakPolarHBondContact CG-O 3.35Å
15S97.2Very high97.7Very high97 Ų9751.5 Ų51.568%0.67832%0.315SS*.THydrogen-bonded Turntrans68.2-8-179.2-48.60000116.2V87S15-V87 PolarHBondContact N-O 3.4Å
16E97.7Very high97.5Very high91 Ų9149.2 Ų49.243%0.42532%0.321SS..SBendtrans-72.9174.5172.6-66-176.9158.300111.8V12 K13 P14 S86 V87V12-E16 HydrophobicContact CG1-CB 3.73Å; V12-E16 WeakPolarHBondContact CG1-OE2 3.16Å; K13-E16 HydrophobicContact CB-CG 4.1Å; K13-E16 PolarHBondContact N-OE2 2.95Å; K13-E16 WeakPolarHBondContact O-CB 3.38Å; K13-E16 PolarHBondContact O-N 2.81Å; P14-E16 PolarHBondContact O-N 3.1Å; P14-E16 VanDerWaalsContact O-N 3.11Å; E16-S86 PolarHBondContact O-N 2.82Å; E16-V87 PolarHBondContact O-N 2.87Å; E16-V87 VanDerWaalsContact O-N 3.12Å
17T98.2Very high97.2Very high73 Ų7350.6 Ų50.645%0.44834%0.337SS..  trans-103.2117.1174.3-61.50000109.9K83 L84T17-K83 HydrophobicContact CG2-CB 4.27Å; T17-L84 CarbonylContact C-O 3.51Å; T17-L84 WeakPolarHBondContact CA-O 2.98Å
18L98.3Very high96.9Very high1 Ų150.9 Ų50.91%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-72.6129.2167.6169.162.2000109.1P9 V12 L20 K83 L84 V87 Y95 V117P9-L18 HydrophobicContact CG-CD1 3.69Å; V12-L18 HydrophobicContact CG2-CD1 4.03Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.91Å; L18-L20 HydrophobicContact CD2-CD1 4.27Å; L18-L20 HydrophobicContact CD2-CG 4.32Å; L18-L20 HydrophobicContact CG-CD2 4.45Å; L18-L20 HydrophobicContact CG-CG 4.07Å; L18-K83 CarbonylContact O-C 3.58Å; L18-K83 VanDerWaalsContact O-CA 3.3Å; L18-K83 WeakPolarHBondContact O-CA 3Å; L18-L84 HydrophobicContact CB-CB 4.33Å; L18-L84 PolarHBondContact N-O 3.16Å; L18-L84 PolarHBondContact O-N 3.3Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L18-Y95 HydrophobicContact CD2-CE1 4.17Å; L18-Y95 HydrophobicContact CD2-CE2 4.1Å; L18-V117 HydrophobicContact CD1-CG1 3.79Å; L18-V117 HydrophobicContact CD1-CG2 4.06Å; L18-V117 HydrophobicContact CD2-CB 4.45Å; L18-V117 HydrophobicContact CD2-CG1 3.98Å; L18-V117 HydrophobicContact CD2-CG2 4.3Å; L18-V117 HydrophobicContact CG-CG1 4.49Å
19S98.4Very high96.8Very high54 Ų5448.8 Ų48.838%0.37832%0.318SS..EExtended strand (participates in β ladder)trans-122.7115.4173-62.60000109.9P9 L82P9-S19 WeakPolarHBondContact CD-O 3.3Å; S19-L82 CarbonylContact C-O 3.58Å; S19-L82 WeakPolarHBondContact CA-O 3.43Å
20L98.8Very high96.7Very high0 Ų049.1 Ų49.10%032%0.321CS..EExtended strand (participates in β ladder)trans-114148.9175.2-60.7-179.3000110.4S7 L18 W38 S81 L82 Y95 T115 V117S7-L20 WeakPolarHBondContact O-CA 3.3Å; L18-L20 HydrophobicContact CD1-CD2 3.75Å; L18-L20 HydrophobicContact CD1-CG 3.91Å; L18-L20 HydrophobicContact CD2-CD1 4.27Å; L18-L20 HydrophobicContact CD2-CG 4.32Å; L18-L20 HydrophobicContact CG-CD2 4.45Å; L18-L20 HydrophobicContact CG-CG 4.07Å; L20-W38 HydrophobicContact CB-CH2 3.61Å; L20-W38 HydrophobicContact CB-CZ2 4.02Å; L20-W38 HydrophobicContact CB-CZ3 4.06Å; L20-W38 HydrophobicContact CD1-CE3 4.43Å; L20-W38 HydrophobicContact CD1-CH2 4.32Å; L20-W38 HydrophobicContact CD1-CZ3 3.91Å; L20-S81 CarbonylContact O-C 3.6Å; L20-S81 WeakPolarHBondContact O-CA 3.39Å; L20-S81 VanDerWaalsContact O-CB 3.23Å; L20-S81 WeakPolarHBondContact O-CB 3.4Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.35Å; L20-L82 PolarHBondContact N-O 2.89Å; L20-L82 PolarHBondContact O-N 2.89Å; L20-Y95 VanDerWaalsContact CD1-CB 3.43Å; L20-Y95 HydrophobicContact CD1-CD1 3.71Å; L20-Y95 HydrophobicContact CD1-CD2 4.17Å; L20-Y95 HydrophobicContact CD1-CG 3.51Å; L20-T115 HydrophobicContact CD1-CG2 4.24Å; L20-T115 HydrophobicContact CD2-CG2 4.06Å; L20-V117 HydrophobicContact CD1-CG2 4.33Å; L20-V117 HydrophobicContact CD2-CG2 3.99Å
21T98.7Very high96.5Very high40 Ų4048.6 Ų48.625%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-129.2134175.2-60.40000109.1E6 S7 Q79E6-T21 CarbonylContact C-O 3.48Å; E6-T21 WeakPolarHBondContact CA-O 3.36Å; S7-T21 PolarHBondContact N-O 3.04Å; S7-T21 PolarHBondContact O-N 2.87Å; S7-T21 PolarHBondContact OG-O 2.83Å; S7-T21 VanDerWaalsContact OG-O 3.06Å; T21-Q79 HydrophobicContact CG2-CB 4.08Å; T21-Q79 HydrophobicContact CG2-CG 3.95Å
22C98.6Very high96.1Very high0 Ų048.7 Ų48.70%031%0.312CS..EExtended strand (participates in β ladder)trans-108.9122.8169.3-179.60000109.4Q5 W38 Q79 F80 C97Q5-C22 WeakPolarHBondContact O-CA 3.25Å; C22-W38 HydrophobicContact CB-CH2 3.93Å; C22-W38 HydrophobicContact CB-CZ2 3.73Å; C22-Q79 WeakPolarHBondContact O-CA 3.39Å; C22-F80 HydrophobicContact CB-CD1 3.97Å; C22-F80 HydrophobicContact CB-CE1 3.56Å; C22-F80 HydrophobicContact CB-CE2 4.15Å; C22-F80 HydrophobicContact CB-CG 4.46Å; C22-F80 HydrophobicContact CB-CZ 3.7Å; C22-F80 PolarHBondContact N-O 2.75Å; C22-F80 PolarHBondContact O-N 3.47Å; C22-F80 VanDerWaalsContact O-N 3.11Å; C22-F80 WeakPolarHBondContact SG-CE1 3.32Å; C22-C97 HydrophobicContact CB-CB 3.34Å; C22-C97 WeakPolarHBondContact CB-SG 3.43Å; C22-C97 WeakPolarHBondContact SG-CB 3.46Å; C22-C97 CovalentContact SG-SG 2.05Å; C22-C97 PolarHBondContact SG-SG 3.4Å
23T98.3Very high95.8Very high44 Ų4450 Ų5027%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-93.7127.9175.2-58.30000109.8Q5 Q79Q5-T23 PolarHBondContact N-O 3.34Å; Q5-T23 PolarHBondContact O-N 3.28Å; T23-Q79 HydrophobicContact CG2-CG 4.32Å; T23-Q79 PolarHBondContact OG1-NE2 2.73Å
24V97.7Very high95.6Very high4 Ų446.4 Ų46.42%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-93.9126.5174.5-175.20000108.3L2 L4 I29 W36 N78 F80L2-V24 HydrophobicContact CD1-CG1 3.71Å; L4-V24 HydrophobicContact CD2-CB 4.41Å; L4-V24 HydrophobicContact CD2-CG1 4.2Å; L4-V24 HydrophobicContact CD2-CG2 3.95Å; V24-I29 HydrophobicContact CG2-CB 4.43Å; V24-I29 HydrophobicContact CG2-CD1 4.07Å; V24-I29 HydrophobicContact CG2-CG1 4.21Å; V24-W36 HydrophobicContact CG1-CH2 3.81Å; V24-W36 HydrophobicContact CG1-CZ3 4.19Å; V24-W36 HydrophobicContact CG2-CE3 4.06Å; V24-W36 HydrophobicContact CG2-CH2 4.01Å; V24-W36 HydrophobicContact CG2-CZ3 3.76Å; V24-N78 WeakPolarHBondContact CB-O 3.46Å; V24-N78 PolarHBondContact N-O 2.91Å; V24-N78 PolarHBondContact O-ND2 2.9Å; V24-F80 HydrophobicContact CG2-CD1 4.28Å; V24-F80 HydrophobicContact CG2-CE1 4.13Å
25S96.7Very high95.5Very high53 Ų5344.9 Ų44.937%0.37129%0.294SS..EExtended strand (participates in β ladder)trans-131.9148176.851.10000111.1L2 Q3 G27L2-S25 CarbonylContact C-O 3.37Å; L2-S25 WeakPolarHBondContact CA-O 3.41Å; Q3-S25 WeakPolarHBondContact CB-OG 3.43Å; Q3-S25 PolarHBondContact N-O 3.16Å; Q3-S25 PolarHBondContact O-N 3.03Å; Q3-S25 PolarHBondContact O-OG 2.88Å; S25-G27 VanDerWaalsContact C-N 3.27Å; S25-G27 PolarHBondContact O-N 2.83Å
26G93.6Very high95.5Very high63 Ų6340.3 Ų40.365%0.64926%0.262SS*.SBendtrans70.119.8-174.900000114.9
27G91.2Very high95.5Very high37 Ų3736 Ų3638%0.38124%0.242SC..SBendtrans-168.9177.9173.600000111.4S25 N78S25-G27 VanDerWaalsContact C-N 3.27Å; S25-G27 PolarHBondContact O-N 2.83Å; G27-N78 PolarHBondContact O-ND2 2.86Å
28S93Very high95.5Very high61 Ų6132.5 Ų32.543%0.42722%0.22SC..  trans-110.8132.5179.7-1730000111.9S30S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-N 3.04Å; S28-S30 PolarHBondContact OG-OG 2.95Å
29I94.8Very high95.5Very high0 Ų032.9 Ų32.90%022%0.222CC..THydrogen-bonded Turntrans-69.5-22.2175-155169.9000112.2V24 S31 W36 Y55 V73 T75 N78 Q79 F80V24-I29 HydrophobicContact CG2-CB 4.43Å; V24-I29 HydrophobicContact CG2-CD1 4.07Å; V24-I29 HydrophobicContact CG2-CG1 4.21Å; I29-S31 VanDerWaalsContact C-N 3.31Å; I29-S31 PolarHBondContact O-N 3.32Å; I29-W36 HydrophobicContact CB-CZ2 4.32Å; I29-W36 HydrophobicContact CD1-CG 4.37Å; I29-W36 HydrophobicContact CG1-CD2 3.88Å; I29-W36 VanDerWaalsContact CG1-CE2 3.46Å; I29-W36 HydrophobicContact CG1-CG 3.94Å; I29-W36 HydrophobicContact CG1-CZ2 4.02Å; I29-W36 PolarHBondContact O-NE1 3.13Å; I29-Y55 WeakPolarHBondContact O-CB 3.5Å; I29-V73 HydrophobicContact CD1-CG2 3.71Å; I29-V73 HydrophobicContact CG1-CG2 4.16Å; I29-T75 HydrophobicContact CG2-CG2 4.06Å; I29-N78 WeakPolarHBondContact CB-OD1 3.48Å; I29-N78 VanDerWaalsContact CG2-OD1 3.29Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.31Å; I29-N78 PolarHBondContact N-OD1 2.95Å; I29-Q79 WeakPolarHBondContact CD1-O 3.42Å; I29-F80 HydrophobicContact CD1-CB 4Å; I29-F80 HydrophobicContact CD1-CD1 3.76Å; I29-F80 HydrophobicContact CD1-CG 4.33Å
30S94.4Very high95.5Very high57 Ų5731 Ų3140%0.39921%0.207SC..THydrogen-bonded Turntrans-86.212.9-174.562.10000115.3S28 Y55S28-S30 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact OG-N 3.04Å; S28-S30 PolarHBondContact OG-OG 2.95Å; S30-Y55 WeakPolarHBondContact O-CD1 3.46Å; S30-Y55 VanDerWaalsContact O-CE1 3.3Å; S30-Y55 WeakPolarHBondContact O-CE1 3.28Å
31S90.7Very high95.5Very high34 Ų3434.6 Ų34.624%0.23822%0.223CC..  trans-72.4136.1175.7177.60000111.5I29 A33 Y34 Y55I29-S31 VanDerWaalsContact C-N 3.31Å; I29-S31 PolarHBondContact O-N 3.32Å; S31-A33 PolarHBondContact O-N 3.05Å; S31-A33 PolarHBondContact OG-N 3.1Å; S31-Y34 VanDerWaalsContact CB-CD2 3.45Å; S31-Y34 PolarHBondContact O-N 2.97Å; S31-Y34 WeakPolarHBondContact OG-CE2 3.47Å; S31-Y55 WeakPolarHBondContact O-CD1 3.43Å
32N89Confident95.4Very high117 Ų11733.1 Ų33.163%0.62622%0.215SC*.THydrogen-bonded Turntrans-71.8-8.2175.965.5-10000115.1Y54 Y55N32-Y54 VanDerWaalsContact CA-OH 3.24Å; N32-Y54 WeakPolarHBondContact CA-OH 3.42Å; N32-Y54 WeakPolarHBondContact CB-OH 3.37Å; N32-Y55 HydrophobicContact CB-CE1 4.03Å
33A90.2Very high95.3Very high35 Ų3537.9 Ų37.929%0.28925%0.245SC..THydrogen-bonded Turntrans-86.5-10.3177.500000113S31 T101 A102S31-A33 PolarHBondContact O-N 3.05Å; S31-A33 PolarHBondContact OG-N 3.1Å; A33-T101 WeakPolarHBondContact O-CA 3.34Å; A33-A102 WeakPolarHBondContact O-CB 3.34Å; A33-A102 PolarHBondContact O-N 3.03Å
34Y93.8Very high95.3Very high59 Ų5940.2 Ų40.223%0.23128%0.279CS..EExtended strand (participates in β ladder)trans-126.7146.7-166.3-50.6-48.6000114.6S31 W36 Y54 R99 L100S31-Y34 VanDerWaalsContact CB-CD2 3.45Å; S31-Y34 PolarHBondContact O-N 2.97Å; S31-Y34 WeakPolarHBondContact OG-CE2 3.47Å; Y34-W36 HydrophobicContact CD2-CZ2 4.4Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y34-R99 HydrophobicContact CD1-CG 4.15Å; Y34-R99 HydrophobicContact CG-CG 3.94Å; Y34-L100 CarbonylContact C-O 3.58Å; Y34-L100 VanDerWaalsContact CA-O 3.29Å; Y34-L100 WeakPolarHBondContact CA-O 3.49Å
35Y95.9Very high95.2Very high23 Ų2347 Ų479%0.0931%0.308CS..EExtended strand (participates in β ladder)trans-114.8152.2164.4-80.7-113.9000109.4Y54 Y60 L100 A102 W106Y35-Y54 AromaticContact CD2-CD2 3.96Å; Y35-Y54 HydrophobicContact CD2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE1-CG 4.38Å; Y35-Y54 AromaticContact CE2-CD2 3.65Å; Y35-Y54 HydrophobicContact CE2-CD2 3.65Å; Y35-Y54 HydrophobicContact CE2-CE2 4.38Å; Y35-Y54 HydrophobicContact CE2-CG 4.19Å; Y35-Y54 AromaticContact CZ-CD2 3.98Å; Y35-Y60 HydrophobicContact CD1-CD2 4.1Å; Y35-Y60 HydrophobicContact CD1-CE2 4.18Å; Y35-Y60 AromaticContact CE1-CD2 3.66Å; Y35-Y60 HydrophobicContact CE1-CD2 3.66Å; Y35-Y60 AromaticContact CE1-CE2 3.33Å; Y35-Y60 HydrophobicContact CE1-CE2 3.33Å; Y35-Y60 AromaticContact CZ-CE2 3.81Å; Y35-L100 PolarHBondContact N-O 3.36Å; Y35-L100 PolarHBondContact O-N 3.28Å; Y35-A102 HydrophobicContact CD2-CB 4.46Å; Y35-A102 HydrophobicContact CE2-CB 4.39Å; Y35-W106 HydrophobicContact CD1-CZ3 4.34Å; Y35-W106 HydrophobicContact CD2-CE3 4.43Å; Y35-W106 AromaticContact CD2-CH2 3.69Å; Y35-W106 HydrophobicContact CD2-CH2 3.69Å; Y35-W106 AromaticContact CD2-CZ3 3.26Å; Y35-W106 HydrophobicContact CD2-CZ3 3.26Å; Y35-W106 HydrophobicContact CE1-CH2 4.4Å; Y35-W106 AromaticContact CE2-CH2 3.37Å; Y35-W106 HydrophobicContact CE2-CH2 3.37Å; Y35-W106 AromaticContact CE2-CZ3 3.5Å; Y35-W106 HydrophobicContact CE2-CZ3 3.5Å; Y35-W106 HydrophobicContact CG-CH2 4.28Å; Y35-W106 AromaticContact CG-CZ3 3.69Å; Y35-W106 HydrophobicContact CG-CZ3 3.69Å; Y35-W106 AromaticContact CZ-CH2 3.75Å
36W97.3Very high95.2Very high1 Ų147 Ų470%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-116.6112.4-175-59.3100.4000109.1L4 V24 I29 Y34 S52 I53 F80 R99L4-W36 HydrophobicContact CD2-CE3 4.39Å; L4-W36 HydrophobicContact CD2-CZ3 3.66Å; V24-W36 HydrophobicContact CG1-CH2 3.81Å; V24-W36 HydrophobicContact CG1-CZ3 4.19Å; V24-W36 HydrophobicContact CG2-CE3 4.06Å; V24-W36 HydrophobicContact CG2-CH2 4.01Å; V24-W36 HydrophobicContact CG2-CZ3 3.76Å; I29-W36 HydrophobicContact CB-CZ2 4.32Å; I29-W36 HydrophobicContact CD1-CG 4.37Å; I29-W36 HydrophobicContact CG1-CD2 3.88Å; I29-W36 VanDerWaalsContact CG1-CE2 3.46Å; I29-W36 HydrophobicContact CG1-CG 3.94Å; I29-W36 HydrophobicContact CG1-CZ2 4.02Å; I29-W36 PolarHBondContact O-NE1 3.13Å; Y34-W36 HydrophobicContact CD2-CZ2 4.4Å; W36-S52 CarbonylContact O-C 3.58Å; W36-S52 WeakPolarHBondContact O-CA 3.5Å; W36-I53 HydrophobicContact CB-CG2 4.19Å; W36-I53 PolarHBondContact N-O 2.86Å; W36-I53 PolarHBondContact O-N 2.76Å; W36-F80 HydrophobicContact CB-CB 4.49Å; W36-F80 HydrophobicContact CB-CD1 3.79Å; W36-F80 HydrophobicContact CB-CD2 3.78Å; W36-F80 HydrophobicContact CB-CE1 3.75Å; W36-F80 HydrophobicContact CB-CE2 3.76Å; W36-F80 HydrophobicContact CB-CG 3.77Å; W36-F80 HydrophobicContact CB-CZ 3.7Å; W36-F80 HydrophobicContact CD2-CD1 4.42Å; W36-F80 HydrophobicContact CD2-CE1 4.13Å; W36-F80 HydrophobicContact CE3-CD1 4.41Å; W36-F80 AromaticContact CE3-CE1 3.72Å; W36-F80 HydrophobicContact CE3-CE1 3.72Å; W36-F80 HydrophobicContact CE3-CZ 4.18Å; W36-F80 HydrophobicContact CG-CD1 4.17Å; W36-F80 HydrophobicContact CG-CE1 4.17Å; W36-R99 HydrophobicContact CE3-CB 4.04Å; W36-R99 HydrophobicContact CE3-CG 4.01Å; W36-R99 HydrophobicContact CH2-CB 4.25Å; W36-R99 HydrophobicContact CH2-CG 3.71Å; W36-R99 HydrophobicContact CZ2-CG 4.18Å; W36-R99 HydrophobicContact CZ3-CB 3.66Å; W36-R99 HydrophobicContact CZ3-CG 3.59Å
37G97.4Very high95.4Very high0 Ų048.7 Ų48.70%031%0.31CS..EExtended strand (participates in β ladder)trans-107.4151.8-168.200000113.6G51 F80 C97 A98G37-G51 CarbonylContact C-O 3.49Å; G37-G51 VanDerWaalsContact CA-O 3.31Å; G37-G51 WeakPolarHBondContact CA-O 3.43Å; G37-F80 WeakPolarHBondContact O-CE2 3.24Å; G37-C97 CarbonylContact O-C 3.48Å; G37-C97 WeakPolarHBondContact O-CA 3.36Å; G37-A98 PolarHBondContact N-O 3.33Å; G37-A98 PolarHBondContact O-N 3.11Å
38W98.5Very high95.7Very high0 Ų049.5 Ų49.50%030%0.304CS..EExtended strand (participates in β ladder)trans-114.7134166.2-76.199.3000110E6 L20 C22 I50 G51 F80 L82 Y96 C97E6-W38 HydrophobicContact CB-CH2 4.49Å; E6-W38 HydrophobicContact CG-CH2 4.08Å; E6-W38 HydrophobicContact CG-CZ3 3.88Å; L20-W38 HydrophobicContact CB-CH2 3.61Å; L20-W38 HydrophobicContact CB-CZ2 4.02Å; L20-W38 HydrophobicContact CB-CZ3 4.06Å; L20-W38 HydrophobicContact CD1-CE3 4.43Å; L20-W38 HydrophobicContact CD1-CH2 4.32Å; L20-W38 HydrophobicContact CD1-CZ3 3.91Å; C22-W38 HydrophobicContact CB-CH2 3.93Å; C22-W38 HydrophobicContact CB-CZ2 3.73Å; W38-I50 HydrophobicContact CB-CB 4.19Å; W38-I50 HydrophobicContact CB-CD1 4.32Å; W38-I50 WeakPolarHBondContact O-CB 3.45Å; W38-I50 PolarHBondContact O-N 3.32Å; W38-G51 PolarHBondContact N-O 3.2Å; W38-G51 PolarHBondContact O-N 2.63Å; W38-F80 AromaticContact CD1-CD2 3.89Å; W38-F80 AromaticContact CD1-CE2 3.82Å; W38-F80 AromaticContact CE2-CE2 3.95Å; W38-F80 HydrophobicContact CG-CE2 4.45Å; W38-F80 AromaticContact NE1-CD2 3.34Å; W38-F80 VanDerWaalsContact NE1-CD2 3.34Å; W38-F80 AromaticContact NE1-CE2 3.48Å; W38-L82 HydrophobicContact CB-CD2 4.19Å; W38-L82 HydrophobicContact CD2-CB 3.8Å; W38-L82 HydrophobicContact CD2-CD2 4.12Å; W38-L82 HydrophobicContact CE3-CD2 4.33Å; W38-L82 HydrophobicContact CG-CB 3.83Å; W38-L82 HydrophobicContact CG-CD2 4.08Å; W38-L82 HydrophobicContact CG-CG 4.38Å; W38-L82 HydrophobicContact CZ2-CB 4.21Å; W38-Y96 WeakPolarHBondContact CA-O 3.41Å; W38-C97 HydrophobicContact CD2-CB 4.46Å; W38-C97 HydrophobicContact CE3-CB 4.23Å; W38-C97 HydrophobicContact CH2-CB 4.18Å; W38-C97 HydrophobicContact CZ2-CB 4.41Å; W38-C97 HydrophobicContact CZ3-CB 4.08Å
39I98.4Very high95.8Very high8 Ų850.7 Ų50.74%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-135144.6-178.2-59.1168.2000106.4L47 E48 Y95 Y96 A98 I108 W111I39-L47 HydrophobicContact CG2-CB 4.04Å; I39-L47 HydrophobicContact CG2-CD2 3.83Å; I39-L47 HydrophobicContact CG2-CG 4.48Å; I39-E48 WeakPolarHBondContact CA-O 3.42Å; I39-E48 WeakPolarHBondContact CG2-O 3.35Å; I39-Y95 CarbonylContact O-C 3.48Å; I39-Y95 WeakPolarHBondContact O-CA 3.15Å; I39-Y96 PolarHBondContact N-O 2.94Å; I39-Y96 PolarHBondContact O-N 3Å; I39-A98 HydrophobicContact CD1-CB 3.97Å; I39-I108 HydrophobicContact CD1-CD1 3.67Å; I39-W111 HydrophobicContact CB-CH2 4.37Å; I39-W111 HydrophobicContact CB-CZ3 4.09Å; I39-W111 HydrophobicContact CD1-CE3 4.48Å; I39-W111 HydrophobicContact CD1-CH2 3.24Å; I39-W111 HydrophobicContact CD1-CZ2 3.97Å; I39-W111 HydrophobicContact CD1-CZ3 3.55Å; I39-W111 HydrophobicContact CG1-CH2 4.35Å; I39-W111 HydrophobicContact CG1-CZ3 4.38Å; I39-W111 HydrophobicContact CG2-CH2 4.11Å; I39-W111 HydrophobicContact CG2-CZ3 4.11Å
40R98.1Very high96Very high15 Ų1550.8 Ų50.86%0.05730%0.3CS..EExtended strand (participates in β ladder)trans-128152.4174.165.1178.9-174.8-177.94.7112E48 I50 D91 A93 V94 Y95R40-E48 HydrophobicContact CG-CB 4.17Å; R40-E48 IonicContact CZ-OE2 3.23Å; R40-E48 VanDerWaalsContact CZ-OE2 3.23Å; R40-E48 PolarHBondContact N-O 2.9Å; R40-E48 IonicContact NE-OE2 2.75Å; R40-E48 PolarHBondContact NE-OE2 3.33Å; R40-E48 IonicContact NH2-OE1 3.47Å; R40-E48 PolarHBondContact NH2-OE1 2.88Å; R40-E48 IonicContact NH2-OE2 2.83Å; R40-E48 PolarHBondContact NH2-OE2 3.12Å; R40-E48 PolarHBondContact O-N 3.27Å; R40-I50 HydrophobicContact CB-CD1 3.98Å; R40-I50 HydrophobicContact CG-CD1 3.93Å; R40-I50 HydrophobicContact CG-CG1 4.03Å; R40-D91 IonicContact CZ-OD1 3.76Å; R40-D91 IonicContact NH1-OD1 2.73Å; R40-D91 PolarHBondContact NH1-OD1 2.85Å; R40-D91 IonicContact NH2-OD1 3.97Å; R40-A93 HydrophobicContact CB-CB 3.85Å; R40-A93 HydrophobicContact CG-CB 4.41Å; R40-V94 CarbonylContact C-O 3.59Å; R40-V94 VanDerWaalsContact CA-O 3.24Å; R40-V94 WeakPolarHBondContact CA-O 3.3Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.87Å; R40-Y95 HydrophobicContact CB-CG 4.26Å; R40-Y95 HydrophobicContact CG-CE1 4.47Å
41Q98.5Very high96.1Very high75 Ų7548.1 Ų48.135%0.3528%0.281SS..EExtended strand (participates in β ladder)trans-123.9100172.2-169.117621.600109.8K45 L47 A93 V94 Y96Q41-K45 WeakPolarHBondContact CG-O 3.3Å; Q41-K45 PolarHBondContact NE2-O 3.11Å; Q41-L47 HydrophobicContact CB-CD2 4Å; Q41-A93 WeakPolarHBondContact O-CA 3.4Å; Q41-A93 WeakPolarHBondContact O-CB 3.37Å; Q41-V94 PolarHBondContact N-O 3.48Å; Q41-V94 PolarHBondContact O-N 3.44Å; Q41-Y96 HydrophobicContact CB-CE2 3.96Å
42P97.8Very high96.4Very high10 Ų1046.8 Ų46.87%0.06527%0.271CS..  trans-65.4152.1171.3-1931.9000111.4G44 K45 A93P42-G44 PolarHBondContact O-N 2.95Å; P42-K45 HydrophobicContact CB-CB 4.15Å; P42-K45 HydrophobicContact CB-CD 4.02Å; P42-K45 HydrophobicContact CB-CG 4.28Å; P42-K45 HydrophobicContact CG-CB 4.39Å; P42-K45 HydrophobicContact CG-CD 4.24Å; P42-K45 PolarHBondContact O-N 2.86Å; P42-A93 HydrophobicContact CG-CB 4.34Å
43P96.8Very high96.8Very high99 Ų9941.4 Ų41.464%0.64324%0.243SC*.THydrogen-bonded Turntrans-54.3130.5176.4-25.533.9000112.2K45 T92P43-K45 PolarHBondContact O-N 3.3Å; P43-T92 VanDerWaalsContact CD-O 3.25Å; P43-T92 WeakPolarHBondContact CD-O 3.29Å; P43-T92 HydrophobicContact CG-CG2 4.41Å
44G97.2Very high97.1Very high94 Ų9441.7 Ų41.797%0.96924%0.237SC*.THydrogen-bonded Turntrans70.59.9179.900000115.2P42P42-G44 PolarHBondContact O-N 2.95Å
45K96.6Very high97.1Very high145 Ų14543 Ų4363%0.6324%0.242SC*.SBendtrans-120.2164.1178.3-60.9-169.6-176177.30112Q41 P42 P43Q41-K45 WeakPolarHBondContact CG-O 3.3Å; Q41-K45 PolarHBondContact NE2-O 3.11Å; P42-K45 HydrophobicContact CB-CB 4.15Å; P42-K45 HydrophobicContact CB-CD 4.02Å; P42-K45 HydrophobicContact CB-CG 4.28Å; P42-K45 HydrophobicContact CG-CB 4.39Å; P42-K45 HydrophobicContact CG-CD 4.24Å; P42-K45 PolarHBondContact O-N 2.86Å; P43-K45 PolarHBondContact O-N 3.3Å
46G96.4Very high96.9Very high54 Ų5444.2 Ų44.256%0.55726%0.262SS*.  trans-72.6177.2170.200000112.7
47L97.1Very high96.7Very high98 Ų9846.1 Ų46.151%0.51328%0.281SS..  trans-66.3132.2173.6-68.7163.9000110.6I39 Q41 Y96 W111I39-L47 HydrophobicContact CG2-CB 4.04Å; I39-L47 HydrophobicContact CG2-CD2 3.83Å; I39-L47 HydrophobicContact CG2-CG 4.48Å; Q41-L47 HydrophobicContact CB-CD2 4Å; L47-Y96 HydrophobicContact CD2-CD2 4.19Å; L47-Y96 HydrophobicContact CD2-CE2 4.12Å; L47-W111 HydrophobicContact CD1-CH2 4.01Å; L47-W111 HydrophobicContact CD2-CH2 4.46Å; L47-W111 HydrophobicContact CD2-CZ3 4.44Å
48E97.4Very high96.6Very high54 Ų5450.7 Ų50.725%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-116.8119.5175.6-175.7-174.8-17000109.1I39 R40I39-E48 WeakPolarHBondContact CA-O 3.42Å; I39-E48 WeakPolarHBondContact CG2-O 3.35Å; R40-E48 HydrophobicContact CG-CB 4.17Å; R40-E48 IonicContact CZ-OE2 3.23Å; R40-E48 VanDerWaalsContact CZ-OE2 3.23Å; R40-E48 PolarHBondContact N-O 2.9Å; R40-E48 IonicContact NE-OE2 2.75Å; R40-E48 PolarHBondContact NE-OE2 3.33Å; R40-E48 IonicContact NH2-OE1 3.47Å; R40-E48 PolarHBondContact NH2-OE1 2.88Å; R40-E48 IonicContact NH2-OE2 2.83Å; R40-E48 PolarHBondContact NH2-OE2 3.12Å; R40-E48 PolarHBondContact O-N 3.27Å
49W96.5Very high96.5Very high87 Ų8753 Ų5333%0.3332%0.32SS..EExtended strand (participates in β ladder)trans-72133.8174179.982.1000110.7G51 Y60 N62W49-G51 VanDerWaalsContact CZ2-C 3.49Å; W49-Y60 WeakPolarHBondContact CH2-O 3.38Å; W49-N62 HydrophobicContact CE3-CB 3.79Å; W49-N62 HydrophobicContact CZ3-CB 3.99Å; W49-N62 VanDerWaalsContact O-CB 3.3Å; W49-N62 WeakPolarHBondContact O-CB 3.34Å; W49-N62 PolarHBondContact O-ND2 3.31Å
50I98.1Very high96.3Very high2 Ų258 Ų581%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-98.3-49.7180-61.4176.9000110.7W38 R40 N62 L65 V69 L82 Y95W38-I50 HydrophobicContact CB-CB 4.19Å; W38-I50 HydrophobicContact CB-CD1 4.32Å; W38-I50 WeakPolarHBondContact O-CB 3.45Å; W38-I50 PolarHBondContact O-N 3.32Å; R40-I50 HydrophobicContact CB-CD1 3.98Å; R40-I50 HydrophobicContact CG-CD1 3.93Å; R40-I50 HydrophobicContact CG-CG1 4.03Å; I50-N62 WeakPolarHBondContact O-CB 3.17Å; I50-N62 PolarHBondContact O-N 3.41Å; I50-L65 HydrophobicContact CB-CD1 4.36Å; I50-L65 HydrophobicContact CG1-CD1 4.07Å; I50-L65 HydrophobicContact CG2-CD1 4.25Å; I50-V69 HydrophobicContact CG2-CB 4.45Å; I50-V69 HydrophobicContact CG2-CG1 3.81Å; I50-V69 HydrophobicContact CG2-CG2 3.81Å; I50-L82 HydrophobicContact CD1-CD2 3.84Å; I50-L82 HydrophobicContact CG2-CD1 3.94Å; I50-Y95 HydrophobicContact CD1-CD1 3.8Å; I50-Y95 HydrophobicContact CD1-CE1 3.65Å
51G97.3Very high96.3Very high0 Ų059.7 Ų59.70%035%0.346CS..EExtended strand (participates in β ladder)trans171.5173.8-174.100000112.2G37 W38 W49 Y60G37-G51 CarbonylContact C-O 3.49Å; G37-G51 VanDerWaalsContact CA-O 3.31Å; G37-G51 WeakPolarHBondContact CA-O 3.43Å; W38-G51 PolarHBondContact N-O 3.2Å; W38-G51 PolarHBondContact O-N 2.63Å; W49-G51 VanDerWaalsContact CZ2-C 3.49Å; G51-Y60 CarbonylContact C-O 3.59Å; G51-Y60 WeakPolarHBondContact CA-O 3.31Å
52S96.9Very high96.1Very high6 Ų657.5 Ų57.54%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-147.8156.6174.762.50000112W36 T59 Y60W36-S52 CarbonylContact O-C 3.58Å; W36-S52 WeakPolarHBondContact O-CA 3.5Å; S52-T59 CarbonylContact O-C 3.58Å; S52-T59 VanDerWaalsContact O-CA 3.32Å; S52-T59 WeakPolarHBondContact O-CA 3.4Å; S52-Y60 PolarHBondContact N-O 3.36Å; S52-Y60 PolarHBondContact O-N 3.48Å
53I97.3Very high96.1Very high5 Ų562.4 Ų62.43%0.02637%0.368CS..EExtended strand (participates in β ladder)trans-129.2136.9177.4-169.7160.2000111.5W36 N58 T59 I71 V73 F80W36-I53 HydrophobicContact CB-CG2 4.19Å; W36-I53 PolarHBondContact N-O 2.86Å; W36-I53 PolarHBondContact O-N 2.76Å; I53-N58 CarbonylContact C-O 3.57Å; I53-N58 WeakPolarHBondContact CA-O 2.99Å; I53-T59 HydrophobicContact CB-CG2 3.94Å; I53-T59 HydrophobicContact CD1-CG2 3.61Å; I53-T59 HydrophobicContact CG1-CG2 3.67Å; I53-I71 HydrophobicContact CB-CG2 3.63Å; I53-I71 HydrophobicContact CD1-CG2 4.33Å; I53-I71 HydrophobicContact CG2-CG2 3.48Å; I53-I71 VanDerWaalsContact CG2-CG2 3.48Å; I53-V73 HydrophobicContact CD1-CB 4.04Å; I53-V73 HydrophobicContact CD1-CG1 3.89Å; I53-V73 HydrophobicContact CG1-CB 4.38Å; I53-V73 HydrophobicContact CG1-CG1 4.26Å; I53-V73 HydrophobicContact CG2-CB 4.29Å; I53-F80 HydrophobicContact CG2-CB 4.23Å
54Y95.7Very high95.9Very high41 Ų4162.3 Ų62.316%0.16137%0.37CS..EExtended strand (participates in β ladder)trans-81.4150.7164.7-173.8-123.1000110N32 Y34 Y35 G56 G57 N58N32-Y54 VanDerWaalsContact CA-OH 3.24Å; N32-Y54 WeakPolarHBondContact CA-OH 3.42Å; N32-Y54 WeakPolarHBondContact CB-OH 3.37Å; Y34-Y54 WeakPolarHBondContact O-CD2 3.42Å; Y35-Y54 AromaticContact CD2-CD2 3.96Å; Y35-Y54 HydrophobicContact CD2-CD2 3.96Å; Y35-Y54 HydrophobicContact CE1-CG 4.38Å; Y35-Y54 AromaticContact CE2-CD2 3.65Å; Y35-Y54 HydrophobicContact CE2-CD2 3.65Å; Y35-Y54 HydrophobicContact CE2-CE2 4.38Å; Y35-Y54 HydrophobicContact CE2-CG 4.19Å; Y35-Y54 AromaticContact CZ-CD2 3.98Å; Y54-G56 PolarHBondContact O-N 2.98Å; Y54-G57 PolarHBondContact O-N 3.14Å; Y54-N58 PolarHBondContact N-O 2.99Å
55Y93.9Very high95.8Very high85 Ų8558.1 Ų58.133%0.33333%0.326SS..THydrogen-bonded Turntrans-58.5-26.8178.981.1-97.8000113.4I29 S30 S31 N32 G57I29-Y55 WeakPolarHBondContact O-CB 3.5Å; S30-Y55 WeakPolarHBondContact O-CD1 3.46Å; S30-Y55 VanDerWaalsContact O-CE1 3.3Å; S30-Y55 WeakPolarHBondContact O-CE1 3.28Å; S31-Y55 WeakPolarHBondContact O-CD1 3.43Å; N32-Y55 HydrophobicContact CB-CE1 4.03Å; Y55-G57 PolarHBondContact O-N 3.49Å
56G92.5Very high95.7Very high50 Ų5057.8 Ų57.852%0.51532%0.324SS..THydrogen-bonded Turntrans-76.51.1174.600000115Y54Y54-G56 PolarHBondContact O-N 2.98Å
57G92.4Very high95.7Very high40 Ų4060.4 Ų60.441%0.41233%0.334SS..SBendtrans97.4-6.2175.300000115.4Y54 Y55 T59Y54-G57 PolarHBondContact O-N 3.14Å; Y55-G57 PolarHBondContact O-N 3.49Å; G57-T59 PolarHBondContact O-N 3.05Å
58N94.4Very high95.7Very high96 Ų9658.4 Ų58.451%0.51332%0.32SS..  trans-64.9121.7175.8-68.459.8000110.3I53 Y54I53-N58 CarbonylContact C-O 3.57Å; I53-N58 WeakPolarHBondContact CA-O 2.99Å; Y54-N58 PolarHBondContact N-O 2.99Å
59T96.2Very high95.7Very high50 Ų5056.1 Ų56.131%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-113.5143.4-178.346.70000111.6S52 I53 G57 Y61S52-T59 CarbonylContact O-C 3.58Å; S52-T59 VanDerWaalsContact O-CA 3.32Å; S52-T59 WeakPolarHBondContact O-CA 3.4Å; I53-T59 HydrophobicContact CB-CG2 3.94Å; I53-T59 HydrophobicContact CD1-CG2 3.61Å; I53-T59 HydrophobicContact CG1-CG2 3.67Å; G57-T59 PolarHBondContact O-N 3.05Å; T59-Y61 WeakPolarHBondContact OG1-CE2 3.25Å
60Y95.4Very high95.8Very high111 Ų11155.5 Ų55.544%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-121.6133168.6-62.1-72.1000107.8Y35 W49 G51 S52Y35-Y60 HydrophobicContact CD1-CD2 4.1Å; Y35-Y60 HydrophobicContact CD1-CE2 4.18Å; Y35-Y60 AromaticContact CE1-CD2 3.66Å; Y35-Y60 HydrophobicContact CE1-CD2 3.66Å; Y35-Y60 AromaticContact CE1-CE2 3.33Å; Y35-Y60 HydrophobicContact CE1-CE2 3.33Å; Y35-Y60 AromaticContact CZ-CE2 3.81Å; W49-Y60 WeakPolarHBondContact CH2-O 3.38Å; G51-Y60 CarbonylContact C-O 3.59Å; G51-Y60 WeakPolarHBondContact CA-O 3.31Å; S52-Y60 PolarHBondContact N-O 3.36Å; S52-Y60 PolarHBondContact O-N 3.48Å
61Y96.9Very high95.8Very high52 Ų5255.7 Ų55.720%0.20432%0.316CS..EExtended strand (participates in β ladder)trans-123.7149.4-177.4-62.9-69000110.7T59 P63 K66 V69 I71T59-Y61 WeakPolarHBondContact OG1-CE2 3.25Å; Y61-P63 WeakPolarHBondContact O-CD 3.31Å; Y61-K66 HydrophobicContact CD2-CG 4.08Å; Y61-K66 HydrophobicContact CG-CG 4.25Å; Y61-V69 HydrophobicContact CD1-CB 4.32Å; Y61-V69 HydrophobicContact CD1-CG1 3.72Å; Y61-V69 HydrophobicContact CE1-CB 4.49Å; Y61-V69 HydrophobicContact CE1-CG1 3.71Å; Y61-I71 HydrophobicContact CD1-CD1 4.25Å; Y61-I71 HydrophobicContact CE1-CB 4.19Å; Y61-I71 HydrophobicContact CE1-CD1 3.96Å; Y61-I71 HydrophobicContact CE1-CG1 3.92Å; Y61-I71 PolarHBondContact OH-N 3.04Å
62N96.2Very high95.8Very high29 Ų2958.1 Ų58.116%0.15533%0.333CS..  trans-64.2123.1163.8-175.6-31000108.2W49 I50 S64 L65 K66W49-N62 HydrophobicContact CE3-CB 3.79Å; W49-N62 HydrophobicContact CZ3-CB 3.99Å; W49-N62 VanDerWaalsContact O-CB 3.3Å; W49-N62 WeakPolarHBondContact O-CB 3.34Å; W49-N62 PolarHBondContact O-ND2 3.31Å; I50-N62 WeakPolarHBondContact O-CB 3.17Å; I50-N62 PolarHBondContact O-N 3.41Å; N62-S64 PolarHBondContact O-N 3.28Å; N62-S64 VanDerWaalsContact O-N 3.1Å; N62-S64 PolarHBondContact OD1-N 2.82Å; N62-L65 HydrophobicContact CB-CB 4.46Å; N62-L65 HydrophobicContact CB-CD1 4.42Å; N62-L65 PolarHBondContact O-N 3.14Å; N62-K66 PolarHBondContact O-N 3.36Å
63P96.1Very high95.9Very high112 Ų11259.7 Ų59.773%0.72734%0.342SS*.THydrogen-bonded Turntrans-51.9-35.9-178.6-28.635.7000113.7Y61 L65Y61-P63 WeakPolarHBondContact O-CD 3.31Å; P63-L65 VanDerWaalsContact C-N 3.25Å; P63-L65 PolarHBondContact O-N 2.75Å
64S93.8Very high95.9Very high97 Ų9762 Ų6268%0.67835%0.354SS*.THydrogen-bonded Turntrans-69.3-19.6-179.7-59.40000114.1N62N62-S64 PolarHBondContact O-N 3.28Å; N62-S64 VanDerWaalsContact O-N 3.1Å; N62-S64 PolarHBondContact OD1-N 2.82Å
65L94.6Very high95.9Very high7 Ų763.6 Ų63.64%0.03737%0.369CS..THydrogen-bonded Turntrans-114.7-10.3-177-60.3174.7000113.1I50 N62 P63 S67 R68 V69I50-L65 HydrophobicContact CB-CD1 4.36Å; I50-L65 HydrophobicContact CG1-CD1 4.07Å; I50-L65 HydrophobicContact CG2-CD1 4.25Å; N62-L65 HydrophobicContact CB-CB 4.46Å; N62-L65 HydrophobicContact CB-CD1 4.42Å; N62-L65 PolarHBondContact O-N 3.14Å; P63-L65 VanDerWaalsContact C-N 3.25Å; P63-L65 PolarHBondContact O-N 2.75Å; L65-S67 PolarHBondContact O-N 2.82Å; L65-R68 PolarHBondContact O-N 2.85Å; L65-V69 HydrophobicContact CB-CG2 3.78Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.09Å; L65-V69 VanDerWaalsContact O-N 3.14Å
66K94.5Very high96Very high137 Ų13764.5 Ų64.560%0.59639%0.387SS*.THydrogen-bonded Turntrans-54-31.1-171.5-174.1175.5-179.5-178.70114.6Y61 N62 R68Y61-K66 HydrophobicContact CD2-CG 4.08Å; Y61-K66 HydrophobicContact CG-CG 4.25Å; N62-K66 PolarHBondContact O-N 3.36Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.87Å
67S96.4Very high96.2Very high109 Ų10968.2 Ų68.276%0.76239%0.389SS*.THydrogen-bonded Turntrans-74.8-19.1-179.457.20000114.2L65L65-S67 PolarHBondContact O-N 2.82Å
68R96.9Very high96.5Very high57 Ų5767.9 Ų67.922%0.21538%0.378CS..THydrogen-bonded Turntrans-115.7-11.1-175.6-59-171.9-61.1129.5-1.4113.5L65 K66 L84 S85 S86 D91L65-R68 PolarHBondContact O-N 2.85Å; K66-R68 VanDerWaalsContact C-N 3.31Å; K66-R68 PolarHBondContact O-N 2.87Å; R68-L84 HydrophobicContact CB-CD1 3.84Å; R68-L84 WeakPolarHBondContact O-CA 3.08Å; R68-S85 WeakPolarHBondContact CA-OG 3.43Å; R68-S85 PolarHBondContact NH1-O 2.05Å; R68-S85 PolarHBondContact O-N 2.53Å; R68-S85 PolarHBondContact O-OG 3.39Å; R68-S86 PolarHBondContact NH1-O 3.06Å; R68-D91 IonicContact CZ-OD1 3.78Å; R68-D91 IonicContact CZ-OD2 3.76Å; R68-D91 IonicContact NH1-OD1 3.53Å; R68-D91 IonicContact NH1-OD2 2.88Å; R68-D91 PolarHBondContact NH1-OD2 3.33Å; R68-D91 IonicContact NH2-OD1 3.03Å; R68-D91 PolarHBondContact NH2-OD1 2.83Å; R68-D91 IonicContact NH2-OD2 3.69Å
69V98Very high96.6Very high6 Ų665.9 Ų65.94%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-104131.6-172.4171.30000111.2I50 Y61 L65 I71 L82 K83 L84I50-V69 HydrophobicContact CG2-CB 4.45Å; I50-V69 HydrophobicContact CG2-CG1 3.81Å; I50-V69 HydrophobicContact CG2-CG2 3.81Å; Y61-V69 HydrophobicContact CD1-CB 4.32Å; Y61-V69 HydrophobicContact CD1-CG1 3.72Å; Y61-V69 HydrophobicContact CE1-CB 4.49Å; Y61-V69 HydrophobicContact CE1-CG1 3.71Å; L65-V69 HydrophobicContact CB-CG2 3.78Å; L65-V69 WeakPolarHBondContact O-CG2 3.47Å; L65-V69 PolarHBondContact O-N 3.09Å; L65-V69 VanDerWaalsContact O-N 3.14Å; V69-I71 HydrophobicContact CG1-CD1 4.31Å; V69-I71 HydrophobicContact CG1-CG1 3.99Å; V69-L82 HydrophobicContact CG1-CD1 3.6Å; V69-K83 WeakPolarHBondContact CA-O 3.36Å; V69-L84 HydrophobicContact CG2-CD1 3.54Å
70T98.3Very high96.7Very high73 Ų7363.6 Ų63.645%0.44835%0.352SS..EExtended strand (participates in β ladder)trans-125.1125.5166-59.40000108.8K83T70-K83 PolarHBondContact N-O 2.81Å; T70-K83 PolarHBondContact O-N 3.01Å
71I98.4Very high96.9Very high6 Ų659.8 Ų59.83%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-109.2139.3172-61.2169.2000108.3I53 Y61 V69 S81 L82I53-I71 HydrophobicContact CB-CG2 3.63Å; I53-I71 HydrophobicContact CD1-CG2 4.33Å; I53-I71 HydrophobicContact CG2-CG2 3.48Å; I53-I71 VanDerWaalsContact CG2-CG2 3.48Å; Y61-I71 HydrophobicContact CD1-CD1 4.25Å; Y61-I71 HydrophobicContact CE1-CB 4.19Å; Y61-I71 HydrophobicContact CE1-CD1 3.96Å; Y61-I71 HydrophobicContact CE1-CG1 3.92Å; Y61-I71 PolarHBondContact OH-N 3.04Å; V69-I71 HydrophobicContact CG1-CD1 4.31Å; V69-I71 HydrophobicContact CG1-CG1 3.99Å; I71-S81 VanDerWaalsContact CA-O 3.3Å; I71-S81 WeakPolarHBondContact CA-O 3.37Å; I71-S81 WeakPolarHBondContact CG2-O 3.34Å; I71-L82 HydrophobicContact CG1-CD1 3.94Å
72S97.9Very high97Very high52 Ų5257.3 Ų57.336%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-138.2156-179.9-60.40000111.1F80 S81S72-F80 CarbonylContact O-C 3.58Å; S72-F80 WeakPolarHBondContact O-CA 3.3Å; S72-F80 VanDerWaalsContact O-CB 3.32Å; S72-F80 WeakPolarHBondContact O-CB 3.48Å; S72-S81 PolarHBondContact N-O 3.21Å; S72-S81 PolarHBondContact O-N 2.87Å
73V97.7Very high97.1Very high38 Ų3861.3 Ų61.323%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-126.1134.9-179.664.80000109.5I29 I53 T75 F80I29-V73 HydrophobicContact CD1-CG2 3.71Å; I29-V73 HydrophobicContact CG1-CG2 4.16Å; I53-V73 HydrophobicContact CD1-CB 4.04Å; I53-V73 HydrophobicContact CD1-CG1 3.89Å; I53-V73 HydrophobicContact CG1-CB 4.38Å; I53-V73 HydrophobicContact CG1-CG1 4.26Å; I53-V73 HydrophobicContact CG2-CB 4.29Å; V73-T75 HydrophobicContact CG2-CG2 4.28Å; V73-F80 HydrophobicContact CG2-CB 4.47Å
74D97Very high97.2Very high53 Ų5356.1 Ų56.128%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-121.494.8173.5-175-18.2000107.9S76 K77 N78 Q79D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CB 3.31Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.81Å; D74-K77 HydrophobicContact CB-CB 4.47Å; D74-K77 PolarHBondContact O-N 2.95Å; D74-K77 PolarHBondContact OD1-N 3.36Å; D74-K77 WeakPolarHBondContact OD2-CD 3.33Å; D74-K77 WeakPolarHBondContact OD2-CE 3.46Å; D74-K77 WeakPolarHBondContact OD2-CG 3.26Å; D74-K77 IonicContact OD2-NZ 3.53Å; D74-N78 PolarHBondContact O-N 2.86Å; D74-N78 VanDerWaalsContact O-N 3.08Å; D74-Q79 PolarHBondContact N-O 2.88Å; D74-Q79 PolarHBondContact O-N 2.81Å
75T96.4Very high97.4Very high76 Ų7653.5 Ų53.547%0.46630%0.295SS..THydrogen-bonded Turntrans-68-23.7-178.956.70000112.4I29 V73 K77I29-T75 HydrophobicContact CG2-CG2 4.06Å; V73-T75 HydrophobicContact CG2-CG2 4.28Å; T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 2.89Å
76S96Very high97.5Very high103 Ų10356.4 Ų56.472%0.7232%0.316SS*.THydrogen-bonded Turntrans-71-28.8178.3770000112.2D74D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CB 3.31Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.81Å
77K97.3Very high97.7Very high128 Ų12849.9 Ų49.956%0.55729%0.288SS*.THydrogen-bonded Turntrans-103.8-1.1178.4-62.4-177.5-168.3160.50113.8D74 T75 Q79D74-K77 HydrophobicContact CB-CB 4.47Å; D74-K77 PolarHBondContact O-N 2.95Å; D74-K77 PolarHBondContact OD1-N 3.36Å; D74-K77 WeakPolarHBondContact OD2-CD 3.33Å; D74-K77 WeakPolarHBondContact OD2-CE 3.46Å; D74-K77 WeakPolarHBondContact OD2-CG 3.26Å; D74-K77 IonicContact OD2-NZ 3.53Å; T75-K77 VanDerWaalsContact C-N 3.29Å; T75-K77 PolarHBondContact O-N 2.89Å; K77-Q79 VanDerWaalsContact C-N 3.27Å; K77-Q79 HydrophobicContact CB-CB 4.25Å; K77-Q79 HydrophobicContact CB-CG 4.2Å; K77-Q79 WeakPolarHBondContact O-CG 3.49Å; K77-Q79 PolarHBondContact O-N 2.84Å
78N97.4Very high97.7Very high33 Ų3347.9 Ų47.918%0.17627%0.271CS..THydrogen-bonded Turntrans56.343-174.3-146.737.2000112.3V24 G27 I29 D74V24-N78 WeakPolarHBondContact CB-O 3.46Å; V24-N78 PolarHBondContact N-O 2.91Å; V24-N78 PolarHBondContact O-ND2 2.9Å; G27-N78 PolarHBondContact O-ND2 2.86Å; I29-N78 WeakPolarHBondContact CB-OD1 3.48Å; I29-N78 VanDerWaalsContact CG2-OD1 3.29Å; I29-N78 WeakPolarHBondContact CG2-OD1 3.31Å; I29-N78 PolarHBondContact N-OD1 2.95Å; D74-N78 PolarHBondContact O-N 2.86Å; D74-N78 VanDerWaalsContact O-N 3.08Å
79Q98.3Very high97.7Very high55 Ų5548 Ų4826%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-130.6151.4-172.3-79170.514.800111.7T21 C22 T23 I29 D74 K77T21-Q79 HydrophobicContact CG2-CB 4.08Å; T21-Q79 HydrophobicContact CG2-CG 3.95Å; C22-Q79 WeakPolarHBondContact O-CA 3.39Å; T23-Q79 HydrophobicContact CG2-CG 4.32Å; T23-Q79 PolarHBondContact OG1-NE2 2.73Å; I29-Q79 WeakPolarHBondContact CD1-O 3.42Å; D74-Q79 PolarHBondContact N-O 2.88Å; D74-Q79 PolarHBondContact O-N 2.81Å; K77-Q79 VanDerWaalsContact C-N 3.27Å; K77-Q79 HydrophobicContact CB-CB 4.25Å; K77-Q79 HydrophobicContact CB-CG 4.2Å; K77-Q79 WeakPolarHBondContact O-CG 3.49Å; K77-Q79 PolarHBondContact O-N 2.84Å
80F98.3Very high97.6Very high1 Ų151 Ų510%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-134.2149.9164.364.7-73.8000109.9C22 V24 I29 W36 G37 W38 I53 S72 V73 C97C22-F80 HydrophobicContact CB-CD1 3.97Å; C22-F80 HydrophobicContact CB-CE1 3.56Å; C22-F80 HydrophobicContact CB-CE2 4.15Å; C22-F80 HydrophobicContact CB-CG 4.46Å; C22-F80 HydrophobicContact CB-CZ 3.7Å; C22-F80 PolarHBondContact N-O 2.75Å; C22-F80 PolarHBondContact O-N 3.47Å; C22-F80 VanDerWaalsContact O-N 3.11Å; C22-F80 WeakPolarHBondContact SG-CE1 3.32Å; V24-F80 HydrophobicContact CG2-CD1 4.28Å; V24-F80 HydrophobicContact CG2-CE1 4.13Å; I29-F80 HydrophobicContact CD1-CB 4Å; I29-F80 HydrophobicContact CD1-CD1 3.76Å; I29-F80 HydrophobicContact CD1-CG 4.33Å; W36-F80 HydrophobicContact CB-CB 4.49Å; W36-F80 HydrophobicContact CB-CD1 3.79Å; W36-F80 HydrophobicContact CB-CD2 3.78Å; W36-F80 HydrophobicContact CB-CE1 3.75Å; W36-F80 HydrophobicContact CB-CE2 3.76Å; W36-F80 HydrophobicContact CB-CG 3.77Å; W36-F80 HydrophobicContact CB-CZ 3.7Å; W36-F80 HydrophobicContact CD2-CD1 4.42Å; W36-F80 HydrophobicContact CD2-CE1 4.13Å; W36-F80 HydrophobicContact CE3-CD1 4.41Å; W36-F80 AromaticContact CE3-CE1 3.72Å; W36-F80 HydrophobicContact CE3-CE1 3.72Å; W36-F80 HydrophobicContact CE3-CZ 4.18Å; W36-F80 HydrophobicContact CG-CD1 4.17Å; W36-F80 HydrophobicContact CG-CE1 4.17Å; G37-F80 WeakPolarHBondContact O-CE2 3.24Å; W38-F80 AromaticContact CD1-CD2 3.89Å; W38-F80 AromaticContact CD1-CE2 3.82Å; W38-F80 AromaticContact CE2-CE2 3.95Å; W38-F80 HydrophobicContact CG-CE2 4.45Å; W38-F80 AromaticContact NE1-CD2 3.34Å; W38-F80 VanDerWaalsContact NE1-CD2 3.34Å; W38-F80 AromaticContact NE1-CE2 3.48Å; I53-F80 HydrophobicContact CG2-CB 4.23Å; S72-F80 CarbonylContact O-C 3.58Å; S72-F80 WeakPolarHBondContact O-CA 3.3Å; S72-F80 VanDerWaalsContact O-CB 3.32Å; S72-F80 WeakPolarHBondContact O-CB 3.48Å; V73-F80 HydrophobicContact CG2-CB 4.47Å; F80-C97 HydrophobicContact CE1-CB 4.42Å; F80-C97 HydrophobicContact CE2-CB 4.04Å; F80-C97 HydrophobicContact CZ-CB 3.57Å
81S98.4Very high97.5Very high31 Ų3147.6 Ų47.622%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-128.4153.5-17157.70000112.1L20 I71 S72L20-S81 CarbonylContact O-C 3.6Å; L20-S81 WeakPolarHBondContact O-CA 3.39Å; L20-S81 VanDerWaalsContact O-CB 3.23Å; L20-S81 WeakPolarHBondContact O-CB 3.4Å; I71-S81 VanDerWaalsContact CA-O 3.3Å; I71-S81 WeakPolarHBondContact CA-O 3.37Å; I71-S81 WeakPolarHBondContact CG2-O 3.34Å; S72-S81 PolarHBondContact N-O 3.21Å; S72-S81 PolarHBondContact O-N 2.87Å
82L98.7Very high97.5Very high1 Ų148.6 Ų48.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-117.3126.7172172.467.7000107.9S19 L20 W38 I50 V69 I71 Y95S19-L82 CarbonylContact C-O 3.58Å; S19-L82 WeakPolarHBondContact CA-O 3.43Å; L20-L82 HydrophobicContact CB-CB 4.37Å; L20-L82 HydrophobicContact CD1-CD2 4.35Å; L20-L82 PolarHBondContact N-O 2.89Å; L20-L82 PolarHBondContact O-N 2.89Å; W38-L82 HydrophobicContact CB-CD2 4.19Å; W38-L82 HydrophobicContact CD2-CB 3.8Å; W38-L82 HydrophobicContact CD2-CD2 4.12Å; W38-L82 HydrophobicContact CE3-CD2 4.33Å; W38-L82 HydrophobicContact CG-CB 3.83Å; W38-L82 HydrophobicContact CG-CD2 4.08Å; W38-L82 HydrophobicContact CG-CG 4.38Å; W38-L82 HydrophobicContact CZ2-CB 4.21Å; I50-L82 HydrophobicContact CD1-CD2 3.84Å; I50-L82 HydrophobicContact CG2-CD1 3.94Å; V69-L82 HydrophobicContact CG1-CD1 3.6Å; I71-L82 HydrophobicContact CG1-CD1 3.94Å; L82-Y95 HydrophobicContact CD2-CD1 3.95Å; L82-Y95 HydrophobicContact CD2-CE1 4.1Å
83K98.6Very high97.5Very high112 Ų11246.1 Ų46.149%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-110.7128.2162.1-67.6-174.8176.4-178.90108.9T17 L18 V69 T70T17-K83 HydrophobicContact CG2-CB 4.27Å; L18-K83 CarbonylContact O-C 3.58Å; L18-K83 VanDerWaalsContact O-CA 3.3Å; L18-K83 WeakPolarHBondContact O-CA 3Å; V69-K83 WeakPolarHBondContact CA-O 3.36Å; T70-K83 PolarHBondContact N-O 2.81Å; T70-K83 PolarHBondContact O-N 3.01Å
84L98.3Very high97.6Very high3 Ų346.2 Ų46.22%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-121.2111.1173.4178.566.7000108T17 L18 R68 V69 V87 D91T17-L84 CarbonylContact C-O 3.51Å; T17-L84 WeakPolarHBondContact CA-O 2.98Å; L18-L84 HydrophobicContact CB-CB 4.33Å; L18-L84 PolarHBondContact N-O 3.16Å; L18-L84 PolarHBondContact O-N 3.3Å; R68-L84 HydrophobicContact CB-CD1 3.84Å; R68-L84 WeakPolarHBondContact O-CA 3.08Å; V69-L84 HydrophobicContact CG2-CD1 3.54Å; L84-V87 HydrophobicContact CB-CG1 4.4Å; L84-V87 HydrophobicContact CD2-CG1 4.06Å; L84-V87 HydrophobicContact CG-CG1 3.99Å; L84-V87 WeakPolarHBondContact O-CG1 3.38Å; L84-D91 HydrophobicContact CD2-CB 3.94Å
85S98.1Very high97.7Very high42 Ų4243.7 Ų43.729%0.29427%0.265SS..  trans-84.9158.3-179.461.50000112R68 V87R68-S85 WeakPolarHBondContact CA-OG 3.43Å; R68-S85 PolarHBondContact NH1-O 2.05Å; R68-S85 PolarHBondContact O-N 2.53Å; R68-S85 PolarHBondContact O-OG 3.39Å; S85-V87 VanDerWaalsContact C-N 3.33Å; S85-V87 PolarHBondContact O-N 2.84Å
86S96.8Very high97.8Very high68 Ų6842.1 Ų42.148%0.47625%0.251SS..SBendtrans50.853.5175.2-56.40000111.6E16 R68E16-S86 PolarHBondContact O-N 2.82Å; R68-S86 PolarHBondContact NH1-O 3.06Å
87V97.8Very high97.9Very high1 Ų137.2 Ų37.21%0.00622%0.217CC..  trans-66.1148.6-177.2-61.30000111.5V12 K13 P14 S15 E16 L18 L84 S85 D91 V119V12-V87 HydrophobicContact CB-CG2 4.47Å; V12-V87 HydrophobicContact CG1-CG2 3.79Å; K13-V87 VanDerWaalsContact O-CG2 3.31Å; K13-V87 WeakPolarHBondContact O-CG2 3.19Å; P14-V87 WeakPolarHBondContact CA-O 3.44Å; S15-V87 PolarHBondContact N-O 3.4Å; E16-V87 PolarHBondContact O-N 2.87Å; E16-V87 VanDerWaalsContact O-N 3.12Å; L18-V87 HydrophobicContact CB-CG1 3.78Å; L84-V87 HydrophobicContact CB-CG1 4.4Å; L84-V87 HydrophobicContact CD2-CG1 4.06Å; L84-V87 HydrophobicContact CG-CG1 3.99Å; L84-V87 WeakPolarHBondContact O-CG1 3.38Å; S85-V87 VanDerWaalsContact C-N 3.33Å; S85-V87 PolarHBondContact O-N 2.84Å; V87-D91 WeakPolarHBondContact CA-OD2 3.43Å; V87-D91 HydrophobicContact CB-CB 4.38Å; V87-V119 HydrophobicContact CB-CG1 4.48Å; V87-V119 HydrophobicContact CB-CG2 4.1Å; V87-V119 HydrophobicContact CG2-CG1 3.93Å; V87-V119 HydrophobicContact CG2-CG2 4.04Å
88T97.1Very high97.9Very high66 Ų6631.1 Ų31.141%0.40519%0.19SC..  trans-126.4168.6178.264.80000109.9A90 D91 V119T88-A90 PolarHBondContact O-N 2.86Å; T88-A90 PolarHBondContact OG1-N 2.87Å; T88-D91 PolarHBondContact N-OD2 2.8Å; T88-D91 WeakPolarHBondContact O-CB 3.29Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 PolarHBondContact OG1-OD2 3.24Å; T88-V119 WeakPolarHBondContact O-CB 3.22Å; T88-V119 WeakPolarHBondContact O-CG1 3.48Å; T88-V119 WeakPolarHBondContact O-CG2 3.47Å
89A96.8Very high97.9Very high60 Ų6030.9 Ų30.950%0.49619%0.187SC..G310 helixtrans-52.5-30.3174.100000112.9D91 T92A89-D91 PolarHBondContact O-N 2.88Å; A89-T92 VanDerWaalsContact O-CB 3.3Å; A89-T92 WeakPolarHBondContact O-CB 3.17Å; A89-T92 PolarHBondContact O-N 2.87Å; A89-T92 VanDerWaalsContact O-N 3.16Å; A89-T92 PolarHBondContact O-OG1 3.39Å; A89-T92 VanDerWaalsContact O-OG1 3.1Å
90A95.6Very high97.7Very high69 Ų6929 Ų2957%0.5718%0.178SC*.G310 helixtrans-68.8-15.617700000114.2T88 T92T88-A90 PolarHBondContact O-N 2.86Å; T88-A90 PolarHBondContact OG1-N 2.87Å; A90-T92 VanDerWaalsContact C-N 3.29Å
91D97.5Very high97.4Very high2 Ų230.7 Ų30.71%0.01119%0.189CC..G310 helixtrans-87.42175.2-58.2-58.3000112.1R40 R68 L84 V87 T88 A89 A93 Y95 V119R40-D91 IonicContact CZ-OD1 3.76Å; R40-D91 IonicContact NH1-OD1 2.73Å; R40-D91 PolarHBondContact NH1-OD1 2.85Å; R40-D91 IonicContact NH2-OD1 3.97Å; R68-D91 IonicContact CZ-OD1 3.78Å; R68-D91 IonicContact CZ-OD2 3.76Å; R68-D91 IonicContact NH1-OD1 3.53Å; R68-D91 IonicContact NH1-OD2 2.88Å; R68-D91 PolarHBondContact NH1-OD2 3.33Å; R68-D91 IonicContact NH2-OD1 3.03Å; R68-D91 PolarHBondContact NH2-OD1 2.83Å; R68-D91 IonicContact NH2-OD2 3.69Å; L84-D91 HydrophobicContact CD2-CB 3.94Å; V87-D91 WeakPolarHBondContact CA-OD2 3.43Å; V87-D91 HydrophobicContact CB-CB 4.38Å; T88-D91 PolarHBondContact N-OD2 2.8Å; T88-D91 WeakPolarHBondContact O-CB 3.29Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 PolarHBondContact OG1-OD2 3.24Å; A89-D91 PolarHBondContact O-N 2.88Å; D91-A93 PolarHBondContact O-N 2.94Å; D91-Y95 WeakPolarHBondContact O-CE2 3.23Å; D91-Y95 PolarHBondContact O-OH 2.83Å; D91-V119 HydrophobicContact CB-CG2 4.34Å
92T98.4Very high96.6Very high27 Ų2731.2 Ų31.217%0.16620%0.195CC..  trans-64.9119.2168-64.20000110.1P43 A89 A90 V117 V119P43-T92 VanDerWaalsContact CD-O 3.25Å; P43-T92 WeakPolarHBondContact CD-O 3.29Å; P43-T92 HydrophobicContact CG-CG2 4.41Å; A89-T92 VanDerWaalsContact O-CB 3.3Å; A89-T92 WeakPolarHBondContact O-CB 3.17Å; A89-T92 PolarHBondContact O-N 2.87Å; A89-T92 VanDerWaalsContact O-N 3.16Å; A89-T92 PolarHBondContact O-OG1 3.39Å; A89-T92 VanDerWaalsContact O-OG1 3.1Å; A90-T92 VanDerWaalsContact C-N 3.29Å; T92-V117 WeakPolarHBondContact CA-O 3.32Å; T92-V119 PolarHBondContact OG1-N 3.39Å
93A98.4Very high95.7Very high0 Ų033.2 Ų33.20%022%0.216CC..EExtended strand (participates in β ladder)trans-166.3165.8-176.400000111.3R40 Q41 P42 D91 Y95 V117R40-A93 HydrophobicContact CB-CB 3.85Å; R40-A93 HydrophobicContact CG-CB 4.41Å; Q41-A93 WeakPolarHBondContact O-CA 3.4Å; Q41-A93 WeakPolarHBondContact O-CB 3.37Å; P42-A93 HydrophobicContact CG-CB 4.34Å; D91-A93 PolarHBondContact O-N 2.94Å; A93-Y95 HydrophobicContact CB-CD2 4.2Å; A93-Y95 HydrophobicContact CB-CE2 3.76Å; A93-Y95 WeakPolarHBondContact O-CD2 3.4Å; A93-V117 PolarHBondContact N-O 3.42Å; A93-V117 VanDerWaalsContact N-O 3.13Å; A93-V117 PolarHBondContact O-N 3.3Å
94V98.7Very high94.5Very high39 Ų3934.7 Ų34.724%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-81.8125.5157.6-172.20000108.1R40 Q41 Y96 T115 L116R40-V94 CarbonylContact C-O 3.59Å; R40-V94 VanDerWaalsContact CA-O 3.24Å; R40-V94 WeakPolarHBondContact CA-O 3.3Å; Q41-V94 PolarHBondContact N-O 3.48Å; Q41-V94 PolarHBondContact O-N 3.44Å; V94-Y96 HydrophobicContact CB-CE2 3.81Å; V94-Y96 HydrophobicContact CG1-CD1 4.48Å; V94-Y96 HydrophobicContact CG1-CD2 4.38Å; V94-Y96 HydrophobicContact CG1-CE1 3.79Å; V94-Y96 HydrophobicContact CG1-CE2 3.67Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.43Å; V94-T115 CarbonylContact C-O 3.55Å; V94-T115 WeakPolarHBondContact CA-O 3.44Å; V94-L116 HydrophobicContact CG2-CD1 4.16Å
95Y98.7Very high93.6Very high0 Ų039.9 Ų39.90%027%0.267CS..EExtended strand (participates in β ladder)trans-103.3126.2179.3-73.2-101.1000109.7L18 L20 I39 R40 I50 L82 D91 A93 G114 T115 V117L18-Y95 HydrophobicContact CD2-CE1 4.17Å; L18-Y95 HydrophobicContact CD2-CE2 4.1Å; L20-Y95 VanDerWaalsContact CD1-CB 3.43Å; L20-Y95 HydrophobicContact CD1-CD1 3.71Å; L20-Y95 HydrophobicContact CD1-CD2 4.17Å; L20-Y95 HydrophobicContact CD1-CG 3.51Å; I39-Y95 CarbonylContact O-C 3.48Å; I39-Y95 WeakPolarHBondContact O-CA 3.15Å; R40-Y95 HydrophobicContact CB-CD1 3.88Å; R40-Y95 HydrophobicContact CB-CE1 3.87Å; R40-Y95 HydrophobicContact CB-CG 4.26Å; R40-Y95 HydrophobicContact CG-CE1 4.47Å; I50-Y95 HydrophobicContact CD1-CD1 3.8Å; I50-Y95 HydrophobicContact CD1-CE1 3.65Å; L82-Y95 HydrophobicContact CD2-CD1 3.95Å; L82-Y95 HydrophobicContact CD2-CE1 4.1Å; D91-Y95 WeakPolarHBondContact O-CE2 3.23Å; D91-Y95 PolarHBondContact O-OH 2.83Å; A93-Y95 HydrophobicContact CB-CD2 4.2Å; A93-Y95 HydrophobicContact CB-CE2 3.76Å; A93-Y95 WeakPolarHBondContact O-CD2 3.4Å; Y95-G114 CarbonylContact O-C 3.57Å; Y95-G114 WeakPolarHBondContact O-CA 3.39Å; Y95-T115 PolarHBondContact N-O 3.5Å; Y95-T115 PolarHBondContact O-N 3.04Å; Y95-V117 HydrophobicContact CD2-CB 3.9Å; Y95-V117 HydrophobicContact CD2-CG2 3.7Å; Y95-V117 HydrophobicContact CE2-CB 3.83Å; Y95-V117 HydrophobicContact CE2-CG2 4.07Å
96Y98.7Very high92.8Very high43 Ų4342.8 Ų42.817%0.16927%0.271CS..EExtended strand (participates in β ladder)trans-114140.3-179.6-55.6-87.6000110.1E6 W38 I39 Q41 L47 V94 W111 G114E6-Y96 VanDerWaalsContact OE1-CA 3.31Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.35Å; W38-Y96 WeakPolarHBondContact CA-O 3.41Å; I39-Y96 PolarHBondContact N-O 2.94Å; I39-Y96 PolarHBondContact O-N 3Å; Q41-Y96 HydrophobicContact CB-CE2 3.96Å; L47-Y96 HydrophobicContact CD2-CD2 4.19Å; L47-Y96 HydrophobicContact CD2-CE2 4.12Å; V94-Y96 HydrophobicContact CB-CE2 3.81Å; V94-Y96 HydrophobicContact CG1-CD1 4.48Å; V94-Y96 HydrophobicContact CG1-CD2 4.38Å; V94-Y96 HydrophobicContact CG1-CE1 3.79Å; V94-Y96 HydrophobicContact CG1-CE2 3.67Å; V94-Y96 WeakPolarHBondContact CG1-OH 3.43Å; Y96-W111 HydrophobicContact CD1-CE3 4.45Å; Y96-W111 HydrophobicContact CD2-CZ3 4.49Å; Y96-W111 HydrophobicContact CG-CE3 4.16Å; Y96-W111 HydrophobicContact CG-CZ3 4.15Å; Y96-G114 VanDerWaalsContact CD1-CA 3.43Å
97C97.9Very high92.5Very high0 Ų042 Ų420%027%0.265CS..EExtended strand (participates in β ladder)trans-97.9146.3163.365.70000111E6 C22 G37 W38 F80 W111 G112E6-C97 HydrophobicContact CG-CB 4.09Å; E6-C97 VanDerWaalsContact CG-SG 3.57Å; E6-C97 PolarHBondContact OE1-N 3.06Å; E6-C97 PolarHBondContact OE1-SG 3.32Å; E6-C97 VanDerWaalsContact OE1-SG 3.36Å; C22-C97 HydrophobicContact CB-CB 3.34Å; C22-C97 WeakPolarHBondContact CB-SG 3.43Å; C22-C97 WeakPolarHBondContact SG-CB 3.46Å; C22-C97 CovalentContact SG-SG 2.05Å; C22-C97 PolarHBondContact SG-SG 3.4Å; G37-C97 CarbonylContact O-C 3.48Å; G37-C97 WeakPolarHBondContact O-CA 3.36Å; W38-C97 HydrophobicContact CD2-CB 4.46Å; W38-C97 HydrophobicContact CE3-CB 4.23Å; W38-C97 HydrophobicContact CH2-CB 4.18Å; W38-C97 HydrophobicContact CZ2-CB 4.41Å; W38-C97 HydrophobicContact CZ3-CB 4.08Å; F80-C97 HydrophobicContact CE1-CB 4.42Å; F80-C97 HydrophobicContact CE2-CB 4.04Å; F80-C97 HydrophobicContact CZ-CB 3.57Å; C97-W111 CarbonylContact O-C 3.49Å; C97-G112 PolarHBondContact O-N 3.41Å
98A97.7Very high92.2Very high0 Ų045 Ų450%028%0.28CS..EExtended strand (participates in β ladder)trans-142.1153.3-172.200000111.7G37 I39 I108 Y110 W111G37-A98 PolarHBondContact N-O 3.33Å; G37-A98 PolarHBondContact O-N 3.11Å; I39-A98 HydrophobicContact CD1-CB 3.97Å; A98-I108 HydrophobicContact CB-CG2 3.8Å; A98-Y110 CarbonylContact C-O 3.6Å; A98-Y110 VanDerWaalsContact CA-O 3.26Å; A98-Y110 WeakPolarHBondContact CA-O 3.19Å; A98-W111 HydrophobicContact CB-CD2 4.49Å; A98-W111 HydrophobicContact CB-CE3 4.46Å
99R96.6Very high91.9Very high28 Ų2845.2 Ų45.211%0.10628%0.278CS..EExtended strand (participates in β ladder)trans-107.8125.6169.7-167.3-17076.8174.38.8109.8Y34 W36 I108 D109 Y110Y34-R99 HydrophobicContact CD1-CG 4.15Å; Y34-R99 HydrophobicContact CG-CG 3.94Å; W36-R99 HydrophobicContact CE3-CB 4.04Å; W36-R99 HydrophobicContact CE3-CG 4.01Å; W36-R99 HydrophobicContact CH2-CB 4.25Å; W36-R99 HydrophobicContact CH2-CG 3.71Å; W36-R99 HydrophobicContact CZ2-CG 4.18Å; W36-R99 HydrophobicContact CZ3-CB 3.66Å; W36-R99 HydrophobicContact CZ3-CG 3.59Å; R99-I108 WeakPolarHBondContact O-CA 3.43Å; R99-D109 IonicContact NH2-OD2 3.39Å; R99-D109 PolarHBondContact NH2-OD2 2.83Å; R99-D109 PolarHBondContact O-N 2.85Å; R99-D109 VanDerWaalsContact O-N 3.09Å; R99-Y110 VanDerWaalsContact CZ-CE2 3.41Å; R99-Y110 PolarHBondContact N-O 2.74Å
100L94.7Very high91.8Very high15 Ų1546.7 Ų46.78%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-107.8135.7175.8-57.691.8000109.6Y34 Y35 W106 P107 I108Y34-L100 CarbonylContact C-O 3.58Å; Y34-L100 VanDerWaalsContact CA-O 3.29Å; Y34-L100 WeakPolarHBondContact CA-O 3.49Å; Y35-L100 PolarHBondContact N-O 3.36Å; Y35-L100 PolarHBondContact O-N 3.28Å; L100-W106 HydrophobicContact CB-CE3 4.39Å; L100-W106 HydrophobicContact CD2-CB 4.43Å; L100-P107 VanDerWaalsContact CA-O 3.31Å; L100-P107 WeakPolarHBondContact CA-O 3.36Å; L100-I108 HydrophobicContact CD2-CG1 4.17Å; L100-I108 HydrophobicContact CG-CG1 4.06Å
101T91.6Very high91.8Very high37 Ų3748 Ų4823%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-87.2130.3173.1-70.60000110.4A33 G103 P107 D109A33-T101 WeakPolarHBondContact O-CA 3.34Å; T101-G103 PolarHBondContact O-N 2.94Å; T101-P107 PolarHBondContact N-O 3.37Å; T101-D109 WeakPolarHBondContact CB-OD2 3.34Å; T101-D109 PolarHBondContact OG1-OD2 2.79Å
102A83.3Confident91.9Very high42 Ų4248.2 Ų48.235%0.34726%0.264SS..SBendtrans-64.1124.6176.600000110A33 Y35 W106A33-A102 WeakPolarHBondContact O-CB 3.34Å; A33-A102 PolarHBondContact O-N 3.03Å; Y35-A102 HydrophobicContact CD2-CB 4.46Å; Y35-A102 HydrophobicContact CE2-CB 4.39Å; A102-W106 HydrophobicContact CB-CH2 4.14Å; A102-W106 HydrophobicContact CB-CZ3 4.02Å
103G79.3Confident91.8Very high43 Ų4354.4 Ų54.444%0.44329%0.292SS..SBendtrans173.4-170-175.500000111.5T101 T105 W106T101-G103 PolarHBondContact O-N 2.94Å; G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 3.04Å; G103-W106 PolarHBondContact O-NE1 2.79Å
104T72Confident91.8Very high143 Ų14355.4 Ų55.488%0.87730%0.302SS*.SBendtrans-70.6-28.6-177.851.10000113.2
105T79.2Confident91.8Very high113 Ų11354.9 Ų54.969%0.69330%0.299SS*.SBendtrans-113.5-4.5-172.453.90000114.8G103G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 3.04Å
106W82.7Confident91.7Very high103 Ų10359.7 Ų59.739%0.3932%0.324SS..  trans45.551.8179.6-63.693.7000114.4Y35 L100 A102 G103Y35-W106 HydrophobicContact CD1-CZ3 4.34Å; Y35-W106 HydrophobicContact CD2-CE3 4.43Å; Y35-W106 AromaticContact CD2-CH2 3.69Å; Y35-W106 HydrophobicContact CD2-CH2 3.69Å; Y35-W106 AromaticContact CD2-CZ3 3.26Å; Y35-W106 HydrophobicContact CD2-CZ3 3.26Å; Y35-W106 HydrophobicContact CE1-CH2 4.4Å; Y35-W106 AromaticContact CE2-CH2 3.37Å; Y35-W106 HydrophobicContact CE2-CH2 3.37Å; Y35-W106 AromaticContact CE2-CZ3 3.5Å; Y35-W106 HydrophobicContact CE2-CZ3 3.5Å; Y35-W106 HydrophobicContact CG-CH2 4.28Å; Y35-W106 AromaticContact CG-CZ3 3.69Å; Y35-W106 HydrophobicContact CG-CZ3 3.69Å; Y35-W106 AromaticContact CZ-CH2 3.75Å; L100-W106 HydrophobicContact CB-CE3 4.39Å; L100-W106 HydrophobicContact CD2-CB 4.43Å; A102-W106 HydrophobicContact CB-CH2 4.14Å; A102-W106 HydrophobicContact CB-CZ3 4.02Å; G103-W106 PolarHBondContact O-NE1 2.79Å
107P89.9Confident91.7Very high52 Ų5257.6 Ų57.634%0.33832%0.316SS..  trans-64.2143-176.229.7-35.2000110.7L100 T101L100-P107 VanDerWaalsContact CA-O 3.31Å; L100-P107 WeakPolarHBondContact CA-O 3.36Å; T101-P107 PolarHBondContact N-O 3.37Å
108I92.3Very high91.7Very high64 Ų6460.2 Ų60.233%0.32833%0.332SS..EExtended strand (participates in β ladder)trans-90.4112.4171.5-56168.9000107.9I39 A98 R99 L100 Y110 W111I39-I108 HydrophobicContact CD1-CD1 3.67Å; A98-I108 HydrophobicContact CB-CG2 3.8Å; R99-I108 WeakPolarHBondContact O-CA 3.43Å; L100-I108 HydrophobicContact CD2-CG1 4.17Å; L100-I108 HydrophobicContact CG-CG1 4.06Å; I108-Y110 WeakPolarHBondContact CG2-O 3.3Å; I108-W111 HydrophobicContact CB-CZ2 4.41Å; I108-W111 HydrophobicContact CD1-CH2 4.09Å; I108-W111 HydrophobicContact CD1-CZ2 3.48Å; I108-W111 VanDerWaalsContact CD1-CZ2 3.48Å; I108-W111 HydrophobicContact CG2-CD2 4.22Å; I108-W111 HydrophobicContact CG2-CG 4.33Å; I108-W111 HydrophobicContact CG2-CZ2 4.02Å
109D89.8Confident91.8Very high69 Ų6960.6 Ų60.637%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-99-19.2-176.5-50-40.5000112.6R99 T101R99-D109 IonicContact NH2-OD2 3.39Å; R99-D109 PolarHBondContact NH2-OD2 2.83Å; R99-D109 PolarHBondContact O-N 2.85Å; R99-D109 VanDerWaalsContact O-N 3.09Å; T101-D109 WeakPolarHBondContact CB-OD2 3.34Å; T101-D109 PolarHBondContact OG1-OD2 2.79Å
110Y94.5Very high91.6Very high92 Ų9261.2 Ų61.236%0.36134%0.343SS..EExtended strand (participates in β ladder)trans-143.6144.7-179-69.5-91.7000111.7L2 A98 R99 I108L2-Y110 HydrophobicContact CB-CD1 4.2Å; L2-Y110 HydrophobicContact CB-CE1 3.91Å; L2-Y110 HydrophobicContact CD2-CD1 3.87Å; L2-Y110 HydrophobicContact CD2-CD2 3.58Å; L2-Y110 HydrophobicContact CD2-CE1 4.1Å; L2-Y110 HydrophobicContact CD2-CE2 3.84Å; L2-Y110 HydrophobicContact CD2-CG 3.6Å; L2-Y110 HydrophobicContact CG-CD1 4.3Å; L2-Y110 HydrophobicContact CG-CE1 4.46Å; L2-Y110 HydrophobicContact CG-CG 4.46Å; A98-Y110 CarbonylContact C-O 3.6Å; A98-Y110 VanDerWaalsContact CA-O 3.26Å; A98-Y110 WeakPolarHBondContact CA-O 3.19Å; R99-Y110 VanDerWaalsContact CZ-CE2 3.41Å; R99-Y110 PolarHBondContact N-O 2.74Å; I108-Y110 WeakPolarHBondContact CG2-O 3.3Å
111W97.1Very high90.9Very high96 Ų9668.4 Ų68.436%0.36439%0.394SS..EExtended strand (participates in β ladder)trans-129.7145.5178-69.982.2000109.8I39 L47 Y96 C97 A98 I108I39-W111 HydrophobicContact CB-CH2 4.37Å; I39-W111 HydrophobicContact CB-CZ3 4.09Å; I39-W111 HydrophobicContact CD1-CE3 4.48Å; I39-W111 HydrophobicContact CD1-CH2 3.24Å; I39-W111 HydrophobicContact CD1-CZ2 3.97Å; I39-W111 HydrophobicContact CD1-CZ3 3.55Å; I39-W111 HydrophobicContact CG1-CH2 4.35Å; I39-W111 HydrophobicContact CG1-CZ3 4.38Å; I39-W111 HydrophobicContact CG2-CH2 4.11Å; I39-W111 HydrophobicContact CG2-CZ3 4.11Å; L47-W111 HydrophobicContact CD1-CH2 4.01Å; L47-W111 HydrophobicContact CD2-CH2 4.46Å; L47-W111 HydrophobicContact CD2-CZ3 4.44Å; Y96-W111 HydrophobicContact CD1-CE3 4.45Å; Y96-W111 HydrophobicContact CD2-CZ3 4.49Å; Y96-W111 HydrophobicContact CG-CE3 4.16Å; Y96-W111 HydrophobicContact CG-CZ3 4.15Å; C97-W111 CarbonylContact O-C 3.49Å; A98-W111 HydrophobicContact CB-CD2 4.49Å; A98-W111 HydrophobicContact CB-CE3 4.46Å; I108-W111 HydrophobicContact CB-CZ2 4.41Å; I108-W111 HydrophobicContact CD1-CH2 4.09Å; I108-W111 HydrophobicContact CD1-CZ2 3.48Å; I108-W111 VanDerWaalsContact CD1-CZ2 3.48Å; I108-W111 HydrophobicContact CG2-CD2 4.22Å; I108-W111 HydrophobicContact CG2-CG 4.33Å; I108-W111 HydrophobicContact CG2-CZ2 4.02Å
112G97.8Very high90.9Very high6 Ų670 Ų706%0.06240%0.403CS..  trans-76.9170.6159.600000111.3L4 E6 C97 G114L4-G112 VanDerWaalsContact O-CA 3.28Å; L4-G112 WeakPolarHBondContact O-CA 3.17Å; E6-G112 VanDerWaalsContact OE1-CA 3.25Å; E6-G112 WeakPolarHBondContact OE1-CA 3.24Å; C97-G112 PolarHBondContact O-N 3.41Å; G112-G114 PolarHBondContact O-N 2.82Å
113Q97Very high91.3Very high157 Ų15771.4 Ų71.473%0.73441%0.406SS*.  trans-73.9-17.8-179.5-64.2-60.2-54.200112.1E6E6-Q113 PolarHBondContact OE2-N 3.32Å
114G97.9Very high92Very high22 Ų2273 Ų7323%0.22740%0.404CS..  trans88.1154.7-177.900000113E6 Y95 Y96 G112E6-G114 PolarHBondContact OE1-N 3.08Å; E6-G114 PolarHBondContact OE2-N 3.36Å; E6-G114 VanDerWaalsContact OE2-N 3.14Å; Y95-G114 CarbonylContact O-C 3.57Å; Y95-G114 WeakPolarHBondContact O-CA 3.39Å; Y96-G114 VanDerWaalsContact CD1-CA 3.43Å; G112-G114 PolarHBondContact O-N 2.82Å
115T98.4Very high93.2Very high28 Ų2868.9 Ų68.917%0.17238%0.376CS..EExtended strand (participates in β ladder)trans-127.8130.3174.5-173.80000110.4E6 L20 V94 Y95 V117E6-T115 HydrophobicContact CB-CG2 3.75Å; E6-T115 HydrophobicContact CG-CG2 4.46Å; L20-T115 HydrophobicContact CD1-CG2 4.24Å; L20-T115 HydrophobicContact CD2-CG2 4.06Å; V94-T115 CarbonylContact C-O 3.55Å; V94-T115 WeakPolarHBondContact CA-O 3.44Å; Y95-T115 PolarHBondContact N-O 3.5Å; Y95-T115 PolarHBondContact O-N 3.04Å; T115-V117 HydrophobicContact CG2-CG2 4.44Å
116L98.4Very high94Very high100 Ų10066.1 Ų66.152%0.52436%0.356SS..EExtended strand (participates in β ladder)trans-76.8124.8175.117763.4000109.3V94V94-L116 HydrophobicContact CG2-CD1 4.16Å
117V98.4Very high94.8Very high0 Ų063.7 Ų63.70%035%0.354CS..EExtended strand (participates in β ladder)trans-116.3126.5169.5-177.60000108.6V12 L18 L20 T92 A93 Y95 T115V12-V117 HydrophobicContact CG2-CG1 4.17Å; L18-V117 HydrophobicContact CD1-CG1 3.79Å; L18-V117 HydrophobicContact CD1-CG2 4.06Å; L18-V117 HydrophobicContact CD2-CB 4.45Å; L18-V117 HydrophobicContact CD2-CG1 3.98Å; L18-V117 HydrophobicContact CD2-CG2 4.3Å; L18-V117 HydrophobicContact CG-CG1 4.49Å; L20-V117 HydrophobicContact CD1-CG2 4.33Å; L20-V117 HydrophobicContact CD2-CG2 3.99Å; T92-V117 WeakPolarHBondContact CA-O 3.32Å; A93-V117 PolarHBondContact N-O 3.42Å; A93-V117 VanDerWaalsContact N-O 3.13Å; A93-V117 PolarHBondContact O-N 3.3Å; Y95-V117 HydrophobicContact CD2-CB 3.9Å; Y95-V117 HydrophobicContact CD2-CG2 3.7Å; Y95-V117 HydrophobicContact CE2-CB 3.83Å; Y95-V117 HydrophobicContact CE2-CG2 4.07Å; T115-V117 HydrophobicContact CG2-CG2 4.44Å
118T98.3Very high95.1Very high55 Ų5564.5 Ų64.534%0.33736%0.355SS..EExtended strand (participates in β ladder)trans-105.2132.9172.9-53.70000109.6G10 L11 V12G10-T118 PolarHBondContact O-N 2.78Å; L11-T118 CarbonylContact C-O 3.6Å; L11-T118 VanDerWaalsContact CA-O 3.3Å; L11-T118 WeakPolarHBondContact CA-O 3.29Å; L11-T118 HydrophobicContact CD1-CG2 3.91Å; V12-T118 PolarHBondContact N-O 3.23Å
119V97.8Very high95.3Very high7 Ų764.5 Ų64.54%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-102.8117.9167.8-175.20000107.5V12 P14 V87 T88 D91 T92V12-V119 VanDerWaalsContact O-CA 3.29Å; V12-V119 WeakPolarHBondContact O-CA 3.22Å; P14-V119 HydrophobicContact CG-CG1 4.34Å; V87-V119 HydrophobicContact CB-CG1 4.48Å; V87-V119 HydrophobicContact CB-CG2 4.1Å; V87-V119 HydrophobicContact CG2-CG1 3.93Å; V87-V119 HydrophobicContact CG2-CG2 4.04Å; T88-V119 WeakPolarHBondContact O-CB 3.22Å; T88-V119 WeakPolarHBondContact O-CG1 3.48Å; T88-V119 WeakPolarHBondContact O-CG2 3.47Å; D91-V119 HydrophobicContact CB-CG2 4.34Å; T92-V119 PolarHBondContact OG1-N 3.39Å
120S93.4Very high95.8Very high41 Ų4164.2 Ų64.229%0.28736%0.356SS..  trans-63.4146.3-178.663.70000110.7V12 P14V12-S120 PolarHBondContact O-N 2.59Å; P14-S120 WeakPolarHBondContact CD-O 3.4Å; P14-S120 WeakPolarHBondContact CG-O 3.35Å
121S80.7Confident95.9Very high166 Ų16661.6 Ų61.6100%1.16136%0.355SS*.  trans-79.90172.357.90000112.2

Retrieved 121 of 121 residues in 112.7 ms (Link to these results)

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