A0A077ZA80_TRITR Loading...

Probable RNA-binding protein orb2

AlphaFold DB , UniProt , Accession A0A077ZA80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M46.4Very low81.5Confident241 Ų241132.3 Ų132.3100%1.18768%0.678SS**  0113.90-135.9175.9-72.400107.8
2K71Confident82.2Confident178 Ų178127.1 Ų127.177%0.77467%0.67SS**  trans-74.3127.1167.4-68.5-175.7-175.5179.70106E171K2-E171 IonicContact NZ-OE1 2.83Å; K2-E171 IonicContact NZ-OE2 3.31Å; K2-E171 PolarHBondContact NZ-OE2 2.99Å
3G78.1Confident83Confident76 Ų76125.8 Ų125.878%0.78466%0.663SS**  trans-124.8155.7178.900000109.5
4F85.2Confident83.8Confident176 Ų176119.7 Ų119.777%0.77264%0.636SS**  trans-135.4157.5174.758.2-89.3000109.1F6F4-F6 HydrophobicContact CD2-CE1 4.48Å; F4-F6 AromaticContact CD2-CE2 3.86Å; F4-F6 HydrophobicContact CD2-CE2 3.86Å; F4-F6 AromaticContact CD2-CZ 3.81Å; F4-F6 HydrophobicContact CD2-CZ 3.81Å; F4-F6 AromaticContact CE2-CE2 3.52Å; F4-F6 HydrophobicContact CE2-CE2 3.52Å; F4-F6 AromaticContact CE2-CZ 3.58Å; F4-F6 HydrophobicContact CE2-CZ 3.58Å
5V87.4Confident84.4Confident120 Ų120114.7 Ų114.773%0.72761%0.612SS**  trans-134.9146.5175.164.60000108.1V7V5-V7 HydrophobicContact CG1-CG2 4.35Å
6F86.2Confident85Confident109 Ų109112.6 Ų112.648%0.47860%0.601SS.*  trans-98.8133.5170.9-58.1-75.6000108.7F4 Y141F4-F6 HydrophobicContact CD2-CE1 4.48Å; F4-F6 AromaticContact CD2-CE2 3.86Å; F4-F6 HydrophobicContact CD2-CE2 3.86Å; F4-F6 AromaticContact CD2-CZ 3.81Å; F4-F6 HydrophobicContact CD2-CZ 3.81Å; F4-F6 AromaticContact CE2-CE2 3.52Å; F4-F6 HydrophobicContact CE2-CE2 3.52Å; F4-F6 AromaticContact CE2-CZ 3.58Å; F4-F6 HydrophobicContact CE2-CZ 3.58Å; F6-Y141 HydrophobicContact CD1-CE1 4.14Å; F6-Y141 AromaticContact CD1-CZ 3.83Å; F6-Y141 WeakPolarHBondContact CD1-OH 3.42Å; F6-Y141 HydrophobicContact CE1-CE1 4.38Å; F6-Y141 WeakPolarHBondContact CE1-OH 3.44Å
7V89.2Confident85.6Confident94 Ų94111.6 Ų111.657%0.5760%0.596SS**  trans-120.4126.8177.1-173.90000107.6V5 Y9V5-V7 HydrophobicContact CG1-CG2 4.35Å; V7-Y9 HydrophobicContact CB-CE2 4.24Å; V7-Y9 HydrophobicContact CG1-CD2 3.95Å; V7-Y9 HydrophobicContact CG1-CE2 3.46Å; V7-Y9 VanDerWaalsContact CG1-CE2 3.46Å
8I87.4Confident86Confident101 Ų101107.2 Ų107.252%0.51857%0.572SS.*  trans-112.3122.4176.7-61166000106.7L139I8-L139 HydrophobicContact CD1-CD1 3.8Å; I8-L139 HydrophobicContact CD1-CD2 4.19Å; I8-L139 HydrophobicContact CD1-CG 4.4Å; I8-L139 HydrophobicContact CG2-CD2 4.12Å
9Y89.3Confident86.5Confident96 Ų96102.6 Ų102.638%0.37655%0.547SS..  trans-95.2152177-76.6-91.7000110.8V7 S11 V15 L18V7-Y9 HydrophobicContact CB-CE2 4.24Å; V7-Y9 HydrophobicContact CG1-CD2 3.95Å; V7-Y9 HydrophobicContact CG1-CE2 3.46Å; V7-Y9 VanDerWaalsContact CG1-CE2 3.46Å; Y9-S11 VanDerWaalsContact C-N 3.35Å; Y9-V15 HydrophobicContact CD2-CG2 3.83Å; Y9-V15 HydrophobicContact CG-CG2 3.97Å; Y9-L18 HydrophobicContact CE2-CD2 4.04Å
10K87.3Confident86.9Confident218 Ų218103.9 Ų103.995%0.94855%0.554SS**SBendtrans-73.2-26.2176-174.7177.3177.4-176.80113
11S89.7Confident87.2Confident46 Ų46104.7 Ų104.732%0.32256%0.559SS.*SBendtrans-137.1148.4-179.269.20000111.9Y9 D13 S14Y9-S11 VanDerWaalsContact C-N 3.35Å; S11-D13 PolarHBondContact O-N 2.9Å; S11-S14 WeakPolarHBondContact O-CB 3.29Å; S11-S14 PolarHBondContact O-N 3.01Å; S11-S14 VanDerWaalsContact O-N 3.16Å; S11-S14 PolarHBondContact OG-N 2.97Å; S11-S14 PolarHBondContact OG-OG 3.26Å
12A88.8Confident89.6Confident70 Ų7094 Ų9458%0.57951%0.507SS*.Hα-helixtrans-59.9-34.7172.500000111.9S14 V15 N16A12-S14 PolarHBondContact O-N 3.14Å; A12-V15 WeakPolarHBondContact O-CB 3.06Å; A12-V15 PolarHBondContact O-N 2.93Å; A12-N16 PolarHBondContact O-N 3.48Å; A12-N16 PolarHBondContact O-ND2 2.87Å
13D93.4Very high90.7Very high110 Ų11089.6 Ų89.659%0.58850%0.496SS*.Hα-helixtrans-58.3-37.3175.9-60.3-34.1000112.4S11 V15 N16 N17S11-D13 PolarHBondContact O-N 2.9Å; D13-V15 VanDerWaalsContact C-N 3.31Å; D13-V15 PolarHBondContact O-N 3.1Å; D13-N16 PolarHBondContact O-N 2.79Å; D13-N17 WeakPolarHBondContact O-CB 3.32Å; D13-N17 PolarHBondContact O-N 2.87Å; D13-N17 PolarHBondContact O-ND2 3.31Å
14S94Very high91.4Very high41 Ų4194.9 Ų94.929%0.28749%0.492SS..Hα-helixtrans-67.4-35.2177.7-52.90000111.9S11 A12 L18S11-S14 WeakPolarHBondContact O-CB 3.29Å; S11-S14 PolarHBondContact O-N 3.01Å; S11-S14 VanDerWaalsContact O-N 3.16Å; S11-S14 PolarHBondContact OG-N 2.97Å; S11-S14 PolarHBondContact OG-OG 3.26Å; A12-S14 PolarHBondContact O-N 3.14Å; S14-L18 PolarHBondContact O-N 3.34Å; S14-L18 VanDerWaalsContact O-N 3.13Å
15V92.8Very high91.7Very high45 Ų4591.7 Ų91.727%0.27348%0.482SS..Hα-helixtrans-67.6-46173.2-177.20000109.8Y9 A12 D13 N17 L18 L19Y9-V15 HydrophobicContact CD2-CG2 3.83Å; Y9-V15 HydrophobicContact CG-CG2 3.97Å; A12-V15 WeakPolarHBondContact O-CB 3.06Å; A12-V15 PolarHBondContact O-N 2.93Å; D13-V15 VanDerWaalsContact C-N 3.31Å; D13-V15 PolarHBondContact O-N 3.1Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 3.03Å; V15-L18 WeakPolarHBondContact O-CB 3.47Å; V15-L18 PolarHBondContact O-N 2.97Å; V15-L19 HydrophobicContact CG1-CD1 4.09Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CG 3.45Å; V15-L19 PolarHBondContact O-N 2.97Å
16N93.5Very high91.9Very high81 Ų8189.2 Ų89.243%0.43348%0.48SS..Hα-helixtrans-59.6-42.6177.8-70.2-31.6000111.7A12 D13 L19 N20A12-N16 PolarHBondContact O-N 3.48Å; A12-N16 PolarHBondContact O-ND2 2.87Å; D13-N16 PolarHBondContact O-N 2.79Å; N16-L19 PolarHBondContact O-N 2.82Å; N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.16Å; N16-N20 PolarHBondContact O-ND2 3.47Å
17N95Very high91.8Very high96 Ų9689.3 Ų89.351%0.51349%0.494SS..Hα-helixtrans-60.2-46.5175-69.5-19.9000111.7D13 V15 L19 N20 D21D13-N17 WeakPolarHBondContact O-CB 3.32Å; D13-N17 PolarHBondContact O-N 2.87Å; D13-N17 PolarHBondContact O-ND2 3.31Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 3.03Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.02Å; N17-N20 PolarHBondContact O-N 2.88Å; N17-D21 PolarHBondContact O-N 3.28Å; N17-D21 VanDerWaalsContact O-N 3.12Å
18L94.2Very high91.8Very high31 Ų3189.7 Ų89.716%0.16249%0.488CS..Hα-helixtrans-58.6-44.5174.4173.867.6000111.8Y9 S14 V15 N20 D21 C22 F31 V62Y9-L18 HydrophobicContact CE2-CD2 4.04Å; S14-L18 PolarHBondContact O-N 3.34Å; S14-L18 VanDerWaalsContact O-N 3.13Å; V15-L18 WeakPolarHBondContact O-CB 3.47Å; V15-L18 PolarHBondContact O-N 2.97Å; L18-N20 VanDerWaalsContact C-N 3.31Å; L18-N20 PolarHBondContact O-N 3.21Å; L18-D21 PolarHBondContact O-N 2.89Å; L18-C22 PolarHBondContact O-N 3.19Å; L18-C22 PolarHBondContact O-SG 3.38Å; L18-F31 HydrophobicContact CD1-CD2 3.7Å; L18-F31 HydrophobicContact CD1-CE2 3.91Å; L18-F31 HydrophobicContact CD1-CG 4.13Å; L18-V62 HydrophobicContact CD2-CG1 4.05Å
19L94.5Very high92.1Very high21 Ų2186.7 Ų86.711%0.1147%0.472CS..Hα-helixtrans-67.8-32-179.3-66.1179.3000112.3V15 N16 N17 D21 C22 F29 V62 P64V15-L19 HydrophobicContact CG1-CD1 4.09Å; V15-L19 HydrophobicContact CG1-CG 4.3Å; V15-L19 WeakPolarHBondContact O-CG 3.45Å; V15-L19 PolarHBondContact O-N 2.97Å; N16-L19 PolarHBondContact O-N 2.82Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.02Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-C22 WeakPolarHBondContact O-CB 3.33Å; L19-C22 PolarHBondContact O-N 3.32Å; L19-F29 HydrophobicContact CB-CE1 4.42Å; L19-F29 HydrophobicContact CD2-CB 4.36Å; L19-F29 HydrophobicContact CD2-CD1 3.97Å; L19-F29 HydrophobicContact CD2-CD2 4.19Å; L19-F29 HydrophobicContact CD2-CE1 4.28Å; L19-F29 HydrophobicContact CD2-CE2 4.49Å; L19-F29 HydrophobicContact CD2-CG 3.92Å; L19-V62 HydrophobicContact CD2-CG1 4.11Å; L19-P64 HydrophobicContact CD1-CB 4.07Å; L19-P64 HydrophobicContact CD1-CG 4.02Å; L19-P64 HydrophobicContact CD2-CB 4.21Å; L19-P64 HydrophobicContact CD2-CG 3.85Å
20N94.9Very high92.4Very high127 Ų12784.9 Ų84.968%0.67947%0.466SS*.Hα-helixtrans-68.3-32173.8-70.3-24.9000112.3N16 N17 L18 C22N16-N20 WeakPolarHBondContact O-CB 3.45Å; N16-N20 PolarHBondContact O-N 3.16Å; N16-N20 PolarHBondContact O-ND2 3.47Å; N17-N20 PolarHBondContact O-N 2.88Å; L18-N20 VanDerWaalsContact C-N 3.31Å; L18-N20 PolarHBondContact O-N 3.21Å; N20-C22 VanDerWaalsContact C-N 3.3Å
21D93.6Very high92.7Very high122 Ų12277.2 Ų77.265%0.65243%0.432SS*.Hα-helixtrans-80.3-11.3174.8-70.4-13.6000113N17 L18 L19 F31N17-D21 PolarHBondContact O-N 3.28Å; N17-D21 VanDerWaalsContact O-N 3.12Å; L18-D21 PolarHBondContact O-N 2.89Å; L19-D21 VanDerWaalsContact C-N 3.33Å; D21-F31 HydrophobicContact CB-CD2 4.5Å; D21-F31 HydrophobicContact CB-CE2 4.21Å
22C95.6Very high92.7Very high16 Ų1678.6 Ų78.611%0.10844%0.436CS..SBendtrans-78.8143.5178-71.20000112L18 L19 N20 F29 F30L18-C22 PolarHBondContact O-N 3.19Å; L18-C22 PolarHBondContact O-SG 3.38Å; L19-C22 WeakPolarHBondContact O-CB 3.33Å; L19-C22 PolarHBondContact O-N 3.32Å; N20-C22 VanDerWaalsContact C-N 3.3Å; C22-F29 HydrophobicContact CB-CB 3.96Å; C22-F29 HydrophobicContact CB-CD1 4.09Å; C22-F30 CarbonylContact C-O 3.5Å; C22-F30 VanDerWaalsContact CA-O 3.29Å; C22-F30 WeakPolarHBondContact CA-O 3.47Å; C22-F30 WeakPolarHBondContact CB-O 3.3Å
23T94.7Very high92.6Very high86 Ų8678.9 Ų78.953%0.52843%0.428SS..EExtended strand (participates in β ladder)trans-77.5126.3162.3-58.70000109.3I25 F30T23-I25 HydrophobicContact CG2-CG1 4.34Å; T23-F30 PolarHBondContact N-O 3.47Å; T23-F30 PolarHBondContact O-N 2.86Å
24R93.9Very high92.2Very high186 Ų18680.1 Ų80.170%0.70243%0.43SS*.EExtended strand (participates in β ladder)trans-94.1122.3176.8-168.6175.972-1742.9110.7G26 K28 F29R24-G26 WeakPolarHBondContact CG-O 3.49Å; R24-K28 WeakPolarHBondContact CA-O 3.42Å; R24-F29 HydrophobicContact CG-CE1 4.45Å
25I91.4Very high91.4Very high110 Ų11080.2 Ų80.256%0.56443%0.429SS*.EExtended strand (participates in β ladder)trans-119.8106.6173.4-57.9170.2000107.5T23 S27 K28 F30T23-I25 HydrophobicContact CG2-CG1 4.34Å; I25-S27 PolarHBondContact O-N 3.13Å; I25-K28 PolarHBondContact N-O 3.4Å; I25-K28 PolarHBondContact O-N 3.19Å; I25-K28 VanDerWaalsContact O-N 3.1Å; I25-F30 HydrophobicContact CB-CD2 4.13Å; I25-F30 HydrophobicContact CB-CE2 3.91Å; I25-F30 HydrophobicContact CD1-CD2 3.84Å; I25-F30 HydrophobicContact CD1-CE2 4.01Å; I25-F30 HydrophobicContact CG1-CD2 4.08Å; I25-F30 HydrophobicContact CG1-CE2 4.28Å
26G90.1Very high90.4Very high67 Ų6783.5 Ų83.569%0.69145%0.451SS*.THydrogen-bonded Turntrans61.6-125-170.100000111.3R24R24-G26 WeakPolarHBondContact CG-O 3.49Å
27S84.8Confident89Confident111 Ų11180.4 Ų80.478%0.77644%0.439SS*.THydrogen-bonded Turntrans-90.8117558.80000114.2I25I25-S27 PolarHBondContact O-N 3.13Å
28K89.3Confident87.2Confident102 Ų10286.4 Ų86.444%0.44345%0.454SS..EExtended strand (participates in β ladder)trans-103.2141.2-174-63.3178.6179.8-178.10110.9R24 I25 F30R24-K28 WeakPolarHBondContact CA-O 3.42Å; I25-K28 PolarHBondContact N-O 3.4Å; I25-K28 PolarHBondContact O-N 3.19Å; I25-K28 VanDerWaalsContact O-N 3.1Å; K28-F30 HydrophobicContact CB-CD2 4.4Å; K28-F30 HydrophobicContact CB-CE2 3.56Å; K28-F30 HydrophobicContact CB-CZ 4.04Å; K28-F30 HydrophobicContact CD-CZ 4.35Å
29F94Very high85.2Confident39 Ų3994.7 Ų94.717%0.17148%0.483CS..EExtended strand (participates in β ladder)trans-101.3138.6174.9-60.5-91.6000110.1L19 C22 R24 Q61 V62 P64L19-F29 HydrophobicContact CB-CE1 4.42Å; L19-F29 HydrophobicContact CD2-CB 4.36Å; L19-F29 HydrophobicContact CD2-CD1 3.97Å; L19-F29 HydrophobicContact CD2-CD2 4.19Å; L19-F29 HydrophobicContact CD2-CE1 4.28Å; L19-F29 HydrophobicContact CD2-CE2 4.49Å; L19-F29 HydrophobicContact CD2-CG 3.92Å; C22-F29 HydrophobicContact CB-CB 3.96Å; C22-F29 HydrophobicContact CB-CD1 4.09Å; R24-F29 HydrophobicContact CG-CE1 4.45Å; F29-Q61 CarbonylContact O-C 3.57Å; F29-Q61 WeakPolarHBondContact O-CA 3.23Å; F29-V62 HydrophobicContact CB-CB 4.11Å; F29-V62 PolarHBondContact O-N 2.82Å; F29-P64 HydrophobicContact CD2-CG 4.21Å; F29-P64 HydrophobicContact CE2-CG 4.16Å
30F94.9Very high83.1Confident58 Ų5898 Ų9825%0.25451%0.506SS..EExtended strand (participates in β ladder)trans-129.2127.6177.6-65.4-90000110C22 T23 I25 K28 V60 Q61C22-F30 CarbonylContact C-O 3.5Å; C22-F30 VanDerWaalsContact CA-O 3.29Å; C22-F30 WeakPolarHBondContact CA-O 3.47Å; C22-F30 WeakPolarHBondContact CB-O 3.3Å; T23-F30 PolarHBondContact N-O 3.47Å; T23-F30 PolarHBondContact O-N 2.86Å; I25-F30 HydrophobicContact CB-CD2 4.13Å; I25-F30 HydrophobicContact CB-CE2 3.91Å; I25-F30 HydrophobicContact CD1-CD2 3.84Å; I25-F30 HydrophobicContact CD1-CE2 4.01Å; I25-F30 HydrophobicContact CG1-CD2 4.08Å; I25-F30 HydrophobicContact CG1-CE2 4.28Å; K28-F30 HydrophobicContact CB-CD2 4.4Å; K28-F30 HydrophobicContact CB-CE2 3.56Å; K28-F30 HydrophobicContact CB-CZ 4.04Å; K28-F30 HydrophobicContact CD-CZ 4.35Å; F30-V60 CarbonylContact C-O 3.55Å; F30-V60 VanDerWaalsContact CA-O 3.3Å; F30-V60 WeakPolarHBondContact CA-O 3.1Å; F30-Q61 HydrophobicContact CD1-CB 4.15Å; F30-Q61 HydrophobicContact CD1-CG 4.49Å; F30-Q61 HydrophobicContact CE1-CB 3.91Å; F30-Q61 HydrophobicContact CE1-CG 4.07Å; F30-Q61 HydrophobicContact CZ-CG 4.33Å
31F93.4Very high81Confident56 Ų5698.4 Ų98.425%0.24651%0.513CS..EExtended strand (participates in β ladder)trans-109132.5177.1-176.9-100.9000109.8L18 D21 L33 V60 V62L18-F31 HydrophobicContact CD1-CD2 3.7Å; L18-F31 HydrophobicContact CD1-CE2 3.91Å; L18-F31 HydrophobicContact CD1-CG 4.13Å; D21-F31 HydrophobicContact CB-CD2 4.5Å; D21-F31 HydrophobicContact CB-CE2 4.21Å; F31-L33 HydrophobicContact CD1-CB 4.4Å; F31-L33 HydrophobicContact CE1-CD1 4.16Å; F31-L33 PolarHBondContact O-N 3.05Å; F31-V60 HydrophobicContact CB-CG2 4.01Å; F31-V60 HydrophobicContact CD1-CG2 4.31Å; F31-V60 PolarHBondContact N-O 3.37Å; F31-V60 WeakPolarHBondContact O-CG2 3.05Å; F31-V60 PolarHBondContact O-N 3.4Å; F31-V62 HydrophobicContact CB-CG2 3.67Å
32D90.4Very high78.7Confident76 Ų76100.6 Ų100.641%0.40652%0.524SS..EExtended strand (participates in β ladder)trans-8393.9175.6-86.4-16.3000110Q34 K57D32-Q34 PolarHBondContact O-N 3.12Å; D32-K57 HydrophobicContact CB-CB 4.47Å; D32-K57 HydrophobicContact CB-CD 4.19Å; D32-K57 IonicContact OD2-NZ 3.99Å
33L86.5Confident76.4Confident76 Ų76108.2 Ų108.240%0.39856%0.563SS.*EExtended strand (participates in β ladder)trans-73.3122176.5-171.968.1000109.9F31 V35 K58 V60F31-L33 HydrophobicContact CD1-CB 4.4Å; F31-L33 HydrophobicContact CE1-CD1 4.16Å; F31-L33 PolarHBondContact O-N 3.05Å; L33-V35 HydrophobicContact CD2-CG1 3.91Å; L33-V35 HydrophobicContact CG-CG1 4.06Å; L33-V35 PolarHBondContact O-N 3.25Å; L33-K58 PolarHBondContact N-O 3.23Å; L33-K58 PolarHBondContact O-N 2.87Å; L33-V60 HydrophobicContact CB-CG1 4.27Å; L33-V60 HydrophobicContact CB-CG2 4.34Å
34Q83.9Confident74Confident135 Ų135108.5 Ų108.563%0.63157%0.568SS**EExtended strand (participates in β ladder)trans-72.8114.2168.2-67.6-172.89.900109D32 V55D32-Q34 PolarHBondContact O-N 3.12Å; Q34-V55 HydrophobicContact CB-CG1 3.67Å; Q34-V55 HydrophobicContact CG-CG1 3.87Å
35V77.7Confident71.6Confident44 Ų44110 Ų11027%0.26758%0.58SS.*EExtended strand (participates in β ladder)trans-111.1138.5175.8-64.30000109.7L33 G37 R56 K58L33-V35 HydrophobicContact CD2-CG1 3.91Å; L33-V35 HydrophobicContact CG-CG1 4.06Å; L33-V35 PolarHBondContact O-N 3.25Å; V35-G37 PolarHBondContact O-N 3.32Å; V35-R56 HydrophobicContact CG2-CB 3.98Å; V35-R56 WeakPolarHBondContact CG2-O 3.29Å; V35-R56 PolarHBondContact N-O 2.9Å; V35-R56 PolarHBondContact O-N 3.41Å; V35-K58 HydrophobicContact CG1-CB 4.47Å; V35-K58 HydrophobicContact CG2-CB 4.37Å
36P72.5Confident69.7Low113 Ų113111.4 Ų111.473%0.73458%0.584SS**EExtended strand (participates in β ladder)trans-56.4115168.1-22.632.8000109I53P36-I53 HydrophobicContact CB-CG2 4.2Å
37G63.9Low67.6Low17 Ų17118.1 Ų118.118%0.17560%0.598CS.*  trans-76.5148.5175.700000110.8V35 A54V35-G37 PolarHBondContact O-N 3.32Å; G37-A54 WeakPolarHBondContact CA-O 3.44Å; G37-A54 PolarHBondContact N-O 3.29Å
38R56Low65.9Low222 Ų222120.9 Ų120.984%0.83859%0.592SS**  trans-62.1136.1159-105.5-178.3-176.6-174.7-2.5108.2
39R53Low64Low204 Ų204119.6 Ų119.677%0.7760%0.596SS**  trans-45.1132.1170.9-74.4-176.1178.8166.1-1.6108.9T41R39-T41 PolarHBondContact O-N 2.85Å; R39-T41 VanDerWaalsContact O-N 3.1Å
40P50.7Low62Low91 Ų91121.9 Ų121.959%0.59162%0.622SS**  trans-55.6120.9170-16.628.5000107.8L42P40-L42 VanDerWaalsContact C-N 3.35Å; P40-L42 PolarHBondContact O-N 2.97Å
41T51.7Low60.1Low136 Ų136126 Ų12683%0.83465%0.647SS**  trans-65.9101167.440.50000106.8R39 L43R39-T41 PolarHBondContact O-N 2.85Å; R39-T41 VanDerWaalsContact O-N 3.1Å; T41-L43 PolarHBondContact O-N 2.85Å
42L44Very low58.3Low167 Ų167127.7 Ų127.787%0.87466%0.659SS**SBendtrans20.598.7160.3-69.8166.4000114.7P40P40-L42 VanDerWaalsContact C-N 3.35Å; P40-L42 PolarHBondContact O-N 2.97Å
43L47.4Very low56.8Low177 Ų177129.9 Ų129.993%0.92767%0.669SS**  trans-179.746.1151.9-95.7172000110.9T41T41-L43 PolarHBondContact O-N 2.85Å
44S44.3Very low55.6Low91 Ų91128 Ų12864%0.63666%0.664SS**  trans-157.4119.7155.4530000110.3Q46S44-Q46 VanDerWaalsContact C-N 3.31Å; S44-Q46 PolarHBondContact O-N 3.49Å
45F44.3Very low54.6Low219 Ų219125.4 Ų125.496%0.96166%0.658SS**  trans-7084.3174.3-78.1-101.1000109.3
46Q51.1Low54.2Low139 Ų139130.1 Ų130.165%0.6567%0.671SS**  trans-139.4133.4161.3-106.7168.4-13.100109.3S44 Y48S44-Q46 VanDerWaalsContact C-N 3.31Å; S44-Q46 PolarHBondContact O-N 3.49Å; Q46-Y48 HydrophobicContact CB-CD2 4.42Å; Q46-Y48 HydrophobicContact CB-CE2 3.93Å; Q46-Y48 VanDerWaalsContact O-CD2 3.29Å; Q46-Y48 WeakPolarHBondContact O-CD2 3.4Å; Q46-Y48 PolarHBondContact O-N 3.13Å
47Q45.8Very low54.4Low207 Ų207131.7 Ų131.797%0.96767%0.666SS**  trans-73.179.4-165.3-160.5173.919.300110.3
48Y48.5Very low55.3Low170 Ų170137.2 Ų137.267%0.66769%0.685SS**  trans-90.3137.9170.3-67-76.3000110.1Q46Q46-Y48 HydrophobicContact CB-CD2 4.42Å; Q46-Y48 HydrophobicContact CB-CE2 3.93Å; Q46-Y48 VanDerWaalsContact O-CD2 3.29Å; Q46-Y48 WeakPolarHBondContact O-CD2 3.4Å; Q46-Y48 PolarHBondContact O-N 3.13Å
49S49.6Very low56.8Low74 Ų74129 Ų12952%0.51767%0.669SS.*  trans-63.3146.4-179.5179.10000110N51 D52S49-N51 PolarHBondContact O-N 3.26Å; S49-D52 PolarHBondContact N-OD2 3.12Å; S49-D52 WeakPolarHBondContact O-CB 3.32Å; S49-D52 PolarHBondContact O-N 3.49Å
50A53.5Low58.6Low88 Ų88121.5 Ų121.573%0.72765%0.646SS**THydrogen-bonded Turntrans-58.6-13179.800000114
51N54.5Low60.6Low143 Ų143121.4 Ų121.477%0.76564%0.638SS**THydrogen-bonded Turntrans-98.4-1.7176.1-68-18.7000114.4S49 I53S49-N51 PolarHBondContact O-N 3.26Å; N51-I53 PolarHBondContact O-N 2.79Å; N51-I53 VanDerWaalsContact O-N 3.14Å
52D55Low62.5Low93 Ų93116.2 Ų116.250%0.49761%0.606SS.*  trans-76.8103.2179.1-76.2-30.6000110.7S49 A54S49-D52 PolarHBondContact N-OD2 3.12Å; S49-D52 WeakPolarHBondContact O-CB 3.32Å; S49-D52 PolarHBondContact O-N 3.49Å; D52-A54 PolarHBondContact O-N 3.19Å
53I58.2Low64.7Low121 Ų121113.2 Ų113.262%0.62158%0.583SS**  trans-70.7113.3164.5-62.8169000106.4P36 N51 V55P36-I53 HydrophobicContact CB-CG2 4.2Å; N51-I53 PolarHBondContact O-N 2.79Å; N51-I53 VanDerWaalsContact O-N 3.14Å; I53-V55 PolarHBondContact O-N 2.9Å
54A61.5Low66.8Low37 Ų37106.2 Ų106.231%0.30655%0.548SS..  trans-60.5101.6173.300000109.3G37 D52 R56G37-A54 WeakPolarHBondContact CA-O 3.44Å; G37-A54 PolarHBondContact N-O 3.29Å; D52-A54 PolarHBondContact O-N 3.19Å; A54-R56 PolarHBondContact O-N 3.29Å
55V63.4Low69Low81 Ų81104 Ų10449%0.49153%0.526SS..EExtended strand (participates in β ladder)trans-77.3122176.6-179.30000108.3Q34 I53Q34-V55 HydrophobicContact CB-CG1 3.67Å; Q34-V55 HydrophobicContact CG-CG1 3.87Å; I53-V55 PolarHBondContact O-N 2.9Å
56R69.2Low71.2Confident142 Ų14298.1 Ų98.154%0.53650%0.5SS..EExtended strand (participates in β ladder)trans-99.8142.3170-66.7-176.5-179176.10.2108.7V35 A54V35-R56 HydrophobicContact CG2-CB 3.98Å; V35-R56 WeakPolarHBondContact CG2-O 3.29Å; V35-R56 PolarHBondContact N-O 2.9Å; V35-R56 PolarHBondContact O-N 3.41Å; A54-R56 PolarHBondContact O-N 3.29Å
57K76.8Confident73.1Confident147 Ų14796.6 Ų96.664%0.63950%0.496SS*.EExtended strand (participates in β ladder)trans-89.1131168.1-66.2-173.9175.3-169.90109D32D32-K57 HydrophobicContact CB-CB 4.47Å; D32-K57 HydrophobicContact CB-CD 4.19Å; D32-K57 IonicContact OD2-NZ 3.99Å
58K82.8Confident75.3Confident132 Ų13290.9 Ų90.957%0.57448%0.484SS*.EExtended strand (participates in β ladder)trans-120.5112170.4-175.3178.5-179.7-176.70108.1L33 V35 V60L33-K58 PolarHBondContact N-O 3.23Å; L33-K58 PolarHBondContact O-N 2.87Å; V35-K58 HydrophobicContact CG1-CB 4.47Å; V35-K58 HydrophobicContact CG2-CB 4.37Å; K58-V60 PolarHBondContact O-N 3.23Å
59G86.7Confident77.4Confident49 Ų4983.9 Ų83.951%0.50546%0.458SS..EExtended strand (participates in β ladder)trans-62.2118.3171.800000109.9
60V91.8Very high79.5Confident48 Ų4882.7 Ų82.729%0.29144%0.444SS..EExtended strand (participates in β ladder)trans-111138.3172.7-62.40000108.9F30 F31 L33 K58F30-V60 CarbonylContact C-O 3.55Å; F30-V60 VanDerWaalsContact CA-O 3.3Å; F30-V60 WeakPolarHBondContact CA-O 3.1Å; F31-V60 HydrophobicContact CB-CG2 4.01Å; F31-V60 HydrophobicContact CD1-CG2 4.31Å; F31-V60 PolarHBondContact N-O 3.37Å; F31-V60 WeakPolarHBondContact O-CG2 3.05Å; F31-V60 PolarHBondContact O-N 3.4Å; L33-V60 HydrophobicContact CB-CG1 4.27Å; L33-V60 HydrophobicContact CB-CG2 4.34Å; K58-V60 PolarHBondContact O-N 3.23Å
61Q92.2Very high81.4Confident88 Ų8882.9 Ų82.941%0.41143%0.433SS..EExtended strand (participates in β ladder)trans-76.5129.7174.3-170.9-176-7.200109.4F29 F30 R63F29-Q61 CarbonylContact O-C 3.57Å; F29-Q61 WeakPolarHBondContact O-CA 3.23Å; F30-Q61 HydrophobicContact CD1-CB 4.15Å; F30-Q61 HydrophobicContact CD1-CG 4.49Å; F30-Q61 HydrophobicContact CE1-CB 3.91Å; F30-Q61 HydrophobicContact CE1-CG 4.07Å; F30-Q61 HydrophobicContact CZ-CG 4.33Å; Q61-R63 HydrophobicContact CG-CG 4.28Å
62V92.9Very high83.2Confident28 Ų2876.7 Ų76.717%0.1740%0.402CS..EExtended strand (participates in β ladder)trans-103.3129.6173.3-178.50000108.5L18 L19 F29 F31L18-V62 HydrophobicContact CD2-CG1 4.05Å; L19-V62 HydrophobicContact CD2-CG1 4.11Å; F29-V62 HydrophobicContact CB-CB 4.11Å; F29-V62 PolarHBondContact O-N 2.82Å; F31-V62 HydrophobicContact CB-CG2 3.67Å
63R89.5Confident84.8Confident103 Ų10376 Ų7639%0.38940%0.401SS..  trans-124.389.1179.1-66.3179.572.3157.310108.9Q61 Y169 E170Q61-R63 HydrophobicContact CG-CG 4.28Å; R63-Y169 PolarHBondContact NH2-OH 2.86Å; R63-E170 IonicContact CZ-OE1 3.68Å; R63-E170 IonicContact CZ-OE2 3.39Å; R63-E170 IonicContact NH1-OE1 3.9Å; R63-E170 PolarHBondContact NH1-OE1 2.89Å; R63-E170 IonicContact NH1-OE2 3.06Å; R63-E170 PolarHBondContact NH1-OE2 3.36Å; R63-E170 IonicContact NH2-OE1 3.77Å; R63-E170 PolarHBondContact NH2-OE1 2.81Å; R63-E170 IonicContact NH2-OE2 2.75Å
64P91.3Very high86.2Confident30 Ų3071.8 Ų71.820%0.19538%0.382CS..PPolyproline II helixtrans-64.9147.4175.128.8-34.8000110.4L19 F29 F66L19-P64 HydrophobicContact CD1-CB 4.07Å; L19-P64 HydrophobicContact CD1-CG 4.02Å; L19-P64 HydrophobicContact CD2-CB 4.21Å; L19-P64 HydrophobicContact CD2-CG 3.85Å; F29-P64 HydrophobicContact CD2-CG 4.21Å; F29-P64 HydrophobicContact CE2-CG 4.16Å; P64-F66 HydrophobicContact CB-CE2 4.24Å; P64-F66 HydrophobicContact CB-CZ 4.17Å; P64-F66 HydrophobicContact CG-CD2 4.44Å; P64-F66 HydrophobicContact CG-CE1 4.45Å; P64-F66 HydrophobicContact CG-CE2 3.56Å; P64-F66 HydrophobicContact CG-CZ 3.56Å
65W91.2Very high87.2Confident46 Ų4677.9 Ų77.917%0.17441%0.409CS..PPolyproline II helixtrans-91.7122.3165.5175.2-107.5000108.3D69 Q70 M96 I133 T135 D140 Y141 P142W65-D69 HydrophobicContact CE3-CB 4.47Å; W65-D69 HydrophobicContact CH2-CB 4.03Å; W65-D69 HydrophobicContact CZ2-CB 4.49Å; W65-D69 HydrophobicContact CZ3-CB 4.01Å; W65-Q70 HydrophobicContact CZ2-CB 3.96Å; W65-Q70 HydrophobicContact CZ2-CG 4.49Å; W65-M96 WeakPolarHBondContact CZ3-O 3.2Å; W65-I133 HydrophobicContact CH2-CB 4.4Å; W65-I133 HydrophobicContact CH2-CD1 3.78Å; W65-I133 HydrophobicContact CH2-CG2 4.16Å; W65-I133 HydrophobicContact CZ2-CG2 4.33Å; W65-I133 HydrophobicContact CZ3-CD1 4.49Å; W65-T135 HydrophobicContact CZ2-CG2 4.48Å; W65-D140 PolarHBondContact NE1-O 2.81Å; W65-Y141 HydrophobicContact CB-CD2 4.15Å; W65-Y141 HydrophobicContact CB-CE2 4.17Å; W65-Y141 HydrophobicContact CG-CD2 4.48Å; W65-P142 HydrophobicContact CD2-CG 3.44Å; W65-P142 VanDerWaalsContact CD2-CG 3.44Å; W65-P142 HydrophobicContact CE3-CG 3.55Å; W65-P142 HydrophobicContact CG-CG 4.16Å; W65-P142 HydrophobicContact CH2-CG 3.6Å; W65-P142 HydrophobicContact CZ2-CG 3.48Å; W65-P142 VanDerWaalsContact CZ2-CG 3.48Å; W65-P142 HydrophobicContact CZ3-CG 3.63Å
66F90.8Very high88.2Confident94 Ų9477.1 Ų77.141%0.41240%0.403SS..PPolyproline II helixtrans-97.4135.6174.7-62.7-81.9000109.4P64 A68 D69P64-F66 HydrophobicContact CB-CE2 4.24Å; P64-F66 HydrophobicContact CB-CZ 4.17Å; P64-F66 HydrophobicContact CG-CD2 4.44Å; P64-F66 HydrophobicContact CG-CE1 4.45Å; P64-F66 HydrophobicContact CG-CE2 3.56Å; P64-F66 HydrophobicContact CG-CZ 3.56Å; F66-A68 PolarHBondContact O-N 2.84Å; F66-A68 VanDerWaalsContact O-N 3.16Å; F66-D69 WeakPolarHBondContact O-CB 3.44Å; F66-D69 PolarHBondContact O-N 3.08Å
67L91Very high88.8Confident108 Ų10875.8 Ų75.857%0.56541%0.413SS*.G310 helixtrans-58.1-30.7176-59.6179.7000112.2D69 Q70 D140L67-D69 PolarHBondContact O-N 3.01Å; L67-Q70 VanDerWaalsContact O-CB 3.23Å; L67-Q70 WeakPolarHBondContact O-CB 3.3Å; L67-Q70 PolarHBondContact O-N 3.24Å; L67-D140 HydrophobicContact CD2-CB 3.8Å
68A91.9Very high89.2Confident87 Ų8774.2 Ų74.272%0.71942%0.415SS*.G310 helixtrans-64.9-20.7174.600000113.7F66 Q70F66-A68 PolarHBondContact O-N 2.84Å; F66-A68 VanDerWaalsContact O-N 3.16Å; A68-Q70 VanDerWaalsContact C-N 3.26Å; A68-Q70 PolarHBondContact O-N 2.92Å
69D91.5Very high89.2Confident23 Ų2371.2 Ų71.212%0.12340%0.4CS..G310 helixtrans-81.6-4177.3-67.9-37.2000112.6W65 F66 L67 K97 A98W65-D69 HydrophobicContact CE3-CB 4.47Å; W65-D69 HydrophobicContact CH2-CB 4.03Å; W65-D69 HydrophobicContact CZ2-CB 4.49Å; W65-D69 HydrophobicContact CZ3-CB 4.01Å; F66-D69 WeakPolarHBondContact O-CB 3.44Å; F66-D69 PolarHBondContact O-N 3.08Å; L67-D69 PolarHBondContact O-N 3.01Å; D69-K97 HydrophobicContact CB-CB 4.08Å; D69-K97 HydrophobicContact CB-CD 4.34Å; D69-K97 HydrophobicContact CB-CG 3.91Å; D69-K97 WeakPolarHBondContact OD1-CD 3.24Å; D69-K97 WeakPolarHBondContact OD1-CE 3.19Å; D69-K97 IonicContact OD1-NZ 3.06Å; D69-K97 PolarHBondContact OD1-NZ 3.06Å; D69-K97 WeakPolarHBondContact OD2-CE 3.45Å; D69-K97 IonicContact OD2-NZ 2.68Å; D69-K97 PolarHBondContact OD2-NZ 2.83Å; D69-A98 VanDerWaalsContact O-CB 3.28Å; D69-A98 WeakPolarHBondContact O-CB 3.19Å; D69-A98 PolarHBondContact O-N 3.37Å
70Q94.2Very high89.1Confident48 Ų4876.9 Ų76.922%0.22441%0.411CS..SBendtrans-76-33.7-175.5-174179.2-13.600113.9W65 L67 A68 A98 N132 I133 T135W65-Q70 HydrophobicContact CZ2-CB 3.96Å; W65-Q70 HydrophobicContact CZ2-CG 4.49Å; L67-Q70 VanDerWaalsContact O-CB 3.23Å; L67-Q70 WeakPolarHBondContact O-CB 3.3Å; L67-Q70 PolarHBondContact O-N 3.24Å; A68-Q70 VanDerWaalsContact C-N 3.26Å; A68-Q70 PolarHBondContact O-N 2.92Å; Q70-A98 WeakPolarHBondContact O-CB 3.37Å; Q70-N132 WeakPolarHBondContact O-CA 3.4Å; Q70-I133 HydrophobicContact CG-CB 4.44Å; Q70-I133 VanDerWaalsContact CG-O 3.24Å; Q70-I133 WeakPolarHBondContact CG-O 3.45Å; Q70-I133 PolarHBondContact NE2-O 2.72Å; Q70-I133 PolarHBondContact O-N 3.22Å; Q70-T135 HydrophobicContact CG-CG2 4.25Å
71L93.4Very high88.8Confident92 Ų9277 Ų7748%0.48241%0.412SS..EExtended strand (participates in β ladder)trans-126.4128.8-172.2179.667.6000110.1V73 M130 V131 N132L71-V73 HydrophobicContact CD1-CG2 4.04Å; L71-V73 HydrophobicContact CD2-CG2 4.21Å; L71-V73 HydrophobicContact CG-CG2 3.98Å; L71-M130 HydrophobicContact CD1-CG 3.89Å; L71-M130 HydrophobicContact CD1-SD 4.14Å; L71-V131 WeakPolarHBondContact CA-O 3.39Å; L71-N132 HydrophobicContact CD1-CB 3.96Å
72A91.2Very high88.6Confident14 Ų1475.4 Ų75.412%0.11641%0.406CS..EExtended strand (participates in β ladder)trans-124.4134.3166.500000108.6A98 A102 M130 V131A72-A98 VanDerWaalsContact CB-C 3.48Å; A72-A98 HydrophobicContact CB-CB 3.81Å; A72-A98 WeakPolarHBondContact CB-O 3.49Å; A72-A102 HydrophobicContact CB-CB 4Å; A72-M130 CarbonylContact O-C 3.55Å; A72-M130 VanDerWaalsContact O-CA 3.26Å; A72-M130 WeakPolarHBondContact O-CA 3.47Å; A72-V131 PolarHBondContact N-O 2.75Å; A72-V131 PolarHBondContact O-N 2.83Å
73V89.7Confident88.4Confident78 Ų7880 Ų8047%0.47342%0.424SS..EExtended strand (participates in β ladder)trans-128.8140.3177.4-173.50000107.2L71 D75 V129 M130L71-V73 HydrophobicContact CD1-CG2 4.04Å; L71-V73 HydrophobicContact CD2-CG2 4.21Å; L71-V73 HydrophobicContact CG-CG2 3.98Å; V73-D75 PolarHBondContact O-N 2.83Å; V73-V129 WeakPolarHBondContact CA-O 3.41Å; V73-M130 HydrophobicContact CG2-CG 4.17Å
74S86.5Confident88.3Confident33 Ų3379.2 Ų79.223%0.23142%0.421CS..  trans-59.5131.1175168.20000110.7D76 V129S74-D76 PolarHBondContact O-N 2.76Å; S74-D76 PolarHBondContact OG-N 2.95Å; S74-V129 PolarHBondContact N-O 2.9Å
75D83.2Confident88.2Confident164 Ų16480 Ų8088%0.87742%0.42SS*.SBendtrans-74.3-13.9175.4-65.4-38.4000112.9V73 P77V73-D75 PolarHBondContact O-N 2.83Å; D75-P77 VanDerWaalsContact O-CD 3.27Å; D75-P77 WeakPolarHBondContact O-CD 3.15Å
76D83.6Confident88.3Confident65 Ų6578.1 Ų78.135%0.34841%0.413SS..  trans-71.2112.1178.2-177.8-9.9000111.6S74 T78 R79S74-D76 PolarHBondContact O-N 2.76Å; S74-D76 PolarHBondContact OG-N 2.95Å; D76-T78 PolarHBondContact O-N 3.49Å; D76-T78 VanDerWaalsContact OD1-CB 3.3Å; D76-T78 WeakPolarHBondContact OD1-CB 3.48Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.47Å; D76-T78 PolarHBondContact OD1-N 2.99Å; D76-T78 PolarHBondContact OD1-OG1 3.15Å; D76-T78 PolarHBondContact OD2-OG1 2.68Å; D76-T78 VanDerWaalsContact OD2-OG1 3.09Å; D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 HydrophobicContact CB-CG 4.09Å; D76-R79 PolarHBondContact O-N 3.44Å; D76-R79 VanDerWaalsContact O-N 3.08Å; D76-R79 WeakPolarHBondContact OD2-CD 3.4Å; D76-R79 WeakPolarHBondContact OD2-CG 3.44Å
77P82.9Confident88.3Confident115 Ų11573.7 Ų73.775%0.74739%0.394SS*.THydrogen-bonded Turntrans-68.6-15.9-177.530-36.3000113.6D75 R79D75-P77 VanDerWaalsContact O-CD 3.27Å; D75-P77 WeakPolarHBondContact O-CD 3.15Å; P77-R79 VanDerWaalsContact C-N 3.3Å
78T85.2Confident88.4Confident114 Ų11471.2 Ų71.270%0.69938%0.379SS*.THydrogen-bonded Turntrans-75.8-23.4175.474.30000111.8D76 K80D76-T78 PolarHBondContact O-N 3.49Å; D76-T78 VanDerWaalsContact OD1-CB 3.3Å; D76-T78 WeakPolarHBondContact OD1-CB 3.48Å; D76-T78 WeakPolarHBondContact OD1-CG2 3.47Å; D76-T78 PolarHBondContact OD1-N 2.99Å; D76-T78 PolarHBondContact OD1-OG1 3.15Å; D76-T78 PolarHBondContact OD2-OG1 2.68Å; D76-T78 VanDerWaalsContact OD2-OG1 3.09Å; T78-K80 PolarHBondContact O-N 3.05Å
79R82.1Confident88.4Confident68 Ų6867.6 Ų67.626%0.25735%0.347SS..SBendtrans-94.681.6-177.2-66.5-178.871.9-1730.1111.1D76 P77 E105 G127 V128 V129D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 HydrophobicContact CB-CG 4.09Å; D76-R79 PolarHBondContact O-N 3.44Å; D76-R79 VanDerWaalsContact O-N 3.08Å; D76-R79 WeakPolarHBondContact OD2-CD 3.4Å; D76-R79 WeakPolarHBondContact OD2-CG 3.44Å; P77-R79 VanDerWaalsContact C-N 3.3Å; R79-E105 IonicContact CZ-OE2 3.34Å; R79-E105 IonicContact NH1-OE2 3.18Å; R79-E105 PolarHBondContact NH1-OE2 3.42Å; R79-E105 IonicContact NH2-OE2 2.65Å; R79-E105 PolarHBondContact NH2-OE2 3.16Å; R79-G127 PolarHBondContact NH2-O 3.36Å; R79-V128 VanDerWaalsContact NH2-C 3.29Å; R79-V128 PolarHBondContact NH2-O 3.34Å; R79-V129 HydrophobicContact CB-CG1 3.73Å
80K84.4Confident88.5Confident169 Ų16967.1 Ų67.174%0.73535%0.347SS*.  trans-77.3138.7179.2-62.4-172.6-179.2-178.20112.6T78 N82T78-K80 PolarHBondContact O-N 3.05Å; K80-N82 PolarHBondContact O-N 2.78Å
81V86.8Confident88.4Confident49 Ų4966.9 Ų66.930%0.29736%0.357SS..  trans-66125172.1-179.50000109.9F83 V129 M130 A149V81-F83 HydrophobicContact CG1-CE1 4.3Å; V81-F83 HydrophobicContact CG1-CZ 4.5Å; V81-V129 HydrophobicContact CB-CG2 4.47Å; V81-V129 HydrophobicContact CG2-CG2 4Å; V81-M130 HydrophobicContact CG1-CE 4.48Å; V81-M130 HydrophobicContact CG1-SD 4.42Å; V81-M130 HydrophobicContact CG2-CB 4.06Å; V81-A149 HydrophobicContact CG1-CB 4.05Å
82N88.2Confident88.2Confident56 Ų5662.9 Ų62.930%0.29934%0.337SS..  trans-115.2116.4168.2-176.1-24.5000108.9K80 R84 R85K80-N82 PolarHBondContact O-N 2.78Å; N82-R84 PolarHBondContact O-N 3.1Å; N82-R84 VanDerWaalsContact O-N 3.12Å; N82-R84 WeakPolarHBondContact OD1-CB 3.23Å; N82-R84 PolarHBondContact OD1-N 3.35Å; N82-R85 HydrophobicContact CB-CG 4.38Å; N82-R85 PolarHBondContact O-N 3.18Å
83F88Confident88.1Confident123 Ų12363.1 Ų63.154%0.53934%0.337SS..G310 helixtrans-64-17.9-175.8-65-74.3000114.1V81 R85 I86 L183V81-F83 HydrophobicContact CG1-CE1 4.3Å; V81-F83 HydrophobicContact CG1-CZ 4.5Å; F83-R85 PolarHBondContact O-N 3.29Å; F83-I86 HydrophobicContact CB-CD1 4.23Å; F83-I86 HydrophobicContact CD1-CD1 3.65Å; F83-I86 HydrophobicContact CG-CD1 4.41Å; F83-I86 WeakPolarHBondContact O-CG1 3.32Å; F83-L183 HydrophobicContact CB-CD1 3.83Å; F83-L183 HydrophobicContact CB-CD2 4.19Å
84R87.4Confident88.1Confident87 Ų8764.9 Ų64.933%0.32834%0.335SS..G310 helixtrans-74.7-13.3174.4-62.9-174.9170.2-168.4-4.8113.7N82 E192N82-R84 PolarHBondContact O-N 3.1Å; N82-R84 VanDerWaalsContact O-N 3.12Å; N82-R84 WeakPolarHBondContact OD1-CB 3.23Å; N82-R84 PolarHBondContact OD1-N 3.35Å; R84-E192 IonicContact CZ-OE1 3.73Å; R84-E192 IonicContact CZ-OE2 2.75Å; R84-E192 VanDerWaalsContact NH1-CD 3.32Å; R84-E192 IonicContact NH1-OE1 2.73Å; R84-E192 PolarHBondContact NH1-OE1 3.03Å; R84-E192 IonicContact NH1-OE2 3.31Å; R84-E192 PolarHBondContact NH1-OE2 2.6Å; R84-E192 VanDerWaalsContact NH2-CD 3.32Å; R84-E192 IonicContact NH2-OE1 3.04Å; R84-E192 PolarHBondContact NH2-OE1 3.27Å; R84-E192 IonicContact NH2-OE2 3.93Å; R84-E192 PolarHBondContact NH2-OE2 2.66Å
85R89.3Confident88.1Confident48 Ų4865.2 Ų65.218%0.18134%0.337CS..G310 helixtrans-107.840.4-178.7-60.3176.7-177.8150.60.8110.3N82 F83 A149 F150 A151 D153 F156N82-R85 HydrophobicContact CB-CG 4.38Å; N82-R85 PolarHBondContact O-N 3.18Å; F83-R85 PolarHBondContact O-N 3.29Å; R85-A149 CarbonylContact O-C 3.5Å; R85-A149 WeakPolarHBondContact O-CA 3.39Å; R85-F150 HydrophobicContact CB-CB 4.41Å; R85-F150 WeakPolarHBondContact CB-O 3.34Å; R85-F150 WeakPolarHBondContact CD-O 3.37Å; R85-F150 WeakPolarHBondContact O-CD2 3.48Å; R85-F150 PolarHBondContact O-N 3.16Å; R85-A151 PolarHBondContact NH1-O 3.13Å; R85-D153 IonicContact CZ-OD1 3.53Å; R85-D153 IonicContact CZ-OD2 3.5Å; R85-D153 VanDerWaalsContact NE-CG 3.33Å; R85-D153 IonicContact NE-OD1 2.76Å; R85-D153 PolarHBondContact NE-OD1 2.74Å; R85-D153 IonicContact NE-OD2 3.53Å; R85-D153 IonicContact NH2-OD1 3.46Å; R85-D153 PolarHBondContact NH2-OD1 2.87Å; R85-D153 IonicContact NH2-OD2 2.76Å; R85-D153 PolarHBondContact NH2-OD2 2.89Å; R85-F156 HydrophobicContact CB-CB 4.17Å; R85-F156 HydrophobicContact CB-CG 4.18Å; R85-F156 HydrophobicContact CG-CB 4.49Å
86I92.4Very high88.3Confident6 Ų657.8 Ų57.83%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-104.3129178-63179.7000109.4F83 M130 K147 V148 A149 F156 F181F83-I86 HydrophobicContact CB-CD1 4.23Å; F83-I86 HydrophobicContact CD1-CD1 3.65Å; F83-I86 HydrophobicContact CG-CD1 4.41Å; F83-I86 WeakPolarHBondContact O-CG1 3.32Å; I86-M130 HydrophobicContact CD1-CE 4.36Å; I86-K147 HydrophobicContact CG2-CB 3.95Å; I86-K147 HydrophobicContact CG2-CG 4.49Å; I86-V148 CarbonylContact C-O 3.55Å; I86-V148 VanDerWaalsContact CA-O 3.31Å; I86-V148 WeakPolarHBondContact CA-O 3.49Å; I86-A149 HydrophobicContact CD1-CB 4.46Å; I86-A149 HydrophobicContact CG1-CB 3.81Å; I86-F156 VanDerWaalsContact C-CE2 3.49Å; I86-F156 VanDerWaalsContact O-CE2 3.26Å; I86-F156 WeakPolarHBondContact O-CE2 3.34Å; I86-F181 HydrophobicContact CB-CB 4.06Å; I86-F181 HydrophobicContact CB-CD1 4.17Å; I86-F181 HydrophobicContact CG2-CB 3.65Å; I86-F181 HydrophobicContact CG2-CD1 3.82Å; I86-F181 HydrophobicContact CG2-CG 3.9Å; I86-F181 VanDerWaalsContact O-CB 3.24Å; I86-F181 WeakPolarHBondContact O-CB 3.46Å; I86-F181 PolarHBondContact O-N 3.44Å
87A91.3Very high88.6Confident0 Ų057.7 Ų57.70%029%0.294CS..EExtended strand (participates in β ladder)trans-109.4147.9166.500000110.4F89 V148 F150 F156 L160 K179A87-F89 HydrophobicContact CB-CD2 4.24Å; A87-F89 HydrophobicContact CB-CE2 3.88Å; A87-V148 PolarHBondContact N-O 3.28Å; A87-V148 PolarHBondContact O-N 2.89Å; A87-F150 HydrophobicContact CB-CE2 3.87Å; A87-F156 HydrophobicContact CB-CD2 4.42Å; A87-F156 HydrophobicContact CB-CE2 4.1Å; A87-L160 HydrophobicContact CB-CD2 3.88Å; A87-K179 CarbonylContact C-O 3.58Å; A87-K179 VanDerWaalsContact CA-O 3.22Å; A87-K179 WeakPolarHBondContact CA-O 3.09Å; A87-K179 WeakPolarHBondContact CB-O 2.97Å
88F92.9Very high89Confident56 Ų5652.2 Ų52.225%0.24626%0.258CS..EExtended strand (participates in β ladder)trans-88.1128.2169.9-179-95.7000109.5V145 A146 M178 K179F88-V145 HydrophobicContact CE1-CB 4.28Å; F88-V145 HydrophobicContact CE1-CG1 4.22Å; F88-V145 HydrophobicContact CE2-CB 3.72Å; F88-V145 HydrophobicContact CE2-CG1 4.32Å; F88-V145 HydrophobicContact CE2-CG2 3.81Å; F88-V145 HydrophobicContact CZ-CB 3.46Å; F88-V145 VanDerWaalsContact CZ-CB 3.46Å; F88-V145 HydrophobicContact CZ-CG1 3.57Å; F88-V145 HydrophobicContact CZ-CG2 3.89Å; F88-A146 WeakPolarHBondContact CA-O 3.28Å; F88-M178 CarbonylContact O-C 3.55Å; F88-M178 VanDerWaalsContact O-CA 3.32Å; F88-M178 WeakPolarHBondContact O-CA 3.16Å; F88-K179 HydrophobicContact CB-CB 4.41Å; F88-K179 PolarHBondContact N-O 2.88Å; F88-K179 PolarHBondContact O-N 3.38Å
89F93.3Very high89Confident12 Ų1249.3 Ų49.35%0.05324%0.243CC..EExtended strand (participates in β ladder)trans-111111.9177.9-81.3-126.6000108.2A87 I92 M101 V145 A146 V148 F150 V176 E177 M178A87-F89 HydrophobicContact CB-CD2 4.24Å; A87-F89 HydrophobicContact CB-CE2 3.88Å; F89-I92 HydrophobicContact CB-CG2 4.43Å; F89-M101 HydrophobicContact CB-CE 4.2Å; F89-M101 HydrophobicContact CD1-CE 3.93Å; F89-M101 HydrophobicContact CG-CE 4.28Å; F89-V145 CarbonylContact O-C 3.52Å; F89-V145 WeakPolarHBondContact O-CA 3.47Å; F89-A146 HydrophobicContact CB-CB 4.47Å; F89-A146 PolarHBondContact N-O 3.01Å; F89-A146 PolarHBondContact O-N 2.79Å; F89-V148 HydrophobicContact CB-CG2 4.27Å; F89-V148 HydrophobicContact CD1-CG2 4.11Å; F89-V148 HydrophobicContact CD2-CB 3.72Å; F89-V148 HydrophobicContact CD2-CG2 3.39Å; F89-V148 HydrophobicContact CE1-CG2 4.33Å; F89-V148 HydrophobicContact CE2-CB 3.56Å; F89-V148 HydrophobicContact CE2-CG1 4.07Å; F89-V148 HydrophobicContact CE2-CG2 3.65Å; F89-V148 HydrophobicContact CG-CB 4.47Å; F89-V148 HydrophobicContact CG-CG2 3.67Å; F89-V148 HydrophobicContact CZ-CB 4.19Å; F89-V148 HydrophobicContact CZ-CG1 4.26Å; F89-V148 HydrophobicContact CZ-CG2 4.12Å; F89-F150 HydrophobicContact CE2-CE2 4.49Å; F89-F150 HydrophobicContact CE2-CZ 4.08Å; F89-F150 HydrophobicContact CZ-CZ 4.09Å; F89-V176 HydrophobicContact CB-CG1 3.94Å; F89-V176 HydrophobicContact CD1-CG1 3.71Å; F89-V176 HydrophobicContact CG-CG1 4.18Å; F89-E177 CarbonylContact C-O 3.56Å; F89-E177 WeakPolarHBondContact CA-O 3.18Å; F89-M178 HydrophobicContact CD1-CG 4.07Å; F89-M178 HydrophobicContact CD2-CG 4.13Å; F89-M178 HydrophobicContact CE1-CG 3.8Å; F89-M178 HydrophobicContact CE1-SD 3.78Å; F89-M178 HydrophobicContact CE2-CG 3.86Å; F89-M178 HydrophobicContact CE2-SD 4.17Å; F89-M178 HydrophobicContact CG-CG 4.22Å; F89-M178 HydrophobicContact CZ-CG 3.68Å; F89-M178 HydrophobicContact CZ-SD 3.51Å; F89-M178 VanDerWaalsContact CZ-SD 3.51Å
90G93.4Very high89.2Confident13 Ų1349.4 Ų49.413%0.13425%0.246CC..EExtended strand (participates in β ladder)trans-108143.4-18000000112.6V176 E177G90-V176 CarbonylContact O-C 3.52Å; G90-V176 VanDerWaalsContact O-CA 3.32Å; G90-V176 WeakPolarHBondContact O-CA 3.24Å; G90-V176 WeakPolarHBondContact O-CG1 3.35Å; G90-E177 PolarHBondContact N-O 2.81Å; G90-E177 PolarHBondContact O-N 3.32Å
91G90.8Very high89.1Confident42 Ų4241.9 Ų41.943%0.43321%0.214SC..SBendtrans92.913.8177.800000114.4G144G91-G144 PolarHBondContact N-O 3.3Å
92I90.4Very high88.5Confident9 Ų940.8 Ų40.85%0.04621%0.209CC..  trans-69146.2175.762.6166.5000110.8F89 R94 M101 I133 G144 A146 V176F89-I92 HydrophobicContact CB-CG2 4.43Å; I92-R94 PolarHBondContact O-N 2.95Å; I92-M101 HydrophobicContact CD1-SD 3.66Å; I92-M101 HydrophobicContact CG2-CE 3.88Å; I92-M101 HydrophobicContact CG2-SD 4.08Å; I92-I133 HydrophobicContact CD1-CG1 4.15Å; I92-G144 WeakPolarHBondContact CG1-O 3.26Å; I92-G144 PolarHBondContact N-O 3.03Å; I92-G144 VanDerWaalsContact N-O 3.12Å; I92-G144 VanDerWaalsContact O-CA 3.28Å; I92-G144 WeakPolarHBondContact O-CA 3.18Å; I92-A146 HydrophobicContact CD1-CB 3.75Å; I92-V176 HydrophobicContact CG2-CG1 3.97Å; I92-V176 HydrophobicContact CG2-CG2 3.92Å
93P87.6Confident87.4Confident18 Ų1841.6 Ų41.612%0.11721%0.213CC..  trans-57.7133.8172.3-21.331.6000111.5S95 M96 Y169 K174P93-S95 PolarHBondContact O-N 3.42Å; P93-S95 VanDerWaalsContact O-N 3.15Å; P93-M96 HydrophobicContact CB-CB 4.18Å; P93-M96 HydrophobicContact CG-CE 4.06Å; P93-M96 VanDerWaalsContact O-CB 3.26Å; P93-M96 WeakPolarHBondContact O-CB 3.26Å; P93-M96 PolarHBondContact O-N 3.12Å; P93-Y169 HydrophobicContact CB-CD1 3.74Å; P93-Y169 HydrophobicContact CB-CE1 4.02Å; P93-Y169 HydrophobicContact CB-CG 4.32Å; P93-Y169 HydrophobicContact CG-CD1 3.7Å; P93-Y169 HydrophobicContact CG-CE1 4.43Å; P93-Y169 HydrophobicContact CG-CG 3.84Å; P93-K174 HydrophobicContact CG-CG 4.17Å
94R89.6Confident86Confident116 Ų11639 Ų3944%0.43821%0.205SC..THydrogen-bonded Turntrans-67.5-13.7-179.6-65.4-174.7-177.3-174.42.3114.6I92 Y141 P142 K143I92-R94 PolarHBondContact O-N 2.95Å; R94-Y141 HydrophobicContact CB-CE1 4.23Å; R94-P142 HydrophobicContact CB-CB 4.28Å; R94-P142 VanDerWaalsContact CD-O 3.23Å; R94-P142 WeakPolarHBondContact CD-O 3.37Å; R94-P142 WeakPolarHBondContact CG-O 3.39Å; R94-P142 WeakPolarHBondContact O-CG 3.35Å; R94-K143 PolarHBondContact NE-O 2.87Å
95S86.6Confident84.3Confident40 Ų4036.6 Ų36.628%0.2820%0.197SC..THydrogen-bonded Turntrans-93.8-6.2175.260.80000113.5P93 Y169P93-S95 PolarHBondContact O-N 3.42Å; P93-S95 VanDerWaalsContact O-N 3.15Å; S95-Y169 PolarHBondContact O-OH 2.86Å; S95-Y169 VanDerWaalsContact OG-CE1 3.24Å; S95-Y169 WeakPolarHBondContact OG-CE1 3.46Å; S95-Y169 PolarHBondContact OG-OH 2.9Å
96M87.4Confident82Confident7 Ų741.5 Ų41.53%0.03422%0.224CC..  trans-73.3139.5179.8-179.8175.7-81.500110.3W65 P93 E100 M101 I133 V167 Y169W65-M96 WeakPolarHBondContact CZ3-O 3.2Å; P93-M96 HydrophobicContact CB-CB 4.18Å; P93-M96 HydrophobicContact CG-CE 4.06Å; P93-M96 VanDerWaalsContact O-CB 3.26Å; P93-M96 WeakPolarHBondContact O-CB 3.26Å; P93-M96 PolarHBondContact O-N 3.12Å; M96-E100 WeakPolarHBondContact CA-OE2 3.47Å; M96-E100 HydrophobicContact CG-CB 4.22Å; M96-M101 HydrophobicContact CG-CG 3.82Å; M96-M101 HydrophobicContact SD-CG 3.3Å; M96-M101 WeakPolarHBondContact SD-CG 3.5Å; M96-M101 HydrophobicContact SD-SD 4.13Å; M96-I133 WeakPolarHBondContact O-CD1 3.32Å; M96-V167 HydrophobicContact CE-CG1 3.86Å; M96-Y169 HydrophobicContact CB-CD2 4.46Å; M96-Y169 HydrophobicContact CB-CE2 3.98Å; M96-Y169 HydrophobicContact CE-CD2 3.19Å; M96-Y169 HydrophobicContact CE-CE2 3.83Å; M96-Y169 HydrophobicContact CE-CG 3.64Å; M96-Y169 HydrophobicContact CG-CD2 4.42Å; M96-Y169 HydrophobicContact CG-CE2 4.1Å
97K89.7Confident79.3Confident64 Ų6444.3 Ų44.328%0.27824%0.239SC..  trans-92.5154.7179.4-54177.2166.2-135.20111.2D69 S99 E100 M101D69-K97 HydrophobicContact CB-CB 4.08Å; D69-K97 HydrophobicContact CB-CD 4.34Å; D69-K97 HydrophobicContact CB-CG 3.91Å; D69-K97 WeakPolarHBondContact OD1-CD 3.24Å; D69-K97 WeakPolarHBondContact OD1-CE 3.19Å; D69-K97 IonicContact OD1-NZ 3.06Å; D69-K97 PolarHBondContact OD1-NZ 3.06Å; D69-K97 WeakPolarHBondContact OD2-CE 3.45Å; D69-K97 IonicContact OD2-NZ 2.68Å; D69-K97 PolarHBondContact OD2-NZ 2.83Å; K97-S99 PolarHBondContact O-N 2.88Å; K97-E100 HydrophobicContact CB-CB 4.3Å; K97-E100 HydrophobicContact CB-CG 3.93Å; K97-E100 HydrophobicContact CD-CG 4.36Å; K97-E100 HydrophobicContact CG-CG 4.33Å; K97-E100 PolarHBondContact N-OE2 3.47Å; K97-E100 WeakPolarHBondContact O-CB 3.3Å; K97-E100 PolarHBondContact O-N 2.83Å; K97-E100 VanDerWaalsContact O-N 3.13Å; K97-M101 PolarHBondContact O-N 3.32Å; K97-M101 VanDerWaalsContact O-N 3.07Å
98A91.5Very high76.5Confident0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-62.4-35.4176.100000111.8D69 Q70 A72 M101 A102 V131 I133D69-A98 VanDerWaalsContact O-CB 3.28Å; D69-A98 WeakPolarHBondContact O-CB 3.19Å; D69-A98 PolarHBondContact O-N 3.37Å; Q70-A98 WeakPolarHBondContact O-CB 3.37Å; A72-A98 VanDerWaalsContact CB-C 3.48Å; A72-A98 HydrophobicContact CB-CB 3.81Å; A72-A98 WeakPolarHBondContact CB-O 3.49Å; A98-M101 PolarHBondContact O-N 2.74Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.18Å; A98-V131 HydrophobicContact CB-CB 4.17Å; A98-V131 HydrophobicContact CB-CG1 4.02Å; A98-I133 HydrophobicContact CB-CD1 4.1Å; A98-I133 HydrophobicContact CB-CG1 4.31Å; A98-I133 VanDerWaalsContact N-CD1 3.3Å
99S86.6Confident73.9Confident53 Ų5355.8 Ų55.837%0.37129%0.292SS..Hα-helixtrans-66.6-37.2174.753.70000112.3K97 M101 A102 L103K97-S99 PolarHBondContact O-N 2.88Å; S99-M101 VanDerWaalsContact C-N 3.35Å; S99-A102 PolarHBondContact O-N 2.81Å; S99-L103 VanDerWaalsContact O-CB 3.29Å; S99-L103 WeakPolarHBondContact O-CB 3.11Å; S99-L103 WeakPolarHBondContact O-CG 2.97Å; S99-L103 PolarHBondContact O-N 2.87Å
100E84.9Confident70.8Confident70 Ų7060.7 Ų60.733%0.32733%0.327SS..Hα-helixtrans-65.3-39.7175-66.7168.9164.600111.2M96 K97 L104 Y169M96-E100 WeakPolarHBondContact CA-OE2 3.47Å; M96-E100 HydrophobicContact CG-CB 4.22Å; K97-E100 HydrophobicContact CB-CB 4.3Å; K97-E100 HydrophobicContact CB-CG 3.93Å; K97-E100 HydrophobicContact CD-CG 4.36Å; K97-E100 HydrophobicContact CG-CG 4.33Å; K97-E100 PolarHBondContact N-OE2 3.47Å; K97-E100 WeakPolarHBondContact O-CB 3.3Å; K97-E100 PolarHBondContact O-N 2.83Å; K97-E100 VanDerWaalsContact O-N 3.13Å; E100-L104 PolarHBondContact O-N 2.9Å; E100-Y169 WeakPolarHBondContact OE2-CE2 3.39Å; E100-Y169 PolarHBondContact OE2-OH 2.78Å
101M82.5Confident67.8Low11 Ų1167 Ų675%0.05435%0.351CS..Hα-helixtrans-66.4-41.3172.7-75-168.77000112.7F89 I92 M96 K97 A98 S99 L103 L104 V131 I133 A146 V148F89-M101 HydrophobicContact CB-CE 4.2Å; F89-M101 HydrophobicContact CD1-CE 3.93Å; F89-M101 HydrophobicContact CG-CE 4.28Å; I92-M101 HydrophobicContact CD1-SD 3.66Å; I92-M101 HydrophobicContact CG2-CE 3.88Å; I92-M101 HydrophobicContact CG2-SD 4.08Å; M96-M101 HydrophobicContact CG-CG 3.82Å; M96-M101 HydrophobicContact SD-CG 3.3Å; M96-M101 WeakPolarHBondContact SD-CG 3.5Å; M96-M101 HydrophobicContact SD-SD 4.13Å; K97-M101 PolarHBondContact O-N 3.32Å; K97-M101 VanDerWaalsContact O-N 3.07Å; A98-M101 PolarHBondContact O-N 2.74Å; S99-M101 VanDerWaalsContact C-N 3.35Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L104 VanDerWaalsContact O-CB 3.28Å; M101-L104 WeakPolarHBondContact O-CB 3.42Å; M101-L104 WeakPolarHBondContact O-CG 3.4Å; M101-L104 PolarHBondContact O-N 2.87Å; M101-V131 HydrophobicContact CB-CB 4.43Å; M101-V131 HydrophobicContact CB-CG1 3.85Å; M101-V131 HydrophobicContact CB-CG2 4.04Å; M101-V131 HydrophobicContact CE-CG1 4.3Å; M101-V131 HydrophobicContact CG-CG1 4.41Å; M101-V131 HydrophobicContact SD-CG1 3.84Å; M101-I133 HydrophobicContact SD-CG1 4.41Å; M101-A146 HydrophobicContact CE-CB 3.99Å; M101-A146 HydrophobicContact SD-CB 3.87Å; M101-V148 HydrophobicContact CE-CG2 4.03Å
102A74.7Confident65.1Low25 Ų2574 Ų7421%0.20737%0.37CS..Hα-helixtrans-68-35.5177.700000111.3A72 A98 S99 L104 E105 V131A72-A102 HydrophobicContact CB-CB 4Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.18Å; S99-A102 PolarHBondContact O-N 2.81Å; A102-L104 PolarHBondContact O-N 2.87Å; A102-E105 WeakPolarHBondContact O-CB 3.3Å; A102-E105 WeakPolarHBondContact O-CG 3.31Å; A102-E105 PolarHBondContact O-N 2.81Å; A102-V131 HydrophobicContact CB-CG2 4.01Å
103L65.7Low62.2Low73 Ų7376.9 Ų76.938%0.38240%0.401SS..G310 helixtrans-72.5-5.8176-71.4171.4000113.8S99 M101 E105 M106 L107S99-L103 VanDerWaalsContact O-CB 3.29Å; S99-L103 WeakPolarHBondContact O-CB 3.11Å; S99-L103 WeakPolarHBondContact O-CG 2.97Å; S99-L103 PolarHBondContact O-N 2.87Å; M101-L103 VanDerWaalsContact C-N 3.33Å; L103-E105 PolarHBondContact O-N 2.82Å; L103-E105 VanDerWaalsContact O-N 3.11Å; L103-M106 HydrophobicContact CD2-CB 3.94Å; L103-M106 PolarHBondContact O-N 2.8Å; L103-L107 HydrophobicContact CB-CD1 4.02Å; L103-L107 HydrophobicContact CD1-CD1 4.05Å; L103-L107 HydrophobicContact CD2-CD1 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.33Å; L103-L107 PolarHBondContact O-N 2.86Å; L103-L107 VanDerWaalsContact O-N 3.13Å
104L58.3Low59.6Low70 Ų7081.8 Ų81.837%0.36644%0.436SS..G310 helixtrans-61.3-10.4162.5-62.4172.6000112E100 M101 A102 E124E100-L104 PolarHBondContact O-N 2.9Å; M101-L104 VanDerWaalsContact O-CB 3.28Å; M101-L104 WeakPolarHBondContact O-CB 3.42Å; M101-L104 WeakPolarHBondContact O-CG 3.4Å; M101-L104 PolarHBondContact O-N 2.87Å; A102-L104 PolarHBondContact O-N 2.87Å; L104-E124 WeakPolarHBondContact O-CG 3.5Å
105E50.6Low56.7Low35 Ų3579.5 Ų79.516%0.16445%0.449CS..G310 helixtrans-80.9-18.9166.2-60.9-119.8110.300115R79 A102 L103 P126 G127 V128R79-E105 IonicContact CZ-OE2 3.34Å; R79-E105 IonicContact NH1-OE2 3.18Å; R79-E105 PolarHBondContact NH1-OE2 3.42Å; R79-E105 IonicContact NH2-OE2 2.65Å; R79-E105 PolarHBondContact NH2-OE2 3.16Å; A102-E105 WeakPolarHBondContact O-CB 3.3Å; A102-E105 WeakPolarHBondContact O-CG 3.31Å; A102-E105 PolarHBondContact O-N 2.81Å; L103-E105 PolarHBondContact O-N 2.82Å; L103-E105 VanDerWaalsContact O-N 3.11Å; E105-P126 VanDerWaalsContact OE1-CA 3.28Å; E105-P126 WeakPolarHBondContact OE1-CA 3.33Å; E105-G127 WeakPolarHBondContact OE1-CA 3.46Å; E105-G127 PolarHBondContact OE1-N 2.88Å; E105-V128 HydrophobicContact CG-CB 3.6Å; E105-V128 HydrophobicContact CG-CG2 3.97Å; E105-V128 WeakPolarHBondContact OE1-CA 3.26Å; E105-V128 WeakPolarHBondContact OE1-CB 3.42Å; E105-V128 WeakPolarHBondContact OE1-CG2 3.45Å; E105-V128 PolarHBondContact OE1-N 2.82Å; E105-V128 PolarHBondContact OE2-N 3.32Å
106M41.3Very low54Low152 Ų15286.8 Ų86.875%0.74948%0.478SS*.THydrogen-bonded Turntrans-131.7-7.1-157.9-104.1-165.5156.700115.7L103L103-M106 HydrophobicContact CD2-CB 3.94Å; L103-M106 PolarHBondContact O-N 2.8Å
107L36.4Very low51.1Low64 Ų6494.8 Ų94.834%0.33552%0.52SS..  trans-139.698.6-176.6-66.8159.4000109.2L103 Y109L103-L107 HydrophobicContact CB-CD1 4.02Å; L103-L107 HydrophobicContact CD1-CD1 4.05Å; L103-L107 HydrophobicContact CD2-CD1 4.23Å; L103-L107 HydrophobicContact CG-CD1 4.33Å; L103-L107 PolarHBondContact O-N 2.86Å; L103-L107 VanDerWaalsContact O-N 3.13Å; L107-Y109 HydrophobicContact CB-CD2 3.46Å; L107-Y109 VanDerWaalsContact CB-CD2 3.46Å; L107-Y109 HydrophobicContact CB-CE2 3.99Å; L107-Y109 HydrophobicContact CB-CG 4.29Å; L107-Y109 HydrophobicContact CD1-CD2 3.65Å; L107-Y109 HydrophobicContact CD1-CE2 3.26Å; L107-Y109 HydrophobicContact CD2-CD2 4.3Å; L107-Y109 HydrophobicContact CD2-CE2 4.08Å; L107-Y109 HydrophobicContact CG-CD2 3.96Å; L107-Y109 HydrophobicContact CG-CE2 3.94Å; L107-Y109 PolarHBondContact O-N 2.8Å
108N33Very low48.3Very low142 Ų14295.9 Ų95.976%0.75954%0.541SS*.  2.463.692.4-95-22.8000114.2C110 E124N108-C110 VanDerWaalsContact C-N 3.26Å; N108-C110 PolarHBondContact O-N 2.75Å; N108-E124 PolarHBondContact N-OE1 3.48Å
109Y37.5Very low45.4Very low155 Ų155104.4 Ų104.461%0.60858%0.581SS**  trans-93.961.2160.1-101.6-67.5000110.4L107 F111L107-Y109 HydrophobicContact CB-CD2 3.46Å; L107-Y109 VanDerWaalsContact CB-CD2 3.46Å; L107-Y109 HydrophobicContact CB-CE2 3.99Å; L107-Y109 HydrophobicContact CB-CG 4.29Å; L107-Y109 HydrophobicContact CD1-CD2 3.65Å; L107-Y109 HydrophobicContact CD1-CE2 3.26Å; L107-Y109 HydrophobicContact CD2-CD2 4.3Å; L107-Y109 HydrophobicContact CD2-CE2 4.08Å; L107-Y109 HydrophobicContact CG-CD2 3.96Å; L107-Y109 HydrophobicContact CG-CE2 3.94Å; L107-Y109 PolarHBondContact O-N 2.8Å; Y109-F111 HydrophobicContact CD1-CB 3.53Å; Y109-F111 WeakPolarHBondContact CD1-O 3.24Å; Y109-F111 HydrophobicContact CE1-CB 3.69Å; Y109-F111 PolarHBondContact O-N 2.86Å; Y109-F111 VanDerWaalsContact O-N 3.14Å
110C28.7Very low42.8Very low115 Ų115106.2 Ų106.278%0.77759%0.593SS**  trans-69.372.8136.1-81.80000108.4N108N108-C110 VanDerWaalsContact C-N 3.26Å; N108-C110 PolarHBondContact O-N 2.75Å
111F30Very low40.2Very low146 Ų146108.7 Ų108.764%0.6461%0.613SS**  trans-166.6104.5166.3-99.1-81000105.3Y109Y109-F111 HydrophobicContact CD1-CB 3.53Å; Y109-F111 WeakPolarHBondContact CD1-O 3.24Å; Y109-F111 HydrophobicContact CE1-CB 3.69Å; Y109-F111 PolarHBondContact O-N 2.86Å; Y109-F111 VanDerWaalsContact O-N 3.14Å
112F33.7Very low38.4Very low190 Ų190112.5 Ų112.583%0.83363%0.63SS**SBend-161133.256.1-88.2-96.2000109.4
113G31.2Very low37.3Very low68 Ų68121.8 Ų121.870%0.70166%0.66SS**  trans131.383.1159.100000114.8
114S32.1Very low37.3Very low122 Ų122122.6 Ų122.685%0.85366%0.662SS**  trans33.9112.1147.158.20000119.2
115G27.6Very low37.8Very low68 Ų68119.9 Ų119.970%0.70165%0.648SS**SBendtrans87.9119.7144.600000115.7
116E30.8Very low39.1Very low192 Ų192122 Ų12290%0.89766%0.664SS**SBendtrans66116.3152.7-62.1176.7142.800117.8
117L26Very low41.2Very low175 Ų175115 Ų11592%0.91663%0.632SS**  trans69.198.4153.6-120.676.6000117
118A31.4Very low43.6Very low88 Ų88112.9 Ų112.973%0.72762%0.621SS**  trans-144.481.6151.800000110.2C120A118-C120 PolarHBondContact O-N 3.39Å
119E30.8Very low46.4Very low179 Ų179106.2 Ų106.284%0.83659%0.586SS**  trans-65.779.5156.3-172.7173.3-167.300108.1
120C32.7Very low49Very low91 Ų91100 Ų10062%0.61556%0.562SS**  trans-111.679.8175.7-740000109A118 E122A118-C120 PolarHBondContact O-N 3.39Å; C120-E122 PolarHBondContact O-N 3.03Å; C120-E122 VanDerWaalsContact O-N 3.16Å
121T30.1Very low52.1Low122 Ų12294.5 Ų94.575%0.74853%0.526SS*.  trans-82.272179.542.70000111.8
122E43.1Very low55.1Low90 Ų9089.9 Ų89.942%0.42151%0.507SS..  trans-131.199.4160-71.4-178.8-159.800108.2C120 K166C120-E122 PolarHBondContact O-N 3.03Å; C120-E122 VanDerWaalsContact O-N 3.16Å; E122-K166 IonicContact OE1-NZ 2.74Å; E122-K166 PolarHBondContact OE2-N 3.08Å
123R52Low58.1Low220 Ų22080.9 Ų80.983%0.8347%0.468SS*.  trans-51141.2176.9-70.4-179.5174.5178.9-2.2109.7R162R123-R162 PolarHBondContact O-NH1 3.41Å; R123-R162 PolarHBondContact O-NH2 3.2Å
124E65.2Low61.1Low90 Ų9080.7 Ų80.742%0.42145%0.449SS..  trans-58.2160.1177.4-65.9164.7178.700112.1L104 N108 P126 R162L104-E124 WeakPolarHBondContact O-CG 3.5Å; N108-E124 PolarHBondContact N-OE1 3.48Å; E124-P126 WeakPolarHBondContact O-CD 3.41Å; E124-R162 PolarHBondContact O-NH2 3.31Å
125I70.4Confident64Low14 Ų1475.9 Ų75.97%0.07241%0.414CS..  trans-95.4103.4168.9-59163.1000106.1F150 A159 M178I125-F150 HydrophobicContact CG2-CD1 4.27Å; I125-F150 HydrophobicContact CG2-CE1 3.6Å; I125-F150 HydrophobicContact CG2-CZ 4.36Å; I125-A159 HydrophobicContact CD1-CB 3.9Å; I125-A159 HydrophobicContact CG2-CB 4.08Å; I125-M178 HydrophobicContact CD1-CE 3.97Å; I125-M178 HydrophobicContact CD1-SD 3.46Å; I125-M178 WeakPolarHBondContact CD1-SD 3.14Å
126P77.7Confident67.1Low78 Ų7874.4 Ų74.451%0.50639%0.39SS..THydrogen-bonded Turntrans-69.9172.8178.632.4-36.7000110.4E105 E124 S155E105-P126 VanDerWaalsContact OE1-CA 3.28Å; E105-P126 WeakPolarHBondContact OE1-CA 3.33Å; E124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-S155 WeakPolarHBondContact O-CB 3.28Å; P126-S155 PolarHBondContact O-OG 2.86Å
127G84.6Confident69.9Low7 Ų769.7 Ų69.77%0.07238%0.377CS..THydrogen-bonded Turntrans89.7-6.4171.300000117.5R79 E105 V129 F150 A151R79-G127 PolarHBondContact NH2-O 3.36Å; E105-G127 WeakPolarHBondContact OE1-CA 3.46Å; E105-G127 PolarHBondContact OE1-N 2.88Å; G127-V129 WeakPolarHBondContact O-CG1 3.29Å; G127-V129 PolarHBondContact O-N 3.07Å; G127-F150 CarbonylContact O-C 3.41Å; G127-F150 VanDerWaalsContact O-CA 3.27Å; G127-F150 WeakPolarHBondContact O-CA 3.43Å; G127-A151 VanDerWaalsContact O-CB 3.31Å; G127-A151 WeakPolarHBondContact O-CB 3.16Å; G127-A151 PolarHBondContact O-N 3.13Å
128V87.8Confident72.8Confident18 Ų1869.2 Ų69.211%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-53.2116.9170.6-176.70000112.9R79 E105 V131 V148 A149 F150R79-V128 VanDerWaalsContact NH2-C 3.29Å; R79-V128 PolarHBondContact NH2-O 3.34Å; E105-V128 HydrophobicContact CG-CB 3.6Å; E105-V128 HydrophobicContact CG-CG2 3.97Å; E105-V128 WeakPolarHBondContact OE1-CA 3.26Å; E105-V128 WeakPolarHBondContact OE1-CB 3.42Å; E105-V128 WeakPolarHBondContact OE1-CG2 3.45Å; E105-V128 PolarHBondContact OE1-N 2.82Å; E105-V128 PolarHBondContact OE2-N 3.32Å; V128-V131 HydrophobicContact CG1-CG2 3.69Å; V128-V148 HydrophobicContact CB-CG1 4.28Å; V128-V148 HydrophobicContact CG1-CG1 3.64Å; V128-V148 HydrophobicContact CG2-CG1 3.77Å; V128-A149 CarbonylContact C-O 3.56Å; V128-A149 WeakPolarHBondContact CA-O 3.37Å; V128-F150 HydrophobicContact CG2-CD1 4.05Å; V128-F150 HydrophobicContact CG2-CE1 3.71Å
129V90.6Very high75.4Confident2 Ų269.1 Ų69.11%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-108.4-17.5178.5-64.20000113.2V73 S74 R79 V81 G127 A149 A151V73-V129 WeakPolarHBondContact CA-O 3.41Å; S74-V129 PolarHBondContact N-O 2.9Å; R79-V129 HydrophobicContact CB-CG1 3.73Å; V81-V129 HydrophobicContact CB-CG2 4.47Å; V81-V129 HydrophobicContact CG2-CG2 4Å; G127-V129 WeakPolarHBondContact O-CG1 3.29Å; G127-V129 PolarHBondContact O-N 3.07Å; V129-A149 HydrophobicContact CG2-CB 3.89Å; V129-A149 WeakPolarHBondContact CG2-O 3.31Å; V129-A149 PolarHBondContact N-O 3.11Å; V129-A151 HydrophobicContact CG1-CB 3.51Å
130M92Very high78.1Confident24 Ų2464.5 Ų64.512%0.11834%0.337CS..EExtended strand (participates in β ladder)trans-154.3138.8178.6-179.3-172.976.900109.8L71 A72 V73 V81 I86 V148 A149L71-M130 HydrophobicContact CD1-CG 3.89Å; L71-M130 HydrophobicContact CD1-SD 4.14Å; A72-M130 CarbonylContact O-C 3.55Å; A72-M130 VanDerWaalsContact O-CA 3.26Å; A72-M130 WeakPolarHBondContact O-CA 3.47Å; V73-M130 HydrophobicContact CG2-CG 4.17Å; V81-M130 HydrophobicContact CG1-CE 4.48Å; V81-M130 HydrophobicContact CG1-SD 4.42Å; V81-M130 HydrophobicContact CG2-CB 4.06Å; I86-M130 HydrophobicContact CD1-CE 4.36Å; M130-V148 CarbonylContact O-C 3.57Å; M130-V148 WeakPolarHBondContact O-CA 3.18Å; M130-A149 HydrophobicContact CB-CB 3.97Å; M130-A149 HydrophobicContact CE-CB 4.11Å; M130-A149 PolarHBondContact N-O 2.86Å; M130-A149 PolarHBondContact O-N 3.25Å
131V93.7Very high80.8Confident1 Ų162.6 Ų62.61%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-123.5128.1165.1-179.40000108.4L71 A72 A98 M101 A102 V128 A146 V148L71-V131 WeakPolarHBondContact CA-O 3.39Å; A72-V131 PolarHBondContact N-O 2.75Å; A72-V131 PolarHBondContact O-N 2.83Å; A98-V131 HydrophobicContact CB-CB 4.17Å; A98-V131 HydrophobicContact CB-CG1 4.02Å; M101-V131 HydrophobicContact CB-CB 4.43Å; M101-V131 HydrophobicContact CB-CG1 3.85Å; M101-V131 HydrophobicContact CB-CG2 4.04Å; M101-V131 HydrophobicContact CE-CG1 4.3Å; M101-V131 HydrophobicContact CG-CG1 4.41Å; M101-V131 HydrophobicContact SD-CG1 3.84Å; A102-V131 HydrophobicContact CB-CG2 4.01Å; V128-V131 HydrophobicContact CG1-CG2 3.69Å; V131-A146 HydrophobicContact CG1-CB 4.28Å; V131-V148 HydrophobicContact CG1-CG2 4.43Å; V131-V148 HydrophobicContact CG2-CG1 4.38Å; V131-V148 HydrophobicContact CG2-CG2 4.34Å
132N94.2Very high83.8Confident48 Ų4856.9 Ų56.926%0.25728%0.282SS..EExtended strand (participates in β ladder)trans-126.5111.1173.2-175.2-10.8000109.4Q70 L71 A146 K147Q70-N132 WeakPolarHBondContact O-CA 3.4Å; L71-N132 HydrophobicContact CD1-CB 3.96Å; N132-A146 CarbonylContact O-C 3.55Å; N132-A146 WeakPolarHBondContact O-CA 3.28Å; N132-K147 PolarHBondContact N-O 3.04Å; N132-K147 PolarHBondContact O-N 3.43Å
133I95.1Very high86.2Confident1 Ų156.7 Ų56.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-75.8131.2178.1-69.5171.3000109.3W65 Q70 I92 M96 A98 M101 P142 A146W65-I133 HydrophobicContact CH2-CB 4.4Å; W65-I133 HydrophobicContact CH2-CD1 3.78Å; W65-I133 HydrophobicContact CH2-CG2 4.16Å; W65-I133 HydrophobicContact CZ2-CG2 4.33Å; W65-I133 HydrophobicContact CZ3-CD1 4.49Å; Q70-I133 HydrophobicContact CG-CB 4.44Å; Q70-I133 VanDerWaalsContact CG-O 3.24Å; Q70-I133 WeakPolarHBondContact CG-O 3.45Å; Q70-I133 PolarHBondContact NE2-O 2.72Å; Q70-I133 PolarHBondContact O-N 3.22Å; I92-I133 HydrophobicContact CD1-CG1 4.15Å; M96-I133 WeakPolarHBondContact O-CD1 3.32Å; A98-I133 HydrophobicContact CB-CD1 4.1Å; A98-I133 HydrophobicContact CB-CG1 4.31Å; A98-I133 VanDerWaalsContact N-CD1 3.3Å; M101-I133 HydrophobicContact SD-CG1 4.41Å; I133-P142 HydrophobicContact CG2-CB 3.84Å; I133-P142 HydrophobicContact CG2-CG 4.09Å; I133-A146 HydrophobicContact CG1-CB 4.17Å
134E94.7Very high88.1Confident65 Ų6546.5 Ų46.530%0.30424%0.243SC..EExtended strand (participates in β ladder)trans-82.4124.3178.4-158.5166.1-120.900110.6K143 V145 K147E134-K143 PolarHBondContact O-N 3.26Å; E134-V145 HydrophobicContact CB-CG2 3.46Å; E134-V145 VanDerWaalsContact CB-CG2 3.46Å; E134-V145 HydrophobicContact CG-CG2 4.24Å; E134-V145 PolarHBondContact N-O 3.02Å; E134-V145 WeakPolarHBondContact OE2-CG2 3.22Å; E134-K147 IonicContact OE1-NZ 2.76Å; E134-K147 PolarHBondContact OE1-NZ 3.47Å
135T93.9Very high89.5Confident20 Ų2043.4 Ų43.412%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-104161.6178.253.60000111W65 Q70 Y141W65-T135 HydrophobicContact CZ2-CG2 4.48Å; Q70-T135 HydrophobicContact CG-CG2 4.25Å; T135-Y141 CarbonylContact C-O 3.59Å; T135-Y141 VanDerWaalsContact CA-O 3.3Å; T135-Y141 WeakPolarHBondContact CA-O 3.3Å
136D92Very high90.7Very high37 Ų3742.7 Ų42.720%0.19823%0.227CC..PPolyproline II helixtrans-71.7126.3166.2-165.5-84.5000111.6H138 L139 D140 Y141 K143D136-H138 PolarHBondContact O-N 3.43Å; D136-H138 VanDerWaalsContact O-N 3.08Å; D136-H138 WeakPolarHBondContact OD1-CB 3.21Å; D136-H138 IonicContact OD1-CD2 3.95Å; D136-H138 PolarHBondContact OD1-N 2.98Å; D136-L139 HydrophobicContact CB-CB 4.04Å; D136-L139 HydrophobicContact CB-CD1 4.19Å; D136-L139 HydrophobicContact CB-CG 4.2Å; D136-L139 PolarHBondContact O-N 2.8Å; D136-L139 VanDerWaalsContact O-N 3.13Å; D136-L139 PolarHBondContact OD1-N 2.78Å; D136-D140 WeakPolarHBondContact O-CA 3.46Å; D136-D140 PolarHBondContact O-N 3.31Å; D136-Y141 PolarHBondContact N-O 3.33Å; D136-K143 VanDerWaalsContact CB-CE 3.44Å; D136-K143 WeakPolarHBondContact OD2-CE 3.22Å; D136-K143 IonicContact OD2-NZ 2.89Å; D136-K143 PolarHBondContact OD2-NZ 3.32Å
137P89Confident91.5Very high94 Ų9441.2 Ų41.261%0.6121%0.212SC*.THydrogen-bonded Turntrans-65-15.1-174.827.6-36.5000113.6
138H87.6Confident91.9Very high165 Ų16541 Ų4176%0.76421%0.21SC*.THydrogen-bonded Turntrans-101.7-18.7177.3-59-59.7000113.4D136D136-H138 PolarHBondContact O-N 3.43Å; D136-H138 VanDerWaalsContact O-N 3.08Å; D136-H138 WeakPolarHBondContact OD1-CB 3.21Å; D136-H138 IonicContact OD1-CD2 3.95Å; D136-H138 PolarHBondContact OD1-N 2.98Å
139L86.5Confident92.2Very high85 Ų8540.1 Ų40.145%0.44521%0.205SC..THydrogen-bonded Turntrans-118.9-10.6-171.5-48.2171.9000113I8 D136 Y141I8-L139 HydrophobicContact CD1-CD1 3.8Å; I8-L139 HydrophobicContact CD1-CD2 4.19Å; I8-L139 HydrophobicContact CD1-CG 4.4Å; I8-L139 HydrophobicContact CG2-CD2 4.12Å; D136-L139 HydrophobicContact CB-CB 4.04Å; D136-L139 HydrophobicContact CB-CD1 4.19Å; D136-L139 HydrophobicContact CB-CG 4.2Å; D136-L139 PolarHBondContact O-N 2.8Å; D136-L139 VanDerWaalsContact O-N 3.13Å; D136-L139 PolarHBondContact OD1-N 2.78Å; L139-Y141 PolarHBondContact O-N 3.14Å
140D86.5Confident92.1Very high82 Ų8240 Ų4044%0.43920%0.204SC..  trans47.730.4-171.9-64.9-45.4000113.6W65 L67 D136W65-D140 PolarHBondContact NE1-O 2.81Å; L67-D140 HydrophobicContact CD2-CB 3.8Å; D136-D140 WeakPolarHBondContact O-CA 3.46Å; D136-D140 PolarHBondContact O-N 3.31Å
141Y90.3Very high92Very high52 Ų5240 Ų4020%0.20421%0.207CC..  trans-112.5137.7-174.8-170.7-103.4000111.7F6 W65 R94 T135 D136 L139 K143F6-Y141 HydrophobicContact CD1-CE1 4.14Å; F6-Y141 AromaticContact CD1-CZ 3.83Å; F6-Y141 WeakPolarHBondContact CD1-OH 3.42Å; F6-Y141 HydrophobicContact CE1-CE1 4.38Å; F6-Y141 WeakPolarHBondContact CE1-OH 3.44Å; W65-Y141 HydrophobicContact CB-CD2 4.15Å; W65-Y141 HydrophobicContact CB-CE2 4.17Å; W65-Y141 HydrophobicContact CG-CD2 4.48Å; R94-Y141 HydrophobicContact CB-CE1 4.23Å; T135-Y141 CarbonylContact C-O 3.59Å; T135-Y141 VanDerWaalsContact CA-O 3.3Å; T135-Y141 WeakPolarHBondContact CA-O 3.3Å; D136-Y141 PolarHBondContact N-O 3.33Å; L139-Y141 PolarHBondContact O-N 3.14Å; Y141-K143 PolarHBondContact O-N 2.86Å
142P92.7Very high91.7Very high2 Ų243 Ų431%0.01322%0.223CC..EExtended strand (participates in β ladder)trans-57.4135.2-177.2-30.138.3000114.4W65 R94 I133W65-P142 HydrophobicContact CD2-CG 3.44Å; W65-P142 VanDerWaalsContact CD2-CG 3.44Å; W65-P142 HydrophobicContact CE3-CG 3.55Å; W65-P142 HydrophobicContact CG-CG 4.16Å; W65-P142 HydrophobicContact CH2-CG 3.6Å; W65-P142 HydrophobicContact CZ2-CG 3.48Å; W65-P142 VanDerWaalsContact CZ2-CG 3.48Å; W65-P142 HydrophobicContact CZ3-CG 3.63Å; R94-P142 HydrophobicContact CB-CB 4.28Å; R94-P142 VanDerWaalsContact CD-O 3.23Å; R94-P142 WeakPolarHBondContact CD-O 3.37Å; R94-P142 WeakPolarHBondContact CG-O 3.39Å; R94-P142 WeakPolarHBondContact O-CG 3.35Å; I133-P142 HydrophobicContact CG2-CB 3.84Å; I133-P142 HydrophobicContact CG2-CG 4.09Å
143K93.3Very high91.4Very high86 Ų8644.4 Ų44.437%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-84.3-13.8176-65.6-170.4-179.5-173.20113.8R94 E134 D136 Y141 V145R94-K143 PolarHBondContact NE-O 2.87Å; E134-K143 PolarHBondContact O-N 3.26Å; D136-K143 VanDerWaalsContact CB-CE 3.44Å; D136-K143 WeakPolarHBondContact OD2-CE 3.22Å; D136-K143 IonicContact OD2-NZ 2.89Å; D136-K143 PolarHBondContact OD2-NZ 3.32Å; Y141-K143 PolarHBondContact O-N 2.86Å; K143-V145 HydrophobicContact CB-CG2 4.34Å
144G93.1Very high91Very high6 Ų651.4 Ų51.46%0.06226%0.264CS..EExtended strand (participates in β ladder)trans91.829.1-171.800000112.6G91 I92G91-G144 PolarHBondContact N-O 3.3Å; I92-G144 WeakPolarHBondContact CG1-O 3.26Å; I92-G144 PolarHBondContact N-O 3.03Å; I92-G144 VanDerWaalsContact N-O 3.12Å; I92-G144 VanDerWaalsContact O-CA 3.28Å; I92-G144 WeakPolarHBondContact O-CA 3.18Å
145V94.7Very high90.7Very high24 Ų2448.6 Ų48.615%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-141.3152.7177.6-50.10000110.4F88 F89 E134 K143F88-V145 HydrophobicContact CE1-CB 4.28Å; F88-V145 HydrophobicContact CE1-CG1 4.22Å; F88-V145 HydrophobicContact CE2-CB 3.72Å; F88-V145 HydrophobicContact CE2-CG1 4.32Å; F88-V145 HydrophobicContact CE2-CG2 3.81Å; F88-V145 HydrophobicContact CZ-CB 3.46Å; F88-V145 VanDerWaalsContact CZ-CB 3.46Å; F88-V145 HydrophobicContact CZ-CG1 3.57Å; F88-V145 HydrophobicContact CZ-CG2 3.89Å; F89-V145 CarbonylContact O-C 3.52Å; F89-V145 WeakPolarHBondContact O-CA 3.47Å; E134-V145 HydrophobicContact CB-CG2 3.46Å; E134-V145 VanDerWaalsContact CB-CG2 3.46Å; E134-V145 HydrophobicContact CG-CG2 4.24Å; E134-V145 PolarHBondContact N-O 3.02Å; E134-V145 WeakPolarHBondContact OE2-CG2 3.22Å; K143-V145 HydrophobicContact CB-CG2 4.34Å
146A94.9Very high90.4Very high0 Ų048.1 Ų48.10%025%0.247CC..EExtended strand (participates in β ladder)trans-143.8156.5178.900000112.4F88 F89 I92 M101 V131 N132 I133F88-A146 WeakPolarHBondContact CA-O 3.28Å; F89-A146 HydrophobicContact CB-CB 4.47Å; F89-A146 PolarHBondContact N-O 3.01Å; F89-A146 PolarHBondContact O-N 2.79Å; I92-A146 HydrophobicContact CD1-CB 3.75Å; M101-A146 HydrophobicContact CE-CB 3.99Å; M101-A146 HydrophobicContact SD-CB 3.87Å; V131-A146 HydrophobicContact CG1-CB 4.28Å; N132-A146 CarbonylContact O-C 3.55Å; N132-A146 WeakPolarHBondContact O-CA 3.28Å; I133-A146 HydrophobicContact CG1-CB 4.17Å
147K94.8Very high90.2Very high46 Ų4651.7 Ų51.720%0.226%0.258CS..EExtended strand (participates in β ladder)trans-102.3123.9168.3-65.6170.5-173119.80107.9I86 N132 E134 F181I86-K147 HydrophobicContact CG2-CB 3.95Å; I86-K147 HydrophobicContact CG2-CG 4.49Å; N132-K147 PolarHBondContact N-O 3.04Å; N132-K147 PolarHBondContact O-N 3.43Å; E134-K147 IonicContact OE1-NZ 2.76Å; E134-K147 PolarHBondContact OE1-NZ 3.47Å; K147-F181 HydrophobicContact CD-CE1 4.34Å; K147-F181 HydrophobicContact CD-CE2 4.12Å; K147-F181 HydrophobicContact CD-CZ 3.98Å; K147-F181 VanDerWaalsContact CE-CE2 3.45Å; K147-F181 VanDerWaalsContact CE-CZ 3.49Å; K147-F181 HydrophobicContact CG-CD2 4.48Å; K147-F181 HydrophobicContact CG-CE2 4.43Å
148V93.4Very high90Very high3 Ų349.5 Ų49.52%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-120.1119.2-176.9-177.70000108.5I86 A87 F89 M101 V128 M130 V131 F150I86-V148 CarbonylContact C-O 3.55Å; I86-V148 VanDerWaalsContact CA-O 3.31Å; I86-V148 WeakPolarHBondContact CA-O 3.49Å; A87-V148 PolarHBondContact N-O 3.28Å; A87-V148 PolarHBondContact O-N 2.89Å; F89-V148 HydrophobicContact CB-CG2 4.27Å; F89-V148 HydrophobicContact CD1-CG2 4.11Å; F89-V148 HydrophobicContact CD2-CB 3.72Å; F89-V148 HydrophobicContact CD2-CG2 3.39Å; F89-V148 HydrophobicContact CE1-CG2 4.33Å; F89-V148 HydrophobicContact CE2-CB 3.56Å; F89-V148 HydrophobicContact CE2-CG1 4.07Å; F89-V148 HydrophobicContact CE2-CG2 3.65Å; F89-V148 HydrophobicContact CG-CB 4.47Å; F89-V148 HydrophobicContact CG-CG2 3.67Å; F89-V148 HydrophobicContact CZ-CB 4.19Å; F89-V148 HydrophobicContact CZ-CG1 4.26Å; F89-V148 HydrophobicContact CZ-CG2 4.12Å; M101-V148 HydrophobicContact CE-CG2 4.03Å; V128-V148 HydrophobicContact CB-CG1 4.28Å; V128-V148 HydrophobicContact CG1-CG1 3.64Å; V128-V148 HydrophobicContact CG2-CG1 3.77Å; M130-V148 CarbonylContact O-C 3.57Å; M130-V148 WeakPolarHBondContact O-CA 3.18Å; V131-V148 HydrophobicContact CG1-CG2 4.43Å; V131-V148 HydrophobicContact CG2-CG1 4.38Å; V131-V148 HydrophobicContact CG2-CG2 4.34Å; V148-F150 HydrophobicContact CG1-CE1 4.29Å; V148-F150 HydrophobicContact CG1-CE2 4.21Å; V148-F150 HydrophobicContact CG1-CZ 3.89Å
149A92.3Very high89.9Confident0 Ų041.6 Ų41.60%020%0.203CC..EExtended strand (participates in β ladder)trans-98.3143.3177.600000111.1V81 R85 I86 V128 V129 M130V81-A149 HydrophobicContact CG1-CB 4.05Å; R85-A149 CarbonylContact O-C 3.5Å; R85-A149 WeakPolarHBondContact O-CA 3.39Å; I86-A149 HydrophobicContact CD1-CB 4.46Å; I86-A149 HydrophobicContact CG1-CB 3.81Å; V128-A149 CarbonylContact C-O 3.56Å; V128-A149 WeakPolarHBondContact CA-O 3.37Å; V129-A149 HydrophobicContact CG2-CB 3.89Å; V129-A149 WeakPolarHBondContact CG2-O 3.31Å; V129-A149 PolarHBondContact N-O 3.11Å; M130-A149 HydrophobicContact CB-CB 3.97Å; M130-A149 HydrophobicContact CE-CB 4.11Å; M130-A149 PolarHBondContact N-O 2.86Å; M130-A149 PolarHBondContact O-N 3.25Å
150F90.4Very high89.9Confident0 Ų038 Ų380%018%0.184CC..EExtended strand (participates in β ladder)trans-113.9150.8179.4-56.9-90.7000112.8R85 A87 F89 I125 G127 V128 V148 F156 A159R85-F150 HydrophobicContact CB-CB 4.41Å; R85-F150 WeakPolarHBondContact CB-O 3.34Å; R85-F150 WeakPolarHBondContact CD-O 3.37Å; R85-F150 WeakPolarHBondContact O-CD2 3.48Å; R85-F150 PolarHBondContact O-N 3.16Å; A87-F150 HydrophobicContact CB-CE2 3.87Å; F89-F150 HydrophobicContact CE2-CE2 4.49Å; F89-F150 HydrophobicContact CE2-CZ 4.08Å; F89-F150 HydrophobicContact CZ-CZ 4.09Å; I125-F150 HydrophobicContact CG2-CD1 4.27Å; I125-F150 HydrophobicContact CG2-CE1 3.6Å; I125-F150 HydrophobicContact CG2-CZ 4.36Å; G127-F150 CarbonylContact O-C 3.41Å; G127-F150 VanDerWaalsContact O-CA 3.27Å; G127-F150 WeakPolarHBondContact O-CA 3.43Å; V128-F150 HydrophobicContact CG2-CD1 4.05Å; V128-F150 HydrophobicContact CG2-CE1 3.71Å; V148-F150 HydrophobicContact CG1-CE1 4.29Å; V148-F150 HydrophobicContact CG1-CE2 4.21Å; V148-F150 HydrophobicContact CG1-CZ 3.89Å; F150-F156 HydrophobicContact CB-CB 4.04Å; F150-F156 HydrophobicContact CD2-CB 3.9Å; F150-F156 AromaticContact CD2-CD2 3.7Å; F150-F156 HydrophobicContact CD2-CD2 3.7Å; F150-F156 HydrophobicContact CD2-CG 4.29Å; F150-F156 HydrophobicContact CE2-CD2 4.03Å; F150-F156 HydrophobicContact CG-CB 4.15Å; F150-A159 HydrophobicContact CE1-CB 4.12Å; F150-A159 HydrophobicContact CE2-CB 3.97Å; F150-A159 HydrophobicContact CZ-CB 3.49Å; F150-A159 VanDerWaalsContact CZ-CB 3.49Å
151A89.4Confident89.8Confident23 Ų2340.5 Ų40.519%0.1919%0.188CC..SBendtrans-69.4-36.5-176.500000111.7R85 G127 V129R85-A151 PolarHBondContact NH1-O 3.13Å; G127-A151 VanDerWaalsContact O-CB 3.31Å; G127-A151 WeakPolarHBondContact O-CB 3.16Å; G127-A151 PolarHBondContact O-N 3.13Å; V129-A151 HydrophobicContact CG1-CB 3.51Å
152N87.3Confident89.4Confident63 Ų6340.5 Ų40.534%0.33719%0.187SC..SBendtrans-140.1161.8-173.961.161.8000111.1E154 S155 F156N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 2.8Å; N152-E154 PolarHBondContact OD1-N 3.47Å; N152-S155 PolarHBondContact ND2-OG 2.98Å; N152-S155 VanDerWaalsContact OD1-CB 3.26Å; N152-S155 WeakPolarHBondContact OD1-CB 3.32Å; N152-S155 PolarHBondContact OD1-N 2.85Å; N152-S155 PolarHBondContact OD1-OG 3.12Å; N152-F156 PolarHBondContact O-N 2.83Å
153D87.5Confident89Confident78 Ų7846.6 Ų46.642%0.41721%0.21SC..Hα-helixtrans-65.7-38.4-177.9-61.2-55.2000111.1R85 S155 F156 R157R85-D153 IonicContact CZ-OD1 3.53Å; R85-D153 IonicContact CZ-OD2 3.5Å; R85-D153 VanDerWaalsContact NE-CG 3.33Å; R85-D153 IonicContact NE-OD1 2.76Å; R85-D153 PolarHBondContact NE-OD1 2.74Å; R85-D153 IonicContact NE-OD2 3.53Å; R85-D153 IonicContact NH2-OD1 3.46Å; R85-D153 PolarHBondContact NH2-OD1 2.87Å; R85-D153 IonicContact NH2-OD2 2.76Å; R85-D153 PolarHBondContact NH2-OD2 2.89Å; D153-S155 VanDerWaalsContact C-N 3.33Å; D153-S155 PolarHBondContact O-N 3.03Å; D153-F156 PolarHBondContact O-N 3.42Å; D153-R157 WeakPolarHBondContact O-CB 3.38Å; D153-R157 WeakPolarHBondContact O-CG 3.47Å; D153-R157 PolarHBondContact O-N 3.45Å
154E87.4Confident88.7Confident149 Ų14947.1 Ų47.170%0.69621%0.212SC*.Hα-helixtrans-54.4-47.6178.8-175.4177.5-175.500112.8N152 R157 E158N152-E154 VanDerWaalsContact C-N 3.34Å; N152-E154 PolarHBondContact O-N 2.8Å; N152-E154 PolarHBondContact OD1-N 3.47Å; E154-R157 PolarHBondContact O-N 3.49Å; E154-E158 WeakPolarHBondContact O-CB 3.39Å; E154-E158 PolarHBondContact O-N 3.21Å
155S87.6Confident88.2Confident6 Ų648 Ų484%0.04222%0.216CC..Hα-helixtrans-62.5-46.5177.8-620000112.2P126 N152 D153 E158 A159P126-S155 WeakPolarHBondContact O-CB 3.28Å; P126-S155 PolarHBondContact O-OG 2.86Å; N152-S155 PolarHBondContact ND2-OG 2.98Å; N152-S155 VanDerWaalsContact OD1-CB 3.26Å; N152-S155 WeakPolarHBondContact OD1-CB 3.32Å; N152-S155 PolarHBondContact OD1-N 2.85Å; N152-S155 PolarHBondContact OD1-OG 3.12Å; D153-S155 VanDerWaalsContact C-N 3.33Å; D153-S155 PolarHBondContact O-N 3.03Å; S155-E158 PolarHBondContact O-N 3.02Å; S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.08Å
156F88.1Confident87.6Confident9 Ų952.6 Ų52.64%0.03923%0.234CC..Hα-helixtrans-61.4-45.4176.5175.1-123.4000111.9R85 I86 A87 F150 N152 D153 A159 L160 Y204 F213R85-F156 HydrophobicContact CB-CB 4.17Å; R85-F156 HydrophobicContact CB-CG 4.18Å; R85-F156 HydrophobicContact CG-CB 4.49Å; I86-F156 VanDerWaalsContact C-CE2 3.49Å; I86-F156 VanDerWaalsContact O-CE2 3.26Å; I86-F156 WeakPolarHBondContact O-CE2 3.34Å; A87-F156 HydrophobicContact CB-CD2 4.42Å; A87-F156 HydrophobicContact CB-CE2 4.1Å; F150-F156 HydrophobicContact CB-CB 4.04Å; F150-F156 HydrophobicContact CD2-CB 3.9Å; F150-F156 AromaticContact CD2-CD2 3.7Å; F150-F156 HydrophobicContact CD2-CD2 3.7Å; F150-F156 HydrophobicContact CD2-CG 4.29Å; F150-F156 HydrophobicContact CE2-CD2 4.03Å; F150-F156 HydrophobicContact CG-CB 4.15Å; N152-F156 PolarHBondContact O-N 2.83Å; D153-F156 PolarHBondContact O-N 3.42Å; F156-A159 WeakPolarHBondContact O-CB 3.41Å; F156-A159 PolarHBondContact O-N 3.16Å; F156-L160 HydrophobicContact CD1-CD1 4.48Å; F156-L160 HydrophobicContact CD2-CD1 4.14Å; F156-L160 HydrophobicContact CD2-CG 4.42Å; F156-L160 HydrophobicContact CE1-CD1 3.9Å; F156-L160 HydrophobicContact CE2-CD1 3.48Å; F156-L160 VanDerWaalsContact CE2-CD1 3.48Å; F156-L160 HydrophobicContact CE2-CG 4.09Å; F156-L160 HydrophobicContact CZ-CD1 3.36Å; F156-L160 HydrophobicContact CZ-CG 4.42Å; F156-L160 WeakPolarHBondContact O-CG 3.2Å; F156-L160 PolarHBondContact O-N 3.34Å; F156-Y204 HydrophobicContact CE1-CE2 4.39Å; F156-F213 HydrophobicContact CE1-CE2 4.27Å; F156-F213 HydrophobicContact CZ-CE2 4.26Å; F156-F213 HydrophobicContact CZ-CZ 4.32Å
157R86.6Confident86.8Confident112 Ų11253 Ų5342%0.42324%0.236SC..Hα-helixtrans-64.1-41178.3-67-164.7-71.6178.3-1.6111.6D153 E154 A159 L160 R161 V211D153-R157 WeakPolarHBondContact O-CB 3.38Å; D153-R157 WeakPolarHBondContact O-CG 3.47Å; D153-R157 PolarHBondContact O-N 3.45Å; E154-R157 PolarHBondContact O-N 3.49Å; R157-A159 PolarHBondContact O-N 2.93Å; R157-L160 PolarHBondContact O-N 3.04Å; R157-R161 VanDerWaalsContact O-CB 3.28Å; R157-R161 WeakPolarHBondContact O-CB 3.08Å; R157-R161 PolarHBondContact O-N 2.83Å; R157-V211 HydrophobicContact CB-CG1 3.81Å; R157-V211 VanDerWaalsContact CD-CB 3.5Å; R157-V211 VanDerWaalsContact CD-CG1 3.48Å; R157-V211 HydrophobicContact CG-CB 3.92Å; R157-V211 HydrophobicContact CG-CG1 3.27Å; R157-V211 HydrophobicContact CG-CG2 4.44Å
158E85.3Confident86Confident48 Ų4857 Ų5722%0.22426%0.255CS..Hα-helixtrans-63-41.3177.3178.260.4-17200111.8E154 S155 L160 R161 R162E154-E158 WeakPolarHBondContact O-CB 3.39Å; E154-E158 PolarHBondContact O-N 3.21Å; S155-E158 PolarHBondContact O-N 3.02Å; E158-L160 PolarHBondContact O-N 3.38Å; E158-R161 VanDerWaalsContact CD-NH2 3.27Å; E158-R161 PolarHBondContact O-N 3.29Å; E158-R161 IonicContact OE1-CZ 3.32Å; E158-R161 IonicContact OE1-NE 2.78Å; E158-R161 IonicContact OE1-NH2 2.72Å; E158-R161 PolarHBondContact OE1-NH2 3.37Å; E158-R161 IonicContact OE2-CZ 3.92Å; E158-R161 VanDerWaalsContact OE2-CZ 3.31Å; E158-R161 IonicContact OE2-NE 3.93Å; E158-R161 PolarHBondContact OE2-NE 3.2Å; E158-R161 IonicContact OE2-NH2 3.99Å; E158-R161 PolarHBondContact OE2-NH2 3.39Å; E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.45Å; E158-R162 VanDerWaalsContact O-N 3.1Å; E158-R162 IonicContact OE1-CZ 2.9Å; E158-R162 VanDerWaalsContact OE1-CZ 3.31Å; E158-R162 IonicContact OE1-NE 2.83Å; E158-R162 PolarHBondContact OE1-NE 2.84Å; E158-R162 IonicContact OE1-NH2 3.07Å; E158-R162 PolarHBondContact OE1-NH2 3.36Å; E158-R162 VanDerWaalsContact OE1-NH2 3.07Å
159A86Confident85.2Confident0 Ų057.9 Ų57.90%026%0.259CS..Hα-helixtrans-57-49.6174.100000111.7I125 F150 S155 F156 R157 R162 R163 M178I125-A159 HydrophobicContact CD1-CB 3.9Å; I125-A159 HydrophobicContact CG2-CB 4.08Å; F150-A159 HydrophobicContact CE1-CB 4.12Å; F150-A159 HydrophobicContact CE2-CB 3.97Å; F150-A159 HydrophobicContact CZ-CB 3.49Å; F150-A159 VanDerWaalsContact CZ-CB 3.49Å; S155-A159 PolarHBondContact O-N 3.1Å; S155-A159 VanDerWaalsContact O-N 3.08Å; F156-A159 WeakPolarHBondContact O-CB 3.41Å; F156-A159 PolarHBondContact O-N 3.16Å; R157-A159 PolarHBondContact O-N 2.93Å; A159-R162 PolarHBondContact O-N 3Å; A159-R163 PolarHBondContact O-N 3.21Å; A159-M178 HydrophobicContact CB-SD 4.05Å; A159-M178 WeakPolarHBondContact O-CE 3.45Å
160L86.7Confident84.5Confident9 Ų963.6 Ų63.65%0.04729%0.285CS..Hα-helixtrans-72.6-31.7-176.9-62.7-175.6000112.9A87 F156 R157 E158 R162 R163 P180 Y204A87-L160 HydrophobicContact CB-CD2 3.88Å; F156-L160 HydrophobicContact CD1-CD1 4.48Å; F156-L160 HydrophobicContact CD2-CD1 4.14Å; F156-L160 HydrophobicContact CD2-CG 4.42Å; F156-L160 HydrophobicContact CE1-CD1 3.9Å; F156-L160 HydrophobicContact CE2-CD1 3.48Å; F156-L160 VanDerWaalsContact CE2-CD1 3.48Å; F156-L160 HydrophobicContact CE2-CG 4.09Å; F156-L160 HydrophobicContact CZ-CD1 3.36Å; F156-L160 HydrophobicContact CZ-CG 4.42Å; F156-L160 WeakPolarHBondContact O-CG 3.2Å; F156-L160 PolarHBondContact O-N 3.34Å; R157-L160 PolarHBondContact O-N 3.04Å; E158-L160 PolarHBondContact O-N 3.38Å; L160-R162 VanDerWaalsContact C-N 3.33Å; L160-R163 PolarHBondContact O-N 3.46Å; L160-P180 HydrophobicContact CD1-CB 3.91Å; L160-P180 VanDerWaalsContact CD2-N 3.33Å; L160-Y204 HydrophobicContact CB-CE1 4.5Å; L160-Y204 HydrophobicContact CD1-CE1 3.65Å; L160-Y204 HydrophobicContact CD1-CE2 4.23Å; L160-Y204 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y204 WeakPolarHBondContact CD1-OH 3.47Å
161R82.9Confident83.9Confident134 Ų13471.4 Ų71.451%0.50632%0.322SS..Hα-helixtrans-62.7-40.9173.3-171.5-167.666.373.4-0.4111.5R157 E158R157-R161 VanDerWaalsContact O-CB 3.28Å; R157-R161 WeakPolarHBondContact O-CB 3.08Å; R157-R161 PolarHBondContact O-N 2.83Å; E158-R161 VanDerWaalsContact CD-NH2 3.27Å; E158-R161 PolarHBondContact O-N 3.29Å; E158-R161 IonicContact OE1-CZ 3.32Å; E158-R161 IonicContact OE1-NE 2.78Å; E158-R161 IonicContact OE1-NH2 2.72Å; E158-R161 PolarHBondContact OE1-NH2 3.37Å; E158-R161 IonicContact OE2-CZ 3.92Å; E158-R161 VanDerWaalsContact OE2-CZ 3.31Å; E158-R161 IonicContact OE2-NE 3.93Å; E158-R161 PolarHBondContact OE2-NE 3.2Å; E158-R161 IonicContact OE2-NH2 3.99Å; E158-R161 PolarHBondContact OE2-NH2 3.39Å
162R83.9Confident83.2Confident52 Ų5273.6 Ų73.620%0.19633%0.333CS..Hα-helixtrans-70.7-35.8179.5-72-177.4-171.3-178.79.2112.8R123 E124 E158 A159 L160 F164 M178R123-R162 PolarHBondContact O-NH1 3.41Å; R123-R162 PolarHBondContact O-NH2 3.2Å; E124-R162 PolarHBondContact O-NH2 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.49Å; E158-R162 PolarHBondContact O-N 3.45Å; E158-R162 VanDerWaalsContact O-N 3.1Å; E158-R162 IonicContact OE1-CZ 2.9Å; E158-R162 VanDerWaalsContact OE1-CZ 3.31Å; E158-R162 IonicContact OE1-NE 2.83Å; E158-R162 PolarHBondContact OE1-NE 2.84Å; E158-R162 IonicContact OE1-NH2 3.07Å; E158-R162 PolarHBondContact OE1-NH2 3.36Å; E158-R162 VanDerWaalsContact OE1-NH2 3.07Å; A159-R162 PolarHBondContact O-N 3Å; L160-R162 VanDerWaalsContact C-N 3.33Å; R162-F164 PolarHBondContact O-N 2.72Å; R162-M178 HydrophobicContact CB-CE 3.75Å
163R83.8Confident82.9Confident130 Ų13075 Ų7549%0.49134%0.339SS..  trans61.5-33.6179.9-175.5179.5176.5178.21.2115.7A159 L160 E177 M178A159-R163 PolarHBondContact O-N 3.21Å; L160-R163 PolarHBondContact O-N 3.46Å; R163-E177 IonicContact NE-OE1 3.27Å; R163-E177 IonicContact NH2-OE1 2.78Å; R163-E177 CarbonylContact O-C 3.56Å; R163-E177 WeakPolarHBondContact O-CA 3.32Å; R163-M178 PolarHBondContact O-N 3.5Å
164F86.7Confident82.6Confident97 Ų9775.8 Ų75.843%0.42534%0.339SS..EExtended strand (participates in β ladder)trans-128.7140.7176.8-60.1-76.1000109.7R162 V175 V176 E177R162-F164 PolarHBondContact O-N 2.72Å; F164-V175 HydrophobicContact CB-CG1 4.07Å; F164-V175 HydrophobicContact CD1-CG1 3.92Å; F164-V175 HydrophobicContact CG-CG1 4.36Å; F164-V176 CarbonylContact C-O 3.47Å; F164-V176 VanDerWaalsContact CA-O 3.3Å; F164-V176 WeakPolarHBondContact CA-O 3.27Å; F164-E177 HydrophobicContact CD1-CB 4.06Å; F164-E177 HydrophobicContact CD1-CG 4.09Å; F164-E177 HydrophobicContact CE1-CB 3.93Å; F164-E177 HydrophobicContact CE1-CG 3.64Å; F164-E177 HydrophobicContact CZ-CG 4.34Å
165L83Confident82.5Confident26 Ų2672.9 Ų72.914%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-128.7128.2175.2178.666.8000108.4V167 V176 M178L165-V167 HydrophobicContact CD2-CG2 3.89Å; L165-V167 HydrophobicContact CG-CG2 3.92Å; L165-V176 PolarHBondContact N-O 3.37Å; L165-V176 PolarHBondContact O-N 3.04Å; L165-M178 HydrophobicContact CB-CE 3.92Å; L165-M178 HydrophobicContact CB-SD 4.39Å
166K82Confident82.6Confident119 Ų11972.8 Ų72.852%0.51733%0.33SS..EExtended strand (participates in β ladder)trans-82.3123.9170.2-68.4179.8-171.6164.90109.3E122 L173 K174 V175E122-K166 IonicContact OE1-NZ 2.74Å; E122-K166 PolarHBondContact OE2-N 3.08Å; K166-L173 HydrophobicContact CB-CD1 4.16Å; K166-K174 WeakPolarHBondContact CA-O 3.36Å; K166-V175 HydrophobicContact CG-CG2 4.48Å
167V78Confident82.7Confident10 Ų1074.8 Ų74.86%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-118.9117.6-178.9-1780000108.9M96 L165 K174 V176M96-V167 HydrophobicContact CE-CG1 3.86Å; L165-V167 HydrophobicContact CD2-CG2 3.89Å; L165-V167 HydrophobicContact CG-CG2 3.92Å; V167-K174 PolarHBondContact N-O 2.81Å; V167-K174 PolarHBondContact O-N 2.89Å; V167-V176 HydrophobicContact CB-CG2 4.24Å; V167-V176 HydrophobicContact CG2-CB 4.3Å; V167-V176 HydrophobicContact CG2-CG2 3.65Å
168H77.4Confident82.9Confident128 Ų12869.6 Ų69.659%0.59332%0.321SS*.EExtended strand (participates in β ladder)trans-82.4119.7166.8-73.9-96.6000108.5L173H168-L173 WeakPolarHBondContact NE2-CD1 3.39Å
169Y77.6Confident83.2Confident23 Ų2371.4 Ų71.49%0.0933%0.328CS..EExtended strand (participates in β ladder)trans-133.3112177.1-176.7-101.1000109.5R63 P93 S95 M96 E100 E171 V172R63-Y169 PolarHBondContact NH2-OH 2.86Å; P93-Y169 HydrophobicContact CB-CD1 3.74Å; P93-Y169 HydrophobicContact CB-CE1 4.02Å; P93-Y169 HydrophobicContact CB-CG 4.32Å; P93-Y169 HydrophobicContact CG-CD1 3.7Å; P93-Y169 HydrophobicContact CG-CE1 4.43Å; P93-Y169 HydrophobicContact CG-CG 3.84Å; S95-Y169 PolarHBondContact O-OH 2.86Å; S95-Y169 VanDerWaalsContact OG-CE1 3.24Å; S95-Y169 WeakPolarHBondContact OG-CE1 3.46Å; S95-Y169 PolarHBondContact OG-OH 2.9Å; M96-Y169 HydrophobicContact CB-CD2 4.46Å; M96-Y169 HydrophobicContact CB-CE2 3.98Å; M96-Y169 HydrophobicContact CE-CD2 3.19Å; M96-Y169 HydrophobicContact CE-CE2 3.83Å; M96-Y169 HydrophobicContact CE-CG 3.64Å; M96-Y169 HydrophobicContact CG-CD2 4.42Å; M96-Y169 HydrophobicContact CG-CE2 4.1Å; E100-Y169 WeakPolarHBondContact OE2-CE2 3.39Å; E100-Y169 PolarHBondContact OE2-OH 2.78Å; Y169-E171 PolarHBondContact O-N 2.58Å; Y169-V172 PolarHBondContact N-O 3.38Å; Y169-V172 PolarHBondContact O-N 3.39Å
170E77.7Confident83.4Confident120 Ų12071.9 Ų71.956%0.56133%0.331SS*.THydrogen-bonded Turntrans54.3-123.2-170.9-53.9-177.9156.900111.3R63 V172R63-E170 IonicContact CZ-OE1 3.68Å; R63-E170 IonicContact CZ-OE2 3.39Å; R63-E170 IonicContact NH1-OE1 3.9Å; R63-E170 PolarHBondContact NH1-OE1 2.89Å; R63-E170 IonicContact NH1-OE2 3.06Å; R63-E170 PolarHBondContact NH1-OE2 3.36Å; R63-E170 IonicContact NH2-OE1 3.77Å; R63-E170 PolarHBondContact NH2-OE1 2.81Å; R63-E170 IonicContact NH2-OE2 2.75Å; E170-V172 VanDerWaalsContact C-N 3.31Å
171E76.5Confident83.7Confident163 Ų16373.8 Ų73.876%0.76234%0.339SS*.THydrogen-bonded Turntrans-89.910.1178.7-61.1177.6-176.500112.5K2 Y169K2-E171 IonicContact NZ-OE1 2.83Å; K2-E171 IonicContact NZ-OE2 3.31Å; K2-E171 PolarHBondContact NZ-OE2 2.99Å; Y169-E171 PolarHBondContact O-N 2.58Å
172V74.7Confident84.1Confident70 Ų7068.3 Ų68.342%0.42432%0.319SS..EExtended strand (participates in β ladder)trans-122.8129.7-171-172.50000111.8Y169 E170 K174Y169-V172 PolarHBondContact N-O 3.38Å; Y169-V172 PolarHBondContact O-N 3.39Å; E170-V172 VanDerWaalsContact C-N 3.31Å; V172-K174 HydrophobicContact CG1-CD 4.14Å; V172-K174 HydrophobicContact CG1-CG 4.12Å
173L80.6Confident84.4Confident91 Ų9167.8 Ų67.848%0.47632%0.319SS..EExtended strand (participates in β ladder)trans-88.5126.5165.7-175.758.2000109.9K166 H168K166-L173 HydrophobicContact CB-CD1 4.16Å; H168-L173 WeakPolarHBondContact NE2-CD1 3.39Å
174K81.6Confident84.6Confident96 Ų9666.4 Ų66.442%0.41733%0.328SS..EExtended strand (participates in β ladder)trans-121149.9174.1-70.7-62.3-172.2179.30110.7P93 K166 V167 V172P93-K174 HydrophobicContact CG-CG 4.17Å; K166-K174 WeakPolarHBondContact CA-O 3.36Å; V167-K174 PolarHBondContact N-O 2.81Å; V167-K174 PolarHBondContact O-N 2.89Å; V172-K174 HydrophobicContact CG1-CD 4.14Å; V172-K174 HydrophobicContact CG1-CG 4.12Å
175V86.2Confident84.9Confident88 Ų8869.4 Ų69.453%0.53334%0.343SS..EExtended strand (participates in β ladder)trans-104.2119.5168.7-1780000107.1F164 K166F164-V175 HydrophobicContact CB-CG1 4.07Å; F164-V175 HydrophobicContact CD1-CG1 3.92Å; F164-V175 HydrophobicContact CG-CG1 4.36Å; K166-V175 HydrophobicContact CG-CG2 4.48Å
176V89.2Confident85.3Confident3 Ų368.3 Ų68.32%0.01834%0.337CS..EExtended strand (participates in β ladder)trans-98.9127.6177.2177.40000108.3F89 G90 I92 F164 L165 V167F89-V176 HydrophobicContact CB-CG1 3.94Å; F89-V176 HydrophobicContact CD1-CG1 3.71Å; F89-V176 HydrophobicContact CG-CG1 4.18Å; G90-V176 CarbonylContact O-C 3.52Å; G90-V176 VanDerWaalsContact O-CA 3.32Å; G90-V176 WeakPolarHBondContact O-CA 3.24Å; G90-V176 WeakPolarHBondContact O-CG1 3.35Å; I92-V176 HydrophobicContact CG2-CG1 3.97Å; I92-V176 HydrophobicContact CG2-CG2 3.92Å; F164-V176 CarbonylContact C-O 3.47Å; F164-V176 VanDerWaalsContact CA-O 3.3Å; F164-V176 WeakPolarHBondContact CA-O 3.27Å; L165-V176 PolarHBondContact N-O 3.37Å; L165-V176 PolarHBondContact O-N 3.04Å; V167-V176 HydrophobicContact CB-CG2 4.24Å; V167-V176 HydrophobicContact CG2-CB 4.3Å; V167-V176 HydrophobicContact CG2-CG2 3.65Å
177E91Very high85.9Confident51 Ų5165 Ų6524%0.23833%0.325CS..EExtended strand (participates in β ladder)trans-92.2130.2175.2-172.2-180-160.200109.8F89 G90 R163 F164 K179F89-E177 CarbonylContact C-O 3.56Å; F89-E177 WeakPolarHBondContact CA-O 3.18Å; G90-E177 PolarHBondContact N-O 2.81Å; G90-E177 PolarHBondContact O-N 3.32Å; R163-E177 IonicContact NE-OE1 3.27Å; R163-E177 IonicContact NH2-OE1 2.78Å; R163-E177 CarbonylContact O-C 3.56Å; R163-E177 WeakPolarHBondContact O-CA 3.32Å; F164-E177 HydrophobicContact CD1-CB 4.06Å; F164-E177 HydrophobicContact CD1-CG 4.09Å; F164-E177 HydrophobicContact CE1-CB 3.93Å; F164-E177 HydrophobicContact CE1-CG 3.64Å; F164-E177 HydrophobicContact CZ-CG 4.34Å; E177-K179 VanDerWaalsContact CD-NZ 3.29Å; E177-K179 HydrophobicContact CG-CG 4.43Å; E177-K179 WeakPolarHBondContact OE1-CE 3.28Å; E177-K179 IonicContact OE1-NZ 2.68Å; E177-K179 PolarHBondContact OE1-NZ 3.21Å; E177-K179 WeakPolarHBondContact OE2-CE 3.32Å; E177-K179 IonicContact OE2-NZ 3.35Å; E177-K179 PolarHBondContact OE2-NZ 3.3Å
178M89.9Confident86.7Confident3 Ų364.6 Ų64.62%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-106.6129.1178.4-62.9174.9-72.400109.9F88 F89 I125 A159 R162 R163 L165F88-M178 CarbonylContact O-C 3.55Å; F88-M178 VanDerWaalsContact O-CA 3.32Å; F88-M178 WeakPolarHBondContact O-CA 3.16Å; F89-M178 HydrophobicContact CD1-CG 4.07Å; F89-M178 HydrophobicContact CD2-CG 4.13Å; F89-M178 HydrophobicContact CE1-CG 3.8Å; F89-M178 HydrophobicContact CE1-SD 3.78Å; F89-M178 HydrophobicContact CE2-CG 3.86Å; F89-M178 HydrophobicContact CE2-SD 4.17Å; F89-M178 HydrophobicContact CG-CG 4.22Å; F89-M178 HydrophobicContact CZ-CG 3.68Å; F89-M178 HydrophobicContact CZ-SD 3.51Å; F89-M178 VanDerWaalsContact CZ-SD 3.51Å; I125-M178 HydrophobicContact CD1-CE 3.97Å; I125-M178 HydrophobicContact CD1-SD 3.46Å; I125-M178 WeakPolarHBondContact CD1-SD 3.14Å; A159-M178 HydrophobicContact CB-SD 4.05Å; A159-M178 WeakPolarHBondContact O-CE 3.45Å; R162-M178 HydrophobicContact CB-CE 3.75Å; R163-M178 PolarHBondContact O-N 3.5Å; L165-M178 HydrophobicContact CB-CE 3.92Å; L165-M178 HydrophobicContact CB-SD 4.39Å
179K90.7Very high87.5Confident87 Ų8760.8 Ų60.838%0.37831%0.306SS..EExtended strand (participates in β ladder)trans-133.2152.4179-68.8-178.8-176.5159.80110.7A87 F88 E177 F181A87-K179 CarbonylContact C-O 3.58Å; A87-K179 VanDerWaalsContact CA-O 3.22Å; A87-K179 WeakPolarHBondContact CA-O 3.09Å; A87-K179 WeakPolarHBondContact CB-O 2.97Å; F88-K179 HydrophobicContact CB-CB 4.41Å; F88-K179 PolarHBondContact N-O 2.88Å; F88-K179 PolarHBondContact O-N 3.38Å; E177-K179 VanDerWaalsContact CD-NZ 3.29Å; E177-K179 HydrophobicContact CG-CG 4.43Å; E177-K179 WeakPolarHBondContact OE1-CE 3.28Å; E177-K179 IonicContact OE1-NZ 2.68Å; E177-K179 PolarHBondContact OE1-NZ 3.21Å; E177-K179 WeakPolarHBondContact OE2-CE 3.32Å; E177-K179 IonicContact OE2-NZ 3.35Å; E177-K179 PolarHBondContact OE2-NZ 3.3Å; K179-F181 PolarHBondContact O-N 3.05Å
180P91.9Very high88.3Confident10 Ų1062 Ų627%0.06531%0.314CS..EExtended strand (participates in β ladder)trans-60139.1169.428.2-36.1000109.5L160 F182 Y204 F213 L234L160-P180 HydrophobicContact CD1-CB 3.91Å; L160-P180 VanDerWaalsContact CD2-N 3.33Å; P180-F182 HydrophobicContact CG-CE2 4.04Å; P180-Y204 HydrophobicContact CB-CD1 3.86Å; P180-Y204 HydrophobicContact CB-CD2 3.99Å; P180-Y204 HydrophobicContact CB-CE1 4.19Å; P180-Y204 HydrophobicContact CB-CE2 4.32Å; P180-Y204 HydrophobicContact CB-CG 3.73Å; P180-Y204 HydrophobicContact CG-CD1 3.62Å; P180-Y204 HydrophobicContact CG-CD2 4.48Å; P180-Y204 HydrophobicContact CG-CE1 4.27Å; P180-Y204 HydrophobicContact CG-CG 3.72Å; P180-F213 HydrophobicContact CB-CE1 4.08Å; P180-F213 HydrophobicContact CB-CZ 4.04Å; P180-L234 VanDerWaalsContact CD-CD1 3.46Å; P180-L234 HydrophobicContact CG-CB 4.24Å; P180-L234 HydrophobicContact CG-CD1 3.83Å
181F92.5Very high89.2Confident49 Ų4956.7 Ų56.722%0.21529%0.29CS..  trans-93120.7171.3-176.4-109.6000109.7I86 K147 K179 L183I86-F181 HydrophobicContact CB-CB 4.06Å; I86-F181 HydrophobicContact CB-CD1 4.17Å; I86-F181 HydrophobicContact CG2-CB 3.65Å; I86-F181 HydrophobicContact CG2-CD1 3.82Å; I86-F181 HydrophobicContact CG2-CG 3.9Å; I86-F181 VanDerWaalsContact O-CB 3.24Å; I86-F181 WeakPolarHBondContact O-CB 3.46Å; I86-F181 PolarHBondContact O-N 3.44Å; K147-F181 HydrophobicContact CD-CE1 4.34Å; K147-F181 HydrophobicContact CD-CE2 4.12Å; K147-F181 HydrophobicContact CD-CZ 3.98Å; K147-F181 VanDerWaalsContact CE-CE2 3.45Å; K147-F181 VanDerWaalsContact CE-CZ 3.49Å; K147-F181 HydrophobicContact CG-CD2 4.48Å; K147-F181 HydrophobicContact CG-CE2 4.43Å; K179-F181 PolarHBondContact O-N 3.05Å; F181-L183 HydrophobicContact CD1-CD2 4.13Å; F181-L183 HydrophobicContact CE1-CD2 3.86Å; F181-L183 PolarHBondContact O-N 2.85Å
182F91.4Very high90Very high19 Ų1952 Ų528%0.08327%0.268CS..  trans-85.9109.7174.4-72.2-98000109.8P180 F213 K236P180-F182 HydrophobicContact CG-CE2 4.04Å; F182-F213 AromaticContact CD1-CD1 3.97Å; F182-F213 HydrophobicContact CD1-CD1 3.97Å; F182-F213 AromaticContact CD1-CE1 4Å; F182-F213 HydrophobicContact CD1-CE1 4Å; F182-F213 AromaticContact CE1-CD1 3.7Å; F182-F213 HydrophobicContact CE1-CD1 3.7Å; F182-F213 AromaticContact CE1-CE1 3.95Å; F182-F213 HydrophobicContact CE1-CE1 3.95Å; F182-F213 HydrophobicContact CE2-CE1 4.47Å; F182-F213 HydrophobicContact CG-CE1 4.28Å; F182-F213 HydrophobicContact CZ-CD1 4.23Å; F182-F213 HydrophobicContact CZ-CE1 4.21Å; F182-K236 HydrophobicContact CB-CB 4.41Å; F182-K236 HydrophobicContact CB-CD 4.21Å; F182-K236 HydrophobicContact CB-CG 4.01Å; F182-K236 HydrophobicContact CD1-CB 4.24Å; F182-K236 HydrophobicContact CD2-CB 4.2Å; F182-K236 HydrophobicContact CG-CB 4.03Å; F182-K236 HydrophobicContact CG-CG 4.18Å
183L90Very high90.9Very high40 Ų4054 Ų5421%0.20928%0.28CS..  trans-58.9149.2168-64.7170000110.4F83 F181 E185 Q186F83-L183 HydrophobicContact CB-CD1 3.83Å; F83-L183 HydrophobicContact CB-CD2 4.19Å; F181-L183 HydrophobicContact CD1-CD2 4.13Å; F181-L183 HydrophobicContact CE1-CD2 3.86Å; F181-L183 PolarHBondContact O-N 2.85Å; L183-E185 PolarHBondContact O-N 3.3Å; L183-Q186 HydrophobicContact CB-CB 4.01Å; L183-Q186 VanDerWaalsContact O-CB 3.31Å; L183-Q186 WeakPolarHBondContact O-CB 3.45Å; L183-Q186 PolarHBondContact O-N 3.42Å
184P88.7Confident91.4Very high102 Ų10255.3 Ų55.366%0.66229%0.288SS*.THydrogen-bonded Turntrans-51.3-40.9174.4-2936.1000113.1
185E91.3Very high91.9Very high160 Ų16053.7 Ų53.775%0.74829%0.289SS*.THydrogen-bonded Turntrans-107.632.9177.8-59.8-178.918000112L183 L187L183-E185 PolarHBondContact O-N 3.3Å; E185-L187 PolarHBondContact O-N 3.22Å
186Q92.5Very high92.1Very high3 Ų354.3 Ų54.31%0.01430%0.303CS..  trans-59.5114.6177.8-176.56058.800109.5L183 L200 A201 F213L183-Q186 HydrophobicContact CB-CB 4.01Å; L183-Q186 VanDerWaalsContact O-CB 3.31Å; L183-Q186 WeakPolarHBondContact O-CB 3.45Å; L183-Q186 PolarHBondContact O-N 3.42Å; Q186-L200 CarbonylContact O-C 3.53Å; Q186-L200 WeakPolarHBondContact O-CA 3.31Å; Q186-A201 HydrophobicContact CB-CB 4.5Å; Q186-A201 HydrophobicContact CG-CB 3.92Å; Q186-A201 PolarHBondContact O-N 2.65Å; Q186-F213 HydrophobicContact CG-CB 4.26Å; Q186-F213 HydrophobicContact CG-CD1 3.77Å; Q186-F213 HydrophobicContact CG-CD2 4.45Å; Q186-F213 HydrophobicContact CG-CE1 4.18Å; Q186-F213 HydrophobicContact CG-CG 3.92Å
187L94.3Very high92.2Very high50 Ų5060.3 Ų60.326%0.26234%0.335SS..BIsolated β-bridgetrans-80.3149.9176-57.1-177.4000110.6E185 V198 L200E185-L187 PolarHBondContact O-N 3.22Å; L187-V198 HydrophobicContact CB-CG1 3.97Å; L187-V198 HydrophobicContact CD1-CG1 4.12Å; L187-V198 HydrophobicContact CD2-CG1 4.07Å; L187-V198 HydrophobicContact CG-CG1 4.26Å; L187-L200 HydrophobicContact CD2-CD2 4.02Å
188C95.5Very high92.3Very high0 Ų060.6 Ų60.60%034%0.34CS..  trans-72.7127.8171.8167.30000111.1L190 C191 E192 N199 A201 C215C188-L190 PolarHBondContact O-N 3.11Å; C188-L190 PolarHBondContact SG-N 3Å; C188-L190 VanDerWaalsContact SG-N 3.42Å; C188-C191 WeakPolarHBondContact CB-SG 3.35Å; C188-E192 WeakPolarHBondContact O-CB 3.41Å; C188-E192 PolarHBondContact O-N 3.42Å; C188-E192 VanDerWaalsContact O-N 3.11Å; C188-N199 WeakPolarHBondContact CB-O 3.27Å; C188-N199 PolarHBondContact N-O 2.68Å; C188-A201 HydrophobicContact CB-CB 4.35Å; C188-C215 HydrophobicContact CB-CB 3.85Å; C188-C215 VanDerWaalsContact CB-N 3.32Å; C188-C215 PolarHBondContact SG-N 3.08Å
189N93.4Very high92.6Very high49 Ų4963.7 Ų63.726%0.26236%0.357SS..Hα-helixtrans-62.9-28-177.8-68.5115.7000113.3F213N189-F213 PolarHBondContact N-O 3.31Å; N189-F213 WeakPolarHBondContact OD1-CB 3.34Å; N189-F213 PolarHBondContact OD1-N 3.34Å
190L95Very high92.9Very high47 Ų4764.1 Ų64.125%0.24636%0.363CS..Hα-helixtrans-82.4-49.7-176.6-170.667.4000112.6C188 E192 V193 N194 C218 W222C188-L190 PolarHBondContact O-N 3.11Å; C188-L190 PolarHBondContact SG-N 3Å; C188-L190 VanDerWaalsContact SG-N 3.42Å; L190-E192 VanDerWaalsContact C-N 3.34Å; L190-V193 WeakPolarHBondContact O-CG2 3.49Å; L190-N194 WeakPolarHBondContact CD1-ND2 3.13Å; L190-N194 WeakPolarHBondContact O-CB 3.47Å; L190-N194 PolarHBondContact O-N 2.67Å; L190-N194 PolarHBondContact O-ND2 3.06Å; L190-C218 HydrophobicContact CB-CB 3.99Å; L190-C218 HydrophobicContact CD2-CB 3.79Å; L190-C218 HydrophobicContact CG-CB 4.4Å; L190-W222 HydrophobicContact CD2-CB 4.37Å
191C96.1Very high93Very high10 Ų1064 Ų647%0.06836%0.363CS..Hα-helixtrans-75.4-26.2-179.860.10000112.5C188 V193 N194 S195 N199C188-C191 WeakPolarHBondContact CB-SG 3.35Å; C191-V193 PolarHBondContact O-N 3.2Å; C191-N194 PolarHBondContact O-N 2.75Å; C191-S195 PolarHBondContact O-N 3.31Å; C191-N199 PolarHBondContact SG-N 2.95Å
192E94.1Very high93.2Very high64 Ų6464 Ų6430%0.29937%0.366SS..Hα-helixtrans-57.4-34.5175.3-178.6176.9-149.800112.8R84 C188 L190 V198R84-E192 IonicContact CZ-OE1 3.73Å; R84-E192 IonicContact CZ-OE2 2.75Å; R84-E192 VanDerWaalsContact NH1-CD 3.32Å; R84-E192 IonicContact NH1-OE1 2.73Å; R84-E192 PolarHBondContact NH1-OE1 3.03Å; R84-E192 IonicContact NH1-OE2 3.31Å; R84-E192 PolarHBondContact NH1-OE2 2.6Å; R84-E192 VanDerWaalsContact NH2-CD 3.32Å; R84-E192 IonicContact NH2-OE1 3.04Å; R84-E192 PolarHBondContact NH2-OE1 3.27Å; R84-E192 IonicContact NH2-OE2 3.93Å; R84-E192 PolarHBondContact NH2-OE2 2.66Å; C188-E192 WeakPolarHBondContact O-CB 3.41Å; C188-E192 PolarHBondContact O-N 3.42Å; C188-E192 VanDerWaalsContact O-N 3.11Å; L190-E192 VanDerWaalsContact C-N 3.34Å; E192-V198 HydrophobicContact CB-CG1 3.91Å; E192-V198 HydrophobicContact CG-CG1 4.49Å
193V92.4Very high93.3Very high111 Ų11164 Ų6467%0.67337%0.368SS*.Hα-helixtrans-94.2-16.6179.9-58.10000113.8L190 C191L190-V193 WeakPolarHBondContact O-CG2 3.49Å; C191-V193 PolarHBondContact O-N 3.2Å
194N92.3Very high93.5Very high119 Ų11962.1 Ų62.164%0.63636%0.358SS*.Hα-helixtrans-118.4-8.1-168.7-68.3-54.9000114.9L190 C191L190-N194 WeakPolarHBondContact CD1-ND2 3.13Å; L190-N194 WeakPolarHBondContact O-CB 3.47Å; L190-N194 PolarHBondContact O-N 2.67Å; L190-N194 PolarHBondContact O-ND2 3.06Å; C191-N194 PolarHBondContact O-N 2.75Å
195S90.8Very high93.7Very high62 Ų6257.3 Ų57.343%0.43433%0.326SS..  trans-143.3148.5-172.1-164.10000112.7C191 N197C191-S195 PolarHBondContact O-N 3.31Å; S195-N197 PolarHBondContact O-N 3.48Å; S195-N197 PolarHBondContact OG-N 3.27Å
196A89.9Confident93.5Very high102 Ų10251.9 Ų51.984%0.84331%0.306SS*.SBendtrans-68.2-25168.400000112.3
197N91.6Very high93.4Very high128 Ų12854.7 Ų54.768%0.68432%0.321SS*.SBendtrans-102.8101.5179.2-67.4-29000109.6S195S195-N197 PolarHBondContact O-N 3.48Å; S195-N197 PolarHBondContact OG-N 3.27Å
198V94.8Very high92.9Very high57 Ų5758.4 Ų58.435%0.34534%0.34SS..PPolyproline II helixtrans-96120.9-177.8-171.80000110.2L187 E192L187-V198 HydrophobicContact CB-CG1 3.97Å; L187-V198 HydrophobicContact CD1-CG1 4.12Å; L187-V198 HydrophobicContact CD2-CG1 4.07Å; L187-V198 HydrophobicContact CG-CG1 4.26Å; E192-V198 HydrophobicContact CB-CG1 3.91Å; E192-V198 HydrophobicContact CG-CG1 4.49Å
199N96.2Very high92.6Very high69 Ų6961.9 Ų61.937%0.36936%0.364SS..PPolyproline II helixtrans-91.2154.3177.7-71.6-30.2000111.8C188 C191 C215 D217C188-N199 WeakPolarHBondContact CB-O 3.27Å; C188-N199 PolarHBondContact N-O 2.68Å; C191-N199 PolarHBondContact SG-N 2.95Å; N199-C215 HydrophobicContact CB-CB 3.56Å; N199-D217 PolarHBondContact ND2-OD2 2.73Å
200L95.8Very high92.5Very high96 Ų9660.1 Ų60.150%0.50336%0.356SS..BIsolated β-bridgetrans-67.5140169.6-62.5-178.7000110.7Q186 L187 C215Q186-L200 CarbonylContact O-C 3.53Å; Q186-L200 WeakPolarHBondContact O-CA 3.31Å; L187-L200 HydrophobicContact CD2-CD2 4.02Å; L200-C215 WeakPolarHBondContact O-CB 3.45Å
201A95.1Very high92.1Very high7 Ų758.9 Ų58.96%0.05835%0.35CS..PPolyproline II helixtrans-80132.3172.400000111Q186 C188 F213 Y214Q186-A201 HydrophobicContact CB-CB 4.5Å; Q186-A201 HydrophobicContact CG-CB 3.92Å; Q186-A201 PolarHBondContact O-N 2.65Å; C188-A201 HydrophobicContact CB-CB 4.35Å; A201-F213 HydrophobicContact CB-CB 3.64Å; A201-F213 HydrophobicContact CB-CD1 4.45Å; A201-F213 HydrophobicContact CB-CG 4.48Å; A201-Y214 VanDerWaalsContact CA-O 3.3Å; A201-Y214 WeakPolarHBondContact CA-O 3.39Å
202T95Very high91.9Very high48 Ų4860 Ų6029%0.29436%0.358SS..  trans-119.5-10.8176.151.40000111.9Y214 N216 K236T202-Y214 PolarHBondContact N-O 3.34Å; T202-N216 PolarHBondContact OG1-ND2 3.24Å; T202-N216 PolarHBondContact OG1-OD1 2.75Å; T202-K236 PolarHBondContact O-N 3.18Å; T202-K236 VanDerWaalsContact O-N 3.16Å
203L95.3Very high91.9Very high21 Ų2157.1 Ų57.111%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-128.9148.8-174.9-55.7172.9000109.7F213 Y214 N216 W219 P233 L234L203-F213 CarbonylContact O-C 3.52Å; L203-F213 WeakPolarHBondContact O-CA 3.48Å; L203-Y214 PolarHBondContact N-O 3.06Å; L203-Y214 PolarHBondContact O-N 3.39Å; L203-N216 WeakPolarHBondContact CD1-OD1 3.37Å; L203-W219 HydrophobicContact CB-CD2 4.47Å; L203-W219 HydrophobicContact CB-CE3 4.03Å; L203-W219 HydrophobicContact CD1-CB 3.54Å; L203-W219 HydrophobicContact CD1-CD2 3.8Å; L203-W219 HydrophobicContact CD1-CE3 4.21Å; L203-W219 HydrophobicContact CD1-CG 3.43Å; L203-W219 VanDerWaalsContact CD1-CG 3.43Å; L203-P233 HydrophobicContact CB-CB 4.15Å; L203-P233 HydrophobicContact CD2-CB 3.97Å; L203-P233 HydrophobicContact CD2-CG 4.38Å; L203-P233 HydrophobicContact CG-CB 4.45Å; L203-L234 CarbonylContact C-O 3.46Å; L203-L234 WeakPolarHBondContact CA-O 3.49Å
204Y92.9Very high92.1Very high0 Ų052.4 Ų52.40%031%0.314CS..EExtended strand (participates in β ladder)trans-133126.4173.7179.8-91.1000109.3F156 L160 P180 V211 S212 F213 L234F156-Y204 HydrophobicContact CE1-CE2 4.39Å; L160-Y204 HydrophobicContact CB-CE1 4.5Å; L160-Y204 HydrophobicContact CD1-CE1 3.65Å; L160-Y204 HydrophobicContact CD1-CE2 4.23Å; L160-Y204 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y204 WeakPolarHBondContact CD1-OH 3.47Å; P180-Y204 HydrophobicContact CB-CD1 3.86Å; P180-Y204 HydrophobicContact CB-CD2 3.99Å; P180-Y204 HydrophobicContact CB-CE1 4.19Å; P180-Y204 HydrophobicContact CB-CE2 4.32Å; P180-Y204 HydrophobicContact CB-CG 3.73Å; P180-Y204 HydrophobicContact CG-CD1 3.62Å; P180-Y204 HydrophobicContact CG-CD2 4.48Å; P180-Y204 HydrophobicContact CG-CE1 4.27Å; P180-Y204 HydrophobicContact CG-CG 3.72Å; Y204-V211 WeakPolarHBondContact OH-CG1 3.47Å; Y204-S212 WeakPolarHBondContact CA-O 3.04Å; Y204-S212 WeakPolarHBondContact CD2-O 3.34Å; Y204-F213 AromaticContact CD2-CD1 3.62Å; Y204-F213 HydrophobicContact CD2-CD1 3.62Å; Y204-F213 AromaticContact CD2-CD2 3.83Å; Y204-F213 HydrophobicContact CD2-CD2 3.83Å; Y204-F213 AromaticContact CD2-CE1 3.59Å; Y204-F213 HydrophobicContact CD2-CE1 3.59Å; Y204-F213 AromaticContact CD2-CE2 3.81Å; Y204-F213 HydrophobicContact CD2-CE2 3.81Å; Y204-F213 AromaticContact CD2-CG 3.75Å; Y204-F213 HydrophobicContact CD2-CG 3.75Å; Y204-F213 AromaticContact CD2-CZ 3.69Å; Y204-F213 HydrophobicContact CD2-CZ 3.69Å; Y204-F213 HydrophobicContact CE2-CD2 4.03Å; Y204-F213 HydrophobicContact CE2-CE1 4.36Å; Y204-F213 AromaticContact CE2-CE2 3.82Å; Y204-F213 HydrophobicContact CE2-CE2 3.82Å; Y204-F213 HydrophobicContact CE2-CG 4.4Å; Y204-F213 HydrophobicContact CE2-CZ 4Å; Y204-F213 HydrophobicContact CG-CD1 4.34Å; Y204-F213 HydrophobicContact CG-CE1 4.25Å; Y204-L234 HydrophobicContact CD1-CD1 4.21Å; Y204-L234 PolarHBondContact N-O 3.13Å; Y204-L234 PolarHBondContact O-N 3.33Å
205C93.3Very high92.3Very high0 Ų046.9 Ų46.90%029%0.285CS..EExtended strand (participates in β ladder)trans-89.8119173.6-163.90000109.3C210 V211 S212 Y214 W219 H223 H231C205-C210 HydrophobicContact CB-CB 3.57Å; C205-C210 VanDerWaalsContact SG-CB 3.51Å; C205-V211 WeakPolarHBondContact O-CA 3.39Å; C205-V211 PolarHBondContact O-N 3.26Å; C205-S212 PolarHBondContact N-O 2.84Å; C205-S212 PolarHBondContact O-N 3.34Å; C205-Y214 HydrophobicContact CB-CD2 4.25Å; C205-Y214 HydrophobicContact CB-CE2 3.7Å; C205-W219 HydrophobicContact CB-CH2 4.18Å; C205-W219 HydrophobicContact CB-CZ3 3.63Å; C205-H223 PolarHBondContact SG-NE2 2.88Å; C205-H223 VanDerWaalsContact SG-NE2 3.37Å; C205-H231 PolarHBondContact SG-ND1 2.79Å; C205-H231 VanDerWaalsContact SG-ND1 3.39Å
206S87.1Confident92.6Very high47 Ų4748.2 Ų48.233%0.32929%0.288SS..  trans-88-2.5176.961.20000113.9
207N90.2Very high92.9Very high61 Ų6147.5 Ų47.533%0.32627%0.269SS..SBendtrans-69137.4177.3-166.4-57.7000110.3S209 C210 V211 H231N207-S209 PolarHBondContact O-N 3.28Å; N207-S209 VanDerWaalsContact O-N 3.08Å; N207-S209 PolarHBondContact OD1-N 3.19Å; N207-S209 PolarHBondContact OD1-OG 3.08Å; N207-S209 VanDerWaalsContact OD1-OG 3.13Å; N207-C210 PolarHBondContact O-N 3.03Å; N207-V211 WeakPolarHBondContact O-CG2 3.27Å; N207-V211 PolarHBondContact O-N 3.03Å; N207-H231 VanDerWaalsContact CG-CE1 3.41Å; N207-H231 PolarHBondContact ND2-CD2 3.26Å; N207-H231 PolarHBondContact ND2-NE2 2.85Å
208I83.8Confident93.2Very high129 Ų12941.9 Ų41.966%0.66224%0.24SC*.THydrogen-bonded Turntrans-54.1-28.5-175.1-165.9166.9000114.1V211I208-V211 VanDerWaalsContact CA-CG2 3.45Å; I208-V211 WeakPolarHBondContact O-CG2 3.38Å
209S88.8Confident93.3Very high73 Ų7340.7 Ų40.751%0.5123%0.23SC..THydrogen-bonded Turntrans-78-19178.256.70000113.8N207 H231N207-S209 PolarHBondContact O-N 3.28Å; N207-S209 VanDerWaalsContact O-N 3.08Å; N207-S209 PolarHBondContact OD1-N 3.19Å; N207-S209 PolarHBondContact OD1-OG 3.08Å; N207-S209 VanDerWaalsContact OD1-OG 3.13Å; S209-H231 PolarHBondContact OG-CE1 2.67Å
210C91.4Very high93.3Very high12 Ų1241 Ų418%0.08124%0.237CC..THydrogen-bonded Turntrans-113-56.6-176.1-66.50000112.3C205 N207 S212 Y214 W222 H231C205-C210 HydrophobicContact CB-CB 3.57Å; C205-C210 VanDerWaalsContact SG-CB 3.51Å; N207-C210 PolarHBondContact O-N 3.03Å; C210-S212 VanDerWaalsContact C-N 3.25Å; C210-S212 VanDerWaalsContact O-CB 3.26Å; C210-S212 WeakPolarHBondContact O-CB 3.37Å; C210-S212 PolarHBondContact O-N 2.99Å; C210-S212 PolarHBondContact O-OG 3.34Å; C210-Y214 HydrophobicContact CB-CE2 4.4Å; C210-Y214 WeakPolarHBondContact CB-OH 3.42Å; C210-W222 PolarHBondContact SG-NE1 2.7Å; C210-H231 VanDerWaalsContact SG-CE1 3.51Å; C210-H231 PolarHBondContact SG-ND1 3.09Å; C210-H231 VanDerWaalsContact SG-ND1 3.4Å
211V87.5Confident93.3Very high21 Ų2145.7 Ų45.713%0.12725%0.248CC..  trans32.952.4179.7-149.60000115.2R157 Y204 C205 N207 I208R157-V211 HydrophobicContact CB-CG1 3.81Å; R157-V211 VanDerWaalsContact CD-CB 3.5Å; R157-V211 VanDerWaalsContact CD-CG1 3.48Å; R157-V211 HydrophobicContact CG-CB 3.92Å; R157-V211 HydrophobicContact CG-CG1 3.27Å; R157-V211 HydrophobicContact CG-CG2 4.44Å; Y204-V211 WeakPolarHBondContact OH-CG1 3.47Å; C205-V211 WeakPolarHBondContact O-CA 3.39Å; C205-V211 PolarHBondContact O-N 3.26Å; N207-V211 WeakPolarHBondContact O-CG2 3.27Å; N207-V211 PolarHBondContact O-N 3.03Å; I208-V211 VanDerWaalsContact CA-CG2 3.45Å; I208-V211 WeakPolarHBondContact O-CG2 3.38Å
212S91.6Very high93.3Very high32 Ų3250.8 Ų50.822%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-145.3157.8-168.2-69.50000112.4Y204 C205 C210 Y214Y204-S212 WeakPolarHBondContact CA-O 3.04Å; Y204-S212 WeakPolarHBondContact CD2-O 3.34Å; C205-S212 PolarHBondContact N-O 2.84Å; C205-S212 PolarHBondContact O-N 3.34Å; C210-S212 VanDerWaalsContact C-N 3.25Å; C210-S212 VanDerWaalsContact O-CB 3.26Å; C210-S212 WeakPolarHBondContact O-CB 3.37Å; C210-S212 PolarHBondContact O-N 2.99Å; C210-S212 PolarHBondContact O-OG 3.34Å; S212-Y214 WeakPolarHBondContact O-CD2 3.34Å; S212-Y214 WeakPolarHBondContact O-CE2 3.21Å
213F93.9Very high93.4Very high5 Ų549.1 Ų49.12%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-87.9130.9172.5-67.9-85.8000111F156 P180 F182 Q186 N189 A201 L203 Y204F156-F213 HydrophobicContact CE1-CE2 4.27Å; F156-F213 HydrophobicContact CZ-CE2 4.26Å; F156-F213 HydrophobicContact CZ-CZ 4.32Å; P180-F213 HydrophobicContact CB-CE1 4.08Å; P180-F213 HydrophobicContact CB-CZ 4.04Å; F182-F213 AromaticContact CD1-CD1 3.97Å; F182-F213 HydrophobicContact CD1-CD1 3.97Å; F182-F213 AromaticContact CD1-CE1 4Å; F182-F213 HydrophobicContact CD1-CE1 4Å; F182-F213 AromaticContact CE1-CD1 3.7Å; F182-F213 HydrophobicContact CE1-CD1 3.7Å; F182-F213 AromaticContact CE1-CE1 3.95Å; F182-F213 HydrophobicContact CE1-CE1 3.95Å; F182-F213 HydrophobicContact CE2-CE1 4.47Å; F182-F213 HydrophobicContact CG-CE1 4.28Å; F182-F213 HydrophobicContact CZ-CD1 4.23Å; F182-F213 HydrophobicContact CZ-CE1 4.21Å; Q186-F213 HydrophobicContact CG-CB 4.26Å; Q186-F213 HydrophobicContact CG-CD1 3.77Å; Q186-F213 HydrophobicContact CG-CD2 4.45Å; Q186-F213 HydrophobicContact CG-CE1 4.18Å; Q186-F213 HydrophobicContact CG-CG 3.92Å; N189-F213 PolarHBondContact N-O 3.31Å; N189-F213 WeakPolarHBondContact OD1-CB 3.34Å; N189-F213 PolarHBondContact OD1-N 3.34Å; A201-F213 HydrophobicContact CB-CB 3.64Å; A201-F213 HydrophobicContact CB-CD1 4.45Å; A201-F213 HydrophobicContact CB-CG 4.48Å; L203-F213 CarbonylContact O-C 3.52Å; L203-F213 WeakPolarHBondContact O-CA 3.48Å; Y204-F213 AromaticContact CD2-CD1 3.62Å; Y204-F213 HydrophobicContact CD2-CD1 3.62Å; Y204-F213 AromaticContact CD2-CD2 3.83Å; Y204-F213 HydrophobicContact CD2-CD2 3.83Å; Y204-F213 AromaticContact CD2-CE1 3.59Å; Y204-F213 HydrophobicContact CD2-CE1 3.59Å; Y204-F213 AromaticContact CD2-CE2 3.81Å; Y204-F213 HydrophobicContact CD2-CE2 3.81Å; Y204-F213 AromaticContact CD2-CG 3.75Å; Y204-F213 HydrophobicContact CD2-CG 3.75Å; Y204-F213 AromaticContact CD2-CZ 3.69Å; Y204-F213 HydrophobicContact CD2-CZ 3.69Å; Y204-F213 HydrophobicContact CE2-CD2 4.03Å; Y204-F213 HydrophobicContact CE2-CE1 4.36Å; Y204-F213 AromaticContact CE2-CE2 3.82Å; Y204-F213 HydrophobicContact CE2-CE2 3.82Å; Y204-F213 HydrophobicContact CE2-CG 4.4Å; Y204-F213 HydrophobicContact CE2-CZ 4Å; Y204-F213 HydrophobicContact CG-CD1 4.34Å; Y204-F213 HydrophobicContact CG-CE1 4.25Å
214Y96.2Very high93.4Very high11 Ų1152.2 Ų52.24%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-124.6140.8-177.1-61.1-92.4000111.2A201 T202 L203 C205 C210 S212 C218 W219 W222 H223A201-Y214 VanDerWaalsContact CA-O 3.3Å; A201-Y214 WeakPolarHBondContact CA-O 3.39Å; T202-Y214 PolarHBondContact N-O 3.34Å; L203-Y214 PolarHBondContact N-O 3.06Å; L203-Y214 PolarHBondContact O-N 3.39Å; C205-Y214 HydrophobicContact CB-CD2 4.25Å; C205-Y214 HydrophobicContact CB-CE2 3.7Å; C210-Y214 HydrophobicContact CB-CE2 4.4Å; C210-Y214 WeakPolarHBondContact CB-OH 3.42Å; S212-Y214 WeakPolarHBondContact O-CD2 3.34Å; S212-Y214 WeakPolarHBondContact O-CE2 3.21Å; Y214-C218 HydrophobicContact CD1-CB 4.22Å; Y214-W219 AromaticContact CD2-CE3 3.91Å; Y214-W219 HydrophobicContact CD2-CE3 3.91Å; Y214-W219 HydrophobicContact CD2-CZ3 4.28Å; Y214-W219 HydrophobicContact CG-CE3 4.14Å; Y214-W222 HydrophobicContact CE1-CB 4.22Å; Y214-W222 HydrophobicContact CE1-CG 4.11Å; Y214-H223 AromaticContact CE2-CE1 3.82Å; Y214-H223 AromaticContact CZ-CE1 3.84Å
215C96.9Very high93.5Very high4 Ų455.2 Ų55.23%0.02729%0.294CS..  trans-76.5164.115771.20000108.8C188 N199 L200 D217 C218 W219C188-C215 HydrophobicContact CB-CB 3.85Å; C188-C215 VanDerWaalsContact CB-N 3.32Å; C188-C215 PolarHBondContact SG-N 3.08Å; N199-C215 HydrophobicContact CB-CB 3.56Å; L200-C215 WeakPolarHBondContact O-CB 3.45Å; C215-D217 VanDerWaalsContact C-N 3.27Å; C215-D217 PolarHBondContact O-N 3.04Å; C215-C218 PolarHBondContact O-N 3.4Å; C215-C218 VanDerWaalsContact SG-CB 3.56Å; C215-C218 PolarHBondContact SG-N 2.97Å; C215-C218 VanDerWaalsContact SG-N 3.38Å; C215-W219 WeakPolarHBondContact O-CB 3.33Å; C215-W219 PolarHBondContact O-N 3.39Å
216N96.7Very high93.6Very high90 Ų9060.8 Ų60.848%0.48133%0.331SS..Hα-helixtrans-57.3-38.5-178.6-66.6-50.9000113.1T202 L203 S220T202-N216 PolarHBondContact OG1-ND2 3.24Å; T202-N216 PolarHBondContact OG1-OD1 2.75Å; L203-N216 WeakPolarHBondContact CD1-OD1 3.37Å; N216-S220 WeakPolarHBondContact O-CB 3.04Å; N216-S220 PolarHBondContact O-N 3.24Å; N216-S220 PolarHBondContact O-OG 3.13Å
217D96.5Very high94Very high86 Ų8666 Ų6646%0.4635%0.35SS..Hα-helixtrans-67.3-48.7-179.9-60.7-31.4000111.9N199 C215 W219 S220 R221N199-D217 PolarHBondContact ND2-OD2 2.73Å; C215-D217 VanDerWaalsContact C-N 3.27Å; C215-D217 PolarHBondContact O-N 3.04Å; D217-W219 VanDerWaalsContact C-N 3.33Å; D217-S220 PolarHBondContact O-N 2.92Å; D217-R221 WeakPolarHBondContact O-CG 3.37Å; D217-R221 PolarHBondContact O-N 3.08Å
218C97.2Very high94.3Very high11 Ų1163.6 Ų63.67%0.07434%0.337CS..Hα-helixtrans-66.3-37.3178.1-740000111.6L190 Y214 C215 W222L190-C218 HydrophobicContact CB-CB 3.99Å; L190-C218 HydrophobicContact CD2-CB 3.79Å; L190-C218 HydrophobicContact CG-CB 4.4Å; Y214-C218 HydrophobicContact CD1-CB 4.22Å; C215-C218 PolarHBondContact O-N 3.4Å; C215-C218 VanDerWaalsContact SG-CB 3.56Å; C215-C218 PolarHBondContact SG-N 2.97Å; C215-C218 VanDerWaalsContact SG-N 3.38Å; C218-W222 WeakPolarHBondContact O-CB 3.45Å; C218-W222 PolarHBondContact O-N 3.31Å
219W97.3Very high94.8Very high32 Ų3260 Ų6012%0.12133%0.327CS..Hα-helixtrans-58.4-53.9173.3175.9-86.6000110.5L203 C205 Y214 C215 D217 R221 W222 H223 H231 P233L203-W219 HydrophobicContact CB-CD2 4.47Å; L203-W219 HydrophobicContact CB-CE3 4.03Å; L203-W219 HydrophobicContact CD1-CB 3.54Å; L203-W219 HydrophobicContact CD1-CD2 3.8Å; L203-W219 HydrophobicContact CD1-CE3 4.21Å; L203-W219 HydrophobicContact CD1-CG 3.43Å; L203-W219 VanDerWaalsContact CD1-CG 3.43Å; C205-W219 HydrophobicContact CB-CH2 4.18Å; C205-W219 HydrophobicContact CB-CZ3 3.63Å; Y214-W219 AromaticContact CD2-CE3 3.91Å; Y214-W219 HydrophobicContact CD2-CE3 3.91Å; Y214-W219 HydrophobicContact CD2-CZ3 4.28Å; Y214-W219 HydrophobicContact CG-CE3 4.14Å; C215-W219 WeakPolarHBondContact O-CB 3.33Å; C215-W219 PolarHBondContact O-N 3.39Å; D217-W219 VanDerWaalsContact C-N 3.33Å; W219-R221 VanDerWaalsContact C-N 3.3Å; W219-R221 PolarHBondContact O-N 3.07Å; W219-W222 PolarHBondContact O-N 2.94Å; W219-H223 AromaticContact CD2-CE1 3.76Å; W219-H223 AromaticContact CD2-CG 3.99Å; W219-H223 AromaticContact CD2-ND1 3.38Å; W219-H223 AromaticContact CE2-CG 3.77Å; W219-H223 AromaticContact CE2-ND1 3.67Å; W219-H223 AromaticContact CE3-CE1 3.29Å; W219-H223 AromaticContact CE3-ND1 3.44Å; W219-H223 AromaticContact CG-ND1 3.9Å; W219-H223 AromaticContact CH2-CD2 3.78Å; W219-H223 AromaticContact CH2-CE1 3.66Å; W219-H223 AromaticContact CH2-ND1 3.96Å; W219-H223 AromaticContact CH2-NE2 3.56Å; W219-H223 HydrophobicContact CZ2-CB 4.23Å; W219-H223 AromaticContact CZ2-CD2 3.86Å; W219-H223 AromaticContact CZ2-CG 3.75Å; W219-H223 AromaticContact CZ2-ND1 3.92Å; W219-H223 AromaticContact CZ3-CE1 3.27Å; W219-H223 WeakPolarHBondContact CZ3-CE1 3.35Å; W219-H223 AromaticContact CZ3-ND1 3.77Å; W219-H223 AromaticContact CZ3-NE2 3.57Å; W219-H223 WeakPolarHBondContact O-CB 3.26Å; W219-H223 PolarHBondContact O-N 3.49Å; W219-H223 PolarHBondContact O-ND1 2.93Å; W219-H231 HydrophobicContact CH2-CB 4.39Å; W219-H231 WeakPolarHBondContact CZ2-O 3.43Å; W219-P233 HydrophobicContact CD2-CB 4.25Å; W219-P233 HydrophobicContact CE3-CB 4.02Å; W219-P233 HydrophobicContact CH2-CB 3.43Å; W219-P233 VanDerWaalsContact CH2-CB 3.43Å; W219-P233 HydrophobicContact CH2-CG 3.92Å; W219-P233 HydrophobicContact CZ2-CB 3.66Å; W219-P233 VanDerWaalsContact CZ2-CD 3.41Å; W219-P233 HydrophobicContact CZ2-CG 3.64Å; W219-P233 HydrophobicContact CZ3-CB 3.58Å; W219-P233 HydrophobicContact CZ3-CG 4.46Å
220S96.7Very high95.1Very high76 Ų7662.6 Ų62.653%0.53134%0.335SS..Hα-helixtrans-61.6-37.9-176.1-55.70000112.3N216 D217 S224N216-S220 WeakPolarHBondContact O-CB 3.04Å; N216-S220 PolarHBondContact O-N 3.24Å; N216-S220 PolarHBondContact O-OG 3.13Å; D217-S220 PolarHBondContact O-N 2.92Å; S220-S224 WeakPolarHBondContact O-CB 3.28Å; S220-S224 PolarHBondContact O-N 3.32Å
221R95.9Very high95.3Very high194 Ų19462.9 Ų62.973%0.73234%0.335SS*.Hα-helixtrans-74.4-39.7177.8-69.7177-172.8172.84.6113.3D217 W219 S224D217-R221 WeakPolarHBondContact O-CG 3.37Å; D217-R221 PolarHBondContact O-N 3.08Å; W219-R221 VanDerWaalsContact C-N 3.3Å; W219-R221 PolarHBondContact O-N 3.07Å; R221-S224 PolarHBondContact O-OG 2.82Å
222W95.4Very high95.5Very high113 Ų11368.3 Ų68.343%0.42836%0.362SS..Hα-helixtrans-76.7-44.8-178.2-174.2-101.1000111.3L190 C210 Y214 C218 W219 S224 N225 V228L190-W222 HydrophobicContact CD2-CB 4.37Å; C210-W222 PolarHBondContact SG-NE1 2.7Å; Y214-W222 HydrophobicContact CE1-CB 4.22Å; Y214-W222 HydrophobicContact CE1-CG 4.11Å; C218-W222 WeakPolarHBondContact O-CB 3.45Å; C218-W222 PolarHBondContact O-N 3.31Å; W219-W222 PolarHBondContact O-N 2.94Å; W222-S224 VanDerWaalsContact C-N 3.25Å; W222-S224 PolarHBondContact O-N 2.83Å; W222-N225 WeakPolarHBondContact O-CB 3.41Å; W222-N225 PolarHBondContact O-N 3.4Å; W222-V228 WeakPolarHBondContact O-CG2 3.26Å
223H96.9Very high95.6Very high14 Ų1469 Ų697%0.06537%0.366CS..THydrogen-bonded Turntrans-86.413-178.8-59.486.9000113.3C205 Y214 W219 N225 V228 A229 H231C205-H223 PolarHBondContact SG-NE2 2.88Å; C205-H223 VanDerWaalsContact SG-NE2 3.37Å; Y214-H223 AromaticContact CE2-CE1 3.82Å; Y214-H223 AromaticContact CZ-CE1 3.84Å; W219-H223 AromaticContact CD2-CE1 3.76Å; W219-H223 AromaticContact CD2-CG 3.99Å; W219-H223 AromaticContact CD2-ND1 3.38Å; W219-H223 AromaticContact CE2-CG 3.77Å; W219-H223 AromaticContact CE2-ND1 3.67Å; W219-H223 AromaticContact CE3-CE1 3.29Å; W219-H223 AromaticContact CE3-ND1 3.44Å; W219-H223 AromaticContact CG-ND1 3.9Å; W219-H223 AromaticContact CH2-CD2 3.78Å; W219-H223 AromaticContact CH2-CE1 3.66Å; W219-H223 AromaticContact CH2-ND1 3.96Å; W219-H223 AromaticContact CH2-NE2 3.56Å; W219-H223 HydrophobicContact CZ2-CB 4.23Å; W219-H223 AromaticContact CZ2-CD2 3.86Å; W219-H223 AromaticContact CZ2-CG 3.75Å; W219-H223 AromaticContact CZ2-ND1 3.92Å; W219-H223 AromaticContact CZ3-CE1 3.27Å; W219-H223 WeakPolarHBondContact CZ3-CE1 3.35Å; W219-H223 AromaticContact CZ3-ND1 3.77Å; W219-H223 AromaticContact CZ3-NE2 3.57Å; W219-H223 WeakPolarHBondContact O-CB 3.26Å; W219-H223 PolarHBondContact O-N 3.49Å; W219-H223 PolarHBondContact O-ND1 2.93Å; H223-N225 VanDerWaalsContact C-N 3.35Å; H223-V228 PolarHBondContact CD2-O 2.75Å; H223-A229 WeakPolarHBondContact O-CA 3.12Å; H223-H231 AromaticContact CD2-ND1 3.78Å; H223-H231 AromaticContact NE2-ND1 3.73Å
224S95.9Very high95.5Very high86 Ų8671.5 Ų71.560%0.60138%0.379SS*.THydrogen-bonded Turntrans-83-14.8161.564.20000112.6S220 R221 W222S220-S224 WeakPolarHBondContact O-CB 3.28Å; S220-S224 PolarHBondContact O-N 3.32Å; R221-S224 PolarHBondContact O-OG 2.82Å; W222-S224 VanDerWaalsContact C-N 3.25Å; W222-S224 PolarHBondContact O-N 2.83Å
225N95Very high95Very high63 Ų6375 Ų7534%0.33741%0.406SS..SBendtrans-68127.2175177.3-5.3000109.5W222 H223 E227 V228 A229W222-N225 WeakPolarHBondContact O-CB 3.41Å; W222-N225 PolarHBondContact O-N 3.4Å; H223-N225 VanDerWaalsContact C-N 3.35Å; N225-E227 PolarHBondContact O-N 2.76Å; N225-E227 PolarHBondContact OD1-N 3.5Å; N225-E227 VanDerWaalsContact OD1-N 3.13Å; N225-V228 HydrophobicContact CB-CG2 4Å; N225-V228 PolarHBondContact O-N 3.46Å; N225-A229 WeakPolarHBondContact O-CB 3.42Å; N225-A229 PolarHBondContact O-N 2.76Å
226P95.2Very high94Very high117 Ų11783 Ų8376%0.7644%0.44SS*.THydrogen-bonded Turntrans-49.2-31.1178.5-3035.2000115.7V228P226-V228 PolarHBondContact O-N 3.32Å
227E95Very high93.9Very high156 Ų15682.7 Ų82.773%0.72944%0.438SS*.THydrogen-bonded Turntrans-68.1-21.8-178.8-65.4179.4164.200114.1N225N225-E227 PolarHBondContact O-N 2.76Å; N225-E227 PolarHBondContact OD1-N 3.5Å; N225-E227 VanDerWaalsContact OD1-N 3.13Å
228V95.9Very high93.8Very high10 Ų1082.5 Ų82.56%0.06144%0.437CS..THydrogen-bonded Turntrans-131.95.4-174.5-62.70000112.5W222 H223 N225 P226 D230 H231W222-V228 WeakPolarHBondContact O-CG2 3.26Å; H223-V228 PolarHBondContact CD2-O 2.75Å; N225-V228 HydrophobicContact CB-CG2 4Å; N225-V228 PolarHBondContact O-N 3.46Å; P226-V228 PolarHBondContact O-N 3.32Å; V228-D230 PolarHBondContact O-N 3.31Å; V228-H231 WeakPolarHBondContact CB-CE1 3.36Å; V228-H231 WeakPolarHBondContact CG1-CE1 3.3Å; V228-H231 WeakPolarHBondContact O-CB 3.41Å; V228-H231 VanDerWaalsContact O-CG 3.25Å; V228-H231 PolarHBondContact O-N 3.24Å
229A95.4Very high93.6Very high55 Ų5586.5 Ų86.546%0.45546%0.457SS..THydrogen-bonded Turntrans-68.5-21.3-172.800000114H223 N225 H231H223-A229 WeakPolarHBondContact O-CA 3.12Å; N225-A229 WeakPolarHBondContact O-CB 3.42Å; N225-A229 PolarHBondContact O-N 2.76Å; A229-H231 VanDerWaalsContact C-N 3.35Å
230D95.3Very high93.4Very high126 Ų12689.7 Ų89.767%0.67448%0.476SS*.THydrogen-bonded Turntrans-87.2-3.4178.170.3-28.5000113.3V228 I232V228-D230 PolarHBondContact O-N 3.31Å; D230-I232 PolarHBondContact O-N 2.94Å
231H95.2Very high93.2Very high19 Ų1990.6 Ų90.69%0.08847%0.473CS..PPolyproline II helixtrans-66.7135.7178.1-63.6177.5000111.7C205 N207 S209 C210 W219 H223 V228 A229C205-H231 PolarHBondContact SG-ND1 2.79Å; C205-H231 VanDerWaalsContact SG-ND1 3.39Å; N207-H231 VanDerWaalsContact CG-CE1 3.41Å; N207-H231 PolarHBondContact ND2-CD2 3.26Å; N207-H231 PolarHBondContact ND2-NE2 2.85Å; S209-H231 PolarHBondContact OG-CE1 2.67Å; C210-H231 VanDerWaalsContact SG-CE1 3.51Å; C210-H231 PolarHBondContact SG-ND1 3.09Å; C210-H231 VanDerWaalsContact SG-ND1 3.4Å; W219-H231 HydrophobicContact CH2-CB 4.39Å; W219-H231 WeakPolarHBondContact CZ2-O 3.43Å; H223-H231 AromaticContact CD2-ND1 3.78Å; H223-H231 AromaticContact NE2-ND1 3.73Å; V228-H231 WeakPolarHBondContact CB-CE1 3.36Å; V228-H231 WeakPolarHBondContact CG1-CE1 3.3Å; V228-H231 WeakPolarHBondContact O-CB 3.41Å; V228-H231 VanDerWaalsContact O-CG 3.25Å; V228-H231 PolarHBondContact O-N 3.24Å; A229-H231 VanDerWaalsContact C-N 3.35Å
232I92.5Very high93Very high135 Ų13583.7 Ų83.769%0.69246%0.456SS*.PPolyproline II helixtrans-98.3123.8179.5-58.4174.6000109.1D230D230-I232 PolarHBondContact O-N 2.94Å
233P93.3Very high92.8Very high47 Ų4781.6 Ų81.631%0.30546%0.458SS..EExtended strand (participates in β ladder)trans-73.9144.117726.4-27.1000111.1L203 W219L203-P233 HydrophobicContact CB-CB 4.15Å; L203-P233 HydrophobicContact CD2-CB 3.97Å; L203-P233 HydrophobicContact CD2-CG 4.38Å; L203-P233 HydrophobicContact CG-CB 4.45Å; W219-P233 HydrophobicContact CD2-CB 4.25Å; W219-P233 HydrophobicContact CE3-CB 4.02Å; W219-P233 HydrophobicContact CH2-CB 3.43Å; W219-P233 VanDerWaalsContact CH2-CB 3.43Å; W219-P233 HydrophobicContact CH2-CG 3.92Å; W219-P233 HydrophobicContact CZ2-CB 3.66Å; W219-P233 VanDerWaalsContact CZ2-CD 3.41Å; W219-P233 HydrophobicContact CZ2-CG 3.64Å; W219-P233 HydrophobicContact CZ3-CB 3.58Å; W219-P233 HydrophobicContact CZ3-CG 4.46Å
234L90.1Very high92.5Very high56 Ų5686.8 Ų86.829%0.29349%0.488SS..EExtended strand (participates in β ladder)trans-86.3124.4157-58.3179.5000107.9P180 L203 Y204P180-L234 VanDerWaalsContact CD-CD1 3.46Å; P180-L234 HydrophobicContact CG-CB 4.24Å; P180-L234 HydrophobicContact CG-CD1 3.83Å; L203-L234 CarbonylContact C-O 3.46Å; L203-L234 WeakPolarHBondContact CA-O 3.49Å; Y204-L234 HydrophobicContact CD1-CD1 4.21Å; Y204-L234 PolarHBondContact N-O 3.13Å; Y204-L234 PolarHBondContact O-N 3.33Å
235S87.6Confident92.2Very high86 Ų8686.8 Ų86.860%0.60148%0.479SS*.EExtended strand (participates in β ladder)trans-87.5160.4174.466.80000111.1
236K75.9Confident91.9Very high172 Ų17289 Ų8975%0.74849%0.491SS*.  trans-55.50162.5-173.7172.5-178.3175.60112F182 T202F182-K236 HydrophobicContact CB-CB 4.41Å; F182-K236 HydrophobicContact CB-CD 4.21Å; F182-K236 HydrophobicContact CB-CG 4.01Å; F182-K236 HydrophobicContact CD1-CB 4.24Å; F182-K236 HydrophobicContact CD2-CB 4.2Å; F182-K236 HydrophobicContact CG-CB 4.03Å; F182-K236 HydrophobicContact CG-CG 4.18Å; T202-K236 PolarHBondContact O-N 3.18Å; T202-K236 VanDerWaalsContact O-N 3.16Å

Retrieved 236 of 236 residues in 235.9 ms (Link to these results)

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