A0A087X0U9_HUMAN Loading...

KIAA0319

AlphaFold DB , UniProt , Accession A0A087X0U9, Species HUMAN (Homo sapiens, Human), Gene KIAA0319, Length 483 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
1M60.5Low81.3Confident163 Ų163111.9 Ų111.980%0.80356%0.556SS**  0146.70-70.5-180-175.500106.5Y6 F8 V28M1-Y6 HydrophobicContact CB-CE2 3.9Å; M1-Y6 HydrophobicContact SD-CD2 4.19Å; M1-Y6 HydrophobicContact SD-CE2 4.37Å; M1-F8 HydrophobicContact CE-CZ 4.43Å; M1-V28 HydrophobicContact CB-CG2 3.96Å; M1-V28 HydrophobicContact SD-CG2 4.2Å
2Q70.5Confident81.5Confident164 Ų164109.9 Ų109.977%0.76655%0.554SS**  trans-70.8161.8172.3-74.2173.8-31.800108.9G4 Y6Q2-G4 PolarHBondContact O-N 2.84Å; Q2-Y6 PolarHBondContact N-OH 3.42Å; Q2-Y6 VanDerWaalsContact O-CE2 3.23Å; Q2-Y6 WeakPolarHBondContact O-CE2 3.37Å; Q2-Y6 PolarHBondContact O-OH 3.2Å
3E75.3Confident82Confident141 Ų141106.8 Ų106.866%0.65955%0.545SS*.SBendtrans-59.4135.7175.8-64.8175-176.200110.2
4G77.4Confident82.2Confident30 Ų30104.4 Ų104.431%0.30953%0.533SS..EExtended strand (participates in β ladder)trans147.3170.9179.100000114.7Q2 Y6 V28Q2-G4 PolarHBondContact O-N 2.84Å; G4-Y6 WeakPolarHBondContact O-CD2 3.45Å; G4-V28 PolarHBondContact N-O 2.82Å; G4-V28 PolarHBondContact O-N 3.39Å
5D84.4Confident82.4Confident115 Ų115106.2 Ų106.262%0.61556%0.559SS**EExtended strand (participates in β ladder)trans-95.2106.3-178.2-65.1-11.9000109.8I27D5-I27 WeakPolarHBondContact OD1-CG2 3.37Å
6Y87.5Confident82.4Confident74 Ų74104.9 Ų104.929%0.2956%0.561SS.*EExtended strand (participates in β ladder)trans-93.9115.6178-62.9-86.9000109.8M1 Q2 G4 T25 V26 V28M1-Y6 HydrophobicContact CB-CE2 3.9Å; M1-Y6 HydrophobicContact SD-CD2 4.19Å; M1-Y6 HydrophobicContact SD-CE2 4.37Å; Q2-Y6 PolarHBondContact N-OH 3.42Å; Q2-Y6 VanDerWaalsContact O-CE2 3.23Å; Q2-Y6 WeakPolarHBondContact O-CE2 3.37Å; Q2-Y6 PolarHBondContact O-OH 3.2Å; G4-Y6 WeakPolarHBondContact O-CD2 3.45Å; Y6-T25 WeakPolarHBondContact O-CA 3.25Å; Y6-V26 PolarHBondContact N-O 2.93Å; Y6-V26 PolarHBondContact O-N 3.23Å; Y6-V28 HydrophobicContact CD2-CG2 3.91Å; Y6-V28 HydrophobicContact CE2-CB 4.44Å; Y6-V28 HydrophobicContact CE2-CG2 3.89Å
7T85.9Confident82.2Confident91 Ų91111.9 Ų111.956%0.55858%0.578SS**EExtended strand (participates in β ladder)trans-100.8115.7176.4-54.60000109.5V23 T25T7-V23 HydrophobicContact CG2-CG1 3.2Å; T7-T25 HydrophobicContact CG2-CG2 4.03Å
8F87.5Confident82.3Confident99 Ų99113.2 Ų113.243%0.43458%0.581SS.*EExtended strand (participates in β ladder)trans-103.8127.6176.4-57.8-88000109.6M1 V23 V24 V26M1-F8 HydrophobicContact CE-CZ 4.43Å; F8-V23 WeakPolarHBondContact O-CA 3.31Å; F8-V24 HydrophobicContact CB-CG1 3.95Å; F8-V24 HydrophobicContact CD2-CG1 4.34Å; F8-V24 PolarHBondContact N-O 3.49Å; F8-V24 PolarHBondContact O-N 2.83Å; F8-V26 HydrophobicContact CD2-CG2 4.06Å; F8-V26 HydrophobicContact CE2-CB 4.2Å; F8-V26 HydrophobicContact CE2-CG2 3.9Å
9Q89.8Confident82.6Confident129 Ų129113.2 Ų113.260%0.60358%0.578SS**EExtended strand (participates in β ladder)trans-102.5112.2174.7-174175.90.900109.3T21 A22 V23Q9-T21 HydrophobicContact CG-CG2 4.48Å; Q9-A22 CarbonylContact C-O 3.58Å; Q9-V23 HydrophobicContact CG-CG2 4.26Å
10L86.2Confident83Confident113 Ų113111.8 Ų111.859%0.59258%0.579SS**EExtended strand (participates in β ladder)trans-85.1123169.1179.664.3000108.6V12 T21 A22L10-V12 HydrophobicContact CD1-CG2 4.45Å; L10-V12 HydrophobicContact CD2-CG2 3.98Å; L10-V12 HydrophobicContact CG-CG2 3.9Å; L10-T21 CarbonylContact O-C 3.57Å; L10-T21 VanDerWaalsContact O-CA 3.24Å; L10-T21 WeakPolarHBondContact O-CA 3.46Å; L10-A22 PolarHBondContact N-O 3.35Å; L10-A22 PolarHBondContact O-N 3.28Å
11K88.9Confident83.3Confident112 Ų112109.9 Ų109.949%0.48757%0.573SS.*EExtended strand (participates in β ladder)trans-114.8111174.6-176.3170.3178.8177.50109.3T21K11-T21 HydrophobicContact CB-CG2 3.97Å; K11-T21 HydrophobicContact CD-CG2 4.2Å; K11-T21 HydrophobicContact CG-CG2 3.81Å
12V84.5Confident84.6Confident88 Ų88105 Ų10553%0.53356%0.558SS.*EExtended strand (participates in β ladder)trans-100129.2178.5-165.90000108.2L10 Q19 S20L10-V12 HydrophobicContact CD1-CG2 4.45Å; L10-V12 HydrophobicContact CD2-CG2 3.98Å; L10-V12 HydrophobicContact CG-CG2 3.9Å; V12-Q19 WeakPolarHBondContact O-CA 3.47Å; V12-S20 PolarHBondContact N-O 3.43Å; V12-S20 PolarHBondContact O-N 3.5Å
13T87.6Confident85.5Confident70 Ų70101.5 Ų101.543%0.42955%0.548SS..EExtended strand (participates in β ladder)trans-118.6130178.2-50.80000109.1Q18 Q19T13-Q18 CarbonylContact C-O 3.57Å; T13-Q18 VanDerWaalsContact CA-O 3.26Å; T13-Q18 WeakPolarHBondContact CA-O 3.18Å; T13-Q19 HydrophobicContact CG2-CG 3.72Å; T13-Q19 WeakPolarHBondContact OG1-CG 3.47Å; T13-Q19 PolarHBondContact OG1-NE2 2.84Å
14D85.3Confident86.2Confident72 Ų7299 Ų9939%0.38554%0.542SS..  trans-83.7173.7176.1801000112.6S16 R17 Q18D14-S16 PolarHBondContact O-N 3.47Å; D14-S16 VanDerWaalsContact O-N 3.12Å; D14-S16 VanDerWaalsContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CA 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.41Å; D14-R17 PolarHBondContact O-N 3.26Å; D14-R17 PolarHBondContact OD1-N 2.83Å; D14-Q18 PolarHBondContact N-O 3.43Å; D14-Q18 PolarHBondContact OD1-N 3.2Å
15S85.1Confident86.6Confident132 Ų132101.8 Ų101.892%0.92355%0.553SS**THydrogen-bonded Turntrans-64.8-12.9179.1550000114
16S81.9Confident86.7Confident85 Ų8599.1 Ų99.159%0.59454%0.541SS*.THydrogen-bonded Turntrans-10113176.2-59.30000112.9D14 Q18D14-S16 PolarHBondContact O-N 3.47Å; D14-S16 VanDerWaalsContact O-N 3.12Å; D14-S16 VanDerWaalsContact OD1-CA 3.27Å; D14-S16 WeakPolarHBondContact OD1-CA 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.41Å; D14-S16 PolarHBondContact OD1-N 3.41Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 3.28Å
17R78.4Confident86.4Confident224 Ų224100.3 Ų100.385%0.84555%0.551SS**  trans64.918.3-178.3-50.2-166.1-159147.32.7116D14D14-R17 PolarHBondContact O-N 3.26Å; D14-R17 PolarHBondContact OD1-N 2.83Å
18Q84.9Confident86.2Confident135 Ų13598 Ų9863%0.63154%0.537SS*.  trans-79.1142.8171.2-60.7179.448.600109.8T13 D14 S16T13-Q18 CarbonylContact C-O 3.57Å; T13-Q18 VanDerWaalsContact CA-O 3.26Å; T13-Q18 WeakPolarHBondContact CA-O 3.18Å; D14-Q18 PolarHBondContact N-O 3.43Å; D14-Q18 PolarHBondContact OD1-N 3.2Å; S16-Q18 VanDerWaalsContact C-N 3.3Å; S16-Q18 PolarHBondContact O-N 3.28Å
19Q88.9Confident85.6Confident113 Ų113100.5 Ų100.553%0.52855%0.55SS.*EExtended strand (participates in β ladder)trans-127133.6-171.9-62.1-176.2-30.500111V12 T13V12-Q19 WeakPolarHBondContact O-CA 3.47Å; T13-Q19 HydrophobicContact CG2-CG 3.72Å; T13-Q19 WeakPolarHBondContact OG1-CG 3.47Å; T13-Q19 PolarHBondContact OG1-NE2 2.84Å
20S89.2Confident84.7Confident86 Ų8698.4 Ų98.460%0.60155%0.547SS*.EExtended strand (participates in β ladder)trans-123.3143.3167.8-1750000109.2V12V12-S20 PolarHBondContact N-O 3.43Å; V12-S20 PolarHBondContact O-N 3.5Å
21T88.9Confident83.9Confident71 Ų7199.2 Ų99.244%0.43655%0.548SS..EExtended strand (participates in β ladder)trans-121.3132.1179.655.90000110.7Q9 L10 K11Q9-T21 HydrophobicContact CG-CG2 4.48Å; L10-T21 CarbonylContact O-C 3.57Å; L10-T21 VanDerWaalsContact O-CA 3.24Å; L10-T21 WeakPolarHBondContact O-CA 3.46Å; K11-T21 HydrophobicContact CB-CG2 3.97Å; K11-T21 HydrophobicContact CD-CG2 4.2Å; K11-T21 HydrophobicContact CG-CG2 3.81Å
22A88.9Confident83.4Confident61 Ų6199.7 Ų99.750%0.50456%0.556SS.*EExtended strand (participates in β ladder)trans-115.9145168.100000108.8Q9 L10Q9-A22 CarbonylContact C-O 3.58Å; L10-A22 PolarHBondContact N-O 3.35Å; L10-A22 PolarHBondContact O-N 3.28Å
23V89.3Confident83.4Confident91 Ų9197 Ų9755%0.55254%0.539SS*.EExtended strand (participates in β ladder)trans-115.4133.5178.1-178.40000108.3T7 F8 Q9T7-V23 HydrophobicContact CG2-CG1 3.2Å; F8-V23 WeakPolarHBondContact O-CA 3.31Å; Q9-V23 HydrophobicContact CG-CG2 4.26Å
24V89.9Confident83.4Confident87 Ų87101.6 Ų101.653%0.52755%0.548SS..EExtended strand (participates in β ladder)trans-122.8131.8170.780.30000109.2F8F8-V24 HydrophobicContact CB-CG1 3.95Å; F8-V24 HydrophobicContact CD2-CG1 4.34Å; F8-V24 PolarHBondContact N-O 3.49Å; F8-V24 PolarHBondContact O-N 2.83Å
25T85.9Confident83.6Confident90 Ų90101.8 Ų101.855%0.55255%0.554SS**EExtended strand (participates in β ladder)trans-103.7123.2176.344.80000109.4Y6 T7Y6-T25 WeakPolarHBondContact O-CA 3.25Å; T7-T25 HydrophobicContact CG2-CG2 4.03Å
26V86.4Confident84Confident58 Ų5895.7 Ų95.735%0.35251%0.511SS..EExtended strand (participates in β ladder)trans-107.6111.7172.7-178.40000107.6Y6 F8 V28Y6-V26 PolarHBondContact N-O 2.93Å; Y6-V26 PolarHBondContact O-N 3.23Å; F8-V26 HydrophobicContact CD2-CG2 4.06Å; F8-V26 HydrophobicContact CE2-CB 4.2Å; F8-V26 HydrophobicContact CE2-CG2 3.9Å; V26-V28 HydrophobicContact CG1-CG2 4.42Å
27I81.9Confident84.7Confident100 Ų10095.6 Ų95.651%0.51351%0.507SS..EExtended strand (participates in β ladder)trans-93.2115.5178.2-60.3175.1000107.6D5 Q29D5-I27 WeakPolarHBondContact OD1-CG2 3.37Å; I27-Q29 HydrophobicContact CG2-CG 3.81Å
28V80.5Confident85.5Confident41 Ų4185.5 Ų85.525%0.24847%0.471CS..EExtended strand (participates in β ladder)trans-96.696.8173.4-1760000107.4M1 G4 Y6 V26M1-V28 HydrophobicContact CB-CG2 3.96Å; M1-V28 HydrophobicContact SD-CG2 4.2Å; G4-V28 PolarHBondContact N-O 2.82Å; G4-V28 PolarHBondContact O-N 3.39Å; Y6-V28 HydrophobicContact CD2-CG2 3.91Å; Y6-V28 HydrophobicContact CE2-CB 4.44Å; Y6-V28 HydrophobicContact CE2-CG2 3.89Å; V26-V28 HydrophobicContact CG1-CG2 4.42Å
29Q74.9Confident86.1Confident153 Ų15381.7 Ų81.772%0.71546%0.456SS*.PPolyproline II helixtrans-74.4149.4179-65.7-171.7-4.700111.3I27I27-Q29 HydrophobicContact CG2-CG 3.81Å
30P70.6Confident86.2Confident84 Ų8476.8 Ų76.855%0.54544%0.436SS..PPolyproline II helixtrans-59.9146.2171.526.4-34.3000110.3N32P30-N32 PolarHBondContact O-N 3.31Å
31E70.6Confident86.3Confident130 Ų13073.7 Ų73.761%0.60742%0.417SS*.PPolyproline II helixtrans-63.3125.6175.8-164.9169.9-144.900109.2N33 H64E31-N33 PolarHBondContact O-N 3.44Å; E31-H64 IonicContact OE1-CD2 3.64Å; E31-H64 PolarHBondContact OE1-CD2 3.47Å; E31-H64 IonicContact OE1-NE2 3.02Å; E31-H64 PolarHBondContact OE1-NE2 2.9Å
32N78.8Confident86.6Confident122 Ų12275.4 Ų75.465%0.65243%0.429SS*.  trans-79.286.5-179.6-17626.2000109.3P30P30-N32 PolarHBondContact O-N 3.31Å
33N83.4Confident87Confident33 Ų3377.5 Ų77.518%0.17643%0.432CS..  trans-98.9132.1-178.8-173.552.8000111.8E31 D63 H64 D108 Q110 L112E31-N33 PolarHBondContact O-N 3.44Å; N33-D63 PolarHBondContact OD1-OD1 2.92Å; N33-H64 PolarHBondContact OD1-ND1 2.78Å; N33-D108 PolarHBondContact ND2-OD2 2.96Å; N33-Q110 PolarHBondContact ND2-OE1 3.45Å; N33-L112 WeakPolarHBondContact ND2-CD1 3.28Å
34R86.9Confident87.2Confident165 Ų16575.9 Ų75.962%0.62342%0.417SS*.  trans-105153.8175.8-66.1-179.2-177.9-176.52110D63R34-D63 PolarHBondContact N-OD2 2.82Å; R34-D63 VanDerWaalsContact N-OD2 3.13Å
35P89.4Confident87.5Confident77 Ų7778.1 Ų78.150%0.542%0.422SS..  trans-64.7149.3173.828.2-34.6000110.6L112P35-L112 HydrophobicContact CB-CB 4.04Å; P35-L112 HydrophobicContact CB-CD1 4.23Å
36P95.2Very high87.8Confident3 Ų375.1 Ų75.12%0.01940%0.403CS..  trans-64.1154.9178.326.6-35.9000111.1D62 I66 V106 S114P36-D62 WeakPolarHBondContact CA-OD1 3.14Å; P36-D62 HydrophobicContact CB-CB 3.96Å; P36-D62 WeakPolarHBondContact CB-OD1 3.25Å; P36-I66 HydrophobicContact CB-CG1 4.24Å; P36-V106 HydrophobicContact CB-CG2 3.82Å; P36-V106 HydrophobicContact CG-CG2 3.91Å; P36-S114 WeakPolarHBondContact O-CB 3.4Å
37V95.8Very high88Confident84 Ų8477.1 Ų77.151%0.50941%0.41SS..BIsolated β-bridgetrans-102.2105.6173.3-1770000108.8V39 S60 S61V37-V39 HydrophobicContact CG1-CG2 4.3Å; V37-S60 VanDerWaalsContact O-CA 3.28Å; V37-S60 WeakPolarHBondContact O-CA 3.36Å; V37-S60 WeakPolarHBondContact O-CB 3.34Å; V37-S61 PolarHBondContact N-O 2.98Å; V37-S61 PolarHBondContact O-N 3.24Å; V37-S61 VanDerWaalsContact O-N 3.08Å
38A96.1Very high88.2Confident11 Ų1176 Ų769%0.09140%0.402CS..  trans-71.9128175.200000110.4V106 S116A38-V106 HydrophobicContact CB-CG2 3.69Å; A38-S116 WeakPolarHBondContact O-CB 3.23Å
39V96.4Very high88.6Confident55 Ų5579 Ų7933%0.33342%0.422SS..  trans-128.895.8172.9-1760000108.1V37 G57 S60V37-V39 HydrophobicContact CG1-CG2 4.3Å; V39-G57 WeakPolarHBondContact O-CA 3.46Å; V39-S60 PolarHBondContact N-OG 2.76Å
40A91.4Very high89.3Confident11 Ų1175.3 Ų75.39%0.09141%0.41CS..  trans-74.9126.8165.300000106.6W71 L104 S116 L118A40-W71 HydrophobicContact CB-CH2 3.94Å; A40-W71 HydrophobicContact CB-CZ3 4.13Å; A40-L104 HydrophobicContact CB-CB 4.12Å; A40-L104 HydrophobicContact CB-CD2 4.48Å; A40-S116 WeakPolarHBondContact CB-OG 3.43Å; A40-S116 PolarHBondContact N-OG 3.38Å; A40-L118 HydrophobicContact CB-CB 4.14Å; A40-L118 HydrophobicContact CB-CD2 4.14Å; A40-L118 HydrophobicContact CB-CG 4.5Å
41G91.8Very high90.4Very high20 Ų2075.4 Ų75.421%0.20640%0.403CS..  trans-53.8177.3-177.400000114.3D56G41-D56 WeakPolarHBondContact CA-O 3.34Å; G41-D56 PolarHBondContact N-O 3.28Å
42P95Very high91.5Very high107 Ų10772.3 Ų72.370%0.69540%0.396SS*.  trans-61.2155.4-17428-36.1000112.5
43D96.2Very high92.3Very high106 Ų10667 Ų6757%0.56737%0.369SS*.  trans-55.3143.6171.5-66.5-37.7000111.2T119D43-T119 CarbonylContact C-O 3.59Å; D43-T119 WeakPolarHBondContact CA-O 3.45Å; D43-T119 WeakPolarHBondContact CB-OG1 3.2Å; D43-T119 PolarHBondContact OD1-N 3.33Å; D43-T119 PolarHBondContact OD1-OG1 2.91Å
44K94.8Very high92.9Very high56 Ų5668.8 Ų68.824%0.24338%0.381CS..EExtended strand (participates in β ladder)trans-116.8139-176.3-59.9-167.5175.4-159.90111.4A53 T54 T119 V120 A121K44-A53 HydrophobicContact CD-CB 4.41Å; K44-T54 WeakPolarHBondContact CE-O 3.49Å; K44-T54 PolarHBondContact NZ-O 3.35Å; K44-T54 PolarHBondContact NZ-OG1 2.75Å; K44-T54 VanDerWaalsContact NZ-OG1 3.16Å; K44-T119 PolarHBondContact N-O 3.39Å; K44-V120 HydrophobicContact CB-CG1 4.35Å; K44-V120 HydrophobicContact CB-CG2 4.32Å; K44-V120 CarbonylContact O-C 3.5Å; K44-V120 WeakPolarHBondContact O-CA 3.48Å; K44-A121 PolarHBondContact O-N 2.03Å
45E94.9Very high93.4Very high135 Ų13561 Ų6163%0.63135%0.352SS*.EExtended strand (participates in β ladder)trans-114129.7167.6-61.4-159160.400109.9A121 K123E45-A121 CarbonylContact C-O 3.54Å; E45-A121 VanDerWaalsContact CA-O 3.32Å; E45-A121 WeakPolarHBondContact CA-O 3.48Å; E45-A121 HydrophobicContact CG-CB 4.46Å; E45-K123 IonicContact OE1-NZ 3.79Å; E45-K123 PolarHBondContact OE1-NZ 2.82Å; E45-K123 IonicContact OE2-NZ 3.83Å; E45-K123 PolarHBondContact OE2-NZ 3.32Å
46L93Very high93.7Very high27 Ų2760.2 Ų60.214%0.14134%0.344CS..EExtended strand (participates in β ladder)trans-117.2151.2175.5-55.7179.6000109.9V50 A53 L95 V120 A121 V122 K123L46-V50 HydrophobicContact CD1-CG1 4.48Å; L46-V50 HydrophobicContact CD2-CG1 4.36Å; L46-A53 HydrophobicContact CD1-CB 4.11Å; L46-L95 HydrophobicContact CD1-CD1 3.67Å; L46-V120 HydrophobicContact CD1-CG1 4.05Å; L46-V120 HydrophobicContact CG-CG1 4.24Å; L46-A121 PolarHBondContact N-O 3.33Å; L46-V122 HydrophobicContact CB-CG1 4.44Å; L46-V122 HydrophobicContact CB-CG2 4.18Å; L46-V122 HydrophobicContact CD1-CG2 4.09Å; L46-V122 WeakPolarHBondContact O-CA 3.31Å; L46-K123 PolarHBondContact O-N 3.26Å
47I90.3Very high93.7Very high99 Ų9960.1 Ų60.151%0.50834%0.343SS..EExtended strand (participates in β ladder)trans-108121.8172.2-58.2175000107.7V50 K123 E125I47-V50 WeakPolarHBondContact O-CB 3.46Å; I47-V50 WeakPolarHBondContact O-CG2 3.35Å; I47-V50 PolarHBondContact O-N 3.35Å; I47-K123 WeakPolarHBondContact CA-O 3.42Å; I47-E125 HydrophobicContact CG2-CB 3.95Å
48F86.8Confident93.6Very high78 Ų7859.1 Ų59.134%0.34234%0.339SS..EExtended strand (participates in β ladder)trans-58.1132.1174.1-172.2-91.1000109.5E51 V97 V122 K123F48-E51 HydrophobicContact CD2-CG 4.46Å; F48-E51 HydrophobicContact CE2-CG 4.09Å; F48-E51 VanDerWaalsContact CE2-OE1 3.29Å; F48-E51 WeakPolarHBondContact CE2-OE1 3.24Å; F48-V97 HydrophobicContact CB-CG2 4.01Å; F48-V97 HydrophobicContact CD2-CG2 4.17Å; F48-V97 HydrophobicContact CG-CG2 4.1Å; F48-V122 HydrophobicContact CB-CG1 4.22Å; F48-K123 PolarHBondContact N-O 3.05Å
49P88.3Confident93.6Very high103 Ų10362.6 Ų62.667%0.66936%0.363SS*.THydrogen-bonded Turncis-98.225.423.639.1-38.1000115.7E51P49-E51 PolarHBondContact O-N 2.9Å
50V90.4Very high93.5Very high76 Ų7660.5 Ų60.546%0.46135%0.351SS..  trans-74.9109.1170.5-177.60000109.2L46 I47L46-V50 HydrophobicContact CD1-CG1 4.48Å; L46-V50 HydrophobicContact CD2-CG1 4.36Å; I47-V50 WeakPolarHBondContact O-CB 3.46Å; I47-V50 WeakPolarHBondContact O-CG2 3.35Å; I47-V50 PolarHBondContact O-N 3.35Å
51E92.6Very high93.7Very high86 Ų8663.2 Ų63.240%0.40237%0.369SS..  trans-106.512-173.2-58.9-176.4174.300113.8F48 P49 T93 G94 L95F48-E51 HydrophobicContact CD2-CG 4.46Å; F48-E51 HydrophobicContact CE2-CG 4.09Å; F48-E51 VanDerWaalsContact CE2-OE1 3.29Å; F48-E51 WeakPolarHBondContact CE2-OE1 3.24Å; P49-E51 PolarHBondContact O-N 2.9Å; E51-T93 CarbonylContact O-C 3.59Å; E51-T93 WeakPolarHBondContact O-CA 3.41Å; E51-G94 PolarHBondContact O-N 3.32Å; E51-G94 VanDerWaalsContact O-N 3.07Å; E51-L95 WeakPolarHBondContact CB-O 3.33Å; E51-L95 WeakPolarHBondContact CG-O 3.26Å; E51-L95 WeakPolarHBondContact O-CB 3.36Å; E51-L95 PolarHBondContact O-N 2.92Å
52S94.4Very high93.8Very high64 Ų6463.9 Ų63.945%0.44837%0.368SS..  trans-135.3148.4-178.7680000113.5V92S52-V92 CarbonylContact C-O 3.57Å; S52-V92 WeakPolarHBondContact CA-O 3.27Å; S52-V92 WeakPolarHBondContact CB-O 3.45Å
53A95.8Very high93.5Very high11 Ų1162.4 Ų62.49%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-143.8150.3174.400000111.4K44 L46 V92 L95 V120K44-A53 HydrophobicContact CD-CB 4.41Å; L46-A53 HydrophobicContact CD1-CB 4.11Å; A53-V92 HydrophobicContact CB-CG1 3.96Å; A53-V92 PolarHBondContact N-O 3.49Å; A53-V92 WeakPolarHBondContact O-CG1 3.09Å; A53-V92 PolarHBondContact O-N 3.24Å; A53-L95 HydrophobicContact CB-CD1 4.13Å; A53-V120 HydrophobicContact CB-CG1 4.36Å
54T96.3Very high93.1Very high71 Ų7161.1 Ų61.144%0.43635%0.345SS..EExtended strand (participates in β ladder)trans-86.8142165.751.30000109.7K44 A90 T91K44-T54 WeakPolarHBondContact CE-O 3.49Å; K44-T54 PolarHBondContact NZ-O 3.35Å; K44-T54 PolarHBondContact NZ-OG1 2.75Å; K44-T54 VanDerWaalsContact NZ-OG1 3.16Å; T54-A90 CarbonylContact C-O 3.23Å; T54-A90 WeakPolarHBondContact CA-O 3.5Å; T54-T91 HydrophobicContact CG2-CG2 3.82Å
55L96.4Very high92.8Very high0 Ų059.9 Ų59.90%035%0.348CS..EExtended strand (participates in β ladder)trans-111.1125.2170.9-51-173.4000107.1W71 M82 I89 A90 V92 F102 L118 V120L55-W71 HydrophobicContact CB-CD2 4.13Å; L55-W71 HydrophobicContact CB-CE3 4.06Å; L55-W71 HydrophobicContact CB-CH2 3.84Å; L55-W71 HydrophobicContact CB-CZ2 3.91Å; L55-W71 HydrophobicContact CB-CZ3 3.92Å; L55-W71 HydrophobicContact CD1-CD2 4.15Å; L55-W71 HydrophobicContact CD1-CE3 3.72Å; L55-W71 HydrophobicContact CD1-CZ3 4.1Å; L55-M82 HydrophobicContact CD1-CE 3.88Å; L55-I89 VanDerWaalsContact O-CA 3.31Å; L55-I89 WeakPolarHBondContact O-CA 3.47Å; L55-A90 HydrophobicContact CB-CB 4.39Å; L55-A90 PolarHBondContact N-O 3.46Å; L55-A90 PolarHBondContact O-N 2.85Å; L55-V92 HydrophobicContact CD2-CG1 4.13Å; L55-V92 HydrophobicContact CG-CG1 4.3Å; L55-F102 HydrophobicContact CD1-CB 3.91Å; L55-F102 HydrophobicContact CD1-CD1 3.77Å; L55-F102 HydrophobicContact CD1-CD2 4.16Å; L55-F102 HydrophobicContact CD1-CE1 4.36Å; L55-F102 HydrophobicContact CD1-CG 3.66Å; L55-F102 HydrophobicContact CD2-CD2 4.29Å; L55-L118 HydrophobicContact CB-CD2 4.28Å; L55-L118 HydrophobicContact CD2-CD1 3.84Å; L55-L118 HydrophobicContact CD2-CD2 4.03Å; L55-V120 HydrophobicContact CD2-CG2 4.11Å
56D95.9Very high92.7Very high62 Ų6255.1 Ų55.133%0.33233%0.327SS..EExtended strand (participates in β ladder)trans-118.9118.2-174.2-171.1-3.6000110.3G41 S58G41-D56 WeakPolarHBondContact CA-O 3.34Å; G41-D56 PolarHBondContact N-O 3.28Å; D56-S58 WeakPolarHBondContact OD1-CB 3.29Å; D56-S58 PolarHBondContact OD1-N 3.42Å; D56-S58 PolarHBondContact OD1-OG 3.46Å; D56-S58 PolarHBondContact OD2-OG 2.93Å
57G94.9Very high92.8Very high0 Ų058.2 Ų58.20%035%0.346CS..  trans-115.87.1178.800000112.7V39 S59 S60 A88V39-G57 WeakPolarHBondContact O-CA 3.46Å; G57-S59 PolarHBondContact O-N 2.79Å; G57-S59 VanDerWaalsContact O-N 3.13Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.9Å; G57-A88 WeakPolarHBondContact CA-O 3.43Å; G57-A88 PolarHBondContact N-O 2.85Å
58S94.4Very high93Very high63 Ų6357.2 Ų57.244%0.44134%0.338SS..THydrogen-bonded Turntrans-63.4-17.4-174.662.90000114.3D56 S60D56-S58 WeakPolarHBondContact OD1-CB 3.29Å; D56-S58 PolarHBondContact OD1-N 3.42Å; D56-S58 PolarHBondContact OD1-OG 3.46Å; D56-S58 PolarHBondContact OD2-OG 2.93Å; S58-S60 PolarHBondContact O-N 3.25Å
59S95.5Very high93.5Very high84 Ų8455.3 Ų55.359%0.58733%0.329SS*.THydrogen-bonded Turntrans-80.10.6173.7-60.90000113.6G57G57-S59 PolarHBondContact O-N 2.79Å; G57-S59 VanDerWaalsContact O-N 3.13Å
60S95.4Very high93.9Very high12 Ų1253.5 Ų53.58%0.08431%0.312CS..  trans-67.4143.2172.3-55.30000110.1V37 V39 G57 S58 I66V37-S60 VanDerWaalsContact O-CA 3.28Å; V37-S60 WeakPolarHBondContact O-CA 3.36Å; V37-S60 WeakPolarHBondContact O-CB 3.34Å; V39-S60 PolarHBondContact N-OG 2.76Å; G57-S60 VanDerWaalsContact O-CB 3.27Å; G57-S60 WeakPolarHBondContact O-CB 3.38Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.9Å; S58-S60 PolarHBondContact O-N 3.25Å; S60-I66 VanDerWaalsContact CB-CD1 3.43Å
61S94.3Very high94.2Very high68 Ų6850 Ų5048%0.47629%0.29SS..BIsolated β-bridgetrans-139154.6-174.956.80000112.2V37V37-S61 PolarHBondContact N-O 2.98Å; V37-S61 PolarHBondContact O-N 3.24Å; V37-S61 VanDerWaalsContact O-N 3.08Å
62D94.1Very high94.4Very high33 Ų3348.2 Ų48.218%0.17628%0.282CS..  trans-150.4156.3179.6-173.673.7000109P36 H64 G65 I66P36-D62 WeakPolarHBondContact CA-OD1 3.14Å; P36-D62 HydrophobicContact CB-CB 3.96Å; P36-D62 WeakPolarHBondContact CB-OD1 3.25Å; D62-H64 PolarHBondContact OD2-N 3.09Å; D62-G65 PolarHBondContact OD2-N 2.84Å; D62-I66 HydrophobicContact CB-CG1 3.73Å
63D89.3Confident94.5Very high77 Ų7748 Ų4841%0.41227%0.274SS..SBendtrans-77-27.8-179.255.4-4.5000113.2N33 R34N33-D63 PolarHBondContact OD1-OD1 2.92Å; R34-D63 PolarHBondContact N-OD2 2.82Å; R34-D63 VanDerWaalsContact N-OD2 3.13Å
64H86.8Confident94.5Very high78 Ų7850.6 Ų50.636%0.36129%0.288SS..SBendtrans-113.3-7.6177.1-59.684.2000113.3E31 N33 D62E31-H64 IonicContact OE1-CD2 3.64Å; E31-H64 PolarHBondContact OE1-CD2 3.47Å; E31-H64 IonicContact OE1-NE2 3.02Å; E31-H64 PolarHBondContact OE1-NE2 2.9Å; N33-H64 PolarHBondContact OD1-ND1 2.78Å; D62-H64 PolarHBondContact OD2-N 3.09Å
65G89.1Confident94.4Very high31 Ų3154.8 Ų54.832%0.3230%0.296SS..  trans107.8148.6171.600000113.4D62D62-G65 PolarHBondContact OD2-N 2.84Å
66I93.8Very high94.2Very high35 Ų3556.5 Ų56.518%0.17931%0.314CS..EExtended strand (participates in β ladder)trans-87.6125.9-179.4-59.1171.5000109.5P36 S60 D62 F68 Y69 V106P36-I66 HydrophobicContact CB-CG1 4.24Å; S60-I66 VanDerWaalsContact CB-CD1 3.43Å; D62-I66 HydrophobicContact CB-CG1 3.73Å; I66-F68 WeakPolarHBondContact CG2-O 3.26Å; I66-Y69 HydrophobicContact CB-CE2 4.02Å; I66-Y69 HydrophobicContact CD1-CE1 4.49Å; I66-Y69 WeakPolarHBondContact CD1-OH 3.35Å; I66-Y69 HydrophobicContact CG2-CD2 3.94Å; I66-Y69 HydrophobicContact CG2-CE1 4.29Å; I66-Y69 HydrophobicContact CG2-CE2 3.4Å; I66-Y69 VanDerWaalsContact CG2-CE2 3.4Å; I66-V106 HydrophobicContact CD1-CB 4.29Å; I66-V106 HydrophobicContact CD1-CG1 4.39Å; I66-V106 HydrophobicContact CD1-CG2 4.48Å; I66-V106 HydrophobicContact CG2-CB 3.94Å; I66-V106 HydrophobicContact CG2-CG1 4.31Å
67V94Very high94Very high91 Ų9157.5 Ų57.555%0.55232%0.324SS*.EExtended strand (participates in β ladder)trans-103.5-15179.9-58.40000113.1K107 D108 Q109V67-K107 PolarHBondContact N-O 2.87Å; V67-D108 VanDerWaalsContact CG2-C 3.48Å; V67-D108 VanDerWaalsContact CG2-O 3.24Å; V67-D108 WeakPolarHBondContact CG2-O 3.01Å; V67-Q109 HydrophobicContact CG1-CB 4.04Å
68F95Very high93.8Very high78 Ų7858.7 Ų58.734%0.34233%0.332SS..EExtended strand (participates in β ladder)trans-144134.1-175.5-177.4-98.1000111.6I66 H70 V106 K107I66-F68 WeakPolarHBondContact CG2-O 3.26Å; F68-H70 HydrophobicContact CD1-CB 4.39Å; F68-H70 HydrophobicContact CE1-CB 3.45Å; F68-H70 VanDerWaalsContact CE1-CB 3.45Å; F68-H70 HydrophobicContact CZ-CB 3.71Å; F68-V106 VanDerWaalsContact O-CA 3.29Å; F68-V106 WeakPolarHBondContact O-CA 3.35Å; F68-K107 HydrophobicContact CB-CB 4.11Å; F68-K107 HydrophobicContact CD1-CB 4.46Å; F68-K107 HydrophobicContact CD1-CD 4.04Å; F68-K107 HydrophobicContact CD1-CG 4.02Å; F68-K107 PolarHBondContact N-O 2.73Å; F68-K107 PolarHBondContact O-N 3.43Å
69Y96.6Very high93.6Very high39 Ų3960 Ų6015%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-120.3147.1169.5-69.1-99.8000107.7I66 D86 A88 L104 T105 V106I66-Y69 HydrophobicContact CB-CE2 4.02Å; I66-Y69 HydrophobicContact CD1-CE1 4.49Å; I66-Y69 WeakPolarHBondContact CD1-OH 3.35Å; I66-Y69 HydrophobicContact CG2-CD2 3.94Å; I66-Y69 HydrophobicContact CG2-CE1 4.29Å; I66-Y69 HydrophobicContact CG2-CE2 3.4Å; I66-Y69 VanDerWaalsContact CG2-CE2 3.4Å; Y69-D86 CarbonylContact O-C 3.59Å; Y69-D86 WeakPolarHBondContact O-CA 3.32Å; Y69-A88 HydrophobicContact CD1-CB 4.12Å; Y69-A88 HydrophobicContact CD2-CB 4.46Å; Y69-A88 HydrophobicContact CE1-CB 3.92Å; Y69-A88 HydrophobicContact CE2-CB 4.27Å; Y69-A88 HydrophobicContact CG-CB 4.41Å; Y69-L104 HydrophobicContact CD1-CD1 4Å; Y69-T105 CarbonylContact C-O 3.5Å; Y69-T105 WeakPolarHBondContact CA-O 3.47Å; Y69-V106 HydrophobicContact CD1-CG1 3.62Å; Y69-V106 HydrophobicContact CE1-CG1 3.7Å; Y69-V106 HydrophobicContact CG-CG1 4.36Å
70H97.2Very high93.6Very high64 Ų6457.2 Ų57.230%0.29633%0.326SS..EExtended strand (participates in β ladder)trans-151.3123.6170.9-174.973.3000110.8F68 I85 D86 L104 T105F68-H70 HydrophobicContact CD1-CB 4.39Å; F68-H70 HydrophobicContact CE1-CB 3.45Å; F68-H70 VanDerWaalsContact CE1-CB 3.45Å; F68-H70 HydrophobicContact CZ-CB 3.71Å; H70-I85 CarbonylContact C-O 3.56Å; H70-I85 WeakPolarHBondContact CA-O 3.42Å; H70-D86 IonicContact CE1-OD1 2.7Å; H70-D86 IonicContact CG-OD1 3.64Å; H70-D86 IonicContact ND1-OD1 2.76Å; H70-D86 PolarHBondContact ND1-OD1 3.4Å; H70-L104 CarbonylContact O-C 3.6Å; H70-L104 WeakPolarHBondContact O-CA 3.22Å; H70-T105 PolarHBondContact N-O 3.29Å; H70-T105 PolarHBondContact O-N 3.48Å
71W97.6Very high93.6Very high2 Ų263.6 Ų63.61%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-98.9135.8174.5-69.795.3000111.5A40 L55 M82 I85 K87 A90 F102 R103 L104 L118A40-W71 HydrophobicContact CB-CH2 3.94Å; A40-W71 HydrophobicContact CB-CZ3 4.13Å; L55-W71 HydrophobicContact CB-CD2 4.13Å; L55-W71 HydrophobicContact CB-CE3 4.06Å; L55-W71 HydrophobicContact CB-CH2 3.84Å; L55-W71 HydrophobicContact CB-CZ2 3.91Å; L55-W71 HydrophobicContact CB-CZ3 3.92Å; L55-W71 HydrophobicContact CD1-CD2 4.15Å; L55-W71 HydrophobicContact CD1-CE3 3.72Å; L55-W71 HydrophobicContact CD1-CZ3 4.1Å; W71-M82 HydrophobicContact CB-CE 3.62Å; W71-I85 HydrophobicContact CB-CG2 4.35Å; W71-I85 VanDerWaalsContact CD1-O 3.3Å; W71-I85 PolarHBondContact N-O 3.14Å; W71-I85 WeakPolarHBondContact O-CG2 3.38Å; W71-K87 PolarHBondContact NE1-O 3.32Å; W71-A90 HydrophobicContact CB-CB 4.32Å; W71-A90 VanDerWaalsContact CD1-CB 3.45Å; W71-A90 HydrophobicContact CD2-CB 4.45Å; W71-A90 HydrophobicContact CG-CB 3.84Å; W71-F102 HydrophobicContact CE3-CB 4.36Å; W71-R103 WeakPolarHBondContact CA-O 3.43Å; W71-L104 HydrophobicContact CD2-CB 4.22Å; W71-L104 HydrophobicContact CD2-CD1 4.03Å; W71-L104 HydrophobicContact CE3-CB 3.9Å; W71-L104 HydrophobicContact CG-CD1 4.4Å; W71-L104 HydrophobicContact CH2-CB 3.83Å; W71-L104 HydrophobicContact CH2-CD2 4.15Å; W71-L104 HydrophobicContact CH2-CG 4.38Å; W71-L104 HydrophobicContact CZ2-CB 4.14Å; W71-L104 HydrophobicContact CZ2-CD1 3.98Å; W71-L104 HydrophobicContact CZ2-CD2 3.99Å; W71-L104 HydrophobicContact CZ2-CG 4.25Å; W71-L104 HydrophobicContact CZ3-CB 3.7Å; W71-L118 HydrophobicContact CH2-CD2 3.67Å; W71-L118 HydrophobicContact CZ3-CD2 3.55Å; W71-L118 HydrophobicContact CZ3-CG 4.28Å
72E96.3Very high93.7Very high50 Ų5062 Ų6223%0.23434%0.34CS..EExtended strand (participates in β ladder)trans-134.2140.6174.346.1151.5-111.200111.4V74 F102 R103E72-V74 PolarHBondContact O-N 3.49Å; E72-V74 WeakPolarHBondContact OE1-CG2 3.37Å; E72-F102 CarbonylContact O-C 3.59Å; E72-F102 VanDerWaalsContact O-CA 3.29Å; E72-F102 WeakPolarHBondContact O-CA 3.25Å; E72-R103 VanDerWaalsContact CD-NE 3.27Å; E72-R103 HydrophobicContact CG-CB 3.93Å; E72-R103 HydrophobicContact CG-CG 4.49Å; E72-R103 WeakPolarHBondContact CG-O 3.34Å; E72-R103 PolarHBondContact N-O 2.96Å; E72-R103 PolarHBondContact O-N 2.99Å; E72-R103 IonicContact OE1-CZ 2.89Å; E72-R103 IonicContact OE1-NE 3.97Å; E72-R103 PolarHBondContact OE1-NE 3.26Å; E72-R103 IonicContact OE1-NH2 2.57Å; E72-R103 PolarHBondContact OE1-NH2 3.36Å; E72-R103 IonicContact OE2-CZ 2.77Å; E72-R103 IonicContact OE2-NE 3.04Å; E72-R103 IonicContact OE2-NH2 2.77Å; E72-R103 PolarHBondContact OE2-NH2 3Å
73H95.8Very high93.8Very high59 Ų5966.2 Ų66.227%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-80.3111.2169.4174.4-132.4000109.3R75 G76 S78 V80 M82 Y100 F102H73-R75 PolarHBondContact NE2-O 2.98Å; H73-R75 VanDerWaalsContact NE2-O 3.13Å; H73-G76 PolarHBondContact NE2-N 2.88Å; H73-S78 PolarHBondContact CE1-O 2.89Å; H73-V80 HydrophobicContact CB-CG2 3.93Å; H73-M82 HydrophobicContact CB-SD 3.95Å; H73-Y100 AromaticContact NE2-CD1 3.48Å; H73-Y100 WeakPolarHBondContact NE2-CD1 3.02Å; H73-F102 HydrophobicContact CB-CD1 4.09Å; H73-F102 HydrophobicContact CB-CE1 3.86Å; H73-F102 AromaticContact CD2-CE1 3.89Å
74V95.3Very high94.1Very high65 Ų6565.9 Ų65.939%0.39436%0.357SS..EExtended strand (participates in β ladder)trans-83.4-48-174.2-176.90000111.3E72 H101 R103E72-V74 PolarHBondContact O-N 3.49Å; E72-V74 WeakPolarHBondContact OE1-CG2 3.37Å; V74-H101 HydrophobicContact CB-CB 4.38Å; V74-H101 WeakPolarHBondContact CB-O 3.4Å; V74-H101 PolarHBondContact N-O 2.78Å; V74-R103 HydrophobicContact CG2-CB 3.54Å
75R94.4Very high94.6Very high160 Ų16064.8 Ų64.860%0.60435%0.353SS*.EExtended strand (participates in β ladder)trans-160.5150.4-178.566.8-179.675.6171.23110.8H73 Y100 H101H73-R75 PolarHBondContact NE2-O 2.98Å; H73-R75 VanDerWaalsContact NE2-O 3.13Å; R75-Y100 CarbonylContact O-C 3.57Å; R75-Y100 WeakPolarHBondContact O-CA 3.24Å; R75-H101 HydrophobicContact CG-CB 3.79Å; R75-H101 WeakPolarHBondContact CG-ND1 3.45Å; R75-H101 PolarHBondContact O-N 3.05Å
76G92.5Very high94.9Very high36 Ų3667.8 Ų67.837%0.37136%0.362SS..  trans-179.8169.6176.700000110.4H73 S78H73-G76 PolarHBondContact NE2-N 2.88Å; G76-S78 VanDerWaalsContact C-N 3.3Å; G76-S78 PolarHBondContact O-N 3.44Å
77P91.6Very high95Very high82 Ų8272.1 Ų72.153%0.53238%0.379SS..SBendtrans-70.2-24-179.229.6-37.6000113.6Y100P77-Y100 HydrophobicContact CG-CE1 4.14Å; P77-Y100 HydrophobicContact CG-CE2 3.89Å; P77-Y100 WeakPolarHBondContact CG-OH 3.47Å
78S91.3Very high95Very high25 Ų2569 Ų6918%0.17536%0.363CS..SBendtrans-136.2165.8179.470.60000111.5H73 G76 Y100H73-S78 PolarHBondContact CE1-O 2.89Å; G76-S78 VanDerWaalsContact C-N 3.3Å; G76-S78 PolarHBondContact O-N 3.44Å; S78-Y100 WeakPolarHBondContact O-CE1 3.39Å; S78-Y100 PolarHBondContact OG-OH 3.19Å
79A91.1Very high95.1Very high90 Ų9069.5 Ų69.574%0.74437%0.369SS*.  trans-66.4152.9162.800000110
80V94.8Very high95.1Very high27 Ų2767.7 Ų67.716%0.16436%0.361CS..  trans-133.5153.2179.8-62.10000109H73 M82 V92 L95 Y100 F102H73-V80 HydrophobicContact CB-CG2 3.93Å; V80-M82 HydrophobicContact CG2-CG 4.22Å; V80-M82 HydrophobicContact CG2-SD 4.49Å; V80-V92 HydrophobicContact CB-CG2 3.71Å; V80-V92 HydrophobicContact CG1-CG2 4.28Å; V80-V92 HydrophobicContact CG2-CG2 3.85Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V80-Y100 HydrophobicContact CG1-CD1 3.66Å; V80-Y100 HydrophobicContact CG1-CE1 3.36Å; V80-F102 HydrophobicContact CG2-CE1 4.05Å; V80-F102 HydrophobicContact CG2-CZ 4.32Å
81E95.7Very high95Very high145 Ų14566.6 Ų66.668%0.67836%0.36SS*.EExtended strand (participates in β ladder)trans-97.6136.2173.2-69.2179.2174.400109V92 T93E81-V92 CarbonylContact O-C 3.51Å; E81-V92 VanDerWaalsContact O-CA 3.3Å; E81-V92 WeakPolarHBondContact O-CA 3.2Å; E81-V92 WeakPolarHBondContact O-CG2 3.18Å; E81-T93 WeakPolarHBondContact CB-OG1 3.4Å; E81-T93 PolarHBondContact N-O 2.94Å; E81-T93 PolarHBondContact O-N 2.9Å
82M96.3Very high95Very high34 Ų3466.5 Ų66.517%0.16736%0.359CS..EExtended strand (participates in β ladder)trans-128.5130.4-178.7-62.4179.570.200110.2L55 W71 H73 V80 I85 T91 V92 F102L55-M82 HydrophobicContact CD1-CE 3.88Å; W71-M82 HydrophobicContact CB-CE 3.62Å; H73-M82 HydrophobicContact CB-SD 3.95Å; V80-M82 HydrophobicContact CG2-CG 4.22Å; V80-M82 HydrophobicContact CG2-SD 4.49Å; M82-I85 HydrophobicContact CB-CD1 3.85Å; M82-I85 HydrophobicContact CB-CG1 3.65Å; M82-T91 CarbonylContact C-O 3.37Å; M82-T91 WeakPolarHBondContact CA-O 3.32Å; M82-V92 HydrophobicContact CG-CB 4.25Å; M82-V92 HydrophobicContact CG-CG2 4.07Å; M82-F102 HydrophobicContact CE-CD1 3.82Å; M82-F102 HydrophobicContact CE-CE1 4.1Å; M82-F102 HydrophobicContact SD-CD1 4.01Å; M82-F102 HydrophobicContact SD-CE1 3.85Å
83E96.3Very high95Very high122 Ų12266.4 Ų66.457%0.5736%0.362SS*.EExtended strand (participates in β ladder)trans-113153.8174.5-62.3-179.4165.600110.2I85 A90 T91E83-I85 PolarHBondContact O-N 3.44Å; E83-A90 WeakPolarHBondContact O-CA 3.34Å; E83-A90 WeakPolarHBondContact O-CB 3.09Å; E83-T91 WeakPolarHBondContact CB-OG1 3Å; E83-T91 PolarHBondContact N-O 3.28Å; E83-T91 PolarHBondContact O-N 3.46Å
84N95.9Very high94.8Very high70 Ų7065 Ų6537%0.37436%0.363SS..SBendtrans56.935.4-178.4-60.3-64.9000113.5D86 K87 I89N84-D86 PolarHBondContact O-N 3.48Å; N84-D86 VanDerWaalsContact O-N 3.16Å; N84-K87 HydrophobicContact CB-CB 4.26Å; N84-K87 HydrophobicContact CB-CD 3.99Å; N84-K87 HydrophobicContact CB-CG 4.28Å; N84-K87 PolarHBondContact O-N 2.8Å; N84-K87 WeakPolarHBondContact OD1-CE 3.31Å; N84-K87 PolarHBondContact OD1-NZ 3.45Å; N84-I89 WeakPolarHBondContact CB-O 3.21Å
85I96.3Very high94.8Very high55 Ų5561.9 Ų61.928%0.28235%0.345SS..THydrogen-bonded Turntrans-52.7-37.6-177.3-66.9172.2000112.8H70 W71 M82 E83 K87H70-I85 CarbonylContact C-O 3.56Å; H70-I85 WeakPolarHBondContact CA-O 3.42Å; W71-I85 HydrophobicContact CB-CG2 4.35Å; W71-I85 VanDerWaalsContact CD1-O 3.3Å; W71-I85 PolarHBondContact N-O 3.14Å; W71-I85 WeakPolarHBondContact O-CG2 3.38Å; M82-I85 HydrophobicContact CB-CD1 3.85Å; M82-I85 HydrophobicContact CB-CG1 3.65Å; E83-I85 PolarHBondContact O-N 3.44Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.91Å
86D96Very high94.8Very high95 Ų9559.9 Ų59.951%0.50834%0.342SS..THydrogen-bonded Turntrans-9519.4-177-54.5-50.2000113.8Y69 H70 N84Y69-D86 CarbonylContact O-C 3.59Å; Y69-D86 WeakPolarHBondContact O-CA 3.32Å; H70-D86 IonicContact CE1-OD1 2.7Å; H70-D86 IonicContact CG-OD1 3.64Å; H70-D86 IonicContact ND1-OD1 2.76Å; H70-D86 PolarHBondContact ND1-OD1 3.4Å; N84-D86 PolarHBondContact O-N 3.48Å; N84-D86 VanDerWaalsContact O-N 3.16Å
87K95.5Very high94.8Very high125 Ų12561.8 Ų61.854%0.54335%0.346SS..SBendtrans-114.1164.1177.5-61.6-172.3-174.7160.90111.4W71 N84 I85 I89W71-K87 PolarHBondContact NE1-O 3.32Å; N84-K87 HydrophobicContact CB-CB 4.26Å; N84-K87 HydrophobicContact CB-CD 3.99Å; N84-K87 HydrophobicContact CB-CG 4.28Å; N84-K87 PolarHBondContact O-N 2.8Å; N84-K87 WeakPolarHBondContact OD1-CE 3.31Å; N84-K87 PolarHBondContact OD1-NZ 3.45Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 2.91Å; K87-I89 PolarHBondContact O-N 2.91Å
88A93.7Very high94.9Very high26 Ų2658.9 Ų58.922%0.21533%0.331CS..SBendtrans-58.6-32.9175.200000112.8G57 Y69G57-A88 WeakPolarHBondContact CA-O 3.43Å; G57-A88 PolarHBondContact N-O 2.85Å; Y69-A88 HydrophobicContact CD1-CB 4.12Å; Y69-A88 HydrophobicContact CD2-CB 4.46Å; Y69-A88 HydrophobicContact CE1-CB 3.92Å; Y69-A88 HydrophobicContact CE2-CB 4.27Å; Y69-A88 HydrophobicContact CG-CB 4.41Å
89I96.4Very high95.1Very high89 Ų8961.1 Ų61.146%0.45634%0.344SS..EExtended strand (participates in β ladder)trans-118.1122.5175.8-56.5173.2000108.8L55 N84 K87L55-I89 VanDerWaalsContact O-CA 3.31Å; L55-I89 WeakPolarHBondContact O-CA 3.47Å; N84-I89 WeakPolarHBondContact CB-O 3.21Å; K87-I89 PolarHBondContact O-N 2.91Å
90A96.5Very high95.3Very high0 Ų056.8 Ų56.80%031%0.308CS..EExtended strand (participates in β ladder)trans-114159.2174.600000110.9T54 L55 W71 E83T54-A90 CarbonylContact C-O 3.23Å; T54-A90 WeakPolarHBondContact CA-O 3.5Å; L55-A90 HydrophobicContact CB-CB 4.39Å; L55-A90 PolarHBondContact N-O 3.46Å; L55-A90 PolarHBondContact O-N 2.85Å; W71-A90 HydrophobicContact CB-CB 4.32Å; W71-A90 VanDerWaalsContact CD1-CB 3.45Å; W71-A90 HydrophobicContact CD2-CB 4.45Å; W71-A90 HydrophobicContact CG-CB 3.84Å; E83-A90 WeakPolarHBondContact O-CA 3.34Å; E83-A90 WeakPolarHBondContact O-CB 3.09Å
91T96.8Very high95.4Very high42 Ų4258.3 Ų58.326%0.25831%0.314SS..EExtended strand (participates in β ladder)trans-120.6133.2174.633.60000109.1T54 M82 E83T54-T91 HydrophobicContact CG2-CG2 3.82Å; M82-T91 CarbonylContact C-O 3.37Å; M82-T91 WeakPolarHBondContact CA-O 3.32Å; E83-T91 WeakPolarHBondContact CB-OG1 3Å; E83-T91 PolarHBondContact N-O 3.28Å; E83-T91 PolarHBondContact O-N 3.46Å
92V96.7Very high95.5Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-114.5135.9174.859.30000110S52 A53 L55 V80 E81 M82 L95 F102S52-V92 CarbonylContact C-O 3.57Å; S52-V92 WeakPolarHBondContact CA-O 3.27Å; S52-V92 WeakPolarHBondContact CB-O 3.45Å; A53-V92 HydrophobicContact CB-CG1 3.96Å; A53-V92 PolarHBondContact N-O 3.49Å; A53-V92 WeakPolarHBondContact O-CG1 3.09Å; A53-V92 PolarHBondContact O-N 3.24Å; L55-V92 HydrophobicContact CD2-CG1 4.13Å; L55-V92 HydrophobicContact CG-CG1 4.3Å; V80-V92 HydrophobicContact CB-CG2 3.71Å; V80-V92 HydrophobicContact CG1-CG2 4.28Å; V80-V92 HydrophobicContact CG2-CG2 3.85Å; E81-V92 CarbonylContact O-C 3.51Å; E81-V92 VanDerWaalsContact O-CA 3.3Å; E81-V92 WeakPolarHBondContact O-CA 3.2Å; E81-V92 WeakPolarHBondContact O-CG2 3.18Å; M82-V92 HydrophobicContact CG-CB 4.25Å; M82-V92 HydrophobicContact CG-CG2 4.07Å; V92-L95 HydrophobicContact CG1-CD1 4.03Å; V92-L95 HydrophobicContact CG1-CG 4.5Å; V92-L95 HydrophobicContact CG2-CD2 4.04Å; V92-L95 HydrophobicContact CG2-CG 4.26Å; V92-F102 HydrophobicContact CB-CE1 4.46Å; V92-F102 HydrophobicContact CB-CZ 4.32Å; V92-F102 HydrophobicContact CG1-CZ 4.19Å; V92-F102 HydrophobicContact CG2-CE1 4.02Å; V92-F102 HydrophobicContact CG2-CZ 3.79Å
93T96Very high95.6Very high47 Ų4754.3 Ų54.329%0.28829%0.29SS..EExtended strand (participates in β ladder)trans-131.2162.8-179.549.30000110.7E51 E81E51-T93 CarbonylContact O-C 3.59Å; E51-T93 WeakPolarHBondContact O-CA 3.41Å; E81-T93 WeakPolarHBondContact CB-OG1 3.4Å; E81-T93 PolarHBondContact N-O 2.94Å; E81-T93 PolarHBondContact O-N 2.9Å
94G92.9Very high95.6Very high30 Ų3048.5 Ų48.531%0.30926%0.263SS..  trans75.725.8-178.700000113.6E51 Q96E51-G94 PolarHBondContact O-N 3.32Å; E51-G94 VanDerWaalsContact O-N 3.07Å; G94-Q96 PolarHBondContact O-N 2.74Å
95L94.4Very high95.7Very high0 Ų046.1 Ų46.10%025%0.251CS..  trans-71.8124.5175.3-63.7167000110.4L46 E51 A53 V80 V92 Y100 F102 V120 V122L46-L95 HydrophobicContact CD1-CD1 3.67Å; E51-L95 WeakPolarHBondContact CB-O 3.33Å; E51-L95 WeakPolarHBondContact CG-O 3.26Å; E51-L95 WeakPolarHBondContact O-CB 3.36Å; E51-L95 PolarHBondContact O-N 2.92Å; A53-L95 HydrophobicContact CB-CD1 4.13Å; V80-L95 HydrophobicContact CG1-CD2 3.77Å; V92-L95 HydrophobicContact CG1-CD1 4.03Å; V92-L95 HydrophobicContact CG1-CG 4.5Å; V92-L95 HydrophobicContact CG2-CD2 4.04Å; V92-L95 HydrophobicContact CG2-CG 4.26Å; L95-Y100 HydrophobicContact CB-CE2 4.43Å; L95-Y100 HydrophobicContact CD2-CD1 4.04Å; L95-Y100 HydrophobicContact CD2-CD2 3.68Å; L95-Y100 HydrophobicContact CD2-CE1 4.19Å; L95-Y100 HydrophobicContact CD2-CE2 3.85Å; L95-Y100 HydrophobicContact CD2-CG 3.79Å; L95-F102 HydrophobicContact CD2-CZ 4.31Å; L95-V120 HydrophobicContact CD1-CG1 3.98Å; L95-V122 HydrophobicContact CB-CG2 3.8Å; L95-V122 HydrophobicContact CD1-CG2 4.39Å
96Q93.3Very high95.7Very high118 Ų11843.5 Ų43.555%0.55124%0.238SC*.  trans-101.8174.2173.2-63.4-173.7-6.300110.8G94 G98 Y100 V122G94-Q96 PolarHBondContact O-N 2.74Å; Q96-G98 PolarHBondContact O-N 3.4Å; Q96-Y100 PolarHBondContact N-OH 2.99Å; Q96-Y100 VanDerWaalsContact O-CE2 3.29Å; Q96-Y100 WeakPolarHBondContact O-CE2 2.98Å; Q96-Y100 PolarHBondContact O-OH 2.87Å; Q96-V122 VanDerWaalsContact O-CB 3.3Å; Q96-V122 WeakPolarHBondContact O-CB 3.03Å
97V93.2Very high95.6Very high75 Ų7543 Ų4346%0.45523%0.231SC..SBendtrans-59.9123.7179.3178.40000111.1F48 V122 K124F48-V97 HydrophobicContact CB-CG2 4.01Å; F48-V97 HydrophobicContact CD2-CG2 4.17Å; F48-V97 HydrophobicContact CG-CG2 4.1Å; V97-V122 WeakPolarHBondContact CA-O 3.49Å; V97-K124 HydrophobicContact CG1-CB 4.47Å; V97-K124 HydrophobicContact CG2-CB 4.22Å
98G93.1Very high95.5Very high21 Ų2137.2 Ų37.222%0.21621%0.206CC..EExtended strand (participates in β ladder)trans142.6-170.4178.300000112.8Q96 V122Q96-G98 PolarHBondContact O-N 3.4Å; G98-V122 PolarHBondContact N-O 3.37Å; G98-V122 PolarHBondContact O-N 2.99Å
99T95.9Very high95.3Very high72 Ų7243.3 Ų43.344%0.44223%0.23SC..EExtended strand (participates in β ladder)trans-112.9122.2-174.5-520000111.3A121T99-A121 HydrophobicContact CG2-CB 4.45Å
100Y96.6Very high94.8Very high0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-106.4145.4178.2-61.2-100.8000110H73 R75 P77 S78 V80 L95 Q96 T119 V120 V122H73-Y100 AromaticContact NE2-CD1 3.48Å; H73-Y100 WeakPolarHBondContact NE2-CD1 3.02Å; R75-Y100 CarbonylContact O-C 3.57Å; R75-Y100 WeakPolarHBondContact O-CA 3.24Å; P77-Y100 HydrophobicContact CG-CE1 4.14Å; P77-Y100 HydrophobicContact CG-CE2 3.89Å; P77-Y100 WeakPolarHBondContact CG-OH 3.47Å; S78-Y100 WeakPolarHBondContact O-CE1 3.39Å; S78-Y100 PolarHBondContact OG-OH 3.19Å; V80-Y100 HydrophobicContact CG1-CD1 3.66Å; V80-Y100 HydrophobicContact CG1-CE1 3.36Å; L95-Y100 HydrophobicContact CB-CE2 4.43Å; L95-Y100 HydrophobicContact CD2-CD1 4.04Å; L95-Y100 HydrophobicContact CD2-CD2 3.68Å; L95-Y100 HydrophobicContact CD2-CE1 4.19Å; L95-Y100 HydrophobicContact CD2-CE2 3.85Å; L95-Y100 HydrophobicContact CD2-CG 3.79Å; Q96-Y100 PolarHBondContact N-OH 2.99Å; Q96-Y100 VanDerWaalsContact O-CE2 3.29Å; Q96-Y100 WeakPolarHBondContact O-CE2 2.98Å; Q96-Y100 PolarHBondContact O-OH 2.87Å; Y100-T119 CarbonylContact O-C 3.57Å; Y100-T119 VanDerWaalsContact O-CA 3.29Å; Y100-T119 WeakPolarHBondContact O-CA 3.3Å; Y100-V120 PolarHBondContact N-O 2.04Å; Y100-V120 PolarHBondContact O-N 3.12Å; Y100-V122 HydrophobicContact CE2-CG2 4.48Å
101H96.8Very high94.3Very high59 Ų5945.6 Ų45.627%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-121.3127.4177.3-55.452.9000108.5V74 R75V74-H101 HydrophobicContact CB-CB 4.38Å; V74-H101 WeakPolarHBondContact CB-O 3.4Å; V74-H101 PolarHBondContact N-O 2.78Å; R75-H101 HydrophobicContact CG-CB 3.79Å; R75-H101 WeakPolarHBondContact CG-ND1 3.45Å; R75-H101 PolarHBondContact O-N 3.05Å
102F97Very high94.1Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-115.6143.3177.6-60.8-84.7000109.4L55 W71 E72 H73 V80 M82 V92 L95 T117 L118 V120L55-F102 HydrophobicContact CD1-CB 3.91Å; L55-F102 HydrophobicContact CD1-CD1 3.77Å; L55-F102 HydrophobicContact CD1-CD2 4.16Å; L55-F102 HydrophobicContact CD1-CE1 4.36Å; L55-F102 HydrophobicContact CD1-CG 3.66Å; L55-F102 HydrophobicContact CD2-CD2 4.29Å; W71-F102 HydrophobicContact CE3-CB 4.36Å; E72-F102 CarbonylContact O-C 3.59Å; E72-F102 VanDerWaalsContact O-CA 3.29Å; E72-F102 WeakPolarHBondContact O-CA 3.25Å; H73-F102 HydrophobicContact CB-CD1 4.09Å; H73-F102 HydrophobicContact CB-CE1 3.86Å; H73-F102 AromaticContact CD2-CE1 3.89Å; V80-F102 HydrophobicContact CG2-CE1 4.05Å; V80-F102 HydrophobicContact CG2-CZ 4.32Å; M82-F102 HydrophobicContact CE-CD1 3.82Å; M82-F102 HydrophobicContact CE-CE1 4.1Å; M82-F102 HydrophobicContact SD-CD1 4.01Å; M82-F102 HydrophobicContact SD-CE1 3.85Å; V92-F102 HydrophobicContact CB-CE1 4.46Å; V92-F102 HydrophobicContact CB-CZ 4.32Å; V92-F102 HydrophobicContact CG1-CZ 4.19Å; V92-F102 HydrophobicContact CG2-CE1 4.02Å; V92-F102 HydrophobicContact CG2-CZ 3.79Å; L95-F102 HydrophobicContact CD2-CZ 4.31Å; F102-T117 CarbonylContact O-C 3.54Å; F102-T117 WeakPolarHBondContact O-CA 3.28Å; F102-L118 HydrophobicContact CB-CD1 4.35Å; F102-L118 HydrophobicContact CB-CG 4.25Å; F102-L118 HydrophobicContact CD2-CD1 3.99Å; F102-L118 PolarHBondContact N-O 3.32Å; F102-L118 PolarHBondContact O-N 3.23Å; F102-V120 HydrophobicContact CD2-CG2 3.87Å; F102-V120 HydrophobicContact CE2-CB 4.04Å; F102-V120 HydrophobicContact CE2-CG2 3.7Å
103R97.5Very high93.9Very high94 Ų9450.2 Ų50.236%0.35528%0.281SS..EExtended strand (participates in β ladder)trans-117.8127.9174.5177.3169.662.5170.13109.2W71 E72 V74 T115 S116 T117W71-R103 WeakPolarHBondContact CA-O 3.43Å; E72-R103 VanDerWaalsContact CD-NE 3.27Å; E72-R103 HydrophobicContact CG-CB 3.93Å; E72-R103 HydrophobicContact CG-CG 4.49Å; E72-R103 WeakPolarHBondContact CG-O 3.34Å; E72-R103 PolarHBondContact N-O 2.96Å; E72-R103 PolarHBondContact O-N 2.99Å; E72-R103 IonicContact OE1-CZ 2.89Å; E72-R103 IonicContact OE1-NE 3.97Å; E72-R103 PolarHBondContact OE1-NE 3.26Å; E72-R103 IonicContact OE1-NH2 2.57Å; E72-R103 PolarHBondContact OE1-NH2 3.36Å; E72-R103 IonicContact OE2-CZ 2.77Å; E72-R103 IonicContact OE2-NE 3.04Å; E72-R103 IonicContact OE2-NH2 2.77Å; E72-R103 PolarHBondContact OE2-NH2 3Å; V74-R103 HydrophobicContact CG2-CB 3.54Å; R103-T115 HydrophobicContact CG-CG2 4.49Å; R103-S116 CarbonylContact C-O 3.41Å; R103-S116 WeakPolarHBondContact CA-O 3.41Å; R103-T117 HydrophobicContact CB-CG2 4.11Å; R103-T117 HydrophobicContact CG-CG2 4.27Å
104L97.6Very high94Very high0 Ų049.7 Ų49.70%028%0.279CS..EExtended strand (participates in β ladder)trans-93.2131.4168.3173.161.4000108.6A40 Y69 H70 W71 V106 T115 S116A40-L104 HydrophobicContact CB-CB 4.12Å; A40-L104 HydrophobicContact CB-CD2 4.48Å; Y69-L104 HydrophobicContact CD1-CD1 4Å; H70-L104 CarbonylContact O-C 3.6Å; H70-L104 WeakPolarHBondContact O-CA 3.22Å; W71-L104 HydrophobicContact CD2-CB 4.22Å; W71-L104 HydrophobicContact CD2-CD1 4.03Å; W71-L104 HydrophobicContact CE3-CB 3.9Å; W71-L104 HydrophobicContact CG-CD1 4.4Å; W71-L104 HydrophobicContact CH2-CB 3.83Å; W71-L104 HydrophobicContact CH2-CD2 4.15Å; W71-L104 HydrophobicContact CH2-CG 4.38Å; W71-L104 HydrophobicContact CZ2-CB 4.14Å; W71-L104 HydrophobicContact CZ2-CD1 3.98Å; W71-L104 HydrophobicContact CZ2-CD2 3.99Å; W71-L104 HydrophobicContact CZ2-CG 4.25Å; W71-L104 HydrophobicContact CZ3-CB 3.7Å; L104-V106 HydrophobicContact CD1-CG1 4.11Å; L104-V106 HydrophobicContact CD2-CG1 4.13Å; L104-V106 HydrophobicContact CG-CG1 4.03Å; L104-T115 CarbonylContact O-C 3.42Å; L104-T115 WeakPolarHBondContact O-CA 3.23Å; L104-S116 PolarHBondContact N-O 2.98Å; L104-S116 PolarHBondContact O-N 2.91Å
105T97.2Very high94.1Very high21 Ų2151.9 Ų51.913%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-115.7128168.2-54.40000108.9Y69 H70 S114 T115Y69-T105 CarbonylContact C-O 3.5Å; Y69-T105 WeakPolarHBondContact CA-O 3.47Å; H70-T105 PolarHBondContact N-O 3.29Å; H70-T105 PolarHBondContact O-N 3.48Å; T105-S114 WeakPolarHBondContact CA-O 3.3Å; T105-T115 HydrophobicContact CG2-CG2 4.09Å
106V96.4Very high94.3Very high0 Ų053.2 Ų53.20%030%0.296CS..EExtended strand (participates in β ladder)trans-117.9145.9174.5-62.90000110.4P36 A38 I66 F68 Y69 L104 S113 S114P36-V106 HydrophobicContact CB-CG2 3.82Å; P36-V106 HydrophobicContact CG-CG2 3.91Å; A38-V106 HydrophobicContact CB-CG2 3.69Å; I66-V106 HydrophobicContact CD1-CB 4.29Å; I66-V106 HydrophobicContact CD1-CG1 4.39Å; I66-V106 HydrophobicContact CD1-CG2 4.48Å; I66-V106 HydrophobicContact CG2-CB 3.94Å; I66-V106 HydrophobicContact CG2-CG1 4.31Å; F68-V106 VanDerWaalsContact O-CA 3.29Å; F68-V106 WeakPolarHBondContact O-CA 3.35Å; Y69-V106 HydrophobicContact CD1-CG1 3.62Å; Y69-V106 HydrophobicContact CE1-CG1 3.7Å; Y69-V106 HydrophobicContact CG-CG1 4.36Å; L104-V106 HydrophobicContact CD1-CG1 4.11Å; L104-V106 HydrophobicContact CD2-CG1 4.13Å; L104-V106 HydrophobicContact CG-CG1 4.03Å; V106-S113 VanDerWaalsContact O-CA 3.24Å; V106-S113 WeakPolarHBondContact O-CA 3.26Å; V106-S114 PolarHBondContact N-O 3.1Å; V106-S114 PolarHBondContact O-N 3.11Å
107K94Very high94.4Very high85 Ų8552 Ų5237%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-133.5146.3175.6-51.8-177.3177.5175.60112.8V67 F68 L112V67-K107 PolarHBondContact N-O 2.87Å; F68-K107 HydrophobicContact CB-CB 4.11Å; F68-K107 HydrophobicContact CD1-CB 4.46Å; F68-K107 HydrophobicContact CD1-CD 4.04Å; F68-K107 HydrophobicContact CD1-CG 4.02Å; F68-K107 PolarHBondContact N-O 2.73Å; F68-K107 PolarHBondContact O-N 3.43Å; K107-L112 WeakPolarHBondContact CA-O 3.36Å; K107-L112 WeakPolarHBondContact CB-O 3.39Å
108D92.8Very high94.6Very high3 Ų348.6 Ų48.62%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-87.4179.6172.170.411000111.8N33 V67 Q110 G111 L112N33-D108 PolarHBondContact ND2-OD2 2.96Å; V67-D108 VanDerWaalsContact CG2-C 3.48Å; V67-D108 VanDerWaalsContact CG2-O 3.24Å; V67-D108 WeakPolarHBondContact CG2-O 3.01Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 2.9Å; D108-Q110 VanDerWaalsContact OD1-C 3.31Å; D108-Q110 WeakPolarHBondContact OD1-CA 2.75Å; D108-Q110 PolarHBondContact OD1-N 3.27Å; D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.22Å; D108-L112 PolarHBondContact N-O 3.29Å; D108-L112 VanDerWaalsContact N-O 3.14Å; D108-L112 PolarHBondContact OD1-N 3.17Å; D108-L112 VanDerWaalsContact OD2-CB 3.27Å; D108-L112 WeakPolarHBondContact OD2-CB 3.36Å; D108-L112 WeakPolarHBondContact OD2-CG 3.29Å
109Q89.2Confident94.8Very high153 Ų15349.3 Ų49.372%0.71528%0.277SS*.THydrogen-bonded Turntrans-69.5-23.7-179.5-173.9171.1-16.200113.1V67 G111V67-Q109 HydrophobicContact CG1-CB 4.04Å; Q109-G111 VanDerWaalsContact C-N 3.34Å
110Q86.6Confident94.8Very high86 Ų8645.9 Ų45.940%0.40226%0.256SS..THydrogen-bonded Turntrans-88.2-4.5-179.7-66.176.52.700112.2N33 D108N33-Q110 PolarHBondContact ND2-OE1 3.45Å; D108-Q110 VanDerWaalsContact C-N 3.26Å; D108-Q110 PolarHBondContact O-N 2.9Å; D108-Q110 VanDerWaalsContact OD1-C 3.31Å; D108-Q110 WeakPolarHBondContact OD1-CA 2.75Å; D108-Q110 PolarHBondContact OD1-N 3.27Å
111G86.7Confident94.7Very high52 Ų5246.5 Ų46.554%0.53626%0.26SS..  trans88.47.6175.900000115.2D108 Q109D108-G111 PolarHBondContact O-N 3.38Å; D108-G111 PolarHBondContact OD1-N 3.22Å; Q109-G111 VanDerWaalsContact C-N 3.34Å
112L91.8Very high94.6Very high70 Ų7043.8 Ų43.837%0.36625%0.248SC..  trans-70.3147.4171.2-52.6179.2000109.8N33 P35 K107 D108N33-L112 WeakPolarHBondContact ND2-CD1 3.28Å; P35-L112 HydrophobicContact CB-CB 4.04Å; P35-L112 HydrophobicContact CB-CD1 4.23Å; K107-L112 WeakPolarHBondContact CA-O 3.36Å; K107-L112 WeakPolarHBondContact CB-O 3.39Å; D108-L112 PolarHBondContact N-O 3.29Å; D108-L112 VanDerWaalsContact N-O 3.14Å; D108-L112 PolarHBondContact OD1-N 3.17Å; D108-L112 VanDerWaalsContact OD2-CB 3.27Å; D108-L112 WeakPolarHBondContact OD2-CB 3.36Å; D108-L112 WeakPolarHBondContact OD2-CG 3.29Å
113S94Very high94.3Very high68 Ų6848.6 Ų48.648%0.47627%0.269SS..EExtended strand (participates in β ladder)trans-135.8146-17468.80000113V106V106-S113 VanDerWaalsContact O-CA 3.24Å; V106-S113 WeakPolarHBondContact O-CA 3.26Å
114S96.2Very high93.8Very high37 Ų3750.7 Ų50.726%0.25928%0.281SS..EExtended strand (participates in β ladder)trans-132157.4167.5-177.90000111.1P36 T105 V106P36-S114 WeakPolarHBondContact O-CB 3.4Å; T105-S114 WeakPolarHBondContact CA-O 3.3Å; V106-S114 PolarHBondContact N-O 3.1Å; V106-S114 PolarHBondContact O-N 3.11Å
115T96.9Very high93Very high75 Ų7555.2 Ų55.246%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-127.4147.7179.5640000112.1R103 L104 T105R103-T115 HydrophobicContact CG-CG2 4.49Å; L104-T115 CarbonylContact O-C 3.42Å; L104-T115 WeakPolarHBondContact O-CA 3.23Å; T105-T115 HydrophobicContact CG2-CG2 4.09Å
116S97Very high92.3Very high28 Ų2861.3 Ų61.320%0.19633%0.333CS..EExtended strand (participates in β ladder)trans-139.2147.1173-176.70000109.5A38 A40 R103 L104A38-S116 WeakPolarHBondContact O-CB 3.23Å; A40-S116 WeakPolarHBondContact CB-OG 3.43Å; A40-S116 PolarHBondContact N-OG 3.38Å; R103-S116 CarbonylContact C-O 3.41Å; R103-S116 WeakPolarHBondContact CA-O 3.41Å; L104-S116 PolarHBondContact N-O 2.98Å; L104-S116 PolarHBondContact O-N 2.91Å
117T96.5Very high91.7Very high94 Ų9463.3 Ų63.358%0.57734%0.344SS*.EExtended strand (participates in β ladder)trans-114.6145.6179.654.90000111.3F102 R103F102-T117 CarbonylContact O-C 3.54Å; F102-T117 WeakPolarHBondContact O-CA 3.28Å; R103-T117 HydrophobicContact CB-CG2 4.11Å; R103-T117 HydrophobicContact CG-CG2 4.27Å
118L96.3Very high91.5Very high2 Ų262.4 Ų62.41%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-129.7155.1166.674.384.5000109.8A40 L55 W71 F102 V120A40-L118 HydrophobicContact CB-CB 4.14Å; A40-L118 HydrophobicContact CB-CD2 4.14Å; A40-L118 HydrophobicContact CB-CG 4.5Å; L55-L118 HydrophobicContact CB-CD2 4.28Å; L55-L118 HydrophobicContact CD2-CD1 3.84Å; L55-L118 HydrophobicContact CD2-CD2 4.03Å; W71-L118 HydrophobicContact CH2-CD2 3.67Å; W71-L118 HydrophobicContact CZ3-CD2 3.55Å; W71-L118 HydrophobicContact CZ3-CG 4.28Å; F102-L118 HydrophobicContact CB-CD1 4.35Å; F102-L118 HydrophobicContact CB-CG 4.25Å; F102-L118 HydrophobicContact CD2-CD1 3.99Å; F102-L118 PolarHBondContact N-O 3.32Å; F102-L118 PolarHBondContact O-N 3.23Å; L118-V120 HydrophobicContact CD1-CG2 3.53Å
119T96.9Very high91.4Very high37 Ų3766.1 Ų66.123%0.22737%0.373CS..EExtended strand (participates in β ladder)trans-110.6141.7174.363.40000111.8D43 K44 Y100D43-T119 CarbonylContact C-O 3.59Å; D43-T119 WeakPolarHBondContact CA-O 3.45Å; D43-T119 WeakPolarHBondContact CB-OG1 3.2Å; D43-T119 PolarHBondContact OD1-N 3.33Å; D43-T119 PolarHBondContact OD1-OG1 2.91Å; K44-T119 PolarHBondContact N-O 3.39Å; Y100-T119 CarbonylContact O-C 3.57Å; Y100-T119 VanDerWaalsContact O-CA 3.29Å; Y100-T119 WeakPolarHBondContact O-CA 3.3Å
120V96.5Very high91.7Very high0 Ų058.9 Ų58.90%034%0.339CS..EExtended strand (participates in β ladder)trans-121.2111.8171.3-175.90000107.7K44 L46 A53 L55 L95 Y100 F102 L118K44-V120 HydrophobicContact CB-CG1 4.35Å; K44-V120 HydrophobicContact CB-CG2 4.32Å; K44-V120 CarbonylContact O-C 3.5Å; K44-V120 WeakPolarHBondContact O-CA 3.48Å; L46-V120 HydrophobicContact CD1-CG1 4.05Å; L46-V120 HydrophobicContact CG-CG1 4.24Å; A53-V120 HydrophobicContact CB-CG1 4.36Å; L55-V120 HydrophobicContact CD2-CG2 4.11Å; L95-V120 HydrophobicContact CD1-CG1 3.98Å; Y100-V120 PolarHBondContact N-O 2.04Å; Y100-V120 PolarHBondContact O-N 3.12Å; F102-V120 HydrophobicContact CD2-CG2 3.87Å; F102-V120 HydrophobicContact CE2-CB 4.04Å; F102-V120 HydrophobicContact CE2-CG2 3.7Å; L118-V120 HydrophobicContact CD1-CG2 3.53Å
121A95Very high92.2Very high12 Ų1263 Ų6310%0.09935%0.351CS..EExtended strand (participates in β ladder)trans-102.3116.3177.800000110.3K44 E45 L46 T99K44-A121 PolarHBondContact O-N 2.03Å; E45-A121 CarbonylContact C-O 3.54Å; E45-A121 VanDerWaalsContact CA-O 3.32Å; E45-A121 WeakPolarHBondContact CA-O 3.48Å; E45-A121 HydrophobicContact CG-CB 4.46Å; L46-A121 PolarHBondContact N-O 3.33Å; T99-A121 HydrophobicContact CG2-CB 4.45Å
122V94.6Very high92.7Very high3 Ų360.9 Ų60.92%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-97.3114.6172.1-1730000108.4L46 F48 L95 Q96 V97 G98 Y100L46-V122 HydrophobicContact CB-CG1 4.44Å; L46-V122 HydrophobicContact CB-CG2 4.18Å; L46-V122 HydrophobicContact CD1-CG2 4.09Å; L46-V122 WeakPolarHBondContact O-CA 3.31Å; F48-V122 HydrophobicContact CB-CG1 4.22Å; L95-V122 HydrophobicContact CB-CG2 3.8Å; L95-V122 HydrophobicContact CD1-CG2 4.39Å; Q96-V122 VanDerWaalsContact O-CB 3.3Å; Q96-V122 WeakPolarHBondContact O-CB 3.03Å; V97-V122 WeakPolarHBondContact CA-O 3.49Å; G98-V122 PolarHBondContact N-O 3.37Å; G98-V122 PolarHBondContact O-N 2.99Å; Y100-V122 HydrophobicContact CE2-CG2 4.48Å
123K91.4Very high92.9Very high101 Ų10163.9 Ų63.944%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-103.3146.7178.1-65.1176.6-173.3162.90109.5E45 L46 I47 F48E45-K123 IonicContact OE1-NZ 3.79Å; E45-K123 PolarHBondContact OE1-NZ 2.82Å; E45-K123 IonicContact OE2-NZ 3.83Å; E45-K123 PolarHBondContact OE2-NZ 3.32Å; L46-K123 PolarHBondContact O-N 3.26Å; I47-K123 WeakPolarHBondContact CA-O 3.42Å; F48-K123 PolarHBondContact N-O 3.05Å
124K85.5Confident92.9Very high138 Ų13860.6 Ų60.660%0.631%0.312SS*.EExtended strand (participates in β ladder)trans-78.9139.2165.6-167.4178.6177.6-179.50108.2V97 N126V97-K124 HydrophobicContact CG1-CB 4.47Å; V97-K124 HydrophobicContact CG2-CB 4.22Å; K124-N126 PolarHBondContact O-N 2.6Å
125E81.4Confident92.7Very high94 Ų9460.9 Ų60.944%0.43932%0.321SS..PPolyproline II helixtrans-61.8133.2169.8-166.4161.7-14000109.6I47 N127I47-E125 HydrophobicContact CG2-CB 3.95Å; E125-N127 PolarHBondContact O-N 1.99Å
126N82.1Confident92.5Very high149 Ų14958.7 Ų58.780%0.79731%0.313SS*.PPolyproline II helixtrans-71.5120.8173.6-81.8-11.5000107.9K124 Q158K124-N126 PolarHBondContact O-N 2.6Å; N126-Q158 PolarHBondContact O-NE2 3.43Å
127N84.5Confident92.5Very high43 Ų4365.8 Ų65.823%0.2334%0.336CS..  trans-124.8116.4175.8-171.479.3000108.7E125 Q158 D205 Q207E125-N127 PolarHBondContact O-N 1.99Å; N127-Q158 PolarHBondContact OD1-NE2 3.08Å; N127-Q158 PolarHBondContact OD1-OE1 3.06Å; N127-D205 PolarHBondContact ND2-OD2 3.16Å; N127-Q207 HydrophobicContact CB-CG 4.46Å; N127-Q207 VanDerWaalsContact CG-CD 3.5Å; N127-Q207 PolarHBondContact OD1-NE2 3.3Å
128S88.8Confident92.5Very high66 Ų6663.9 Ų63.946%0.46232%0.32SS..PPolyproline II helixtrans-89.4146.6168.2-54.40000108.8D157S128-D157 WeakPolarHBondContact CB-OD2 3.37Å; S128-D157 PolarHBondContact N-OD2 3.36Å; S128-D157 PolarHBondContact OG-OD2 3.48Å
129P90.9Very high92.5Very high80 Ų8067.6 Ų67.652%0.51934%0.343SS..PPolyproline II helixtrans-61.1149.6171.727.4-33.7000109.9A209P129-A209 HydrophobicContact CB-CB 4.16Å
130P96.3Very high92.4Very high2 Ų266.3 Ų66.31%0.01333%0.334CS..PPolyproline II helixtrans-61.1162.4175.227.1-35.3000110D156 I160 V203 D205 D211P130-D156 WeakPolarHBondContact CA-OD1 3.21Å; P130-D156 HydrophobicContact CB-CB 4.06Å; P130-D156 WeakPolarHBondContact CB-OD1 3.48Å; P130-I160 HydrophobicContact CB-CG1 4.28Å; P130-V203 HydrophobicContact CB-CG2 3.79Å; P130-V203 HydrophobicContact CG-CG2 3.85Å; P130-D205 HydrophobicContact CG-CB 4.39Å; P130-D211 WeakPolarHBondContact O-CB 3.41Å
131R96.3Very high92.4Very high171 Ų17169.2 Ų69.265%0.64535%0.352SS*.BIsolated β-bridgetrans-110.4109.6171.9-66.8-174.4-177-167.91.6109.1S154 T155 D211R131-S154 VanDerWaalsContact O-CA 3.25Å; R131-S154 WeakPolarHBondContact O-CA 3.4Å; R131-S154 WeakPolarHBondContact O-CB 3.28Å; R131-T155 PolarHBondContact N-O 2.86Å; R131-T155 PolarHBondContact O-N 3.38Å; R131-D211 WeakPolarHBondContact CA-OD2 3.37Å
132A97.2Very high92.3Very high8 Ų870.6 Ų70.67%0.06636%0.358CS..  trans-69.2139.4176.100000110.4V203 D211 D213A132-V203 HydrophobicContact CB-CG2 3.78Å; A132-D211 HydrophobicContact CB-CB 4.39Å; A132-D211 PolarHBondContact N-OD2 3.27Å; A132-D213 HydrophobicContact CB-CB 3.59Å; A132-D213 WeakPolarHBondContact O-CB 3.46Å
133R96.8Very high92.1Very high133 Ų13373.3 Ų73.350%0.50238%0.376SS..  trans-137.3106.3168.2-64.5-163.3-171.7-122.63.3110.3G151 R153 S154 D213R133-G151 WeakPolarHBondContact O-CA 3.35Å; R133-R153 HydrophobicContact CB-CB 3.99Å; R133-R153 WeakPolarHBondContact CD-O 3.43Å; R133-S154 PolarHBondContact N-OG 3.01Å; R133-D213 VanDerWaalsContact CA-OD2 3.31Å; R133-D213 WeakPolarHBondContact CA-OD2 3.35Å
134A94.8Very high92.1Very high0 Ų072.7 Ų72.70%038%0.377CS..  trans-89.9-2.9-170.500000114.4W165 L201 D213 A215A134-W165 HydrophobicContact CB-CH2 4.16Å; A134-W165 HydrophobicContact CB-CZ3 3.99Å; A134-W165 WeakPolarHBondContact O-CH2 3.42Å; A134-L201 HydrophobicContact CB-CB 3.71Å; A134-L201 HydrophobicContact CB-CD2 4.28Å; A134-D213 HydrophobicContact CB-CB 4.05Å; A134-D213 PolarHBondContact N-OD2 3.02Å; A134-A215 HydrophobicContact CB-CB 3.8Å; A134-A215 VanDerWaalsContact O-CB 3.29Å; A134-A215 WeakPolarHBondContact O-CB 3.43Å
135G90.8Very high92.6Very high42 Ų4268.5 Ų68.543%0.43336%0.361SS..  trans96.9-1117800000115.3H138G135-H138 PolarHBondContact O-NE2 2.85Å
136G93.3Very high93.3Very high30 Ų3066.4 Ų66.431%0.30936%0.357SS..  trans79.3-138.4171.700000114A215 T216G136-A215 CarbonylContact O-C 3.53Å; G136-A215 VanDerWaalsContact O-CA 3.28Å; G136-A215 WeakPolarHBondContact O-CA 3.44Å; G136-T216 PolarHBondContact O-N 2.79Å
137R96.6Very high93.9Very high176 Ų17660.6 Ų60.666%0.66433%0.326SS*.EExtended strand (participates in β ladder)trans-97.5129-175-176.3176.5176.2-1494112.1T216 E218R137-T216 CarbonylContact C-O 3.58Å; R137-T216 WeakPolarHBondContact CA-O 3.46Å; R137-T216 WeakPolarHBondContact CA-OG1 3.41Å; R137-T216 WeakPolarHBondContact CB-OG1 3.4Å; R137-T216 WeakPolarHBondContact CG-OG1 3.16Å; R137-E218 IonicContact CZ-OE2 3.86Å; R137-E218 IonicContact NE-OE2 2.65Å; R137-E218 IonicContact NH2-OE2 3.17Å; R137-E218 PolarHBondContact NH2-OE2 2.88Å
138H96.1Very high94.5Very high55 Ų5562.1 Ų62.126%0.25534%0.337SS..EExtended strand (participates in β ladder)trans-119.6145.2175.6-61.5-88.3000110.7G135 I147 T216 V217 E218G135-H138 PolarHBondContact O-NE2 2.85Å; H138-I147 HydrophobicContact CB-CD1 3.65Å; H138-T216 PolarHBondContact N-O 3.17Å; H138-V217 HydrophobicContact CB-CG1 4.49Å; H138-V217 HydrophobicContact CB-CG2 4.35Å; H138-V217 WeakPolarHBondContact O-CA 3.31Å; H138-E218 PolarHBondContact O-N 3.29Å
139V96.6Very high94.9Very high79 Ų7959 Ų5948%0.47932%0.315SS..EExtended strand (participates in β ladder)trans-120123.1172.7-178.10000108.1E218 Q220V139-E218 CarbonylContact C-O 3.59Å; V139-E218 WeakPolarHBondContact CA-O 3.48Å; V139-E218 HydrophobicContact CG2-CB 4.49Å; V139-Q220 HydrophobicContact CG1-CG 4.22Å
140L96.1Very high95.1Very high10 Ų1058.3 Ų58.35%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-115135.2178.9-176.868.1000108.4N144 L192 V217 E218 V219 Q220L140-N144 HydrophobicContact CD1-CB 4.01Å; L140-N144 VanDerWaalsContact CD1-ND2 3.35Å; L140-N144 WeakPolarHBondContact CD1-ND2 3.3Å; L140-N144 WeakPolarHBondContact CD2-O 3.46Å; L140-N144 VanDerWaalsContact CG-O 3.26Å; L140-N144 WeakPolarHBondContact CG-O 3.33Å; L140-L192 HydrophobicContact CD2-CB 4.35Å; L140-L192 HydrophobicContact CD2-CD1 3.57Å; L140-V217 HydrophobicContact CB-CG1 4.37Å; L140-E218 PolarHBondContact N-O 3.18Å; L140-V219 HydrophobicContact CB-CG2 4.38Å; L140-V219 HydrophobicContact CD2-CG1 4.46Å; L140-V219 HydrophobicContact CD2-CG2 4.2Å; L140-V219 CarbonylContact O-C 3.53Å; L140-V219 WeakPolarHBondContact O-CA 3.4Å; L140-Q220 PolarHBondContact O-N 3.27Å
141V95.4Very high95Very high62 Ų6258.2 Ų58.238%0.37631%0.306SS..EExtended strand (participates in β ladder)trans-116.7126.1178.6-174.70000109N144 Q220 P223V141-N144 PolarHBondContact O-N 3.07Å; V141-Q220 HydrophobicContact CG2-CB 4.31Å; V141-P223 HydrophobicContact CG1-CG 4.47Å
142L92.4Very high94.9Very high40 Ų4053.2 Ų53.221%0.20930%0.297CS..THydrogen-bonded Turntrans-59.9148.1176.1-70.7174.3000110.9N145 V219 Q220 D222L142-N145 HydrophobicContact CD2-CB 3.9Å; L142-V219 HydrophobicContact CD1-CG1 4.49Å; L142-V219 HydrophobicContact CD2-CG1 4.23Å; L142-V219 HydrophobicContact CG-CG1 4.04Å; L142-Q220 PolarHBondContact N-O 2.84Å; L142-D222 HydrophobicContact CB-CB 3.99Å; L142-D222 VanDerWaalsContact O-CA 3.31Å; L142-D222 WeakPolarHBondContact O-CA 3.48Å; L142-D222 WeakPolarHBondContact O-CB 3.5Å
143P90.3Very high94.8Very high61 Ų6161.5 Ų61.540%0.39633%0.326SS..THydrogen-bonded Turncis-83.4-2.513.738.5-43000114.9N145 Q266P143-N145 PolarHBondContact O-N 3.32Å; P143-N145 VanDerWaalsContact O-N 3.12Å; P143-Q266 HydrophobicContact CB-CG 4.23Å; P143-Q266 HydrophobicContact CG-CG 4.12Å
144N93.2Very high94.8Very high87 Ų8755.6 Ų55.647%0.46531%0.306SS..  trans-65.5116.7175.6-170.721.6000108.2L140 V141L140-N144 HydrophobicContact CD1-CB 4.01Å; L140-N144 VanDerWaalsContact CD1-ND2 3.35Å; L140-N144 WeakPolarHBondContact CD1-ND2 3.3Å; L140-N144 WeakPolarHBondContact CD2-O 3.46Å; L140-N144 VanDerWaalsContact CG-O 3.26Å; L140-N144 WeakPolarHBondContact CG-O 3.33Å; V141-N144 PolarHBondContact O-N 3.07Å
145N94.3Very high94.8Very high50 Ų5059.1 Ų59.127%0.26733%0.327SS..  trans-127.217.9-171.671.8-18.7000112.4L142 P143 T190 N191 L192L142-N145 HydrophobicContact CD2-CB 3.9Å; P143-N145 PolarHBondContact O-N 3.32Å; P143-N145 VanDerWaalsContact O-N 3.12Å; N145-T190 CarbonylContact O-C 3.54Å; N145-N191 PolarHBondContact O-N 3.49Å; N145-N191 VanDerWaalsContact O-N 3.15Å; N145-L192 HydrophobicContact CB-CB 4.48Å; N145-L192 WeakPolarHBondContact CB-O 3.46Å; N145-L192 WeakPolarHBondContact O-CB 3.34Å; N145-L192 PolarHBondContact O-N 2.78Å
146S96.1Very high95Very high50 Ų5058.8 Ų58.835%0.3532%0.316SS..  trans-124.4147.2171.860.10000110.7L189S146-L189 CarbonylContact C-O 3.56Å; S146-L189 WeakPolarHBondContact CA-O 3.39Å; S146-L189 VanDerWaalsContact CB-O 3.26Å; S146-L189 WeakPolarHBondContact CB-O 3.26Å
147I96.3Very high94.8Very high28 Ų2861.2 Ų61.214%0.14432%0.322CS..EExtended strand (participates in β ladder)trans-152.3151.3177.2-163.8172.5000109H138 L149 L189 L192 V217H138-I147 HydrophobicContact CB-CD1 3.65Å; I147-L149 HydrophobicContact CD1-CD2 4.26Å; I147-L189 HydrophobicContact CG2-CB 4.18Å; I147-L189 HydrophobicContact CG2-CD1 4.12Å; I147-L189 PolarHBondContact N-O 3.39Å; I147-L189 PolarHBondContact O-N 2.98Å; I147-L192 HydrophobicContact CB-CD1 4.41Å; I147-L192 HydrophobicContact CG2-CD1 3.67Å; I147-V217 HydrophobicContact CD1-CG1 4.05Å; I147-V217 HydrophobicContact CD1-CG2 4.47Å; I147-V217 HydrophobicContact CG2-CG1 4.33Å; I147-V217 HydrophobicContact CG2-CG2 4.49Å
148T96.4Very high94.3Very high75 Ų7556 Ų5646%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-113.7124.6170-55.10000108.7A186 L187 Q188T148-A186 HydrophobicContact CG2-CB 3.89Å; T148-L187 CarbonylContact C-O 3.55Å; T148-L187 VanDerWaalsContact CA-O 3.25Å; T148-L187 WeakPolarHBondContact CA-O 3.35Å; T148-Q188 HydrophobicContact CG2-CG 4.03Å
149L96.1Very high94Very high0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-92.8135.1171-54.1-176.5000109.2I147 W165 A186 L187 L189 F199 A215 V217I147-L149 HydrophobicContact CD1-CD2 4.26Å; L149-W165 HydrophobicContact CB-CH2 3.85Å; L149-W165 HydrophobicContact CB-CZ2 4.45Å; L149-W165 HydrophobicContact CB-CZ3 4.08Å; L149-W165 HydrophobicContact CD1-CZ3 4.17Å; L149-A186 CarbonylContact O-C 3.57Å; L149-A186 VanDerWaalsContact O-CA 3.25Å; L149-A186 WeakPolarHBondContact O-CA 3.48Å; L149-L187 HydrophobicContact CB-CB 4.28Å; L149-L187 HydrophobicContact CD1-CD2 4.12Å; L149-L187 PolarHBondContact N-O 3.39Å; L149-L187 PolarHBondContact O-N 2.81Å; L149-L189 HydrophobicContact CD1-CD1 4.49Å; L149-F199 HydrophobicContact CD1-CB 4.3Å; L149-F199 HydrophobicContact CD1-CD2 3.82Å; L149-F199 HydrophobicContact CD1-CE2 4.47Å; L149-F199 HydrophobicContact CD1-CG 4.22Å; L149-A215 HydrophobicContact CD1-CB 3.91Å; L149-V217 HydrophobicContact CD1-CG2 4.09Å; L149-V217 HydrophobicContact CD2-CG2 3.71Å; L149-V217 HydrophobicContact CG-CG2 4.41Å
150D95.1Very high93.9Very high66 Ų6659.7 Ų59.735%0.35331%0.309SS..EExtended strand (participates in β ladder)trans-107.3111.4-171.9-178.716.6000111.2S152D150-S152 WeakPolarHBondContact OD1-CB 3.18Å; D150-S152 PolarHBondContact OD1-N 2.84Å; D150-S152 PolarHBondContact OD1-OG 2.97Å; D150-S152 PolarHBondContact OD2-OG 3.39Å
151G95.1Very high93.9Very high0 Ų063.7 Ų63.70%033%0.334CS..  trans-92.4-0.4174.700000114.4R133 R153 S154 V185R133-G151 WeakPolarHBondContact O-CA 3.35Å; G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.09Å; G151-S154 WeakPolarHBondContact O-CB 3.21Å; G151-S154 PolarHBondContact O-N 3Å; G151-S154 PolarHBondContact O-OG 2.91Å; G151-V185 VanDerWaalsContact CA-O 3.23Å; G151-V185 WeakPolarHBondContact CA-O 3.48Å; G151-V185 PolarHBondContact N-O 2.88Å
152S94.7Very high93.9Very high65 Ų6563.1 Ų63.146%0.45533%0.333SS..THydrogen-bonded Turntrans-64.9-16.1-170.967.30000114.7D150 S154 V185D150-S152 WeakPolarHBondContact OD1-CB 3.18Å; D150-S152 PolarHBondContact OD1-N 2.84Å; D150-S152 PolarHBondContact OD1-OG 2.97Å; D150-S152 PolarHBondContact OD2-OG 3.39Å; S152-S154 PolarHBondContact O-N 3.43Å; S152-V185 VanDerWaalsContact CA-CG1 3.43Å
153R95.3Very high94.1Very high182 Ų18263.1 Ų63.169%0.68733%0.33SS*.THydrogen-bonded Turntrans-81.50.8176.5-58-174.4-178-160.3-0.4113.1R133 G151R133-R153 HydrophobicContact CB-CB 3.99Å; R133-R153 WeakPolarHBondContact CD-O 3.43Å; G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.09Å
154S96.6Very high94.5Very high10 Ų1062.6 Ų62.67%0.0732%0.324CS..  trans-66.7140.1173.2-55.30000109.9R131 R133 G151 S152R131-S154 VanDerWaalsContact O-CA 3.25Å; R131-S154 WeakPolarHBondContact O-CA 3.4Å; R131-S154 WeakPolarHBondContact O-CB 3.28Å; R133-S154 PolarHBondContact N-OG 3.01Å; G151-S154 WeakPolarHBondContact O-CB 3.21Å; G151-S154 PolarHBondContact O-N 3Å; G151-S154 PolarHBondContact O-OG 2.91Å; S152-S154 PolarHBondContact O-N 3.43Å
155T94.8Very high94.7Very high73 Ų7358.9 Ų58.945%0.44830%0.303SS..BIsolated β-bridgetrans-134.5147-172.255.50000111.1R131R131-T155 PolarHBondContact N-O 2.86Å; R131-T155 PolarHBondContact O-N 3.38Å
156D94.2Very high94.8Very high35 Ų3560.3 Ų60.319%0.18731%0.31CS..  trans-138.4157.8176.7-169.754.4000109.3P130 Q158 R159 I160P130-D156 WeakPolarHBondContact CA-OD1 3.21Å; P130-D156 HydrophobicContact CB-CB 4.06Å; P130-D156 WeakPolarHBondContact CB-OD1 3.48Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; D156-Q158 PolarHBondContact OD2-N 2.99Å; D156-Q158 VanDerWaalsContact OD2-N 3.15Å; D156-R159 PolarHBondContact OD2-N 2.81Å; D156-I160 HydrophobicContact CB-CD1 4.39Å; D156-I160 HydrophobicContact CB-CG1 3.68Å
157D89.6Confident94.8Very high82 Ų8261.2 Ų61.244%0.43931%0.306SS..SBendtrans-73.7-26.9174.357.7-6.6000112S128S128-D157 WeakPolarHBondContact CB-OD2 3.37Å; S128-D157 PolarHBondContact N-OD2 3.36Å; S128-D157 PolarHBondContact OG-OD2 3.48Å
158Q85.3Confident94.8Very high66 Ų6662.2 Ų62.231%0.30831%0.312SS..SBendtrans-108.9-97.6173-67.2166.534.600110.8N126 N127 D156N126-Q158 PolarHBondContact O-NE2 3.43Å; N127-Q158 PolarHBondContact OD1-NE2 3.08Å; N127-Q158 PolarHBondContact OD1-OE1 3.06Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; D156-Q158 PolarHBondContact OD2-N 2.99Å; D156-Q158 VanDerWaalsContact OD2-N 3.15Å
159R90Very high94.8Very high186 Ų18662.2 Ų62.270%0.70233%0.326SS*.  trans-152.1128.9-173.6-177.2175.1-179.4166.71.8111.1D156 V161 D205 S206D156-R159 PolarHBondContact OD2-N 2.81Å; R159-V161 PolarHBondContact O-N 3.45Å; R159-D205 WeakPolarHBondContact O-CA 3.35Å; R159-S206 PolarHBondContact O-N 2.94Å
160I94.8Very high94.7Very high25 Ų2570.7 Ų70.713%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-73.2126.3167.7-54.8174.4000109.3P130 D156 Y163 V203P130-I160 HydrophobicContact CB-CG1 4.28Å; D156-I160 HydrophobicContact CB-CD1 4.39Å; D156-I160 HydrophobicContact CB-CG1 3.68Å; I160-Y163 HydrophobicContact CB-CE2 4.22Å; I160-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I160-Y163 HydrophobicContact CG2-CD2 4.09Å; I160-Y163 HydrophobicContact CG2-CE1 4.45Å; I160-Y163 HydrophobicContact CG2-CE2 3.5Å; I160-V203 HydrophobicContact CG2-CB 4.03Å
161V95.3Very high94.7Very high95 Ų9568.2 Ų68.258%0.57635%0.354SS*.EExtended strand (participates in β ladder)trans-99.3-35-178.9172.70000111.9R159 T204R159-V161 PolarHBondContact O-N 3.45Å; V161-T204 PolarHBondContact N-O 3.11Å
162S95.9Very high94.8Very high50 Ų5070 Ų7035%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-139.9147.5-17869.50000113.2V203 T204S162-V203 WeakPolarHBondContact O-CA 3.39Å; S162-T204 PolarHBondContact N-O 2.62Å; S162-T204 PolarHBondContact O-N 2.91Å; S162-T204 VanDerWaalsContact OG-CB 3.29Å; S162-T204 WeakPolarHBondContact OG-CB 3.43Å; S162-T204 PolarHBondContact OG-OG1 3.28Å
163Y97.3Very high94.8Very high39 Ų3971.3 Ų71.315%0.15338%0.381CS..EExtended strand (participates in β ladder)trans-118.5138.5171.3-67.7-103.8000107.4I160 H183 S184 V185 L201 V203I160-Y163 HydrophobicContact CB-CE2 4.22Å; I160-Y163 WeakPolarHBondContact CD1-OH 3.45Å; I160-Y163 HydrophobicContact CG2-CD2 4.09Å; I160-Y163 HydrophobicContact CG2-CE1 4.45Å; I160-Y163 HydrophobicContact CG2-CE2 3.5Å; Y163-H183 CarbonylContact O-C 3.55Å; Y163-H183 VanDerWaalsContact O-CA 3.31Å; Y163-H183 WeakPolarHBondContact O-CA 3.46Å; Y163-S184 WeakPolarHBondContact CB-O 3.44Å; Y163-V185 HydrophobicContact CD2-CG2 4.02Å; Y163-V185 HydrophobicContact CE1-CG1 4.32Å; Y163-V185 HydrophobicContact CE1-CG2 4.4Å; Y163-V185 HydrophobicContact CE2-CG2 3.81Å; Y163-V185 HydrophobicContact CG-CG2 4.43Å; Y163-L201 HydrophobicContact CD1-CD1 4.17Å; Y163-V203 HydrophobicContact CD1-CG1 3.64Å; Y163-V203 HydrophobicContact CE1-CG1 3.71Å; Y163-V203 HydrophobicContact CG-CG1 4.38Å
164L97.8Very high94.7Very high50 Ų5064.6 Ų64.626%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-142.4117.8176.5176.265.5000109.7I166 D182 H183 R202L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 4.12Å; L164-I166 HydrophobicContact CG-CD1 4.27Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; L164-D182 CarbonylContact C-O 3.49Å; L164-D182 WeakPolarHBondContact CA-O 3.47Å; L164-H183 VanDerWaalsContact CD1-CE1 3.47Å; L164-H183 WeakPolarHBondContact CD1-CE1 3.41Å; L164-R202 HydrophobicContact CB-CB 4.37Å; L164-R202 PolarHBondContact N-O 3.48Å; L164-R202 PolarHBondContact O-N 2.8Å
165W97.6Very high94.5Very high9 Ų964.2 Ų64.23%0.03436%0.362CS..EExtended strand (participates in β ladder)trans-96.7125.3174.1-64.188.1000110.2A134 L149 D182 S184 L187 F199 H200 L201 A215A134-W165 HydrophobicContact CB-CH2 4.16Å; A134-W165 HydrophobicContact CB-CZ3 3.99Å; A134-W165 WeakPolarHBondContact O-CH2 3.42Å; L149-W165 HydrophobicContact CB-CH2 3.85Å; L149-W165 HydrophobicContact CB-CZ2 4.45Å; L149-W165 HydrophobicContact CB-CZ3 4.08Å; L149-W165 HydrophobicContact CD1-CZ3 4.17Å; W165-D182 HydrophobicContact CB-CB 4.31Å; W165-D182 PolarHBondContact N-O 3.11Å; W165-S184 PolarHBondContact NE1-O 3.25Å; W165-L187 HydrophobicContact CB-CD1 4.1Å; W165-L187 HydrophobicContact CB-CD2 4.02Å; W165-L187 HydrophobicContact CB-CG 4.45Å; W165-L187 HydrophobicContact CD2-CB 3.7Å; W165-L187 HydrophobicContact CD2-CD2 4.03Å; W165-L187 HydrophobicContact CD2-CG 4.38Å; W165-L187 HydrophobicContact CE3-CB 4.26Å; W165-L187 HydrophobicContact CE3-CD2 4Å; W165-L187 HydrophobicContact CG-CB 3.82Å; W165-L187 HydrophobicContact CG-CD1 4.22Å; W165-L187 HydrophobicContact CG-CD2 4.07Å; W165-L187 HydrophobicContact CG-CG 4.25Å; W165-L187 HydrophobicContact CZ2-CB 4.26Å; W165-F199 HydrophobicContact CE3-CB 4.15Å; W165-H200 CarbonylContact C-O 3.58Å; W165-H200 WeakPolarHBondContact CA-O 3.43Å; W165-L201 HydrophobicContact CD2-CB 4.21Å; W165-L201 HydrophobicContact CD2-CD1 3.79Å; W165-L201 HydrophobicContact CD2-CG 4.49Å; W165-L201 HydrophobicContact CE3-CB 3.86Å; W165-L201 HydrophobicContact CE3-CD1 4.33Å; W165-L201 HydrophobicContact CG-CD1 4.14Å; W165-L201 HydrophobicContact CH2-CB 4.06Å; W165-L201 HydrophobicContact CH2-CD1 4.46Å; W165-L201 HydrophobicContact CH2-CD2 3.88Å; W165-L201 HydrophobicContact CH2-CG 4.34Å; W165-L201 HydrophobicContact CZ2-CB 4.37Å; W165-L201 HydrophobicContact CZ2-CD1 3.93Å; W165-L201 HydrophobicContact CZ2-CD2 3.78Å; W165-L201 HydrophobicContact CZ2-CG 4.22Å; W165-L201 HydrophobicContact CZ3-CB 3.8Å; W165-L201 HydrophobicContact CZ3-CD2 4.48Å; W165-A215 HydrophobicContact CZ3-CB 4.24Å
166I96.8Very high94.5Very high81 Ų8164.7 Ų64.742%0.41536%0.361SS..EExtended strand (participates in β ladder)trans-118.3120.1-179.6-54.5175000108L164 F199 H200L164-I166 HydrophobicContact CD2-CD1 3.94Å; L164-I166 HydrophobicContact CD2-CG1 4.12Å; L164-I166 HydrophobicContact CG-CD1 4.27Å; L164-I166 HydrophobicContact CG-CG1 3.92Å; I166-F199 CarbonylContact O-C 3.4Å; I166-F199 WeakPolarHBondContact O-CA 3.19Å; I166-H200 HydrophobicContact CB-CB 4.44Å; I166-H200 PolarHBondContact N-O 2.82Å; I166-H200 PolarHBondContact O-N 3.31Å
167R96.7Very high94.6Very high68 Ų6865.7 Ų65.726%0.25737%0.369SS..EExtended strand (participates in β ladder)trans-71.4133.3172.4-173.6179.3-60.4175.310.7109.8P172 A173 G175 F199R167-P172 PolarHBondContact NH1-O 2.72Å; R167-A173 PolarHBondContact NH1-O 2.67Å; R167-G175 PolarHBondContact NH1-O 2.88Å; R167-G175 VanDerWaalsContact NH1-O 3.14Å; R167-G175 PolarHBondContact NH2-O 3.24Å; R167-F199 HydrophobicContact CB-CD1 3.99Å; R167-F199 HydrophobicContact CB-CE1 3.76Å; R167-F199 HydrophobicContact CG-CD1 4.33Å; R167-F199 HydrophobicContact CG-CE1 3.9Å; R167-F199 HydrophobicContact CG-CZ 4.31Å
168D96.6Very high94.9Very high50 Ų5064.2 Ų64.227%0.26736%0.36SS..  trans-67.3137.6173.8-168.8-86000111.4Q170 S171 T198 H200D168-Q170 PolarHBondContact O-N 2.99Å; D168-Q170 VanDerWaalsContact O-N 3.15Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.43Å; D168-Q170 PolarHBondContact OD1-N 2.95Å; D168-S171 VanDerWaalsContact O-CB 3.24Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.49Å; D168-S171 PolarHBondContact O-OG 2.63Å; D168-T198 HydrophobicContact CB-CG2 4.28Å; D168-T198 WeakPolarHBondContact CB-O 3.24Å; D168-T198 PolarHBondContact N-O 3.43Å; D168-H200 IonicContact OD2-CD2 3.44Å; D168-H200 IonicContact OD2-NE2 3.45Å; D168-H200 PolarHBondContact OD2-NE2 3.18Å
169G95.1Very high95.3Very high74 Ų7468.6 Ų68.676%0.76339%0.386SS*.THydrogen-bonded Turntrans-65.2-16-17700000115
170Q94.5Very high95.4Very high178 Ų17861.8 Ų61.883%0.83237%0.374SS*.THydrogen-bonded Turntrans-86.8-10.1173.5-57.1-55.4-59.500113.1D168D168-Q170 PolarHBondContact O-N 2.99Å; D168-Q170 VanDerWaalsContact O-N 3.15Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.43Å; D168-Q170 PolarHBondContact OD1-N 2.95Å
171S95.8Very high95.5Very high14 Ų1461 Ų6110%0.09837%0.37CS..SBendtrans-75154.7177.8-57.40000111.3D168 A173 T198D168-S171 VanDerWaalsContact O-CB 3.24Å; D168-S171 WeakPolarHBondContact O-CB 3.35Å; D168-S171 PolarHBondContact O-N 3.49Å; D168-S171 PolarHBondContact O-OG 2.63Å; S171-A173 PolarHBondContact O-N 3.45Å; S171-T198 PolarHBondContact OG-N 3.14Å; S171-T198 PolarHBondContact OG-O 3.15Å
172P95.8Very high95.5Very high37 Ų3758.7 Ų58.724%0.2436%0.355CS..  trans-54.3136.5173.3-23.631.8000112.4R167 A174 V193 V196 Y197R167-P172 PolarHBondContact NH1-O 2.72Å; P172-A174 VanDerWaalsContact C-N 3.32Å; P172-V193 HydrophobicContact CB-CG2 4.34Å; P172-V196 WeakPolarHBondContact CD-O 3.18Å; P172-Y197 HydrophobicContact CB-CE1 3.76Å; P172-Y197 HydrophobicContact CB-CE2 4.37Å; P172-Y197 HydrophobicContact CG-CD1 4.5Å; P172-Y197 HydrophobicContact CG-CD2 4.48Å; P172-Y197 HydrophobicContact CG-CE1 4.1Å; P172-Y197 HydrophobicContact CG-CE2 4.06Å; P172-Y197 WeakPolarHBondContact O-CE1 3.43Å
173A94.6Very high95.5Very high94 Ų9462.4 Ų62.478%0.77737%0.366SS*.SBendtrans-72-28.3177.800000112.5R167 S171R167-A173 PolarHBondContact NH1-O 2.67Å; S171-A173 PolarHBondContact O-N 3.45Å
174A93.4Very high95.5Very high41 Ų4162.6 Ų62.634%0.33937%0.374SS..  trans-67140.5174.300000110.7P172 V193 Y197P172-A174 VanDerWaalsContact C-N 3.32Å; A174-V193 HydrophobicContact CB-CB 4.49Å; A174-V193 HydrophobicContact CB-CG1 3.9Å; A174-V193 HydrophobicContact CB-CG2 3.76Å; A174-Y197 WeakPolarHBondContact O-CE1 3.49Å; A174-Y197 VanDerWaalsContact O-CZ 3.3Å; A174-Y197 PolarHBondContact O-OH 2.88Å
175G92.1Very high95.4Very high2 Ų263 Ų632%0.02138%0.378CS..  trans121.2115-17400000108.9R167 T190 N191R167-G175 PolarHBondContact NH1-O 2.88Å; R167-G175 VanDerWaalsContact NH1-O 3.14Å; R167-G175 PolarHBondContact NH2-O 3.24Å; G175-T190 CarbonylContact C-O 3.56Å; G175-T190 VanDerWaalsContact CA-O 3.24Å; G175-T190 WeakPolarHBondContact CA-O 3.45Å; G175-N191 PolarHBondContact N-O 3.31Å
176D95.1Very high95.3Very high83 Ų8364 Ų6444%0.44439%0.388SS..EExtended strand (participates in β ladder)trans-103.1134.2-169.9-57.5-46.4000109.6L189 T190 N191D176-L189 WeakPolarHBondContact O-CA 3.33Å; D176-T190 PolarHBondContact N-O 3.43Å; D176-T190 PolarHBondContact O-N 2.95Å; D176-N191 VanDerWaalsContact OD2-CB 3.31Å; D176-N191 WeakPolarHBondContact OD2-CB 3.23Å; D176-N191 PolarHBondContact OD2-ND2 2.91Å
177V96.4Very high95.3Very high56 Ų5660.2 Ų60.234%0.33937%0.368SS..EExtended strand (participates in β ladder)trans-80.6125.8172.51800000108S181 D182 L187 L189V177-S181 WeakPolarHBondContact CG1-OG 3.24Å; V177-D182 HydrophobicContact CG1-CB 4.05Å; V177-L187 HydrophobicContact CG1-CD1 3.94Å; V177-L187 HydrophobicContact CG2-CD1 4.27Å; V177-L189 HydrophobicContact CG2-CD2 4Å
178I95.8Very high95.3Very high51 Ų5160.7 Ų60.726%0.26237%0.374SS..SBendtrans-87.5138.7-179.1-47.2171.9000109.3G180 S181 Q188 T190I178-G180 PolarHBondContact O-N 3.35Å; I178-S181 WeakPolarHBondContact O-CB 3.33Å; I178-S181 PolarHBondContact O-N 2.79Å; I178-S181 PolarHBondContact O-OG 2.94Å; I178-Q188 HydrophobicContact CB-CB 4.16Å; I178-Q188 HydrophobicContact CD1-CB 4.02Å; I178-Q188 HydrophobicContact CG1-CB 4.33Å; I178-Q188 PolarHBondContact N-O 3.45Å; I178-T190 HydrophobicContact CD1-CG2 3.31Å; I178-T190 HydrophobicContact CG1-CG2 3.96Å
179D93.1Very high95.3Very high157 Ų15758.4 Ų58.484%0.8436%0.361SS*.THydrogen-bonded Turntrans50.828.8169.3-62.8-23.4000115.8S181D179-S181 PolarHBondContact O-N 2.99Å
180G93Very high95.4Very high44 Ų4457.1 Ų57.145%0.45434%0.339SS..THydrogen-bonded Turntrans62.429.3-176.800000113.2I178 D182 H183I178-G180 PolarHBondContact O-N 3.35Å; G180-D182 VanDerWaalsContact CA-OD1 3.25Å; G180-D182 WeakPolarHBondContact CA-OD1 3.32Å; G180-D182 PolarHBondContact O-N 3.44Å; G180-D182 VanDerWaalsContact O-OD1 3.12Å; G180-H183 PolarHBondContact O-N 2.65Å
181S96.2Very high95.4Very high8 Ų852.4 Ų52.46%0.05632%0.319CS..G310 helixtrans-64.2-7.1-179.355.80000114.2V177 I178 D179 H183 S184 Q188V177-S181 WeakPolarHBondContact CG1-OG 3.24Å; I178-S181 WeakPolarHBondContact O-CB 3.33Å; I178-S181 PolarHBondContact O-N 2.79Å; I178-S181 PolarHBondContact O-OG 2.94Å; D179-S181 PolarHBondContact O-N 2.99Å; S181-H183 PolarHBondContact O-N 3.47Å; S181-S184 WeakPolarHBondContact CA-OG 3.19Å; S181-S184 WeakPolarHBondContact O-CB 3.36Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 2.95Å; S181-Q188 PolarHBondContact OG-N 3.47Å; S181-Q188 PolarHBondContact OG-O 3.15Å
182D96.4Very high95.4Very high46 Ų4652 Ų5225%0.24632%0.316CS..G310 helixtrans-64.6-18.4170.658.6-45.4000113.9L164 W165 V177 G180 L187L164-D182 CarbonylContact C-O 3.49Å; L164-D182 WeakPolarHBondContact CA-O 3.47Å; W165-D182 HydrophobicContact CB-CB 4.31Å; W165-D182 PolarHBondContact N-O 3.11Å; V177-D182 HydrophobicContact CG1-CB 4.05Å; G180-D182 VanDerWaalsContact CA-OD1 3.25Å; G180-D182 WeakPolarHBondContact CA-OD1 3.32Å; G180-D182 PolarHBondContact O-N 3.44Å; G180-D182 VanDerWaalsContact O-OD1 3.12Å; D182-L187 HydrophobicContact CB-CD1 4.12Å
183H96.1Very high95.3Very high128 Ų12853 Ų5359%0.59332%0.322SS*.G310 helixtrans-101.39.2171.3-69-80.1000113.9Y163 L164 G180 S181Y163-H183 CarbonylContact O-C 3.55Å; Y163-H183 VanDerWaalsContact O-CA 3.31Å; Y163-H183 WeakPolarHBondContact O-CA 3.46Å; L164-H183 VanDerWaalsContact CD1-CE1 3.47Å; L164-H183 WeakPolarHBondContact CD1-CE1 3.41Å; G180-H183 PolarHBondContact O-N 2.65Å; S181-H183 PolarHBondContact O-N 3.47Å
184S96.1Very high95.3Very high44 Ų4453.8 Ų53.831%0.30831%0.309SS..SBendtrans-111.1170-173.983.70000112.5Y163 W165 S181 A186Y163-S184 WeakPolarHBondContact CB-O 3.44Å; W165-S184 PolarHBondContact NE1-O 3.25Å; S181-S184 WeakPolarHBondContact CA-OG 3.19Å; S181-S184 WeakPolarHBondContact O-CB 3.36Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 2.95Å; S184-A186 PolarHBondContact O-N 3.01Å; S184-A186 PolarHBondContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 2.82Å
185V95.7Very high95.4Very high59 Ų5953 Ų5336%0.35830%0.304SS..SBendtrans-61.8-32.9177.1-176.70000111.7G151 S152 Y163G151-V185 VanDerWaalsContact CA-O 3.23Å; G151-V185 WeakPolarHBondContact CA-O 3.48Å; G151-V185 PolarHBondContact N-O 2.88Å; S152-V185 VanDerWaalsContact CA-CG1 3.43Å; Y163-V185 HydrophobicContact CD2-CG2 4.02Å; Y163-V185 HydrophobicContact CE1-CG1 4.32Å; Y163-V185 HydrophobicContact CE1-CG2 4.4Å; Y163-V185 HydrophobicContact CE2-CG2 3.81Å; Y163-V185 HydrophobicContact CG-CG2 4.43Å
186A95.9Very high95.6Very high29 Ų2956.8 Ų56.824%0.2433%0.327CS..EExtended strand (participates in β ladder)trans-124111.8-175.800000110.8T148 L149 S184 Q188T148-A186 HydrophobicContact CG2-CB 3.89Å; L149-A186 CarbonylContact O-C 3.57Å; L149-A186 VanDerWaalsContact O-CA 3.25Å; L149-A186 WeakPolarHBondContact O-CA 3.48Å; S184-A186 PolarHBondContact O-N 3.01Å; S184-A186 PolarHBondContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 2.82Å; A186-Q188 PolarHBondContact O-N 3.01Å
187L96.9Very high95.7Very high1 Ų152.8 Ų52.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-76.9121.5178.4177.568.7000110.1T148 L149 W165 V177 D182 L189 F199T148-L187 CarbonylContact C-O 3.55Å; T148-L187 VanDerWaalsContact CA-O 3.25Å; T148-L187 WeakPolarHBondContact CA-O 3.35Å; L149-L187 HydrophobicContact CB-CB 4.28Å; L149-L187 HydrophobicContact CD1-CD2 4.12Å; L149-L187 PolarHBondContact N-O 3.39Å; L149-L187 PolarHBondContact O-N 2.81Å; W165-L187 HydrophobicContact CB-CD1 4.1Å; W165-L187 HydrophobicContact CB-CD2 4.02Å; W165-L187 HydrophobicContact CB-CG 4.45Å; W165-L187 HydrophobicContact CD2-CB 3.7Å; W165-L187 HydrophobicContact CD2-CD2 4.03Å; W165-L187 HydrophobicContact CD2-CG 4.38Å; W165-L187 HydrophobicContact CE3-CB 4.26Å; W165-L187 HydrophobicContact CE3-CD2 4Å; W165-L187 HydrophobicContact CG-CB 3.82Å; W165-L187 HydrophobicContact CG-CD1 4.22Å; W165-L187 HydrophobicContact CG-CD2 4.07Å; W165-L187 HydrophobicContact CG-CG 4.25Å; W165-L187 HydrophobicContact CZ2-CB 4.26Å; V177-L187 HydrophobicContact CG1-CD1 3.94Å; V177-L187 HydrophobicContact CG2-CD1 4.27Å; D182-L187 HydrophobicContact CB-CD1 4.12Å; L187-L189 HydrophobicContact CD1-CD2 4.42Å; L187-L189 HydrophobicContact CD2-CD1 4.05Å; L187-L189 HydrophobicContact CD2-CD2 4.19Å; L187-L189 HydrophobicContact CD2-CG 4.15Å; L187-L189 HydrophobicContact CG-CD1 4.46Å; L187-L189 HydrophobicContact CG-CD2 4.22Å; L187-L189 HydrophobicContact CG-CG 4.08Å; L187-F199 HydrophobicContact CD2-CD1 3.62Å; L187-F199 HydrophobicContact CD2-CD2 4.49Å; L187-F199 HydrophobicContact CD2-CE1 3.82Å; L187-F199 HydrophobicContact CD2-CG 3.99Å; L187-F199 HydrophobicContact CD2-CZ 4.35Å
188Q96.8Very high95.8Very high79 Ų7951.9 Ų51.937%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-105122.4177.6-61.3-172.11.100110.6T148 I178 S181 A186T148-Q188 HydrophobicContact CG2-CG 4.03Å; I178-Q188 HydrophobicContact CB-CB 4.16Å; I178-Q188 HydrophobicContact CD1-CB 4.02Å; I178-Q188 HydrophobicContact CG1-CB 4.33Å; I178-Q188 PolarHBondContact N-O 3.45Å; S181-Q188 PolarHBondContact OG-N 3.47Å; S181-Q188 PolarHBondContact OG-O 3.15Å; A186-Q188 PolarHBondContact O-N 3.01Å
189L96.3Very high95.8Very high2 Ų249.6 Ų49.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-118.2140.1-178.4-62.6166.1000110.2S146 I147 L149 D176 V177 L187 L192 F199S146-L189 CarbonylContact C-O 3.56Å; S146-L189 WeakPolarHBondContact CA-O 3.39Å; S146-L189 VanDerWaalsContact CB-O 3.26Å; S146-L189 WeakPolarHBondContact CB-O 3.26Å; I147-L189 HydrophobicContact CG2-CB 4.18Å; I147-L189 HydrophobicContact CG2-CD1 4.12Å; I147-L189 PolarHBondContact N-O 3.39Å; I147-L189 PolarHBondContact O-N 2.98Å; L149-L189 HydrophobicContact CD1-CD1 4.49Å; D176-L189 WeakPolarHBondContact O-CA 3.33Å; V177-L189 HydrophobicContact CG2-CD2 4Å; L187-L189 HydrophobicContact CD1-CD2 4.42Å; L187-L189 HydrophobicContact CD2-CD1 4.05Å; L187-L189 HydrophobicContact CD2-CD2 4.19Å; L187-L189 HydrophobicContact CD2-CG 4.15Å; L187-L189 HydrophobicContact CG-CD1 4.46Å; L187-L189 HydrophobicContact CG-CD2 4.22Å; L187-L189 HydrophobicContact CG-CG 4.08Å; L189-L192 HydrophobicContact CB-CD1 4.27Å; L189-L192 HydrophobicContact CB-CD2 4.31Å; L189-L192 HydrophobicContact CB-CG 4.4Å; L189-F199 HydrophobicContact CD1-CD2 4.29Å; L189-F199 HydrophobicContact CD1-CE1 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.41Å; L189-F199 VanDerWaalsContact CD1-CE2 3.41Å; L189-F199 HydrophobicContact CD1-CZ 3.38Å; L189-F199 HydrophobicContact CD2-CE1 4.13Å; L189-F199 HydrophobicContact CD2-CZ 3.79Å; L189-F199 HydrophobicContact CG-CZ 4.23Å
190T96.7Very high96Very high47 Ų4744.9 Ų44.929%0.28826%0.261SS..EExtended strand (participates in β ladder)trans-131174.1169.5490000110.8N145 G175 D176 I178 L192N145-T190 CarbonylContact O-C 3.54Å; G175-T190 CarbonylContact C-O 3.56Å; G175-T190 VanDerWaalsContact CA-O 3.24Å; G175-T190 WeakPolarHBondContact CA-O 3.45Å; D176-T190 PolarHBondContact N-O 3.43Å; D176-T190 PolarHBondContact O-N 2.95Å; I178-T190 HydrophobicContact CD1-CG2 3.31Å; I178-T190 HydrophobicContact CG1-CG2 3.96Å; T190-L192 PolarHBondContact O-N 2.91Å; T190-L192 VanDerWaalsContact O-N 3.15Å
191N94.6Very high96.3Very high78 Ų7842.8 Ų42.842%0.41724%0.24SC..SBendtrans59.130.5174.2-162.325.4000113.3N145 G175 D176N145-N191 PolarHBondContact O-N 3.49Å; N145-N191 VanDerWaalsContact O-N 3.15Å; G175-N191 PolarHBondContact N-O 3.31Å; D176-N191 VanDerWaalsContact OD2-CB 3.31Å; D176-N191 WeakPolarHBondContact OD2-CB 3.23Å; D176-N191 PolarHBondContact OD2-ND2 2.91Å
192L95.8Very high96.3Very high5 Ų547.6 Ų47.63%0.02626%0.256CS..  trans-68.1140.9176.4-65.9171000110.6L140 N145 I147 L189 T190 Y197 V219L140-L192 HydrophobicContact CD2-CB 4.35Å; L140-L192 HydrophobicContact CD2-CD1 3.57Å; N145-L192 HydrophobicContact CB-CB 4.48Å; N145-L192 WeakPolarHBondContact CB-O 3.46Å; N145-L192 WeakPolarHBondContact O-CB 3.34Å; N145-L192 PolarHBondContact O-N 2.78Å; I147-L192 HydrophobicContact CB-CD1 4.41Å; I147-L192 HydrophobicContact CG2-CD1 3.67Å; L189-L192 HydrophobicContact CB-CD1 4.27Å; L189-L192 HydrophobicContact CB-CD2 4.31Å; L189-L192 HydrophobicContact CB-CG 4.4Å; T190-L192 PolarHBondContact O-N 2.91Å; T190-L192 VanDerWaalsContact O-N 3.15Å; L192-Y197 HydrophobicContact CD2-CD1 4.19Å; L192-Y197 HydrophobicContact CD2-CD2 4.22Å; L192-Y197 HydrophobicContact CD2-CE1 3.78Å; L192-Y197 HydrophobicContact CD2-CE2 3.84Å; L192-Y197 HydrophobicContact CD2-CG 4.38Å; L192-V219 HydrophobicContact CB-CG2 4.16Å; L192-V219 HydrophobicContact CD1-CG2 4.46Å
193V94.8Very high96.4Very high60 Ų6045.4 Ų45.436%0.36425%0.245SC..  trans-113.2166.1175.8-59.10000110P172 A174 G195 Y197 V219P172-V193 HydrophobicContact CB-CG2 4.34Å; A174-V193 HydrophobicContact CB-CB 4.49Å; A174-V193 HydrophobicContact CB-CG1 3.9Å; A174-V193 HydrophobicContact CB-CG2 3.76Å; V193-G195 PolarHBondContact O-N 3.38Å; V193-Y197 WeakPolarHBondContact CG2-OH 3.34Å; V193-Y197 PolarHBondContact N-OH 3.34Å; V193-Y197 VanDerWaalsContact N-OH 3.1Å; V193-Y197 WeakPolarHBondContact O-CE2 3.43Å; V193-V219 VanDerWaalsContact O-CB 3.23Å; V193-V219 WeakPolarHBondContact O-CB 3.45Å; V193-V219 WeakPolarHBondContact O-CG1 3.49Å
194E93.9Very high96.3Very high110 Ų11040.7 Ų40.751%0.51423%0.225SC..SBendtrans-54128.6175.9-176.3177.4179.100111V219E194-V219 WeakPolarHBondContact CA-O 3.38Å
195G95.6Very high96.3Very high23 Ų2338.8 Ų38.824%0.23721%0.212CC..EExtended strand (participates in β ladder)trans151.1178.3-175.100000113.3V193 V219V193-G195 PolarHBondContact O-N 3.38Å; G195-V219 PolarHBondContact N-O 3Å; G195-V219 VanDerWaalsContact N-O 3.13Å; G195-V219 PolarHBondContact O-N 2.75Å
196V96.8Very high96Very high82 Ų8239.5 Ų39.550%0.49722%0.219SC..EExtended strand (participates in β ladder)trans-110.6121.1176.7-177.80000108.8P172 V217 E218P172-V196 WeakPolarHBondContact CD-O 3.18Å; V196-V217 WeakPolarHBondContact CA-O 3.42Å; V196-E218 HydrophobicContact CG2-CG 4.27Å
197Y97.3Very high95.5Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-102.1138.2175.7-63.9-101.1000109.9P172 A174 L192 V193 F199 T216 V217 V219P172-Y197 HydrophobicContact CB-CE1 3.76Å; P172-Y197 HydrophobicContact CB-CE2 4.37Å; P172-Y197 HydrophobicContact CG-CD1 4.5Å; P172-Y197 HydrophobicContact CG-CD2 4.48Å; P172-Y197 HydrophobicContact CG-CE1 4.1Å; P172-Y197 HydrophobicContact CG-CE2 4.06Å; P172-Y197 WeakPolarHBondContact O-CE1 3.43Å; A174-Y197 WeakPolarHBondContact O-CE1 3.49Å; A174-Y197 VanDerWaalsContact O-CZ 3.3Å; A174-Y197 PolarHBondContact O-OH 2.88Å; L192-Y197 HydrophobicContact CD2-CD1 4.19Å; L192-Y197 HydrophobicContact CD2-CD2 4.22Å; L192-Y197 HydrophobicContact CD2-CE1 3.78Å; L192-Y197 HydrophobicContact CD2-CE2 3.84Å; L192-Y197 HydrophobicContact CD2-CG 4.38Å; V193-Y197 WeakPolarHBondContact CG2-OH 3.34Å; V193-Y197 PolarHBondContact N-OH 3.34Å; V193-Y197 VanDerWaalsContact N-OH 3.1Å; V193-Y197 WeakPolarHBondContact O-CE2 3.43Å; Y197-F199 HydrophobicContact CD1-CE2 4.3Å; Y197-F199 HydrophobicContact CD1-CZ 4.33Å; Y197-F199 HydrophobicContact CG-CE2 4.34Å; Y197-T216 CarbonylContact O-C 3.47Å; Y197-T216 VanDerWaalsContact O-CA 3.26Å; Y197-T216 WeakPolarHBondContact O-CA 3.37Å; Y197-V217 PolarHBondContact N-O 3.29Å; Y197-V217 PolarHBondContact O-N 2.81Å; Y197-V219 HydrophobicContact CD2-CG2 3.87Å; Y197-V219 HydrophobicContact CE2-CG2 3.7Å
198T97.2Very high95.1Very high36 Ų3644.7 Ų44.722%0.22125%0.253CS..EExtended strand (participates in β ladder)trans-123.3129.3173.2-53.20000108.6D168 S171 A215 T216D168-T198 HydrophobicContact CB-CG2 4.28Å; D168-T198 WeakPolarHBondContact CB-O 3.24Å; D168-T198 PolarHBondContact N-O 3.43Å; S171-T198 PolarHBondContact OG-N 3.14Å; S171-T198 PolarHBondContact OG-O 3.15Å; T198-A215 WeakPolarHBondContact CA-O 3.07Å; T198-T216 HydrophobicContact CG2-CG2 4.21Å
199F97.2Very high94.9Very high3 Ų342.4 Ų42.41%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-124.3136.4178.1-67.4-88.2000109.6L149 W165 I166 R167 L187 L189 Y197 T214 A215L149-F199 HydrophobicContact CD1-CB 4.3Å; L149-F199 HydrophobicContact CD1-CD2 3.82Å; L149-F199 HydrophobicContact CD1-CE2 4.47Å; L149-F199 HydrophobicContact CD1-CG 4.22Å; W165-F199 HydrophobicContact CE3-CB 4.15Å; I166-F199 CarbonylContact O-C 3.4Å; I166-F199 WeakPolarHBondContact O-CA 3.19Å; R167-F199 HydrophobicContact CB-CD1 3.99Å; R167-F199 HydrophobicContact CB-CE1 3.76Å; R167-F199 HydrophobicContact CG-CD1 4.33Å; R167-F199 HydrophobicContact CG-CE1 3.9Å; R167-F199 HydrophobicContact CG-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CD1 3.62Å; L187-F199 HydrophobicContact CD2-CD2 4.49Å; L187-F199 HydrophobicContact CD2-CE1 3.82Å; L187-F199 HydrophobicContact CD2-CG 3.99Å; L187-F199 HydrophobicContact CD2-CZ 4.35Å; L189-F199 HydrophobicContact CD1-CD2 4.29Å; L189-F199 HydrophobicContact CD1-CE1 4.22Å; L189-F199 HydrophobicContact CD1-CE2 3.41Å; L189-F199 VanDerWaalsContact CD1-CE2 3.41Å; L189-F199 HydrophobicContact CD1-CZ 3.38Å; L189-F199 HydrophobicContact CD2-CE1 4.13Å; L189-F199 HydrophobicContact CD2-CZ 3.79Å; L189-F199 HydrophobicContact CG-CZ 4.23Å; Y197-F199 HydrophobicContact CD1-CE2 4.3Å; Y197-F199 HydrophobicContact CD1-CZ 4.33Å; Y197-F199 HydrophobicContact CG-CE2 4.34Å; F199-T214 CarbonylContact O-C 3.28Å; F199-T214 WeakPolarHBondContact O-CA 3.42Å; F199-A215 PolarHBondContact N-O 2.87Å; F199-A215 PolarHBondContact O-N 3.31Å
200H97.3Very high94.9Very high58 Ų5844.2 Ų44.227%0.26926%0.261SS..EExtended strand (participates in β ladder)trans-103.2118.1174.9-57.3-77000108.4W165 I166 D168 D213 T214W165-H200 CarbonylContact C-O 3.58Å; W165-H200 WeakPolarHBondContact CA-O 3.43Å; I166-H200 HydrophobicContact CB-CB 4.44Å; I166-H200 PolarHBondContact N-O 2.82Å; I166-H200 PolarHBondContact O-N 3.31Å; D168-H200 IonicContact OD2-CD2 3.44Å; D168-H200 IonicContact OD2-NE2 3.45Å; D168-H200 PolarHBondContact OD2-NE2 3.18Å; H200-D213 CarbonylContact C-O 3.6Å; H200-D213 WeakPolarHBondContact CA-O 3.49Å; H200-T214 WeakPolarHBondContact ND1-CG2 3.42Å
201L97.9Very high94.9Very high0 Ų044.8 Ų44.80%026%0.262CS..EExtended strand (participates in β ladder)trans-91.3115.6172175.255.8000109A134 Y163 W165 V203 T212 D213A134-L201 HydrophobicContact CB-CB 3.71Å; A134-L201 HydrophobicContact CB-CD2 4.28Å; Y163-L201 HydrophobicContact CD1-CD1 4.17Å; W165-L201 HydrophobicContact CD2-CB 4.21Å; W165-L201 HydrophobicContact CD2-CD1 3.79Å; W165-L201 HydrophobicContact CD2-CG 4.49Å; W165-L201 HydrophobicContact CE3-CB 3.86Å; W165-L201 HydrophobicContact CE3-CD1 4.33Å; W165-L201 HydrophobicContact CG-CD1 4.14Å; W165-L201 HydrophobicContact CH2-CB 4.06Å; W165-L201 HydrophobicContact CH2-CD1 4.46Å; W165-L201 HydrophobicContact CH2-CD2 3.88Å; W165-L201 HydrophobicContact CH2-CG 4.34Å; W165-L201 HydrophobicContact CZ2-CB 4.37Å; W165-L201 HydrophobicContact CZ2-CD1 3.93Å; W165-L201 HydrophobicContact CZ2-CD2 3.78Å; W165-L201 HydrophobicContact CZ2-CG 4.22Å; W165-L201 HydrophobicContact CZ3-CB 3.8Å; W165-L201 HydrophobicContact CZ3-CD2 4.48Å; L201-V203 HydrophobicContact CD1-CG1 4.23Å; L201-V203 HydrophobicContact CD2-CG1 4.25Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; L201-T212 CarbonylContact O-C 3.53Å; L201-T212 VanDerWaalsContact O-CA 3.23Å; L201-T212 WeakPolarHBondContact O-CA 3.26Å; L201-D213 PolarHBondContact N-O 3.43Å; L201-D213 PolarHBondContact O-N 2.89Å
202R97.4Very high95Very high109 Ų10945.2 Ų45.241%0.41127%0.268SS..EExtended strand (participates in β ladder)trans-100125.5168.6-173176.2-174.6-175-0.3109.8L164 S210 D211 T212L164-R202 HydrophobicContact CB-CB 4.37Å; L164-R202 PolarHBondContact N-O 3.48Å; L164-R202 PolarHBondContact O-N 2.8Å; R202-S210 PolarHBondContact NE-OG 2.96Å; R202-S210 PolarHBondContact NH2-OG 3.39Å; R202-D211 WeakPolarHBondContact CA-O 3.28Å; R202-T212 HydrophobicContact CB-CG2 3.9Å; R202-T212 HydrophobicContact CG-CG2 3.88Å
203V97.3Very high95.1Very high0 Ų047.6 Ų47.60%028%0.28CS..EExtended strand (participates in β ladder)trans-113.1140.4172.3-62.30000109.5P130 A132 I160 S162 Y163 L201 S210 D211P130-V203 HydrophobicContact CB-CG2 3.79Å; P130-V203 HydrophobicContact CG-CG2 3.85Å; A132-V203 HydrophobicContact CB-CG2 3.78Å; I160-V203 HydrophobicContact CG2-CB 4.03Å; S162-V203 WeakPolarHBondContact O-CA 3.39Å; Y163-V203 HydrophobicContact CD1-CG1 3.64Å; Y163-V203 HydrophobicContact CE1-CG1 3.71Å; Y163-V203 HydrophobicContact CG-CG1 4.38Å; L201-V203 HydrophobicContact CD1-CG1 4.23Å; L201-V203 HydrophobicContact CD2-CG1 4.25Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; V203-S210 WeakPolarHBondContact O-CA 3.42Å; V203-S210 WeakPolarHBondContact O-CB 3.42Å; V203-D211 PolarHBondContact N-O 3.27Å; V203-D211 PolarHBondContact O-N 3.08Å; V203-D211 VanDerWaalsContact O-N 3.08Å
204T95.8Very high95.2Very high29 Ų2948 Ų4818%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-127.5136.7-179.8-43.10000110.2V161 S162 A209V161-T204 PolarHBondContact N-O 3.11Å; S162-T204 PolarHBondContact N-O 2.62Å; S162-T204 PolarHBondContact O-N 2.91Å; S162-T204 VanDerWaalsContact OG-CB 3.29Å; S162-T204 WeakPolarHBondContact OG-CB 3.43Å; S162-T204 PolarHBondContact OG-OG1 3.28Å; T204-A209 WeakPolarHBondContact CA-O 3.26Å; T204-A209 WeakPolarHBondContact CG2-O 3.29Å
205D94.7Very high95.4Very high5 Ų542.8 Ų42.83%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-82.8-177.3176.769.620.7000112.6N127 P130 R159 Q207 G208 A209N127-D205 PolarHBondContact ND2-OD2 3.16Å; P130-D205 HydrophobicContact CG-CB 4.39Å; R159-D205 WeakPolarHBondContact O-CA 3.35Å; D205-Q207 VanDerWaalsContact C-N 3.31Å; D205-Q207 VanDerWaalsContact OD1-C 3.27Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.38Å; D205-Q207 PolarHBondContact OD1-N 2.9Å; D205-G208 PolarHBondContact OD1-N 2.96Å; D205-A209 PolarHBondContact N-O 3.33Å; D205-A209 PolarHBondContact OD1-N 3.42Å; D205-A209 WeakPolarHBondContact OD2-CB 3.39Å
206S89.8Confident95.5Very high73 Ų7343.6 Ų43.651%0.5126%0.259SS..THydrogen-bonded Turntrans-72.9-16.917643.20000115.2R159R159-S206 PolarHBondContact O-N 2.94Å
207Q86.4Confident95.5Very high83 Ų8339.7 Ų39.739%0.38824%0.236SC..THydrogen-bonded Turntrans-97.1-0.1179.1-55.1-160.727.500112.7N127 D205N127-Q207 HydrophobicContact CB-CG 4.46Å; N127-Q207 VanDerWaalsContact CG-CD 3.5Å; N127-Q207 PolarHBondContact OD1-NE2 3.3Å; D205-Q207 VanDerWaalsContact C-N 3.31Å; D205-Q207 VanDerWaalsContact OD1-C 3.27Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.38Å; D205-Q207 PolarHBondContact OD1-N 2.9Å
208G88.6Confident95.5Very high56 Ų5642 Ų4258%0.57725%0.246SC*.SBendtrans87.8517900000114.9D205D205-G208 PolarHBondContact OD1-N 2.96Å
209A92.3Very high95.5Very high31 Ų3140.4 Ų40.426%0.25624%0.237SC..  trans-76.7147171.700000110.1P129 T204 D205P129-A209 HydrophobicContact CB-CB 4.16Å; T204-A209 WeakPolarHBondContact CA-O 3.26Å; T204-A209 WeakPolarHBondContact CG2-O 3.29Å; D205-A209 PolarHBondContact N-O 3.33Å; D205-A209 PolarHBondContact OD1-N 3.42Å; D205-A209 WeakPolarHBondContact OD2-CB 3.39Å
210S95.8Very high95.5Very high41 Ų4143.9 Ų43.929%0.28725%0.253SS..EExtended strand (participates in β ladder)trans-142.5151.7-175.5680000112.2R202 V203R202-S210 PolarHBondContact NE-OG 2.96Å; R202-S210 PolarHBondContact NH2-OG 3.39Å; V203-S210 WeakPolarHBondContact O-CA 3.42Å; V203-S210 WeakPolarHBondContact O-CB 3.42Å
211D97Very high95.2Very high58 Ų5843.9 Ų43.931%0.3126%0.258SS..EExtended strand (participates in β ladder)trans-132.7159.9173.5-177.241.6000110.6P130 R131 A132 R202 V203P130-D211 WeakPolarHBondContact O-CB 3.41Å; R131-D211 WeakPolarHBondContact CA-OD2 3.37Å; A132-D211 HydrophobicContact CB-CB 4.39Å; A132-D211 PolarHBondContact N-OD2 3.27Å; R202-D211 WeakPolarHBondContact CA-O 3.28Å; V203-D211 PolarHBondContact N-O 3.27Å; V203-D211 PolarHBondContact O-N 3.08Å; V203-D211 VanDerWaalsContact O-N 3.08Å
212T97.4Very high94.8Very high87 Ų8744.6 Ų44.653%0.53426%0.262SS..EExtended strand (participates in β ladder)trans-133131.6-175.655.70000112.2L201 R202L201-T212 CarbonylContact O-C 3.53Å; L201-T212 VanDerWaalsContact O-CA 3.23Å; L201-T212 WeakPolarHBondContact O-CA 3.26Å; R202-T212 HydrophobicContact CB-CG2 3.9Å; R202-T212 HydrophobicContact CG-CG2 3.88Å
213D97.7Very high94.3Very high55 Ų5544.3 Ų44.329%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-127.2159.3172.7-173.830.3000111A132 R133 A134 H200 L201A132-D213 HydrophobicContact CB-CB 3.59Å; A132-D213 WeakPolarHBondContact O-CB 3.46Å; R133-D213 VanDerWaalsContact CA-OD2 3.31Å; R133-D213 WeakPolarHBondContact CA-OD2 3.35Å; A134-D213 HydrophobicContact CB-CB 4.05Å; A134-D213 PolarHBondContact N-OD2 3.02Å; H200-D213 CarbonylContact C-O 3.6Å; H200-D213 WeakPolarHBondContact CA-O 3.49Å; L201-D213 PolarHBondContact N-O 3.43Å; L201-D213 PolarHBondContact O-N 2.89Å
214T97.2Very high93.8Very high69 Ų6948.8 Ų48.842%0.42329%0.291SS..EExtended strand (participates in β ladder)trans-113.2135.9-173660000112.2F199 H200F199-T214 CarbonylContact O-C 3.28Å; F199-T214 WeakPolarHBondContact O-CA 3.42Å; H200-T214 WeakPolarHBondContact ND1-CG2 3.42Å
215A97.3Very high93.3Very high0 Ų052.3 Ų52.30%030%0.304CS..EExtended strand (participates in β ladder)trans-117.1140.7170.600000110.3A134 G136 L149 W165 T198 F199A134-A215 HydrophobicContact CB-CB 3.8Å; A134-A215 VanDerWaalsContact O-CB 3.29Å; A134-A215 WeakPolarHBondContact O-CB 3.43Å; G136-A215 CarbonylContact O-C 3.53Å; G136-A215 VanDerWaalsContact O-CA 3.28Å; G136-A215 WeakPolarHBondContact O-CA 3.44Å; L149-A215 HydrophobicContact CD1-CB 3.91Å; W165-A215 HydrophobicContact CZ3-CB 4.24Å; T198-A215 WeakPolarHBondContact CA-O 3.07Å; F199-A215 PolarHBondContact N-O 2.87Å; F199-A215 PolarHBondContact O-N 3.31Å
216T97.3Very high92.8Very high41 Ų4155.4 Ų55.425%0.25233%0.326SS..EExtended strand (participates in β ladder)trans-122.3137.1177.952.80000110.5G136 R137 H138 Y197 T198G136-T216 PolarHBondContact O-N 2.79Å; R137-T216 CarbonylContact C-O 3.58Å; R137-T216 WeakPolarHBondContact CA-O 3.46Å; R137-T216 WeakPolarHBondContact CA-OG1 3.41Å; R137-T216 WeakPolarHBondContact CB-OG1 3.4Å; R137-T216 WeakPolarHBondContact CG-OG1 3.16Å; H138-T216 PolarHBondContact N-O 3.17Å; Y197-T216 CarbonylContact O-C 3.47Å; Y197-T216 VanDerWaalsContact O-CA 3.26Å; Y197-T216 WeakPolarHBondContact O-CA 3.37Å; T198-T216 HydrophobicContact CG2-CG2 4.21Å
217V97.5Very high92.7Very high0 Ų052.1 Ų52.10%030%0.303CS..EExtended strand (participates in β ladder)trans-124.9112.6176.1-172.60000108.5H138 L140 I147 L149 V196 Y197 V219H138-V217 HydrophobicContact CB-CG1 4.49Å; H138-V217 HydrophobicContact CB-CG2 4.35Å; H138-V217 WeakPolarHBondContact O-CA 3.31Å; L140-V217 HydrophobicContact CB-CG1 4.37Å; I147-V217 HydrophobicContact CD1-CG1 4.05Å; I147-V217 HydrophobicContact CD1-CG2 4.47Å; I147-V217 HydrophobicContact CG2-CG1 4.33Å; I147-V217 HydrophobicContact CG2-CG2 4.49Å; L149-V217 HydrophobicContact CD1-CG2 4.09Å; L149-V217 HydrophobicContact CD2-CG2 3.71Å; L149-V217 HydrophobicContact CG-CG2 4.41Å; V196-V217 WeakPolarHBondContact CA-O 3.42Å; Y197-V217 PolarHBondContact N-O 3.29Å; Y197-V217 PolarHBondContact O-N 2.81Å; V217-V219 HydrophobicContact CG1-CG2 4.2Å
218E97.4Very high93Very high47 Ų4748.6 Ų48.622%0.2229%0.287CS..EExtended strand (participates in β ladder)trans-93.8116173-177.1-175.7153.100109.6R137 H138 V139 L140 V196 Q220R137-E218 IonicContact CZ-OE2 3.86Å; R137-E218 IonicContact NE-OE2 2.65Å; R137-E218 IonicContact NH2-OE2 3.17Å; R137-E218 PolarHBondContact NH2-OE2 2.88Å; H138-E218 PolarHBondContact O-N 3.29Å; V139-E218 CarbonylContact C-O 3.59Å; V139-E218 WeakPolarHBondContact CA-O 3.48Å; V139-E218 HydrophobicContact CG2-CB 4.49Å; L140-E218 PolarHBondContact N-O 3.18Å; V196-E218 HydrophobicContact CG2-CG 4.27Å; E218-Q220 HydrophobicContact CG-CG 4.26Å; E218-Q220 PolarHBondContact OE1-NE2 2.81Å
219V97.6Very high93.1Very high4 Ų446 Ų462%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-99.6109.9178.1-173.40000109L140 L142 L192 V193 E194 G195 Y197 V217L140-V219 HydrophobicContact CB-CG2 4.38Å; L140-V219 HydrophobicContact CD2-CG1 4.46Å; L140-V219 HydrophobicContact CD2-CG2 4.2Å; L140-V219 CarbonylContact O-C 3.53Å; L140-V219 WeakPolarHBondContact O-CA 3.4Å; L142-V219 HydrophobicContact CD1-CG1 4.49Å; L142-V219 HydrophobicContact CD2-CG1 4.23Å; L142-V219 HydrophobicContact CG-CG1 4.04Å; L192-V219 HydrophobicContact CB-CG2 4.16Å; L192-V219 HydrophobicContact CD1-CG2 4.46Å; V193-V219 VanDerWaalsContact O-CB 3.23Å; V193-V219 WeakPolarHBondContact O-CB 3.45Å; V193-V219 WeakPolarHBondContact O-CG1 3.49Å; E194-V219 WeakPolarHBondContact CA-O 3.38Å; G195-V219 PolarHBondContact N-O 3Å; G195-V219 VanDerWaalsContact N-O 3.13Å; G195-V219 PolarHBondContact O-N 2.75Å; Y197-V219 HydrophobicContact CD2-CG2 3.87Å; Y197-V219 HydrophobicContact CE2-CG2 3.7Å; V217-V219 HydrophobicContact CG1-CG2 4.2Å
220Q96.2Very high93.2Very high75 Ų7545.4 Ų45.435%0.3525%0.252SS..EExtended strand (participates in β ladder)trans-92.3150-179.9-66.2-174.6-1.900111.8V139 L140 V141 L142 E218V139-Q220 HydrophobicContact CG1-CG 4.22Å; L140-Q220 PolarHBondContact O-N 3.27Å; V141-Q220 HydrophobicContact CG2-CB 4.31Å; L142-Q220 PolarHBondContact N-O 2.84Å; E218-Q220 HydrophobicContact CG-CG 4.26Å; E218-Q220 PolarHBondContact OE1-NE2 2.81Å
221P91.9Very high93Very high58 Ų5843.4 Ų43.438%0.37724%0.238SC..PPolyproline II helixtrans-65.3155.1178.427.1-34.4000112.3P223P221-P223 WeakPolarHBondContact O-CD 3.42Å
222D89.6Confident92.8Very high16 Ų1640.9 Ų40.99%0.08623%0.225CC..PPolyproline II helixtrans-66120.2177.8-177.3-9.1000110.1L142 R224 K225 Q266L142-D222 HydrophobicContact CB-CB 3.99Å; L142-D222 VanDerWaalsContact O-CA 3.31Å; L142-D222 WeakPolarHBondContact O-CA 3.48Å; L142-D222 WeakPolarHBondContact O-CB 3.5Å; D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 VanDerWaalsContact O-N 3.1Å; D222-R224 WeakPolarHBondContact OD1-CB 3.24Å; D222-R224 PolarHBondContact OD1-N 3.01Å; D222-R224 IonicContact OD1-NE 3.61Å; D222-K225 HydrophobicContact CB-CB 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.86Å; D222-Q266 PolarHBondContact OD2-NE2 3.13Å
223P86.9Confident92.6Very high102 Ų10236.8 Ų36.866%0.66220%0.2SC*.THydrogen-bonded Turntrans-61.7-20.9178.525.3-35.1000112.7V141 P221V141-P223 HydrophobicContact CG1-CG 4.47Å; P221-P223 WeakPolarHBondContact O-CD 3.42Å
224R85.6Confident92.3Very high94 Ų9439 Ų3936%0.35521%0.208SC..THydrogen-bonded Turntrans-955.6178.4-62.4171.6-68.3-170.1-6.1113.2D222 S226 G227 Y281 V290D222-R224 PolarHBondContact O-N 2.8Å; D222-R224 VanDerWaalsContact O-N 3.1Å; D222-R224 WeakPolarHBondContact OD1-CB 3.24Å; D222-R224 PolarHBondContact OD1-N 3.01Å; D222-R224 IonicContact OD1-NE 3.61Å; R224-S226 PolarHBondContact O-N 2.89Å; R224-G227 WeakPolarHBondContact O-CA 3.21Å; R224-G227 PolarHBondContact O-N 3.1Å; R224-Y281 PolarHBondContact NH1-OH 2.98Å; R224-V290 HydrophobicContact CG-CG2 4.45Å
225K85.5Confident92.1Very high104 Ų10436 Ų3645%0.45219%0.19SC..G310 helixtrans-51.1-32.6-178.2-172.9175.1-177.5178.30113.8D222 G227D222-K225 HydrophobicContact CB-CB 4.31Å; D222-K225 WeakPolarHBondContact O-CB 3.42Å; D222-K225 PolarHBondContact O-N 2.86Å; K225-G227 VanDerWaalsContact C-N 3.31Å; K225-G227 PolarHBondContact O-N 2.77Å
226S84.3Confident91.9Very high69 Ų6936.4 Ų36.448%0.48319%0.194SC..G310 helixtrans-75.6-13177.260.80000115.2R224 A293 L325R224-S226 PolarHBondContact O-N 2.89Å; S226-A293 VanDerWaalsContact O-CB 3.26Å; S226-A293 WeakPolarHBondContact O-CB 3.3Å; S226-A293 PolarHBondContact O-N 2.83Å; S226-L325 VanDerWaalsContact O-CD1 3.28Å; S226-L325 WeakPolarHBondContact O-CD1 3.39Å
227G87.8Confident91.5Very high4 Ų437.1 Ų37.14%0.04120%0.198CC..G310 helixtrans-100.9-1.6178.600000114.1R224 K225 Y281R224-G227 WeakPolarHBondContact O-CA 3.21Å; R224-G227 PolarHBondContact O-N 3.1Å; K225-G227 VanDerWaalsContact C-N 3.31Å; K225-G227 PolarHBondContact O-N 2.77Å; G227-Y281 WeakPolarHBondContact O-CB 3.22Å
228L91.8Very high91.1Very high9 Ų941 Ų415%0.04724%0.238CC..  trans-87.9132.1-176.9-64173.8000112.4Q266 V279 Y281 A293 A322L228-Q266 HydrophobicContact CD2-CB 4.44Å; L228-V279 HydrophobicContact CB-CG1 4.06Å; L228-V279 HydrophobicContact CD1-CG1 4.34Å; L228-V279 HydrophobicContact CD2-CG1 4.2Å; L228-V279 HydrophobicContact CG-CG1 4.43Å; L228-Y281 HydrophobicContact CD2-CD1 3.88Å; L228-Y281 HydrophobicContact CD2-CG 4.43Å; L228-A293 VanDerWaalsContact O-CB 3.28Å; L228-A293 WeakPolarHBondContact O-CB 3.46Å; L228-A322 HydrophobicContact CB-CB 3.52Å; L228-A322 HydrophobicContact CD1-CB 4.36Å; L228-A322 PolarHBondContact O-N 2.82Å
229V92.3Very high90.8Very high1 Ų144.5 Ų44.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-111.8134.6175.3-1790000108.5V279 F280 A293 V296 V319 D320V229-V279 WeakPolarHBondContact O-CA 3.46Å; V229-F280 HydrophobicContact CB-CD1 4.47Å; V229-F280 HydrophobicContact CB-CE1 4.04Å; V229-F280 HydrophobicContact CB-CE2 4.38Å; V229-F280 HydrophobicContact CB-CZ 4Å; V229-F280 HydrophobicContact CG1-CE1 3.91Å; V229-F280 HydrophobicContact CG1-CZ 3.89Å; V229-F280 PolarHBondContact N-O 2.97Å; V229-F280 PolarHBondContact O-N 2.78Å; V229-A293 HydrophobicContact CG2-CB 3.87Å; V229-V296 HydrophobicContact CG2-CB 4.03Å; V229-V296 HydrophobicContact CG2-CG1 4Å; V229-V319 HydrophobicContact CG1-CG1 4.01Å; V229-D320 CarbonylContact C-O 3.52Å; V229-D320 WeakPolarHBondContact CA-O 3.29Å; V229-D320 WeakPolarHBondContact CG1-O 3.3Å
230E92.5Very high90.5Very high19 Ų1945.3 Ų45.39%0.08926%0.259CS..EExtended strand (participates in β ladder)trans-102.2123.3172.5-61.5-167.3174.900109.7R269 V277 V279 D320 A322E230-R269 IonicContact OE1-CZ 3.95Å; E230-R269 IonicContact OE1-NH2 3.11Å; E230-R269 PolarHBondContact OE1-NH2 2.68Å; E230-R269 IonicContact OE2-NH2 3.2Å; E230-R269 PolarHBondContact OE2-NH2 3.12Å; E230-V277 HydrophobicContact CB-CG1 4.21Å; E230-V277 HydrophobicContact CG-CG1 4.49Å; E230-V279 HydrophobicContact CG-CG1 4.43Å; E230-V279 HydrophobicContact CG-CG2 4.09Å; E230-D320 PolarHBondContact N-O 3.35Å; E230-D320 PolarHBondContact O-N 3.19Å; E230-A322 HydrophobicContact CG-CB 3.76Å
231L92.1Very high90.4Very high0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-114.4114.9176.6-179.968.5000109.3L233 L252 V277 I278 F280 L300 V316 V319L231-L233 HydrophobicContact CD1-CD2 4.39Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CD2-CG 4.38Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.2Å; L231-L252 HydrophobicContact CD2-CD1 3.92Å; L231-L252 HydrophobicContact CD2-CD2 4.08Å; L231-V277 WeakPolarHBondContact O-CA 3.5Å; L231-I278 PolarHBondContact N-O 2.87Å; L231-I278 PolarHBondContact O-N 2.89Å; L231-F280 HydrophobicContact CB-CE1 3.97Å; L231-F280 HydrophobicContact CD2-CE1 4.46Å; L231-L300 HydrophobicContact CD1-CD2 4.31Å; L231-V316 HydrophobicContact CD1-CB 4.39Å; L231-V316 HydrophobicContact CD1-CG1 3.49Å; L231-V316 VanDerWaalsContact CD1-CG1 3.49Å; L231-V316 HydrophobicContact CD1-CG2 3.98Å; L231-V319 HydrophobicContact CD1-CG2 3.72Å
232T92.6Very high90.4Very high5 Ų547.7 Ų47.73%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-94.4120.3177-50.70000109.6T276 V277 L317 R318T232-T276 WeakPolarHBondContact CA-O 3.47Å; T232-V277 HydrophobicContact CG2-CG2 4.03Å; T232-L317 HydrophobicContact CG2-CB 4.22Å; T232-L317 HydrophobicContact CG2-CD1 4.25Å; T232-L317 PolarHBondContact O-N 2.89Å; T232-R318 PolarHBondContact N-O 2.78Å; T232-R318 PolarHBondContact O-N 2.9Å
233L93Very high90.6Very high0 Ų054.4 Ų54.40%030%0.3CS..EExtended strand (participates in β ladder)trans-111.6145.1-177.3-59.1174.4000110.7L231 V235 L248 S275 T276 I278 F314 V316L231-L233 HydrophobicContact CD1-CD2 4.39Å; L231-L233 HydrophobicContact CD2-CD2 3.88Å; L231-L233 HydrophobicContact CD2-CG 4.38Å; L231-L233 HydrophobicContact CG-CD2 3.82Å; L231-L233 HydrophobicContact CG-CG 4.2Å; L233-V235 HydrophobicContact CB-CG1 3.89Å; L233-V235 PolarHBondContact O-N 3.32Å; L233-L248 HydrophobicContact CD1-CD1 3.52Å; L233-L248 HydrophobicContact CD1-CD2 4.37Å; L233-L248 HydrophobicContact CD2-CD1 4.23Å; L233-S275 VanDerWaalsContact O-CA 3.24Å; L233-S275 WeakPolarHBondContact O-CA 3.23Å; L233-S275 WeakPolarHBondContact O-CB 3.28Å; L233-T276 PolarHBondContact N-O 2.83Å; L233-T276 PolarHBondContact O-N 3.08Å; L233-I278 HydrophobicContact CD1-CD1 3.51Å; L233-I278 HydrophobicContact CD1-CG1 4.16Å; L233-F314 HydrophobicContact CB-CB 4.31Å; L233-F314 HydrophobicContact CD1-CD2 4.14Å; L233-F314 HydrophobicContact CD2-CB 4.41Å; L233-V316 HydrophobicContact CD2-CG2 3.86Å
234Q92.8Very high91Very high103 Ų10354.8 Ų54.848%0.48129%0.288SS..SBendtrans-81.466.2173.1-164.9177.7-5.300111L274 K315 L317Q234-L274 CarbonylContact C-O 3.55Å; Q234-K315 HydrophobicContact CB-CB 4.27Å; Q234-K315 PolarHBondContact N-O 3.2Å; Q234-L317 HydrophobicContact CB-CD1 4.01Å; Q234-L317 HydrophobicContact CB-CD2 4.02Å; Q234-L317 HydrophobicContact CB-CG 3.95Å; Q234-L317 HydrophobicContact CG-CD1 4.44Å; Q234-L317 HydrophobicContact CG-CD2 4.44Å
235V92.4Very high91.4Very high5 Ų552 Ų523%0.0328%0.279CS..SBendtrans-148.3139.1174.262.40000109.2L233 Q239 L274 S275 T276 F314L233-V235 HydrophobicContact CB-CG1 3.89Å; L233-V235 PolarHBondContact O-N 3.32Å; V235-Q239 HydrophobicContact CG2-CB 3.82Å; V235-L274 CarbonylContact C-O 3.55Å; V235-L274 VanDerWaalsContact C-O 3.28Å; V235-L274 PolarHBondContact N-O 2.57Å; V235-L274 CarbonylContact O-C 3.59Å; V235-S275 CarbonylContact O-C 3.56Å; V235-S275 VanDerWaalsContact O-C 3.23Å; V235-S275 VanDerWaalsContact O-CA 3.3Å; V235-S275 WeakPolarHBondContact O-CA 3.25Å; V235-T276 WeakPolarHBondContact O-CB 3.21Å; V235-T276 PolarHBondContact O-N 3.41Å; V235-T276 PolarHBondContact O-OG1 2.77Å; V235-F314 HydrophobicContact CB-CD1 3.72Å; V235-F314 HydrophobicContact CB-CE1 4.01Å; V235-F314 HydrophobicContact CB-CG 4.09Å; V235-F314 HydrophobicContact CG1-CB 4.44Å; V235-F314 HydrophobicContact CG1-CD1 4.05Å; V235-F314 HydrophobicContact CG1-CD2 4.16Å; V235-F314 HydrophobicContact CG1-CE1 4.32Å; V235-F314 HydrophobicContact CG1-CE2 4.42Å; V235-F314 HydrophobicContact CG1-CG 3.95Å; V235-F314 HydrophobicContact CG1-CZ 4.47Å; V235-F314 HydrophobicContact CG2-CD1 3.89Å; V235-F314 HydrophobicContact CG2-CE1 3.64Å; V235-F314 HydrophobicContact CG2-CZ 4.17Å
236G92.4Very high91.8Very high8 Ų850.4 Ų50.48%0.08228%0.275CS..  trans-71.7144.8172.700000111.5G238 Q239 D273G236-G238 VanDerWaalsContact C-N 3.27Å; G236-G238 PolarHBondContact O-N 3.38Å; G236-Q239 PolarHBondContact O-N 2.83Å; G236-D273 WeakPolarHBondContact CA-O 3.45Å
237V90.1Very high92.2Very high57 Ų5750 Ų5035%0.34527%0.27SS..G310 helixtrans-57.1-39.2-172.6179.80000112.5Q239 L240 A270 T276V237-Q239 PolarHBondContact O-N 3.04Å; V237-L240 PolarHBondContact O-N 2.88Å; V237-L240 VanDerWaalsContact O-N 3.15Å; V237-A270 HydrophobicContact CG2-CB 3.52Å; V237-T276 WeakPolarHBondContact CA-OG1 3.12Å; V237-T276 HydrophobicContact CG2-CG2 3.94Å; V237-T276 VanDerWaalsContact CG2-OG1 3.29Å; V237-T276 WeakPolarHBondContact CG2-OG1 3.42Å; V237-T276 PolarHBondContact N-OG1 2.84Å; V237-T276 VanDerWaalsContact N-OG1 3.16Å
238G88.9Confident92.5Very high82 Ų8249.8 Ų49.885%0.84527%0.268SS*.G310 helixtrans-65-18.8178.800000114.7G236G236-G238 VanDerWaalsContact C-N 3.27Å; G236-G238 PolarHBondContact O-N 3.38Å
239Q90.2Very high92.6Very high119 Ų11950.1 Ų50.156%0.55627%0.27SS*.G310 helixtrans-91.8-11.9177.8-62.3-177.2-3.600113.1V235 G236 V237 T241 R244V235-Q239 HydrophobicContact CG2-CB 3.82Å; G236-Q239 PolarHBondContact O-N 2.83Å; V237-Q239 PolarHBondContact O-N 3.04Å; Q239-T241 PolarHBondContact O-N 3.28Å; Q239-T241 VanDerWaalsContact O-N 3.17Å; Q239-R244 VanDerWaalsContact O-CD 3.28Å; Q239-R244 WeakPolarHBondContact O-CD 3.49Å; Q239-R244 PolarHBondContact O-NH1 3.29Å
240L91.7Very high92.7Very high21 Ų2157.3 Ų57.311%0.1130%0.297CS..  trans-84.881.8176.1-175.966.5000109.2V237 R244 K245 I268 T276 I278 F314V237-L240 PolarHBondContact O-N 2.88Å; V237-L240 VanDerWaalsContact O-N 3.15Å; L240-R244 HydrophobicContact CD1-CB 4.34Å; L240-K245 HydrophobicContact CD1-CB 4.46Å; L240-I268 HydrophobicContact CD2-CD1 4.19Å; L240-I268 HydrophobicContact CD2-CG2 4.01Å; L240-T276 HydrophobicContact CD2-CG2 3.94Å; L240-I278 HydrophobicContact CD2-CD1 3.86Å; L240-I278 HydrophobicContact CD2-CG1 4.32Å; L240-F314 HydrophobicContact CD1-CD2 4.42Å; L240-F314 HydrophobicContact CD1-CE2 3.49Å; L240-F314 VanDerWaalsContact CD1-CE2 3.49Å; L240-F314 HydrophobicContact CD1-CZ 3.94Å
241T93.1Very high92.7Very high65 Ų6558.5 Ų58.540%0.39930%0.303SS..  trans-69.5160.3174.265.50000111.3Q239 Q243 R244 K245Q239-T241 PolarHBondContact O-N 3.28Å; Q239-T241 VanDerWaalsContact O-N 3.17Å; T241-Q243 VanDerWaalsContact C-N 3.25Å; T241-Q243 PolarHBondContact O-N 3.46Å; T241-R244 PolarHBondContact O-N 3.29Å; T241-R244 WeakPolarHBondContact OG1-CG 3.31Å; T241-R244 PolarHBondContact OG1-N 2.79Å; T241-K245 PolarHBondContact O-N 3.08Å
242E93.6Very high92.7Very high119 Ų11958.6 Ų58.656%0.55630%0.303SS*.Hα-helixtrans-55.8-40.4177.5-169.268.7174.300112.2R244 K245 D246E242-R244 PolarHBondContact O-N 3.39Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 2.97Å; E242-K245 WeakPolarHBondContact OE1-CE 3.26Å; E242-K245 IonicContact OE1-NZ 3.7Å; E242-K245 PolarHBondContact OE1-NZ 2.78Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.12Å; E242-K245 IonicContact OE2-NZ 2.62Å; E242-K245 PolarHBondContact OE2-NZ 2.81Å; E242-D246 PolarHBondContact O-N 3.35Å
243Q93.8Very high92.7Very high157 Ų15758.5 Ų58.573%0.73430%0.303SS*.Hα-helixtrans-61.9-41174.9-66.8177-21.700113T241 D246 T247T241-Q243 VanDerWaalsContact C-N 3.25Å; T241-Q243 PolarHBondContact O-N 3.46Å; Q243-D246 PolarHBondContact O-N 2.86Å; Q243-T247 PolarHBondContact O-N 3.23Å; Q243-T247 VanDerWaalsContact O-N 3.08Å; Q243-T247 PolarHBondContact O-OG1 3.42Å
244R93.8Very high92.6Very high110 Ų11063.3 Ų63.342%0.41533%0.332SS..Hα-helixtrans-70.8-37.1178.1-72.7174.9169.9-167-4111.2Q239 L240 T241 E242 T247 L248 L313 F314Q239-R244 VanDerWaalsContact O-CD 3.28Å; Q239-R244 WeakPolarHBondContact O-CD 3.49Å; Q239-R244 PolarHBondContact O-NH1 3.29Å; L240-R244 HydrophobicContact CD1-CB 4.34Å; T241-R244 PolarHBondContact O-N 3.29Å; T241-R244 WeakPolarHBondContact OG1-CG 3.31Å; T241-R244 PolarHBondContact OG1-N 2.79Å; E242-R244 PolarHBondContact O-N 3.39Å; R244-T247 PolarHBondContact O-N 3.02Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.32Å; R244-L313 HydrophobicContact CB-CD2 3.86Å; R244-L313 HydrophobicContact CG-CD2 3.97Å; R244-F314 HydrophobicContact CB-CE2 4.43Å; R244-F314 HydrophobicContact CB-CZ 4.07Å; R244-F314 HydrophobicContact CG-CZ 4.48Å
245K93.8Very high92.4Very high35 Ų3558.6 Ų58.615%0.15231%0.31CS..Hα-helixtrans-58.4-49.3171.8-175.8-160.472.8-177.80110.7L240 T241 E242 T247 L248 V249 I268L240-K245 HydrophobicContact CD1-CB 4.46Å; T241-K245 PolarHBondContact O-N 3.08Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 2.97Å; E242-K245 WeakPolarHBondContact OE1-CE 3.26Å; E242-K245 IonicContact OE1-NZ 3.7Å; E242-K245 PolarHBondContact OE1-NZ 2.78Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.12Å; E242-K245 IonicContact OE2-NZ 2.62Å; E242-K245 PolarHBondContact OE2-NZ 2.81Å; K245-T247 VanDerWaalsContact C-N 3.32Å; K245-T247 PolarHBondContact O-N 3.34Å; K245-L248 WeakPolarHBondContact O-CB 3.25Å; K245-L248 PolarHBondContact O-N 3.39Å; K245-V249 WeakPolarHBondContact O-CG2 3.23Å; K245-V249 PolarHBondContact O-N 2.99Å; K245-I268 HydrophobicContact CD-CD1 3.84Å; K245-I268 HydrophobicContact CG-CD1 4.27Å
246D94Very high92.3Very high70 Ų7059.7 Ų59.737%0.37432%0.316SS..Hα-helixtrans-64.1-38.5-179.7-67.8-15.2000112.3E242 Q243 V249 R250E242-D246 PolarHBondContact O-N 3.35Å; Q243-D246 PolarHBondContact O-N 2.86Å; D246-V249 PolarHBondContact O-N 3.35Å; D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 2.89Å
247T94.2Very high92.1Very high60 Ų6066.2 Ų66.237%0.36835%0.349SS..Hα-helixtrans-61.9-45.1174.3-56.30000111.2Q243 R244 K245 R250 Q251Q243-T247 PolarHBondContact O-N 3.23Å; Q243-T247 VanDerWaalsContact O-N 3.08Å; Q243-T247 PolarHBondContact O-OG1 3.42Å; R244-T247 PolarHBondContact O-N 3.02Å; K245-T247 VanDerWaalsContact C-N 3.32Å; K245-T247 PolarHBondContact O-N 3.34Å; T247-R250 PolarHBondContact O-N 3.09Å; T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.8Å
248L93.6Very high92.2Very high1 Ų165.5 Ų65.51%0.00534%0.344CS..Hα-helixtrans-62.5-43.5175.9177.4126.5000111.8L233 R244 K245 R250 Q251 L252 I278 F314L233-L248 HydrophobicContact CD1-CD1 3.52Å; L233-L248 HydrophobicContact CD1-CD2 4.37Å; L233-L248 HydrophobicContact CD2-CD1 4.23Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.32Å; K245-L248 WeakPolarHBondContact O-CB 3.25Å; K245-L248 PolarHBondContact O-N 3.39Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.86Å; L248-Q251 PolarHBondContact O-N 2.8Å; L248-L252 HydrophobicContact CD2-CD1 3.62Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; L248-L252 HydrophobicContact CG-CD1 4.14Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.29Å; L248-I278 HydrophobicContact CD2-CD1 3.74Å; L248-F314 HydrophobicContact CD1-CD2 3.66Å; L248-F314 HydrophobicContact CD1-CE2 4.26Å
249V94.6Very high92.2Very high16 Ų1664.9 Ų64.910%0.09732%0.322CS..Hα-helixtrans-60.4-42.1176.7171.30000111.1K245 D246 L252 A253 I263 V265K245-V249 WeakPolarHBondContact O-CG2 3.23Å; K245-V249 PolarHBondContact O-N 2.99Å; D246-V249 PolarHBondContact O-N 3.35Å; V249-L252 PolarHBondContact O-N 2.81Å; V249-A253 WeakPolarHBondContact O-CB 3.44Å; V249-A253 PolarHBondContact O-N 3.07Å; V249-I263 HydrophobicContact CG1-CB 4.01Å; V249-I263 HydrophobicContact CG1-CG2 4.07Å; V249-V265 HydrophobicContact CG2-CG2 3.88Å
250R93.4Very high92.1Very high152 Ų15262.9 Ų62.957%0.57431%0.314SS*.Hα-helixtrans-62.4-44.2175-72.7174.8-178.21654.7112.4D246 T247 L248 A253 V254 D260D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 2.89Å; T247-R250 PolarHBondContact O-N 3.09Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.86Å; R250-A253 WeakPolarHBondContact O-CB 3.31Å; R250-A253 PolarHBondContact O-N 3.46Å; R250-V254 WeakPolarHBondContact O-CG2 3.47Å; R250-V254 PolarHBondContact O-N 2.8Å; R250-V254 VanDerWaalsContact O-N 3.08Å; R250-D260 HydrophobicContact CG-CB 4.17Å
251Q92.1Very high92Very high43 Ų4364.8 Ų64.820%0.20133%0.33CS..Hα-helixtrans-64.2-41.7176.7-68.7173.7-34.300111.6T247 L248 A253 V254 L255 F311 L312T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.8Å; L248-Q251 PolarHBondContact O-N 2.8Å; Q251-A253 VanDerWaalsContact C-N 3.3Å; Q251-A253 PolarHBondContact O-N 2.84Å; Q251-V254 PolarHBondContact O-N 2.66Å; Q251-L255 PolarHBondContact O-N 3.05Å; Q251-F311 HydrophobicContact CB-CD1 4.38Å; Q251-F311 HydrophobicContact CB-CE1 3.9Å; Q251-F311 HydrophobicContact CG-CE1 4.35Å; Q251-F311 PolarHBondContact NE2-O 3.12Å; Q251-F311 VanDerWaalsContact NE2-O 3.09Å; Q251-F311 WeakPolarHBondContact O-CE1 3.24Å; Q251-L312 HydrophobicContact CB-CD2 3.67Å
252L92.1Very high92Very high2 Ų263 Ų631%0.0132%0.317CS..Hα-helixtrans-61.5-39174.2-73174000112.2L231 L248 V249 V254 L255 L256 I263 L300 L312L231-L252 HydrophobicContact CD2-CD1 3.92Å; L231-L252 HydrophobicContact CD2-CD2 4.08Å; L248-L252 HydrophobicContact CD2-CD1 3.62Å; L248-L252 HydrophobicContact CD2-CG 4.42Å; L248-L252 HydrophobicContact CG-CD1 4.14Å; L248-L252 HydrophobicContact CG-CG 4.42Å; L248-L252 WeakPolarHBondContact O-CB 3.29Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.29Å; V249-L252 PolarHBondContact O-N 2.81Å; L252-V254 VanDerWaalsContact C-N 3.34Å; L252-L255 PolarHBondContact O-N 3.15Å; L252-L256 WeakPolarHBondContact O-CB 3.07Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.42Å; L252-I263 HydrophobicContact CB-CD1 3.87Å; L252-L300 HydrophobicContact CD2-CD1 4.01Å; L252-L312 HydrophobicContact CD2-CD1 4.15Å; L252-L312 HydrophobicContact CD2-CD2 3.94Å; L252-L312 HydrophobicContact CG-CD2 4.09Å
253A92.2Very high91.9Very high4 Ų457.7 Ų57.73%0.03329%0.293CS..Hα-helixtrans-61.9-42.9176.600000111.7V249 R250 Q251 L256 N257 V258 D260 I263V249-A253 WeakPolarHBondContact O-CB 3.44Å; V249-A253 PolarHBondContact O-N 3.07Å; R250-A253 WeakPolarHBondContact O-CB 3.31Å; R250-A253 PolarHBondContact O-N 3.46Å; Q251-A253 VanDerWaalsContact C-N 3.3Å; Q251-A253 PolarHBondContact O-N 2.84Å; A253-L256 PolarHBondContact O-N 3.15Å; A253-N257 WeakPolarHBondContact O-CA 2.9Å; A253-N257 PolarHBondContact O-N 2.84Å; A253-V258 CarbonylContact C-O 3.57Å; A253-V258 HydrophobicContact CB-CG2 4.34Å; A253-V258 WeakPolarHBondContact CB-O 3.19Å; A253-V258 PolarHBondContact O-N 2.91Å; A253-D260 HydrophobicContact CB-CB 4.2Å; A253-I263 HydrophobicContact CB-CD1 3.88Å
254V90.9Very high91.8Very high100 Ų10054.4 Ų54.461%0.60628%0.276SS*.Hα-helixtrans-62.2-46.5174.3175.70000111.4R250 Q251 L252 L256 N257 F311R250-V254 WeakPolarHBondContact O-CG2 3.47Å; R250-V254 PolarHBondContact O-N 2.8Å; R250-V254 VanDerWaalsContact O-N 3.08Å; Q251-V254 PolarHBondContact O-N 2.66Å; L252-V254 VanDerWaalsContact C-N 3.34Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 2.93Å; V254-N257 PolarHBondContact O-N 2.91Å; V254-N257 VanDerWaalsContact O-N 3.15Å; V254-F311 HydrophobicContact CB-CE1 4.43Å; V254-F311 HydrophobicContact CB-CZ 4.17Å; V254-F311 HydrophobicContact CG1-CE1 4.45Å; V254-F311 HydrophobicContact CG1-CZ 3.83Å
255L89.4Confident91.8Very high5 Ų551.4 Ų51.43%0.02627%0.27CS..Hα-helixtrans-60.9-39.9178.9-76.1172.5000113Q251 L252 N257 R303 L304 E307 F311 L312Q251-L255 PolarHBondContact O-N 3.05Å; L252-L255 PolarHBondContact O-N 3.15Å; L255-N257 VanDerWaalsContact C-N 3.31Å; L255-R303 HydrophobicContact CD2-CB 4.27Å; L255-L304 HydrophobicContact CD1-CD2 3.81Å; L255-E307 WeakPolarHBondContact CD2-OE2 3.48Å; L255-F311 HydrophobicContact CD1-CD1 3.88Å; L255-F311 HydrophobicContact CD1-CE1 4.31Å; L255-F311 HydrophobicContact CD2-CD1 3.78Å; L255-F311 HydrophobicContact CD2-CE1 4.1Å; L255-F311 HydrophobicContact CD2-CG 4.37Å; L255-F311 HydrophobicContact CG-CD1 3.68Å; L255-F311 HydrophobicContact CG-CE1 3.74Å; L255-L312 HydrophobicContact CD1-CD1 4.09Å; L255-L312 HydrophobicContact CD1-CD2 3.88Å; L255-L312 HydrophobicContact CD1-CG 3.9Å
256L89.6Confident91.7Very high27 Ų2752.2 Ų52.214%0.14127%0.274CS..Hα-helixtrans-85.1-5.5179.9-69.8176000113.1L252 A253 V254 V258 I263 F280 V282 V296 N299 L300L252-L256 WeakPolarHBondContact O-CB 3.07Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 3.42Å; A253-L256 PolarHBondContact O-N 3.15Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 2.93Å; L256-V258 VanDerWaalsContact C-N 3.28Å; L256-V258 HydrophobicContact CB-CG1 4.4Å; L256-V258 HydrophobicContact CB-CG2 3.86Å; L256-V258 PolarHBondContact O-N 2.84Å; L256-I263 HydrophobicContact CD1-CD1 4.24Å; L256-F280 HydrophobicContact CD1-CE2 4.48Å; L256-V282 HydrophobicContact CD1-CG2 4.09Å; L256-V296 HydrophobicContact CD1-CG1 3.88Å; L256-V296 HydrophobicContact CD2-CG1 4.12Å; L256-N299 HydrophobicContact CD2-CB 4.28Å; L256-L300 HydrophobicContact CD1-CD1 4.08Å; L256-L300 HydrophobicContact CD2-CB 4.22Å; L256-L300 HydrophobicContact CD2-CD1 4.04Å; L256-L300 HydrophobicContact CD2-CG 4.44Å; L256-L300 HydrophobicContact CG-CD1 4.16Å
257N89.9Confident91.5Very high146 Ų14653.9 Ų53.978%0.78128%0.278SS*.THydrogen-bonded Turntrans53.444.4-173.7-168.450000112.8A253 V254 L255A253-N257 WeakPolarHBondContact O-CA 2.9Å; A253-N257 PolarHBondContact O-N 2.84Å; V254-N257 PolarHBondContact O-N 2.91Å; V254-N257 VanDerWaalsContact O-N 3.15Å; L255-N257 VanDerWaalsContact C-N 3.31Å
258V90.6Very high91.5Very high41 Ų4154 Ų5425%0.24828%0.276CS..SBendtrans-123168.3176.1-62.30000109.9A253 L256 D262 I263 V282A253-V258 CarbonylContact C-O 3.57Å; A253-V258 HydrophobicContact CB-CG2 4.34Å; A253-V258 WeakPolarHBondContact CB-O 3.19Å; A253-V258 PolarHBondContact O-N 2.91Å; L256-V258 VanDerWaalsContact C-N 3.28Å; L256-V258 HydrophobicContact CB-CG1 4.4Å; L256-V258 HydrophobicContact CB-CG2 3.86Å; L256-V258 PolarHBondContact O-N 2.84Å; V258-D262 HydrophobicContact CB-CB 4.4Å; V258-I263 HydrophobicContact CG2-CD1 3.98Å; V258-I263 HydrophobicContact CG2-CG1 3.89Å; V258-V282 HydrophobicContact CB-CG1 4.47Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG2-CG1 4.26Å
259L89.6Confident91.4Very high70 Ų7058.6 Ų58.637%0.36629%0.293SS..  trans-72.7151.4171.9-63.4178.6000110.5S261 D262 R285L259-S261 PolarHBondContact O-N 3.15Å; L259-D262 HydrophobicContact CB-CB 4.47Å; L259-D262 WeakPolarHBondContact CB-OD2 3.34Å; L259-D262 PolarHBondContact N-OD2 2.92Å; L259-D262 WeakPolarHBondContact O-CB 3.48Å; L259-D262 PolarHBondContact O-N 3.31Å; L259-D262 VanDerWaalsContact O-N 3.08Å; L259-R285 VanDerWaalsContact CD1-NH2 3.27Å
260D88.9Confident91.2Very high76 Ų7661.1 Ų61.141%0.40632%0.316SS..G310 helixtrans-57.7-37.5170.860.3-17.7000112R250 A253 D262 I263R250-D260 HydrophobicContact CG-CB 4.17Å; A253-D260 HydrophobicContact CB-CB 4.2Å; D260-D262 PolarHBondContact O-N 3.14Å; D260-I263 PolarHBondContact O-N 2.88Å
261S89.6Confident91Very high61 Ų6159.3 Ų59.343%0.42731%0.314SS..G310 helixtrans-64.6-22.3175.663.30000114.8L259 K264L259-S261 PolarHBondContact O-N 3.15Å; S261-K264 WeakPolarHBondContact O-CE 3.25Å; S261-K264 PolarHBondContact O-NZ 2.92Å
262D91.6Very high90.9Very high27 Ų2760.1 Ų60.114%0.14432%0.324CS..G310 helixtrans-79.9-21.3-179.6-66.8-21.9000111.9V258 L259 D260 V282 Q283V258-D262 HydrophobicContact CB-CB 4.4Å; L259-D262 HydrophobicContact CB-CB 4.47Å; L259-D262 WeakPolarHBondContact CB-OD2 3.34Å; L259-D262 PolarHBondContact N-OD2 2.92Å; L259-D262 WeakPolarHBondContact O-CB 3.48Å; L259-D262 PolarHBondContact O-N 3.31Å; L259-D262 VanDerWaalsContact O-N 3.08Å; D260-D262 PolarHBondContact O-N 3.14Å; D262-V282 HydrophobicContact CB-CG1 4.43Å; D262-V282 WeakPolarHBondContact O-CA 3.47Å; D262-Q283 WeakPolarHBondContact CB-O 3.25Å; D262-Q283 PolarHBondContact O-N 2.64Å
263I92.6Very high90.5Very high8 Ų867.5 Ų67.54%0.04136%0.364CS..EExtended strand (participates in β ladder)trans-88.5116.1176.7-59.4-174.7000109.2V249 L252 A253 L256 V258 D260 F280 V282V249-I263 HydrophobicContact CG1-CB 4.01Å; V249-I263 HydrophobicContact CG1-CG2 4.07Å; L252-I263 HydrophobicContact CB-CD1 3.87Å; A253-I263 HydrophobicContact CB-CD1 3.88Å; L256-I263 HydrophobicContact CD1-CD1 4.24Å; V258-I263 HydrophobicContact CG2-CD1 3.98Å; V258-I263 HydrophobicContact CG2-CG1 3.89Å; D260-I263 PolarHBondContact O-N 2.88Å; I263-F280 HydrophobicContact CG2-CB 4.44Å; I263-F280 HydrophobicContact CG2-CD2 3.83Å; I263-F280 HydrophobicContact CG2-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CG 4.37Å; I263-V282 HydrophobicContact CG1-CG2 4.34Å
264K92.1Very high90.4Very high89 Ų8973.4 Ų73.439%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-112.9115.1177.4-61.8-53.7-171.9-1580110.3S261 F280 Y281S261-K264 WeakPolarHBondContact O-CE 3.25Å; S261-K264 PolarHBondContact O-NZ 2.92Å; K264-F280 VanDerWaalsContact O-CA 3.24Å; K264-F280 WeakPolarHBondContact O-CA 3.21Å; K264-F280 WeakPolarHBondContact O-CB 3.38Å; K264-Y281 HydrophobicContact CB-CD1 4.17Å; K264-Y281 HydrophobicContact CB-CD2 4.39Å; K264-Y281 HydrophobicContact CB-CE1 3.6Å; K264-Y281 HydrophobicContact CB-CE2 3.87Å; K264-Y281 VanDerWaalsContact CB-CZ 3.43Å; K264-Y281 HydrophobicContact CG-CE2 4.05Å; K264-Y281 PolarHBondContact N-O 3.16Å; K264-Y281 PolarHBondContact O-N 2.83Å
265V93.2Very high90.6Very high47 Ų4769 Ų6929%0.28537%0.367SS..EExtended strand (participates in β ladder)trans-77.5124.3171.8-179.10000108.8V249 I268 I278 F280V249-V265 HydrophobicContact CG2-CG2 3.88Å; V265-I268 HydrophobicContact CG1-CD1 4.24Å; V265-I268 HydrophobicContact CG1-CG1 3.88Å; V265-I278 HydrophobicContact CG1-CG2 3.75Å; V265-I278 HydrophobicContact CG2-CG2 4.19Å; V265-F280 HydrophobicContact CG2-CB 4.36Å
266Q91.1Very high90.8Very high51 Ų5168.7 Ų68.724%0.23837%0.366CS..EExtended strand (participates in β ladder)trans-97.2-42.6-178.5-172.3-174.936.800112P143 D222 L228 V279P143-Q266 HydrophobicContact CB-CG 4.23Å; P143-Q266 HydrophobicContact CG-CG 4.12Å; D222-Q266 PolarHBondContact OD2-NE2 3.13Å; L228-Q266 HydrophobicContact CD2-CB 4.44Å; Q266-V279 PolarHBondContact N-O 3.03Å
267K90.4Very high91Very high105 Ų10567.5 Ų67.546%0.45736%0.36SS..EExtended strand (participates in β ladder)trans-149142.1-176.6-174.6171.1-178.41700110.8V279K267-V279 HydrophobicContact CB-CB 4.26Å; K267-V279 HydrophobicContact CB-CG2 4.32Å; K267-V279 PolarHBondContact N-O 3.03Å; K267-V279 PolarHBondContact O-N 2.96Å
268I92.8Very high91.2Very high64 Ų6460.6 Ų60.633%0.32832%0.323SS..EExtended strand (participates in β ladder)trans-120.4129.4169.1-58.3175.9000106.6L240 K245 V265 T276 V277 I278L240-I268 HydrophobicContact CD2-CD1 4.19Å; L240-I268 HydrophobicContact CD2-CG2 4.01Å; K245-I268 HydrophobicContact CD-CD1 3.84Å; K245-I268 HydrophobicContact CG-CD1 4.27Å; V265-I268 HydrophobicContact CG1-CD1 4.24Å; V265-I268 HydrophobicContact CG1-CG1 3.88Å; I268-T276 HydrophobicContact CG2-CG2 3.53Å; I268-V277 WeakPolarHBondContact CA-O 3.44Å; I268-I278 HydrophobicContact CG1-CG1 4.4Å; I268-I278 HydrophobicContact CG1-CG2 4.49Å
269R91.8Very high91.4Very high96 Ų9659 Ų5936%0.36231%0.314SS..EExtended strand (participates in β ladder)trans-138.7149.1179.364.5-179.1176.3-165.5-7.1111.2E230 V277E230-R269 IonicContact OE1-CZ 3.95Å; E230-R269 IonicContact OE1-NH2 3.11Å; E230-R269 PolarHBondContact OE1-NH2 2.68Å; E230-R269 IonicContact OE2-NH2 3.2Å; E230-R269 PolarHBondContact OE2-NH2 3.12Å; R269-V277 HydrophobicContact CG-CB 3.87Å; R269-V277 HydrophobicContact CG-CG1 4.22Å; R269-V277 PolarHBondContact N-O 3.04Å; R269-V277 PolarHBondContact O-N 2.9Å
270A91.6Very high91.6Very high70 Ų7055.8 Ų55.858%0.57930%0.296SS*.EExtended strand (participates in β ladder)trans-68136.2168.600000109.3V237V237-A270 HydrophobicContact CG2-CB 3.52Å
271H88.7Confident91.8Very high113 Ų11353.3 Ų53.352%0.52328%0.282SS..EExtended strand (participates in β ladder)trans-107.2-36.2169.2-17868.1000111.2S275 V277H271-S275 WeakPolarHBondContact CB-OG 3.38Å; H271-S275 PolarHBondContact CD2-OG 3Å; H271-S275 PolarHBondContact N-O 3.19Å; H271-V277 HydrophobicContact CB-CG2 3.66Å
272S89.3Confident91.9Very high60 Ų6050.5 Ų50.542%0.4226%0.262SS..EExtended strand (participates in β ladder)trans-149.8178.8165.769.10000109.3L274 S275S272-L274 PolarHBondContact O-N 2.77Å; S272-S275 WeakPolarHBondContact CB-OG 3.37Å; S272-S275 PolarHBondContact N-O 3.2Å; S272-S275 PolarHBondContact N-OG 3.41Å; S272-S275 VanDerWaalsContact N-OG 3.12Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; S272-S275 WeakPolarHBondContact OG-CB 3.36Å; S272-S275 PolarHBondContact OG-N 3.48Å; S272-S275 PolarHBondContact OG-OG 2.96Å
273D85.3Confident91.8Very high158 Ų15851.5 Ų51.585%0.84527%0.266SS*.THydrogen-bonded Turntrans-57.6-25.6178.8-55.1-32.9000113.2G236G236-D273 WeakPolarHBondContact CA-O 3.45Å
274L90.1Very high91.4Very high128 Ų12852.9 Ų52.967%0.6728%0.276SS*.THydrogen-bonded Turntrans-1175.5-177.2-59.4175.2000113.2Q234 V235 S272Q234-L274 CarbonylContact C-O 3.55Å; V235-L274 CarbonylContact C-O 3.55Å; V235-L274 VanDerWaalsContact C-O 3.28Å; V235-L274 PolarHBondContact N-O 2.57Å; V235-L274 CarbonylContact O-C 3.59Å; S272-L274 PolarHBondContact O-N 2.77Å
275S93.4Very high90.6Very high6 Ų656.4 Ų56.44%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-136.1138.9-179.4710000113.6L233 V235 H271 S272L233-S275 VanDerWaalsContact O-CA 3.24Å; L233-S275 WeakPolarHBondContact O-CA 3.23Å; L233-S275 WeakPolarHBondContact O-CB 3.28Å; V235-S275 CarbonylContact O-C 3.56Å; V235-S275 VanDerWaalsContact O-C 3.23Å; V235-S275 VanDerWaalsContact O-CA 3.3Å; V235-S275 WeakPolarHBondContact O-CA 3.25Å; H271-S275 WeakPolarHBondContact CB-OG 3.38Å; H271-S275 PolarHBondContact CD2-OG 3Å; H271-S275 PolarHBondContact N-O 3.19Å; S272-S275 WeakPolarHBondContact CB-OG 3.37Å; S272-S275 PolarHBondContact N-O 3.2Å; S272-S275 PolarHBondContact N-OG 3.41Å; S272-S275 VanDerWaalsContact N-OG 3.12Å; S272-S275 PolarHBondContact O-N 2.96Å; S272-S275 VanDerWaalsContact O-N 3.16Å; S272-S275 WeakPolarHBondContact OG-CB 3.36Å; S272-S275 PolarHBondContact OG-N 3.48Å; S272-S275 PolarHBondContact OG-OG 2.96Å
276T94.8Very high89.7Confident0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-121.1135.8-177.2-61.60000109.2T232 L233 V235 V237 L240 I268 I278T232-T276 WeakPolarHBondContact CA-O 3.47Å; L233-T276 PolarHBondContact N-O 2.83Å; L233-T276 PolarHBondContact O-N 3.08Å; V235-T276 WeakPolarHBondContact O-CB 3.21Å; V235-T276 PolarHBondContact O-N 3.41Å; V235-T276 PolarHBondContact O-OG1 2.77Å; V237-T276 WeakPolarHBondContact CA-OG1 3.12Å; V237-T276 HydrophobicContact CG2-CG2 3.94Å; V237-T276 VanDerWaalsContact CG2-OG1 3.29Å; V237-T276 WeakPolarHBondContact CG2-OG1 3.42Å; V237-T276 PolarHBondContact N-OG1 2.84Å; V237-T276 VanDerWaalsContact N-OG1 3.16Å; L240-T276 HydrophobicContact CD2-CG2 3.94Å; I268-T276 HydrophobicContact CG2-CG2 3.53Å; T276-I278 HydrophobicContact CG2-CG1 4.29Å
277V93.8Very high88.8Confident2 Ų261.9 Ų61.91%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-104.2123.7172.3169.70000108.9E230 L231 T232 I268 R269 H271 V279E230-V277 HydrophobicContact CB-CG1 4.21Å; E230-V277 HydrophobicContact CG-CG1 4.49Å; L231-V277 WeakPolarHBondContact O-CA 3.5Å; T232-V277 HydrophobicContact CG2-CG2 4.03Å; I268-V277 WeakPolarHBondContact CA-O 3.44Å; R269-V277 HydrophobicContact CG-CB 3.87Å; R269-V277 HydrophobicContact CG-CG1 4.22Å; R269-V277 PolarHBondContact N-O 3.04Å; R269-V277 PolarHBondContact O-N 2.9Å; H271-V277 HydrophobicContact CB-CG2 3.66Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å
278I94.5Very high88Confident1 Ų163.9 Ų63.91%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-106.2124173.2-56.8-176.3000107.8L231 L233 L240 L248 V265 I268 T276L231-I278 PolarHBondContact N-O 2.87Å; L231-I278 PolarHBondContact O-N 2.89Å; L233-I278 HydrophobicContact CD1-CD1 3.51Å; L233-I278 HydrophobicContact CD1-CG1 4.16Å; L240-I278 HydrophobicContact CD2-CD1 3.86Å; L240-I278 HydrophobicContact CD2-CG1 4.32Å; L248-I278 HydrophobicContact CD2-CD1 3.74Å; V265-I278 HydrophobicContact CG1-CG2 3.75Å; V265-I278 HydrophobicContact CG2-CG2 4.19Å; I268-I278 HydrophobicContact CG1-CG1 4.4Å; I268-I278 HydrophobicContact CG1-CG2 4.49Å; T276-I278 HydrophobicContact CG2-CG1 4.29Å
279V93.6Very high87.6Confident8 Ų868.2 Ų68.25%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-103.5121.1174.8-168.60000108.4L228 V229 E230 Q266 K267 V277 A322L228-V279 HydrophobicContact CB-CG1 4.06Å; L228-V279 HydrophobicContact CD1-CG1 4.34Å; L228-V279 HydrophobicContact CD2-CG1 4.2Å; L228-V279 HydrophobicContact CG-CG1 4.43Å; V229-V279 WeakPolarHBondContact O-CA 3.46Å; E230-V279 HydrophobicContact CG-CG1 4.43Å; E230-V279 HydrophobicContact CG-CG2 4.09Å; Q266-V279 PolarHBondContact N-O 3.03Å; K267-V279 HydrophobicContact CB-CB 4.26Å; K267-V279 HydrophobicContact CB-CG2 4.32Å; K267-V279 PolarHBondContact N-O 3.03Å; K267-V279 PolarHBondContact O-N 2.96Å; V277-V279 HydrophobicContact CG1-CG2 4.2Å; V279-A322 HydrophobicContact CG1-CB 4.34Å
280F94.3Very high87.2Confident1 Ų165.7 Ų65.70%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-140.9163.4-178.271.6-84.6000111.8V229 L231 L256 I263 K264 V265 V282 V296 L300V229-F280 HydrophobicContact CB-CD1 4.47Å; V229-F280 HydrophobicContact CB-CE1 4.04Å; V229-F280 HydrophobicContact CB-CE2 4.38Å; V229-F280 HydrophobicContact CB-CZ 4Å; V229-F280 HydrophobicContact CG1-CE1 3.91Å; V229-F280 HydrophobicContact CG1-CZ 3.89Å; V229-F280 PolarHBondContact N-O 2.97Å; V229-F280 PolarHBondContact O-N 2.78Å; L231-F280 HydrophobicContact CB-CE1 3.97Å; L231-F280 HydrophobicContact CD2-CE1 4.46Å; L256-F280 HydrophobicContact CD1-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CB 4.44Å; I263-F280 HydrophobicContact CG2-CD2 3.83Å; I263-F280 HydrophobicContact CG2-CE2 4.48Å; I263-F280 HydrophobicContact CG2-CG 4.37Å; K264-F280 VanDerWaalsContact O-CA 3.24Å; K264-F280 WeakPolarHBondContact O-CA 3.21Å; K264-F280 WeakPolarHBondContact O-CB 3.38Å; V265-F280 HydrophobicContact CG2-CB 4.36Å; F280-V282 HydrophobicContact CD2-CG2 4.32Å; F280-V282 HydrophobicContact CE2-CG2 4.09Å; F280-V296 HydrophobicContact CE2-CG1 4.34Å; F280-L300 HydrophobicContact CZ-CD1 4.1Å
281Y92.9Very high87Confident25 Ų2565.3 Ų65.310%0.09834%0.336CS..EExtended strand (participates in β ladder)trans-132.4161.9168.461.5-81.8000110.3R224 G227 L228 K264 Q283 V290R224-Y281 PolarHBondContact NH1-OH 2.98Å; G227-Y281 WeakPolarHBondContact O-CB 3.22Å; L228-Y281 HydrophobicContact CD2-CD1 3.88Å; L228-Y281 HydrophobicContact CD2-CG 4.43Å; K264-Y281 HydrophobicContact CB-CD1 4.17Å; K264-Y281 HydrophobicContact CB-CD2 4.39Å; K264-Y281 HydrophobicContact CB-CE1 3.6Å; K264-Y281 HydrophobicContact CB-CE2 3.87Å; K264-Y281 VanDerWaalsContact CB-CZ 3.43Å; K264-Y281 HydrophobicContact CG-CE2 4.05Å; K264-Y281 PolarHBondContact N-O 3.16Å; K264-Y281 PolarHBondContact O-N 2.83Å; Y281-Q283 HydrophobicContact CD2-CB 4.41Å; Y281-Q283 HydrophobicContact CE2-CB 4.26Å; Y281-V290 HydrophobicContact CD2-CG1 4.14Å; Y281-V290 HydrophobicContact CD2-CG2 4.21Å; Y281-V290 HydrophobicContact CG-CG1 4.49Å
282V92.1Very high87Confident2 Ų267.6 Ų67.61%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-114.2124.4177.6-171.80000108.6L256 V258 D262 I263 F280 L291 V296L256-V282 HydrophobicContact CD1-CG2 4.09Å; V258-V282 HydrophobicContact CB-CG1 4.47Å; V258-V282 HydrophobicContact CG1-CG1 4.15Å; V258-V282 HydrophobicContact CG2-CG1 4.26Å; D262-V282 HydrophobicContact CB-CG1 4.43Å; D262-V282 WeakPolarHBondContact O-CA 3.47Å; I263-V282 HydrophobicContact CG1-CG2 4.34Å; F280-V282 HydrophobicContact CD2-CG2 4.32Å; F280-V282 HydrophobicContact CE2-CG2 4.09Å; V282-L291 HydrophobicContact CB-CD1 4.02Å; V282-L291 HydrophobicContact CG1-CD1 3.73Å; V282-L291 PolarHBondContact O-N 3.05Å; V282-V296 HydrophobicContact CB-CG2 4.4Å; V282-V296 HydrophobicContact CG2-CG1 3.98Å; V282-V296 HydrophobicContact CG2-CG2 4.19Å
283Q90.3Very high87Confident48 Ų4864.7 Ų64.722%0.22433%0.325CS..BIsolated β-bridgetrans-109.9124.7179.9-179173-18.800109.2D262 Y281 F288D262-Q283 WeakPolarHBondContact CB-O 3.25Å; D262-Q283 PolarHBondContact O-N 2.64Å; Y281-Q283 HydrophobicContact CD2-CB 4.41Å; Y281-Q283 HydrophobicContact CE2-CB 4.26Å; Q283-F288 HydrophobicContact CG-CB 4.34Å; Q283-F288 HydrophobicContact CG-CD1 4.16Å; Q283-F288 VanDerWaalsContact NE2-CB 3.3Å; Q283-F288 VanDerWaalsContact NE2-CG 3.31Å
284S82.5Confident87Confident36 Ų3659.3 Ų59.325%0.25230%0.302SS..PPolyproline II helixtrans-72.6155.5176.553.20000112K289S284-K289 PolarHBondContact N-O 3.16Å; S284-K289 PolarHBondContact OG-N 2.7Å; S284-K289 PolarHBondContact OG-O 3.25Å
285R75.9Confident86.8Confident163 Ų16358.1 Ų58.162%0.61529%0.293SS*.SBendtrans-54.4160.5167.1-76.2-167.2-156.8171.39.9111.3L259 P287L259-R285 VanDerWaalsContact CD1-NH2 3.27Å; R285-P287 CarbonylContact O-C 3.46Å
286P75.3Confident86.7Confident98 Ų9858.2 Ų58.264%0.63629%0.293SS*.SBendtrans-48.2131.7-171.9-28.834.8000113.6F288P286-F288 HydrophobicContact CG-CE1 4.19Å; P286-F288 HydrophobicContact CG-CE2 4.29Å; P286-F288 HydrophobicContact CG-CZ 3.98Å
287P71.1Confident86.4Confident115 Ų11558.5 Ų58.575%0.74730%0.296SS*.SBendcis-76.3128.33.430.8-32.7000111.7R285 K289R285-P287 CarbonylContact O-C 3.46Å; P287-K289 VanDerWaalsContact C-N 3.32Å; P287-K289 PolarHBondContact O-N 2.81Å
288F74.4Confident86Confident148 Ų14864 Ų6465%0.64932%0.316SS*.  trans-55.485.9-176.5-68.4-60.2000112.9Q283 P286Q283-F288 HydrophobicContact CG-CB 4.34Å; Q283-F288 HydrophobicContact CG-CD1 4.16Å; Q283-F288 VanDerWaalsContact NE2-CB 3.3Å; Q283-F288 VanDerWaalsContact NE2-CG 3.31Å; P286-F288 HydrophobicContact CG-CE1 4.19Å; P286-F288 HydrophobicContact CG-CE2 4.29Å; P286-F288 HydrophobicContact CG-CZ 3.98Å
289K83.5Confident85.6Confident154 Ų15466.9 Ų66.967%0.6733%0.332SS*.  trans-110.6126.5179.7-170.9176.8-179.2179.40109.1S284 P287 L291S284-K289 PolarHBondContact N-O 3.16Å; S284-K289 PolarHBondContact OG-N 2.7Å; S284-K289 PolarHBondContact OG-O 3.25Å; P287-K289 VanDerWaalsContact C-N 3.32Å; P287-K289 PolarHBondContact O-N 2.81Å; K289-L291 PolarHBondContact O-N 3.01Å
290V84.6Confident85.4Confident44 Ų4466.5 Ų66.527%0.26733%0.329SS..BIsolated β-bridgetrans-70.2126.6172.9-177.10000108.4R224 Y281R224-V290 HydrophobicContact CG-CG2 4.45Å; Y281-V290 HydrophobicContact CD2-CG1 4.14Å; Y281-V290 HydrophobicContact CD2-CG2 4.21Å; Y281-V290 HydrophobicContact CG-CG1 4.49Å
291L87.4Confident85Confident62 Ų6270.9 Ų70.933%0.32535%0.35SS..PPolyproline II helixtrans-67.6150.2176.1-64.6179000110.2V282 K289 A293 V296V282-L291 HydrophobicContact CB-CD1 4.02Å; V282-L291 HydrophobicContact CG1-CD1 3.73Å; V282-L291 PolarHBondContact O-N 3.05Å; K289-L291 PolarHBondContact O-N 3.01Å; L291-A293 PolarHBondContact O-N 3.42Å; L291-V296 HydrophobicContact CB-CG2 3.85Å; L291-V296 HydrophobicContact CD1-CG2 4.32Å
292K88.6Confident84.5Confident160 Ų16073.5 Ų73.570%0.69636%0.364SS*.PPolyproline II helixtrans-66.7128.8177.1-69.9-178.1179176.80109.2A294 E295 V296K292-A294 PolarHBondContact O-N 2.64Å; K292-E295 PolarHBondContact O-N 3.06Å; K292-V296 PolarHBondContact O-N 3.09Å
293A88.5Confident84.2Confident0 Ų079 Ų790%038%0.384CS..Hα-helixtrans-56-38.4-178.300000112.6S226 L228 V229 L291 E295 V296 A297 T321 L325S226-A293 VanDerWaalsContact O-CB 3.26Å; S226-A293 WeakPolarHBondContact O-CB 3.3Å; S226-A293 PolarHBondContact O-N 2.83Å; L228-A293 VanDerWaalsContact O-CB 3.28Å; L228-A293 WeakPolarHBondContact O-CB 3.46Å; V229-A293 HydrophobicContact CG2-CB 3.87Å; L291-A293 PolarHBondContact O-N 3.42Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.89Å; A293-V296 PolarHBondContact O-N 2.88Å; A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.03Å; A293-T321 HydrophobicContact CB-CG2 3.69Å; A293-L325 HydrophobicContact CB-CD1 4.11Å
294A84.8Confident84Confident45 Ų4577.8 Ų77.837%0.37238%0.379SS..Hα-helixtrans-59.7-40.417900000112.8K292 R298K292-A294 PolarHBondContact O-N 2.64Å; A294-R298 VanDerWaalsContact O-CB 3.3Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 2.9Å
295E86.4Confident83.9Confident102 Ų10280.6 Ų80.648%0.47740%0.399SS..Hα-helixtrans-70.9-41.8179.7-175.5171.1-169.200111.5K292 A293 R298 N299K292-E295 PolarHBondContact O-N 3.06Å; A293-E295 VanDerWaalsContact C-N 3.33Å; A293-E295 PolarHBondContact O-N 2.89Å; E295-R298 PolarHBondContact O-N 3.26Å; E295-N299 WeakPolarHBondContact O-CB 3.15Å; E295-N299 VanDerWaalsContact O-CG 3.25Å; E295-N299 PolarHBondContact O-N 3.28Å; E295-N299 PolarHBondContact O-ND2 3.43Å
296V90.4Very high84.1Confident8 Ų880 Ų805%0.04840%0.401CS..Hα-helixtrans-62.5-48.8175.5179.10000110.5V229 L256 F280 V282 L291 K292 A293 R298 N299 L300V229-V296 HydrophobicContact CG2-CB 4.03Å; V229-V296 HydrophobicContact CG2-CG1 4Å; L256-V296 HydrophobicContact CD1-CG1 3.88Å; L256-V296 HydrophobicContact CD2-CG1 4.12Å; F280-V296 HydrophobicContact CE2-CG1 4.34Å; V282-V296 HydrophobicContact CB-CG2 4.4Å; V282-V296 HydrophobicContact CG2-CG1 3.98Å; V282-V296 HydrophobicContact CG2-CG2 4.19Å; L291-V296 HydrophobicContact CB-CG2 3.85Å; L291-V296 HydrophobicContact CD1-CG2 4.32Å; K292-V296 PolarHBondContact O-N 3.09Å; A293-V296 PolarHBondContact O-N 2.88Å; V296-R298 PolarHBondContact O-N 2.75Å; V296-N299 PolarHBondContact O-N 3.17Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 PolarHBondContact O-N 3.03Å
297A89.3Confident83.7Confident7 Ų779.3 Ų79.36%0.05839%0.389CS..Hα-helixtrans-60-44.4179.100000111.8A293 L300 H301 V319 T321A293-A297 VanDerWaalsContact O-CB 3.3Å; A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.03Å; A297-L300 PolarHBondContact O-N 3.08Å; A297-H301 PolarHBondContact O-CD2 2.99Å; A297-H301 PolarHBondContact O-N 2.8Å; A297-V319 HydrophobicContact CB-CG1 4.17Å; A297-T321 HydrophobicContact CB-CG2 4.39Å
298R85.1Confident83.4Confident117 Ų11781.5 Ų81.544%0.44239%0.387SS..Hα-helixtrans-63.4-44.7177.4-168.8-175.170.9136.41.1112.4A294 E295 V296 L300 H301 M302A294-R298 VanDerWaalsContact O-CB 3.3Å; A294-R298 WeakPolarHBondContact O-CB 3.49Å; A294-R298 PolarHBondContact O-N 2.9Å; E295-R298 PolarHBondContact O-N 3.26Å; V296-R298 PolarHBondContact O-N 2.75Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.85Å; R298-H301 PolarHBondContact O-N 2.95Å; R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 PolarHBondContact O-N 3.01Å
299N87.6Confident82.8Confident61 Ų6176.8 Ų76.833%0.32638%0.375SS..Hα-helixtrans-61.6-40.7176.9-74.9-17.4000111.2L256 E295 V296 M302 R303L256-N299 HydrophobicContact CD2-CB 4.28Å; E295-N299 WeakPolarHBondContact O-CB 3.15Å; E295-N299 VanDerWaalsContact O-CG 3.25Å; E295-N299 PolarHBondContact O-N 3.28Å; E295-N299 PolarHBondContact O-ND2 3.43Å; V296-N299 PolarHBondContact O-N 3.17Å; N299-M302 PolarHBondContact O-N 3.38Å; N299-R303 WeakPolarHBondContact O-CB 3.45Å; N299-R303 VanDerWaalsContact O-CG 3.23Å; N299-R303 WeakPolarHBondContact O-CG 3.36Å; N299-R303 PolarHBondContact O-N 2.99Å
300L88.7Confident82.1Confident0 Ų076.3 Ų76.30%038%0.38CS..Hα-helixtrans-68.7-42.7-179.5-151.8142.5000111.4L231 L252 L256 F280 V296 A297 R298 M302 R303 L304 V319L231-L300 HydrophobicContact CD1-CD2 4.31Å; L252-L300 HydrophobicContact CD2-CD1 4.01Å; L256-L300 HydrophobicContact CD1-CD1 4.08Å; L256-L300 HydrophobicContact CD2-CB 4.22Å; L256-L300 HydrophobicContact CD2-CD1 4.04Å; L256-L300 HydrophobicContact CD2-CG 4.44Å; L256-L300 HydrophobicContact CG-CD1 4.16Å; F280-L300 HydrophobicContact CZ-CD1 4.1Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.47Å; V296-L300 PolarHBondContact O-N 3.03Å; A297-L300 PolarHBondContact O-N 3.08Å; R298-L300 VanDerWaalsContact C-N 3.28Å; R298-L300 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.32Å; L300-R303 PolarHBondContact O-N 2.79Å; L300-L304 HydrophobicContact CD2-CD1 3.43Å; L300-L304 VanDerWaalsContact CD2-CD1 3.43Å; L300-L304 HydrophobicContact CD2-CG 4.06Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3Å; L300-V319 HydrophobicContact CB-CG1 4.42Å; L300-V319 HydrophobicContact CD2-CB 4.4Å; L300-V319 HydrophobicContact CD2-CG1 3.95Å; L300-V319 HydrophobicContact CD2-CG2 3.57Å
301H86.1Confident82Confident94 Ų9477.9 Ų77.944%0.43538%0.383SS..Hα-helixtrans-57.3-46.8170.9-90.1-61.4000112.5A297 R298 R303 S305 V319A297-H301 PolarHBondContact O-CD2 2.99Å; A297-H301 PolarHBondContact O-N 2.8Å; R298-H301 PolarHBondContact O-N 2.95Å; H301-R303 VanDerWaalsContact C-N 3.34Å; H301-R303 PolarHBondContact O-N 3.45Å; H301-S305 WeakPolarHBondContact O-CB 3.29Å; H301-S305 PolarHBondContact O-N 2.95Å; H301-S305 VanDerWaalsContact O-N 3.08Å; H301-S305 PolarHBondContact O-OG 3Å; H301-V319 PolarHBondContact NE2-O 2.93Å
302M82.4Confident81.9Confident80 Ų8075.4 Ų75.439%0.39437%0.37SS..Hα-helixtrans-66.8-35.3-179.4-163.5-166.9-55.500112.5R298 N299 L300 S305 K306R298-M302 WeakPolarHBondContact O-CB 3.44Å; R298-M302 PolarHBondContact O-N 3.01Å; N299-M302 PolarHBondContact O-N 3.38Å; L300-M302 PolarHBondContact O-N 3.32Å; M302-S305 WeakPolarHBondContact CA-OG 3.45Å; M302-S305 PolarHBondContact O-OG 2.92Å; M302-K306 HydrophobicContact CG-CD 4.49Å; M302-K306 WeakPolarHBondContact O-CB 3.31Å; M302-K306 VanDerWaalsContact O-CG 3.31Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K306 PolarHBondContact O-N 2.77Å
303R85.8Confident81.8Confident117 Ų11771.5 Ų71.544%0.44236%0.357SS..Hα-helixtrans-75.5-45.4178.9-72.7-75.4-177.6174.21.6111.9L255 N299 L300 H301 S305 K306 E307L255-R303 HydrophobicContact CD2-CB 4.27Å; N299-R303 WeakPolarHBondContact O-CB 3.45Å; N299-R303 VanDerWaalsContact O-CG 3.23Å; N299-R303 WeakPolarHBondContact O-CG 3.36Å; N299-R303 PolarHBondContact O-N 2.99Å; L300-R303 PolarHBondContact O-N 2.79Å; H301-R303 VanDerWaalsContact C-N 3.34Å; H301-R303 PolarHBondContact O-N 3.45Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 3.06Å; R303-K306 PolarHBondContact O-N 2.75Å; R303-K306 VanDerWaalsContact O-N 3.14Å; R303-E307 IonicContact NH1-OE1 2.6Å; R303-E307 PolarHBondContact NH1-OE1 3.32Å; R303-E307 VanDerWaalsContact NH1-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 PolarHBondContact O-N 3.06Å
304L85.3Confident81.8Confident23 Ų2372.6 Ų72.612%0.1236%0.361CS..Hα-helixtrans-63.9-34.1178.1-71.1179.8000113L255 L300 L312 V316 V319L255-L304 HydrophobicContact CD1-CD2 3.81Å; L300-L304 HydrophobicContact CD2-CD1 3.43Å; L300-L304 VanDerWaalsContact CD2-CD1 3.43Å; L300-L304 HydrophobicContact CD2-CG 4.06Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 3Å; L304-L312 HydrophobicContact CD2-CD1 3.63Å; L304-L312 HydrophobicContact CD2-CG 4.27Å; L304-V316 HydrophobicContact CD1-CB 4.01Å; L304-V316 HydrophobicContact CD1-CG1 3.93Å; L304-V316 HydrophobicContact CD1-CG2 3.91Å; L304-V319 HydrophobicContact CD1-CG2 4.18Å
305S81Confident82.1Confident94 Ų9476.4 Ų76.466%0.65737%0.369SS*.Hα-helixtrans-70.2-33.4174.351.60000112.9H301 M302 R303H301-S305 WeakPolarHBondContact O-CB 3.29Å; H301-S305 PolarHBondContact O-N 2.95Å; H301-S305 VanDerWaalsContact O-N 3.08Å; H301-S305 PolarHBondContact O-OG 3Å; M302-S305 WeakPolarHBondContact CA-OG 3.45Å; M302-S305 PolarHBondContact O-OG 2.92Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 3.06Å
306K79.2Confident82.2Confident152 Ų15272.8 Ų72.866%0.66136%0.355SS*.Hα-helixtrans-82-43-179.7-76.2178.6178.9176.90114M302 R303 K308M302-K306 HydrophobicContact CG-CD 4.49Å; M302-K306 WeakPolarHBondContact O-CB 3.31Å; M302-K306 VanDerWaalsContact O-CG 3.31Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K306 PolarHBondContact O-N 2.77Å; R303-K306 PolarHBondContact O-N 2.75Å; R303-K306 VanDerWaalsContact O-N 3.14Å; K306-K308 VanDerWaalsContact C-N 3.31Å; K306-K308 PolarHBondContact O-N 3.15Å
307E68.6Low82.1Confident82 Ų8276.7 Ų76.738%0.38337%0.374SS..SBendtrans-89.57.3-169.5-69.1178.6-162.600113.8L255 R303L255-E307 WeakPolarHBondContact CD2-OE2 3.48Å; R303-E307 IonicContact NH1-OE1 2.6Å; R303-E307 PolarHBondContact NH1-OE1 3.32Å; R303-E307 VanDerWaalsContact NH1-OE1 3.11Å; R303-E307 WeakPolarHBondContact O-CB 3.43Å; R303-E307 PolarHBondContact O-N 3.06Å
308K63.2Low82Confident162 Ų16281.2 Ų81.270%0.70439%0.39SS*.  trans62.8143.7-169.7-60.5-179.8178179.10112.1K306 D310K306-K308 VanDerWaalsContact C-N 3.31Å; K306-K308 PolarHBondContact O-N 3.15Å; K308-D310 PolarHBondContact O-N 3.2Å
309A62.8Low82.2Confident48 Ų4875.8 Ų75.840%0.39737%0.37SS..THydrogen-bonded Turntrans-63.9-3-17200000115.6
310D68.8Low82.2Confident145 Ų14574.3 Ų74.378%0.77536%0.362SS*.THydrogen-bonded Turntrans-91.7-3.9-173.4-59.2-28.1000114K308 L312K308-D310 PolarHBondContact O-N 3.2Å; D310-L312 VanDerWaalsContact C-N 3.3Å; D310-L312 PolarHBondContact O-N 2.95Å
311F81.2Confident82.2Confident77 Ų7775.3 Ų75.334%0.33837%0.368SS..SBendtrans-66.2-33.8177.7-177.8-94.6000112.6Q251 V254 L255Q251-F311 HydrophobicContact CB-CD1 4.38Å; Q251-F311 HydrophobicContact CB-CE1 3.9Å; Q251-F311 HydrophobicContact CG-CE1 4.35Å; Q251-F311 PolarHBondContact NE2-O 3.12Å; Q251-F311 VanDerWaalsContact NE2-O 3.09Å; Q251-F311 WeakPolarHBondContact O-CE1 3.24Å; V254-F311 HydrophobicContact CB-CE1 4.43Å; V254-F311 HydrophobicContact CB-CZ 4.17Å; V254-F311 HydrophobicContact CG1-CE1 4.45Å; V254-F311 HydrophobicContact CG1-CZ 3.83Å; L255-F311 HydrophobicContact CD1-CD1 3.88Å; L255-F311 HydrophobicContact CD1-CE1 4.31Å; L255-F311 HydrophobicContact CD2-CD1 3.78Å; L255-F311 HydrophobicContact CD2-CE1 4.1Å; L255-F311 HydrophobicContact CD2-CG 4.37Å; L255-F311 HydrophobicContact CG-CD1 3.68Å; L255-F311 HydrophobicContact CG-CE1 3.74Å
312L86.1Confident82.2Confident9 Ų971.6 Ų71.65%0.04735%0.354CS..SBendtrans-84145.2177.6-71.7172.2000110.8Q251 L252 L255 L304 D310 F314 V316Q251-L312 HydrophobicContact CB-CD2 3.67Å; L252-L312 HydrophobicContact CD2-CD1 4.15Å; L252-L312 HydrophobicContact CD2-CD2 3.94Å; L252-L312 HydrophobicContact CG-CD2 4.09Å; L255-L312 HydrophobicContact CD1-CD1 4.09Å; L255-L312 HydrophobicContact CD1-CD2 3.88Å; L255-L312 HydrophobicContact CD1-CG 3.9Å; L304-L312 HydrophobicContact CD2-CD1 3.63Å; L304-L312 HydrophobicContact CD2-CG 4.27Å; D310-L312 VanDerWaalsContact C-N 3.3Å; D310-L312 PolarHBondContact O-N 2.95Å; L312-F314 WeakPolarHBondContact CB-O 3.42Å; L312-F314 PolarHBondContact O-N 2.9Å; L312-F314 VanDerWaalsContact O-N 3.07Å; L312-V316 HydrophobicContact CD1-CG2 3.29Å
313L86.2Confident82.2Confident79 Ų7968.2 Ų68.241%0.41434%0.339SS..SBendtrans-53.6-30.6177.2-178.264.1000113R244R244-L313 HydrophobicContact CB-CD2 3.86Å; R244-L313 HydrophobicContact CG-CD2 3.97Å
314F89.4Confident82Confident23 Ų2364.8 Ų64.810%0.10133%0.333CS..SBendtrans-126.2147.1177.3-49.2-70.8000110.5L233 V235 L240 R244 L248 L312 V316L233-F314 HydrophobicContact CB-CB 4.31Å; L233-F314 HydrophobicContact CD1-CD2 4.14Å; L233-F314 HydrophobicContact CD2-CB 4.41Å; V235-F314 HydrophobicContact CB-CD1 3.72Å; V235-F314 HydrophobicContact CB-CE1 4.01Å; V235-F314 HydrophobicContact CB-CG 4.09Å; V235-F314 HydrophobicContact CG1-CB 4.44Å; V235-F314 HydrophobicContact CG1-CD1 4.05Å; V235-F314 HydrophobicContact CG1-CD2 4.16Å; V235-F314 HydrophobicContact CG1-CE1 4.32Å; V235-F314 HydrophobicContact CG1-CE2 4.42Å; V235-F314 HydrophobicContact CG1-CG 3.95Å; V235-F314 HydrophobicContact CG1-CZ 4.47Å; V235-F314 HydrophobicContact CG2-CD1 3.89Å; V235-F314 HydrophobicContact CG2-CE1 3.64Å; V235-F314 HydrophobicContact CG2-CZ 4.17Å; L240-F314 HydrophobicContact CD1-CD2 4.42Å; L240-F314 HydrophobicContact CD1-CE2 3.49Å; L240-F314 VanDerWaalsContact CD1-CE2 3.49Å; L240-F314 HydrophobicContact CD1-CZ 3.94Å; R244-F314 HydrophobicContact CB-CE2 4.43Å; R244-F314 HydrophobicContact CB-CZ 4.07Å; R244-F314 HydrophobicContact CG-CZ 4.48Å; L248-F314 HydrophobicContact CD1-CD2 3.66Å; L248-F314 HydrophobicContact CD1-CE2 4.26Å; L312-F314 WeakPolarHBondContact CB-O 3.42Å; L312-F314 PolarHBondContact O-N 2.9Å; L312-F314 VanDerWaalsContact O-N 3.07Å; F314-V316 PolarHBondContact O-N 3.02Å
315K89.8Confident81.7Confident124 Ų12467.1 Ų67.154%0.53935%0.345SS..  trans-65125.5174.5-175.7171173.7-173.70110.4Q234Q234-K315 HydrophobicContact CB-CB 4.27Å; Q234-K315 PolarHBondContact N-O 3.2Å
316V90.1Very high81.6Confident27 Ų2765 Ų6516%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-79.8123.6174.8179.30000109.2L231 L233 L304 L312 F314 V319L231-V316 HydrophobicContact CD1-CB 4.39Å; L231-V316 HydrophobicContact CD1-CG1 3.49Å; L231-V316 VanDerWaalsContact CD1-CG1 3.49Å; L231-V316 HydrophobicContact CD1-CG2 3.98Å; L233-V316 HydrophobicContact CD2-CG2 3.86Å; L304-V316 HydrophobicContact CD1-CB 4.01Å; L304-V316 HydrophobicContact CD1-CG1 3.93Å; L304-V316 HydrophobicContact CD1-CG2 3.91Å; L312-V316 HydrophobicContact CD1-CG2 3.29Å; F314-V316 PolarHBondContact O-N 3.02Å; V316-V319 HydrophobicContact CG1-CG2 3.7Å
317L88.3Confident81.6Confident89 Ų8966.8 Ų66.847%0.46633%0.334SS..EExtended strand (participates in β ladder)trans-89.2-40.9175.4-63.1177.4000111.2T232 Q234T232-L317 HydrophobicContact CG2-CB 4.22Å; T232-L317 HydrophobicContact CG2-CD1 4.25Å; T232-L317 PolarHBondContact O-N 2.89Å; Q234-L317 HydrophobicContact CB-CD1 4.01Å; Q234-L317 HydrophobicContact CB-CD2 4.02Å; Q234-L317 HydrophobicContact CB-CG 3.95Å; Q234-L317 HydrophobicContact CG-CD1 4.44Å; Q234-L317 HydrophobicContact CG-CD2 4.44Å
318R87.3Confident82.3Confident102 Ų10263.1 Ų63.139%0.38532%0.317SS..EExtended strand (participates in β ladder)trans-156.8148-175.4-153.3167.468-172.411.9112T232 D320T232-R318 PolarHBondContact N-O 2.78Å; T232-R318 PolarHBondContact O-N 2.9Å; R318-D320 WeakPolarHBondContact CD-OD2 3.48Å; R318-D320 IonicContact CZ-OD2 2.79Å; R318-D320 IonicContact NE-OD1 3.74Å; R318-D320 IonicContact NE-OD2 3.76Å; R318-D320 PolarHBondContact NE-OD2 2.86Å; R318-D320 IonicContact NH2-OD2 3.11Å; R318-D320 PolarHBondContact NH2-OD2 3.06Å; R318-D320 VanDerWaalsContact NH2-OD2 3.11Å
319V89.2Confident83.3Confident4 Ų457.8 Ų57.82%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-130.2113.8173.8-172.20000107.4V229 L231 A297 L300 H301 L304 V316V229-V319 HydrophobicContact CG1-CG1 4.01Å; L231-V319 HydrophobicContact CD1-CG2 3.72Å; A297-V319 HydrophobicContact CB-CG1 4.17Å; L300-V319 HydrophobicContact CB-CG1 4.42Å; L300-V319 HydrophobicContact CD2-CB 4.4Å; L300-V319 HydrophobicContact CD2-CG1 3.95Å; L300-V319 HydrophobicContact CD2-CG2 3.57Å; H301-V319 PolarHBondContact NE2-O 2.93Å; L304-V319 HydrophobicContact CD1-CG2 4.18Å; V316-V319 HydrophobicContact CG1-CG2 3.7Å
320D87.8Confident84.3Confident30 Ų3058.7 Ų58.716%0.1631%0.314CS..EExtended strand (participates in β ladder)trans-130.8170.3-179.5-57.9-44.1000111.1V229 E230 R318 K339V229-D320 CarbonylContact C-O 3.52Å; V229-D320 WeakPolarHBondContact CA-O 3.29Å; V229-D320 WeakPolarHBondContact CG1-O 3.3Å; E230-D320 PolarHBondContact N-O 3.35Å; E230-D320 PolarHBondContact O-N 3.19Å; R318-D320 WeakPolarHBondContact CD-OD2 3.48Å; R318-D320 IonicContact CZ-OD2 2.79Å; R318-D320 IonicContact NE-OD1 3.74Å; R318-D320 IonicContact NE-OD2 3.76Å; R318-D320 PolarHBondContact NE-OD2 2.86Å; R318-D320 IonicContact NH2-OD2 3.11Å; R318-D320 PolarHBondContact NH2-OD2 3.06Å; R318-D320 VanDerWaalsContact NH2-OD2 3.11Å; D320-K339 HydrophobicContact CB-CG 4.29Å
321T88.6Confident85.2Confident20 Ų2055.2 Ų55.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-86.9143.3164.759.20000110.3A293 A297 G323 L325A293-T321 HydrophobicContact CB-CG2 3.69Å; A297-T321 HydrophobicContact CB-CG2 4.39Å; T321-G323 CarbonylContact C-O 3.5Å; T321-G323 WeakPolarHBondContact CB-O 3.5Å; T321-G323 PolarHBondContact O-N 3.15Å; T321-G323 PolarHBondContact OG1-O 3.33Å; T321-L325 HydrophobicContact CG2-CD1 4.29Å
322A84.6Confident85.4Confident17 Ų1752.9 Ų52.914%0.1429%0.291CS..SBendtrans-65-42.3-178.500000112.2L228 E230 V279 K339L228-A322 HydrophobicContact CB-CB 3.52Å; L228-A322 HydrophobicContact CD1-CB 4.36Å; L228-A322 PolarHBondContact O-N 2.82Å; E230-A322 HydrophobicContact CG-CB 3.76Å; V279-A322 HydrophobicContact CG1-CB 4.34Å; A322-K339 PolarHBondContact O-NZ 2.81Å
323G82.4Confident85.5Confident8 Ų858.3 Ų58.38%0.08232%0.316CS..SBendtrans-83.8154166.800000111.7T321 L325T321-G323 CarbonylContact C-O 3.5Å; T321-G323 WeakPolarHBondContact CB-O 3.5Å; T321-G323 PolarHBondContact O-N 3.15Å; T321-G323 PolarHBondContact OG1-O 3.33Å; G323-L325 PolarHBondContact O-N 2.77Å
324C82Confident85.5Confident46 Ų4655.3 Ų55.331%0.31130%0.302SS..  trans-73.7105.5162.3163.40000108.6C334C324-C334 VanDerWaalsContact CA-SG 3.6Å; C324-C334 HydrophobicContact CB-CB 4.33Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.29Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 PolarHBondContact SG-O 3.39Å; C324-C334 CovalentContact SG-SG 1.99Å; C324-C334 PolarHBondContact SG-SG 3.44Å
325L79.4Confident85.3Confident72 Ų7255.6 Ų55.638%0.37730%0.304SS..  trans-111.10.3-177.8-62175.1000113.2S226 A293 T321 G323 K327S226-L325 VanDerWaalsContact O-CD1 3.28Å; S226-L325 WeakPolarHBondContact O-CD1 3.39Å; A293-L325 HydrophobicContact CB-CD1 4.11Å; T321-L325 HydrophobicContact CG2-CD1 4.29Å; G323-L325 PolarHBondContact O-N 2.77Å; L325-K327 PolarHBondContact O-N 3.31Å
326L78.9Confident84.9Confident50 Ų5053.9 Ų53.926%0.26231%0.306SS..  trans-70.6126178-66.2169000109.5C328 C334 K339L326-C328 PolarHBondContact O-N 2.82Å; L326-C334 HydrophobicContact CB-CB 3.91Å; L326-K339 WeakPolarHBondContact CD1-O 3.29Å
327K78.9Confident84.5Confident189 Ų18959.6 Ų59.682%0.82233%0.334SS*.  trans-76.1-8.6177-66.8-173.5177.3-175.80113.6L325 S329 G330L325-K327 PolarHBondContact O-N 3.31Å; K327-S329 PolarHBondContact O-N 2.92Å; K327-G330 PolarHBondContact O-N 2.72Å
328C84.1Confident84.1Confident5 Ų558.8 Ų58.83%0.03433%0.333CS..G310 helixtrans44.838.1-178.9-53.50000113.5L326 G330 H331 C334 C341 C363L326-C328 PolarHBondContact O-N 2.82Å; C328-G330 PolarHBondContact O-N 2.82Å; C328-H331 PolarHBondContact O-N 3.24Å; C328-C334 WeakPolarHBondContact SG-CB 3.49Å; C328-C341 WeakPolarHBondContact CA-SG 3.32Å; C328-C341 HydrophobicContact CB-CB 3.71Å; C328-C341 WeakPolarHBondContact CB-SG 3.45Å; C328-C341 WeakPolarHBondContact SG-CA 3.37Å; C328-C341 WeakPolarHBondContact SG-CB 3.37Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.42Å; C328-C363 WeakPolarHBondContact O-CB 3.34Å
329S84.3Confident84Confident49 Ų4955.6 Ų55.634%0.34332%0.322SS..G310 helixtrans54.219.6-180-46.90000115.2K327 H331 E364K327-S329 PolarHBondContact O-N 2.92Å; S329-H331 PolarHBondContact O-CD2 2.8Å; S329-H331 VanDerWaalsContact O-CD2 3.26Å; S329-H331 PolarHBondContact O-N 3.01Å; S329-E364 WeakPolarHBondContact OG-CG 3.47Å
330G83.4Confident83.7Confident67 Ų6761.6 Ų61.669%0.69135%0.345SS*.G310 helixtrans74.82.8-175.700000115K327 C328K327-G330 PolarHBondContact O-N 2.72Å; C328-G330 PolarHBondContact O-N 2.82Å
331H86.5Confident83.7Confident72 Ų7260.5 Ų60.533%0.33334%0.339SS..SBendtrans-119.323.5-173.7-64.1-55.1000113.3C328 S329 S344 W347 C363C328-H331 PolarHBondContact O-N 3.24Å; S329-H331 PolarHBondContact O-CD2 2.8Å; S329-H331 VanDerWaalsContact O-CD2 3.26Å; S329-H331 PolarHBondContact O-N 3.01Å; H331-S344 WeakPolarHBondContact O-CB 3.39Å; H331-S344 PolarHBondContact O-N 3.33Å; H331-S344 PolarHBondContact O-OG 3.2Å; H331-W347 HydrophobicContact CB-CB 4.13Å; H331-W347 HydrophobicContact CB-CD2 3.63Å; H331-W347 HydrophobicContact CB-CE3 4.19Å; H331-W347 HydrophobicContact CB-CG 3.58Å; H331-W347 AromaticContact CD2-CD2 3.79Å; H331-W347 AromaticContact CD2-CE2 3.67Å; H331-W347 AromaticContact CD2-CE3 3.75Å; H331-W347 AromaticContact CD2-CH2 3.52Å; H331-W347 AromaticContact CD2-CZ2 3.56Å; H331-W347 AromaticContact CD2-CZ3 3.62Å; H331-W347 AromaticContact CE1-CE2 3.8Å; H331-W347 AromaticContact CE1-CH2 3.93Å; H331-W347 AromaticContact CE1-CZ2 3.4Å; H331-W347 VanDerWaalsContact CE1-CZ2 3.4Å; H331-W347 WeakPolarHBondContact CE1-CZ2 3.47Å; H331-W347 AromaticContact CG-CD2 3.58Å; H331-W347 AromaticContact CG-CE2 3.4Å; H331-W347 VanDerWaalsContact CG-CE2 3.4Å; H331-W347 AromaticContact CG-CZ2 3.72Å; H331-W347 AromaticContact CG-NE1 3.72Å; H331-W347 AromaticContact ND1-CE2 3.49Å; H331-W347 AromaticContact ND1-CZ2 3.62Å; H331-W347 AromaticContact ND1-NE1 3.57Å; H331-W347 AromaticContact NE2-CE2 3.92Å; H331-W347 AromaticContact NE2-CH2 3.39Å; H331-W347 WeakPolarHBondContact NE2-CH2 3.48Å; H331-W347 AromaticContact NE2-CZ2 3.37Å; H331-W347 WeakPolarHBondContact NE2-CZ2 3.46Å; H331-W347 AromaticContact NE2-CZ3 3.97Å; H331-C363 HydrophobicContact CB-CB 4.39Å
332G86.2Confident83.6Confident29 Ų2963.4 Ų63.430%0.29935%0.353SS..EExtended strand (participates in β ladder)trans-170.8179.6176.800000111.5I342G332-I342 VanDerWaalsContact CA-O 3.26Å; G332-I342 WeakPolarHBondContact CA-O 3.41Å
333H87.5Confident83.9Confident123 Ų12364.1 Ų64.157%0.56936%0.356SS*.EExtended strand (participates in β ladder)trans-117.2148.8168.760.234.3000108.8I342H333-I342 PolarHBondContact N-O 3.3Å; H333-I342 VanDerWaalsContact N-O 3.12Å; H333-I342 PolarHBondContact O-N 3.43Å
334C86.4Confident84.2Confident16 Ų1666.2 Ų66.211%0.10837%0.37CS..EExtended strand (participates in β ladder)trans-92.9135.9173.8137.60000110.5C324 L326 C328 R340C324-C334 VanDerWaalsContact CA-SG 3.6Å; C324-C334 HydrophobicContact CB-CB 4.33Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.29Å; C324-C334 WeakPolarHBondContact SG-CB 3.47Å; C324-C334 PolarHBondContact SG-O 3.39Å; C324-C334 CovalentContact SG-SG 1.99Å; C324-C334 PolarHBondContact SG-SG 3.44Å; L326-C334 HydrophobicContact CB-CB 3.91Å; C328-C334 WeakPolarHBondContact SG-CB 3.49Å; C334-R340 WeakPolarHBondContact CA-O 3.5Å
335D86.1Confident84.5Confident28 Ų2873 Ų7315%0.1540%0.397CS..  trans-80.2126.1-175.2170.117.1000110.1L337 T338 K339 R340 I342D335-L337 PolarHBondContact O-N 3.5Å; D335-L337 PolarHBondContact OD1-N 2.7Å; D335-T338 WeakPolarHBondContact CB-OG1 3.21Å; D335-T338 WeakPolarHBondContact OD2-CB 3.42Å; D335-T338 VanDerWaalsContact OD2-CG2 3.28Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.33Å; D335-T338 PolarHBondContact OD2-N 3.42Å; D335-T338 VanDerWaalsContact OD2-N 3.15Å; D335-T338 PolarHBondContact OD2-OG1 3.35Å; D335-K339 WeakPolarHBondContact O-CA 3.29Å; D335-K339 PolarHBondContact O-N 2.99Å; D335-R340 PolarHBondContact N-O 3.33Å; D335-I342 HydrophobicContact CB-CD1 3.71Å; D335-I342 HydrophobicContact CB-CG1 4.11Å
336P81.4Confident84.9Confident89 Ų8975.5 Ų75.558%0.57841%0.41SS*.THydrogen-bonded Turntrans-64.9-19.818027.5-36.6000114.2K339P336-K339 WeakPolarHBondContact O-CD 3.16Å; P336-K339 WeakPolarHBondContact O-CE 3.49Å; P336-K339 PolarHBondContact O-NZ 2.9Å
337L80.4Confident85.5Confident146 Ų14676.7 Ų76.776%0.76441%0.411SS*.THydrogen-bonded Turntrans-88.9-58-179.5-78.7140.7000112.2D335 K339D335-L337 PolarHBondContact O-N 3.5Å; D335-L337 PolarHBondContact OD1-N 2.7Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 2.76Å
338T81.7Confident85.9Confident73 Ų7370.3 Ų70.345%0.44839%0.385SS..THydrogen-bonded Turntrans-77.7-14.2-179.360.30000113.2D335 R340D335-T338 WeakPolarHBondContact CB-OG1 3.21Å; D335-T338 WeakPolarHBondContact OD2-CB 3.42Å; D335-T338 VanDerWaalsContact OD2-CG2 3.28Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.33Å; D335-T338 PolarHBondContact OD2-N 3.42Å; D335-T338 VanDerWaalsContact OD2-N 3.15Å; D335-T338 PolarHBondContact OD2-OG1 3.35Å; T338-R340 PolarHBondContact O-N 2.86Å; T338-R340 PolarHBondContact OG1-N 2.87Å
339K83.4Confident85.9Confident35 Ų3572.1 Ų72.115%0.15239%0.392CS..  trans55.823.7-172.4-52-59.4-172.3-1700112.9D320 A322 L326 D335 P336 L337D320-K339 HydrophobicContact CB-CG 4.29Å; A322-K339 PolarHBondContact O-NZ 2.81Å; L326-K339 WeakPolarHBondContact CD1-O 3.29Å; D335-K339 WeakPolarHBondContact O-CA 3.29Å; D335-K339 PolarHBondContact O-N 2.99Å; P336-K339 WeakPolarHBondContact O-CD 3.16Å; P336-K339 WeakPolarHBondContact O-CE 3.49Å; P336-K339 PolarHBondContact O-NZ 2.9Å; L337-K339 VanDerWaalsContact C-N 3.27Å; L337-K339 PolarHBondContact O-N 2.76Å
340R83.3Confident85.9Confident130 Ų13070.5 Ų70.549%0.49138%0.38SS..SBendtrans-110.9155.8178.9-68.8177.8-176.4176.61.4111C334 D335 T338 S361C334-R340 WeakPolarHBondContact CA-O 3.5Å; D335-R340 PolarHBondContact N-O 3.33Å; T338-R340 PolarHBondContact O-N 2.86Å; T338-R340 PolarHBondContact OG1-N 2.87Å; R340-S361 VanDerWaalsContact CA-OG 3.29Å; R340-S361 WeakPolarHBondContact CA-OG 3.3Å
341C87.4Confident85.6Confident6 Ų672.1 Ų72.14%0.04137%0.373CS..EExtended strand (participates in β ladder)trans-73.5124.8171.9-740000110.6C328 S361C328-C341 WeakPolarHBondContact CA-SG 3.32Å; C328-C341 HydrophobicContact CB-CB 3.71Å; C328-C341 WeakPolarHBondContact CB-SG 3.45Å; C328-C341 WeakPolarHBondContact SG-CA 3.37Å; C328-C341 WeakPolarHBondContact SG-CB 3.37Å; C328-C341 CovalentContact SG-SG 2.03Å; C328-C341 PolarHBondContact SG-SG 3.42Å; C341-S361 PolarHBondContact N-OG 3.23Å; C341-S361 PolarHBondContact SG-O 3.4Å; C341-S361 VanDerWaalsContact SG-O 3.33Å
342I88.3Confident85Confident82 Ų8273 Ų7342%0.42138%0.379SS..EExtended strand (participates in β ladder)trans-96.9113.1165.6-59.7175.6000106.3G332 H333 D335G332-I342 VanDerWaalsContact CA-O 3.26Å; G332-I342 WeakPolarHBondContact CA-O 3.41Å; H333-I342 PolarHBondContact N-O 3.3Å; H333-I342 VanDerWaalsContact N-O 3.12Å; H333-I342 PolarHBondContact O-N 3.43Å; D335-I342 HydrophobicContact CB-CD1 3.71Å; D335-I342 HydrophobicContact CB-CG1 4.11Å
343C90Very high84.2Confident31 Ų3174.2 Ų74.221%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-76.7147.2-177.5-52.90000111.3W347 C363C343-W347 HydrophobicContact CB-CB 4.21Å; C343-W347 WeakPolarHBondContact CB-O 3.49Å; C343-C363 WeakPolarHBondContact CA-SG 3.46Å; C343-C363 HydrophobicContact CB-CB 3.74Å; C343-C363 WeakPolarHBondContact CB-SG 3.48Å; C343-C363 VanDerWaalsContact SG-CA 3.51Å; C343-C363 WeakPolarHBondContact SG-CB 3.04Å; C343-C363 CovalentContact SG-SG 2.04Å; C343-C363 PolarHBondContact SG-SG 2.93Å
344S89.3Confident83.3Confident52 Ų5272.5 Ų72.536%0.36437%0.365SS..  trans-65.4159.8170.659.60000111.1H331 L346 W347H331-S344 WeakPolarHBondContact O-CB 3.39Å; H331-S344 PolarHBondContact O-N 3.33Å; H331-S344 PolarHBondContact O-OG 3.2Å; S344-L346 PolarHBondContact O-N 3.33Å; S344-W347 PolarHBondContact O-N 3.47Å; S344-W347 VanDerWaalsContact O-O 3.09Å
345H87.9Confident82.4Confident189 Ų18981.9 Ų81.988%0.87540%0.4SS*.THydrogen-bonded Turntrans-50.7-25.6-167.1-69-74.5000117.3I367H345-I367 WeakPolarHBondContact O-CD1 3.46Å
346L88.5Confident81.2Confident125 Ų12586.3 Ų86.365%0.65442%0.422SS*.THydrogen-bonded Turntrans-102.51.3-177.7-65.2173.4000114S344 I367S344-L346 PolarHBondContact O-N 3.33Å; L346-I367 PolarHBondContact O-N 3.03Å
347W90.1Very high80.2Confident74 Ų7491.5 Ų91.528%0.2843%0.43SS..EExtended strand (participates in β ladder)trans-122.2148.4-175.6-62.384.8000109.9H331 C343 S344 E364 W365H331-W347 HydrophobicContact CB-CB 4.13Å; H331-W347 HydrophobicContact CB-CD2 3.63Å; H331-W347 HydrophobicContact CB-CE3 4.19Å; H331-W347 HydrophobicContact CB-CG 3.58Å; H331-W347 AromaticContact CD2-CD2 3.79Å; H331-W347 AromaticContact CD2-CE2 3.67Å; H331-W347 AromaticContact CD2-CE3 3.75Å; H331-W347 AromaticContact CD2-CH2 3.52Å; H331-W347 AromaticContact CD2-CZ2 3.56Å; H331-W347 AromaticContact CD2-CZ3 3.62Å; H331-W347 AromaticContact CE1-CE2 3.8Å; H331-W347 AromaticContact CE1-CH2 3.93Å; H331-W347 AromaticContact CE1-CZ2 3.4Å; H331-W347 VanDerWaalsContact CE1-CZ2 3.4Å; H331-W347 WeakPolarHBondContact CE1-CZ2 3.47Å; H331-W347 AromaticContact CG-CD2 3.58Å; H331-W347 AromaticContact CG-CE2 3.4Å; H331-W347 VanDerWaalsContact CG-CE2 3.4Å; H331-W347 AromaticContact CG-CZ2 3.72Å; H331-W347 AromaticContact CG-NE1 3.72Å; H331-W347 AromaticContact ND1-CE2 3.49Å; H331-W347 AromaticContact ND1-CZ2 3.62Å; H331-W347 AromaticContact ND1-NE1 3.57Å; H331-W347 AromaticContact NE2-CE2 3.92Å; H331-W347 AromaticContact NE2-CH2 3.39Å; H331-W347 WeakPolarHBondContact NE2-CH2 3.48Å; H331-W347 AromaticContact NE2-CZ2 3.37Å; H331-W347 WeakPolarHBondContact NE2-CZ2 3.46Å; H331-W347 AromaticContact NE2-CZ3 3.97Å; C343-W347 HydrophobicContact CB-CB 4.21Å; C343-W347 WeakPolarHBondContact CB-O 3.49Å; S344-W347 PolarHBondContact O-N 3.47Å; S344-W347 VanDerWaalsContact O-O 3.09Å; W347-E364 VanDerWaalsContact CZ3-O 3.31Å; W347-E364 WeakPolarHBondContact CZ3-O 3.14Å; W347-W365 CarbonylContact C-O 3.52Å; W347-W365 WeakPolarHBondContact CA-O 3.33Å
348M87.2Confident79.4Confident55 Ų5588.1 Ų88.127%0.27141%0.413SS..EExtended strand (participates in β ladder)trans-137.4164.1-179.963.4-177.9-63.400110.4L351 W365 I367 V370M348-L351 HydrophobicContact CE-CD1 4.36Å; M348-W365 HydrophobicContact CG-CB 3.8Å; M348-W365 PolarHBondContact N-O 2.94Å; M348-W365 PolarHBondContact O-N 3.46Å; M348-I367 HydrophobicContact CB-CD1 4.5Å; M348-I367 HydrophobicContact CB-CG1 3.93Å; M348-I367 HydrophobicContact CG-CG1 3.93Å; M348-I367 HydrophobicContact SD-CG1 3.97Å; M348-V370 HydrophobicContact SD-CB 4.15Å; M348-V370 HydrophobicContact SD-CG1 4.14Å; M348-V370 HydrophobicContact SD-CG2 4.08Å
349E84.9Confident78.6Confident43 Ų4387.1 Ų87.120%0.20142%0.417CS..  trans-66.4144.7178-61.9-177.3166.900112L351 R354 N362E349-L351 PolarHBondContact O-N 2.87Å; E349-L351 VanDerWaalsContact O-N 3.11Å; E349-R354 VanDerWaalsContact CD-NH1 3.28Å; E349-R354 IonicContact OE1-NH1 3.59Å; E349-R354 PolarHBondContact OE1-NH1 3.07Å; E349-R354 WeakPolarHBondContact OE2-CD 3.33Å; E349-R354 IonicContact OE2-CZ 2.64Å; E349-R354 IonicContact OE2-NE 2.72Å; E349-R354 IonicContact OE2-NH1 2.82Å; E349-R354 PolarHBondContact OE2-NH1 2.66Å; E349-N362 VanDerWaalsContact CA-O 3.25Å; E349-N362 WeakPolarHBondContact CA-O 3.42Å; E349-N362 WeakPolarHBondContact CG-O 3.31Å
350N83.3Confident78.1Confident15 Ų1589.5 Ų89.58%0.0843%0.429CS..  trans-7699.2172.3-174.9-21.3000109.2I352 Q353 R354 N362 E364 W365N350-I352 PolarHBondContact O-N 2.84Å; N350-I352 WeakPolarHBondContact OD1-CB 3.19Å; N350-I352 PolarHBondContact OD1-N 2.83Å; N350-I352 VanDerWaalsContact OD1-N 3.17Å; N350-Q353 HydrophobicContact CB-CB 4.09Å; N350-Q353 PolarHBondContact O-N 2.99Å; N350-Q353 PolarHBondContact OD1-N 3.47Å; N350-Q353 VanDerWaalsContact OD1-N 3.1Å; N350-R354 WeakPolarHBondContact O-CB 3.46Å; N350-R354 PolarHBondContact O-N 3.22Å; N350-N362 WeakPolarHBondContact CB-OD1 3.4Å; N350-N362 PolarHBondContact N-OD1 2.94Å; N350-E364 PolarHBondContact ND2-OE2 2.88Å; N350-W365 HydrophobicContact CB-CD2 4.33Å; N350-W365 HydrophobicContact CB-CG 4.24Å; N350-W365 VanDerWaalsContact CG-CE2 3.48Å; N350-W365 PolarHBondContact ND2-NE1 2.82Å; N350-W365 VanDerWaalsContact OD1-CE2 3.27Å; N350-W365 WeakPolarHBondContact OD1-CZ2 3.42Å; N350-W365 PolarHBondContact OD1-NE1 2.72Å
351L78.4Confident77.6Confident102 Ų10283.8 Ų83.853%0.53441%0.409SS..Hα-helixtrans-61.6-30.9-178.7-72.8162.4000112.7M348 E349 Y355 W365M348-L351 HydrophobicContact CE-CD1 4.36Å; E349-L351 PolarHBondContact O-N 2.87Å; E349-L351 VanDerWaalsContact O-N 3.11Å; L351-Y355 WeakPolarHBondContact O-CB 3.48Å; L351-Y355 PolarHBondContact O-N 2.84Å; L351-W365 HydrophobicContact CB-CZ3 4.3Å
352I73Confident77.4Confident90 Ų9084.2 Ų84.246%0.46241%0.411SS..Hα-helixtrans-68.2-50.9177.4-66.6176.5000109.2N350 R354 Y355 I356 W365N350-I352 PolarHBondContact O-N 2.84Å; N350-I352 WeakPolarHBondContact OD1-CB 3.19Å; N350-I352 PolarHBondContact OD1-N 2.83Å; N350-I352 VanDerWaalsContact OD1-N 3.17Å; I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 2.98Å; I352-Y355 PolarHBondContact O-N 2.74Å; I352-I356 HydrophobicContact CB-CD1 4.44Å; I352-I356 HydrophobicContact CG2-CB 4.49Å; I352-I356 HydrophobicContact CG2-CD1 3.91Å; I352-I356 WeakPolarHBondContact O-CA 3.38Å; I352-I356 VanDerWaalsContact O-CB 3.22Å; I352-I356 WeakPolarHBondContact O-CB 3.44Å; I352-I356 PolarHBondContact O-N 2.76Å; I352-W365 HydrophobicContact CB-CH2 4.46Å; I352-W365 HydrophobicContact CB-CZ2 4.21Å; I352-W365 HydrophobicContact CD1-CH2 3.79Å; I352-W365 HydrophobicContact CD1-CZ2 3.71Å; I352-W365 HydrophobicContact CG1-CH2 3.74Å; I352-W365 HydrophobicContact CG1-CZ2 3.86Å
353Q69.4Low77.3Confident54 Ų5480.3 Ų80.325%0.25239%0.391SS..Iπ-helixtrans-65.8-34.7-178.9-166.8160.70.400112.3N350 W357 D358 N362 E364N350-Q353 HydrophobicContact CB-CB 4.09Å; N350-Q353 PolarHBondContact O-N 2.99Å; N350-Q353 PolarHBondContact OD1-N 3.47Å; N350-Q353 VanDerWaalsContact OD1-N 3.1Å; Q353-W357 HydrophobicContact CG-CB 4.29Å; Q353-W357 PolarHBondContact O-N 2.87Å; Q353-D358 PolarHBondContact O-N 2.83Å; Q353-N362 PolarHBondContact OE1-ND2 3.13Å; Q353-E364 PolarHBondContact OE1-OE2 2.64Å
354R69.3Low77.2Confident88 Ų8883.4 Ų83.433%0.33240%0.402SS..Iπ-helixtrans-67.8-38.2176.5-174.7171.1176.9161.42.2113.4E349 N350 I352E349-R354 VanDerWaalsContact CD-NH1 3.28Å; E349-R354 IonicContact OE1-NH1 3.59Å; E349-R354 PolarHBondContact OE1-NH1 3.07Å; E349-R354 WeakPolarHBondContact OE2-CD 3.33Å; E349-R354 IonicContact OE2-CZ 2.64Å; E349-R354 IonicContact OE2-NE 2.72Å; E349-R354 IonicContact OE2-NH1 2.82Å; E349-R354 PolarHBondContact OE2-NH1 2.66Å; N350-R354 WeakPolarHBondContact O-CB 3.46Å; N350-R354 PolarHBondContact O-N 3.22Å; I352-R354 VanDerWaalsContact C-N 3.28Å; I352-R354 PolarHBondContact O-N 2.98Å
355Y66.6Low77.1Confident213 Ų21384.1 Ų84.184%0.83540%0.397SS*.Iπ-helixtrans-100.1-25.2-173.3-148.3-90.3000114L351 I352L351-Y355 WeakPolarHBondContact O-CB 3.48Å; L351-Y355 PolarHBondContact O-N 2.84Å; I352-Y355 PolarHBondContact O-N 2.74Å
356I61.8Low77.2Confident121 Ų12176 Ų7662%0.62136%0.362SS*.Iπ-helixtrans-110.1-26-170.9-63163000112.3I352I352-I356 HydrophobicContact CB-CD1 4.44Å; I352-I356 HydrophobicContact CG2-CB 4.49Å; I352-I356 HydrophobicContact CG2-CD1 3.91Å; I352-I356 WeakPolarHBondContact O-CA 3.38Å; I352-I356 VanDerWaalsContact O-CB 3.22Å; I352-I356 WeakPolarHBondContact O-CB 3.44Å; I352-I356 PolarHBondContact O-N 2.76Å
357W60.7Low77.2Confident197 Ų19773.1 Ų73.175%0.74635%0.346SS*.Iπ-helixtrans-118.6-96-167.9-138.4-69.3000114.1Q353Q353-W357 HydrophobicContact CG-CB 4.29Å; Q353-W357 PolarHBondContact O-N 2.87Å
358D62.1Low77Confident75 Ų7576.2 Ų76.240%0.40136%0.362SS..  trans-99.4-12.7-164.1-64.9-49.5000113.6Q353 E360Q353-D358 PolarHBondContact O-N 2.83Å; D358-E360 PolarHBondContact O-N 2.87Å
359G65.4Low77Confident52 Ų5281.8 Ų81.854%0.53638%0.381SS..  trans69.2-3.2-178.800000115.3
360E72.8Confident77.2Confident85 Ų8581.7 Ų81.740%0.39738%0.383SS..  trans-77.7139.7174.5-65.7-173174.700111.4D358D358-E360 PolarHBondContact O-N 2.87Å
361S73.9Confident77.3Confident11 Ų1183.8 Ų83.88%0.07740%0.396CS..  trans-76133.2175.859.10000111.1R340 C341R340-S361 VanDerWaalsContact CA-OG 3.29Å; R340-S361 WeakPolarHBondContact CA-OG 3.3Å; C341-S361 PolarHBondContact N-OG 3.23Å; C341-S361 PolarHBondContact SG-O 3.4Å; C341-S361 VanDerWaalsContact SG-O 3.33Å
362N83Confident77.8Confident15 Ų1582 Ų828%0.0839%0.39CS..  trans-134.7175.2176647.4000110.7E349 N350 Q353 E364E349-N362 VanDerWaalsContact CA-O 3.25Å; E349-N362 WeakPolarHBondContact CA-O 3.42Å; E349-N362 WeakPolarHBondContact CG-O 3.31Å; N350-N362 WeakPolarHBondContact CB-OD1 3.4Å; N350-N362 PolarHBondContact N-OD1 2.94Å; Q353-N362 PolarHBondContact OE1-ND2 3.13Å; N362-E364 HydrophobicContact CB-CG 4.36Å; N362-E364 PolarHBondContact ND2-OE2 2.89Å
363C86.4Confident78.6Confident0 Ų082.9 Ų82.90%040%0.395CS..  trans-131.448.4178.7-63.30000111.1C328 H331 C343C328-C363 WeakPolarHBondContact O-CB 3.34Å; H331-C363 HydrophobicContact CB-CB 4.39Å; C343-C363 WeakPolarHBondContact CA-SG 3.46Å; C343-C363 HydrophobicContact CB-CB 3.74Å; C343-C363 WeakPolarHBondContact CB-SG 3.48Å; C343-C363 VanDerWaalsContact SG-CA 3.51Å; C343-C363 WeakPolarHBondContact SG-CB 3.04Å; C343-C363 CovalentContact SG-SG 2.04Å; C343-C363 PolarHBondContact SG-SG 2.93Å
364E87.9Confident79.5Confident95 Ų9582.3 Ų82.344%0.44440%0.4SS..  trans-84.1-25.1-174.3-68.3-173.7156.600114S329 W347 N350 Q353 N362S329-E364 WeakPolarHBondContact OG-CG 3.47Å; W347-E364 VanDerWaalsContact CZ3-O 3.31Å; W347-E364 WeakPolarHBondContact CZ3-O 3.14Å; N350-E364 PolarHBondContact ND2-OE2 2.88Å; Q353-E364 PolarHBondContact OE1-OE2 2.64Å; N362-E364 HydrophobicContact CB-CG 4.36Å; N362-E364 PolarHBondContact ND2-OE2 2.89Å
365W86.8Confident80.6Confident68 Ų6884.8 Ų84.826%0.25841%0.413SS..EExtended strand (participates in β ladder)trans-89.9126.8-172.4-77.113.7000110.3W347 M348 N350 L351 I352 V370W347-W365 CarbonylContact C-O 3.52Å; W347-W365 WeakPolarHBondContact CA-O 3.33Å; M348-W365 HydrophobicContact CG-CB 3.8Å; M348-W365 PolarHBondContact N-O 2.94Å; M348-W365 PolarHBondContact O-N 3.46Å; N350-W365 HydrophobicContact CB-CD2 4.33Å; N350-W365 HydrophobicContact CB-CG 4.24Å; N350-W365 VanDerWaalsContact CG-CE2 3.48Å; N350-W365 PolarHBondContact ND2-NE1 2.82Å; N350-W365 VanDerWaalsContact OD1-CE2 3.27Å; N350-W365 WeakPolarHBondContact OD1-CZ2 3.42Å; N350-W365 PolarHBondContact OD1-NE1 2.72Å; L351-W365 HydrophobicContact CB-CZ3 4.3Å; I352-W365 HydrophobicContact CB-CH2 4.46Å; I352-W365 HydrophobicContact CB-CZ2 4.21Å; I352-W365 HydrophobicContact CD1-CH2 3.79Å; I352-W365 HydrophobicContact CD1-CZ2 3.71Å; I352-W365 HydrophobicContact CG1-CH2 3.74Å; I352-W365 HydrophobicContact CG1-CZ2 3.86Å; W365-V370 HydrophobicContact CB-CG2 3.91Å; W365-V370 HydrophobicContact CD2-CG2 4.01Å; W365-V370 HydrophobicContact CE3-CG2 3.62Å; W365-V370 HydrophobicContact CG-CG2 4.19Å; W365-V370 HydrophobicContact CZ3-CG2 4.4Å
366S88.7Confident81.7Confident19 Ų1977.8 Ų77.813%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-81.9130.9168.2172.10000109.5F368 Y369 V370S366-F368 PolarHBondContact O-N 2.88Å; S366-F368 PolarHBondContact OG-N 2.91Å; S366-Y369 PolarHBondContact O-N 3.16Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; S366-V370 WeakPolarHBondContact O-CG2 3.27Å; S366-V370 PolarHBondContact O-N 2.89Å
367I88.4Confident83Confident63 Ų6376.5 Ų76.532%0.32339%0.386SS..Hα-helixtrans-56.8-35.5178.4-63.8171.4000110.6H345 L346 M348 T371H345-I367 WeakPolarHBondContact O-CD1 3.46Å; L346-I367 PolarHBondContact O-N 3.03Å; M348-I367 HydrophobicContact CB-CD1 4.5Å; M348-I367 HydrophobicContact CB-CG1 3.93Å; M348-I367 HydrophobicContact CG-CG1 3.93Å; M348-I367 HydrophobicContact SD-CG1 3.97Å; I367-T371 HydrophobicContact CG2-CG2 4.19Å; I367-T371 WeakPolarHBondContact O-CB 3.39Å; I367-T371 WeakPolarHBondContact O-CG2 3.18Å; I367-T371 PolarHBondContact O-N 2.76Å; I367-T371 PolarHBondContact O-OG1 2.94Å
368F87.4Confident84.5Confident139 Ų13972.3 Ų72.361%0.6138%0.377SS*.Hα-helixtrans-63.9-48177.9-173.6-97.3000112.4S366 V370 T371 V372S366-F368 PolarHBondContact O-N 2.88Å; S366-F368 PolarHBondContact OG-N 2.91Å; F368-V370 PolarHBondContact O-N 3.05Å; F368-T371 WeakPolarHBondContact CA-OG1 3.28Å; F368-T371 PolarHBondContact O-N 2.77Å; F368-T371 PolarHBondContact O-OG1 2.84Å; F368-V372 HydrophobicContact CD1-CG2 4.27Å; F368-V372 HydrophobicContact CE1-CG2 3.93Å; F368-V372 HydrophobicContact CE2-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 4.03Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 VanDerWaalsContact O-CG2 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.87Å; F368-V372 PolarHBondContact O-N 2.64Å
369Y87.1Confident85.9Confident172 Ų17273.8 Ų73.868%0.67539%0.389SS*.Hα-helixtrans-67.9-38.5179.2-70.4-59000112.1S366 V372 L373S366-Y369 PolarHBondContact O-N 3.16Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; Y369-V372 PolarHBondContact O-N 2.82Å; Y369-L373 VanDerWaalsContact O-CB 3.29Å; Y369-L373 WeakPolarHBondContact O-CB 3.24Å; Y369-L373 PolarHBondContact O-N 2.84Å
370V87.6Confident87Confident41 Ų4176.9 Ų76.925%0.24839%0.392CS..Hα-helixtrans-64.9-43.1177.5177.20000111M348 W365 S366 F368 L373 A374M348-V370 HydrophobicContact SD-CB 4.15Å; M348-V370 HydrophobicContact SD-CG1 4.14Å; M348-V370 HydrophobicContact SD-CG2 4.08Å; W365-V370 HydrophobicContact CB-CG2 3.91Å; W365-V370 HydrophobicContact CD2-CG2 4.01Å; W365-V370 HydrophobicContact CE3-CG2 3.62Å; W365-V370 HydrophobicContact CG-CG2 4.19Å; W365-V370 HydrophobicContact CZ3-CG2 4.4Å; S366-V370 WeakPolarHBondContact O-CG2 3.27Å; S366-V370 PolarHBondContact O-N 2.89Å; F368-V370 PolarHBondContact O-N 3.05Å; V370-L373 PolarHBondContact O-N 2.9Å; V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 2.85Å
371T86.2Confident87.7Confident59 Ų5976.8 Ų76.836%0.36240%0.398SS..Hα-helixtrans-65.5-45.3177.150.40000111.7I367 F368 L373 A374 F375I367-T371 HydrophobicContact CG2-CG2 4.19Å; I367-T371 WeakPolarHBondContact O-CB 3.39Å; I367-T371 WeakPolarHBondContact O-CG2 3.18Å; I367-T371 PolarHBondContact O-N 2.76Å; I367-T371 PolarHBondContact O-OG1 2.94Å; F368-T371 WeakPolarHBondContact CA-OG1 3.28Å; F368-T371 PolarHBondContact O-N 2.77Å; F368-T371 PolarHBondContact O-OG1 2.84Å; T371-L373 PolarHBondContact O-N 2.79Å; T371-A374 PolarHBondContact O-N 3.03Å; T371-F375 WeakPolarHBondContact O-CD2 3.39Å; T371-F375 PolarHBondContact O-N 3.08Å
372V90.1Very high88.5Confident65 Ų6577.9 Ų77.939%0.39441%0.411SS..Hα-helixtrans-59.3-46.7175.4171.90000111F368 Y369 A374 F375 T376F368-V372 HydrophobicContact CD1-CG2 4.27Å; F368-V372 HydrophobicContact CE1-CG2 3.93Å; F368-V372 HydrophobicContact CE2-CG2 4.45Å; F368-V372 HydrophobicContact CZ-CG2 4.03Å; F368-V372 WeakPolarHBondContact O-CB 3.44Å; F368-V372 VanDerWaalsContact O-CG2 3.27Å; F368-V372 WeakPolarHBondContact O-CG2 2.87Å; F368-V372 PolarHBondContact O-N 2.64Å; Y369-V372 PolarHBondContact O-N 2.82Å; V372-A374 PolarHBondContact O-N 3.3Å; V372-F375 PolarHBondContact O-N 2.77Å; V372-T376 HydrophobicContact CG1-CG2 4.41Å; V372-T376 VanDerWaalsContact O-CG2 3.31Å; V372-T376 WeakPolarHBondContact O-CG2 3.42Å; V372-T376 PolarHBondContact O-N 2.95Å; V372-T376 PolarHBondContact O-OG1 3.47Å
373L89Confident88.7Confident108 Ų10878.9 Ų78.957%0.56543%0.425SS*.Hα-helixtrans-59.8-46.8177.3-168.795.2000111.2Y369 V370 T371 F375 T376 L377Y369-L373 VanDerWaalsContact O-CB 3.29Å; Y369-L373 WeakPolarHBondContact O-CB 3.24Å; Y369-L373 PolarHBondContact O-N 2.84Å; V370-L373 PolarHBondContact O-N 2.9Å; T371-L373 PolarHBondContact O-N 2.79Å; L373-F375 PolarHBondContact O-N 3.44Å; L373-T376 WeakPolarHBondContact CA-OG1 3.43Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.61Å; L373-L377 HydrophobicContact CD2-CD1 4.23Å; L373-L377 HydrophobicContact CG-CD1 4.29Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.87Å
374A88.9Confident88.7Confident43 Ų4385.6 Ų85.636%0.35545%0.454SS..Hα-helixtrans-60-45.4177.800000111.9V370 T371 V372 T376 L377 I378V370-A374 WeakPolarHBondContact O-CB 3.29Å; V370-A374 PolarHBondContact O-N 2.85Å; T371-A374 PolarHBondContact O-N 3.03Å; V372-A374 PolarHBondContact O-N 3.3Å; A374-T376 PolarHBondContact O-N 2.77Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-I378 VanDerWaalsContact O-CG1 3.25Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.49Å
375F91.1Very high88.6Confident140 Ų14084.8 Ų84.861%0.61446%0.456SS*.Hα-helixtrans-61.7-43.5175.4-83.6-68.6000112.2T371 V372 L373 L377 I378 V379T371-F375 WeakPolarHBondContact O-CD2 3.39Å; T371-F375 PolarHBondContact O-N 3.08Å; V372-F375 PolarHBondContact O-N 2.77Å; L373-F375 PolarHBondContact O-N 3.44Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-L377 PolarHBondContact O-N 2.99Å; F375-I378 PolarHBondContact O-N 3.13Å; F375-V379 WeakPolarHBondContact O-CG2 3.44Å; F375-V379 PolarHBondContact O-N 3.06Å
376T89.4Confident88.5Confident66 Ų6690.2 Ų90.241%0.40548%0.476SS..Hα-helixtrans-63.5-39.8177.260.70000112.2V372 L373 A374 V379 L380V372-T376 HydrophobicContact CG1-CG2 4.41Å; V372-T376 VanDerWaalsContact O-CG2 3.31Å; V372-T376 WeakPolarHBondContact O-CG2 3.42Å; V372-T376 PolarHBondContact O-N 2.95Å; V372-T376 PolarHBondContact O-OG1 3.47Å; L373-T376 WeakPolarHBondContact CA-OG1 3.43Å; L373-T376 PolarHBondContact O-N 2.98Å; L373-T376 PolarHBondContact O-OG1 2.61Å; A374-T376 PolarHBondContact O-N 2.77Å; T376-V379 PolarHBondContact O-N 2.91Å; T376-L380 WeakPolarHBondContact O-CB 3.13Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.41Å; T376-L380 PolarHBondContact O-N 2.8Å
377L90Very high88.2Confident93 Ų9394.6 Ų94.649%0.48750%0.498SS..Hα-helixtrans-66-39.1175.5-74172.6000112L373 A374 F375 L380 T381L373-L377 HydrophobicContact CD2-CD1 4.23Å; L373-L377 HydrophobicContact CG-CD1 4.29Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-L377 PolarHBondContact O-N 2.87Å; A374-L377 PolarHBondContact O-N 3.26Å; F375-L377 VanDerWaalsContact C-N 3.35Å; F375-L377 PolarHBondContact O-N 2.99Å; L377-L380 PolarHBondContact O-N 3.16Å; L377-T381 WeakPolarHBondContact O-CB 3.14Å; L377-T381 VanDerWaalsContact O-CG2 3.26Å; L377-T381 WeakPolarHBondContact O-CG2 3.47Å; L377-T381 PolarHBondContact O-N 3.14Å; L377-T381 PolarHBondContact O-OG1 3.22Å
378I91.6Very high87.8Confident109 Ų10994.3 Ų94.356%0.55950%0.5SS*.Hα-helixtrans-64.3-42.7174.7-68164.2000110.7A374 F375 T381 G382A374-I378 VanDerWaalsContact O-CG1 3.25Å; A374-I378 WeakPolarHBondContact O-CG1 3.48Å; A374-I378 PolarHBondContact O-N 3.49Å; F375-I378 PolarHBondContact O-N 3.13Å; I378-T381 WeakPolarHBondContact CA-OG1 3.27Å; I378-T381 PolarHBondContact O-OG1 3.03Å; I378-T381 VanDerWaalsContact O-OG1 3.09Å; I378-G382 PolarHBondContact O-N 2.77Å
379V91.7Very high87.6Confident106 Ų10692.1 Ų92.164%0.64249%0.494SS*.Hα-helixtrans-67.2-40.4177.1173.10000111.4F375 T376 G383F375-V379 WeakPolarHBondContact O-CG2 3.44Å; F375-V379 PolarHBondContact O-N 3.06Å; T376-V379 PolarHBondContact O-N 2.91Å; V379-G383 WeakPolarHBondContact O-CA 3.46Å; V379-G383 PolarHBondContact O-N 3.03Å
380L89.4Confident87.1Confident117 Ų11786.6 Ų86.661%0.61348%0.48SS*.Hα-helixtrans-67.9-42.4177.4-74.6171.3000112.1T376 L377 G383 F384T376-L380 WeakPolarHBondContact O-CB 3.13Å; T376-L380 VanDerWaalsContact O-CG 3.25Å; T376-L380 WeakPolarHBondContact O-CG 3.41Å; T376-L380 PolarHBondContact O-N 2.8Å; L377-L380 PolarHBondContact O-N 3.16Å; L380-G383 PolarHBondContact O-N 2.83Å; L380-F384 VanDerWaalsContact O-CB 3.23Å; L380-F384 WeakPolarHBondContact O-CB 3.39Å; L380-F384 PolarHBondContact O-N 2.74Å
381T87.8Confident86.6Confident83 Ų8387.9 Ų87.951%0.50949%0.49SS..Hα-helixtrans-70.5-40.5176.752.20000111.7L377 I378 F384 T385L377-T381 WeakPolarHBondContact O-CB 3.14Å; L377-T381 VanDerWaalsContact O-CG2 3.26Å; L377-T381 WeakPolarHBondContact O-CG2 3.47Å; L377-T381 PolarHBondContact O-N 3.14Å; L377-T381 PolarHBondContact O-OG1 3.22Å; I378-T381 WeakPolarHBondContact CA-OG1 3.27Å; I378-T381 PolarHBondContact O-OG1 3.03Å; I378-T381 VanDerWaalsContact O-OG1 3.09Å; T381-F384 PolarHBondContact O-N 3.32Å; T381-T385 WeakPolarHBondContact O-CB 3.34Å; T381-T385 VanDerWaalsContact O-CG2 3.24Å; T381-T385 WeakPolarHBondContact O-CG2 3.45Å; T381-T385 PolarHBondContact O-N 2.97Å; T381-T385 PolarHBondContact O-OG1 3Å
382G89.4Confident85.9Confident35 Ų3588.7 Ų88.736%0.36150%0.497SS..Hα-helixtrans-60.9-42.9170.300000112.2I378 T385 W386I378-G382 PolarHBondContact O-N 2.77Å; G382-T385 WeakPolarHBondContact CA-OG1 3.19Å; G382-T385 PolarHBondContact O-OG1 2.73Å; G382-W386 WeakPolarHBondContact O-CB 3.48Å; G382-W386 PolarHBondContact O-N 3.35Å
383G88.4Confident84.9Confident35 Ų3592.4 Ų92.436%0.36151%0.508SS..Hα-helixtrans-65.3-43.4175.300000112.5V379 L380 W386 L387V379-G383 WeakPolarHBondContact O-CA 3.46Å; V379-G383 PolarHBondContact O-N 3.03Å; L380-G383 PolarHBondContact O-N 2.83Å; G383-W386 PolarHBondContact O-N 3.42Å; G383-L387 WeakPolarHBondContact O-CB 3.24Å; G383-L387 PolarHBondContact O-N 2.91Å
384F85.3Confident83.5Confident142 Ų14297 Ų9762%0.62352%0.518SS*.Hα-helixtrans-67.7-45178.3-168.6-96.4000111.7L380 T381 W386 L387 C388L380-F384 VanDerWaalsContact O-CB 3.23Å; L380-F384 WeakPolarHBondContact O-CB 3.39Å; L380-F384 PolarHBondContact O-N 2.74Å; T381-F384 PolarHBondContact O-N 3.32Å; F384-W386 VanDerWaalsContact C-N 3.33Å; F384-W386 PolarHBondContact O-N 3.13Å; F384-L387 PolarHBondContact O-N 3.32Å; F384-C388 VanDerWaalsContact CE1-SG 3.53Å; F384-C388 WeakPolarHBondContact O-CB 3.24Å; F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 3.18Å
385T86.1Confident81.9Confident77 Ų77101.9 Ų101.947%0.47253%0.534SS..Hα-helixtrans-62-41.8174.451.50000111.3T381 G382 C388 I389T381-T385 WeakPolarHBondContact O-CB 3.34Å; T381-T385 VanDerWaalsContact O-CG2 3.24Å; T381-T385 WeakPolarHBondContact O-CG2 3.45Å; T381-T385 PolarHBondContact O-N 2.97Å; T381-T385 PolarHBondContact O-OG1 3Å; G382-T385 WeakPolarHBondContact CA-OG1 3.19Å; G382-T385 PolarHBondContact O-OG1 2.73Å; T385-C388 PolarHBondContact O-N 3.04Å; T385-I389 WeakPolarHBondContact O-CB 3.38Å; T385-I389 WeakPolarHBondContact O-CD1 3.23Å; T385-I389 WeakPolarHBondContact O-CG1 3.42Å; T385-I389 PolarHBondContact O-N 3Å
386W85.4Confident80.1Confident182 Ų182103.2 Ų103.269%0.68954%0.539SS*.Hα-helixtrans-60.7-45.2172.4-172.2-87.8000112.2G382 G383 F384 C388 I389 C390G382-W386 WeakPolarHBondContact O-CB 3.48Å; G382-W386 PolarHBondContact O-N 3.35Å; G383-W386 PolarHBondContact O-N 3.42Å; F384-W386 VanDerWaalsContact C-N 3.33Å; F384-W386 PolarHBondContact O-N 3.13Å; W386-C388 PolarHBondContact O-N 3.14Å; W386-I389 PolarHBondContact O-N 2.87Å; W386-C390 WeakPolarHBondContact O-CB 3.44Å; W386-C390 PolarHBondContact O-N 3.49Å; W386-C390 PolarHBondContact O-SG 2.8Å
387L82.1Confident78.3Confident112 Ų112110.5 Ų110.559%0.58656%0.559SS**Hα-helixtrans-62.3-44.1177.5-135.6109.6000111.3G383 F384 C390 C391G383-L387 WeakPolarHBondContact O-CB 3.24Å; G383-L387 PolarHBondContact O-N 2.91Å; F384-L387 PolarHBondContact O-N 3.32Å; L387-C390 PolarHBondContact O-N 3.45Å; L387-C391 WeakPolarHBondContact O-CB 3.48Å; L387-C391 PolarHBondContact O-N 2.82Å; L387-C391 PolarHBondContact O-SG 3Å
388C80.6Confident76.3Confident56 Ų56111.8 Ų111.838%0.37857%0.571SS.*Hα-helixtrans-60.1-45.6174.6-71.80000111.4F384 T385 W386 C390 C391 C392F384-C388 VanDerWaalsContact CE1-SG 3.53Å; F384-C388 WeakPolarHBondContact O-CB 3.24Å; F384-C388 PolarHBondContact O-N 3.44Å; F384-C388 PolarHBondContact O-SG 3.18Å; T385-C388 PolarHBondContact O-N 3.04Å; W386-C388 PolarHBondContact O-N 3.14Å; C388-C390 PolarHBondContact O-N 3.26Å; C388-C391 PolarHBondContact O-N 2.89Å; C388-C392 WeakPolarHBondContact O-CB 3.41Å; C388-C392 PolarHBondContact O-N 3.45Å; C388-C392 PolarHBondContact O-SG 3.03Å
389I82.3Confident74.1Confident93 Ų93115.8 Ų115.848%0.47758%0.584SS.*Hα-helixtrans-63.1-42.8176.5-68.8164.1000111T385 W386 C392 K393T385-I389 WeakPolarHBondContact O-CB 3.38Å; T385-I389 WeakPolarHBondContact O-CD1 3.23Å; T385-I389 WeakPolarHBondContact O-CG1 3.42Å; T385-I389 PolarHBondContact O-N 3Å; W386-I389 PolarHBondContact O-N 2.87Å; I389-C392 PolarHBondContact O-N 3.05Å; I389-K393 WeakPolarHBondContact O-CB 3.33Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 2.85Å
390C77.6Confident72.1Confident56 Ų56117.7 Ų117.738%0.37859%0.589SS.*Hα-helixtrans-64.9-40.7176.7-78.70000112.5W386 L387 C388 K393 R394W386-C390 WeakPolarHBondContact O-CB 3.44Å; W386-C390 PolarHBondContact O-N 3.49Å; W386-C390 PolarHBondContact O-SG 2.8Å; L387-C390 PolarHBondContact O-N 3.45Å; C388-C390 PolarHBondContact O-N 3.26Å; C390-K393 PolarHBondContact O-N 2.8Å; C390-R394 WeakPolarHBondContact O-CB 3.27Å; C390-R394 PolarHBondContact O-N 3.06Å
391C75.9Confident70.1Confident68 Ų68123.6 Ų123.646%0.45960%0.603SS.*Hα-helixtrans-65.1-43175.1-74.50000111.7L387 C388 K393 R394 Q395L387-C391 WeakPolarHBondContact O-CB 3.48Å; L387-C391 PolarHBondContact O-N 2.82Å; L387-C391 PolarHBondContact O-SG 3Å; C388-C391 PolarHBondContact O-N 2.89Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.81Å; C391-R394 PolarHBondContact O-N 2.9Å; C391-Q395 PolarHBondContact O-N 2.91Å
392C72.7Confident67.8Low76 Ų76129.1 Ų129.151%0.51462%0.621SS.*Hα-helixtrans-63.9-35.8173.8-69.90000112.5C388 I389 K396C388-C392 WeakPolarHBondContact O-CB 3.41Å; C388-C392 PolarHBondContact O-N 3.45Å; C388-C392 PolarHBondContact O-SG 3.03Å; I389-C392 PolarHBondContact O-N 3.05Å; C392-K396 PolarHBondContact O-N 3.41Å
393K67.8Low65.4Low144 Ų144137.4 Ų137.463%0.62665%0.646SS**Hα-helixtrans-73.5-33.2173.3-76.7-170.8177.6-178.70113I389 C390 C391 K396 R397I389-K393 WeakPolarHBondContact O-CB 3.33Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 2.85Å; C390-K393 PolarHBondContact O-N 2.8Å; C391-K393 VanDerWaalsContact C-N 3.34Å; C391-K393 PolarHBondContact O-N 2.81Å; K393-K396 PolarHBondContact O-N 2.84Å; K393-R397 PolarHBondContact O-N 3.01Å
394R59.6Low63.3Low205 Ų205142.4 Ų142.477%0.77467%0.67SS**Hα-helixtrans-68.2-40.3174.4-101.1-176.9171176.3-1.9112.2C390 C391 K396 R397C390-R394 WeakPolarHBondContact O-CB 3.27Å; C390-R394 PolarHBondContact O-N 3.06Å; C391-R394 PolarHBondContact O-N 2.9Å; R394-K396 VanDerWaalsContact C-N 3.31Å; R394-K396 PolarHBondContact O-N 2.96Å; R394-R397 PolarHBondContact O-N 2.87Å
395Q56.6Low60.6Low145 Ų145145.2 Ų145.268%0.67868%0.682SS**Hα-helixtrans-65-30.9174.8-84.8-177.7-19.500113.5C391 T398C391-Q395 PolarHBondContact O-N 2.91Å; Q395-T398 PolarHBondContact O-OG1 3.12Å
396K52.5Low58.2Low168 Ų168151.3 Ų151.373%0.7370%0.698SS**Hα-helixtrans-72-25.4174.2-74.9-174.6178.4-175.50113.5C392 K393 R394C392-K396 PolarHBondContact O-N 3.41Å; K393-K396 PolarHBondContact O-N 2.84Å; R394-K396 VanDerWaalsContact C-N 3.31Å; R394-K396 PolarHBondContact O-N 2.96Å
397R51.6Low55.6Low219 Ų219148.3 Ų148.383%0.82670%0.7SS**Hα-helixtrans-81.5-19.7179.6-79.7-174.8175.8177.7-0.7114.4K393 R394K393-R397 PolarHBondContact O-N 3.01Å; R394-R397 PolarHBondContact O-N 2.87Å
398T48.3Very low53.5Low119 Ų119150 Ų15073%0.7371%0.708SS**SBendtrans-88.2-9.7-177.445.90000114.9Q395Q395-T398 PolarHBondContact O-OG1 3.12Å
399K46.1Very low51.7Low194 Ų194154.3 Ų154.384%0.84373%0.726SS**SBendtrans-92.4-10.2178.2-84.6-173175.6-1780115.7
400I49.6Very low49.4Very low146 Ų146155.8 Ų155.875%0.74974%0.735SS**  trans-10976-174.9-54.3174.3000110
401R46.6Very low47.3Very low240 Ų240158.9 Ų158.991%0.90675%0.748SS**  trans-160.389.4160.3-128.7177.3-178.1177.70.4111.5
402K39.8Very low45.2Very low200 Ų200162.4 Ų162.487%0.8776%0.76SS**SBendtrans-168.2110.3141.9-106.3169-172.7-178.10113.2
403K38.5Very low43.4Very low208 Ų208164.9 Ų164.990%0.90477%0.768SS**  trans65.4116.3144.6-66.5-173175.2-176.20121.8
404T44.6Very low41.8Very low141 Ų141164.9 Ų164.987%0.86577%0.77SS**  trans-77.4142.6164.844.90000113.6
405K29.1Very low40.7Very low200 Ų200161.6 Ų161.687%0.8776%0.764SS**  trans-161.8155.4140.4-138.2170.4-178.7-173.30111.2
406Y34.8Very low39.5Very low206 Ų206163 Ų16381%0.80877%0.77SS**  trans-72.9171.1-146.3-68.5-99.4000120.6
407T31.9Very low38.5Very low119 Ų119165.2 Ų165.273%0.7377%0.774SS**  trans104.6115.9136.739.20000121.6
408I38.2Very low37.5Very low148 Ų148161.4 Ų161.476%0.75977%0.767SS**  trans95.2134.4132.7-65.9164.1000119
409L41.6Very low36.8Very low145 Ų145162.9 Ų162.976%0.75977%0.765SS**  trans-19146.4170.8-73.788.6000115.5
410D33.7Very low36.2Very low124 Ų124160.6 Ų160.666%0.66376%0.762SS**  cis-170.4167.248.9-145.3-4.1000111.7
411N33Very low35.3Very low121 Ų121165.2 Ų165.265%0.64777%0.77SS**  trans76.1115.9150.8-78.7-26.3000123
412M33Very low34.9Very low143 Ų143159.2 Ų159.270%0.70476%0.762SS**  74123.1124.5-74.2-175.467.500120.9
413D34.9Very low34.5Very low128 Ų128157.8 Ų157.868%0.68476%0.756SS**  trans81.9115.4137.8-76-2.8000120.9
414E34.5Very low34.2Very low144 Ų144157.7 Ų157.767%0.67375%0.751SS**  113.5139.1123.1-84.2-76.3179.900118.2
415Q35.7Very low33.5Very low136 Ų136154.1 Ų154.164%0.63674%0.743SS**  trans70.189.4172-98.485.631.600121
416E32.2Very low33.9Very low173 Ų173151.8 Ų151.881%0.80874%0.738SS**  63.7101113.4-71.4-177.2157.900119.4
417R31Very low33.7Very low216 Ų216149.9 Ų149.982%0.81573%0.734SS**  trans-155.5129.4148-120.5178.4165.7146.74.3112.3
418M30.9Very low33.9Very low139 Ų139151.6 Ų151.669%0.68573%0.733SS**  trans65.8142.2146.9-72.4-175.7-71.800115.6
419E32.4Very low33.6Very low149 Ų149154.5 Ų154.570%0.69674%0.735SS**  cis-171.41636.4-126.4174.2-16900105.7
420L35.3Very low33.3Very low146 Ų146152 Ų15276%0.76473%0.729SS**  trans66.4106.8152.4-61.2160.4000117.5
421R29.8Very low33.5Very low243 Ų243151.4 Ų151.492%0.91773%0.73SS**  trans-127.5134.4137.6-82.4-162.9179.7-165.72.7110.5
422P38.4Very low33.6Very low115 Ų115153.4 Ų153.475%0.74774%0.736SS**  trans-87.814915234.3-27000111.1
423K31Very low33.8Very low170 Ų170153.3 Ų153.374%0.73973%0.733SS**  trans54.5116.7143.3-82.9-174.9168.5-172.70122.1
424Y32.6Very low33.9Very low206 Ų206153.1 Ų153.181%0.80873%0.732SS**  trans72.5122.6139.7-62.4-62.8000120.5
425G29.5Very low34.1Very low66 Ų66151.2 Ų151.268%0.6874%0.735SS**  137.2112.3117.600000116.5
426I36.4Very low34.2Very low151 Ų151149.8 Ų149.877%0.77474%0.74SS**  trans90.998.1133.1-60.2169.8000117.6
427K32Very low34.5Very low166 Ų166148.6 Ų148.672%0.72274%0.738SS**  76.6140.2122.9-68-175.3-178.1-178.20122.2
428H35.1Very low35.2Very low155 Ų155145.7 Ų145.772%0.71874%0.736SS**  trans79.3140.3148.8-71.7-53000116.2
429R33.5Very low35.6Very low208 Ų208145 Ų14579%0.78574%0.739SS**  cis177.91381.3163.7176.5-179172.52.7106.4
430S35.4Very low35.7Very low92 Ų92143 Ų14364%0.64374%0.742SS**  trans53.7133.3154.4700000118.3
431T37.1Very low35.8Very low112 Ų112144.2 Ų144.269%0.68774%0.743SS**  -168135.157.939.70000110.2
432E34.6Very low36.2Very low164 Ų164137.3 Ų137.377%0.76673%0.733SS**  42.3131.7129.2-63-175.617500119.4
433H37.5Very low36.4Very low141 Ų141140.7 Ų140.765%0.65374%0.738SS**  cis-170.8147.740.2-125.830.7000109.8
434N37.3Very low36.5Very low124 Ų124142.5 Ų142.566%0.66375%0.747SS**  trans59.9124.4146.1-56.4-17.4000118.6
435S38.8Very low37.2Very low104 Ų104139.1 Ų139.173%0.72774%0.743SS**  -179.6136.854.625.60000110.5
436S38.4Very low37.6Very low105 Ų105141.4 Ų141.473%0.73475%0.748SS**  trans45140.314362.40000120.3
437L37.6Very low38.3Very low148 Ų148141.2 Ų141.278%0.77575%0.748SS**  cis-176.6147.515.8-121.8160.6000107.3
438M44.9Very low38.7Very low155 Ų155142.9 Ų142.976%0.76476%0.759SS**  trans74.199160.4-52.4-57.6-102.400118.7
439V39.1Very low38.9Very low126 Ų126142.6 Ų142.676%0.76476%0.762SS**  93.595.483.4167.30000111.8
440S35Very low39.1Very low107 Ų107139.1 Ų139.175%0.74877%0.765SS**  trans-104.7165.8142.1-59.70000105.5
441E38.9Very low39.1Very low170 Ų170141.3 Ų141.379%0.79477%0.768SS**  cis-178.2158.438.9-142.9168.5-147.900108.2
442S38.3Very low38.9Very low99 Ų99145.1 Ų145.169%0.69278%0.775SS**  trans69.4139.6134.367.50000124.3
443E42.1Very low38.7Very low186 Ų186142.2 Ų142.287%0.86977%0.773SS**  trans-49.9149.7163.8-62.3159.5143.600113.8
444F33.3Very low38.5Very low208 Ų208145.6 Ų145.691%0.91278%0.78SS**  trans-127.4129165.7-131.9-91.1000108.7
445D46.6Very low38.3Very low135 Ų135146.7 Ų146.772%0.72278%0.781SS**  trans-79.5146.3173.5-159.87.2000109.8
446S37.6Very low37.9Very low113 Ų113151.5 Ų151.579%0.7979%0.789SS**  trans-157.4113.5161.570.90000111.7
447D52.1Low37.6Very low147 Ų147152.9 Ų152.979%0.78679%0.785SS**  trans-61.7150.1162.8-66.9-48.8000112.6
448Q40.1Very low37.3Very low201 Ų201155.3 Ų155.394%0.93979%0.793SS**  trans-158.8129.8142.4-121.6171.711.400114.2
449D39.3Very low36.7Very low149 Ų149158.2 Ų158.280%0.79780%0.795SS**  trans-70.2156.2173-79.8-50.8000114.8
450T37.8Very low36.2Very low135 Ų135155.9 Ų155.983%0.82880%0.797SS**  trans-175.2107136.133.40000108.7
451I34.9Very low36Very low138 Ų138158.4 Ų158.471%0.70880%0.802SS**  48108.790-54.9-179.3000115.4
452F33Very low36.3Very low192 Ų192155.5 Ų155.584%0.84280%0.798SS**  -175.9115.1118.6-106.8-78.6000113.1
453S30.1Very low36.2Very low103 Ų103160.6 Ų160.672%0.7281%0.808SS**  trans35.6113.5139.5-49.70000124.8
454R33.4Very low35.7Very low213 Ų213158.4 Ų158.480%0.80481%0.806SS**  -13.8138.9124.4178.4169.7157.8130.50.2115.8
455E33.6Very low35.7Very low147 Ų147153 Ų15369%0.68780%0.795SS**  -179.6143.673.7-140.8158.1-136.300107.1
456K30.7Very low35.1Very low205 Ų205155.6 Ų155.689%0.89181%0.805SS**  -173.515185.5-156.4174.3-175.3-179.10111.6
457M31.5Very low35.1Very low133 Ų133158.1 Ų158.166%0.65581%0.81SS**  trans-92.4144.9-168175.8171.5153.200111.4R459M457-R459 HydrophobicContact CE-CG 4.37Å
458E30.1Very low34.1Very low200 Ų200155.1 Ų155.194%0.93581%0.813SS**  trans-145.3125.7142.4-126.3172.2-159.700111.6
459R33.8Very low33.9Very low215 Ų215150.2 Ų150.281%0.81180%0.801SS**  trans-90.4143-179-91.9174.6168166.5-4.7109.3M457M457-R459 HydrophobicContact CE-CG 4.37Å
460G28.1Very low33.7Very low78 Ų78150.4 Ų150.480%0.80480%0.801SS**  trans-148.5121.7156.200000110.2
461N31.8Very low33.4Very low159 Ų159155 Ų15585%0.8580%0.803SS**  trans-62.2158.4-164-91.5-27.4000117.7
462P44.5Very low33.3Very low110 Ų110155.8 Ų155.871%0.71481%0.809SS**  trans-104143.5163.237.2-26.9000113
463K35.7Very low33.3Very low206 Ų206150.3 Ų150.390%0.89681%0.806SS**  trans171.4130.2152.4-96.6165.4-175.1-175.80105.2
464V32.3Very low33.5Very low139 Ų139149.8 Ų149.884%0.84281%0.808SS**  -162.2141.279.1160.70000109.9
465S32.6Very low33.7Very low96 Ų96144.9 Ų144.967%0.67181%0.806SS**  trans-75.8144.9168.4151.30000111.3
466M34.6Very low33.7Very low189 Ų189147.2 Ų147.293%0.93181%0.814SS**  trans-160.2130.9135.3-114.4-175.3164.500113.6
467N36.3Very low33.7Very low166 Ų166142.1 Ų142.189%0.88881%0.805SS**  trans-67.2155.3168.6-79.7-27.7000112.4
468G31.1Very low34Very low84 Ų84146.5 Ų146.587%0.86682%0.816SS**  trans-176.5114.3160.700000113
469S37Very low34.1Very low98 Ų98141.9 Ų141.969%0.68580%0.804SS**  trans-105.2157.9-17564.30000113.2
470I34.1Very low34.6Very low153 Ų153136.5 Ų136.579%0.78580%0.8SS**  trans79.3128.1158-55.2161.6000113.6
471R32.3Very low35.3Very low231 Ų231141.9 Ų141.987%0.87280%0.801SS**  -175.8163.162.3-149.2164.5-178.6-163.7-1.1113.4
472N33.4Very low36.2Very low155 Ų155141 Ų14183%0.82980%0.796SS**  trans-49.3150.2175.9-61.8-29.1000118.5
473G31.8Very low36Very low76 Ų76151.2 Ų151.278%0.78482%0.82SS**  90.5114.6124.800000118.3
474A35.7Very low36Very low93 Ų93148.5 Ų148.577%0.76982%0.817SS**  173.9127.6119.300000111.2
475S36.1Very low36.2Very low109 Ų109148.9 Ų148.976%0.76282%0.815SS**  trans-61140.7161.448.30000112.4
476F33.9Very low36.4Very low196 Ų196151.9 Ų151.986%0.8682%0.823SS**  trans-139.1111.7150.2-98.2-81000111.4
477S31.5Very low36.5Very low99 Ų99149.7 Ų149.769%0.69282%0.817SS**  trans-64.9144.8156.11660000109.7
478Y36.7Very low36.5Very low225 Ų225148.7 Ų148.788%0.88281%0.812SS**  trans-132.3122.4151-122.7-88.4000110.8
479C33.3Very low36.9Very low102 Ų102153 Ų15369%0.68981%0.809SS**  trans-67.5134.1171.6-144.60000109.6
480S43.4Very low36.9Very low103 Ų103156.9 Ų156.972%0.7282%0.818SS**  23.6113.2106.8-165.80000116.5
481K43.7Very low37.1Very low191 Ų191157.2 Ų157.283%0.8382%0.82SS**  trans-164.5119.1136.8-127.9172.2-178.2172.40112.7
482D50Low37.5Very low141 Ų141151.1 Ų151.175%0.75482%0.816SS**  trans25.5116.6142-56.5-34.6000120.1
483R40.7Very low37.9Very low323 Ų323150.7 Ų150.7100%1.21982%0.815SS**  -158.90111.4-130.2178.5-171.5167.22.3112.5

Retrieved 483 of 483 residues in 210 ms (Link to these results)