A0A087Y2J9_POEFO Loading...

Arf-GAP with dual PH domain-containing protein 2-like

AlphaFold DB , UniProt , Accession A0A087Y2J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M61.5Low85.5Confident201 Ų20174.8 Ų74.899%0.9940%0.4SS*.  0-55.80-71.8-168.5-91.800112.4S5M1-S5 PolarHBondContact O-N 3.28Å
2A68.9Low86.4Confident88 Ų8872.5 Ų72.573%0.72739%0.387SS*.Hα-helixtrans-64.6-43.7179.900000114.4S5 R6A2-S5 PolarHBondContact O-N 2.89Å; A2-R6 PolarHBondContact O-N 3.04Å; A2-R6 VanDerWaalsContact O-N 3.1Å
3S74.4Confident87.2Confident52 Ų5274.2 Ų74.236%0.36440%0.396SS..Hα-helixtrans-63.9-42177.953.50000113R6 N7S3-R6 WeakPolarHBondContact O-CB 3.43Å; S3-R6 PolarHBondContact O-N 3.34Å; S3-N7 WeakPolarHBondContact O-CB 3.46Å; S3-N7 VanDerWaalsContact O-CG 3.28Å; S3-N7 PolarHBondContact O-N 3.18Å; S3-N7 PolarHBondContact O-OD1 3.45Å
4Q78.9Confident87.9Confident65 Ų6569.7 Ų69.730%0.30437%0.372SS..Hα-helixtrans-64.3-42.6178-172.5173.78.600112.1R6 N7 N8 Y66Q4-R6 VanDerWaalsContact C-N 3.34Å; Q4-R6 PolarHBondContact O-N 2.77Å; Q4-N7 PolarHBondContact O-N 3.02Å; Q4-N8 WeakPolarHBondContact O-CB 3.47Å; Q4-N8 VanDerWaalsContact O-CG 3.24Å; Q4-N8 PolarHBondContact O-N 3.43Å; Q4-N8 PolarHBondContact O-OD1 2.98Å; Q4-Y66 HydrophobicContact CB-CD2 4.35Å; Q4-Y66 HydrophobicContact CB-CE2 4.35Å; Q4-Y66 HydrophobicContact CG-CD2 4.03Å
5S85.7Confident88.5Confident81 Ų8165.4 Ų65.457%0.56635%0.35SS*.Hα-helixtrans-61.4-42.4174.5-179.30000111.9M1 A2 K9M1-S5 PolarHBondContact O-N 3.28Å; A2-S5 PolarHBondContact O-N 2.89Å; S5-K9 PolarHBondContact O-N 3.39Å; S5-K9 VanDerWaalsContact O-N 3.09Å
6R94Very high89Confident127 Ų12768.7 Ų68.748%0.47936%0.362SS..Hα-helixtrans-60.2-49.9174.6-177.5-168.369166.9-3.7112A2 S3 Q4 K9 I10 D69A2-R6 PolarHBondContact O-N 3.04Å; A2-R6 VanDerWaalsContact O-N 3.1Å; S3-R6 WeakPolarHBondContact O-CB 3.43Å; S3-R6 PolarHBondContact O-N 3.34Å; Q4-R6 VanDerWaalsContact C-N 3.34Å; Q4-R6 PolarHBondContact O-N 2.77Å; R6-K9 WeakPolarHBondContact O-CB 3.4Å; R6-K9 PolarHBondContact O-N 2.89Å; R6-I10 HydrophobicContact CG-CD1 4.18Å; R6-I10 WeakPolarHBondContact O-CG1 3.34Å; R6-I10 PolarHBondContact O-N 3.3Å; R6-D69 IonicContact CZ-OD2 3.33Å; R6-D69 IonicContact NH2-OD1 3.99Å; R6-D69 PolarHBondContact NH2-OD1 3.03Å; R6-D69 IonicContact NH2-OD2 3.28Å; R6-D69 PolarHBondContact NH2-OD2 3.32Å
7N95.2Very high89.4Confident2 Ų270.4 Ų70.41%0.01137%0.368CS..Hα-helixtrans-64.7-42.5-176.6-74.85.4000112.1S3 Q4 K9 I10 L11 W67 D69 V72S3-N7 WeakPolarHBondContact O-CB 3.46Å; S3-N7 VanDerWaalsContact O-CG 3.28Å; S3-N7 PolarHBondContact O-N 3.18Å; S3-N7 PolarHBondContact O-OD1 3.45Å; Q4-N7 PolarHBondContact O-N 3.02Å; N7-K9 VanDerWaalsContact C-N 3.3Å; N7-K9 PolarHBondContact O-N 3.22Å; N7-I10 PolarHBondContact O-N 3.23Å; N7-L11 WeakPolarHBondContact O-CG 3.38Å; N7-L11 PolarHBondContact O-N 3.01Å; N7-W67 HydrophobicContact CB-CB 4.47Å; N7-W67 PolarHBondContact ND2-O 3.38Å; N7-D69 PolarHBondContact ND2-OD1 3.46Å; N7-D69 PolarHBondContact OD1-OD1 2.81Å; N7-V72 HydrophobicContact CB-CG2 3.74Å
8N92.4Very high89.6Confident27 Ų2773.1 Ų73.114%0.14439%0.39CS..Hα-helixtrans-61.4-41.3174.8-70.86.4000111.1Q4 L11 L12Q4-N8 WeakPolarHBondContact O-CB 3.47Å; Q4-N8 VanDerWaalsContact O-CG 3.24Å; Q4-N8 PolarHBondContact O-N 3.43Å; Q4-N8 PolarHBondContact O-OD1 2.98Å; N8-L11 PolarHBondContact O-N 3.09Å; N8-L12 WeakPolarHBondContact O-CB 3.32Å; N8-L12 WeakPolarHBondContact O-CG 3.44Å; N8-L12 PolarHBondContact O-N 2.9Å
9K95.4Very high89.8Confident136 Ų13671 Ų7159%0.59139%0.388SS*.Hα-helixtrans-60.1-46.4175.3-176.5173.9179173.50111.8S5 R6 N7 L11 L12 D13S5-K9 PolarHBondContact O-N 3.39Å; S5-K9 VanDerWaalsContact O-N 3.09Å; R6-K9 WeakPolarHBondContact O-CB 3.4Å; R6-K9 PolarHBondContact O-N 2.89Å; N7-K9 VanDerWaalsContact C-N 3.3Å; N7-K9 PolarHBondContact O-N 3.22Å; K9-L11 PolarHBondContact O-N 3.21Å; K9-L12 PolarHBondContact O-N 2.93Å; K9-D13 VanDerWaalsContact O-CG 3.27Å; K9-D13 PolarHBondContact O-N 3.34Å
10I97Very high90.2Very high44 Ų4467.9 Ų67.923%0.22637%0.371CS..Hα-helixtrans-58.5-47.6177.5-66.2165.7000110.9R6 N7 L12 D13 L14 V72 Q76R6-I10 HydrophobicContact CG-CD1 4.18Å; R6-I10 WeakPolarHBondContact O-CG1 3.34Å; R6-I10 PolarHBondContact O-N 3.3Å; N7-I10 PolarHBondContact O-N 3.23Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.44Å; I10-D13 PolarHBondContact O-N 3.1Å; I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.43Å; I10-V72 HydrophobicContact CB-CG1 4.02Å; I10-V72 HydrophobicContact CD1-CG1 4.32Å; I10-V72 HydrophobicContact CG2-CG1 3.58Å; I10-Q76 HydrophobicContact CG2-CG 4.04Å
11L97.3Very high90.5Very high0 Ų067.9 Ų67.90%037%0.37CS..Hα-helixtrans-64.8-36.9179.5-67.9168000112.4N7 N8 K9 D13 L14 V15 I62 W67 V72 M75N7-L11 WeakPolarHBondContact O-CG 3.38Å; N7-L11 PolarHBondContact O-N 3.01Å; N8-L11 PolarHBondContact O-N 3.09Å; K9-L11 PolarHBondContact O-N 3.21Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-L14 HydrophobicContact CD2-CD1 4.27Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-V15 PolarHBondContact O-N 3.22Å; L11-I62 HydrophobicContact CB-CG2 3.66Å; L11-W67 HydrophobicContact CD1-CB 4.05Å; L11-W67 HydrophobicContact CD1-CD2 3.38Å; L11-W67 HydrophobicContact CD1-CE3 3.87Å; L11-W67 HydrophobicContact CD1-CG 3.44Å; L11-W67 VanDerWaalsContact CD1-CG 3.44Å; L11-W67 HydrophobicContact CD1-CZ2 4.26Å; L11-W67 HydrophobicContact CD1-CZ3 4.5Å; L11-V72 HydrophobicContact CD1-CG2 4.2Å; L11-V72 HydrophobicContact CD2-CG1 4.46Å; L11-V72 HydrophobicContact CD2-CG2 4.49Å; L11-V72 HydrophobicContact CG-CG1 4.47Å; L11-V72 HydrophobicContact CG-CG2 4.26Å; L11-M75 HydrophobicContact CD2-CB 4.02Å; L11-M75 HydrophobicContact CD2-CG 4.17Å
12L96.5Very high92.2Very high47 Ų4763.2 Ų63.225%0.24635%0.346CS..Hα-helixtrans-65.9-37.1173.7-72171.9000111.9N8 K9 I10 V15 Q16 I62 R63N8-L12 WeakPolarHBondContact O-CB 3.32Å; N8-L12 WeakPolarHBondContact O-CG 3.44Å; N8-L12 PolarHBondContact O-N 2.9Å; K9-L12 PolarHBondContact O-N 2.93Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.44Å; L12-V15 WeakPolarHBondContact O-CG1 3.22Å; L12-Q16 WeakPolarHBondContact O-CG 3.33Å; L12-I62 HydrophobicContact CD2-CG2 3.91Å; L12-I62 HydrophobicContact CG-CG2 4.13Å; L12-R63 HydrophobicContact CD2-CG 4.22Å; L12-R63 VanDerWaalsContact CD2-CZ 3.42Å
13D97Very high93.7Very high94 Ų9459.2 Ų59.250%0.50331%0.313SS..Hα-helixtrans-69.4-40.3174.5-65.6-22000110.7K9 I10 L11 V15 Q16K9-D13 VanDerWaalsContact O-CG 3.27Å; K9-D13 PolarHBondContact O-N 3.34Å; I10-D13 PolarHBondContact O-N 3.1Å; L11-D13 VanDerWaalsContact C-N 3.34Å; D13-V15 PolarHBondContact O-N 3.29Å; D13-Q16 PolarHBondContact O-N 3Å
14L97Very high94.8Very high12 Ų1257.7 Ų57.76%0.06330%0.303CS..Hα-helixtrans-61.8-41176.9-74.6177.4000112.8I10 L11 Q16 Q17 N20 F41 M75 Q76I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.43Å; L11-L14 HydrophobicContact CD2-CD1 4.27Å; L11-L14 PolarHBondContact O-N 3.36Å; L14-Q16 PolarHBondContact O-N 3Å; L14-Q17 WeakPolarHBondContact O-CB 3.47Å; L14-Q17 PolarHBondContact O-N 3.45Å; L14-Q17 VanDerWaalsContact O-N 3.13Å; L14-N20 VanDerWaalsContact O-CB 3.3Å; L14-N20 WeakPolarHBondContact O-CB 3.24Å; L14-N20 PolarHBondContact O-ND2 2.9Å; L14-F41 HydrophobicContact CB-CE2 4.37Å; L14-F41 HydrophobicContact CB-CZ 3.8Å; L14-F41 HydrophobicContact CD1-CZ 4.16Å; L14-M75 HydrophobicContact CD1-CB 4.25Å; L14-Q76 HydrophobicContact CD1-CB 4.44Å; L14-Q76 HydrophobicContact CD1-CG 3.7Å; L14-Q76 HydrophobicContact CD2-CG 4.2Å; L14-Q76 HydrophobicContact CG-CG 4.36Å
15V96.6Very high95.7Very high5 Ų554.9 Ų54.93%0.0329%0.29CS..Hα-helixtrans-71.2-21.3-176.782.30000112.6L11 L12 D13 Q17 N20 N21 P31 F41 I62L11-V15 PolarHBondContact O-N 3.22Å; L12-V15 WeakPolarHBondContact O-CG1 3.22Å; D13-V15 PolarHBondContact O-N 3.29Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; V15-N20 CarbonylContact O-C 3.33Å; V15-N20 VanDerWaalsContact O-C 3.24Å; V15-N21 WeakPolarHBondContact O-CA 3.35Å; V15-N21 PolarHBondContact O-N 3.49Å; V15-N21 VanDerWaalsContact O-N 3.08Å; V15-P31 HydrophobicContact CG2-CB 4.46Å; V15-P31 HydrophobicContact CG2-CG 3.63Å; V15-P31 VanDerWaalsContact CG2-O 3.23Å; V15-P31 WeakPolarHBondContact CG2-O 3.14Å; V15-F41 HydrophobicContact CB-CD1 4.2Å; V15-F41 HydrophobicContact CB-CE1 4.36Å; V15-F41 HydrophobicContact CG2-CB 4.15Å; V15-F41 HydrophobicContact CG2-CD1 3.89Å; V15-F41 HydrophobicContact CG2-CG 4.08Å; V15-I62 HydrophobicContact CB-CD1 4.23Å; V15-I62 HydrophobicContact CG2-CD1 4.13Å
16Q95.5Very high96.3Very high118 Ų11851.1 Ų51.155%0.55126%0.264SS*.THydrogen-bonded Turntrans-80.9-11.2173.8-63.3-59-38.200113L12 D13 L14L12-Q16 WeakPolarHBondContact O-CG 3.33Å; D13-Q16 PolarHBondContact O-N 3Å; L14-Q16 PolarHBondContact O-N 3Å
17Q95.8Very high96.5Very high97 Ų9746.8 Ų46.845%0.45326%0.255SS..SBendtrans-67.4147179.5-63.5-175.71.500111.5L14 V15 G19 N20 N21L14-Q17 WeakPolarHBondContact O-CB 3.47Å; L14-Q17 PolarHBondContact O-N 3.45Å; L14-Q17 VanDerWaalsContact O-N 3.13Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; Q17-G19 PolarHBondContact O-N 3.29Å; Q17-N20 PolarHBondContact O-N 2.73Å; Q17-N21 PolarHBondContact O-N 3.26Å
18P94.5Very high96.7Very high120 Ų12046.9 Ų46.978%0.77926%0.256SS*.THydrogen-bonded Turntrans-52.4127.2175.3-2735000112.2
19G92.4Very high96.9Very high33 Ų3349.5 Ų49.534%0.3428%0.275SS..THydrogen-bonded Turntrans96.3-30.8-177.400000113.5Q17 N21 N80Q17-G19 PolarHBondContact O-N 3.29Å; G19-N21 PolarHBondContact N-OD1 2.81Å; G19-N80 WeakPolarHBondContact O-CB 3.41Å; G19-N80 PolarHBondContact O-ND2 2.6Å
20N97.6Very high96.9Very high9 Ų950.2 Ų50.25%0.04828%0.28CS..THydrogen-bonded Turntrans-90.5-20.1174.3-64.5-23.7000112.9L14 V15 Q17 Q22 P31 F41 N80L14-N20 VanDerWaalsContact O-CB 3.3Å; L14-N20 WeakPolarHBondContact O-CB 3.24Å; L14-N20 PolarHBondContact O-ND2 2.9Å; V15-N20 CarbonylContact O-C 3.33Å; V15-N20 VanDerWaalsContact O-C 3.24Å; Q17-N20 PolarHBondContact O-N 2.73Å; N20-Q22 PolarHBondContact O-N 3.25Å; N20-P31 WeakPolarHBondContact O-CG 3.47Å; N20-F41 HydrophobicContact CB-CD2 3.74Å; N20-F41 HydrophobicContact CB-CE2 4.16Å; N20-F41 HydrophobicContact CB-CG 4.43Å; N20-N80 PolarHBondContact OD1-N 3.18Å
21N96.7Very high96.9Very high68 Ų6848.2 Ų48.236%0.36427%0.27SS..SBendtrans-70.21.5-178.368-38000115.1V15 Q17 G19 E30V15-N21 WeakPolarHBondContact O-CA 3.35Å; V15-N21 PolarHBondContact O-N 3.49Å; V15-N21 VanDerWaalsContact O-N 3.08Å; Q17-N21 PolarHBondContact O-N 3.26Å; G19-N21 PolarHBondContact N-OD1 2.81Å; N21-E30 PolarHBondContact O-N 2.77Å; N21-E30 VanDerWaalsContact O-N 3.13Å
22Q98Very high96.9Very high102 Ų10250.9 Ų50.948%0.47729%0.285SS..BIsolated β-bridgetrans-131.8144.9171.7-67.1179.7-7.200109.2N20 A24 A28 N80N20-Q22 PolarHBondContact O-N 3.25Å; Q22-A24 PolarHBondContact O-N 3.35Å; Q22-A28 CarbonylContact C-O 3.53Å; Q22-A28 WeakPolarHBondContact CA-O 3.44Å; Q22-N80 PolarHBondContact O-ND2 2.83Å
23C98.6Very high97Very high4 Ų449.9 Ų49.93%0.02728%0.278CS..  trans-53.3128.8174.2176.10000110.8D25 A27 A28 C43 C46C23-D25 PolarHBondContact O-N 3.3Å; C23-A27 WeakPolarHBondContact O-CA 3.09Å; C23-A27 PolarHBondContact O-N 3.03Å; C23-A28 HydrophobicContact CB-CB 4.08Å; C23-A28 WeakPolarHBondContact CB-O 3.19Å; C23-A28 PolarHBondContact N-O 3.15Å; C23-C43 HydrophobicContact CB-CB 4.11Å; C23-C43 PolarHBondContact SG-N 3.2Å; C23-C46 VanDerWaalsContact SG-SG 3.7Å
24A98.6Very high97Very high20 Ų2045.4 Ų45.417%0.16525%0.254CS..THydrogen-bonded Turntrans-59.2-17.6-177.900000114.7Q22 V40 F41 V42 N80 K114Q22-A24 PolarHBondContact O-N 3.35Å; A24-V40 HydrophobicContact CB-CB 3.92Å; A24-V40 HydrophobicContact CB-CG1 4.19Å; A24-F41 WeakPolarHBondContact CB-O 3.21Å; A24-F41 PolarHBondContact N-O 3.07Å; A24-V42 HydrophobicContact CB-CG1 4.16Å; A24-N80 HydrophobicContact CB-CB 4.43Å; A24-K114 PolarHBondContact O-NZ 3.15Å; A24-K114 VanDerWaalsContact O-NZ 3.07Å
25D98.6Very high97.1Very high6 Ų644.8 Ų44.83%0.03225%0.251CS..THydrogen-bonded Turntrans-116.5-32.6-170.2-54.6-46.3000114.6C23 V42 C46 H50 W110 I111 K114 Y115C23-D25 PolarHBondContact O-N 3.3Å; D25-V42 VanDerWaalsContact OD2-CG1 3.24Å; D25-V42 WeakPolarHBondContact OD2-CG1 3.34Å; D25-C46 HydrophobicContact CB-CB 4.46Å; D25-H50 IonicContact OD2-CD2 3.75Å; D25-H50 IonicContact OD2-NE2 3.05Å; D25-H50 PolarHBondContact OD2-NE2 3.08Å; D25-W110 PolarHBondContact O-NE1 2.75Å; D25-I111 HydrophobicContact CB-CD1 4.17Å; D25-I111 HydrophobicContact CB-CG1 3.8Å; D25-K114 IonicContact OD1-NZ 2.83Å; D25-K114 PolarHBondContact OD1-NZ 3.4Å; D25-Y115 VanDerWaalsContact OD1-CE2 3.24Å; D25-Y115 WeakPolarHBondContact OD1-CE2 3.39Å; D25-Y115 PolarHBondContact OD1-OH 2.83Å
26C98.3Very high97.2Very high2 Ų247.2 Ų47.21%0.01426%0.259CS..THydrogen-bonded Turntrans-1284.9-178.172.50000114.2A28 C43 P98 Q99 E100 K107C26-A28 PolarHBondContact O-N 2.82Å; C26-A28 VanDerWaalsContact SG-CB 3.58Å; C26-C43 VanDerWaalsContact SG-SG 3.64Å; C26-P98 WeakPolarHBondContact CA-O 3.41Å; C26-Q99 CarbonylContact O-C 3.51Å; C26-Q99 VanDerWaalsContact O-C 3.31Å; C26-Q99 WeakPolarHBondContact O-CA 3.37Å; C26-E100 PolarHBondContact O-N 3.32Å; C26-K107 HydrophobicContact CB-CD 3.93Å; C26-K107 HydrophobicContact CB-CG 4.36Å
27A97.8Very high97.3Very high36 Ų3644.1 Ų44.130%0.29825%0.249SC..  trans59.310.7-178.800000116C23C23-A27 WeakPolarHBondContact O-CA 3.09Å; C23-A27 PolarHBondContact O-N 3.03Å
28A98Very high97.4Very high4 Ų440 Ų403%0.03323%0.23CC..  trans-53.2135.4170.900000110.2Q22 C23 C26 C43 E100Q22-A28 CarbonylContact C-O 3.53Å; Q22-A28 WeakPolarHBondContact CA-O 3.44Å; C23-A28 HydrophobicContact CB-CB 4.08Å; C23-A28 WeakPolarHBondContact CB-O 3.19Å; C23-A28 PolarHBondContact N-O 3.15Å; C26-A28 PolarHBondContact O-N 2.82Å; C26-A28 VanDerWaalsContact SG-CB 3.58Å; A28-C43 HydrophobicContact CB-CB 4.07Å; A28-E100 HydrophobicContact CB-CB 4.01Å; A28-E100 HydrophobicContact CB-CG 3.79Å
29P97Very high97.6Very high82 Ų8234.3 Ų34.353%0.53219%0.193SC..BIsolated β-bridgetrans-67.5159.9-177.930.2-35.6000111.5
30E95.1Very high97.9Very high151 Ų15132.8 Ų32.871%0.70618%0.177SC*.SBendtrans51.858168.9-59.1-178.8-174.100114.4N21 D32N21-E30 PolarHBondContact O-N 2.77Å; N21-E30 VanDerWaalsContact O-N 3.13Å; E30-D32 PolarHBondContact O-N 2.73Å
31P97.5Very high97.9Very high3 Ų332.3 Ų32.32%0.01918%0.175CC..  trans-60.3138.3178.224.6-30.7000111.4V15 N20 F41 V42V15-P31 HydrophobicContact CG2-CB 4.46Å; V15-P31 HydrophobicContact CG2-CG 3.63Å; V15-P31 VanDerWaalsContact CG2-O 3.23Å; V15-P31 WeakPolarHBondContact CG2-O 3.14Å; N20-P31 WeakPolarHBondContact O-CG 3.47Å; P31-F41 HydrophobicContact CB-CB 4.29Å; P31-F41 HydrophobicContact CG-CB 3.98Å; P31-V42 VanDerWaalsContact CB-O 3.3Å; P31-V42 WeakPolarHBondContact CB-O 3.47Å
32D97.3Very high98Very high56 Ų5629.1 Ų29.130%0.29916%0.157SC..  trans-117.43.3-174.363.8-41.2000113.2E30 V42 L44 I62E30-D32 PolarHBondContact O-N 2.73Å; D32-V42 PolarHBondContact N-O 3.39Å; D32-L44 PolarHBondContact OD1-N 3.43Å; D32-L44 VanDerWaalsContact OD1-N 3.15Å; D32-I62 PolarHBondContact O-N 3.02Å
33W98.6Very high98.1Very high25 Ų2524.8 Ų24.810%0.09514%0.138CC..EExtended strand (participates in β ladder)trans-124.4158.4175.7-6771.9000110.8F41 V42 L44 V59 K60 S61W33-F41 CarbonylContact O-C 3.53Å; W33-F41 WeakPolarHBondContact O-CA 3.14Å; W33-V42 CarbonylContact C-O 3.57Å; W33-V42 WeakPolarHBondContact CA-O 3.33Å; W33-V42 HydrophobicContact CB-CG2 4.03Å; W33-V42 WeakPolarHBondContact CB-O 3.3Å; W33-V42 PolarHBondContact N-O 3.21Å; W33-V42 PolarHBondContact O-N 3.24Å; W33-L44 HydrophobicContact CZ2-CD1 3.82Å; W33-L44 VanDerWaalsContact NE1-CD1 3.35Å; W33-V59 HydrophobicContact CE3-CB 4.41Å; W33-V59 HydrophobicContact CE3-CG2 4.38Å; W33-K60 WeakPolarHBondContact CA-O 3.41Å; W33-S61 VanDerWaalsContact CE3-N 3.28Å; W33-S61 VanDerWaalsContact CZ3-N 3.34Å
34A98.6Very high98Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-139.3141.9172.700000111.4V40 F41 V59 K60 I62 W67 M75A34-V40 CarbonylContact C-O 3.48Å; A34-V40 WeakPolarHBondContact CA-O 3.45Å; A34-F41 HydrophobicContact CB-CD1 3.88Å; A34-F41 HydrophobicContact CB-CE1 4.14Å; A34-V59 CarbonylContact O-C 3.59Å; A34-V59 VanDerWaalsContact O-CA 3.22Å; A34-V59 WeakPolarHBondContact O-CA 3.34Å; A34-K60 PolarHBondContact N-O 3.33Å; A34-K60 PolarHBondContact O-N 2.89Å; A34-I62 HydrophobicContact CB-CG1 4.46Å; A34-W67 HydrophobicContact CB-CH2 3.7Å; A34-W67 HydrophobicContact CB-CZ2 4.08Å; A34-M75 HydrophobicContact CB-CE 3.76Å; A34-M75 HydrophobicContact CB-SD 4.37Å
35S98.6Very high98Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-88.9107.5165.8179.70000109.2T37 L38 G39 V40 S57 K58S35-T37 VanDerWaalsContact C-N 3.26Å; S35-T37 PolarHBondContact O-N 3.07Å; S35-L38 PolarHBondContact O-N 3.23Å; S35-L38 PolarHBondContact OG-N 2.91Å; S35-G39 WeakPolarHBondContact O-CA 3.3Å; S35-G39 PolarHBondContact O-N 3.05Å; S35-V40 PolarHBondContact N-O 2.88Å; S35-V40 PolarHBondContact O-N 3.47Å; S35-S57 WeakPolarHBondContact CB-OG 3.47Å; S35-S57 PolarHBondContact OG-OG 3.32Å; S35-K58 CarbonylContact C-O 3.57Å; S35-K58 VanDerWaalsContact CA-O 3.23Å; S35-K58 WeakPolarHBondContact CA-O 3.44Å; S35-K58 PolarHBondContact OG-O 3.41Å
36Y97.8Very high98Very high55 Ų5532.6 Ų32.622%0.21618%0.177CC..THydrogen-bonded Turntrans-82.6-2.2-176.264.8-96.5000113.3K58 K60 L71 F74Y36-K58 HydrophobicContact CD1-CB 4.28Å; Y36-K58 WeakPolarHBondContact CD1-O 3.43Å; Y36-K58 HydrophobicContact CE1-CB 3.51Å; Y36-K58 WeakPolarHBondContact CE1-O 3.4Å; Y36-K58 HydrophobicContact CE2-CB 3.83Å; Y36-K58 HydrophobicContact CE2-CD 4.06Å; Y36-K58 PolarHBondContact N-O 3.04Å; Y36-K58 VanDerWaalsContact OH-CB 3.29Å; Y36-K58 WeakPolarHBondContact OH-CB 3.44Å; Y36-K58 WeakPolarHBondContact OH-CD 3.41Å; Y36-K60 HydrophobicContact CD1-CB 4.33Å; Y36-K60 HydrophobicContact CD1-CD 4.05Å; Y36-K60 HydrophobicContact CD1-CG 3.95Å; Y36-K60 HydrophobicContact CE1-CD 4Å; Y36-K60 HydrophobicContact CE1-CG 3.77Å; Y36-L71 HydrophobicContact CD1-CD1 4.37Å; Y36-L71 HydrophobicContact CD2-CD1 3.82Å; Y36-L71 HydrophobicContact CD2-CD2 3.7Å; Y36-L71 HydrophobicContact CD2-CG 4.41Å; Y36-L71 HydrophobicContact CE2-CD1 4.22Å; Y36-L71 HydrophobicContact CE2-CD2 4.36Å; Y36-L71 HydrophobicContact CG-CD1 3.89Å; Y36-L71 HydrophobicContact CG-CD2 4.3Å; Y36-F74 WeakPolarHBondContact O-CD1 3.39Å; Y36-F74 WeakPolarHBondContact O-CE1 3.35Å
37T98.1Very high98Very high54 Ų5432.6 Ų32.633%0.33118%0.176SC..THydrogen-bonded Turntrans-95.8-29.5168.954.80000112.3S35 V56 S57 K58S35-T37 VanDerWaalsContact C-N 3.26Å; S35-T37 PolarHBondContact O-N 3.07Å; T37-V56 PolarHBondContact OG1-O 3.39Å; T37-S57 VanDerWaalsContact OG1-CA 3.28Å; T37-S57 WeakPolarHBondContact OG1-CA 3.19Å; T37-K58 HydrophobicContact CG2-CB 3.88Å; T37-K58 HydrophobicContact CG2-CD 3.94Å; T37-K58 HydrophobicContact CG2-CG 3.86Å; T37-K58 PolarHBondContact OG1-N 3.11Å
38L98.3Very high98Very high11 Ų1132.3 Ų32.36%0.05818%0.177CC..THydrogen-bonded Turntrans-95.1-26.5179.6-64.8173.3000112.8S35 V40 V56 R78 F87 Y115S35-L38 PolarHBondContact O-N 3.23Å; S35-L38 PolarHBondContact OG-N 2.91Å; L38-V40 HydrophobicContact CB-CG2 4.05Å; L38-V56 HydrophobicContact CD2-CG1 4.14Å; L38-R78 PolarHBondContact O-NH2 2.97Å; L38-F87 HydrophobicContact CD2-CE2 4.35Å; L38-F87 HydrophobicContact CD2-CZ 3.87Å; L38-Y115 HydrophobicContact CD1-CD1 3.81Å; L38-Y115 HydrophobicContact CD1-CD2 3.96Å; L38-Y115 HydrophobicContact CD1-CE1 4.25Å; L38-Y115 HydrophobicContact CD1-CE2 4.39Å; L38-Y115 HydrophobicContact CD1-CG 3.65Å; L38-Y115 HydrophobicContact CD2-CD1 4.15Å; L38-Y115 HydrophobicContact CD2-CG 4.42Å
39G98.2Very high98Very high0 Ų033 Ų330%018%0.18CC..THydrogen-bonded Turntrans79.440.3-177.100000112.6S35 G79S35-G39 WeakPolarHBondContact O-CA 3.3Å; S35-G39 PolarHBondContact O-N 3.05Å; G39-G79 CarbonylContact O-C 3.59Å; G39-G79 WeakPolarHBondContact O-CA 3.16Å; G39-G79 PolarHBondContact O-N 3.43Å
40V98.7Very high98.1Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-126147.9-178.7-64.70000112.5A24 A34 S35 L38 V42 N80 A83A24-V40 HydrophobicContact CB-CB 3.92Å; A24-V40 HydrophobicContact CB-CG1 4.19Å; A34-V40 CarbonylContact C-O 3.48Å; A34-V40 WeakPolarHBondContact CA-O 3.45Å; S35-V40 PolarHBondContact N-O 2.88Å; S35-V40 PolarHBondContact O-N 3.47Å; L38-V40 HydrophobicContact CB-CG2 4.05Å; V40-V42 HydrophobicContact CG2-CG1 4.02Å; V40-N80 WeakPolarHBondContact CA-OD1 3.27Å; V40-A83 HydrophobicContact CG1-CB 3.2Å
41F98.8Very high98.2Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-98.5127.9170.6-61.9-82.5000110.2L14 V15 N20 A24 P31 W33 A34 I62 M75 N80L14-F41 HydrophobicContact CB-CE2 4.37Å; L14-F41 HydrophobicContact CB-CZ 3.8Å; L14-F41 HydrophobicContact CD1-CZ 4.16Å; V15-F41 HydrophobicContact CB-CD1 4.2Å; V15-F41 HydrophobicContact CB-CE1 4.36Å; V15-F41 HydrophobicContact CG2-CB 4.15Å; V15-F41 HydrophobicContact CG2-CD1 3.89Å; V15-F41 HydrophobicContact CG2-CG 4.08Å; N20-F41 HydrophobicContact CB-CD2 3.74Å; N20-F41 HydrophobicContact CB-CE2 4.16Å; N20-F41 HydrophobicContact CB-CG 4.43Å; A24-F41 WeakPolarHBondContact CB-O 3.21Å; A24-F41 PolarHBondContact N-O 3.07Å; P31-F41 HydrophobicContact CB-CB 4.29Å; P31-F41 HydrophobicContact CG-CB 3.98Å; W33-F41 CarbonylContact O-C 3.53Å; W33-F41 WeakPolarHBondContact O-CA 3.14Å; A34-F41 HydrophobicContact CB-CD1 3.88Å; A34-F41 HydrophobicContact CB-CE1 4.14Å; F41-I62 HydrophobicContact CD1-CD1 3.76Å; F41-I62 HydrophobicContact CE1-CD1 4.08Å; F41-M75 HydrophobicContact CD1-CE 4.2Å; F41-M75 HydrophobicContact CD2-CE 4.07Å; F41-M75 HydrophobicContact CE1-CE 3.81Å; F41-M75 HydrophobicContact CE2-CE 3.66Å; F41-M75 HydrophobicContact CG-CE 4.33Å; F41-M75 HydrophobicContact CZ-CB 4.46Å; F41-M75 HydrophobicContact CZ-CE 3.52Å; F41-N80 PolarHBondContact N-OD1 3.49Å; F41-N80 PolarHBondContact O-ND2 3.45Å; F41-N80 VanDerWaalsContact O-ND2 3.17Å; F41-N80 PolarHBondContact O-OD1 3.41Å
42V98.8Very high98.1Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-137.2154.2-173-62.40000110.6A24 D25 P31 D32 W33 V40 C46A24-V42 HydrophobicContact CB-CG1 4.16Å; D25-V42 VanDerWaalsContact OD2-CG1 3.24Å; D25-V42 WeakPolarHBondContact OD2-CG1 3.34Å; P31-V42 VanDerWaalsContact CB-O 3.3Å; P31-V42 WeakPolarHBondContact CB-O 3.47Å; D32-V42 PolarHBondContact N-O 3.39Å; W33-V42 CarbonylContact C-O 3.57Å; W33-V42 WeakPolarHBondContact CA-O 3.33Å; W33-V42 HydrophobicContact CB-CG2 4.03Å; W33-V42 WeakPolarHBondContact CB-O 3.3Å; W33-V42 PolarHBondContact N-O 3.21Å; W33-V42 PolarHBondContact O-N 3.24Å; V40-V42 HydrophobicContact CG2-CG1 4.02Å; V42-C46 HydrophobicContact CB-CB 4.05Å
43C98.4Very high98Very high12 Ų1230.8 Ų30.88%0.08116%0.158CC..  trans-74164.2174.369.70000111.4C23 C26 A28 N45 C46 S47C23-C43 HydrophobicContact CB-CB 4.11Å; C23-C43 PolarHBondContact SG-N 3.2Å; C26-C43 VanDerWaalsContact SG-SG 3.64Å; A28-C43 HydrophobicContact CB-CB 4.07Å; C43-N45 VanDerWaalsContact C-N 3.28Å; C43-N45 PolarHBondContact O-N 2.98Å; C43-C46 PolarHBondContact O-N 3.13Å; C43-C46 VanDerWaalsContact O-N 3.09Å; C43-S47 PolarHBondContact O-N 3.47Å
44L97.8Very high97.7Very high92 Ų9233.4 Ų33.448%0.48218%0.18SC..Hα-helixtrans-45.6-48.4174.4177.563000113.4D32 W33 C46 S47 G48D32-L44 PolarHBondContact OD1-N 3.43Å; D32-L44 VanDerWaalsContact OD1-N 3.15Å; W33-L44 HydrophobicContact CZ2-CD1 3.82Å; W33-L44 VanDerWaalsContact NE1-CD1 3.35Å; L44-C46 PolarHBondContact O-N 3.36Å; L44-S47 WeakPolarHBondContact O-CB 3.43Å; L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 3.24Å; L44-G48 PolarHBondContact O-N 3.03Å; L44-G48 VanDerWaalsContact O-N 3.15Å
45N97.7Very high97.5Very high102 Ų10239.6 Ų39.655%0.54522%0.218SC..Hα-helixtrans-61.6-44.1-179.1-71.6-32.4000112.6C43 G48C43-N45 VanDerWaalsContact C-N 3.28Å; C43-N45 PolarHBondContact O-N 2.98Å; N45-G48 PolarHBondContact O-N 2.99Å
46C98.6Very high97.4Very high0 Ų041.5 Ų41.50%023%0.23CC..Hα-helixtrans-70.9-35.4178.1-680000111.6C23 D25 V42 C43 L44 G48 M49 H50 I111C23-C46 VanDerWaalsContact SG-SG 3.7Å; D25-C46 HydrophobicContact CB-CB 4.46Å; V42-C46 HydrophobicContact CB-CB 4.05Å; C43-C46 PolarHBondContact O-N 3.13Å; C43-C46 VanDerWaalsContact O-N 3.09Å; L44-C46 PolarHBondContact O-N 3.36Å; C46-G48 PolarHBondContact O-N 3.01Å; C46-M49 HydrophobicContact CB-CE 4.31Å; C46-M49 PolarHBondContact O-N 3.35Å; C46-H50 PolarHBondContact O-CD2 3.28Å; C46-H50 VanDerWaalsContact O-CD2 3.28Å; C46-H50 PolarHBondContact O-N 2.87Å; C46-I111 HydrophobicContact CB-CD1 4.2Å
47S98.4Very high97.5Very high1 Ų139 Ų391%0.00722%0.22CC..Hα-helixtrans-55.3-38.2172.386.20000112.1C43 L44 M49 H50 R51C43-S47 PolarHBondContact O-N 3.47Å; L44-S47 WeakPolarHBondContact O-CB 3.43Å; L44-S47 PolarHBondContact O-N 3.37Å; L44-S47 PolarHBondContact O-OG 3.24Å; S47-M49 PolarHBondContact O-N 3.2Å; S47-H50 WeakPolarHBondContact O-CB 3.44Å; S47-H50 PolarHBondContact O-N 2.89Å; S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 3.45Å
48G97.9Very high97.5Very high30 Ų3041.5 Ų41.531%0.30923%0.226SC..Hα-helixtrans-60.2-43175.100000112.9L44 N45 C46 R51L44-G48 PolarHBondContact O-N 3.03Å; L44-G48 VanDerWaalsContact O-N 3.15Å; N45-G48 PolarHBondContact O-N 2.99Å; C46-G48 PolarHBondContact O-N 3.01Å; G48-R51 WeakPolarHBondContact O-CB 3.21Å; G48-R51 PolarHBondContact O-N 3.26Å
49M97.9Very high97.5Very high19 Ų1942.1 Ų42.19%0.09423%0.231CC..Hα-helixtrans-69.3-38.1175.5-69.7177.3-7800112C46 S47 R51 N52 I104 K107 E108 I111C46-M49 HydrophobicContact CB-CE 4.31Å; C46-M49 PolarHBondContact O-N 3.35Å; S47-M49 PolarHBondContact O-N 3.2Å; M49-R51 VanDerWaalsContact C-N 3.26Å; M49-R51 PolarHBondContact O-N 3.43Å; M49-N52 WeakPolarHBondContact O-CB 3.44Å; M49-N52 PolarHBondContact O-N 3.24Å; M49-N52 VanDerWaalsContact O-N 3.08Å; M49-I104 HydrophobicContact SD-CG2 4.44Å; M49-K107 HydrophobicContact CE-CB 3.6Å; M49-K107 HydrophobicContact CE-CD 4.29Å; M49-K107 HydrophobicContact SD-CB 3.79Å; M49-E108 HydrophobicContact SD-CB 3.9Å; M49-E108 PolarHBondContact SD-N 3.22Å; M49-I111 HydrophobicContact CB-CD1 3.72Å; M49-I111 HydrophobicContact CE-CD1 3.88Å; M49-I111 HydrophobicContact CG-CD1 4.5Å; M49-I111 HydrophobicContact SD-CD1 4.12Å
50H98.5Very high97.5Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-61.3-31.6174.4-87.7-99.5000113.2D25 C46 S47 N52 L53 S57 V59 Y115D25-H50 IonicContact OD2-CD2 3.75Å; D25-H50 IonicContact OD2-NE2 3.05Å; D25-H50 PolarHBondContact OD2-NE2 3.08Å; C46-H50 PolarHBondContact O-CD2 3.28Å; C46-H50 VanDerWaalsContact O-CD2 3.28Å; C46-H50 PolarHBondContact O-N 2.87Å; S47-H50 WeakPolarHBondContact O-CB 3.44Å; S47-H50 PolarHBondContact O-N 2.89Å; H50-N52 PolarHBondContact O-N 3.09Å; H50-L53 PolarHBondContact O-N 3.48Å; H50-S57 VanDerWaalsContact ND1-CB 3.34Å; H50-S57 WeakPolarHBondContact ND1-CB 3.4Å; H50-S57 PolarHBondContact ND1-OG 3.1Å; H50-V59 HydrophobicContact CB-CG1 3.63Å; H50-Y115 AromaticContact CE1-CD2 3.59Å; H50-Y115 AromaticContact CE1-CE2 3.41Å; H50-Y115 VanDerWaalsContact CE1-CE2 3.41Å; H50-Y115 WeakPolarHBondContact CE1-CE2 3.23Å; H50-Y115 AromaticContact NE2-CE2 3.57Å
51R97.6Very high97.4Very high135 Ų13543.7 Ų43.751%0.50924%0.238SC..Hα-helixtrans-63.3-26175.1-69.1172.2-169.1172.74.8112.8S47 G48 M49 L53 V59S47-R51 WeakPolarHBondContact O-CG 3.44Å; S47-R51 PolarHBondContact O-N 3.45Å; G48-R51 WeakPolarHBondContact O-CB 3.21Å; G48-R51 PolarHBondContact O-N 3.26Å; M49-R51 VanDerWaalsContact C-N 3.26Å; M49-R51 PolarHBondContact O-N 3.43Å; R51-L53 PolarHBondContact O-N 3.22Å; R51-V59 HydrophobicContact CG-CG2 3.64Å
52N95.8Very high97.3Very high106 Ų10643.8 Ų43.857%0.56724%0.238SC*.THydrogen-bonded Turntrans-76.9-1.9175.5-60.5-24.1000112.9M49 H50M49-N52 WeakPolarHBondContact O-CB 3.44Å; M49-N52 PolarHBondContact O-N 3.24Å; M49-N52 VanDerWaalsContact O-N 3.08Å; H50-N52 PolarHBondContact O-N 3.09Å
53L95.1Very high97.1Very high4 Ų451.1 Ų51.12%0.02127%0.266CS..THydrogen-bonded Turntrans-117.343.7178.5-54.2179.3000110.9H50 R51 T55 V56 S57 I111 R112 E116H50-L53 PolarHBondContact O-N 3.48Å; R51-L53 PolarHBondContact O-N 3.22Å; L53-T55 PolarHBondContact O-N 3.15Å; L53-V56 HydrophobicContact CB-CB 4.39Å; L53-V56 PolarHBondContact O-N 2.92Å; L53-S57 PolarHBondContact O-N 3.3Å; L53-I111 HydrophobicContact CD1-CG2 3.57Å; L53-R112 HydrophobicContact CD1-CG 4.35Å; L53-R112 HydrophobicContact CD2-CG 3.89Å; L53-E116 HydrophobicContact CD2-CB 4.39Å
54S92Very high96.9Very high81 Ų8157.2 Ų57.257%0.56630%0.297SS*.THydrogen-bonded Turntrans-58.3-22.6-167.659.60000115.5
55T95Very high96.9Very high129 Ų12955.6 Ų55.679%0.79129%0.289SS*.THydrogen-bonded Turntrans-76.3-23.3174.252.70000113.3L53L53-T55 PolarHBondContact O-N 3.15Å
56V96.9Very high96.8Very high41 Ų4156.1 Ų56.125%0.24828%0.284CS..THydrogen-bonded Turntrans-109.2-44.8-174.6176.20000111.2T37 L38 L53 Y115T37-V56 PolarHBondContact OG1-O 3.39Å; L38-V56 HydrophobicContact CD2-CG1 4.14Å; L53-V56 HydrophobicContact CB-CB 4.39Å; L53-V56 PolarHBondContact O-N 2.92Å; V56-Y115 WeakPolarHBondContact CG1-O 3.1Å
57S98.2Very high96.7Very high2 Ų256.1 Ų56.11%0.01428%0.284CS..  trans-123.1130.2-172.6-1770000112.1S35 T37 H50 L53S35-S57 WeakPolarHBondContact CB-OG 3.47Å; S35-S57 PolarHBondContact OG-OG 3.32Å; T37-S57 VanDerWaalsContact OG1-CA 3.28Å; T37-S57 WeakPolarHBondContact OG1-CA 3.19Å; H50-S57 VanDerWaalsContact ND1-CB 3.34Å; H50-S57 WeakPolarHBondContact ND1-CB 3.4Å; H50-S57 PolarHBondContact ND1-OG 3.1Å; L53-S57 PolarHBondContact O-N 3.3Å
58K98.3Very high96.6Very high106 Ų10659.7 Ų59.746%0.46130%0.3SS..  trans-121.5128167-56.6179.4-176.7178.30109.5S35 Y36 T37S35-K58 CarbonylContact C-O 3.57Å; S35-K58 VanDerWaalsContact CA-O 3.23Å; S35-K58 WeakPolarHBondContact CA-O 3.44Å; S35-K58 PolarHBondContact OG-O 3.41Å; Y36-K58 HydrophobicContact CD1-CB 4.28Å; Y36-K58 WeakPolarHBondContact CD1-O 3.43Å; Y36-K58 HydrophobicContact CE1-CB 3.51Å; Y36-K58 WeakPolarHBondContact CE1-O 3.4Å; Y36-K58 HydrophobicContact CE2-CB 3.83Å; Y36-K58 HydrophobicContact CE2-CD 4.06Å; Y36-K58 PolarHBondContact N-O 3.04Å; Y36-K58 VanDerWaalsContact OH-CB 3.29Å; Y36-K58 WeakPolarHBondContact OH-CB 3.44Å; Y36-K58 WeakPolarHBondContact OH-CD 3.41Å; T37-K58 HydrophobicContact CG2-CB 3.88Å; T37-K58 HydrophobicContact CG2-CD 3.94Å; T37-K58 HydrophobicContact CG2-CG 3.86Å; T37-K58 PolarHBondContact OG1-N 3.11Å
59V98.3Very high96.6Very high24 Ų2462.2 Ų62.215%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-114.2147.7-173.7-65.60000112.2W33 A34 H50 R51W33-V59 HydrophobicContact CE3-CB 4.41Å; W33-V59 HydrophobicContact CE3-CG2 4.38Å; A34-V59 CarbonylContact O-C 3.59Å; A34-V59 VanDerWaalsContact O-CA 3.22Å; A34-V59 WeakPolarHBondContact O-CA 3.34Å; H50-V59 HydrophobicContact CB-CG1 3.63Å; R51-V59 HydrophobicContact CG-CG2 3.64Å
60K98.2Very high96.6Very high32 Ų3265.1 Ų65.114%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-135146.9171-79.8178.5179.5-170.20109W33 A34 Y36 D65 Y66 W67 E68 L71W33-K60 WeakPolarHBondContact CA-O 3.41Å; A34-K60 PolarHBondContact N-O 3.33Å; A34-K60 PolarHBondContact O-N 2.89Å; Y36-K60 HydrophobicContact CD1-CB 4.33Å; Y36-K60 HydrophobicContact CD1-CD 4.05Å; Y36-K60 HydrophobicContact CD1-CG 3.95Å; Y36-K60 HydrophobicContact CE1-CD 4Å; Y36-K60 HydrophobicContact CE1-CG 3.77Å; K60-D65 VanDerWaalsContact CA-OD2 3.32Å; K60-D65 WeakPolarHBondContact CA-OD2 3.35Å; K60-D65 HydrophobicContact CB-CB 3.98Å; K60-D65 HydrophobicContact CD-CB 4.44Å; K60-D65 HydrophobicContact CG-CB 4.11Å; K60-Y66 PolarHBondContact NZ-O 2.91Å; K60-W67 HydrophobicContact CB-CH2 3.95Å; K60-W67 HydrophobicContact CB-CZ2 3.33Å; K60-W67 HydrophobicContact CD-CD2 4.25Å; K60-W67 HydrophobicContact CD-CZ2 4.42Å; K60-W67 HydrophobicContact CG-CZ2 4.47Å; K60-E68 IonicContact NZ-OE1 3.47Å; K60-E68 IonicContact NZ-OE2 2.7Å; K60-E68 PolarHBondContact NZ-OE2 2.81Å; K60-L71 HydrophobicContact CD-CD1 4.26Å
61S98Very high96.5Very high2 Ų266.4 Ų66.41%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-68.5133.6167.6175.90000109W33 R63 L64 D65 W67W33-S61 VanDerWaalsContact CE3-N 3.28Å; W33-S61 VanDerWaalsContact CZ3-N 3.34Å; S61-R63 PolarHBondContact O-N 3.37Å; S61-R63 PolarHBondContact OG-N 3.38Å; S61-L64 PolarHBondContact OG-N 2.87Å; S61-L64 VanDerWaalsContact OG-N 3.14Å; S61-D65 PolarHBondContact N-OD2 3.17Å; S61-D65 PolarHBondContact O-N 3.22Å; S61-W67 PolarHBondContact O-NE1 3.45Å
62I96.6Very high96.5Very high1 Ų160.1 Ų60.11%0.00531%0.312CS..THydrogen-bonded Turntrans-62.9-34176.6-66.2166.3000110.9L11 L12 V15 D32 A34 F41L11-I62 HydrophobicContact CB-CG2 3.66Å; L12-I62 HydrophobicContact CD2-CG2 3.91Å; L12-I62 HydrophobicContact CG-CG2 4.13Å; V15-I62 HydrophobicContact CB-CD1 4.23Å; V15-I62 HydrophobicContact CG2-CD1 4.13Å; D32-I62 PolarHBondContact O-N 3.02Å; A34-I62 HydrophobicContact CB-CG1 4.46Å; F41-I62 HydrophobicContact CD1-CD1 3.76Å; F41-I62 HydrophobicContact CE1-CD1 4.08Å
63R93.8Very high96.6Very high154 Ų15460.1 Ų60.158%0.58131%0.309SS*.THydrogen-bonded Turntrans-97.1-37.2-172.2-62.4-178.9-176.6-84.62.3113.3L12 S61L12-R63 HydrophobicContact CD2-CG 4.22Å; L12-R63 VanDerWaalsContact CD2-CZ 3.42Å; S61-R63 PolarHBondContact O-N 3.37Å; S61-R63 PolarHBondContact OG-N 3.38Å
64L95.2Very high96.7Very high141 Ų14162.6 Ų62.674%0.73832%0.32SS*.THydrogen-bonded Turntrans-98.4-28.2-166.3-55.9176.8000113.4S61S61-L64 PolarHBondContact OG-N 2.87Å; S61-L64 VanDerWaalsContact OG-N 3.14Å
65D96.5Very high97Very high58 Ų5858.8 Ų58.831%0.3129%0.293SS..SBendtrans-94.2160-174.9-69.7-39.4000112.5K60 S61K60-D65 VanDerWaalsContact CA-OD2 3.32Å; K60-D65 WeakPolarHBondContact CA-OD2 3.35Å; K60-D65 HydrophobicContact CB-CB 3.98Å; K60-D65 HydrophobicContact CD-CB 4.44Å; K60-D65 HydrophobicContact CG-CB 4.11Å; S61-D65 PolarHBondContact N-OD2 3.17Å; S61-D65 PolarHBondContact O-N 3.22Å
66Y95.9Very high97.1Very high113 Ų11357.5 Ų57.544%0.44328%0.278SS..  trans-80.5131.6171.9178.5-99.9000111.2Q4 K60 E68Q4-Y66 HydrophobicContact CB-CD2 4.35Å; Q4-Y66 HydrophobicContact CB-CE2 4.35Å; Q4-Y66 HydrophobicContact CG-CD2 4.03Å; K60-Y66 PolarHBondContact NZ-O 2.91Å; Y66-E68 HydrophobicContact CE1-CG 3.99Å
67W97.3Very high97.1Very high0 Ų061.5 Ų61.50%029%0.294CS..  trans-116.8117.9179.7-73.786.4000111.3N7 L11 A34 K60 S61 L71 V72 M75N7-W67 HydrophobicContact CB-CB 4.47Å; N7-W67 PolarHBondContact ND2-O 3.38Å; L11-W67 HydrophobicContact CD1-CB 4.05Å; L11-W67 HydrophobicContact CD1-CD2 3.38Å; L11-W67 HydrophobicContact CD1-CE3 3.87Å; L11-W67 HydrophobicContact CD1-CG 3.44Å; L11-W67 VanDerWaalsContact CD1-CG 3.44Å; L11-W67 HydrophobicContact CD1-CZ2 4.26Å; L11-W67 HydrophobicContact CD1-CZ3 4.5Å; A34-W67 HydrophobicContact CB-CH2 3.7Å; A34-W67 HydrophobicContact CB-CZ2 4.08Å; K60-W67 HydrophobicContact CB-CH2 3.95Å; K60-W67 HydrophobicContact CB-CZ2 3.33Å; K60-W67 HydrophobicContact CD-CD2 4.25Å; K60-W67 HydrophobicContact CD-CZ2 4.42Å; K60-W67 HydrophobicContact CG-CZ2 4.47Å; S61-W67 PolarHBondContact O-NE1 3.45Å; W67-L71 HydrophobicContact CE3-CB 3.81Å; W67-L71 HydrophobicContact CE3-CD1 4.28Å; W67-L71 HydrophobicContact CZ3-CB 4.13Å; W67-V72 HydrophobicContact CB-CG2 3.96Å; W67-M75 HydrophobicContact CZ3-CG 4.01Å
68E96.6Very high97Very high75 Ų7565.7 Ų65.735%0.3531%0.309SS..  trans-67.3148.9169.9-58.285.5-178.100111.1K60 Y66 S70 L71 V72K60-E68 IonicContact NZ-OE1 3.47Å; K60-E68 IonicContact NZ-OE2 2.7Å; K60-E68 PolarHBondContact NZ-OE2 2.81Å; Y66-E68 HydrophobicContact CE1-CG 3.99Å; E68-S70 PolarHBondContact O-N 2.92Å; E68-L71 HydrophobicContact CB-CG 4.36Å; E68-L71 PolarHBondContact O-N 3.5Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.37Å; E68-L71 WeakPolarHBondContact OE2-CG 3.48Å; E68-V72 PolarHBondContact O-N 3.41Å; E68-V72 VanDerWaalsContact O-N 3.11Å
69D96.8Very high96.9Very high83 Ų8360.7 Ų60.744%0.44429%0.288SS..Hα-helixtrans-54.2-39.4178.6-74.84000112.3R6 N7 L71 V72 Q73R6-D69 IonicContact CZ-OD2 3.33Å; R6-D69 IonicContact NH2-OD1 3.99Å; R6-D69 PolarHBondContact NH2-OD1 3.03Å; R6-D69 IonicContact NH2-OD2 3.28Å; R6-D69 PolarHBondContact NH2-OD2 3.32Å; N7-D69 PolarHBondContact ND2-OD1 3.46Å; N7-D69 PolarHBondContact OD1-OD1 2.81Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.25Å; D69-V72 PolarHBondContact O-N 2.93Å; D69-Q73 WeakPolarHBondContact O-CB 3.43Å; D69-Q73 PolarHBondContact O-N 2.83Å
70S97.1Very high96.9Very high80 Ų8060.1 Ų60.156%0.55928%0.284SS*.Hα-helixtrans-65-35.5178.2560000113.2E68 F74E68-S70 PolarHBondContact O-N 2.92Å; S70-F74 WeakPolarHBondContact O-CB 2.94Å; S70-F74 PolarHBondContact O-N 3.49Å
71L97.8Very high96.9Very high28 Ų2861.9 Ų61.915%0.14730%0.301CS..Hα-helixtrans-71.2-39.4175.6-64.2-166.8000111.2Y36 K60 W67 E68 D69 F74 M75Y36-L71 HydrophobicContact CD1-CD1 4.37Å; Y36-L71 HydrophobicContact CD2-CD1 3.82Å; Y36-L71 HydrophobicContact CD2-CD2 3.7Å; Y36-L71 HydrophobicContact CD2-CG 4.41Å; Y36-L71 HydrophobicContact CE2-CD1 4.22Å; Y36-L71 HydrophobicContact CE2-CD2 4.36Å; Y36-L71 HydrophobicContact CG-CD1 3.89Å; Y36-L71 HydrophobicContact CG-CD2 4.3Å; K60-L71 HydrophobicContact CD-CD1 4.26Å; W67-L71 HydrophobicContact CE3-CB 3.81Å; W67-L71 HydrophobicContact CE3-CD1 4.28Å; W67-L71 HydrophobicContact CZ3-CB 4.13Å; E68-L71 HydrophobicContact CB-CG 4.36Å; E68-L71 PolarHBondContact O-N 3.5Å; E68-L71 WeakPolarHBondContact OE2-CD1 3.37Å; E68-L71 WeakPolarHBondContact OE2-CG 3.48Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.25Å; L71-F74 PolarHBondContact O-N 2.73Å; L71-M75 WeakPolarHBondContact O-CG 3.08Å; L71-M75 PolarHBondContact O-N 3.11Å
72V97.6Very high96.8Very high2 Ų265.1 Ų65.11%0.01232%0.32CS..Hα-helixtrans-62.8-45.9175.41790000110.2N7 I10 L11 W67 E68 D69 F74 M75 Q76N7-V72 HydrophobicContact CB-CG2 3.74Å; I10-V72 HydrophobicContact CB-CG1 4.02Å; I10-V72 HydrophobicContact CD1-CG1 4.32Å; I10-V72 HydrophobicContact CG2-CG1 3.58Å; L11-V72 HydrophobicContact CD1-CG2 4.2Å; L11-V72 HydrophobicContact CD2-CG1 4.46Å; L11-V72 HydrophobicContact CD2-CG2 4.49Å; L11-V72 HydrophobicContact CG-CG1 4.47Å; L11-V72 HydrophobicContact CG-CG2 4.26Å; W67-V72 HydrophobicContact CB-CG2 3.96Å; E68-V72 PolarHBondContact O-N 3.41Å; E68-V72 VanDerWaalsContact O-N 3.11Å; D69-V72 PolarHBondContact O-N 2.93Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 3.32Å; V72-M75 PolarHBondContact O-N 3.03Å; V72-M75 VanDerWaalsContact O-N 3.1Å; V72-Q76 HydrophobicContact CG1-CG 4.47Å; V72-Q76 WeakPolarHBondContact O-CG 3.14Å; V72-Q76 PolarHBondContact O-N 3.27Å
73Q97.6Very high96.9Very high106 Ų10665.1 Ų65.150%0.49532%0.32SS..Hα-helixtrans-58.4-45.5176-174.6-177.4-1900111.4D69 M75 Q76 E77D69-Q73 WeakPolarHBondContact O-CB 3.43Å; D69-Q73 PolarHBondContact O-N 2.83Å; Q73-M75 VanDerWaalsContact C-N 3.29Å; Q73-M75 PolarHBondContact O-N 2.9Å; Q73-Q76 WeakPolarHBondContact O-CB 3.44Å; Q73-Q76 PolarHBondContact O-N 3.12Å; Q73-Q76 VanDerWaalsContact O-N 3.09Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.41Å; Q73-E77 PolarHBondContact NE2-OE1 3.14Å; Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 3.49Å
74F98.1Very high97Very high57 Ų5763 Ų6325%0.2532%0.316CS..Hα-helixtrans-57.9-40.9174.8177.3-99.9000112.3Y36 S70 L71 V72 E77 R78Y36-F74 WeakPolarHBondContact O-CD1 3.39Å; Y36-F74 WeakPolarHBondContact O-CE1 3.35Å; S70-F74 WeakPolarHBondContact O-CB 2.94Å; S70-F74 PolarHBondContact O-N 3.49Å; L71-F74 PolarHBondContact O-N 2.73Å; V72-F74 VanDerWaalsContact C-N 3.33Å; V72-F74 PolarHBondContact O-N 3.32Å; F74-E77 PolarHBondContact O-N 2.98Å; F74-R78 HydrophobicContact CD2-CG 4.28Å; F74-R78 HydrophobicContact CE1-CG 4.27Å; F74-R78 HydrophobicContact CE2-CG 3.98Å; F74-R78 HydrophobicContact CZ-CG 3.98Å; F74-R78 WeakPolarHBondContact O-CB 3.4Å; F74-R78 WeakPolarHBondContact O-CG 3.28Å; F74-R78 PolarHBondContact O-N 3.38Å
75M98.2Very high97.1Very high0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-67.8-35175.6-66.8-58-57.500112.7L11 L14 A34 F41 W67 L71 V72 Q73 R78L11-M75 HydrophobicContact CD2-CB 4.02Å; L11-M75 HydrophobicContact CD2-CG 4.17Å; L14-M75 HydrophobicContact CD1-CB 4.25Å; A34-M75 HydrophobicContact CB-CE 3.76Å; A34-M75 HydrophobicContact CB-SD 4.37Å; F41-M75 HydrophobicContact CD1-CE 4.2Å; F41-M75 HydrophobicContact CD2-CE 4.07Å; F41-M75 HydrophobicContact CE1-CE 3.81Å; F41-M75 HydrophobicContact CE2-CE 3.66Å; F41-M75 HydrophobicContact CG-CE 4.33Å; F41-M75 HydrophobicContact CZ-CB 4.46Å; F41-M75 HydrophobicContact CZ-CE 3.52Å; W67-M75 HydrophobicContact CZ3-CG 4.01Å; L71-M75 WeakPolarHBondContact O-CG 3.08Å; L71-M75 PolarHBondContact O-N 3.11Å; V72-M75 PolarHBondContact O-N 3.03Å; V72-M75 VanDerWaalsContact O-N 3.1Å; Q73-M75 VanDerWaalsContact C-N 3.29Å; Q73-M75 PolarHBondContact O-N 2.9Å; M75-R78 CarbonylContact O-C 3.53Å; M75-R78 PolarHBondContact O-N 3.18Å
76Q96.6Very high97.1Very high103 Ų10361 Ų6148%0.48131%0.312SS..Hα-helixtrans-65.5-36.6175.3-70.5178.6-70.200112.5I10 L14 V72 Q73 R78I10-Q76 HydrophobicContact CG2-CG 4.04Å; L14-Q76 HydrophobicContact CD1-CB 4.44Å; L14-Q76 HydrophobicContact CD1-CG 3.7Å; L14-Q76 HydrophobicContact CD2-CG 4.2Å; L14-Q76 HydrophobicContact CG-CG 4.36Å; V72-Q76 HydrophobicContact CG1-CG 4.47Å; V72-Q76 WeakPolarHBondContact O-CG 3.14Å; V72-Q76 PolarHBondContact O-N 3.27Å; Q73-Q76 WeakPolarHBondContact O-CB 3.44Å; Q73-Q76 PolarHBondContact O-N 3.12Å; Q73-Q76 VanDerWaalsContact O-N 3.09Å; Q76-R78 VanDerWaalsContact C-N 3.26Å
77E95.9Very high97.2Very high125 Ų12556.2 Ų56.258%0.58429%0.293SS*.Hα-helixtrans-78.6-11.6177.7-67.8171.8-169.900112.9Q73 F74Q73-E77 WeakPolarHBondContact CG-OE1 3.41Å; Q73-E77 PolarHBondContact NE2-OE1 3.14Å; Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 3.49Å; F74-E77 PolarHBondContact O-N 2.98Å
78R96.6Very high97.1Very high89 Ų8957.2 Ų57.234%0.33630%0.298SS..  trans-119.4-139.5-176.2-59.7-69-76.2-120.9-8.2110.2L38 F74 M75 Q76L38-R78 PolarHBondContact O-NH2 2.97Å; F74-R78 HydrophobicContact CD2-CG 4.28Å; F74-R78 HydrophobicContact CE1-CG 4.27Å; F74-R78 HydrophobicContact CE2-CG 3.98Å; F74-R78 HydrophobicContact CZ-CG 3.98Å; F74-R78 WeakPolarHBondContact O-CB 3.4Å; F74-R78 WeakPolarHBondContact O-CG 3.28Å; F74-R78 PolarHBondContact O-N 3.38Å; M75-R78 CarbonylContact O-C 3.53Å; M75-R78 PolarHBondContact O-N 3.18Å; Q76-R78 VanDerWaalsContact C-N 3.26Å
79G96.7Very high97.1Very high2 Ų260.9 Ų60.92%0.02131%0.312CS..  trans114.5171.7-174.600000112.7G39 S81 V82 A83G39-G79 CarbonylContact O-C 3.59Å; G39-G79 WeakPolarHBondContact O-CA 3.16Å; G39-G79 PolarHBondContact O-N 3.43Å; G79-S81 VanDerWaalsContact C-N 3.33Å; G79-S81 PolarHBondContact O-N 2.98Å; G79-V82 PolarHBondContact O-N 2.87Å; G79-A83 PolarHBondContact O-N 2.92Å
80N98.4Very high96.9Very high11 Ų1159.2 Ų59.26%0.05931%0.307CS..Hα-helixtrans-64.4-37.6-169.2-70.80.1000112.3G19 N20 Q22 A24 V40 F41 A83 K84G19-N80 WeakPolarHBondContact O-CB 3.41Å; G19-N80 PolarHBondContact O-ND2 2.6Å; N20-N80 PolarHBondContact OD1-N 3.18Å; Q22-N80 PolarHBondContact O-ND2 2.83Å; A24-N80 HydrophobicContact CB-CB 4.43Å; V40-N80 WeakPolarHBondContact CA-OD1 3.27Å; F41-N80 PolarHBondContact N-OD1 3.49Å; F41-N80 PolarHBondContact O-ND2 3.45Å; F41-N80 VanDerWaalsContact O-ND2 3.17Å; F41-N80 PolarHBondContact O-OD1 3.41Å; N80-A83 PolarHBondContact O-N 3.17Å; N80-K84 VanDerWaalsContact O-CB 3.24Å; N80-K84 WeakPolarHBondContact O-CB 3.08Å; N80-K84 PolarHBondContact O-N 3.01Å
81S97.1Very high96.7Very high70 Ų7057 Ų5749%0.4929%0.288SS..Hα-helixtrans-63-43.2177.5-60.50000112G79 K84 A85G79-S81 VanDerWaalsContact C-N 3.33Å; G79-S81 PolarHBondContact O-N 2.98Å; S81-K84 PolarHBondContact O-N 2.98Å; S81-A85 PolarHBondContact O-N 2.97Å
82V96.8Very high96.5Very high69 Ų6956.4 Ų56.442%0.41829%0.286SS..Hα-helixtrans-65.6-46.5176.71790000110.2G79 K84 A85 F86G79-V82 PolarHBondContact O-N 2.87Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.41Å; V82-A85 PolarHBondContact O-N 3.03Å; V82-F86 PolarHBondContact O-N 2.79Å
83A97.4Very high96.3Very high1 Ų157.9 Ų57.91%0.00830%0.299CS..Hα-helixtrans-61.8-41.1177.800000112.1V40 G79 N80 F86 F87V40-A83 HydrophobicContact CG1-CB 3.2Å; G79-A83 PolarHBondContact O-N 2.92Å; N80-A83 PolarHBondContact O-N 3.17Å; A83-F86 PolarHBondContact O-N 3.14Å; A83-F87 HydrophobicContact CB-CD2 4.1Å; A83-F87 WeakPolarHBondContact O-CB 2.89Å; A83-F87 WeakPolarHBondContact O-CD2 3.47Å; A83-F87 PolarHBondContact O-N 3.26Å
84K97.3Very high96.1Very high111 Ų11153.9 Ų53.948%0.48328%0.28SS..Hα-helixtrans-63-45.4176.4-177.6172-176.2175.20111.7N80 S81 V82 F86 E88N80-K84 VanDerWaalsContact O-CB 3.24Å; N80-K84 WeakPolarHBondContact O-CB 3.08Å; N80-K84 PolarHBondContact O-N 3.01Å; S81-K84 PolarHBondContact O-N 2.98Å; V82-K84 VanDerWaalsContact C-N 3.34Å; V82-K84 PolarHBondContact O-N 3.41Å; K84-F86 PolarHBondContact O-N 2.97Å; K84-E88 HydrophobicContact CG-CB 4.29Å; K84-E88 HydrophobicContact CG-CG 4.48Å; K84-E88 WeakPolarHBondContact O-CA 3.38Å; K84-E88 WeakPolarHBondContact O-CB 3.4Å; K84-E88 PolarHBondContact O-N 3.45Å
85A96.9Very high95.9Very high72 Ų7251.9 Ų51.960%0.59527%0.271SS*.Hα-helixtrans-60-27.3177.600000113S81 V82 K89S81-A85 PolarHBondContact O-N 2.97Å; V82-A85 PolarHBondContact O-N 3.03Å; A85-K89 WeakPolarHBondContact O-CB 3.42Å
86F96.6Very high95.8Very high85 Ų8553 Ų5337%0.37328%0.275SS..Hα-helixtrans-93.7-57.9179.9-175.6-107.9000113.6V82 A83 K84 E88 T121V82-F86 PolarHBondContact O-N 2.79Å; A83-F86 PolarHBondContact O-N 3.14Å; K84-F86 PolarHBondContact O-N 2.97Å; F86-E88 VanDerWaalsContact C-N 3.35Å; F86-E88 PolarHBondContact O-N 3.1Å; F86-T121 HydrophobicContact CE1-CG2 4.28Å
87F97.1Very high95.8Very high12 Ų1254 Ų545%0.05327%0.274CS..Hα-helixtrans-80-12.7-173.8-68.1-70.5000114L38 A83 K114 Y115 F120 T121L38-F87 HydrophobicContact CD2-CE2 4.35Å; L38-F87 HydrophobicContact CD2-CZ 3.87Å; A83-F87 HydrophobicContact CB-CD2 4.1Å; A83-F87 WeakPolarHBondContact O-CB 2.89Å; A83-F87 WeakPolarHBondContact O-CD2 3.47Å; A83-F87 PolarHBondContact O-N 3.26Å; F87-K114 HydrophobicContact CB-CB 4.42Å; F87-K114 WeakPolarHBondContact CD1-O 3.12Å; F87-Y115 HydrophobicContact CB-CD1 4.48Å; F87-Y115 HydrophobicContact CB-CE1 4.3Å; F87-Y115 AromaticContact CD1-CD1 3.91Å; F87-Y115 HydrophobicContact CD1-CD1 3.91Å; F87-Y115 HydrophobicContact CD1-CE1 4.46Å; F87-Y115 AromaticContact CD2-CD1 3.85Å; F87-Y115 HydrophobicContact CD2-CD1 3.85Å; F87-Y115 AromaticContact CD2-CE1 3.69Å; F87-Y115 HydrophobicContact CD2-CE1 3.69Å; F87-Y115 AromaticContact CE1-CD1 3.98Å; F87-Y115 HydrophobicContact CE1-CD1 3.98Å; F87-Y115 AromaticContact CE2-CD1 3.93Å; F87-Y115 HydrophobicContact CE2-CD1 3.93Å; F87-Y115 HydrophobicContact CE2-CE1 4.05Å; F87-Y115 AromaticContact CG-CD1 3.83Å; F87-Y115 HydrophobicContact CG-CD1 3.83Å; F87-Y115 AromaticContact CG-CE1 3.92Å; F87-Y115 HydrophobicContact CG-CE1 3.92Å; F87-Y115 AromaticContact CZ-CD1 3.99Å; F87-Y115 HydrophobicContact CZ-CD1 3.99Å; F87-F120 WeakPolarHBondContact O-CB 3.2Å; F87-F120 WeakPolarHBondContact O-CD2 3.4Å; F87-T121 HydrophobicContact CD1-CG2 4.15Å
88E96.4Very high95.8Very high21 Ų2148.2 Ų48.210%0.09825%0.248CC..THydrogen-bonded Turntrans-12018.2175.8-58.4179.4-145.800112.1K84 F86 C90 L91 R97 W110 K114K84-E88 HydrophobicContact CG-CB 4.29Å; K84-E88 HydrophobicContact CG-CG 4.48Å; K84-E88 WeakPolarHBondContact O-CA 3.38Å; K84-E88 WeakPolarHBondContact O-CB 3.4Å; K84-E88 PolarHBondContact O-N 3.45Å; F86-E88 VanDerWaalsContact C-N 3.35Å; F86-E88 PolarHBondContact O-N 3.1Å; E88-C90 VanDerWaalsContact C-N 3.32Å; E88-C90 PolarHBondContact O-N 3.02Å; E88-L91 HydrophobicContact CB-CB 4.3Å; E88-L91 WeakPolarHBondContact O-CB 3.45Å; E88-L91 PolarHBondContact O-N 2.85Å; E88-R97 IonicContact OE2-NE 3.39Å; E88-R97 PolarHBondContact OE2-NE 2.79Å; E88-R97 IonicContact OE2-NH2 2.73Å; E88-W110 HydrophobicContact CG-CH2 4.12Å; E88-W110 HydrophobicContact CG-CZ2 4.26Å; E88-K114 HydrophobicContact CG-CD 4.1Å; E88-K114 HydrophobicContact CG-CG 4.45Å; E88-K114 WeakPolarHBondContact OE1-CE 3.23Å; E88-K114 IonicContact OE1-NZ 3.71Å; E88-K114 PolarHBondContact OE1-NZ 3.17Å
89K95.4Very high95.8Very high151 Ų15148.6 Ų48.666%0.65725%0.254SS*.THydrogen-bonded Turntrans-53.9-45.5-175.2-176.7-179.9174.5-175.40113A85 F120A85-K89 WeakPolarHBondContact O-CB 3.42Å; K89-F120 PolarHBondContact N-O 3.26Å
90C93.4Very high95.8Very high49 Ų4952.1 Ų52.133%0.33127%0.27SS..THydrogen-bonded Turntrans-111.730.8-176.4-61.50000111.8E88 P92 F120E88-C90 VanDerWaalsContact C-N 3.32Å; E88-C90 PolarHBondContact O-N 3.02Å; C90-P92 WeakPolarHBondContact O-CD 3.44Å; C90-F120 PolarHBondContact N-O 2.9Å
91L93.2Very high95.5Very high32 Ų3259.6 Ų59.617%0.16830%0.304CS..  trans-66.3121.3-178.5-175.172.4000111.1E88 Y95 R97 W110 F120E88-L91 HydrophobicContact CB-CB 4.3Å; E88-L91 WeakPolarHBondContact O-CB 3.45Å; E88-L91 PolarHBondContact O-N 2.85Å; L91-Y95 HydrophobicContact CD1-CD1 4.18Å; L91-Y95 HydrophobicContact CD1-CG 3.94Å; L91-R97 HydrophobicContact CD2-CG 4.17Å; L91-R97 VanDerWaalsContact CD2-NE 3.27Å; L91-R97 VanDerWaalsContact CD2-NH2 3.27Å; L91-W110 HydrophobicContact CD1-CH2 3.77Å; L91-W110 HydrophobicContact CD1-CZ3 3.58Å; L91-W110 HydrophobicContact CD2-CH2 3.79Å; L91-W110 HydrophobicContact CD2-CZ3 4.35Å; L91-W110 HydrophobicContact CG-CH2 4.44Å; L91-F120 HydrophobicContact CB-CB 4.42Å; L91-F120 HydrophobicContact CB-CG 4.5Å; L91-F120 HydrophobicContact CD1-CD1 3.72Å; L91-F120 HydrophobicContact CD1-CD2 3.83Å; L91-F120 HydrophobicContact CD1-CE1 3.76Å; L91-F120 HydrophobicContact CD1-CE2 3.86Å; L91-F120 HydrophobicContact CD1-CG 3.75Å; L91-F120 HydrophobicContact CD1-CZ 3.83Å
92P92.9Very high95.4Very high16 Ų1657.2 Ų57.210%0.10429%0.285CS..  trans-68.2147.1178.4-8.618.5000112.6C90 F94 Y95 F127 L128C90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-F94 HydrophobicContact CB-CD1 3.86Å; P92-F94 HydrophobicContact CB-CD2 4.18Å; P92-F94 HydrophobicContact CB-CE1 3.48Å; P92-F94 VanDerWaalsContact CB-CE1 3.48Å; P92-F94 HydrophobicContact CB-CE2 3.82Å; P92-F94 HydrophobicContact CB-CG 4.2Å; P92-F94 HydrophobicContact CB-CZ 3.45Å; P92-F94 VanDerWaalsContact CB-CZ 3.45Å; P92-F94 HydrophobicContact CG-CE1 4.28Å; P92-F94 HydrophobicContact CG-CE2 4Å; P92-F94 HydrophobicContact CG-CZ 3.76Å; P92-F94 PolarHBondContact O-N 3.13Å; P92-Y95 WeakPolarHBondContact O-CB 3.32Å; P92-Y95 PolarHBondContact O-N 3.03Å; P92-F127 HydrophobicContact CG-CE1 3.67Å; P92-F127 HydrophobicContact CG-CZ 4.49Å; P92-L128 HydrophobicContact CB-CD2 4.5Å; P92-L128 HydrophobicContact CG-CD2 3.82Å
93A92.8Very high95.4Very high33 Ų3354.8 Ų54.827%0.27327%0.272SS..THydrogen-bonded Turntrans-57.8-31.917800000113.7Y95 L234 H246 I250A93-Y95 VanDerWaalsContact C-N 3.33Å; A93-L234 HydrophobicContact CB-CD2 4.15Å; A93-H246 HydrophobicContact CB-CB 4.24Å; A93-H246 WeakPolarHBondContact CB-ND1 3.41Å; A93-I250 HydrophobicContact CB-CD1 4.2Å
94F93.4Very high95.4Very high22 Ų2260.4 Ų60.410%0.09630%0.3CS..THydrogen-bonded Turntrans-79.6-11.3178.157.9-103.4000113.5P92 Y96 Y131 T227 R230 A231 L234 I253P92-F94 HydrophobicContact CB-CD1 3.86Å; P92-F94 HydrophobicContact CB-CD2 4.18Å; P92-F94 HydrophobicContact CB-CE1 3.48Å; P92-F94 VanDerWaalsContact CB-CE1 3.48Å; P92-F94 HydrophobicContact CB-CE2 3.82Å; P92-F94 HydrophobicContact CB-CG 4.2Å; P92-F94 HydrophobicContact CB-CZ 3.45Å; P92-F94 VanDerWaalsContact CB-CZ 3.45Å; P92-F94 HydrophobicContact CG-CE1 4.28Å; P92-F94 HydrophobicContact CG-CE2 4Å; P92-F94 HydrophobicContact CG-CZ 3.76Å; P92-F94 PolarHBondContact O-N 3.13Å; F94-Y96 PolarHBondContact O-N 3.08Å; F94-Y131 HydrophobicContact CE2-CG 4.21Å; F94-Y131 HydrophobicContact CZ-CG 4.37Å; F94-T227 HydrophobicContact CD2-CG2 3.9Å; F94-T227 HydrophobicContact CE2-CG2 3.8Å; F94-R230 HydrophobicContact CB-CB 4.4Å; F94-R230 WeakPolarHBondContact O-CB 3.26Å; F94-R230 VanDerWaalsContact O-CZ 3.27Å; F94-R230 PolarHBondContact O-NE 3.32Å; F94-R230 PolarHBondContact O-NH2 3.15Å; F94-A231 HydrophobicContact CB-CB 4.38Å; F94-A231 HydrophobicContact CD1-CB 3.96Å; F94-A231 HydrophobicContact CD2-CB 3.74Å; F94-A231 HydrophobicContact CE1-CB 4.13Å; F94-A231 HydrophobicContact CE2-CB 3.94Å; F94-A231 HydrophobicContact CG-CB 3.77Å; F94-A231 HydrophobicContact CZ-CB 4.12Å; F94-L234 HydrophobicContact CB-CB 4.33Å; F94-L234 HydrophobicContact CB-CD2 3.87Å; F94-L234 HydrophobicContact CD1-CD2 4.32Å; F94-I253 HydrophobicContact CB-CD1 4.43Å
95Y95.4Very high95.5Very high16 Ų1655.3 Ų55.36%0.06328%0.278CS..SBendtrans-69.8135.2-179.6-152.3-77.8000110.3L91 P92 A93 W110 F120 F127 T227L91-Y95 HydrophobicContact CD1-CD1 4.18Å; L91-Y95 HydrophobicContact CD1-CG 3.94Å; P92-Y95 WeakPolarHBondContact O-CB 3.32Å; P92-Y95 PolarHBondContact O-N 3.03Å; A93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-W110 AromaticContact CD1-CE3 3.95Å; Y95-W110 HydrophobicContact CD1-CE3 3.95Å; Y95-W110 AromaticContact CD1-CZ3 3.73Å; Y95-W110 HydrophobicContact CD1-CZ3 3.73Å; Y95-W110 AromaticContact CE1-CE3 3.6Å; Y95-W110 HydrophobicContact CE1-CE3 3.6Å; Y95-W110 AromaticContact CE1-CZ3 3.83Å; Y95-W110 HydrophobicContact CE1-CZ3 3.83Å; Y95-F120 HydrophobicContact CD1-CZ 4.29Å; Y95-F120 AromaticContact CD2-CE1 3.77Å; Y95-F120 HydrophobicContact CD2-CE1 3.77Å; Y95-F120 AromaticContact CD2-CZ 3.97Å; Y95-F120 HydrophobicContact CD2-CZ 3.97Å; Y95-F120 AromaticContact CE1-CZ 3.98Å; Y95-F120 HydrophobicContact CE1-CZ 3.98Å; Y95-F120 AromaticContact CE2-CE1 3.65Å; Y95-F120 HydrophobicContact CE2-CE1 3.65Å; Y95-F120 AromaticContact CE2-CZ 3.58Å; Y95-F120 HydrophobicContact CE2-CZ 3.58Å; Y95-F120 HydrophobicContact CG-CE1 4.32Å; Y95-F120 HydrophobicContact CG-CZ 4.3Å; Y95-F120 AromaticContact CZ-CZ 3.58Å; Y95-F127 HydrophobicContact CD2-CE1 4.32Å; Y95-F127 HydrophobicContact CD2-CE2 4.31Å; Y95-F127 AromaticContact CD2-CZ 3.54Å; Y95-F127 HydrophobicContact CD2-CZ 3.54Å; Y95-F127 AromaticContact CE2-CE2 3.74Å; Y95-F127 HydrophobicContact CE2-CE2 3.74Å; Y95-F127 AromaticContact CE2-CZ 3.44Å; Y95-F127 HydrophobicContact CE2-CZ 3.44Å; Y95-F127 VanDerWaalsContact CE2-CZ 3.44Å; Y95-T227 HydrophobicContact CD2-CG2 3.85Å; Y95-T227 HydrophobicContact CE2-CG2 4.09Å
96Y95.9Very high95.5Very high24 Ų2452.3 Ų52.39%0.09425%0.252CS..  trans-83.6125.1-179.6-176.5-98.6000110.6F94 P98 D102 L106 F226 H256F94-Y96 PolarHBondContact O-N 3.08Å; Y96-P98 HydrophobicContact CD1-CG 4.49Å; Y96-P98 HydrophobicContact CE1-CB 4.49Å; Y96-P98 WeakPolarHBondContact O-CD 3.49Å; Y96-D102 VanDerWaalsContact CE1-OD2 3.22Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.42Å; Y96-D102 VanDerWaalsContact OH-CG 3.29Å; Y96-D102 PolarHBondContact OH-OD1 2.92Å; Y96-D102 PolarHBondContact OH-OD2 3.43Å; Y96-L106 HydrophobicContact CD1-CD1 4.12Å; Y96-L106 HydrophobicContact CD1-CD2 4.1Å; Y96-L106 HydrophobicContact CE1-CD1 3.84Å; Y96-F226 HydrophobicContact CD1-CE1 4.39Å; Y96-F226 HydrophobicContact CD2-CE1 4.49Å; Y96-F226 AromaticContact CG-CE1 3.96Å; Y96-F226 HydrophobicContact CG-CE1 3.96Å; Y96-F226 HydrophobicContact CG-CZ 4.48Å; Y96-H256 AromaticContact CE2-CE1 3.71Å; Y96-H256 AromaticContact CE2-NE2 3.3Å; Y96-H256 VanDerWaalsContact CE2-NE2 3.3Å; Y96-H256 WeakPolarHBondContact CE2-NE2 3.24Å; Y96-H256 AromaticContact CZ-CE1 3.58Å; Y96-H256 AromaticContact CZ-NE2 3.65Å; Y96-H256 PolarHBondContact OH-CE1 3.09Å; Y96-H256 PolarHBondContact OH-NE2 2.97Å
97R96.1Very high95.6Very high122 Ų12249.2 Ų49.246%0.4624%0.238SC..  trans-91.5112.6172.9-70.8-169.6-178.6117.5-2110.1E88 L91 Q99 W110E88-R97 IonicContact OE2-NE 3.39Å; E88-R97 PolarHBondContact OE2-NE 2.79Å; E88-R97 IonicContact OE2-NH2 2.73Å; L91-R97 HydrophobicContact CD2-CG 4.17Å; L91-R97 VanDerWaalsContact CD2-NE 3.27Å; L91-R97 VanDerWaalsContact CD2-NH2 3.27Å; R97-Q99 PolarHBondContact O-NE2 3.07Å; R97-Q99 VanDerWaalsContact O-NE2 3.12Å; R97-W110 HydrophobicContact CG-CH2 4.01Å; R97-W110 HydrophobicContact CG-CZ2 4.14Å
98P96.8Very high95.7Very high5 Ų550.8 Ų50.83%0.03225%0.246CC..  trans-62.2146.8-179.5-21.133.9000113.1C26 Y96 D102 L106 K107 W110C26-P98 WeakPolarHBondContact CA-O 3.41Å; Y96-P98 HydrophobicContact CD1-CG 4.49Å; Y96-P98 HydrophobicContact CE1-CB 4.49Å; Y96-P98 WeakPolarHBondContact O-CD 3.49Å; P98-D102 WeakPolarHBondContact CA-OD2 3.48Å; P98-D102 HydrophobicContact CB-CB 4.34Å; P98-L106 HydrophobicContact CB-CB 4.38Å; P98-L106 HydrophobicContact CG-CB 4.17Å; P98-L106 WeakPolarHBondContact CG-O 3.25Å; P98-K107 HydrophobicContact CB-CG 3.75Å; P98-W110 HydrophobicContact CG-CB 3.59Å; P98-W110 HydrophobicContact CG-CG 3.87Å
99Q95.9Very high95.8Very high97 Ų9750.3 Ų50.345%0.45324%0.244SC..  trans-104.9170.6172.5-55.7-55.8-58.700110.3C26 R97 H101 D102C26-Q99 CarbonylContact O-C 3.51Å; C26-Q99 VanDerWaalsContact O-C 3.31Å; C26-Q99 WeakPolarHBondContact O-CA 3.37Å; R97-Q99 PolarHBondContact O-NE2 3.07Å; R97-Q99 VanDerWaalsContact O-NE2 3.12Å; Q99-H101 PolarHBondContact O-N 3.33Å; Q99-D102 PolarHBondContact N-OD2 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.18Å; Q99-D102 PolarHBondContact O-N 2.99Å; Q99-D102 VanDerWaalsContact O-N 3.12Å
100E95.8Very high95.9Very high76 Ų7643.4 Ų43.436%0.35521%0.214SC..THydrogen-bonded Turntrans-51.4-44.4-177.7-178.2-179.8172.200112.7C26 A28 K107C26-E100 PolarHBondContact O-N 3.32Å; A28-E100 HydrophobicContact CB-CB 4.01Å; A28-E100 HydrophobicContact CB-CG 3.79Å; E100-K107 PolarHBondContact O-NZ 2.82Å
101H93.1Very high96.1Very high168 Ų16841.2 Ų41.278%0.77820%0.199SC*.THydrogen-bonded Turntrans-89.60.2-172.9-51.9-9.3000113.6Q99Q99-H101 PolarHBondContact O-N 3.33Å
102D95.6Very high96.4Very high19 Ų1941.8 Ų41.810%0.10220%0.199CC..SBendtrans-67.3158.8173.5-80.6-47.3000111.6Y96 P98 Q99 L106 K107Y96-D102 VanDerWaalsContact CE1-OD2 3.22Å; Y96-D102 WeakPolarHBondContact CE1-OD2 3.42Å; Y96-D102 VanDerWaalsContact OH-CG 3.29Å; Y96-D102 PolarHBondContact OH-OD1 2.92Å; Y96-D102 PolarHBondContact OH-OD2 3.43Å; P98-D102 WeakPolarHBondContact CA-OD2 3.48Å; P98-D102 HydrophobicContact CB-CB 4.34Å; Q99-D102 PolarHBondContact N-OD2 3.32Å; Q99-D102 WeakPolarHBondContact O-CB 3.18Å; Q99-D102 PolarHBondContact O-N 2.99Å; Q99-D102 VanDerWaalsContact O-N 3.12Å; D102-L106 HydrophobicContact CB-CB 4.49Å; D102-L106 HydrophobicContact CB-CD1 4.22Å; D102-K107 WeakPolarHBondContact O-CE 3.5Å; D102-K107 PolarHBondContact O-NZ 2.97Å
103C96.1Very high96.6Very high19 Ų1941 Ų4113%0.12819%0.194CC..  trans-62.7156.3179.5630000112.4V105 L106 K107 F188 P190C103-V105 VanDerWaalsContact C-N 3.3Å; C103-V105 PolarHBondContact O-N 3.2Å; C103-V105 VanDerWaalsContact SG-CG1 3.52Å; C103-L106 PolarHBondContact O-N 3.31Å; C103-K107 PolarHBondContact O-N 3Å; C103-F188 VanDerWaalsContact SG-CB 3.54Å; C103-P190 HydrophobicContact CB-CG 3.78Å
104I97.5Very high96.8Very high119 Ų11939.6 Ų39.661%0.6118%0.181SC*.Hα-helixtrans-57.5-43-176.7-63.4172000111.2M49 L106 K107 E108M49-I104 HydrophobicContact SD-CG2 4.44Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 3.32Å; I104-K107 PolarHBondContact O-N 3.07Å; I104-E108 WeakPolarHBondContact O-CB 3.45Å; I104-E108 PolarHBondContact O-N 2.86Å
105V98.1Very high97Very high4 Ų438.8 Ų38.82%0.02418%0.178CC..Hα-helixtrans-60.6-37.4-177.564.70000113C103 Q109 F188 H197 I222 V223C103-V105 VanDerWaalsContact C-N 3.3Å; C103-V105 PolarHBondContact O-N 3.2Å; C103-V105 VanDerWaalsContact SG-CG1 3.52Å; V105-Q109 HydrophobicContact CG2-CG 4.3Å; V105-Q109 WeakPolarHBondContact O-CB 3.43Å; V105-Q109 VanDerWaalsContact O-CG 3.31Å; V105-Q109 WeakPolarHBondContact O-CG 3.41Å; V105-Q109 PolarHBondContact O-N 2.96Å; V105-F188 HydrophobicContact CG1-CD1 3.8Å; V105-F188 HydrophobicContact CG1-CE1 3.81Å; V105-F188 HydrophobicContact CG1-CG 4.48Å; V105-F188 HydrophobicContact CG1-CZ 4.48Å; V105-H197 VanDerWaalsContact CG2-CD2 3.48Å; V105-H197 WeakPolarHBondContact CG2-CD2 3.44Å; V105-I222 HydrophobicContact CG2-CG2 4.28Å; V105-V223 HydrophobicContact CG2-CG2 3.93Å
106L98.2Very high97Very high8 Ų841.8 Ų41.84%0.04219%0.192CC..Hα-helixtrans-66.5-47.5176.1-80.7174.6000111.1Y96 P98 D102 C103 I104 W110 F188 V223 F226Y96-L106 HydrophobicContact CD1-CD1 4.12Å; Y96-L106 HydrophobicContact CD1-CD2 4.1Å; Y96-L106 HydrophobicContact CE1-CD1 3.84Å; P98-L106 HydrophobicContact CB-CB 4.38Å; P98-L106 HydrophobicContact CG-CB 4.17Å; P98-L106 WeakPolarHBondContact CG-O 3.25Å; D102-L106 HydrophobicContact CB-CB 4.49Å; D102-L106 HydrophobicContact CB-CD1 4.22Å; C103-L106 PolarHBondContact O-N 3.31Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 3.32Å; L106-W110 VanDerWaalsContact O-CB 3.27Å; L106-W110 WeakPolarHBondContact O-CB 3.27Å; L106-W110 PolarHBondContact O-N 3.05Å; L106-F188 HydrophobicContact CD1-CB 4.45Å; L106-F188 HydrophobicContact CD1-CD2 3.75Å; L106-F188 HydrophobicContact CD1-CE2 4.41Å; L106-F188 HydrophobicContact CD1-CG 4.35Å; L106-F188 HydrophobicContact CD2-CD2 3.79Å; L106-F188 HydrophobicContact CD2-CE2 3.57Å; L106-F188 HydrophobicContact CD2-CZ 4.44Å; L106-F188 HydrophobicContact CG-CD2 3.71Å; L106-F188 HydrophobicContact CG-CE2 3.94Å; L106-F188 HydrophobicContact CG-CG 4.32Å; L106-V223 HydrophobicContact CD2-CG2 4.38Å; L106-F226 HydrophobicContact CD2-CD1 4.2Å; L106-F226 HydrophobicContact CD2-CE1 4.17Å
107K98.5Very high96.9Very high20 Ų2043.4 Ų43.49%0.08720%0.198CC..Hα-helixtrans-64.8-44.1179.1-69.8-178.1-71.6-157.80112.1C26 M49 P98 E100 D102 C103 I104 W110 I111C26-K107 HydrophobicContact CB-CD 3.93Å; C26-K107 HydrophobicContact CB-CG 4.36Å; M49-K107 HydrophobicContact CE-CB 3.6Å; M49-K107 HydrophobicContact CE-CD 4.29Å; M49-K107 HydrophobicContact SD-CB 3.79Å; P98-K107 HydrophobicContact CB-CG 3.75Å; E100-K107 PolarHBondContact O-NZ 2.82Å; D102-K107 WeakPolarHBondContact O-CE 3.5Å; D102-K107 PolarHBondContact O-NZ 2.97Å; C103-K107 PolarHBondContact O-N 3Å; I104-K107 PolarHBondContact O-N 3.07Å; K107-W110 PolarHBondContact O-N 2.95Å; K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.85Å
108E98.2Very high96.9Very high45 Ų4541.5 Ų41.521%0.2119%0.191CC..Hα-helixtrans-63.8-48.8179.7-172.7-171172.200111.1M49 I104 W110 I111 R112M49-E108 HydrophobicContact SD-CB 3.9Å; M49-E108 PolarHBondContact SD-N 3.22Å; I104-E108 WeakPolarHBondContact O-CB 3.45Å; I104-E108 PolarHBondContact O-N 2.86Å; E108-W110 VanDerWaalsContact C-N 3.28Å; E108-W110 PolarHBondContact O-N 2.88Å; E108-I111 PolarHBondContact O-N 3.37Å; E108-R112 WeakPolarHBondContact O-CG 3.47Å; E108-R112 PolarHBondContact O-N 3.44Å; E108-R112 IonicContact OE1-CZ 3.41Å; E108-R112 IonicContact OE1-NE 2.83Å; E108-R112 PolarHBondContact OE1-NE 2.92Å; E108-R112 IonicContact OE1-NH2 3.43Å; E108-R112 PolarHBondContact OE1-NH2 2.71Å; E108-R112 VanDerWaalsContact OE1-NH2 3.1Å
109Q98.4Very high96.7Very high12 Ų1242.4 Ų42.46%0.05620%0.195CC..Hα-helixtrans-69.3-27.5-178.3-67.8-54.6-38.700112.9V105 A113 R117 V223V105-Q109 HydrophobicContact CG2-CG 4.3Å; V105-Q109 WeakPolarHBondContact O-CB 3.43Å; V105-Q109 VanDerWaalsContact O-CG 3.31Å; V105-Q109 WeakPolarHBondContact O-CG 3.41Å; V105-Q109 PolarHBondContact O-N 2.96Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.34Å; Q109-R117 PolarHBondContact O-NH2 3.04Å; Q109-V223 HydrophobicContact CB-CB 4.09Å; Q109-V223 HydrophobicContact CB-CG1 3.97Å; Q109-V223 HydrophobicContact CB-CG2 3.94Å; Q109-V223 HydrophobicContact CG-CB 4.16Å; Q109-V223 HydrophobicContact CG-CG2 3.83Å
110W98.5Very high96.7Very high6 Ų637.8 Ų37.82%0.02317%0.173CC..Hα-helixtrans-64.9-48.9169.8172.4-116.3000112.5D25 E88 L91 Y95 R97 P98 L106 K107 E108 R112 A113 K114 F120D25-W110 PolarHBondContact O-NE1 2.75Å; E88-W110 HydrophobicContact CG-CH2 4.12Å; E88-W110 HydrophobicContact CG-CZ2 4.26Å; L91-W110 HydrophobicContact CD1-CH2 3.77Å; L91-W110 HydrophobicContact CD1-CZ3 3.58Å; L91-W110 HydrophobicContact CD2-CH2 3.79Å; L91-W110 HydrophobicContact CD2-CZ3 4.35Å; L91-W110 HydrophobicContact CG-CH2 4.44Å; Y95-W110 AromaticContact CD1-CE3 3.95Å; Y95-W110 HydrophobicContact CD1-CE3 3.95Å; Y95-W110 AromaticContact CD1-CZ3 3.73Å; Y95-W110 HydrophobicContact CD1-CZ3 3.73Å; Y95-W110 AromaticContact CE1-CE3 3.6Å; Y95-W110 HydrophobicContact CE1-CE3 3.6Å; Y95-W110 AromaticContact CE1-CZ3 3.83Å; Y95-W110 HydrophobicContact CE1-CZ3 3.83Å; R97-W110 HydrophobicContact CG-CH2 4.01Å; R97-W110 HydrophobicContact CG-CZ2 4.14Å; P98-W110 HydrophobicContact CG-CB 3.59Å; P98-W110 HydrophobicContact CG-CG 3.87Å; L106-W110 VanDerWaalsContact O-CB 3.27Å; L106-W110 WeakPolarHBondContact O-CB 3.27Å; L106-W110 PolarHBondContact O-N 3.05Å; K107-W110 PolarHBondContact O-N 2.95Å; E108-W110 VanDerWaalsContact C-N 3.28Å; E108-W110 PolarHBondContact O-N 2.88Å; W110-R112 VanDerWaalsContact C-N 3.33Å; W110-R112 PolarHBondContact O-N 3.24Å; W110-A113 PolarHBondContact O-N 3.48Å; W110-K114 HydrophobicContact CD2-CD 3.92Å; W110-K114 HydrophobicContact CD2-CG 4.29Å; W110-K114 HydrophobicContact CE3-CD 4.42Å; W110-K114 HydrophobicContact CE3-CG 4.39Å; W110-K114 HydrophobicContact CG-CD 4.49Å; W110-K114 HydrophobicContact CH2-CD 4Å; W110-K114 HydrophobicContact CH2-CG 4.32Å; W110-K114 HydrophobicContact CZ2-CD 3.45Å; W110-K114 VanDerWaalsContact CZ2-CD 3.45Å; W110-K114 HydrophobicContact CZ2-CG 4.24Å; W110-K114 HydrophobicContact CZ3-CD 4.45Å; W110-K114 HydrophobicContact CZ3-CG 4.4Å; W110-K114 PolarHBondContact O-N 2.77Å; W110-F120 HydrophobicContact CE3-CE2 4.07Å; W110-F120 HydrophobicContact CE3-CZ 4.43Å; W110-F120 HydrophobicContact CH2-CE2 4.36Å; W110-F120 HydrophobicContact CZ3-CD2 4.37Å; W110-F120 AromaticContact CZ3-CE2 3.61Å; W110-F120 HydrophobicContact CZ3-CE2 3.61Å; W110-F120 HydrophobicContact CZ3-CZ 4.03Å
111I98.6Very high96.6Very high2 Ų234.6 Ų34.61%0.0116%0.159CC..Hα-helixtrans-60.2-45.8176.9-68.2168.6000110D25 C46 M49 L53 K107 E108 K114 Y115D25-I111 HydrophobicContact CB-CD1 4.17Å; D25-I111 HydrophobicContact CB-CG1 3.8Å; C46-I111 HydrophobicContact CB-CD1 4.2Å; M49-I111 HydrophobicContact CB-CD1 3.72Å; M49-I111 HydrophobicContact CE-CD1 3.88Å; M49-I111 HydrophobicContact CG-CD1 4.5Å; M49-I111 HydrophobicContact SD-CD1 4.12Å; L53-I111 HydrophobicContact CD1-CG2 3.57Å; K107-I111 VanDerWaalsContact O-CG1 3.29Å; K107-I111 WeakPolarHBondContact O-CG1 3.41Å; K107-I111 PolarHBondContact O-N 2.85Å; E108-I111 PolarHBondContact O-N 3.37Å; I111-K114 PolarHBondContact O-N 3.28Å; I111-Y115 HydrophobicContact CB-CD2 4.43Å; I111-Y115 HydrophobicContact CG2-CD2 3.72Å; I111-Y115 HydrophobicContact CG2-CE2 4.06Å; I111-Y115 WeakPolarHBondContact O-CD2 3.24Å; I111-Y115 PolarHBondContact O-N 2.97Å
112R97.9Very high96.4Very high45 Ų4528.1 Ų28.117%0.1714%0.137CC..Iπ-helixtrans-63.5-42.9176.4-70-179.9177.8-78-2.1112.3L53 E108 W110 K114 E116 R117L53-R112 HydrophobicContact CD1-CG 4.35Å; L53-R112 HydrophobicContact CD2-CG 3.89Å; E108-R112 WeakPolarHBondContact O-CG 3.47Å; E108-R112 PolarHBondContact O-N 3.44Å; E108-R112 IonicContact OE1-CZ 3.41Å; E108-R112 IonicContact OE1-NE 2.83Å; E108-R112 PolarHBondContact OE1-NE 2.92Å; E108-R112 IonicContact OE1-NH2 3.43Å; E108-R112 PolarHBondContact OE1-NH2 2.71Å; E108-R112 VanDerWaalsContact OE1-NH2 3.1Å; W110-R112 VanDerWaalsContact C-N 3.33Å; W110-R112 PolarHBondContact O-N 3.24Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.8Å; R112-E116 HydrophobicContact CB-CB 4.45Å; R112-E116 WeakPolarHBondContact CB-OE2 3.17Å; R112-E116 WeakPolarHBondContact CD-OE2 3.44Å; R112-E116 WeakPolarHBondContact CG-OE2 3.2Å; R112-E116 IonicContact CZ-OE2 3.52Å; R112-E116 VanDerWaalsContact NH1-CD 3.33Å; R112-E116 IonicContact NH1-OE1 2.71Å; R112-E116 PolarHBondContact NH1-OE1 2.77Å; R112-E116 IonicContact NH1-OE2 2.62Å; R112-E116 PolarHBondContact NH1-OE2 2.96Å; R112-E116 WeakPolarHBondContact O-CA 3.22Å; R112-E116 WeakPolarHBondContact O-CB 3.42Å; R112-E116 PolarHBondContact O-N 2.99Å; R112-R117 PolarHBondContact O-N 3.36Å
113A96.7Very high95.9Very high0 Ų032.7 Ų32.70%016%0.158CC..Iπ-helixtrans-58.8-45.617700000111.8Q109 W110 R118 E119 F120Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.34Å; W110-A113 PolarHBondContact O-N 3.48Å; A113-R118 WeakPolarHBondContact O-CA 3.48Å; A113-R118 PolarHBondContact O-N 2.94Å; A113-E119 HydrophobicContact CB-CG 4.39Å; A113-E119 VanDerWaalsContact CB-OE2 3.26Å; A113-E119 WeakPolarHBondContact CB-OE2 3.46Å; A113-E119 PolarHBondContact O-N 3.47Å; A113-F120 HydrophobicContact CB-CE2 3.7Å; A113-F120 HydrophobicContact CB-CZ 3.61Å
114K97.1Very high94.9Very high2 Ų234.9 Ų34.91%0.00917%0.169CC..Iπ-helixtrans-67.4-53.5-179.8-77.7179.955.7174.40112.7A24 D25 F87 E88 W110 I111 R112 R118 F120A24-K114 PolarHBondContact O-NZ 3.15Å; A24-K114 VanDerWaalsContact O-NZ 3.07Å; D25-K114 IonicContact OD1-NZ 2.83Å; D25-K114 PolarHBondContact OD1-NZ 3.4Å; F87-K114 HydrophobicContact CB-CB 4.42Å; F87-K114 WeakPolarHBondContact CD1-O 3.12Å; E88-K114 HydrophobicContact CG-CD 4.1Å; E88-K114 HydrophobicContact CG-CG 4.45Å; E88-K114 WeakPolarHBondContact OE1-CE 3.23Å; E88-K114 IonicContact OE1-NZ 3.71Å; E88-K114 PolarHBondContact OE1-NZ 3.17Å; W110-K114 HydrophobicContact CD2-CD 3.92Å; W110-K114 HydrophobicContact CD2-CG 4.29Å; W110-K114 HydrophobicContact CE3-CD 4.42Å; W110-K114 HydrophobicContact CE3-CG 4.39Å; W110-K114 HydrophobicContact CG-CD 4.49Å; W110-K114 HydrophobicContact CH2-CD 4Å; W110-K114 HydrophobicContact CH2-CG 4.32Å; W110-K114 HydrophobicContact CZ2-CD 3.45Å; W110-K114 VanDerWaalsContact CZ2-CD 3.45Å; W110-K114 HydrophobicContact CZ2-CG 4.24Å; W110-K114 HydrophobicContact CZ3-CD 4.45Å; W110-K114 HydrophobicContact CZ3-CG 4.4Å; W110-K114 PolarHBondContact O-N 2.77Å; I111-K114 PolarHBondContact O-N 3.28Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.8Å; K114-R118 WeakPolarHBondContact O-CA 3.4Å; K114-F120 HydrophobicContact CG-CD2 4Å; K114-F120 HydrophobicContact CG-CE2 3.91Å
115Y97.7Very high93.7Very high6 Ų633.5 Ų33.52%0.02416%0.163CC..Iπ-helixtrans-104.7-37.8-162.9-50.1-58.8000113.7D25 L38 H50 V56 F87 I111D25-Y115 VanDerWaalsContact OD1-CE2 3.24Å; D25-Y115 WeakPolarHBondContact OD1-CE2 3.39Å; D25-Y115 PolarHBondContact OD1-OH 2.83Å; L38-Y115 HydrophobicContact CD1-CD1 3.81Å; L38-Y115 HydrophobicContact CD1-CD2 3.96Å; L38-Y115 HydrophobicContact CD1-CE1 4.25Å; L38-Y115 HydrophobicContact CD1-CE2 4.39Å; L38-Y115 HydrophobicContact CD1-CG 3.65Å; L38-Y115 HydrophobicContact CD2-CD1 4.15Å; L38-Y115 HydrophobicContact CD2-CG 4.42Å; H50-Y115 AromaticContact CE1-CD2 3.59Å; H50-Y115 AromaticContact CE1-CE2 3.41Å; H50-Y115 VanDerWaalsContact CE1-CE2 3.41Å; H50-Y115 WeakPolarHBondContact CE1-CE2 3.23Å; H50-Y115 AromaticContact NE2-CE2 3.57Å; V56-Y115 WeakPolarHBondContact CG1-O 3.1Å; F87-Y115 HydrophobicContact CB-CD1 4.48Å; F87-Y115 HydrophobicContact CB-CE1 4.3Å; F87-Y115 AromaticContact CD1-CD1 3.91Å; F87-Y115 HydrophobicContact CD1-CD1 3.91Å; F87-Y115 HydrophobicContact CD1-CE1 4.46Å; F87-Y115 AromaticContact CD2-CD1 3.85Å; F87-Y115 HydrophobicContact CD2-CD1 3.85Å; F87-Y115 AromaticContact CD2-CE1 3.69Å; F87-Y115 HydrophobicContact CD2-CE1 3.69Å; F87-Y115 AromaticContact CE1-CD1 3.98Å; F87-Y115 HydrophobicContact CE1-CD1 3.98Å; F87-Y115 AromaticContact CE2-CD1 3.93Å; F87-Y115 HydrophobicContact CE2-CD1 3.93Å; F87-Y115 HydrophobicContact CE2-CE1 4.05Å; F87-Y115 AromaticContact CG-CD1 3.83Å; F87-Y115 HydrophobicContact CG-CD1 3.83Å; F87-Y115 AromaticContact CG-CE1 3.92Å; F87-Y115 HydrophobicContact CG-CE1 3.92Å; F87-Y115 AromaticContact CZ-CD1 3.99Å; F87-Y115 HydrophobicContact CZ-CD1 3.99Å; I111-Y115 HydrophobicContact CB-CD2 4.43Å; I111-Y115 HydrophobicContact CG2-CD2 3.72Å; I111-Y115 HydrophobicContact CG2-CE2 4.06Å; I111-Y115 WeakPolarHBondContact O-CD2 3.24Å; I111-Y115 PolarHBondContact O-N 2.97Å
116E96Very high92.6Very high78 Ų7839.2 Ų39.236%0.36419%0.189SC..Iπ-helixtrans-84-51.9-178.4176.4179.8-120.300111L53 R112L53-E116 HydrophobicContact CD2-CB 4.39Å; R112-E116 HydrophobicContact CB-CB 4.45Å; R112-E116 WeakPolarHBondContact CB-OE2 3.17Å; R112-E116 WeakPolarHBondContact CD-OE2 3.44Å; R112-E116 WeakPolarHBondContact CG-OE2 3.2Å; R112-E116 IonicContact CZ-OE2 3.52Å; R112-E116 VanDerWaalsContact NH1-CD 3.33Å; R112-E116 IonicContact NH1-OE1 2.71Å; R112-E116 PolarHBondContact NH1-OE1 2.77Å; R112-E116 IonicContact NH1-OE2 2.62Å; R112-E116 PolarHBondContact NH1-OE2 2.96Å; R112-E116 WeakPolarHBondContact O-CA 3.22Å; R112-E116 WeakPolarHBondContact O-CB 3.42Å; R112-E116 PolarHBondContact O-N 2.99Å
117R94.8Very high91.7Very high59 Ų5939.6 Ų39.622%0.22319%0.19CC..SBendtrans-92.2-15.2-176.9-57.8-170.8-57-95.7-1113.4Q109 R112 E119Q109-R117 PolarHBondContact O-NH2 3.04Å; R112-R117 PolarHBondContact O-N 3.36Å; R117-E119 HydrophobicContact CB-CG 3.87Å; R117-E119 IonicContact CZ-OE1 3.09Å; R117-E119 VanDerWaalsContact CZ-OE1 3.28Å; R117-E119 IonicContact NE-OE1 2.98Å; R117-E119 PolarHBondContact NE-OE1 3.27Å; R117-E119 IonicContact NH2-OE1 2.91Å; R117-E119 PolarHBondContact NH2-OE1 2.82Å; R117-E119 IonicContact NH2-OE2 3.97Å; R117-E119 PolarHBondContact O-N 3.49Å
118R95Very high90.4Very high82 Ų8241 Ų4131%0.30920%0.198SC..  trans51.439.1176.2-57.1-177.773.1-155.3-5.7112.7A113 K114 F120 T121 E123A113-R118 WeakPolarHBondContact O-CA 3.48Å; A113-R118 PolarHBondContact O-N 2.94Å; K114-R118 WeakPolarHBondContact O-CA 3.4Å; R118-F120 PolarHBondContact O-N 3.19Å; R118-T121 HydrophobicContact CB-CG2 3.83Å; R118-T121 HydrophobicContact CG-CG2 4.47Å; R118-T121 PolarHBondContact O-N 2.78Å; R118-T121 PolarHBondContact O-OG1 3.33Å; R118-E123 VanDerWaalsContact CZ-CD 3.5Å; R118-E123 IonicContact CZ-OE1 2.67Å; R118-E123 IonicContact CZ-OE2 2.77Å; R118-E123 IonicContact NE-OE2 2.82Å; R118-E123 PolarHBondContact NE-OE2 3.42Å; R118-E123 IonicContact NH1-OE1 3.33Å; R118-E123 PolarHBondContact NH1-OE1 3.45Å; R118-E123 IonicContact NH1-OE2 2.65Å; R118-E123 PolarHBondContact NH1-OE2 2.94Å; R118-E123 IonicContact NH2-OE1 2.89Å; R118-E123 PolarHBondContact NH2-OE1 3.49Å; R118-E123 IonicContact NH2-OE2 2.77Å; R118-E123 PolarHBondContact NH2-OE2 2.84Å
119E94.1Very high89.3Confident24 Ų2444.1 Ų44.111%0.11221%0.213CC..THydrogen-bonded Turntrans-61-21.1-170.9-70.6177.5-178.300113.7A113 R117 F127A113-E119 HydrophobicContact CB-CG 4.39Å; A113-E119 VanDerWaalsContact CB-OE2 3.26Å; A113-E119 WeakPolarHBondContact CB-OE2 3.46Å; A113-E119 PolarHBondContact O-N 3.47Å; R117-E119 HydrophobicContact CB-CG 3.87Å; R117-E119 IonicContact CZ-OE1 3.09Å; R117-E119 VanDerWaalsContact CZ-OE1 3.28Å; R117-E119 IonicContact NE-OE1 2.98Å; R117-E119 PolarHBondContact NE-OE1 3.27Å; R117-E119 IonicContact NH2-OE1 2.91Å; R117-E119 PolarHBondContact NH2-OE1 2.82Å; R117-E119 IonicContact NH2-OE2 3.97Å; R117-E119 PolarHBondContact O-N 3.49Å; E119-F127 HydrophobicContact CB-CB 4.23Å; E119-F127 HydrophobicContact CB-CD2 3.82Å; E119-F127 HydrophobicContact CB-CE2 4.41Å; E119-F127 HydrophobicContact CB-CG 3.9Å; E119-F127 VanDerWaalsContact CD-CD2 3.4Å; E119-F127 HydrophobicContact CG-CB 4.38Å; E119-F127 HydrophobicContact CG-CD2 3.74Å; E119-F127 HydrophobicContact CG-CE2 4.44Å; E119-F127 HydrophobicContact CG-CG 4.19Å; E119-F127 VanDerWaalsContact OE2-CD2 3.28Å; E119-F127 WeakPolarHBondContact OE2-CD2 3.36Å; E119-F127 WeakPolarHBondContact OE2-CE2 3.5Å
120F94.4Very high88.4Confident0 Ų046.4 Ų46.40%023%0.228CC..THydrogen-bonded Turntrans-119.612.2-172.4-28.7-64000113.8F87 K89 C90 L91 Y95 W110 A113 K114 R118 G122 F127F87-F120 WeakPolarHBondContact O-CB 3.2Å; F87-F120 WeakPolarHBondContact O-CD2 3.4Å; K89-F120 PolarHBondContact N-O 3.26Å; C90-F120 PolarHBondContact N-O 2.9Å; L91-F120 HydrophobicContact CB-CB 4.42Å; L91-F120 HydrophobicContact CB-CG 4.5Å; L91-F120 HydrophobicContact CD1-CD1 3.72Å; L91-F120 HydrophobicContact CD1-CD2 3.83Å; L91-F120 HydrophobicContact CD1-CE1 3.76Å; L91-F120 HydrophobicContact CD1-CE2 3.86Å; L91-F120 HydrophobicContact CD1-CG 3.75Å; L91-F120 HydrophobicContact CD1-CZ 3.83Å; Y95-F120 HydrophobicContact CD1-CZ 4.29Å; Y95-F120 AromaticContact CD2-CE1 3.77Å; Y95-F120 HydrophobicContact CD2-CE1 3.77Å; Y95-F120 AromaticContact CD2-CZ 3.97Å; Y95-F120 HydrophobicContact CD2-CZ 3.97Å; Y95-F120 AromaticContact CE1-CZ 3.98Å; Y95-F120 HydrophobicContact CE1-CZ 3.98Å; Y95-F120 AromaticContact CE2-CE1 3.65Å; Y95-F120 HydrophobicContact CE2-CE1 3.65Å; Y95-F120 AromaticContact CE2-CZ 3.58Å; Y95-F120 HydrophobicContact CE2-CZ 3.58Å; Y95-F120 HydrophobicContact CG-CE1 4.32Å; Y95-F120 HydrophobicContact CG-CZ 4.3Å; Y95-F120 AromaticContact CZ-CZ 3.58Å; W110-F120 HydrophobicContact CE3-CE2 4.07Å; W110-F120 HydrophobicContact CE3-CZ 4.43Å; W110-F120 HydrophobicContact CH2-CE2 4.36Å; W110-F120 HydrophobicContact CZ3-CD2 4.37Å; W110-F120 AromaticContact CZ3-CE2 3.61Å; W110-F120 HydrophobicContact CZ3-CE2 3.61Å; W110-F120 HydrophobicContact CZ3-CZ 4.03Å; A113-F120 HydrophobicContact CB-CE2 3.7Å; A113-F120 HydrophobicContact CB-CZ 3.61Å; K114-F120 HydrophobicContact CG-CD2 4Å; K114-F120 HydrophobicContact CG-CE2 3.91Å; R118-F120 PolarHBondContact O-N 3.19Å; F120-G122 VanDerWaalsContact C-N 3.28Å; F120-F127 HydrophobicContact CD1-CE1 4.36Å; F120-F127 HydrophobicContact CE1-CD1 4.43Å; F120-F127 HydrophobicContact CE1-CE1 4Å; F120-F127 HydrophobicContact CE1-CE2 4.27Å; F120-F127 AromaticContact CE1-CZ 3.95Å; F120-F127 HydrophobicContact CE1-CZ 3.95Å
121T94.1Very high87.5Confident8 Ų846.7 Ų46.75%0.04923%0.229CC..SBendtrans-76.7-18.9176.960.70000112.7F86 F87 R118 E123F86-T121 HydrophobicContact CE1-CG2 4.28Å; F87-T121 HydrophobicContact CD1-CG2 4.15Å; R118-T121 HydrophobicContact CB-CG2 3.83Å; R118-T121 HydrophobicContact CG-CG2 4.47Å; R118-T121 PolarHBondContact O-N 2.78Å; R118-T121 PolarHBondContact O-OG1 3.33Å; T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 WeakPolarHBondContact CB-OE2 3.26Å; T121-E123 WeakPolarHBondContact OG1-CB 3.28Å; T121-E123 WeakPolarHBondContact OG1-CG 3.16Å; T121-E123 PolarHBondContact OG1-N 2.84Å; T121-E123 PolarHBondContact OG1-OE2 3.26Å
122G88.3Confident86.3Confident32 Ų3251.6 Ų51.633%0.3326%0.255SS..SBendtrans81.93.3-171.500000114F120F120-G122 VanDerWaalsContact C-N 3.28Å
123E86.9Confident85.1Confident115 Ų11555.5 Ų55.554%0.53727%0.274SS..SBendtrans-77.5-29.2174.2-64161.5149.100111.8R118 T121R118-E123 VanDerWaalsContact CZ-CD 3.5Å; R118-E123 IonicContact CZ-OE1 2.67Å; R118-E123 IonicContact CZ-OE2 2.77Å; R118-E123 IonicContact NE-OE2 2.82Å; R118-E123 PolarHBondContact NE-OE2 3.42Å; R118-E123 IonicContact NH1-OE1 3.33Å; R118-E123 PolarHBondContact NH1-OE1 3.45Å; R118-E123 IonicContact NH1-OE2 2.65Å; R118-E123 PolarHBondContact NH1-OE2 2.94Å; R118-E123 IonicContact NH2-OE1 2.89Å; R118-E123 PolarHBondContact NH2-OE1 3.49Å; R118-E123 IonicContact NH2-OE2 2.77Å; R118-E123 PolarHBondContact NH2-OE2 2.84Å; T121-E123 VanDerWaalsContact C-N 3.28Å; T121-E123 WeakPolarHBondContact CB-OE2 3.26Å; T121-E123 WeakPolarHBondContact OG1-CB 3.28Å; T121-E123 WeakPolarHBondContact OG1-CG 3.16Å; T121-E123 PolarHBondContact OG1-N 2.84Å; T121-E123 PolarHBondContact OG1-OE2 3.26Å
124N73.9Confident84.5Confident66 Ų6660.3 Ų60.335%0.35330%0.3SS..  trans-125.1120.3176.2-170-6.3000110.6E126N124-E126 PolarHBondContact ND2-OE2 3.25Å; N124-E126 WeakPolarHBondContact OD1-CB 3.33Å; N124-E126 WeakPolarHBondContact OD1-CG 3.29Å; N124-E126 PolarHBondContact OD1-N 3.27Å; N124-E126 PolarHBondContact OD1-OE2 2.73Å
125N72.3Confident84.3Confident90 Ų9064.9 Ų64.948%0.48132%0.323SS..  trans-94-3.9178.1-72.8-36.3000113.6F127 L128 Q129N125-F127 PolarHBondContact O-N 2.59Å; N125-L128 PolarHBondContact O-N 2.69Å; N125-L128 VanDerWaalsContact O-N 3.11Å; N125-Q129 WeakPolarHBondContact O-CG 3.19Å; N125-Q129 PolarHBondContact O-N 2.99Å
126E75.3Confident84.1Confident123 Ų12366 Ų6658%0.57533%0.329SS*.Hα-helixtrans-56.6-35.8178.5-71.3170.7167.100112N124 Q129 T130N124-E126 PolarHBondContact ND2-OE2 3.25Å; N124-E126 WeakPolarHBondContact OD1-CB 3.33Å; N124-E126 WeakPolarHBondContact OD1-CG 3.29Å; N124-E126 PolarHBondContact OD1-N 3.27Å; N124-E126 PolarHBondContact OD1-OE2 2.73Å; E126-Q129 PolarHBondContact O-N 2.9Å; E126-T130 PolarHBondContact O-N 3.21Å; E126-T130 PolarHBondContact O-OG1 2.79Å
127F78.5Confident84.1Confident17 Ų1768.4 Ų68.48%0.07534%0.34CS..Hα-helixtrans-57.6-52.4175.4174.1-90.5000111.2P92 Y95 E119 F120 N125 Q129 T130 Y131P92-F127 HydrophobicContact CG-CE1 3.67Å; P92-F127 HydrophobicContact CG-CZ 4.49Å; Y95-F127 HydrophobicContact CD2-CE1 4.32Å; Y95-F127 HydrophobicContact CD2-CE2 4.31Å; Y95-F127 AromaticContact CD2-CZ 3.54Å; Y95-F127 HydrophobicContact CD2-CZ 3.54Å; Y95-F127 AromaticContact CE2-CE2 3.74Å; Y95-F127 HydrophobicContact CE2-CE2 3.74Å; Y95-F127 AromaticContact CE2-CZ 3.44Å; Y95-F127 HydrophobicContact CE2-CZ 3.44Å; Y95-F127 VanDerWaalsContact CE2-CZ 3.44Å; E119-F127 HydrophobicContact CB-CB 4.23Å; E119-F127 HydrophobicContact CB-CD2 3.82Å; E119-F127 HydrophobicContact CB-CE2 4.41Å; E119-F127 HydrophobicContact CB-CG 3.9Å; E119-F127 VanDerWaalsContact CD-CD2 3.4Å; E119-F127 HydrophobicContact CG-CB 4.38Å; E119-F127 HydrophobicContact CG-CD2 3.74Å; E119-F127 HydrophobicContact CG-CE2 4.44Å; E119-F127 HydrophobicContact CG-CG 4.19Å; E119-F127 VanDerWaalsContact OE2-CD2 3.28Å; E119-F127 WeakPolarHBondContact OE2-CD2 3.36Å; E119-F127 WeakPolarHBondContact OE2-CE2 3.5Å; F120-F127 HydrophobicContact CD1-CE1 4.36Å; F120-F127 HydrophobicContact CE1-CD1 4.43Å; F120-F127 HydrophobicContact CE1-CE1 4Å; F120-F127 HydrophobicContact CE1-CE2 4.27Å; F120-F127 AromaticContact CE1-CZ 3.95Å; F120-F127 HydrophobicContact CE1-CZ 3.95Å; N125-F127 PolarHBondContact O-N 2.59Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.94Å; F127-T130 WeakPolarHBondContact O-CB 3.27Å; F127-T130 PolarHBondContact O-N 3Å; F127-Y131 HydrophobicContact CD2-CD2 4.42Å; F127-Y131 AromaticContact CD2-CE2 3.75Å; F127-Y131 HydrophobicContact CD2-CE2 3.75Å; F127-Y131 HydrophobicContact CE1-CD2 4.04Å; F127-Y131 HydrophobicContact CE1-CE2 4.13Å; F127-Y131 AromaticContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CD2 3.99Å; F127-Y131 AromaticContact CE2-CE2 3.23Å; F127-Y131 HydrophobicContact CE2-CE2 3.23Å; F127-Y131 HydrophobicContact CG-CE2 4.39Å; F127-Y131 AromaticContact CZ-CD2 3.71Å; F127-Y131 HydrophobicContact CZ-CD2 3.71Å; F127-Y131 AromaticContact CZ-CE2 3.39Å; F127-Y131 HydrophobicContact CZ-CE2 3.39Å; F127-Y131 WeakPolarHBondContact O-CD2 3.46Å
128L72.6Confident84.2Confident49 Ų4966.1 Ų66.126%0.25733%0.333SS..Hα-helixtrans-64.5-38.2179.6-72.6172.9000111.7P92 N125 T130 Y131 N132P92-L128 HydrophobicContact CB-CD2 4.5Å; P92-L128 HydrophobicContact CG-CD2 3.82Å; N125-L128 PolarHBondContact O-N 2.69Å; N125-L128 VanDerWaalsContact O-N 3.11Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.48Å; L128-Y131 PolarHBondContact O-N 3.43Å; L128-N132 VanDerWaalsContact O-CB 3.3Å; L128-N132 WeakPolarHBondContact O-CB 3.49Å; L128-N132 PolarHBondContact O-N 3.33Å; L128-N132 PolarHBondContact O-ND2 2.86Å; L128-N132 VanDerWaalsContact O-ND2 3.15Å
129Q74.3Confident84.3Confident111 Ų11164.7 Ų64.752%0.51933%0.333SS..Hα-helixtrans-58.5-44.6176.6-69174.14.800111.1N125 E126 F127 Y131 N132 F133N125-Q129 WeakPolarHBondContact O-CG 3.19Å; N125-Q129 PolarHBondContact O-N 2.99Å; E126-Q129 PolarHBondContact O-N 2.9Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 2.94Å; Q129-Y131 VanDerWaalsContact C-N 3.25Å; Q129-Y131 PolarHBondContact O-N 3.02Å; Q129-Y131 VanDerWaalsContact O-N 3.17Å; Q129-N132 PolarHBondContact O-N 2.67Å; Q129-N132 VanDerWaalsContact O-N 3.1Å; Q129-F133 HydrophobicContact CB-CE2 4.23Å; Q129-F133 WeakPolarHBondContact O-CD2 3.02Å; Q129-F133 VanDerWaalsContact O-CE2 3.27Å; Q129-F133 WeakPolarHBondContact O-CE2 3.26Å; Q129-F133 PolarHBondContact O-N 3.04Å
130T79Confident84.5Confident60 Ų6063.6 Ų63.637%0.36833%0.328SS..Hα-helixtrans-53.9-38.2-179.8-57.30000113.3E126 F127 L128 F136E126-T130 PolarHBondContact O-N 3.21Å; E126-T130 PolarHBondContact O-OG1 2.79Å; F127-T130 WeakPolarHBondContact O-CB 3.27Å; F127-T130 PolarHBondContact O-N 3Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.48Å; T130-F136 HydrophobicContact CG2-CD2 4.23Å; T130-F136 HydrophobicContact CG2-CE2 3.91Å
131Y80.6Confident84.7Confident11 Ų1167 Ų674%0.04334%0.341CS..Hα-helixtrans-98.5-7.6-178-58-78.5000114F94 F127 L128 Q129 F136 Q159 S224 T227 A228F94-Y131 HydrophobicContact CE2-CG 4.21Å; F94-Y131 HydrophobicContact CZ-CG 4.37Å; F127-Y131 HydrophobicContact CD2-CD2 4.42Å; F127-Y131 AromaticContact CD2-CE2 3.75Å; F127-Y131 HydrophobicContact CD2-CE2 3.75Å; F127-Y131 HydrophobicContact CE1-CD2 4.04Å; F127-Y131 HydrophobicContact CE1-CE2 4.13Å; F127-Y131 AromaticContact CE2-CD2 3.99Å; F127-Y131 HydrophobicContact CE2-CD2 3.99Å; F127-Y131 AromaticContact CE2-CE2 3.23Å; F127-Y131 HydrophobicContact CE2-CE2 3.23Å; F127-Y131 HydrophobicContact CG-CE2 4.39Å; F127-Y131 AromaticContact CZ-CD2 3.71Å; F127-Y131 HydrophobicContact CZ-CD2 3.71Å; F127-Y131 AromaticContact CZ-CE2 3.39Å; F127-Y131 HydrophobicContact CZ-CE2 3.39Å; F127-Y131 WeakPolarHBondContact O-CD2 3.46Å; L128-Y131 PolarHBondContact O-N 3.43Å; Q129-Y131 VanDerWaalsContact C-N 3.25Å; Q129-Y131 PolarHBondContact O-N 3.02Å; Q129-Y131 VanDerWaalsContact O-N 3.17Å; Y131-F136 HydrophobicContact CD1-CD2 4.46Å; Y131-F136 HydrophobicContact CD1-CE2 4.42Å; Y131-F136 HydrophobicContact CE1-CD2 4.43Å; Y131-F136 AromaticContact CE1-CE2 3.96Å; Y131-F136 HydrophobicContact CE1-CE2 3.96Å; Y131-Q159 PolarHBondContact O-NE2 2.75Å; Y131-S224 WeakPolarHBondContact CE1-O 3.42Å; Y131-S224 VanDerWaalsContact OH-CA 3.3Å; Y131-S224 WeakPolarHBondContact OH-CA 3.22Å; Y131-S224 VanDerWaalsContact OH-CB 3.22Å; Y131-S224 WeakPolarHBondContact OH-CB 3.3Å; Y131-S224 PolarHBondContact OH-OG 3.47Å; Y131-T227 HydrophobicContact CD1-CG2 4.14Å; Y131-T227 HydrophobicContact CE1-CG2 3.77Å; Y131-T227 HydrophobicContact CE2-CG2 4.43Å; Y131-A228 HydrophobicContact CD1-CB 3.93Å; Y131-A228 HydrophobicContact CE1-CB 3.98Å
132N72.4Confident84.9Confident105 Ų10567.3 Ų67.356%0.56134%0.342SS*.Hα-helixtrans-91.8-5.4173.8-72.2-20.8000112.6L128 Q129L128-N132 VanDerWaalsContact O-CB 3.3Å; L128-N132 WeakPolarHBondContact O-CB 3.49Å; L128-N132 PolarHBondContact O-N 3.33Å; L128-N132 PolarHBondContact O-ND2 2.86Å; L128-N132 VanDerWaalsContact O-ND2 3.15Å; Q129-N132 PolarHBondContact O-N 2.67Å; Q129-N132 VanDerWaalsContact O-N 3.1Å
133F74.2Confident85.4Confident127 Ų12766.6 Ų66.656%0.55733%0.33SS*.SBendtrans-67.1146172.7-76.7-71.3000111.6Q129 L135Q129-F133 HydrophobicContact CB-CE2 4.23Å; Q129-F133 WeakPolarHBondContact O-CD2 3.02Å; Q129-F133 VanDerWaalsContact O-CE2 3.27Å; Q129-F133 WeakPolarHBondContact O-CE2 3.26Å; Q129-F133 PolarHBondContact O-N 3.04Å; F133-L135 PolarHBondContact O-N 2.84Å; F133-L135 VanDerWaalsContact O-N 3.14Å
134D83.1Confident85.8Confident102 Ų10262.1 Ų62.155%0.54531%0.314SS..SBendtrans-56.6-29.3175-79.8-14.2000112.3S158 Q159D134-S158 CarbonylContact O-C 3.55Å; D134-S158 VanDerWaalsContact O-CA 3.26Å; D134-S158 WeakPolarHBondContact O-CA 3.22Å; D134-Q159 PolarHBondContact O-N 2.64Å
135L92.3Very high86.7Confident97 Ų9765 Ų6551%0.50832%0.32SS..EExtended strand (participates in β ladder)trans-130.4136.1-176.9-64.3175.1000111.1F133 V156 L157F133-L135 PolarHBondContact O-N 2.84Å; F133-L135 VanDerWaalsContact O-N 3.14Å; L135-V156 HydrophobicContact CD2-CG1 3.9Å; L135-L157 CarbonylContact C-O 3.33Å; L135-L157 VanDerWaalsContact CA-O 3.27Å; L135-L157 WeakPolarHBondContact CA-O 3.3Å
136F94.9Very high87.4Confident30 Ų3067.5 Ų67.513%0.13233%0.333CS..EExtended strand (participates in β ladder)trans-124122.5168.9-178.7-77.9000109.2T130 Y131 V156 L157 F225 A228T130-F136 HydrophobicContact CG2-CD2 4.23Å; T130-F136 HydrophobicContact CG2-CE2 3.91Å; Y131-F136 HydrophobicContact CD1-CD2 4.46Å; Y131-F136 HydrophobicContact CD1-CE2 4.42Å; Y131-F136 HydrophobicContact CE1-CD2 4.43Å; Y131-F136 AromaticContact CE1-CE2 3.96Å; Y131-F136 HydrophobicContact CE1-CE2 3.96Å; F136-V156 CarbonylContact O-C 3.59Å; F136-V156 WeakPolarHBondContact O-CA 3.39Å; F136-L157 HydrophobicContact CB-CB 4.2Å; F136-L157 HydrophobicContact CD1-CD1 4.12Å; F136-L157 PolarHBondContact N-O 3.04Å; F136-L157 PolarHBondContact O-N 2.8Å; F136-F225 HydrophobicContact CD1-CD2 4.28Å; F136-F225 HydrophobicContact CE1-CB 4.29Å; F136-F225 AromaticContact CE1-CD2 4Å; F136-F225 HydrophobicContact CE1-CD2 4Å; F136-A228 HydrophobicContact CB-CB 4.09Å; F136-A228 HydrophobicContact CD1-CB 3.62Å; F136-A228 HydrophobicContact CD2-CB 3.74Å; F136-A228 HydrophobicContact CE1-CB 3.92Å; F136-A228 HydrophobicContact CE2-CB 4.02Å; F136-A228 HydrophobicContact CG-CB 3.53Å; F136-A228 HydrophobicContact CZ-CB 4.11Å
137E95.3Very high88Confident129 Ų12965.1 Ų65.160%0.60333%0.325SS*.EExtended strand (participates in β ladder)trans-111139.4-178.4-173.7172.5132.800111.6I154 F155 V156E137-I154 HydrophobicContact CG-CG2 3.55Å; E137-F155 CarbonylContact C-O 3.24Å; E137-F155 VanDerWaalsContact CA-O 3.31Å; E137-F155 WeakPolarHBondContact CA-O 3.35Å; E137-V156 HydrophobicContact CB-CG2 4.46Å; E137-V156 HydrophobicContact CG-CG2 4.11Å
138S96.4Very high88.5Confident11 Ų1173.5 Ų73.58%0.07736%0.361CS..EExtended strand (participates in β ladder)trans-150.1137.5171.7-176.20000111.5L140 F155S138-L140 WeakPolarHBondContact OG-CD2 3.49Å; S138-F155 PolarHBondContact N-O 2.76Å; S138-F155 PolarHBondContact O-N 3.33Å
139T98Very high89.6Confident51 Ų5177 Ų7731%0.31338%0.376SS..EExtended strand (participates in β ladder)trans-89.6123170.2-65.60000109.9K152 R153 H216T139-K152 HydrophobicContact CG2-CB 4.12Å; T139-K152 HydrophobicContact CG2-CD 4.37Å; T139-K152 HydrophobicContact CG2-CG 4.46Å; T139-R153 CarbonylContact C-O 3.48Å; T139-R153 WeakPolarHBondContact CA-O 3.44Å; T139-H216 PolarHBondContact O-CD2 3.01Å; T139-H216 VanDerWaalsContact O-CD2 3.28Å
140L98.6Very high90.7Very high1 Ų173.9 Ų73.91%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-128.2151.3-177-56.5175.8000111.1S138 K142 K152 R153 F155 V214 H216 I222 F225S138-L140 WeakPolarHBondContact OG-CD2 3.49Å; L140-K142 PolarHBondContact O-N 2.88Å; L140-K152 CarbonylContact O-C 3.58Å; L140-K152 WeakPolarHBondContact O-CA 3.32Å; L140-R153 PolarHBondContact N-O 3.49Å; L140-R153 PolarHBondContact O-N 3.22Å; L140-F155 HydrophobicContact CB-CD2 3.9Å; L140-F155 HydrophobicContact CB-CE2 3.83Å; L140-F155 HydrophobicContact CD1-CD2 3.79Å; L140-F155 HydrophobicContact CD1-CE2 4.1Å; L140-F155 HydrophobicContact CD1-CG 4.21Å; L140-F155 HydrophobicContact CG-CD2 3.98Å; L140-F155 HydrophobicContact CG-CE2 4.36Å; L140-V214 HydrophobicContact CB-CB 4.39Å; L140-V214 HydrophobicContact CD1-CB 4.3Å; L140-V214 HydrophobicContact CD1-CG2 4.07Å; L140-H216 HydrophobicContact CD2-CB 3.9Å; L140-I222 HydrophobicContact CD1-CD1 4.31Å; L140-I222 HydrophobicContact CD2-CD1 3.97Å; L140-F225 HydrophobicContact CD1-CD1 3.54Å; L140-F225 HydrophobicContact CD1-CD2 4.24Å; L140-F225 HydrophobicContact CD1-CE1 3.52Å; L140-F225 HydrophobicContact CD1-CE2 4.24Å; L140-F225 HydrophobicContact CD1-CG 3.9Å; L140-F225 HydrophobicContact CD1-CZ 3.89Å
141W98.5Very high91.5Very high71 Ų7174.3 Ų74.327%0.26936%0.361SS..EExtended strand (participates in β ladder)trans-76.1118.5166.9-70.9102.9000109F150 K152 V214 Y215W141-F150 HydrophobicContact CB-CB 4.29Å; W141-F150 HydrophobicContact CB-CD1 4.41Å; W141-F150 HydrophobicContact CE3-CB 4.29Å; W141-K152 HydrophobicContact CD2-CG 3.93Å; W141-K152 HydrophobicContact CE3-CG 3.99Å; W141-K152 HydrophobicContact CH2-CG 4.05Å; W141-K152 HydrophobicContact CZ2-CD 4.3Å; W141-K152 HydrophobicContact CZ2-CG 3.99Å; W141-K152 HydrophobicContact CZ3-CG 4.05Å; W141-V214 CarbonylContact O-C 3.57Å; W141-V214 WeakPolarHBondContact O-CA 3.37Å; W141-Y215 HydrophobicContact CB-CD1 3.76Å; W141-Y215 HydrophobicContact CB-CD2 4.09Å; W141-Y215 HydrophobicContact CB-CE1 3.41Å; W141-Y215 VanDerWaalsContact CB-CE1 3.41Å; W141-Y215 HydrophobicContact CB-CE2 3.75Å; W141-Y215 HydrophobicContact CB-CG 4.08Å; W141-Y215 AromaticContact CD1-CE2 3.39Å; W141-Y215 AromaticContact CD1-CZ 3.7Å; W141-Y215 HydrophobicContact CG-CD2 4.36Å; W141-Y215 HydrophobicContact CG-CE1 4.05Å; W141-Y215 AromaticContact CG-CE2 3.68Å; W141-Y215 HydrophobicContact CG-CE2 3.68Å; W141-Y215 AromaticContact CG-CZ 3.5Å; W141-Y215 VanDerWaalsContact CG-CZ 3.5Å; W141-Y215 PolarHBondContact N-O 2.89Å; W141-Y215 PolarHBondContact O-N 2.83Å
142K98.3Very high92.3Very high15 Ų1579.8 Ų79.87%0.06539%0.385CS..EExtended strand (participates in β ladder)trans-117.1130.1-178.1-176.6-163.2174.7-66.80110.8L140 F150 L151 R153 F155 Y166 V214L140-K142 PolarHBondContact O-N 2.88Å; K142-F150 WeakPolarHBondContact O-CA 3.36Å; K142-L151 PolarHBondContact N-O 2.85Å; K142-L151 PolarHBondContact O-N 3.19Å; K142-R153 HydrophobicContact CB-CB 4.23Å; K142-R153 HydrophobicContact CB-CG 3.78Å; K142-R153 HydrophobicContact CD-CG 3.95Å; K142-R153 HydrophobicContact CG-CG 4.5Å; K142-F155 HydrophobicContact CB-CE2 4.28Å; K142-F155 HydrophobicContact CB-CZ 4.19Å; K142-F155 HydrophobicContact CD-CZ 3.9Å; K142-F155 HydrophobicContact CG-CZ 4.11Å; K142-Y166 HydrophobicContact CD-CD2 4.36Å; K142-Y166 HydrophobicContact CD-CE2 4.18Å; K142-V214 HydrophobicContact CB-CG1 3.98Å; K142-V214 HydrophobicContact CG-CG1 3.88Å
143K97.6Very high93.5Very high18 Ų1877.3 Ų77.38%0.07837%0.367CS..EExtended strand (participates in β ladder)trans-61.9137.6171.6-163.4-176155.4-75.20111.2R145 N147 Q149 F150 F213 L295K143-R145 PolarHBondContact NZ-O 3.02Å; K143-N147 WeakPolarHBondContact CE-O 3.37Å; K143-N147 PolarHBondContact NZ-O 3.04Å; K143-Q149 CarbonylContact C-O 3.56Å; K143-Q149 WeakPolarHBondContact CA-O 3.37Å; K143-F150 HydrophobicContact CB-CD1 4Å; K143-F150 HydrophobicContact CB-CD2 4.32Å; K143-F150 HydrophobicContact CB-CE1 3.65Å; K143-F150 HydrophobicContact CB-CE2 3.99Å; K143-F150 HydrophobicContact CB-CG 4.33Å; K143-F150 HydrophobicContact CB-CZ 3.64Å; K143-F150 HydrophobicContact CD-CE2 4.28Å; K143-F150 HydrophobicContact CD-CZ 4.22Å; K143-F150 HydrophobicContact CG-CD2 4.33Å; K143-F150 HydrophobicContact CG-CE1 4.47Å; K143-F150 HydrophobicContact CG-CE2 3.92Å; K143-F150 HydrophobicContact CG-CZ 4Å; K143-F150 VanDerWaalsContact N-CD1 3.25Å; K143-F213 HydrophobicContact CB-CB 4.05Å; K143-F213 HydrophobicContact CD-CB 4.48Å; K143-F213 HydrophobicContact CD-CD2 4.14Å; K143-F213 PolarHBondContact N-O 3.31Å; K143-L295 HydrophobicContact CD-CB 4.32Å; K143-L295 PolarHBondContact NZ-O 3.43Å
144G95.4Very high94.6Very high20 Ų2071.9 Ų71.921%0.20634%0.344CS..  trans-62.7161.2166.600000112.4N147 Q149G144-N147 VanDerWaalsContact CA-OD1 3.3Å; G144-N147 WeakPolarHBondContact CA-OD1 3.4Å; G144-Q149 PolarHBondContact N-O 3.12Å
145R92.6Very high95.4Very high126 Ų12667 Ų6748%0.47532%0.318SS..SBendtrans-62.3-58.5-178.2-174.7-172-176.7157.35.1110.3K143 A297K143-R145 PolarHBondContact NZ-O 3.02Å; R145-A297 HydrophobicContact CB-CB 4.48Å; R145-A297 HydrophobicContact CG-CB 3.7Å
146D87.9Confident95.6Very high143 Ų14363 Ų6377%0.76530%0.297SS*.SBendtrans-108-16.3-170.8-47.5-63.1000112.7
147N88.6Confident95.7Very high74 Ų7461.6 Ų61.640%0.39629%0.291SS..SBendtrans-96.9161.7175.470.634000111.6K143 G144 Q149K143-N147 WeakPolarHBondContact CE-O 3.37Å; K143-N147 PolarHBondContact NZ-O 3.04Å; G144-N147 VanDerWaalsContact CA-OD1 3.3Å; G144-N147 WeakPolarHBondContact CA-OD1 3.4Å; N147-Q149 VanDerWaalsContact C-N 3.28Å; N147-Q149 PolarHBondContact OD1-N 2.94Å; N147-Q149 PolarHBondContact OD1-O 3.15Å
148K88.3Confident95.7Very high193 Ų19355.6 Ų55.684%0.83926%0.264SS*.SBendtrans-84.7-1.3176.2-63.4-176.2179.9-179.60113
149Q95.2Very high95.6Very high122 Ų12257.2 Ų57.257%0.5727%0.27SS*.  trans-78.5139.5-174.3-67.6-179.3-1.800111.1K143 G144 N147K143-Q149 CarbonylContact C-O 3.56Å; K143-Q149 WeakPolarHBondContact CA-O 3.37Å; G144-Q149 PolarHBondContact N-O 3.12Å; N147-Q149 VanDerWaalsContact C-N 3.28Å; N147-Q149 PolarHBondContact OD1-N 2.94Å; N147-Q149 PolarHBondContact OD1-O 3.15Å
150F97.3Very high95.3Very high45 Ų4562.7 Ų62.720%0.19729%0.289CS..EExtended strand (participates in β ladder)trans-99.5132.5168.1-74.5-105.8000109W141 K142 K143 I193 F213 Y215W141-F150 HydrophobicContact CB-CB 4.29Å; W141-F150 HydrophobicContact CB-CD1 4.41Å; W141-F150 HydrophobicContact CE3-CB 4.29Å; K142-F150 WeakPolarHBondContact O-CA 3.36Å; K143-F150 HydrophobicContact CB-CD1 4Å; K143-F150 HydrophobicContact CB-CD2 4.32Å; K143-F150 HydrophobicContact CB-CE1 3.65Å; K143-F150 HydrophobicContact CB-CE2 3.99Å; K143-F150 HydrophobicContact CB-CG 4.33Å; K143-F150 HydrophobicContact CB-CZ 3.64Å; K143-F150 HydrophobicContact CD-CE2 4.28Å; K143-F150 HydrophobicContact CD-CZ 4.22Å; K143-F150 HydrophobicContact CG-CD2 4.33Å; K143-F150 HydrophobicContact CG-CE1 4.47Å; K143-F150 HydrophobicContact CG-CE2 3.92Å; K143-F150 HydrophobicContact CG-CZ 4Å; K143-F150 VanDerWaalsContact N-CD1 3.25Å; F150-I193 HydrophobicContact CE1-CG2 4.39Å; F150-I193 HydrophobicContact CZ-CG2 4.03Å; F150-F213 HydrophobicContact CE1-CB 4.46Å; F150-Y215 HydrophobicContact CB-CE1 3.94Å; F150-Y215 AromaticContact CD1-CD1 3.56Å; F150-Y215 HydrophobicContact CD1-CD1 3.56Å; F150-Y215 AromaticContact CD1-CE1 3.4Å; F150-Y215 HydrophobicContact CD1-CE1 3.4Å; F150-Y215 VanDerWaalsContact CD1-CE1 3.4Å; F150-Y215 HydrophobicContact CD2-CE1 4.39Å; F150-Y215 AromaticContact CE1-CD1 3.69Å; F150-Y215 HydrophobicContact CE1-CD1 3.69Å; F150-Y215 AromaticContact CE1-CE1 3.93Å; F150-Y215 HydrophobicContact CE1-CE1 3.93Å; F150-Y215 HydrophobicContact CG-CD1 4.29Å; F150-Y215 AromaticContact CG-CE1 3.67Å; F150-Y215 HydrophobicContact CG-CE1 3.67Å
151L96.9Very high95.1Very high70 Ų7066.2 Ų66.237%0.36631%0.308SS..EExtended strand (participates in β ladder)trans-130.4144.7178.5-62.8172.4000109.3K142 R153K142-L151 PolarHBondContact N-O 2.85Å; K142-L151 PolarHBondContact O-N 3.19Å; L151-R153 VanDerWaalsContact CB-NH1 3.28Å; L151-R153 VanDerWaalsContact CD1-NH2 3.28Å; L151-R153 PolarHBondContact O-N 3.42Å
152K97.4Very high95Very high126 Ų12664.2 Ų64.255%0.54830%0.301SS..EExtended strand (participates in β ladder)trans-61.6131.7177.2-68.1-173.6179.7-177.60111.1T139 L140 W141T139-K152 HydrophobicContact CG2-CB 4.12Å; T139-K152 HydrophobicContact CG2-CD 4.37Å; T139-K152 HydrophobicContact CG2-CG 4.46Å; L140-K152 CarbonylContact O-C 3.58Å; L140-K152 WeakPolarHBondContact O-CA 3.32Å; W141-K152 HydrophobicContact CD2-CG 3.93Å; W141-K152 HydrophobicContact CE3-CG 3.99Å; W141-K152 HydrophobicContact CH2-CG 4.05Å; W141-K152 HydrophobicContact CZ2-CD 4.3Å; W141-K152 HydrophobicContact CZ2-CG 3.99Å; W141-K152 HydrophobicContact CZ3-CG 4.05Å
153R97.8Very high95Very high53 Ų5364.2 Ų64.220%0.230%0.303CS..EExtended strand (participates in β ladder)trans-138.8146.6177.1-61.3-65.3178.3-100.42.2108.4T139 L140 K142 L151 F155 Y166 F167T139-R153 CarbonylContact C-O 3.48Å; T139-R153 WeakPolarHBondContact CA-O 3.44Å; L140-R153 PolarHBondContact N-O 3.49Å; L140-R153 PolarHBondContact O-N 3.22Å; K142-R153 HydrophobicContact CB-CB 4.23Å; K142-R153 HydrophobicContact CB-CG 3.78Å; K142-R153 HydrophobicContact CD-CG 3.95Å; K142-R153 HydrophobicContact CG-CG 4.5Å; L151-R153 VanDerWaalsContact CB-NH1 3.28Å; L151-R153 VanDerWaalsContact CD1-NH2 3.28Å; L151-R153 PolarHBondContact O-N 3.42Å; R153-F155 HydrophobicContact CB-CD2 4.33Å; R153-F155 HydrophobicContact CB-CE2 3.76Å; R153-F155 HydrophobicContact CB-CZ 4.44Å; R153-Y166 HydrophobicContact CB-CD2 4.42Å; R153-Y166 HydrophobicContact CG-CD2 4.47Å; R153-F167 VanDerWaalsContact CD-O 3.26Å; R153-F167 WeakPolarHBondContact CD-O 3.3Å
154I97.6Very high95Very high13 Ų1363.4 Ų63.47%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-94130.7176.6-55.7149.3000107E137 V156 Y166 F167 E170E137-I154 HydrophobicContact CG-CG2 3.55Å; I154-V156 HydrophobicContact CG2-CG2 4.22Å; I154-Y166 CarbonylContact O-C 3.6Å; I154-Y166 WeakPolarHBondContact O-CA 3.4Å; I154-Y166 WeakPolarHBondContact O-CB 3.48Å; I154-F167 HydrophobicContact CB-CB 4.45Å; I154-F167 PolarHBondContact N-O 3.34Å; I154-F167 PolarHBondContact O-N 3.22Å; I154-E170 HydrophobicContact CD1-CB 3.87Å; I154-E170 HydrophobicContact CD1-CG 3.29Å; I154-E170 HydrophobicContact CG1-CG 4.21Å
155F98.1Very high95.1Very high0 Ų065 Ų650%030%0.299CS..EExtended strand (participates in β ladder)trans-112.9131.6176.3-72.1-98.2000108.5E137 S138 L140 K142 R153 L164 R165 Y166 L212 V214 F225E137-F155 CarbonylContact C-O 3.24Å; E137-F155 VanDerWaalsContact CA-O 3.31Å; E137-F155 WeakPolarHBondContact CA-O 3.35Å; S138-F155 PolarHBondContact N-O 2.76Å; S138-F155 PolarHBondContact O-N 3.33Å; L140-F155 HydrophobicContact CB-CD2 3.9Å; L140-F155 HydrophobicContact CB-CE2 3.83Å; L140-F155 HydrophobicContact CD1-CD2 3.79Å; L140-F155 HydrophobicContact CD1-CE2 4.1Å; L140-F155 HydrophobicContact CD1-CG 4.21Å; L140-F155 HydrophobicContact CG-CD2 3.98Å; L140-F155 HydrophobicContact CG-CE2 4.36Å; K142-F155 HydrophobicContact CB-CE2 4.28Å; K142-F155 HydrophobicContact CB-CZ 4.19Å; K142-F155 HydrophobicContact CD-CZ 3.9Å; K142-F155 HydrophobicContact CG-CZ 4.11Å; R153-F155 HydrophobicContact CB-CD2 4.33Å; R153-F155 HydrophobicContact CB-CE2 3.76Å; R153-F155 HydrophobicContact CB-CZ 4.44Å; F155-L164 HydrophobicContact CB-CD1 4.15Å; F155-L164 HydrophobicContact CD1-CD1 4.01Å; F155-L164 HydrophobicContact CD1-CD2 4.29Å; F155-L164 HydrophobicContact CD1-CG 4.35Å; F155-R165 CarbonylContact C-O 3.57Å; F155-R165 VanDerWaalsContact CA-O 3.31Å; F155-R165 WeakPolarHBondContact CA-O 3.22Å; F155-Y166 HydrophobicContact CD1-CG 4.49Å; F155-Y166 HydrophobicContact CE1-CD1 4.25Å; F155-Y166 HydrophobicContact CE1-CG 4.09Å; F155-Y166 HydrophobicContact CZ-CG 4.4Å; F155-L212 HydrophobicContact CE1-CD1 4.31Å; F155-V214 HydrophobicContact CE1-CG1 4.44Å; F155-V214 HydrophobicContact CE2-CG1 4.15Å; F155-V214 HydrophobicContact CZ-CG1 3.66Å; F155-F225 HydrophobicContact CB-CE2 3.56Å; F155-F225 HydrophobicContact CB-CZ 3.74Å; F155-F225 HydrophobicContact CD1-CZ 4.06Å; F155-F225 HydrophobicContact CG-CE2 4.31Å; F155-F225 HydrophobicContact CG-CZ 4.01Å
156V96.9Very high95.3Very high12 Ų1259.8 Ų59.87%0.07328%0.279CS..EExtended strand (participates in β ladder)trans-124.1115.9178.5-178.30000108.1L135 F136 E137 I154 R165 F167L135-V156 HydrophobicContact CD2-CG1 3.9Å; F136-V156 CarbonylContact O-C 3.59Å; F136-V156 WeakPolarHBondContact O-CA 3.39Å; E137-V156 HydrophobicContact CB-CG2 4.46Å; E137-V156 HydrophobicContact CG-CG2 4.11Å; I154-V156 HydrophobicContact CG2-CG2 4.22Å; V156-R165 PolarHBondContact N-O 2.91Å; V156-R165 PolarHBondContact O-N 2.73Å; V156-F167 HydrophobicContact CB-CE2 4.28Å; V156-F167 HydrophobicContact CG2-CD2 4.28Å; V156-F167 HydrophobicContact CG2-CE2 3.83Å
157L97.1Very high95.8Very high1 Ų154.3 Ų54.31%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-91.3141.4170.4-71.8157.9000109L135 F136 T163 L164 M181 F225 A228 I229L135-L157 CarbonylContact C-O 3.33Å; L135-L157 VanDerWaalsContact CA-O 3.27Å; L135-L157 WeakPolarHBondContact CA-O 3.3Å; F136-L157 HydrophobicContact CB-CB 4.2Å; F136-L157 HydrophobicContact CD1-CD1 4.12Å; F136-L157 PolarHBondContact N-O 3.04Å; F136-L157 PolarHBondContact O-N 2.8Å; L157-T163 WeakPolarHBondContact CA-O 3.46Å; L157-L164 HydrophobicContact CD2-CB 3.83Å; L157-L164 HydrophobicContact CD2-CD1 3.53Å; L157-L164 HydrophobicContact CD2-CG 4.21Å; L157-L164 HydrophobicContact CG-CD1 3.66Å; L157-M181 HydrophobicContact CD2-CE 3.27Å; L157-F225 HydrophobicContact CD1-CD2 4.04Å; L157-F225 HydrophobicContact CD1-CE2 3.78Å; L157-F225 HydrophobicContact CD1-CZ 4.48Å; L157-F225 HydrophobicContact CG-CE2 4.22Å; L157-A228 HydrophobicContact CD1-CB 3.5Å; L157-A228 VanDerWaalsContact CD1-CB 3.5Å; L157-I229 HydrophobicContact CD1-CG1 3.91Å; L157-I229 HydrophobicContact CD2-CG1 3.96Å
158S95.5Very high96Very high3 Ų353.6 Ų53.62%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-134.8118.8-178.5163.30000110.9D134 K160 D161 F162 T163 R165 T232D134-S158 CarbonylContact O-C 3.55Å; D134-S158 VanDerWaalsContact O-CA 3.26Å; D134-S158 WeakPolarHBondContact O-CA 3.22Å; S158-K160 VanDerWaalsContact C-N 3.32Å; S158-D161 WeakPolarHBondContact CB-OD1 3.4Å; S158-D161 VanDerWaalsContact OG-CG 3.25Å; S158-D161 PolarHBondContact OG-N 3.07Å; S158-D161 PolarHBondContact OG-OD1 3.2Å; S158-F162 WeakPolarHBondContact O-CA 3.47Å; S158-F162 PolarHBondContact O-N 2.92Å; S158-T163 PolarHBondContact N-O 3.23Å; S158-T163 PolarHBondContact O-N 3.14Å; S158-R165 VanDerWaalsContact CB-NH2 3.29Å; S158-R165 PolarHBondContact OG-NH2 3.32Å; S158-T232 WeakPolarHBondContact O-CG2 3.46Å
159Q93.6Very high96Very high45 Ų4551.7 Ų51.721%0.2124%0.239CC..THydrogen-bonded Turntrans-79-18.9175.4-61.6-163.614.400112.5Y131 D134 F162 T232Y131-Q159 PolarHBondContact O-NE2 2.75Å; D134-Q159 PolarHBondContact O-N 2.64Å; Q159-F162 WeakPolarHBondContact O-CD1 3.49Å; Q159-F162 WeakPolarHBondContact O-CE1 3.5Å; Q159-F162 WeakPolarHBondContact O-CZ 3.2Å; Q159-T232 HydrophobicContact CG-CG2 4.08Å
160K92.6Very high95.3Very high165 Ų16553.1 Ų53.172%0.71725%0.246SC*.THydrogen-bonded Turntrans-69.4-43.4179.2-173.9175.5-177.8174.10112.8S158S158-K160 VanDerWaalsContact C-N 3.32Å
161D94.7Very high94.6Very high75 Ų7558.3 Ų58.340%0.40128%0.275SS..THydrogen-bonded Turntrans-112.80.3-178.367.25.3000113.6S158 T163 R165S158-D161 WeakPolarHBondContact CB-OD1 3.4Å; S158-D161 VanDerWaalsContact OG-CG 3.25Å; S158-D161 PolarHBondContact OG-N 3.07Å; S158-D161 PolarHBondContact OG-OD1 3.2Å; D161-T163 HydrophobicContact CB-CG2 4.42Å; D161-T163 VanDerWaalsContact CG-OG1 3.22Å; D161-T163 WeakPolarHBondContact OD1-CB 3.4Å; D161-T163 PolarHBondContact OD1-N 2.71Å; D161-T163 PolarHBondContact OD1-OG1 2.88Å; D161-T163 PolarHBondContact OD2-OG1 3.33Å; D161-R165 IonicContact OD1-NH2 3.41Å; D161-R165 PolarHBondContact OD1-NH2 3.09Å; D161-R165 IonicContact OD2-CZ 2.63Å; D161-R165 IonicContact OD2-NE 3.26Å; D161-R165 IonicContact OD2-NH2 3.58Å; D161-R165 PolarHBondContact OD2-NH2 3.05Å
162F96.6Very high94.2Very high29 Ų2956.5 Ų56.513%0.12727%0.269CS..THydrogen-bonded Turntrans55.150.5-179.3-49.4-70.7000112.8S158 Q159 M181 A235 Y236 K239S158-F162 WeakPolarHBondContact O-CA 3.47Å; S158-F162 PolarHBondContact O-N 2.92Å; Q159-F162 WeakPolarHBondContact O-CD1 3.49Å; Q159-F162 WeakPolarHBondContact O-CE1 3.5Å; Q159-F162 WeakPolarHBondContact O-CZ 3.2Å; F162-M181 HydrophobicContact CB-CB 4.13Å; F162-M181 HydrophobicContact CB-CG 4.09Å; F162-M181 WeakPolarHBondContact O-CB 3.25Å; F162-M181 VanDerWaalsContact O-CG 3.25Å; F162-M181 WeakPolarHBondContact O-CG 3.38Å; F162-M181 PolarHBondContact O-N 3.23Å; F162-A235 HydrophobicContact CE1-CB 3.96Å; F162-Y236 HydrophobicContact CB-CD2 3.85Å; F162-Y236 HydrophobicContact CB-CG 4.4Å; F162-Y236 HydrophobicContact CD1-CD2 4.46Å; F162-Y236 HydrophobicContact CD2-CD2 4.25Å; F162-Y236 AromaticContact CG-CD2 3.92Å; F162-Y236 HydrophobicContact CG-CD2 3.92Å; F162-Y236 HydrophobicContact CG-CG 4.43Å; F162-K239 HydrophobicContact CD2-CD 4.48Å; F162-K239 HydrophobicContact CE2-CD 3.33Å; F162-K239 HydrophobicContact CZ-CB 4.23Å; F162-K239 HydrophobicContact CZ-CD 3.49Å; F162-K239 VanDerWaalsContact CZ-CD 3.49Å
163T97.2Very high93.7Very high16 Ų1660.4 Ų60.410%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-125.3150.6179.2660000113.1L157 S158 D161 R165 V178 I179L157-T163 WeakPolarHBondContact CA-O 3.46Å; S158-T163 PolarHBondContact N-O 3.23Å; S158-T163 PolarHBondContact O-N 3.14Å; D161-T163 HydrophobicContact CB-CG2 4.42Å; D161-T163 VanDerWaalsContact CG-OG1 3.22Å; D161-T163 WeakPolarHBondContact OD1-CB 3.4Å; D161-T163 PolarHBondContact OD1-N 2.71Å; D161-T163 PolarHBondContact OD1-OG1 2.88Å; D161-T163 PolarHBondContact OD2-OG1 3.33Å; T163-R165 PolarHBondContact OG1-NE 3.41Å; T163-R165 VanDerWaalsContact OG1-NE 3.12Å; T163-V178 HydrophobicContact CG2-CG1 3.82Å; T163-I179 CarbonylContact C-O 3.6Å; T163-I179 VanDerWaalsContact CA-O 3.27Å; T163-I179 WeakPolarHBondContact CA-O 3.29Å
164L98.1Very high93.4Very high0 Ų063.5 Ų63.50%031%0.31CS..EExtended strand (participates in β ladder)trans-105.9121.7158.9173.465.9000108.1F155 L157 I179 M181 L184 I201 F225F155-L164 HydrophobicContact CB-CD1 4.15Å; F155-L164 HydrophobicContact CD1-CD1 4.01Å; F155-L164 HydrophobicContact CD1-CD2 4.29Å; F155-L164 HydrophobicContact CD1-CG 4.35Å; L157-L164 HydrophobicContact CD2-CB 3.83Å; L157-L164 HydrophobicContact CD2-CD1 3.53Å; L157-L164 HydrophobicContact CD2-CG 4.21Å; L157-L164 HydrophobicContact CG-CD1 3.66Å; L164-I179 HydrophobicContact CB-CB 4.31Å; L164-I179 HydrophobicContact CD2-CD1 4.26Å; L164-I179 PolarHBondContact N-O 2.91Å; L164-I179 WeakPolarHBondContact O-CB 3.27Å; L164-I179 PolarHBondContact O-N 3.03Å; L164-M181 HydrophobicContact CB-CE 3.88Å; L164-L184 HydrophobicContact CB-CD1 3.87Å; L164-L184 HydrophobicContact CD2-CD1 3.86Å; L164-I201 HydrophobicContact CD2-CD1 4.17Å; L164-I201 HydrophobicContact CD2-CG2 4.34Å; L164-F225 HydrophobicContact CD1-CE2 4.12Å; L164-F225 HydrophobicContact CD1-CZ 3.83Å; L164-F225 HydrophobicContact CD2-CZ 4.4Å
165R97.3Very high93.3Very high53 Ų5363.9 Ų63.920%0.232%0.316CS..EExtended strand (participates in β ladder)trans-112.8148.5176.7-60.1-179.2-125.9124-2.9109.1F155 V156 S158 D161 T163 F167 A175 A177 V178F155-R165 CarbonylContact C-O 3.57Å; F155-R165 VanDerWaalsContact CA-O 3.31Å; F155-R165 WeakPolarHBondContact CA-O 3.22Å; V156-R165 PolarHBondContact N-O 2.91Å; V156-R165 PolarHBondContact O-N 2.73Å; S158-R165 VanDerWaalsContact CB-NH2 3.29Å; S158-R165 PolarHBondContact OG-NH2 3.32Å; D161-R165 IonicContact OD1-NH2 3.41Å; D161-R165 PolarHBondContact OD1-NH2 3.09Å; D161-R165 IonicContact OD2-CZ 2.63Å; D161-R165 IonicContact OD2-NE 3.26Å; D161-R165 IonicContact OD2-NH2 3.58Å; D161-R165 PolarHBondContact OD2-NH2 3.05Å; T163-R165 PolarHBondContact OG1-NE 3.41Å; T163-R165 VanDerWaalsContact OG1-NE 3.12Å; R165-F167 HydrophobicContact CB-CE2 4.04Å; R165-F167 HydrophobicContact CB-CZ 4.38Å; R165-A175 HydrophobicContact CB-CB 4.05Å; R165-A175 HydrophobicContact CG-CB 4.43Å; R165-A177 WeakPolarHBondContact CA-O 3.32Å; R165-V178 HydrophobicContact CG-CB 4.4Å; R165-V178 HydrophobicContact CG-CG1 4.07Å; R165-V178 HydrophobicContact CG-CG2 4.13Å
166Y97.2Very high93.2Very high17 Ų1770.1 Ų70.17%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-134.9148.9167.582.4-96.4000113.2K142 R153 I154 F155 K176 A177 L212K142-Y166 HydrophobicContact CD-CD2 4.36Å; K142-Y166 HydrophobicContact CD-CE2 4.18Å; R153-Y166 HydrophobicContact CB-CD2 4.42Å; R153-Y166 HydrophobicContact CG-CD2 4.47Å; I154-Y166 CarbonylContact O-C 3.6Å; I154-Y166 WeakPolarHBondContact O-CA 3.4Å; I154-Y166 WeakPolarHBondContact O-CB 3.48Å; F155-Y166 HydrophobicContact CD1-CG 4.49Å; F155-Y166 HydrophobicContact CE1-CD1 4.25Å; F155-Y166 HydrophobicContact CE1-CG 4.09Å; F155-Y166 HydrophobicContact CZ-CG 4.4Å; Y166-K176 HydrophobicContact CD2-CB 4.08Å; Y166-K176 HydrophobicContact CE2-CB 3.57Å; Y166-K176 HydrophobicContact CE2-CG 3.56Å; Y166-K176 PolarHBondContact O-N 3.2Å; Y166-K176 WeakPolarHBondContact OH-CG 3.37Å; Y166-A177 HydrophobicContact CD1-CB 3.91Å; Y166-A177 HydrophobicContact CE1-CB 3.4Å; Y166-A177 VanDerWaalsContact CE1-CB 3.4Å; Y166-A177 PolarHBondContact N-O 3.27Å; Y166-L212 HydrophobicContact CD1-CD1 4.44Å; Y166-L212 HydrophobicContact CE1-CD1 4.39Å
167F97.3Very high93.1Very high29 Ų2970.5 Ų70.513%0.12735%0.347CS..EExtended strand (participates in β ladder)trans-121145-174.7-57.7-95.6000110.4R153 I154 V156 R165 S172 V174 A175R153-F167 VanDerWaalsContact CD-O 3.26Å; R153-F167 WeakPolarHBondContact CD-O 3.3Å; I154-F167 HydrophobicContact CB-CB 4.45Å; I154-F167 PolarHBondContact N-O 3.34Å; I154-F167 PolarHBondContact O-N 3.22Å; V156-F167 HydrophobicContact CB-CE2 4.28Å; V156-F167 HydrophobicContact CG2-CD2 4.28Å; V156-F167 HydrophobicContact CG2-CE2 3.83Å; R165-F167 HydrophobicContact CB-CE2 4.04Å; R165-F167 HydrophobicContact CB-CZ 4.38Å; F167-S172 WeakPolarHBondContact CD1-O 3.41Å; F167-S172 WeakPolarHBondContact CE1-O 3.49Å; F167-V174 WeakPolarHBondContact CD1-O 3.45Å; F167-A175 HydrophobicContact CD1-CB 4.32Å; F167-A175 VanDerWaalsContact CE1-CA 3.44Å; F167-A175 HydrophobicContact CE1-CB 3.78Å; F167-A175 VanDerWaalsContact CE1-N 3.34Å; F167-A175 HydrophobicContact CE2-CB 4.48Å; F167-A175 HydrophobicContact CZ-CB 3.87Å
168T93.3Very high93.1Very high59 Ų5974.7 Ų74.736%0.36237%0.373SS..SBendtrans-79.6-26.6179.144.70000113.6K176T168-K176 HydrophobicContact CG2-CB 4.15Å; T168-K176 HydrophobicContact CG2-CD 4.37Å; T168-K176 HydrophobicContact CG2-CG 4.11Å
169K88.1Confident93.1Very high152 Ų15274.7 Ų74.766%0.66137%0.372SS*.SBendtrans-144.7155.6179.5-54.1-179.4178.4-177.20108.9D171 S172K169-D171 PolarHBondContact O-N 3.06Å; K169-S172 PolarHBondContact N-OG 3.18Å; K169-S172 VanDerWaalsContact O-CB 3.26Å; K169-S172 WeakPolarHBondContact O-CB 3.29Å; K169-S172 PolarHBondContact O-N 3.32Å; K169-S172 PolarHBondContact O-OG 3.16Å
170E80.4Confident93.3Very high152 Ų15275.4 Ų75.471%0.7138%0.382SS*.THydrogen-bonded Turntrans-56.2-47.9179.2-72.6174.5-173.900112.7I154 S172I154-E170 HydrophobicContact CD1-CB 3.87Å; I154-E170 HydrophobicContact CD1-CG 3.29Å; I154-E170 HydrophobicContact CG1-CG 4.21Å; E170-S172 PolarHBondContact O-N 3.34Å
171D83.6Confident93.4Very high154 Ų15467.6 Ų67.682%0.82435%0.348SS*.THydrogen-bonded Turntrans-77.26.4-176.8-48.3-51.3000114.4K169 K173K169-D171 PolarHBondContact O-N 3.06Å; D171-K173 PolarHBondContact O-N 3.04Å; D171-K173 VanDerWaalsContact O-N 3.13Å
172S87.5Confident93.3Very high32 Ų3269 Ų6922%0.22435%0.351CS..  trans-73.1109.4-176.9-58.30000110.3F167 K169 E170 V174F167-S172 WeakPolarHBondContact CD1-O 3.41Å; F167-S172 WeakPolarHBondContact CE1-O 3.49Å; K169-S172 PolarHBondContact N-OG 3.18Å; K169-S172 VanDerWaalsContact O-CB 3.26Å; K169-S172 WeakPolarHBondContact O-CB 3.29Å; K169-S172 PolarHBondContact O-N 3.32Å; K169-S172 PolarHBondContact O-OG 3.16Å; E170-S172 PolarHBondContact O-N 3.34Å; S172-V174 PolarHBondContact O-N 3.07Å
173K86.6Confident92.8Very high208 Ų20870.9 Ų70.990%0.90436%0.362SS*.SBendtrans-68.8-16.9174-60.1-171-179.4-176.50113.8D171D171-K173 PolarHBondContact O-N 3.04Å; D171-K173 VanDerWaalsContact O-N 3.13Å
174V92.2Very high92.7Very high118 Ų11870.3 Ų70.372%0.71536%0.359SS*.SBendtrans-116.2125.6-176.2-176.30000109.7F167 S172F167-V174 WeakPolarHBondContact CD1-O 3.45Å; S172-V174 PolarHBondContact O-N 3.07Å
175A95.3Very high92.5Very high22 Ų2271.3 Ų71.318%0.18236%0.364CS..  trans-65.6136.6175.100000110.2R165 F167 A177 V178R165-A175 HydrophobicContact CB-CB 4.05Å; R165-A175 HydrophobicContact CG-CB 4.43Å; F167-A175 HydrophobicContact CD1-CB 4.32Å; F167-A175 VanDerWaalsContact CE1-CA 3.44Å; F167-A175 HydrophobicContact CE1-CB 3.78Å; F167-A175 VanDerWaalsContact CE1-N 3.34Å; F167-A175 HydrophobicContact CE2-CB 4.48Å; F167-A175 HydrophobicContact CZ-CB 3.87Å; A175-A177 VanDerWaalsContact C-N 3.27Å; A175-A177 PolarHBondContact O-N 3.42Å; A175-V178 HydrophobicContact CB-CG2 3.94Å
176K95.6Very high92.4Very high131 Ų13168.8 Ų68.857%0.5735%0.354SS*.SBendtrans-69.5-30.5176178.565.5-165104.60111.8Y166 T168Y166-K176 HydrophobicContact CD2-CB 4.08Å; Y166-K176 HydrophobicContact CE2-CB 3.57Å; Y166-K176 HydrophobicContact CE2-CG 3.56Å; Y166-K176 PolarHBondContact O-N 3.2Å; Y166-K176 WeakPolarHBondContact OH-CG 3.37Å; T168-K176 HydrophobicContact CG2-CB 4.15Å; T168-K176 HydrophobicContact CG2-CD 4.37Å; T168-K176 HydrophobicContact CG2-CG 4.11Å
177A95.4Very high92.3Very high19 Ų1969.6 Ų69.616%0.15736%0.359CS..EExtended strand (participates in β ladder)trans-148.8149.516900000109.8R165 Y166 A175 I179R165-A177 WeakPolarHBondContact CA-O 3.32Å; Y166-A177 HydrophobicContact CD1-CB 3.91Å; Y166-A177 HydrophobicContact CE1-CB 3.4Å; Y166-A177 VanDerWaalsContact CE1-CB 3.4Å; Y166-A177 PolarHBondContact N-O 3.27Å; A175-A177 VanDerWaalsContact C-N 3.27Å; A175-A177 PolarHBondContact O-N 3.42Å; A177-I179 HydrophobicContact CB-CG1 4.47Å
178V96.3Very high92.3Very high90 Ų9068.5 Ų68.555%0.54535%0.354SS..EExtended strand (participates in β ladder)trans-121.3115.9171.9-177.30000106.8T163 R165 A175T163-V178 HydrophobicContact CG2-CG1 3.82Å; R165-V178 HydrophobicContact CG-CB 4.4Å; R165-V178 HydrophobicContact CG-CG1 4.07Å; R165-V178 HydrophobicContact CG-CG2 4.13Å; A175-V178 HydrophobicContact CB-CG2 3.94Å
179I97.2Very high92.4Very high2 Ų266.6 Ų66.61%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-112120.3-171.8-55164.6000107.7T163 L164 A177 L184 Y203 L212T163-I179 CarbonylContact C-O 3.6Å; T163-I179 VanDerWaalsContact CA-O 3.27Å; T163-I179 WeakPolarHBondContact CA-O 3.29Å; L164-I179 HydrophobicContact CB-CB 4.31Å; L164-I179 HydrophobicContact CD2-CD1 4.26Å; L164-I179 PolarHBondContact N-O 2.91Å; L164-I179 WeakPolarHBondContact O-CB 3.27Å; L164-I179 PolarHBondContact O-N 3.03Å; A177-I179 HydrophobicContact CB-CG1 4.47Å; I179-L184 HydrophobicContact CG2-CB 4.47Å; I179-L184 HydrophobicContact CG2-CD1 3.85Å; I179-L184 HydrophobicContact CG2-CG 4.49Å; I179-Y203 HydrophobicContact CD1-CD1 3.9Å; I179-Y203 HydrophobicContact CD1-CE1 3.51Å; I179-Y203 HydrophobicContact CG1-CD1 4.2Å; I179-Y203 HydrophobicContact CG1-CD2 4.28Å; I179-Y203 HydrophobicContact CG1-CE1 3.91Å; I179-Y203 HydrophobicContact CG1-CE2 3.99Å; I179-Y203 HydrophobicContact CG1-CG 4.36Å; I179-Y203 HydrophobicContact CG2-CD1 3.78Å; I179-Y203 HydrophobicContact CG2-CD2 3.73Å; I179-Y203 HydrophobicContact CG2-CE1 4.35Å; I179-Y203 HydrophobicContact CG2-CE2 4.32Å; I179-Y203 HydrophobicContact CG2-CG 3.41Å; I179-Y203 VanDerWaalsContact CG2-CG 3.41Å; I179-L212 HydrophobicContact CD1-CD1 3.83Å
180S96.1Very high92.8Very high61 Ų6160.1 Ų60.143%0.42731%0.314SS..EExtended strand (participates in β ladder)trans-71.2141.6176.9-178.30000111K182S180-K182 PolarHBondContact O-N 3.06Å; S180-K182 WeakPolarHBondContact OG-CB 3.48Å; S180-K182 PolarHBondContact OG-N 3.47Å
181M95.7Very high93.4Very high0 Ų060.5 Ų60.50%032%0.316CS..G310 helixtrans-61.4-22.9170.5-72.2-62.8149.600112.7L157 F162 L164 D183 L184 T232 R233 Y236L157-M181 HydrophobicContact CD2-CE 3.27Å; F162-M181 HydrophobicContact CB-CB 4.13Å; F162-M181 HydrophobicContact CB-CG 4.09Å; F162-M181 WeakPolarHBondContact O-CB 3.25Å; F162-M181 VanDerWaalsContact O-CG 3.25Å; F162-M181 WeakPolarHBondContact O-CG 3.38Å; F162-M181 PolarHBondContact O-N 3.23Å; L164-M181 HydrophobicContact CB-CE 3.88Å; M181-D183 VanDerWaalsContact C-N 3.28Å; M181-D183 PolarHBondContact O-N 3.44Å; M181-D183 VanDerWaalsContact O-N 3.16Å; M181-L184 HydrophobicContact CE-CD1 4.1Å; M181-L184 PolarHBondContact O-N 2.66Å; M181-L184 HydrophobicContact SD-CD1 4.21Å; M181-L184 HydrophobicContact SD-CD2 4.43Å; M181-T232 HydrophobicContact CE-CG2 3.75Å; M181-T232 HydrophobicContact CG-CG2 3.88Å; M181-T232 HydrophobicContact SD-CG2 4.11Å; M181-R233 WeakPolarHBondContact O-CD 3.44Å; M181-R233 PolarHBondContact O-NE 2.85Å; M181-R233 PolarHBondContact O-NH1 2.8Å; M181-R233 HydrophobicContact SD-CB 4.3Å; M181-Y236 HydrophobicContact CB-CD1 4.41Å; M181-Y236 HydrophobicContact CB-CD2 4.35Å; M181-Y236 HydrophobicContact CB-CG 3.98Å
182K91.5Very high93.9Very high106 Ų10654.4 Ų54.446%0.46128%0.282SS..G310 helixtrans-46.4-48.4-176179.6-173167-162.80113.6S180 R233 Y236S180-K182 PolarHBondContact O-N 3.06Å; S180-K182 WeakPolarHBondContact OG-CB 3.48Å; S180-K182 PolarHBondContact OG-N 3.47Å; K182-R233 PolarHBondContact O-NH1 3.26Å; K182-R233 PolarHBondContact O-NH2 2.9Å; K182-Y236 HydrophobicContact CB-CE1 4.45Å; K182-Y236 HydrophobicContact CB-CE2 4.48Å; K182-Y236 WeakPolarHBondContact CB-OH 3.37Å; K182-Y236 WeakPolarHBondContact CG-OH 3.46Å
183D86.9Confident94.3Very high68 Ų6853.5 Ų53.536%0.36428%0.275SS..G310 helixtrans-118.47.8-172.4-54.5-62.2000112.2M181 L204M181-D183 VanDerWaalsContact C-N 3.28Å; M181-D183 PolarHBondContact O-N 3.44Å; M181-D183 VanDerWaalsContact O-N 3.16Å; D183-L204 HydrophobicContact CB-CB 3.9Å
184L94.5Very high94.8Very high4 Ų446.9 Ų46.92%0.02127%0.266CS..  trans-75.8132.9-179.7-173.1154.8000110.5L164 I179 M181 I201 S202 I229L164-L184 HydrophobicContact CB-CD1 3.87Å; L164-L184 HydrophobicContact CD2-CD1 3.86Å; I179-L184 HydrophobicContact CG2-CB 4.47Å; I179-L184 HydrophobicContact CG2-CD1 3.85Å; I179-L184 HydrophobicContact CG2-CG 4.49Å; M181-L184 HydrophobicContact CE-CD1 4.1Å; M181-L184 PolarHBondContact O-N 2.66Å; M181-L184 HydrophobicContact SD-CD1 4.21Å; M181-L184 HydrophobicContact SD-CD2 4.43Å; L184-I201 HydrophobicContact CD1-CG2 4.17Å; L184-I201 HydrophobicContact CD2-CG2 4.33Å; L184-I201 HydrophobicContact CG-CG2 4.06Å; L184-S202 CarbonylContact C-O 3.58Å; L184-S202 WeakPolarHBondContact CA-O 3.45Å; L184-I229 HydrophobicContact CD2-CG2 3.49Å; L184-I229 VanDerWaalsContact CD2-CG2 3.49Å
185N94.5Very high95.1Very high21 Ų2142.8 Ų42.811%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-126.5154.3165.3-173.441.7000110.5I201 S202 T254 T255N185-I201 CarbonylContact O-C 3.59Å; N185-I201 WeakPolarHBondContact O-CA 3.33Å; N185-S202 PolarHBondContact N-O 3.25Å; N185-S202 PolarHBondContact O-N 3.23Å; N185-T254 WeakPolarHBondContact OD1-CA 3.09Å; N185-T255 PolarHBondContact ND2-O 3.03Å; N185-T255 PolarHBondContact ND2-OG1 3.07Å; N185-T255 VanDerWaalsContact ND2-OG1 3.16Å; N185-T255 PolarHBondContact OD1-N 3.31Å; N185-T255 PolarHBondContact OD1-OG1 3.3Å
186A96.2Very high95.2Very high0 Ų045.8 Ų45.80%026%0.256CS..EExtended strand (participates in β ladder)trans-140.1137173.700000110.2L199 Q200 I201 F226 I229 T254A186-L199 HydrophobicContact CB-CD1 4.39Å; A186-Q200 CarbonylContact C-O 3.56Å; A186-Q200 VanDerWaalsContact CA-O 3.31Å; A186-Q200 WeakPolarHBondContact CA-O 3.48Å; A186-I201 HydrophobicContact CB-CG1 4.44Å; A186-F226 HydrophobicContact CB-CD2 4.04Å; A186-F226 HydrophobicContact CB-CE2 4.15Å; A186-F226 WeakPolarHBondContact O-CE2 3.38Å; A186-I229 HydrophobicContact CB-CD1 3.93Å; A186-I229 HydrophobicContact CB-CG2 4.14Å; A186-T254 HydrophobicContact CB-CG2 4.44Å
187H94.6Very high95.3Very high34 Ų3441 Ų4116%0.15724%0.235CC..EExtended strand (participates in β ladder)trans-152.9141.3177.1-174.665.7000111.4Q189 Q200 H256H187-Q189 PolarHBondContact CD2-NE2 3.48Å; H187-Q200 PolarHBondContact N-O 3.32Å; H187-Q200 PolarHBondContact O-N 2.97Å; H187-H256 AromaticContact CE1-CE1 3.63Å; H187-H256 AromaticContact CE1-ND1 3.11Å; H187-H256 PolarHBondContact CE1-ND1 3.49Å; H187-H256 AromaticContact ND1-CE1 3.68Å; H187-H256 AromaticContact ND1-ND1 3.38Å; H187-H256 PolarHBondContact ND1-ND1 3.16Å
188F96.9Very high95.5Very high6 Ų640 Ų403%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-71132.4179.2-82.8-85.8000111C103 V105 L106 G198 L199 I222 V223 F226C103-F188 VanDerWaalsContact SG-CB 3.54Å; V105-F188 HydrophobicContact CG1-CD1 3.8Å; V105-F188 HydrophobicContact CG1-CE1 3.81Å; V105-F188 HydrophobicContact CG1-CG 4.48Å; V105-F188 HydrophobicContact CG1-CZ 4.48Å; L106-F188 HydrophobicContact CD1-CB 4.45Å; L106-F188 HydrophobicContact CD1-CD2 3.75Å; L106-F188 HydrophobicContact CD1-CE2 4.41Å; L106-F188 HydrophobicContact CD1-CG 4.35Å; L106-F188 HydrophobicContact CD2-CD2 3.79Å; L106-F188 HydrophobicContact CD2-CE2 3.57Å; L106-F188 HydrophobicContact CD2-CZ 4.44Å; L106-F188 HydrophobicContact CG-CD2 3.71Å; L106-F188 HydrophobicContact CG-CE2 3.94Å; L106-F188 HydrophobicContact CG-CG 4.32Å; F188-G198 WeakPolarHBondContact CA-O 3.31Å; F188-G198 WeakPolarHBondContact CD1-O 3.35Å; F188-L199 HydrophobicContact CD1-CB 4.47Å; F188-L199 HydrophobicContact CD1-CD1 4.31Å; F188-L199 HydrophobicContact CD2-CD1 3.92Å; F188-L199 HydrophobicContact CE1-CB 4.42Å; F188-L199 HydrophobicContact CE1-CD1 4.39Å; F188-L199 HydrophobicContact CE2-CD1 4.03Å; F188-L199 HydrophobicContact CG-CD1 4.08Å; F188-L199 HydrophobicContact CZ-CD1 4.26Å; F188-I222 HydrophobicContact CE1-CB 4.45Å; F188-I222 HydrophobicContact CE1-CG1 3.83Å; F188-I222 HydrophobicContact CE1-CG2 3.8Å; F188-I222 HydrophobicContact CZ-CG1 4.05Å; F188-I222 HydrophobicContact CZ-CG2 4.02Å; F188-V223 HydrophobicContact CE2-CG2 4.4Å; F188-V223 HydrophobicContact CZ-CG2 3.85Å; F188-F226 HydrophobicContact CD2-CD1 4.44Å; F188-F226 HydrophobicContact CD2-CG 4.42Å; F188-F226 HydrophobicContact CE2-CB 3.82Å; F188-F226 AromaticContact CE2-CD1 3.76Å; F188-F226 HydrophobicContact CE2-CD1 3.76Å; F188-F226 HydrophobicContact CE2-CD2 4.27Å; F188-F226 HydrophobicContact CE2-CE1 4.36Å; F188-F226 AromaticContact CE2-CG 3.69Å; F188-F226 HydrophobicContact CE2-CG 3.69Å; F188-F226 HydrophobicContact CZ-CB 4.17Å
189Q95.3Very high95.6Very high19 Ų1935.8 Ų35.89%0.08920%0.202CC..  trans-139.354.5-172.7-73.6-70.5-6.600111.4H187 Q191 K192 I193 G198 Q200 E260H187-Q189 PolarHBondContact CD2-NE2 3.48Å; Q189-Q191 PolarHBondContact O-N 3.43Å; Q189-K192 HydrophobicContact CB-CB 4.14Å; Q189-K192 HydrophobicContact CB-CD 4.49Å; Q189-K192 PolarHBondContact O-N 2.93Å; Q189-K192 VanDerWaalsContact OE1-CE 3.25Å; Q189-I193 HydrophobicContact CB-CD1 3.95Å; Q189-I193 HydrophobicContact CB-CG1 4.31Å; Q189-I193 WeakPolarHBondContact O-CB 3.38Å; Q189-I193 WeakPolarHBondContact O-CG1 3.5Å; Q189-I193 PolarHBondContact O-N 3.36Å; Q189-G198 PolarHBondContact N-O 2.83Å; Q189-Q200 HydrophobicContact CB-CB 4.22Å; Q189-Q200 HydrophobicContact CG-CB 3.83Å; Q189-E260 PolarHBondContact NE2-OE2 3.48Å; Q189-E260 PolarHBondContact OE1-OE2 3.47Å
190P96.4Very high95.6Very high15 Ų1536.6 Ų36.610%0.09721%0.206CC..Hα-helixtrans-66.4-40.2-167.124.4-31.8000113.4C103 G194 H195C103-P190 HydrophobicContact CB-CG 3.78Å; P190-G194 WeakPolarHBondContact O-CA 3.39Å; P190-G194 PolarHBondContact O-N 3.04Å; P190-H195 CarbonylContact C-O 3.58Å; P190-H195 WeakPolarHBondContact CA-O 3.47Å; P190-H195 WeakPolarHBondContact CB-O 3.38Å; P190-H195 PolarHBondContact O-N 3.08Å
191Q94.2Very high95.7Very high160 Ų16033.7 Ų33.775%0.74819%0.186SC*.Hα-helixtrans-65.9-43.7177.4-60.784-3.400111.3Q189 I193 G194Q189-Q191 PolarHBondContact O-N 3.43Å; Q191-I193 PolarHBondContact O-N 3.38Å; Q191-G194 PolarHBondContact O-N 2.81Å
192K93.6Very high95.6Very high26 Ų2634.8 Ų34.811%0.11319%0.193CC..Hα-helixtrans-62.4-43.1179.5-171.5-171.3-61.1174.80112.1Q189 F213 E260 P294 L295Q189-K192 HydrophobicContact CB-CB 4.14Å; Q189-K192 HydrophobicContact CB-CD 4.49Å; Q189-K192 PolarHBondContact O-N 2.93Å; Q189-K192 VanDerWaalsContact OE1-CE 3.25Å; K192-F213 HydrophobicContact CD-CE1 4.37Å; K192-E260 WeakPolarHBondContact CE-OE2 3.21Å; K192-E260 IonicContact NZ-OE1 2.94Å; K192-E260 PolarHBondContact NZ-OE1 3.3Å; K192-E260 IonicContact NZ-OE2 3.6Å; K192-E260 PolarHBondContact NZ-OE2 2.87Å; K192-P294 HydrophobicContact CD-CB 4.08Å; K192-P294 HydrophobicContact CG-CB 3.75Å; K192-L295 HydrophobicContact CD-CD2 4.45Å; K192-L295 HydrophobicContact CG-CD2 4.07Å
193I96.1Very high95.7Very high14 Ų1430.4 Ų30.47%0.07217%0.174CC..Hα-helixtrans-80.7-22.1-177.4-66.7168.3000111.2F150 Q189 Q191 H195 G198 F213 L295F150-I193 HydrophobicContact CE1-CG2 4.39Å; F150-I193 HydrophobicContact CZ-CG2 4.03Å; Q189-I193 HydrophobicContact CB-CD1 3.95Å; Q189-I193 HydrophobicContact CB-CG1 4.31Å; Q189-I193 WeakPolarHBondContact O-CB 3.38Å; Q189-I193 WeakPolarHBondContact O-CG1 3.5Å; Q189-I193 PolarHBondContact O-N 3.36Å; Q191-I193 PolarHBondContact O-N 3.38Å; I193-H195 HydrophobicContact CG2-CB 4.18Å; I193-G198 VanDerWaalsContact CD1-C 3.44Å; I193-F213 HydrophobicContact CD1-CB 4.29Å; I193-F213 HydrophobicContact CD1-CD1 4.01Å; I193-F213 HydrophobicContact CG1-CB 4.29Å; I193-F213 HydrophobicContact CG1-CD1 3.86Å; I193-F213 HydrophobicContact CG1-CG 4.48Å; I193-L295 HydrophobicContact CG1-CD2 4.09Å
194G96.4Very high95.8Very high69 Ų6930.2 Ų30.271%0.71117%0.172SC*.THydrogen-bonded Turntrans75.228.8-17500000112.7P190 Q191P190-G194 WeakPolarHBondContact O-CA 3.39Å; P190-G194 PolarHBondContact O-N 3.04Å; Q191-G194 PolarHBondContact O-N 2.81Å
195H98.1Very high95.6Very high32 Ų3232.6 Ų32.615%0.14818%0.183CC..SBendtrans-144.7133.7179.2-169.1-83.7000110.2P190 I193 H197 G198 Y215 E217P190-H195 CarbonylContact C-O 3.58Å; P190-H195 WeakPolarHBondContact CA-O 3.47Å; P190-H195 WeakPolarHBondContact CB-O 3.38Å; P190-H195 PolarHBondContact O-N 3.08Å; I193-H195 HydrophobicContact CG2-CB 4.18Å; H195-H197 AromaticContact CE1-CG 3.92Å; H195-H197 AromaticContact CE1-ND1 3.83Å; H195-H197 WeakPolarHBondContact ND1-CB 3.31Å; H195-H197 PolarHBondContact ND1-N 3.3Å; H195-H197 PolarHBondContact O-N 3.33Å; H195-G198 PolarHBondContact O-N 3.12Å; H195-Y215 HydrophobicContact CB-CG 4.39Å; H195-Y215 AromaticContact CD2-CD2 3.68Å; H195-Y215 AromaticContact CD2-CE2 3.79Å; H195-Y215 AromaticContact CE1-CD2 3.38Å; H195-Y215 WeakPolarHBondContact CE1-CD2 3.46Å; H195-Y215 AromaticContact CG-CD2 3.8Å; H195-Y215 AromaticContact CG-CG 3.77Å; H195-Y215 AromaticContact ND1-CD2 3.59Å; H195-Y215 AromaticContact ND1-CG 3.72Å; H195-Y215 AromaticContact NE2-CD2 3.43Å; H195-Y215 WeakPolarHBondContact NE2-CD2 3.37Å; H195-Y215 AromaticContact NE2-CE2 3.58Å; H195-E217 IonicContact NE2-OE2 3.71Å
196P97.9Very high95.1Very high85 Ų8538 Ų3855%0.55221%0.212SC*.THydrogen-bonded Turntrans-58.4-24.4-175.923.1-35000113.9
197H98.6Very high94.4Very high29 Ų2944.1 Ų44.113%0.13424%0.241CC..THydrogen-bonded Turntrans-107.620.1-179.9-54.3156.8000113.1V105 H195 L199 Y215 H216 E217 G219 I222V105-H197 VanDerWaalsContact CG2-CD2 3.48Å; V105-H197 WeakPolarHBondContact CG2-CD2 3.44Å; H195-H197 AromaticContact CE1-CG 3.92Å; H195-H197 AromaticContact CE1-ND1 3.83Å; H195-H197 WeakPolarHBondContact ND1-CB 3.31Å; H195-H197 PolarHBondContact ND1-N 3.3Å; H195-H197 PolarHBondContact O-N 3.33Å; H197-L199 PolarHBondContact O-N 2.83Å; H197-Y215 WeakPolarHBondContact O-CB 3.48Å; H197-H216 WeakPolarHBondContact CB-O 3.37Å; H197-H216 PolarHBondContact ND1-O 3.14Å; H197-E217 PolarHBondContact CE1-O 3.03Å; H197-E217 PolarHBondContact ND1-O 3.38Å; H197-E217 VanDerWaalsContact ND1-O 3.09Å; H197-G219 PolarHBondContact CE1-N 2.98Å; H197-I222 HydrophobicContact CB-CG2 3.85Å
198G98.4Very high93.9Very high0 Ų049.5 Ų49.50%026%0.26CS..  trans-65.9124.7-179.500000112.1F188 Q189 I193 H195F188-G198 WeakPolarHBondContact CA-O 3.31Å; F188-G198 WeakPolarHBondContact CD1-O 3.35Å; Q189-G198 PolarHBondContact N-O 2.83Å; I193-G198 VanDerWaalsContact CD1-C 3.44Å; H195-G198 PolarHBondContact O-N 3.12Å
199L98.4Very high93.6Very high0 Ų050.3 Ų50.30%027%0.265CS..EExtended strand (participates in β ladder)trans-119.2129.2174.8-178.473.6000109.5A186 F188 H197 I201 V214 I222 F225 F226A186-L199 HydrophobicContact CB-CD1 4.39Å; F188-L199 HydrophobicContact CD1-CB 4.47Å; F188-L199 HydrophobicContact CD1-CD1 4.31Å; F188-L199 HydrophobicContact CD2-CD1 3.92Å; F188-L199 HydrophobicContact CE1-CB 4.42Å; F188-L199 HydrophobicContact CE1-CD1 4.39Å; F188-L199 HydrophobicContact CE2-CD1 4.03Å; F188-L199 HydrophobicContact CG-CD1 4.08Å; F188-L199 HydrophobicContact CZ-CD1 4.26Å; H197-L199 PolarHBondContact O-N 2.83Å; L199-I201 HydrophobicContact CD2-CG1 4.25Å; L199-I201 HydrophobicContact CG-CG1 4.4Å; L199-V214 HydrophobicContact CB-CG2 3.92Å; L199-V214 HydrophobicContact CD2-CG2 4.14Å; L199-V214 HydrophobicContact CG-CG2 4.35Å; L199-V214 PolarHBondContact N-O 2.81Å; L199-V214 PolarHBondContact O-N 3.44Å; L199-I222 HydrophobicContact CB-CD1 4.04Å; L199-I222 HydrophobicContact CB-CG1 4.14Å; L199-I222 HydrophobicContact CD2-CD1 4.04Å; L199-I222 HydrophobicContact CD2-CG1 4.46Å; L199-F225 HydrophobicContact CD2-CD1 4.01Å; L199-F225 HydrophobicContact CD2-CE1 4.31Å; L199-F226 HydrophobicContact CD1-CD2 3.99Å
200Q97.5Very high93.6Very high20 Ų2050.3 Ų50.39%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-97.1129.2169.9-178.5175.9-11.800109A186 H187 Q189 N211 L212 F213A186-Q200 CarbonylContact C-O 3.56Å; A186-Q200 VanDerWaalsContact CA-O 3.31Å; A186-Q200 WeakPolarHBondContact CA-O 3.48Å; H187-Q200 PolarHBondContact N-O 3.32Å; H187-Q200 PolarHBondContact O-N 2.97Å; Q189-Q200 HydrophobicContact CB-CB 4.22Å; Q189-Q200 HydrophobicContact CG-CB 3.83Å; Q200-N211 PolarHBondContact NE2-OD1 2.89Å; Q200-L212 WeakPolarHBondContact CA-O 3.34Å; Q200-F213 HydrophobicContact CB-CD1 4.23Å; Q200-F213 HydrophobicContact CB-CE1 4.28Å; Q200-F213 HydrophobicContact CG-CD1 4.1Å; Q200-F213 HydrophobicContact CG-CE1 3.77Å
201I97.4Very high93.5Very high0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-113.9126.1171.7-53.7167.2000106.8L164 L184 N185 A186 L199 N211 L212 V214 F225 I229L164-I201 HydrophobicContact CD2-CD1 4.17Å; L164-I201 HydrophobicContact CD2-CG2 4.34Å; L184-I201 HydrophobicContact CD1-CG2 4.17Å; L184-I201 HydrophobicContact CD2-CG2 4.33Å; L184-I201 HydrophobicContact CG-CG2 4.06Å; N185-I201 CarbonylContact O-C 3.59Å; N185-I201 WeakPolarHBondContact O-CA 3.33Å; A186-I201 HydrophobicContact CB-CG1 4.44Å; L199-I201 HydrophobicContact CD2-CG1 4.25Å; L199-I201 HydrophobicContact CG-CG1 4.4Å; I201-N211 CarbonylContact O-C 3.6Å; I201-L212 HydrophobicContact CB-CB 4.26Å; I201-L212 PolarHBondContact N-O 3.1Å; I201-L212 PolarHBondContact O-N 2.91Å; I201-V214 HydrophobicContact CD1-CG2 4.05Å; I201-F225 HydrophobicContact CD1-CE1 3.86Å; I201-F225 HydrophobicContact CD1-CZ 4.42Å; I201-I229 HydrophobicContact CD1-CD1 4.27Å; I201-I229 HydrophobicContact CG1-CD1 4.42Å
202S94.4Very high93.7Very high22 Ų2242.6 Ų42.615%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-121.2146.6177.257.70000111.1L184 N185 R210 N211L184-S202 CarbonylContact C-O 3.58Å; L184-S202 WeakPolarHBondContact CA-O 3.45Å; N185-S202 PolarHBondContact N-O 3.25Å; N185-S202 PolarHBondContact O-N 3.23Å; S202-R210 VanDerWaalsContact CA-O 3.26Å; S202-R210 WeakPolarHBondContact CA-O 3.31Å; S202-N211 WeakPolarHBondContact CB-OD1 3.38Å
203Y93.5Very high93.9Very high15 Ų1541.5 Ų41.56%0.05922%0.223CC..EExtended strand (participates in β ladder)trans-155.3167.1176.562.9-82.9000110.4I179 E205 T209 R210 L212I179-Y203 HydrophobicContact CD1-CD1 3.9Å; I179-Y203 HydrophobicContact CD1-CE1 3.51Å; I179-Y203 HydrophobicContact CG1-CD1 4.2Å; I179-Y203 HydrophobicContact CG1-CD2 4.28Å; I179-Y203 HydrophobicContact CG1-CE1 3.91Å; I179-Y203 HydrophobicContact CG1-CE2 3.99Å; I179-Y203 HydrophobicContact CG1-CG 4.36Å; I179-Y203 HydrophobicContact CG2-CD1 3.78Å; I179-Y203 HydrophobicContact CG2-CD2 3.73Å; I179-Y203 HydrophobicContact CG2-CE1 4.35Å; I179-Y203 HydrophobicContact CG2-CE2 4.32Å; I179-Y203 HydrophobicContact CG2-CG 3.41Å; I179-Y203 VanDerWaalsContact CG2-CG 3.41Å; Y203-E205 HydrophobicContact CD2-CB 4.36Å; Y203-E205 HydrophobicContact CE2-CB 3.93Å; Y203-T209 CarbonylContact O-C 3.6Å; Y203-T209 WeakPolarHBondContact O-CA 3.31Å; Y203-R210 HydrophobicContact CD1-CB 4.23Å; Y203-R210 HydrophobicContact CD1-CG 4.42Å; Y203-R210 HydrophobicContact CD2-CB 4.27Å; Y203-R210 HydrophobicContact CE1-CB 3.87Å; Y203-R210 HydrophobicContact CE1-CG 3.6Å; Y203-R210 HydrophobicContact CE2-CB 3.92Å; Y203-R210 HydrophobicContact CE2-CG 4.05Å; Y203-R210 HydrophobicContact CG-CB 4.44Å; Y203-R210 PolarHBondContact N-O 3.44Å; Y203-R210 PolarHBondContact O-N 3.41Å; Y203-R210 WeakPolarHBondContact OH-CG 3.47Å; Y203-L212 HydrophobicContact CE1-CD1 4.15Å; Y203-L212 HydrophobicContact CE1-CD2 4.22Å; Y203-L212 HydrophobicContact CE1-CG 3.96Å
204L89.6Confident94Very high63 Ų6340.9 Ų40.933%0.3322%0.22SC..EExtended strand (participates in β ladder)trans-84.7124.8176.5-163.368.3000110.8D183D183-L204 HydrophobicContact CB-CB 3.9Å
205E88.9Confident94.1Very high54 Ų5439 Ų3925%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-132116.5173.7-173.8179.8-123.500107.6Y203 E207 R208 R210 M298Y203-E205 HydrophobicContact CD2-CB 4.36Å; Y203-E205 HydrophobicContact CE2-CB 3.93Å; E205-E207 PolarHBondContact O-N 3.27Å; E205-R208 PolarHBondContact N-O 2.8Å; E205-R208 PolarHBondContact O-N 3.09Å; E205-R210 HydrophobicContact CB-CB 3.81Å; E205-R210 HydrophobicContact CB-CG 4.5Å; E205-R210 IonicContact OE1-NH1 3.28Å; E205-R210 PolarHBondContact OE1-NH1 2.85Å; E205-R210 WeakPolarHBondContact OE2-CD 3.41Å; E205-R210 IonicContact OE2-CZ 2.73Å; E205-R210 IonicContact OE2-NE 2.86Å; E205-R210 IonicContact OE2-NH1 3.48Å; E205-R210 PolarHBondContact OE2-NH1 3.47Å; E205-M298 HydrophobicContact CB-CE 4.2Å; E205-M298 HydrophobicContact CG-CE 4.23Å; E205-M298 WeakPolarHBondContact OE2-CE 3.36Å
206D84.6Confident94.2Very high134 Ų13439.7 Ų39.772%0.71719%0.194SC*.THydrogen-bonded Turntrans49.351.7-177.5-53.9-36000113.4R208D206-R208 PolarHBondContact O-N 3.48Å
207E80.6Confident94.2Very high129 Ų12941 Ų4160%0.60319%0.193SC*.THydrogen-bonded Turntrans62.58.2-178.3-58.1-58.8139.500115.6E205 T375E205-E207 PolarHBondContact O-N 3.27Å; E207-T375 WeakPolarHBondContact OE2-CG2 3.5Å
208R85.9Confident94.2Very high147 Ų14743.1 Ų43.156%0.55521%0.205SC*.EExtended strand (participates in β ladder)trans-118.6148.1176.5-74.1-176.1-84.9-165.5-8.2111.5E205 D206 R210 M298E205-R208 PolarHBondContact N-O 2.8Å; E205-R208 PolarHBondContact O-N 3.09Å; D206-R208 PolarHBondContact O-N 3.48Å; R208-R210 PolarHBondContact O-N 3.48Å; R208-M298 HydrophobicContact CB-SD 4.5Å
209T90.2Very high94.2Very high24 Ų2443.3 Ų43.315%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-71.2123.6173.8-36.50000109.5Y203 L289 D299Y203-T209 CarbonylContact O-C 3.6Å; Y203-T209 WeakPolarHBondContact O-CA 3.31Å; T209-L289 HydrophobicContact CG2-CD1 4.39Å; T209-D299 WeakPolarHBondContact CB-OD2 3.47Å; T209-D299 PolarHBondContact O-N 3.32Å; T209-D299 PolarHBondContact OG1-OD2 3.5Å
210R93.9Very high94.1Very high18 Ų1846.6 Ų46.67%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-99126.2169.7-17861.7-174.9-95.4-1.2109.8S202 Y203 E205 R208 A297 M298S202-R210 VanDerWaalsContact CA-O 3.26Å; S202-R210 WeakPolarHBondContact CA-O 3.31Å; Y203-R210 HydrophobicContact CD1-CB 4.23Å; Y203-R210 HydrophobicContact CD1-CG 4.42Å; Y203-R210 HydrophobicContact CD2-CB 4.27Å; Y203-R210 HydrophobicContact CE1-CB 3.87Å; Y203-R210 HydrophobicContact CE1-CG 3.6Å; Y203-R210 HydrophobicContact CE2-CB 3.92Å; Y203-R210 HydrophobicContact CE2-CG 4.05Å; Y203-R210 HydrophobicContact CG-CB 4.44Å; Y203-R210 PolarHBondContact N-O 3.44Å; Y203-R210 PolarHBondContact O-N 3.41Å; Y203-R210 WeakPolarHBondContact OH-CG 3.47Å; E205-R210 HydrophobicContact CB-CB 3.81Å; E205-R210 HydrophobicContact CB-CG 4.5Å; E205-R210 IonicContact OE1-NH1 3.28Å; E205-R210 PolarHBondContact OE1-NH1 2.85Å; E205-R210 WeakPolarHBondContact OE2-CD 3.41Å; E205-R210 IonicContact OE2-CZ 2.73Å; E205-R210 IonicContact OE2-NE 2.86Å; E205-R210 IonicContact OE2-NH1 3.48Å; E205-R210 PolarHBondContact OE2-NH1 3.47Å; R208-R210 PolarHBondContact O-N 3.48Å; R210-A297 CarbonylContact C-O 3.55Å; R210-A297 WeakPolarHBondContact CA-O 3.13Å; R210-A297 VanDerWaalsContact CD-O 3.28Å; R210-A297 WeakPolarHBondContact CD-O 3.34Å; R210-M298 HydrophobicContact CB-SD 3.82Å; R210-M298 WeakPolarHBondContact CD-SD 3Å; R210-M298 HydrophobicContact CG-SD 4.24Å
211N95.5Very high94.1Very high12 Ų1247.7 Ų47.76%0.06423%0.231CC..EExtended strand (participates in β ladder)trans-103.9130.7177.7-62.9-55000111.1Q200 I201 S202 F213 A297Q200-N211 PolarHBondContact NE2-OD1 2.89Å; I201-N211 CarbonylContact O-C 3.6Å; S202-N211 WeakPolarHBondContact CB-OD1 3.38Å; N211-F213 HydrophobicContact CB-CE1 4.47Å; N211-F213 HydrophobicContact CB-CE2 3.79Å; N211-F213 HydrophobicContact CB-CZ 3.67Å; N211-A297 PolarHBondContact N-O 2.99Å
212L97.6Very high94.2Very high2 Ų247.7 Ų47.71%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-110.4133.5164.2-48.3-174.8000108.5F155 Y166 I179 Q200 I201 Y203F155-L212 HydrophobicContact CE1-CD1 4.31Å; Y166-L212 HydrophobicContact CD1-CD1 4.44Å; Y166-L212 HydrophobicContact CE1-CD1 4.39Å; I179-L212 HydrophobicContact CD1-CD1 3.83Å; Q200-L212 WeakPolarHBondContact CA-O 3.34Å; I201-L212 HydrophobicContact CB-CB 4.26Å; I201-L212 PolarHBondContact N-O 3.1Å; I201-L212 PolarHBondContact O-N 2.91Å; Y203-L212 HydrophobicContact CE1-CD1 4.15Å; Y203-L212 HydrophobicContact CE1-CD2 4.22Å; Y203-L212 HydrophobicContact CE1-CG 3.96Å
213F98.3Very high94.4Very high3 Ų347 Ų471%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-111.5119.6173.9-54.9-79.6000107.7K143 F150 K192 I193 Q200 N211 P294 L295K143-F213 HydrophobicContact CB-CB 4.05Å; K143-F213 HydrophobicContact CD-CB 4.48Å; K143-F213 HydrophobicContact CD-CD2 4.14Å; K143-F213 PolarHBondContact N-O 3.31Å; F150-F213 HydrophobicContact CE1-CB 4.46Å; K192-F213 HydrophobicContact CD-CE1 4.37Å; I193-F213 HydrophobicContact CD1-CB 4.29Å; I193-F213 HydrophobicContact CD1-CD1 4.01Å; I193-F213 HydrophobicContact CG1-CB 4.29Å; I193-F213 HydrophobicContact CG1-CD1 3.86Å; I193-F213 HydrophobicContact CG1-CG 4.48Å; Q200-F213 HydrophobicContact CB-CD1 4.23Å; Q200-F213 HydrophobicContact CB-CE1 4.28Å; Q200-F213 HydrophobicContact CG-CD1 4.1Å; Q200-F213 HydrophobicContact CG-CE1 3.77Å; N211-F213 HydrophobicContact CB-CE1 4.47Å; N211-F213 HydrophobicContact CB-CE2 3.79Å; N211-F213 HydrophobicContact CB-CZ 3.67Å; F213-P294 WeakPolarHBondContact CZ-O 3.39Å; F213-L295 HydrophobicContact CD1-CD2 3.58Å; F213-L295 HydrophobicContact CD2-CB 4.48Å; F213-L295 HydrophobicContact CD2-CD2 4.2Å; F213-L295 HydrophobicContact CE1-CD2 3.63Å; F213-L295 VanDerWaalsContact CE2-C 3.46Å; F213-L295 HydrophobicContact CE2-CB 4.24Å; F213-L295 HydrophobicContact CE2-CD2 4.25Å; F213-L295 WeakPolarHBondContact CE2-O 3.4Å; F213-L295 HydrophobicContact CG-CD2 3.86Å; F213-L295 HydrophobicContact CZ-CB 4.46Å; F213-L295 HydrophobicContact CZ-CD2 3.98Å
214V98.6Very high94.5Very high0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-131.5158.4-176.8-58.20000111L140 W141 K142 F155 L199 I201 I222L140-V214 HydrophobicContact CB-CB 4.39Å; L140-V214 HydrophobicContact CD1-CB 4.3Å; L140-V214 HydrophobicContact CD1-CG2 4.07Å; W141-V214 CarbonylContact O-C 3.57Å; W141-V214 WeakPolarHBondContact O-CA 3.37Å; K142-V214 HydrophobicContact CB-CG1 3.98Å; K142-V214 HydrophobicContact CG-CG1 3.88Å; F155-V214 HydrophobicContact CE1-CG1 4.44Å; F155-V214 HydrophobicContact CE2-CG1 4.15Å; F155-V214 HydrophobicContact CZ-CG1 3.66Å; L199-V214 HydrophobicContact CB-CG2 3.92Å; L199-V214 HydrophobicContact CD2-CG2 4.14Å; L199-V214 HydrophobicContact CG-CG2 4.35Å; L199-V214 PolarHBondContact N-O 2.81Å; L199-V214 PolarHBondContact O-N 3.44Å; I201-V214 HydrophobicContact CD1-CG2 4.05Å; V214-I222 HydrophobicContact CG2-CD1 4.32Å
215Y98.8Very high95Very high31 Ų3144.3 Ų44.312%0.12222%0.215CC..EExtended strand (participates in β ladder)trans-151.8171.1167.572.2-93.4000110.4W141 F150 H195 H197 E217W141-Y215 HydrophobicContact CB-CD1 3.76Å; W141-Y215 HydrophobicContact CB-CD2 4.09Å; W141-Y215 HydrophobicContact CB-CE1 3.41Å; W141-Y215 VanDerWaalsContact CB-CE1 3.41Å; W141-Y215 HydrophobicContact CB-CE2 3.75Å; W141-Y215 HydrophobicContact CB-CG 4.08Å; W141-Y215 AromaticContact CD1-CE2 3.39Å; W141-Y215 AromaticContact CD1-CZ 3.7Å; W141-Y215 HydrophobicContact CG-CD2 4.36Å; W141-Y215 HydrophobicContact CG-CE1 4.05Å; W141-Y215 AromaticContact CG-CE2 3.68Å; W141-Y215 HydrophobicContact CG-CE2 3.68Å; W141-Y215 AromaticContact CG-CZ 3.5Å; W141-Y215 VanDerWaalsContact CG-CZ 3.5Å; W141-Y215 PolarHBondContact N-O 2.89Å; W141-Y215 PolarHBondContact O-N 2.83Å; F150-Y215 HydrophobicContact CB-CE1 3.94Å; F150-Y215 AromaticContact CD1-CD1 3.56Å; F150-Y215 HydrophobicContact CD1-CD1 3.56Å; F150-Y215 AromaticContact CD1-CE1 3.4Å; F150-Y215 HydrophobicContact CD1-CE1 3.4Å; F150-Y215 VanDerWaalsContact CD1-CE1 3.4Å; F150-Y215 HydrophobicContact CD2-CE1 4.39Å; F150-Y215 AromaticContact CE1-CD1 3.69Å; F150-Y215 HydrophobicContact CE1-CD1 3.69Å; F150-Y215 AromaticContact CE1-CE1 3.93Å; F150-Y215 HydrophobicContact CE1-CE1 3.93Å; F150-Y215 HydrophobicContact CG-CD1 4.29Å; F150-Y215 AromaticContact CG-CE1 3.67Å; F150-Y215 HydrophobicContact CG-CE1 3.67Å; H195-Y215 HydrophobicContact CB-CG 4.39Å; H195-Y215 AromaticContact CD2-CD2 3.68Å; H195-Y215 AromaticContact CD2-CE2 3.79Å; H195-Y215 AromaticContact CE1-CD2 3.38Å; H195-Y215 WeakPolarHBondContact CE1-CD2 3.46Å; H195-Y215 AromaticContact CG-CD2 3.8Å; H195-Y215 AromaticContact CG-CG 3.77Å; H195-Y215 AromaticContact ND1-CD2 3.59Å; H195-Y215 AromaticContact ND1-CG 3.72Å; H195-Y215 AromaticContact NE2-CD2 3.43Å; H195-Y215 WeakPolarHBondContact NE2-CD2 3.37Å; H195-Y215 AromaticContact NE2-CE2 3.58Å; H197-Y215 WeakPolarHBondContact O-CB 3.48Å; Y215-E217 WeakPolarHBondContact CE2-OE1 3.08Å
216H98.8Very high95.4Very high45 Ų4541.9 Ų41.921%0.20820%0.203CC..  trans-134.5151165.9-168-94.2000109.5T139 L140 H197 N218 V221 I222T139-H216 PolarHBondContact O-CD2 3.01Å; T139-H216 VanDerWaalsContact O-CD2 3.28Å; L140-H216 HydrophobicContact CD2-CB 3.9Å; H197-H216 WeakPolarHBondContact CB-O 3.37Å; H197-H216 PolarHBondContact ND1-O 3.14Å; H216-N218 VanDerWaalsContact C-N 3.32Å; H216-N218 WeakPolarHBondContact ND1-CA 3.31Å; H216-N218 WeakPolarHBondContact ND1-CB 3.34Å; H216-N218 PolarHBondContact ND1-N 2.88Å; H216-N218 PolarHBondContact ND1-O 3.22Å; H216-N218 VanDerWaalsContact ND1-O 3.17Å; H216-V221 HydrophobicContact CB-CB 4.41Å; H216-V221 HydrophobicContact CB-CG1 4.29Å; H216-V221 WeakPolarHBondContact ND1-CB 3.43Å; H216-I222 HydrophobicContact CB-CB 4.11Å
217E98.3Very high96Very high112 Ų11235.6 Ų35.652%0.52317%0.17SC..SBendtrans-67.8-35.9178.9-59.6-62.1166.700111.4H195 H197 Y215H195-E217 IonicContact NE2-OE2 3.71Å; H197-E217 PolarHBondContact CE1-O 3.03Å; H197-E217 PolarHBondContact ND1-O 3.38Å; H197-E217 VanDerWaalsContact ND1-O 3.09Å; Y215-E217 WeakPolarHBondContact CE2-OE1 3.08Å
218N98.4Very high96.8Very high74 Ų7429.6 Ų29.640%0.39614%0.142SC..SBendtrans-88.1122173.1-174-28.7000111.2H216 Q220 V221 I222H216-N218 VanDerWaalsContact C-N 3.32Å; H216-N218 WeakPolarHBondContact ND1-CA 3.31Å; H216-N218 WeakPolarHBondContact ND1-CB 3.34Å; H216-N218 PolarHBondContact ND1-N 2.88Å; H216-N218 PolarHBondContact ND1-O 3.22Å; H216-N218 VanDerWaalsContact ND1-O 3.17Å; N218-Q220 PolarHBondContact O-N 3.19Å; N218-Q220 VanDerWaalsContact OD1-CB 3.31Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.39Å; N218-Q220 PolarHBondContact OD1-N 2.84Å; N218-V221 HydrophobicContact CB-CB 4.4Å; N218-V221 HydrophobicContact CB-CG2 3.99Å; N218-V221 PolarHBondContact O-N 2.75Å; N218-I222 PolarHBondContact O-N 3.49Å
219G98.1Very high97.3Very high5 Ų522.6 Ų22.65%0.05212%0.116CC..Hα-helixtrans-62.3-35.8178.600000114.1H197 V221 I222 V223H197-G219 PolarHBondContact CE1-N 2.98Å; G219-V221 PolarHBondContact O-N 2.95Å; G219-I222 VanDerWaalsContact O-CG2 3.23Å; G219-I222 WeakPolarHBondContact O-CG2 3.48Å; G219-I222 PolarHBondContact O-N 3.26Å; G219-V223 WeakPolarHBondContact O-CB 3.42Å; G219-V223 WeakPolarHBondContact O-CG2 3.23Å; G219-V223 PolarHBondContact O-N 3.26Å; G219-V223 VanDerWaalsContact O-N 3.09Å
220Q97.5Very high97.6Very high69 Ų6921.9 Ų21.932%0.32211%0.11SC..Hα-helixtrans-62-45.1176.6-172.9-178-1.800110.7N218 I222 V223 S224N218-Q220 PolarHBondContact O-N 3.19Å; N218-Q220 VanDerWaalsContact OD1-CB 3.31Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.39Å; N218-Q220 PolarHBondContact OD1-N 2.84Å; Q220-I222 PolarHBondContact O-N 2.81Å; Q220-V223 PolarHBondContact O-N 2.88Å; Q220-S224 WeakPolarHBondContact O-CB 3.39Å; Q220-S224 PolarHBondContact O-N 3.48Å; Q220-S224 PolarHBondContact O-OG 3.18Å
221V98.1Very high97.7Very high43 Ų4321.2 Ų21.226%0.26111%0.109SC..Hα-helixtrans-61.8-45.3-178.6174.80000111.5H216 N218 G219 V223 S224 F225H216-V221 HydrophobicContact CB-CB 4.41Å; H216-V221 HydrophobicContact CB-CG1 4.29Å; H216-V221 WeakPolarHBondContact ND1-CB 3.43Å; N218-V221 HydrophobicContact CB-CB 4.4Å; N218-V221 HydrophobicContact CB-CG2 3.99Å; N218-V221 PolarHBondContact O-N 2.75Å; G219-V221 PolarHBondContact O-N 2.95Å; V221-V223 VanDerWaalsContact C-N 3.35Å; V221-V223 PolarHBondContact O-N 3.27Å; V221-S224 PolarHBondContact O-N 3.3Å; V221-F225 WeakPolarHBondContact O-CB 3.11Å; V221-F225 PolarHBondContact O-N 3.44Å
222I98.7Very high97.7Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-68.4-35.2179.5-165.266.2000112.1V105 L140 F188 H197 L199 V214 H216 N218 G219 Q220 F225 F226V105-I222 HydrophobicContact CG2-CG2 4.28Å; L140-I222 HydrophobicContact CD1-CD1 4.31Å; L140-I222 HydrophobicContact CD2-CD1 3.97Å; F188-I222 HydrophobicContact CE1-CB 4.45Å; F188-I222 HydrophobicContact CE1-CG1 3.83Å; F188-I222 HydrophobicContact CE1-CG2 3.8Å; F188-I222 HydrophobicContact CZ-CG1 4.05Å; F188-I222 HydrophobicContact CZ-CG2 4.02Å; H197-I222 HydrophobicContact CB-CG2 3.85Å; L199-I222 HydrophobicContact CB-CD1 4.04Å; L199-I222 HydrophobicContact CB-CG1 4.14Å; L199-I222 HydrophobicContact CD2-CD1 4.04Å; L199-I222 HydrophobicContact CD2-CG1 4.46Å; V214-I222 HydrophobicContact CG2-CD1 4.32Å; H216-I222 HydrophobicContact CB-CB 4.11Å; N218-I222 PolarHBondContact O-N 3.49Å; G219-I222 VanDerWaalsContact O-CG2 3.23Å; G219-I222 WeakPolarHBondContact O-CG2 3.48Å; G219-I222 PolarHBondContact O-N 3.26Å; Q220-I222 PolarHBondContact O-N 2.81Å; I222-F225 PolarHBondContact O-N 3.4Å; I222-F226 WeakPolarHBondContact O-CB 3.31Å; I222-F226 PolarHBondContact O-N 3.16Å
223V98.3Very high97.6Very high7 Ų722 Ų224%0.04211%0.111CC..Hα-helixtrans-72.6-36.8177.6172.30000110.7V105 L106 Q109 F188 G219 Q220 V221 F226 T227V105-V223 HydrophobicContact CG2-CG2 3.93Å; L106-V223 HydrophobicContact CD2-CG2 4.38Å; Q109-V223 HydrophobicContact CB-CB 4.09Å; Q109-V223 HydrophobicContact CB-CG1 3.97Å; Q109-V223 HydrophobicContact CB-CG2 3.94Å; Q109-V223 HydrophobicContact CG-CB 4.16Å; Q109-V223 HydrophobicContact CG-CG2 3.83Å; F188-V223 HydrophobicContact CE2-CG2 4.4Å; F188-V223 HydrophobicContact CZ-CG2 3.85Å; G219-V223 WeakPolarHBondContact O-CB 3.42Å; G219-V223 WeakPolarHBondContact O-CG2 3.23Å; G219-V223 PolarHBondContact O-N 3.26Å; G219-V223 VanDerWaalsContact O-N 3.09Å; Q220-V223 PolarHBondContact O-N 2.88Å; V221-V223 VanDerWaalsContact C-N 3.35Å; V221-V223 PolarHBondContact O-N 3.27Å; V223-F226 PolarHBondContact O-N 2.81Å; V223-T227 WeakPolarHBondContact O-CB 3.39Å; V223-T227 PolarHBondContact O-N 3.38Å; V223-T227 PolarHBondContact O-OG1 2.8Å
224S96.9Very high97.4Very high22 Ų2222.2 Ų22.215%0.15411%0.112CC..Hα-helixtrans-62.1-45.5170.8-64.20000111Y131 Q220 V221 F226 T227 A228Y131-S224 WeakPolarHBondContact CE1-O 3.42Å; Y131-S224 VanDerWaalsContact OH-CA 3.3Å; Y131-S224 WeakPolarHBondContact OH-CA 3.22Å; Y131-S224 VanDerWaalsContact OH-CB 3.22Å; Y131-S224 WeakPolarHBondContact OH-CB 3.3Å; Y131-S224 PolarHBondContact OH-OG 3.47Å; Q220-S224 WeakPolarHBondContact O-CB 3.39Å; Q220-S224 PolarHBondContact O-N 3.48Å; Q220-S224 PolarHBondContact O-OG 3.18Å; V221-S224 PolarHBondContact O-N 3.3Å; S224-F226 PolarHBondContact O-N 3.07Å; S224-T227 CarbonylContact O-C 3.48Å; S224-T227 WeakPolarHBondContact O-CB 3.48Å; S224-T227 PolarHBondContact O-N 3.11Å; S224-T227 VanDerWaalsContact O-N 3.16Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 3.01Å
225F98.1Very high97.2Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-61-43175.5-178.3-104.9000112.4F136 L140 F155 L157 L164 L199 I201 V221 I222 T227 A228 I229F136-F225 HydrophobicContact CD1-CD2 4.28Å; F136-F225 HydrophobicContact CE1-CB 4.29Å; F136-F225 AromaticContact CE1-CD2 4Å; F136-F225 HydrophobicContact CE1-CD2 4Å; L140-F225 HydrophobicContact CD1-CD1 3.54Å; L140-F225 HydrophobicContact CD1-CD2 4.24Å; L140-F225 HydrophobicContact CD1-CE1 3.52Å; L140-F225 HydrophobicContact CD1-CE2 4.24Å; L140-F225 HydrophobicContact CD1-CG 3.9Å; L140-F225 HydrophobicContact CD1-CZ 3.89Å; F155-F225 HydrophobicContact CB-CE2 3.56Å; F155-F225 HydrophobicContact CB-CZ 3.74Å; F155-F225 HydrophobicContact CD1-CZ 4.06Å; F155-F225 HydrophobicContact CG-CE2 4.31Å; F155-F225 HydrophobicContact CG-CZ 4.01Å; L157-F225 HydrophobicContact CD1-CD2 4.04Å; L157-F225 HydrophobicContact CD1-CE2 3.78Å; L157-F225 HydrophobicContact CD1-CZ 4.48Å; L157-F225 HydrophobicContact CG-CE2 4.22Å; L164-F225 HydrophobicContact CD1-CE2 4.12Å; L164-F225 HydrophobicContact CD1-CZ 3.83Å; L164-F225 HydrophobicContact CD2-CZ 4.4Å; L199-F225 HydrophobicContact CD2-CD1 4.01Å; L199-F225 HydrophobicContact CD2-CE1 4.31Å; I201-F225 HydrophobicContact CD1-CE1 3.86Å; I201-F225 HydrophobicContact CD1-CZ 4.42Å; V221-F225 WeakPolarHBondContact O-CB 3.11Å; V221-F225 PolarHBondContact O-N 3.44Å; I222-F225 PolarHBondContact O-N 3.4Å; F225-T227 VanDerWaalsContact C-N 3.34Å; F225-T227 PolarHBondContact O-N 3.12Å; F225-A228 PolarHBondContact O-N 2.82Å; F225-I229 HydrophobicContact CD1-CD1 4.01Å; F225-I229 HydrophobicContact CE1-CD1 3.56Å; F225-I229 HydrophobicContact CE1-CG1 4.27Å; F225-I229 HydrophobicContact CZ-CD1 4.06Å; F225-I229 HydrophobicContact CZ-CG1 4.39Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 3.25Å
226F98.2Very high97Very high3 Ų323.7 Ų23.71%0.01312%0.123CC..Hα-helixtrans-61.3-41.6173.2174.2-112.9000112.3Y96 L106 A186 F188 L199 I222 V223 S224 A228 I229 R230 T254Y96-F226 HydrophobicContact CD1-CE1 4.39Å; Y96-F226 HydrophobicContact CD2-CE1 4.49Å; Y96-F226 AromaticContact CG-CE1 3.96Å; Y96-F226 HydrophobicContact CG-CE1 3.96Å; Y96-F226 HydrophobicContact CG-CZ 4.48Å; L106-F226 HydrophobicContact CD2-CD1 4.2Å; L106-F226 HydrophobicContact CD2-CE1 4.17Å; A186-F226 HydrophobicContact CB-CD2 4.04Å; A186-F226 HydrophobicContact CB-CE2 4.15Å; A186-F226 WeakPolarHBondContact O-CE2 3.38Å; F188-F226 HydrophobicContact CD2-CD1 4.44Å; F188-F226 HydrophobicContact CD2-CG 4.42Å; F188-F226 HydrophobicContact CE2-CB 3.82Å; F188-F226 AromaticContact CE2-CD1 3.76Å; F188-F226 HydrophobicContact CE2-CD1 3.76Å; F188-F226 HydrophobicContact CE2-CD2 4.27Å; F188-F226 HydrophobicContact CE2-CE1 4.36Å; F188-F226 AromaticContact CE2-CG 3.69Å; F188-F226 HydrophobicContact CE2-CG 3.69Å; F188-F226 HydrophobicContact CZ-CB 4.17Å; L199-F226 HydrophobicContact CD1-CD2 3.99Å; I222-F226 WeakPolarHBondContact O-CB 3.31Å; I222-F226 PolarHBondContact O-N 3.16Å; V223-F226 PolarHBondContact O-N 2.81Å; S224-F226 PolarHBondContact O-N 3.07Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 2.88Å; F226-I229 WeakPolarHBondContact O-CB 3.42Å; F226-I229 PolarHBondContact O-N 3.31Å; F226-R230 VanDerWaalsContact CE1-CD 3.44Å; F226-R230 HydrophobicContact CE1-CG 4.47Å; F226-R230 HydrophobicContact CE2-CG 4.33Å; F226-R230 VanDerWaalsContact CZ-CD 3.48Å; F226-R230 HydrophobicContact CZ-CG 4.24Å; F226-R230 WeakPolarHBondContact O-CG 3.46Å; F226-R230 PolarHBondContact O-N 3.48Å; F226-T254 HydrophobicContact CE2-CG2 3.95Å; F226-T254 HydrophobicContact CZ-CG2 4.43Å
227T97.1Very high96.8Very high1 Ų121.7 Ų21.71%0.00612%0.115CC..Hα-helixtrans-63.9-39175.7-58.60000111.4F94 Y95 Y131 V223 S224 F225 R230 A231F94-T227 HydrophobicContact CD2-CG2 3.9Å; F94-T227 HydrophobicContact CE2-CG2 3.8Å; Y95-T227 HydrophobicContact CD2-CG2 3.85Å; Y95-T227 HydrophobicContact CE2-CG2 4.09Å; Y131-T227 HydrophobicContact CD1-CG2 4.14Å; Y131-T227 HydrophobicContact CE1-CG2 3.77Å; Y131-T227 HydrophobicContact CE2-CG2 4.43Å; V223-T227 WeakPolarHBondContact O-CB 3.39Å; V223-T227 PolarHBondContact O-N 3.38Å; V223-T227 PolarHBondContact O-OG1 2.8Å; S224-T227 CarbonylContact O-C 3.48Å; S224-T227 WeakPolarHBondContact O-CB 3.48Å; S224-T227 PolarHBondContact O-N 3.11Å; S224-T227 VanDerWaalsContact O-N 3.16Å; F225-T227 VanDerWaalsContact C-N 3.34Å; F225-T227 PolarHBondContact O-N 3.12Å; T227-R230 WeakPolarHBondContact O-CB 3.44Å; T227-R230 PolarHBondContact O-N 3.18Å; T227-A231 PolarHBondContact O-N 2.82Å
228A96.8Very high96.6Very high3 Ų318.9 Ų18.93%0.02510%0.103CC..Hα-helixtrans-67.2-38.4175.700000112.5Y131 F136 L157 S224 F225 F226 R230 A231 T232Y131-A228 HydrophobicContact CD1-CB 3.93Å; Y131-A228 HydrophobicContact CE1-CB 3.98Å; F136-A228 HydrophobicContact CB-CB 4.09Å; F136-A228 HydrophobicContact CD1-CB 3.62Å; F136-A228 HydrophobicContact CD2-CB 3.74Å; F136-A228 HydrophobicContact CE1-CB 3.92Å; F136-A228 HydrophobicContact CE2-CB 4.02Å; F136-A228 HydrophobicContact CG-CB 3.53Å; F136-A228 HydrophobicContact CZ-CB 4.11Å; L157-A228 HydrophobicContact CD1-CB 3.5Å; L157-A228 VanDerWaalsContact CD1-CB 3.5Å; S224-A228 WeakPolarHBondContact O-CB 3.5Å; S224-A228 PolarHBondContact O-N 3.01Å; F225-A228 PolarHBondContact O-N 2.82Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 2.88Å; A228-R230 VanDerWaalsContact C-N 3.29Å; A228-R230 PolarHBondContact O-N 2.92Å; A228-A231 PolarHBondContact O-N 3.31Å; A228-T232 WeakPolarHBondContact O-CB 3.27Å; A228-T232 PolarHBondContact O-N 3.26Å; A228-T232 PolarHBondContact O-OG1 3.43Å
229I97.4Very high96.4Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-56.7-49169.7-71.6172.1000109.2L157 L184 A186 I201 F225 F226 A231 T232 R233L157-I229 HydrophobicContact CD1-CG1 3.91Å; L157-I229 HydrophobicContact CD2-CG1 3.96Å; L184-I229 HydrophobicContact CD2-CG2 3.49Å; L184-I229 VanDerWaalsContact CD2-CG2 3.49Å; A186-I229 HydrophobicContact CB-CD1 3.93Å; A186-I229 HydrophobicContact CB-CG2 4.14Å; I201-I229 HydrophobicContact CD1-CD1 4.27Å; I201-I229 HydrophobicContact CG1-CD1 4.42Å; F225-I229 HydrophobicContact CD1-CD1 4.01Å; F225-I229 HydrophobicContact CE1-CD1 3.56Å; F225-I229 HydrophobicContact CE1-CG1 4.27Å; F225-I229 HydrophobicContact CZ-CD1 4.06Å; F225-I229 HydrophobicContact CZ-CG1 4.39Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 3.25Å; F226-I229 WeakPolarHBondContact O-CB 3.42Å; F226-I229 PolarHBondContact O-N 3.31Å; I229-A231 PolarHBondContact O-N 2.79Å; I229-T232 PolarHBondContact O-N 3.49Å; I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.17Å
230R96.6Very high96.2Very high9 Ų926.7 Ų26.73%0.03413%0.132CC..Hα-helixtrans-62.2-43.3-179.2-73.117854.181.71.9112.7F94 F226 T227 A228 R233 L234 I253 T254F94-R230 HydrophobicContact CB-CB 4.4Å; F94-R230 WeakPolarHBondContact O-CB 3.26Å; F94-R230 VanDerWaalsContact O-CZ 3.27Å; F94-R230 PolarHBondContact O-NE 3.32Å; F94-R230 PolarHBondContact O-NH2 3.15Å; F226-R230 VanDerWaalsContact CE1-CD 3.44Å; F226-R230 HydrophobicContact CE1-CG 4.47Å; F226-R230 HydrophobicContact CE2-CG 4.33Å; F226-R230 VanDerWaalsContact CZ-CD 3.48Å; F226-R230 HydrophobicContact CZ-CG 4.24Å; F226-R230 WeakPolarHBondContact O-CG 3.46Å; F226-R230 PolarHBondContact O-N 3.48Å; T227-R230 WeakPolarHBondContact O-CB 3.44Å; T227-R230 PolarHBondContact O-N 3.18Å; A228-R230 VanDerWaalsContact C-N 3.29Å; A228-R230 PolarHBondContact O-N 2.92Å; R230-R233 PolarHBondContact O-N 3.37Å; R230-L234 WeakPolarHBondContact O-CB 3.37Å; R230-L234 PolarHBondContact O-N 2.81Å; R230-I253 VanDerWaalsContact CA-CG2 3.42Å; R230-I253 HydrophobicContact CB-CG2 3.6Å; R230-I253 HydrophobicContact CG-CG2 3.72Å; R230-I253 VanDerWaalsContact O-CG2 3.25Å; R230-I253 WeakPolarHBondContact O-CG2 3.42Å; R230-T254 HydrophobicContact CG-CG2 3.69Å; R230-T254 PolarHBondContact NH1-OG1 3.48Å
231A95.2Very high95.9Very high5 Ų526.1 Ų26.14%0.04113%0.129CC..Hα-helixtrans-60.6-49.6175.400000111.7F94 T227 A228 I229 R233 L234 A235F94-A231 HydrophobicContact CB-CB 4.38Å; F94-A231 HydrophobicContact CD1-CB 3.96Å; F94-A231 HydrophobicContact CD2-CB 3.74Å; F94-A231 HydrophobicContact CE1-CB 4.13Å; F94-A231 HydrophobicContact CE2-CB 3.94Å; F94-A231 HydrophobicContact CG-CB 3.77Å; F94-A231 HydrophobicContact CZ-CB 4.12Å; T227-A231 PolarHBondContact O-N 2.82Å; A228-A231 PolarHBondContact O-N 3.31Å; I229-A231 PolarHBondContact O-N 2.79Å; A231-R233 VanDerWaalsContact C-N 3.3Å; A231-R233 PolarHBondContact O-N 3.03Å; A231-L234 PolarHBondContact O-N 3.3Å; A231-A235 PolarHBondContact O-N 2.93Å
232T96Very high95.6Very high2 Ų229.3 Ų29.31%0.01215%0.15CC..Hα-helixtrans-62.9-38.5-180-50.40000111.8S158 Q159 M181 A228 I229 A235 Y236S158-T232 WeakPolarHBondContact O-CG2 3.46Å; Q159-T232 HydrophobicContact CG-CG2 4.08Å; M181-T232 HydrophobicContact CE-CG2 3.75Å; M181-T232 HydrophobicContact CG-CG2 3.88Å; M181-T232 HydrophobicContact SD-CG2 4.11Å; A228-T232 WeakPolarHBondContact O-CB 3.27Å; A228-T232 PolarHBondContact O-N 3.26Å; A228-T232 PolarHBondContact O-OG1 3.43Å; I229-T232 PolarHBondContact O-N 3.49Å; T232-A235 PolarHBondContact O-N 3.28Å; T232-Y236 PolarHBondContact O-N 3.47Å
233R95.5Very high95.3Very high28 Ų2835.3 Ų35.311%0.10619%0.188CC..Hα-helixtrans-70.1-39.2177.4-174.564.1162.1142.2-5.2112.4M181 K182 I229 R230 A231 Y236 L237 I253M181-R233 WeakPolarHBondContact O-CD 3.44Å; M181-R233 PolarHBondContact O-NE 2.85Å; M181-R233 PolarHBondContact O-NH1 2.8Å; M181-R233 HydrophobicContact SD-CB 4.3Å; K182-R233 PolarHBondContact O-NH1 3.26Å; K182-R233 PolarHBondContact O-NH2 2.9Å; I229-R233 WeakPolarHBondContact O-CB 3.24Å; I229-R233 PolarHBondContact O-N 3.17Å; R230-R233 PolarHBondContact O-N 3.37Å; A231-R233 VanDerWaalsContact C-N 3.3Å; A231-R233 PolarHBondContact O-N 3.03Å; R233-Y236 WeakPolarHBondContact O-CB 3.43Å; R233-Y236 PolarHBondContact O-N 2.97Å; R233-L237 HydrophobicContact CG-CD1 4.44Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 3.22Å; R233-I253 HydrophobicContact CB-CG2 4.03Å; R233-I253 HydrophobicContact CG-CG2 4.17Å; R233-I253 VanDerWaalsContact CG-O 3.29Å; R233-I253 WeakPolarHBondContact CG-O 3.36Å
234L94.7Very high94.9Very high7 Ų737.9 Ų37.94%0.03720%0.2CC..Hα-helixtrans-62.4-45.1172.9179.659000111.2A93 F94 R230 A231 Y236 L237 L238 L249 I253A93-L234 HydrophobicContact CB-CD2 4.15Å; F94-L234 HydrophobicContact CB-CB 4.33Å; F94-L234 HydrophobicContact CB-CD2 3.87Å; F94-L234 HydrophobicContact CD1-CD2 4.32Å; R230-L234 WeakPolarHBondContact O-CB 3.37Å; R230-L234 PolarHBondContact O-N 2.81Å; A231-L234 PolarHBondContact O-N 3.3Å; L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 2.84Å; L234-L237 PolarHBondContact O-N 3.28Å; L234-L237 VanDerWaalsContact O-N 3.14Å; L234-L238 HydrophobicContact CD1-CD1 4.17Å; L234-L238 HydrophobicContact CD1-CG 4.17Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.45Å; L234-L238 WeakPolarHBondContact O-CG 3.49Å; L234-L238 PolarHBondContact O-N 3.02Å; L234-L249 HydrophobicContact CD1-CB 4.01Å; L234-L249 HydrophobicContact CD1-CD1 4.35Å; L234-I253 HydrophobicContact CB-CD1 3.97Å; L234-I253 HydrophobicContact CB-CG1 4.27Å; L234-I253 HydrophobicContact CD1-CD1 4.11Å; L234-I253 HydrophobicContact CD1-CG1 4.38Å; L234-I253 HydrophobicContact CD2-CD1 4.32Å; L234-I253 HydrophobicContact CG-CD1 4.35Å
235A93.8Very high94.6Very high27 Ų2743 Ų4322%0.22322%0.222CC..Hα-helixtrans-58.4-41.917600000112F162 A231 T232 K239F162-A235 HydrophobicContact CE1-CB 3.96Å; A231-A235 PolarHBondContact O-N 2.93Å; T232-A235 PolarHBondContact O-N 3.28Å; A235-K239 PolarHBondContact O-N 3.33Å; A235-K239 VanDerWaalsContact O-N 3.12Å
236Y95.2Very high94.2Very high35 Ų3547 Ų4714%0.13724%0.24CC..Hα-helixtrans-59.9-48.5172.9168.5-95.6000112.3F162 M181 K182 T232 R233 L234 K239 K240F162-Y236 HydrophobicContact CB-CD2 3.85Å; F162-Y236 HydrophobicContact CB-CG 4.4Å; F162-Y236 HydrophobicContact CD1-CD2 4.46Å; F162-Y236 HydrophobicContact CD2-CD2 4.25Å; F162-Y236 AromaticContact CG-CD2 3.92Å; F162-Y236 HydrophobicContact CG-CD2 3.92Å; F162-Y236 HydrophobicContact CG-CG 4.43Å; M181-Y236 HydrophobicContact CB-CD1 4.41Å; M181-Y236 HydrophobicContact CB-CD2 4.35Å; M181-Y236 HydrophobicContact CB-CG 3.98Å; K182-Y236 HydrophobicContact CB-CE1 4.45Å; K182-Y236 HydrophobicContact CB-CE2 4.48Å; K182-Y236 WeakPolarHBondContact CB-OH 3.37Å; K182-Y236 WeakPolarHBondContact CG-OH 3.46Å; T232-Y236 PolarHBondContact O-N 3.47Å; R233-Y236 WeakPolarHBondContact O-CB 3.43Å; R233-Y236 PolarHBondContact O-N 2.97Å; L234-Y236 VanDerWaalsContact C-N 3.3Å; L234-Y236 PolarHBondContact O-N 2.84Å; Y236-K239 PolarHBondContact O-N 3.02Å; Y236-K240 HydrophobicContact CE1-CD 3.92Å; Y236-K240 WeakPolarHBondContact O-CB 3.4Å; Y236-K240 PolarHBondContact O-N 3.1Å
237L94Very high93.7Very high4 Ų450.6 Ų50.62%0.02127%0.266CS..Hα-helixtrans-64.3-41.7-177.5-72.3171.5000111.8R233 L234 K239 K240 H241 L249 Q252 I253R233-L237 HydrophobicContact CG-CD1 4.44Å; R233-L237 WeakPolarHBondContact O-CG 3.49Å; R233-L237 PolarHBondContact O-N 3.22Å; L234-L237 PolarHBondContact O-N 3.28Å; L234-L237 VanDerWaalsContact O-N 3.14Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.13Å; L237-K240 PolarHBondContact O-N 2.8Å; L237-H241 WeakPolarHBondContact O-CB 3.2Å; L237-H241 PolarHBondContact O-N 3.01Å; L237-L249 HydrophobicContact CB-CD1 4.02Å; L237-L249 HydrophobicContact CB-CD2 4.11Å; L237-L249 HydrophobicContact CB-CG 4.46Å; L237-L249 HydrophobicContact CD1-CB 4.48Å; L237-Q252 HydrophobicContact CD1-CB 3.96Å; L237-I253 HydrophobicContact CD1-CG1 4.4Å
238L93.9Very high93.3Very high53 Ų5354.2 Ų54.228%0.27729%0.285SS..Hα-helixtrans-61.6-41.1175.2-72.9166.7000111.8L234 H241 P242 L249L234-L238 HydrophobicContact CD1-CD1 4.17Å; L234-L238 HydrophobicContact CD1-CG 4.17Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.45Å; L234-L238 WeakPolarHBondContact O-CG 3.49Å; L234-L238 PolarHBondContact O-N 3.02Å; L238-H241 CarbonylContact O-C 3.48Å; L238-H241 PolarHBondContact O-N 3.11Å; L238-P242 WeakPolarHBondContact O-CA 3.41Å; L238-L249 HydrophobicContact CD2-CD1 3.54Å; L238-L249 HydrophobicContact CG-CD1 3.86Å
239K94Very high93Very high150 Ų15054 Ų5465%0.65228%0.284SS*.Hα-helixtrans-67-38.8176-171176.1-174.4171.20112.3F162 A235 Y236 L237F162-K239 HydrophobicContact CD2-CD 4.48Å; F162-K239 HydrophobicContact CE2-CD 3.33Å; F162-K239 HydrophobicContact CZ-CB 4.23Å; F162-K239 HydrophobicContact CZ-CD 3.49Å; F162-K239 VanDerWaalsContact CZ-CD 3.49Å; A235-K239 PolarHBondContact O-N 3.33Å; A235-K239 VanDerWaalsContact O-N 3.12Å; Y236-K239 PolarHBondContact O-N 3.02Å; L237-K239 VanDerWaalsContact C-N 3.33Å; L237-K239 PolarHBondContact O-N 3.13Å
240K93.2Very high92.6Very high92 Ų9257 Ų5740%0.430%0.299SS..Hα-helixtrans-72.4-33.6178.9-173.7-175.9172.6-161.50112.1Y236 L237Y236-K240 HydrophobicContact CE1-CD 3.92Å; Y236-K240 WeakPolarHBondContact O-CB 3.4Å; Y236-K240 PolarHBondContact O-N 3.1Å; L237-K240 PolarHBondContact O-N 2.8Å
241H92.3Very high92.1Very high57 Ų5760.8 Ų60.826%0.26433%0.325SS..  trans-129.169.2-174.3-58-72.6000111L237 L238 T243 L244L237-H241 WeakPolarHBondContact O-CB 3.2Å; L237-H241 PolarHBondContact O-N 3.01Å; L238-H241 CarbonylContact O-C 3.48Å; L238-H241 PolarHBondContact O-N 3.11Å; H241-T243 PolarHBondContact O-N 3.42Å; H241-L244 HydrophobicContact CB-CB 4.22Å; H241-L244 HydrophobicContact CB-CD1 3.73Å; H241-L244 HydrophobicContact CB-CG 3.96Å; H241-L244 PolarHBondContact O-N 3.37Å; H241-L244 VanDerWaalsContact O-N 3.08Å
242P91.6Very high91.7Very high110 Ų11063.9 Ų63.971%0.71434%0.339SS*.THydrogen-bonded Turntrans-65-14.5-171.826.5-35.8000114.3L238L238-P242 WeakPolarHBondContact O-CA 3.41Å
243T92.4Very high91.6Very high127 Ų12763.9 Ų63.978%0.77934%0.339SS*.THydrogen-bonded Turntrans-90.6-12.3178.958.20000113.6H241H241-T243 PolarHBondContact O-N 3.42Å
244L90.4Very high91.4Very high60 Ų6063 Ų6331%0.31434%0.336SS..SBendtrans-88.8145.3-177.7-66.2-175.8000111.3H241 D248 L249H241-L244 HydrophobicContact CB-CB 4.22Å; H241-L244 HydrophobicContact CB-CD1 3.73Å; H241-L244 HydrophobicContact CB-CG 3.96Å; H241-L244 PolarHBondContact O-N 3.37Å; H241-L244 VanDerWaalsContact O-N 3.08Å; L244-D248 HydrophobicContact CB-CB 4.46Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CB-CD2 4.06Å; L244-L249 HydrophobicContact CB-CG 4.12Å; L244-L249 HydrophobicContact CD1-CD2 3.72Å
245Q90.2Very high90.9Very high129 Ų12963.7 Ų63.760%0.60334%0.341SS*.  trans-84.6163.5176.7-65.7-66.2-19.900110.8S247 D248 L249Q245-S247 PolarHBondContact O-N 3.34Å; Q245-D248 PolarHBondContact N-OD2 2.94Å; Q245-D248 VanDerWaalsContact N-OD2 3.07Å; Q245-D248 PolarHBondContact O-N 3.37Å; Q245-D248 VanDerWaalsContact O-N 3.09Å; Q245-L249 PolarHBondContact O-N 2.9Å
246H88.7Confident90.2Very high84 Ų8465.5 Ų65.539%0.38935%0.345SS..Hα-helixtrans-55.4-39177.2-75.1-156.2000112.1A93 D248 L249 I250A93-H246 HydrophobicContact CB-CB 4.24Å; A93-H246 WeakPolarHBondContact CB-ND1 3.41Å; H246-D248 PolarHBondContact O-N 2.83Å; H246-L249 PolarHBondContact O-N 3.41Å; H246-L249 VanDerWaalsContact O-N 3.15Å; H246-I250 WeakPolarHBondContact O-CG1 3.48Å; H246-I250 PolarHBondContact O-N 3.13Å
247S88.6Confident89.8Confident79 Ų7965.5 Ų65.555%0.55235%0.349SS*.Hα-helixtrans-55.9-37.2178.649.20000113.2Q245 P251Q245-S247 PolarHBondContact O-N 3.34Å; S247-P251 WeakPolarHBondContact O-CD 3.26Å
248D87.9Confident89.6Confident77 Ų7767.6 Ų67.641%0.41236%0.36SS..Hα-helixtrans-79.1-26.7-176-47.2-38.7000111.3L244 Q245 H246 Q252L244-D248 HydrophobicContact CB-CB 4.46Å; Q245-D248 PolarHBondContact N-OD2 2.94Å; Q245-D248 VanDerWaalsContact N-OD2 3.07Å; Q245-D248 PolarHBondContact O-N 3.37Å; Q245-D248 VanDerWaalsContact O-N 3.09Å; H246-D248 PolarHBondContact O-N 2.83Å; D248-Q252 PolarHBondContact O-NE2 2.93Å
249L90.4Very high89.5Confident0 Ų066.4 Ų66.40%035%0.353CS..Hα-helixtrans-92.9-28.5-176.1-62.5-180000113.3L234 L237 L238 L244 Q245 H246 P251 Q252 I253L234-L249 HydrophobicContact CD1-CB 4.01Å; L234-L249 HydrophobicContact CD1-CD1 4.35Å; L237-L249 HydrophobicContact CB-CD1 4.02Å; L237-L249 HydrophobicContact CB-CD2 4.11Å; L237-L249 HydrophobicContact CB-CG 4.46Å; L237-L249 HydrophobicContact CD1-CB 4.48Å; L238-L249 HydrophobicContact CD2-CD1 3.54Å; L238-L249 HydrophobicContact CG-CD1 3.86Å; L244-L249 HydrophobicContact CB-CD1 4.37Å; L244-L249 HydrophobicContact CB-CD2 4.06Å; L244-L249 HydrophobicContact CB-CG 4.12Å; L244-L249 HydrophobicContact CD1-CD2 3.72Å; Q245-L249 PolarHBondContact O-N 2.9Å; H246-L249 PolarHBondContact O-N 3.41Å; H246-L249 VanDerWaalsContact O-N 3.15Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; L249-P251 VanDerWaalsContact C-N 3.33Å; L249-Q252 WeakPolarHBondContact O-CA 3.46Å; L249-Q252 WeakPolarHBondContact O-CB 3.48Å; L249-Q252 PolarHBondContact O-N 3.38Å; L249-I253 PolarHBondContact O-N 3.29Å
250I89.9Confident89.5Confident62 Ų6261 Ų6132%0.31833%0.33SS..Hα-helixtrans-49.8-46.1-179.1-78.4161.7000112.9A93 H246 Q252 I253A93-I250 HydrophobicContact CB-CD1 4.2Å; H246-I250 WeakPolarHBondContact O-CG1 3.48Å; H246-I250 PolarHBondContact O-N 3.13Å; I250-Q252 PolarHBondContact O-N 3.35Å; I250-I253 HydrophobicContact CG1-CD1 4.26Å; I250-I253 WeakPolarHBondContact O-CG1 3.36Å; I250-I253 PolarHBondContact O-N 3.06Å
251P86.9Confident89.6Confident88 Ų8857 Ų5757%0.57132%0.315SS*.Hα-helixtrans-64.1-19.1177.6-23.335.5000114.4S247 L249S247-P251 WeakPolarHBondContact O-CD 3.26Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; L249-P251 VanDerWaalsContact C-N 3.33Å
252Q86.8Confident89.9Confident71 Ų7157.6 Ų57.633%0.33232%0.315SS..Hα-helixtrans-96-8.9-176.1-55.1179.248.900113.1L237 D248 L249 I250L237-Q252 HydrophobicContact CD1-CB 3.96Å; D248-Q252 PolarHBondContact O-NE2 2.93Å; L249-Q252 WeakPolarHBondContact O-CA 3.46Å; L249-Q252 WeakPolarHBondContact O-CB 3.48Å; L249-Q252 PolarHBondContact O-N 3.38Å; I250-Q252 PolarHBondContact O-N 3.35Å
253I92.4Very high90.1Very high2 Ų252.3 Ų52.31%0.0128%0.281CS..Hα-helixtrans-64.2-54.7-177.7-58.8175.6000110.4F94 R230 R233 L234 L237 L249 I250F94-I253 HydrophobicContact CB-CD1 4.43Å; R230-I253 VanDerWaalsContact CA-CG2 3.42Å; R230-I253 HydrophobicContact CB-CG2 3.6Å; R230-I253 HydrophobicContact CG-CG2 3.72Å; R230-I253 VanDerWaalsContact O-CG2 3.25Å; R230-I253 WeakPolarHBondContact O-CG2 3.42Å; R233-I253 HydrophobicContact CB-CG2 4.03Å; R233-I253 HydrophobicContact CG-CG2 4.17Å; R233-I253 VanDerWaalsContact CG-O 3.29Å; R233-I253 WeakPolarHBondContact CG-O 3.36Å; L234-I253 HydrophobicContact CB-CD1 3.97Å; L234-I253 HydrophobicContact CB-CG1 4.27Å; L234-I253 HydrophobicContact CD1-CD1 4.11Å; L234-I253 HydrophobicContact CD1-CG1 4.38Å; L234-I253 HydrophobicContact CD2-CD1 4.32Å; L234-I253 HydrophobicContact CG-CD1 4.35Å; L237-I253 HydrophobicContact CD1-CG1 4.4Å; L249-I253 PolarHBondContact O-N 3.29Å; I250-I253 HydrophobicContact CG1-CD1 4.26Å; I250-I253 WeakPolarHBondContact O-CG1 3.36Å; I250-I253 PolarHBondContact O-N 3.06Å
254T91.4Very high90.2Very high8 Ų846.6 Ų46.65%0.04925%0.246CC..SBendtrans-141.4139174.252.90000108.5N185 A186 F226 R230N185-T254 WeakPolarHBondContact OD1-CA 3.09Å; A186-T254 HydrophobicContact CB-CG2 4.44Å; F226-T254 HydrophobicContact CE2-CG2 3.95Å; F226-T254 HydrophobicContact CZ-CG2 4.43Å; R230-T254 HydrophobicContact CG-CG2 3.69Å; R230-T254 PolarHBondContact NH1-OG1 3.48Å
255T84.3Confident90.4Very high23 Ų2345 Ų4514%0.14124%0.236CC..  trans-109.4136.2-17264.90000110.7N185 V284N185-T255 PolarHBondContact ND2-O 3.03Å; N185-T255 PolarHBondContact ND2-OG1 3.07Å; N185-T255 VanDerWaalsContact ND2-OG1 3.16Å; N185-T255 PolarHBondContact OD1-N 3.31Å; N185-T255 PolarHBondContact OD1-OG1 3.3Å; T255-V284 HydrophobicContact CG2-CB 3.85Å; T255-V284 HydrophobicContact CG2-CG1 4.14Å; T255-V284 HydrophobicContact CG2-CG2 3.45Å; T255-V284 VanDerWaalsContact CG2-CG2 3.45Å
256H79.8Confident90.5Very high65 Ų6539.3 Ų39.330%0.30121%0.21SC..  trans-83.5144.5172.9-64.3-94.7000110.4Y96 H187Y96-H256 AromaticContact CE2-CE1 3.71Å; Y96-H256 AromaticContact CE2-NE2 3.3Å; Y96-H256 VanDerWaalsContact CE2-NE2 3.3Å; Y96-H256 WeakPolarHBondContact CE2-NE2 3.24Å; Y96-H256 AromaticContact CZ-CE1 3.58Å; Y96-H256 AromaticContact CZ-NE2 3.65Å; Y96-H256 PolarHBondContact OH-CE1 3.09Å; Y96-H256 PolarHBondContact OH-NE2 2.97Å; H187-H256 AromaticContact CE1-CE1 3.63Å; H187-H256 AromaticContact CE1-ND1 3.11Å; H187-H256 PolarHBondContact CE1-ND1 3.49Å; H187-H256 AromaticContact ND1-CE1 3.68Å; H187-H256 AromaticContact ND1-ND1 3.38Å; H187-H256 PolarHBondContact ND1-ND1 3.16Å
257C85.9Confident90.5Very high34 Ų3436.1 Ų36.123%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-72.3135.9168.1-60.20000108.1E260 T280 L281 C282C257-E260 HydrophobicContact CB-CG 3.92Å; C257-T280 HydrophobicContact CB-CG2 4.35Å; C257-T280 VanDerWaalsContact SG-CG2 3.56Å; C257-L281 CarbonylContact C-O 3.58Å; C257-L281 WeakPolarHBondContact CA-O 3.49Å; C257-C282 VanDerWaalsContact SG-SG 3.61Å
258L89.8Confident90.5Very high49 Ų4936.3 Ų36.326%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-70-42.8173.7-69.9-179.8000110.8L281 A356 K359 V360L258-L281 HydrophobicContact CB-CD2 4.48Å; L258-L281 HydrophobicContact CB-CG 4.41Å; L258-L281 HydrophobicContact CD1-CD2 4.37Å; L258-L281 HydrophobicContact CD1-CG 4.4Å; L258-L281 PolarHBondContact N-O 3.1Å; L258-A356 HydrophobicContact CB-CB 4.32Å; L258-K359 HydrophobicContact CD2-CD 4.04Å; L258-V360 HydrophobicContact CD1-CG2 3.38Å
259K93Very high90.4Very high28 Ų2836.8 Ų36.812%0.12221%0.205CC..EExtended strand (participates in β ladder)trans-157.9146.5176.5-171.1165.3171.464.70111.3L281 E352 W353 A356K259-L281 PolarHBondContact N-O 3.09Å; K259-L281 PolarHBondContact O-N 2.82Å; K259-E352 VanDerWaalsContact CD-C 3.5Å; K259-E352 HydrophobicContact CD-CB 3.8Å; K259-E352 VanDerWaalsContact CE-CB 3.45Å; K259-E352 IonicContact NZ-OE2 3.99Å; K259-E352 PolarHBondContact NZ-OE2 2.83Å; K259-W353 HydrophobicContact CB-CE3 4.05Å; K259-W353 HydrophobicContact CB-CH2 4.23Å; K259-W353 HydrophobicContact CB-CZ3 3.88Å; K259-W353 HydrophobicContact CD-CB 4.25Å; K259-W353 HydrophobicContact CD-CD2 3.52Å; K259-W353 HydrophobicContact CD-CE3 3.8Å; K259-W353 HydrophobicContact CD-CG 3.72Å; K259-W353 HydrophobicContact CD-CZ2 4.46Å; K259-W353 HydrophobicContact CD-CZ3 4.37Å; K259-W353 VanDerWaalsContact CE-CD2 3.49Å; K259-W353 HydrophobicContact CG-CD2 3.94Å; K259-W353 HydrophobicContact CG-CE3 3.96Å; K259-W353 HydrophobicContact CG-CH2 4.04Å; K259-W353 HydrophobicContact CG-CZ2 4.04Å; K259-W353 HydrophobicContact CG-CZ3 4.01Å; K259-A356 HydrophobicContact CB-CB 3.92Å; K259-A356 HydrophobicContact CD-CB 4.45Å
260E94.3Very high90.1Very high35 Ų3539.7 Ų39.716%0.16422%0.219CC..EExtended strand (participates in β ladder)trans-135158.9168.7-54.2-166.981.600110.4Q189 K192 C257 W278 F279 T280Q189-E260 PolarHBondContact NE2-OE2 3.48Å; Q189-E260 PolarHBondContact OE1-OE2 3.47Å; K192-E260 WeakPolarHBondContact CE-OE2 3.21Å; K192-E260 IonicContact NZ-OE1 2.94Å; K192-E260 PolarHBondContact NZ-OE1 3.3Å; K192-E260 IonicContact NZ-OE2 3.6Å; K192-E260 PolarHBondContact NZ-OE2 2.87Å; C257-E260 HydrophobicContact CB-CG 3.92Å; E260-W278 HydrophobicContact CB-CH2 4.46Å; E260-W278 HydrophobicContact CB-CZ2 3.57Å; E260-W278 PolarHBondContact OE1-NE1 3.07Å; E260-F279 WeakPolarHBondContact CA-O 3.41Å; E260-F279 WeakPolarHBondContact CB-O 3.13Å; E260-T280 HydrophobicContact CG-CG2 3.91Å; E260-T280 WeakPolarHBondContact OE1-CB 3.35Å; E260-T280 WeakPolarHBondContact OE1-CG2 3.44Å; E260-T280 PolarHBondContact OE1-OG1 2.93Å
261G95.5Very high89.9Confident9 Ų947.8 Ų47.89%0.09325%0.245CC..EExtended strand (participates in β ladder)trans157172.3179.700000112.2F279G261-F279 PolarHBondContact N-O 3.07Å; G261-F279 VanDerWaalsContact N-O 3.14Å; G261-F279 PolarHBondContact O-N 3.03Å
262Y96.7Very high90.1Very high69 Ų6946.2 Ų46.227%0.27123%0.23SC..EExtended strand (participates in β ladder)trans-79141.7172.7-75.4-75000110.8K276 R277 W278 P294 W327Y262-K276 HydrophobicContact CD1-CD 4.05Å; Y262-K276 HydrophobicContact CD1-CG 3.64Å; Y262-K276 HydrophobicContact CE1-CD 4.5Å; Y262-K276 HydrophobicContact CE1-CG 4.27Å; Y262-K276 HydrophobicContact CG-CD 4.36Å; Y262-K276 HydrophobicContact CG-CG 4.24Å; Y262-R277 WeakPolarHBondContact CA-O 3.46Å; Y262-R277 WeakPolarHBondContact CD1-O 3.39Å; Y262-W278 HydrophobicContact CD1-CB 4.25Å; Y262-W278 HydrophobicContact CD1-CE3 4.23Å; Y262-W278 AromaticContact CD2-CE3 3.63Å; Y262-W278 HydrophobicContact CD2-CE3 3.63Å; Y262-W278 AromaticContact CD2-CZ3 3.84Å; Y262-W278 HydrophobicContact CD2-CZ3 3.84Å; Y262-W278 HydrophobicContact CE1-CB 4.05Å; Y262-W278 HydrophobicContact CE1-CE3 4.23Å; Y262-W278 AromaticContact CE2-CE3 3.62Å; Y262-W278 HydrophobicContact CE2-CE3 3.62Å; Y262-W278 AromaticContact CE2-CZ3 3.91Å; Y262-W278 HydrophobicContact CE2-CZ3 3.91Å; Y262-W278 AromaticContact CG-CE3 3.94Å; Y262-W278 HydrophobicContact CG-CE3 3.94Å; Y262-W278 HydrophobicContact CG-CZ3 4.5Å; Y262-W278 AromaticContact CZ-CE3 3.93Å; Y262-P294 WeakPolarHBondContact OH-CD 3.39Å; Y262-W327 VanDerWaalsContact CB-CH2 3.48Å; Y262-W327 WeakPolarHBondContact O-CZ3 3.49Å
263M96.7Very high90.3Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-136.6155.7160.7-66.8-178-74.100108.4R277 F279 F342 M343 W353 F357M263-R277 PolarHBondContact N-O 2.81Å; M263-R277 PolarHBondContact O-N 3.13Å; M263-R277 VanDerWaalsContact O-O 3.11Å; M263-F279 HydrophobicContact CB-CD2 3.71Å; M263-F279 HydrophobicContact CB-CE2 3.59Å; M263-F279 HydrophobicContact CB-CZ 4.5Å; M263-F279 HydrophobicContact CE-CB 3.76Å; M263-F279 HydrophobicContact CE-CD1 3.92Å; M263-F279 HydrophobicContact CE-CD2 3.65Å; M263-F279 HydrophobicContact CE-CE1 4.37Å; M263-F279 HydrophobicContact CE-CE2 4.14Å; M263-F279 HydrophobicContact CE-CG 3.51Å; M263-F279 HydrophobicContact CE-CZ 4.44Å; M263-F279 HydrophobicContact CG-CD2 4.32Å; M263-F342 HydrophobicContact CB-CB 4.37Å; M263-F342 HydrophobicContact CE-CG 4.48Å; M263-F342 HydrophobicContact SD-CB 3.86Å; M263-F342 HydrophobicContact SD-CG 4.23Å; M263-M343 CarbonylContact C-O 3.56Å; M263-M343 VanDerWaalsContact CA-O 3.3Å; M263-M343 WeakPolarHBondContact CA-O 3.39Å; M263-M343 WeakPolarHBondContact CB-O 3.3Å; M263-W353 HydrophobicContact CE-CD2 3.75Å; M263-W353 HydrophobicContact CE-CE3 3.96Å; M263-W353 HydrophobicContact CE-CG 4.36Å; M263-W353 HydrophobicContact CE-CH2 4.02Å; M263-W353 HydrophobicContact CE-CZ2 3.78Å; M263-W353 HydrophobicContact CE-CZ3 4.1Å; M263-W353 HydrophobicContact SD-CB 4.48Å; M263-W353 HydrophobicContact SD-CD2 3.81Å; M263-W353 HydrophobicContact SD-CG 3.78Å; M263-W353 HydrophobicContact SD-CZ2 4.47Å; M263-F357 HydrophobicContact CE-CZ 4.26Å
264E95.4Very high90.3Very high6 Ų648.1 Ų48.13%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-88.7139.8163-58.3-170.4136.900109.7F274 K275 K276 G325 R326 W327 F342 M343E264-F274 HydrophobicContact CB-CB 4.11Å; E264-F274 HydrophobicContact CB-CD1 3.89Å; E264-F274 HydrophobicContact CB-CG 4.45Å; E264-K275 WeakPolarHBondContact CA-O 3.38Å; E264-K276 HydrophobicContact CG-CB 4.32Å; E264-G325 WeakPolarHBondContact OE2-CA 3.45Å; E264-R326 IonicContact OE1-NE 3.34Å; E264-R326 PolarHBondContact OE2-N 3.32Å; E264-W327 HydrophobicContact CB-CE3 4.47Å; E264-W327 HydrophobicContact CG-CB 4.43Å; E264-W327 HydrophobicContact CG-CD2 3.94Å; E264-W327 HydrophobicContact CG-CE3 3.7Å; E264-W327 HydrophobicContact CG-CG 4.29Å; E264-W327 HydrophobicContact CG-CZ3 4.4Å; E264-W327 PolarHBondContact OE2-N 3.01Å; E264-F342 CarbonylContact O-C 3.47Å; E264-F342 WeakPolarHBondContact O-CA 3.3Å; E264-M343 HydrophobicContact CB-CB 4.18Å; E264-M343 PolarHBondContact N-O 3.16Å; E264-M343 PolarHBondContact O-N 3.05Å
265K93.3Very high90.4Very high28 Ų2853 Ų5312%0.12227%0.267CS..EExtended strand (participates in β ladder)trans-128.9147.6173.262.5167.7-55.9-59.80112.1F274 K275 R277 F279 Y290 F342K265-F274 WeakPolarHBondContact O-CA 3.38Å; K265-K275 PolarHBondContact N-O 3.38Å; K265-K275 PolarHBondContact O-N 2.8Å; K265-R277 HydrophobicContact CD-CG 4.22Å; K265-R277 HydrophobicContact CG-CG 4.14Å; K265-F279 HydrophobicContact CB-CZ 4.06Å; K265-F279 HydrophobicContact CD-CE1 4.4Å; K265-F279 HydrophobicContact CD-CZ 3.79Å; K265-F279 HydrophobicContact CG-CZ 4Å; K265-Y290 HydrophobicContact CD-CD2 4.34Å; K265-Y290 HydrophobicContact CD-CE2 4.37Å; K265-Y290 HydrophobicContact CD-CG 4.44Å; K265-F342 HydrophobicContact CB-CD1 3.94Å; K265-F342 HydrophobicContact CB-CE1 4.21Å
266T92.2Very high90.9Very high9 Ų955.9 Ų55.96%0.05528%0.277CS..  trans-97.4176.7168.7-173.80000111.8Q270 E272 F274 V341T266-Q270 HydrophobicContact CG2-CB 4.06Å; T266-Q270 HydrophobicContact CG2-CG 4.12Å; T266-E272 PolarHBondContact OG1-O 2.81Å; T266-F274 HydrophobicContact CG2-CE1 4.2Å; T266-F274 HydrophobicContact CG2-CE2 4.38Å; T266-F274 HydrophobicContact CG2-CZ 3.94Å; T266-V341 HydrophobicContact CG2-CB 4.17Å
267G88.9Confident91.8Very high17 Ų1754.9 Ų54.918%0.17527%0.271CS..  trans-84.2-175.5177.200000112.9T269 Q270 E272G267-T269 VanDerWaalsContact C-N 3.3Å; G267-T269 PolarHBondContact O-N 2.77Å; G267-Q270 PolarHBondContact O-N 2.77Å; G267-E272 VanDerWaalsContact CA-CD 3.44Å; G267-E272 WeakPolarHBondContact CA-OE2 3.43Å; G267-E272 PolarHBondContact N-OE2 3Å
268P87.9Confident92.2Very high82 Ų8255.3 Ų55.353%0.53227%0.268SS..THydrogen-bonded Turntrans-63.8-31-175-19.431.2000114.1Q270 E272P268-Q270 VanDerWaalsContact C-N 3.31Å; P268-E272 WeakPolarHBondContact CD-OE1 3.26Å
269T86.3Confident92.6Very high87 Ų8753 Ų5353%0.53426%0.256SS..THydrogen-bonded Turntrans-85.6-9-179.768.90000112.8G267 R271 E272G267-T269 VanDerWaalsContact C-N 3.3Å; G267-T269 PolarHBondContact O-N 2.77Å; T269-R271 PolarHBondContact O-N 2.82Å; T269-R271 PolarHBondContact OG1-N 2.88Å; T269-E272 PolarHBondContact N-OE1 3.49Å; T269-E272 PolarHBondContact N-OE2 3.46Å; T269-E272 PolarHBondContact OG1-OE1 2.77Å; T269-E272 PolarHBondContact OG1-OE2 2.92Å
270Q85.3Confident92.6Very high62 Ų6252.4 Ų52.429%0.2925%0.254SS..SBendtrans59.97.9-174.7-50.8178.812.300114.5T266 G267 P268 E272T266-Q270 HydrophobicContact CG2-CB 4.06Å; T266-Q270 HydrophobicContact CG2-CG 4.12Å; G267-Q270 PolarHBondContact O-N 2.77Å; P268-Q270 VanDerWaalsContact C-N 3.31Å; Q270-E272 PolarHBondContact N-OE2 3.05Å
271R85.8Confident92.6Very high231 Ų23150.7 Ų50.787%0.87225%0.246SC*.  trans-93.7-15.3173.3-61.7179.8-176.8-171.70.6111.3T269T269-R271 PolarHBondContact O-N 2.82Å; T269-R271 PolarHBondContact OG1-N 2.88Å
272E90.7Very high91.9Very high56 Ų5650.8 Ų50.826%0.26225%0.246SC..SBendtrans-69.6148.8177.7-54.287.2165.500110.6T266 G267 P268 T269 Q270 F274T266-E272 PolarHBondContact OG1-O 2.81Å; G267-E272 VanDerWaalsContact CA-CD 3.44Å; G267-E272 WeakPolarHBondContact CA-OE2 3.43Å; G267-E272 PolarHBondContact N-OE2 3Å; P268-E272 WeakPolarHBondContact CD-OE1 3.26Å; T269-E272 PolarHBondContact N-OE1 3.49Å; T269-E272 PolarHBondContact N-OE2 3.46Å; T269-E272 PolarHBondContact OG1-OE1 2.77Å; T269-E272 PolarHBondContact OG1-OE2 2.92Å; Q270-E272 PolarHBondContact N-OE2 3.05Å; E272-F274 PolarHBondContact O-N 2.86Å
273P90.6Very high90.8Very high87 Ų8749 Ų4957%0.56524%0.243SC*.PPolyproline II helixtrans-62.4142.3176.825.6-34.6000111.1
274F92.3Very high89.6Confident25 Ų2552.8 Ų52.811%0.1127%0.266CS..PPolyproline II helixtrans-61.5137.4173.1-83.4-93.8000110.9E264 K265 T266 E272 V341 M343E264-F274 HydrophobicContact CB-CB 4.11Å; E264-F274 HydrophobicContact CB-CD1 3.89Å; E264-F274 HydrophobicContact CB-CG 4.45Å; K265-F274 WeakPolarHBondContact O-CA 3.38Å; T266-F274 HydrophobicContact CG2-CE1 4.2Å; T266-F274 HydrophobicContact CG2-CE2 4.38Å; T266-F274 HydrophobicContact CG2-CZ 3.94Å; E272-F274 PolarHBondContact O-N 2.86Å; F274-V341 HydrophobicContact CE1-CG1 4.22Å; F274-V341 HydrophobicContact CZ-CG1 4Å; F274-M343 HydrophobicContact CD1-CG 3.86Å; F274-M343 HydrophobicContact CE1-CG 3.52Å; F274-M343 HydrophobicContact CE1-SD 4.29Å; F274-M343 HydrophobicContact CZ-CG 4.14Å; F274-M343 HydrophobicContact CZ-SD 4.45Å
275K94Very high88.8Confident112 Ų11254.7 Ų54.749%0.48728%0.276SS..EExtended strand (participates in β ladder)trans-126.5124178.6-63.1-175.9-175.6176.40109.8E264 K265 R277E264-K275 WeakPolarHBondContact CA-O 3.38Å; K265-K275 PolarHBondContact N-O 3.38Å; K265-K275 PolarHBondContact O-N 2.8Å; K275-R277 PolarHBondContact O-N 2.94Å
276K95.3Very high88.6Confident82 Ų8253.4 Ų53.436%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-62.3127171.4-174.4171.9-177.3166.70110.5Y262 E264 W327Y262-K276 HydrophobicContact CD1-CD 4.05Å; Y262-K276 HydrophobicContact CD1-CG 3.64Å; Y262-K276 HydrophobicContact CE1-CD 4.5Å; Y262-K276 HydrophobicContact CE1-CG 4.27Å; Y262-K276 HydrophobicContact CG-CD 4.36Å; Y262-K276 HydrophobicContact CG-CG 4.24Å; E264-K276 HydrophobicContact CG-CB 4.32Å; K276-W327 HydrophobicContact CD-CH2 4.16Å; K276-W327 HydrophobicContact CD-CZ2 4.21Å; K276-W327 HydrophobicContact CG-CH2 4.41Å
277R96.8Very high88.5Confident45 Ų4554.7 Ų54.717%0.1728%0.276CS..EExtended strand (participates in β ladder)trans-137.8146.8178.2-64.7-65.7178.3-99.44.5109.4Y262 M263 K265 K275 F279 Y290 C291Y262-R277 WeakPolarHBondContact CA-O 3.46Å; Y262-R277 WeakPolarHBondContact CD1-O 3.39Å; M263-R277 PolarHBondContact N-O 2.81Å; M263-R277 PolarHBondContact O-N 3.13Å; M263-R277 VanDerWaalsContact O-O 3.11Å; K265-R277 HydrophobicContact CD-CG 4.22Å; K265-R277 HydrophobicContact CG-CG 4.14Å; K275-R277 PolarHBondContact O-N 2.94Å; R277-F279 HydrophobicContact CB-CD2 4.15Å; R277-F279 HydrophobicContact CB-CE2 3.63Å; R277-F279 HydrophobicContact CB-CZ 4.15Å; R277-F279 VanDerWaalsContact O-CD2 3.28Å; R277-F279 WeakPolarHBondContact O-CD2 3.01Å; R277-Y290 HydrophobicContact CG-CD2 4.35Å; R277-C291 WeakPolarHBondContact CA-O 3.33Å; R277-C291 WeakPolarHBondContact CB-O 3.46Å; R277-C291 WeakPolarHBondContact CD-O 3.5Å
278W96.3Very high88.7Confident43 Ų4353.9 Ų53.916%0.16327%0.267CS..EExtended strand (participates in β ladder)trans-81.6130.4167.6-178.8-90.3000108.1E260 Y262 Y290 C291 P294E260-W278 HydrophobicContact CB-CH2 4.46Å; E260-W278 HydrophobicContact CB-CZ2 3.57Å; E260-W278 PolarHBondContact OE1-NE1 3.07Å; Y262-W278 HydrophobicContact CD1-CB 4.25Å; Y262-W278 HydrophobicContact CD1-CE3 4.23Å; Y262-W278 AromaticContact CD2-CE3 3.63Å; Y262-W278 HydrophobicContact CD2-CE3 3.63Å; Y262-W278 AromaticContact CD2-CZ3 3.84Å; Y262-W278 HydrophobicContact CD2-CZ3 3.84Å; Y262-W278 HydrophobicContact CE1-CB 4.05Å; Y262-W278 HydrophobicContact CE1-CE3 4.23Å; Y262-W278 AromaticContact CE2-CE3 3.62Å; Y262-W278 HydrophobicContact CE2-CE3 3.62Å; Y262-W278 AromaticContact CE2-CZ3 3.91Å; Y262-W278 HydrophobicContact CE2-CZ3 3.91Å; Y262-W278 AromaticContact CG-CE3 3.94Å; Y262-W278 HydrophobicContact CG-CE3 3.94Å; Y262-W278 HydrophobicContact CG-CZ3 4.5Å; Y262-W278 AromaticContact CZ-CE3 3.93Å; W278-Y290 CarbonylContact O-C 3.53Å; W278-Y290 WeakPolarHBondContact O-CA 3.23Å; W278-C291 PolarHBondContact N-O 3.45Å; W278-C291 PolarHBondContact O-N 3.33Å; W278-P294 HydrophobicContact CD2-CB 3.72Å; W278-P294 HydrophobicContact CD2-CG 4.45Å; W278-P294 HydrophobicContact CE3-CB 4.14Å; W278-P294 HydrophobicContact CE3-CG 4.43Å; W278-P294 HydrophobicContact CG-CB 3.87Å; W278-P294 HydrophobicContact CZ2-CB 4.46Å
279F96.4Very high89Confident0 Ų050.7 Ų50.70%025%0.245CC..EExtended strand (participates in β ladder)trans-114.3145.6-179.6-73.4-94.9000111E260 G261 M263 K265 R277 L288 L289 Y290 F342 W353E260-F279 WeakPolarHBondContact CA-O 3.41Å; E260-F279 WeakPolarHBondContact CB-O 3.13Å; G261-F279 PolarHBondContact N-O 3.07Å; G261-F279 VanDerWaalsContact N-O 3.14Å; G261-F279 PolarHBondContact O-N 3.03Å; M263-F279 HydrophobicContact CB-CD2 3.71Å; M263-F279 HydrophobicContact CB-CE2 3.59Å; M263-F279 HydrophobicContact CB-CZ 4.5Å; M263-F279 HydrophobicContact CE-CB 3.76Å; M263-F279 HydrophobicContact CE-CD1 3.92Å; M263-F279 HydrophobicContact CE-CD2 3.65Å; M263-F279 HydrophobicContact CE-CE1 4.37Å; M263-F279 HydrophobicContact CE-CE2 4.14Å; M263-F279 HydrophobicContact CE-CG 3.51Å; M263-F279 HydrophobicContact CE-CZ 4.44Å; M263-F279 HydrophobicContact CG-CD2 4.32Å; K265-F279 HydrophobicContact CB-CZ 4.06Å; K265-F279 HydrophobicContact CD-CE1 4.4Å; K265-F279 HydrophobicContact CD-CZ 3.79Å; K265-F279 HydrophobicContact CG-CZ 4Å; R277-F279 HydrophobicContact CB-CD2 4.15Å; R277-F279 HydrophobicContact CB-CE2 3.63Å; R277-F279 HydrophobicContact CB-CZ 4.15Å; R277-F279 VanDerWaalsContact O-CD2 3.28Å; R277-F279 WeakPolarHBondContact O-CD2 3.01Å; F279-L288 HydrophobicContact CB-CD1 3.99Å; F279-L288 HydrophobicContact CD1-CD1 3.76Å; F279-L288 HydrophobicContact CD1-CD2 3.85Å; F279-L288 HydrophobicContact CD1-CG 3.71Å; F279-L288 HydrophobicContact CE1-CD2 4.05Å; F279-L288 HydrophobicContact CE1-CG 4.31Å; F279-L288 HydrophobicContact CG-CD1 4.32Å; F279-L289 VanDerWaalsContact CA-O 3.27Å; F279-L289 WeakPolarHBondContact CA-O 3.41Å; F279-Y290 HydrophobicContact CD1-CD1 4.47Å; F279-Y290 HydrophobicContact CD1-CG 4.46Å; F279-Y290 AromaticContact CE1-CD1 3.95Å; F279-Y290 HydrophobicContact CE1-CD1 3.95Å; F279-Y290 HydrophobicContact CE1-CG 4.04Å; F279-F342 HydrophobicContact CE1-CD1 4.22Å; F279-F342 AromaticContact CE1-CE1 3.74Å; F279-F342 HydrophobicContact CE1-CE1 3.74Å; F279-F342 AromaticContact CZ-CD1 3.87Å; F279-F342 HydrophobicContact CZ-CD1 3.87Å; F279-F342 AromaticContact CZ-CE1 3.79Å; F279-F342 HydrophobicContact CZ-CE1 3.79Å; F279-W353 HydrophobicContact CB-CH2 3.65Å; F279-W353 HydrophobicContact CB-CZ2 3.91Å
280T94Very high89.3Confident15 Ų1548.3 Ų48.39%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-132.7120175-57.30000108.8C257 E260 L289C257-T280 HydrophobicContact CB-CG2 4.35Å; C257-T280 VanDerWaalsContact SG-CG2 3.56Å; E260-T280 HydrophobicContact CG-CG2 3.91Å; E260-T280 WeakPolarHBondContact OE1-CB 3.35Å; E260-T280 WeakPolarHBondContact OE1-CG2 3.44Å; E260-T280 PolarHBondContact OE1-OG1 2.93Å; T280-L289 PolarHBondContact N-O 2.67Å; T280-L289 PolarHBondContact O-N 3.26Å
281L93.3Very high89.8Confident0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans-109.8120.6175.5179.563.3000110.2C257 L258 K259 L288 I305 W353 A356 F357 V360C257-L281 CarbonylContact C-O 3.58Å; C257-L281 WeakPolarHBondContact CA-O 3.49Å; L258-L281 HydrophobicContact CB-CD2 4.48Å; L258-L281 HydrophobicContact CB-CG 4.41Å; L258-L281 HydrophobicContact CD1-CD2 4.37Å; L258-L281 HydrophobicContact CD1-CG 4.4Å; L258-L281 PolarHBondContact N-O 3.1Å; K259-L281 PolarHBondContact N-O 3.09Å; K259-L281 PolarHBondContact O-N 2.82Å; L281-L288 HydrophobicContact CB-CD1 4.02Å; L281-L288 HydrophobicContact CD1-CB 4.24Å; L281-L288 HydrophobicContact CD1-CD1 4.49Å; L281-I305 HydrophobicContact CD1-CD1 3.83Å; L281-W353 HydrophobicContact CB-CZ3 3.92Å; L281-A356 HydrophobicContact CD2-CB 3.86Å; L281-F357 HydrophobicContact CD2-CD1 3.71Å; L281-F357 HydrophobicContact CD2-CE1 3.93Å; L281-V360 HydrophobicContact CD1-CG2 4.39Å; L281-V360 HydrophobicContact CD2-CG2 4.3Å; L281-V360 HydrophobicContact CG-CG2 4.5Å
282C82.3Confident90.2Very high11 Ų1141 Ų417%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-109143.8172.1-64.40000110.1C257C257-C282 VanDerWaalsContact SG-SG 3.61Å
283S72.8Confident90.3Very high32 Ų3240.6 Ų40.622%0.22421%0.205CC..SBendtrans-71.1-40.2178510000112.7N285S283-N285 PolarHBondContact O-N 3.47Å
284V72.3Confident90.4Very high78 Ų7837.6 Ų37.647%0.47319%0.185SC..THydrogen-bonded Turntrans-73.4-29.7-164.4176.80000114.1T255T255-V284 HydrophobicContact CG2-CB 3.85Å; T255-V284 HydrophobicContact CG2-CG1 4.14Å; T255-V284 HydrophobicContact CG2-CG2 3.45Å; T255-V284 VanDerWaalsContact CG2-CG2 3.45Å
285N78.1Confident90.5Very high46 Ų4638.1 Ų38.125%0.24619%0.189CC..THydrogen-bonded Turntrans-109.31.9-178.265.35.8000113.2S283 K287S283-N285 PolarHBondContact O-N 3.47Å; N285-K287 HydrophobicContact CB-CD 4.46Å; N285-K287 WeakPolarHBondContact O-CG 3.23Å; N285-K287 PolarHBondContact O-N 2.83Å; N285-K287 PolarHBondContact OD1-N 3.43Å
286R89.1Confident90.6Very high2 Ų234.9 Ų34.91%0.00818%0.177CC..  trans5029.2-176.8-64.4-179173.5-87.7-3.4113.6F304 I305 V360 Q363 P364 D369R286-F304 HydrophobicContact CB-CD2 4.12Å; R286-F304 HydrophobicContact CB-CE2 3.64Å; R286-F304 HydrophobicContact CB-CZ 4.05Å; R286-F304 CarbonylContact O-C 3.55Å; R286-F304 WeakPolarHBondContact O-CA 3.39Å; R286-I305 WeakPolarHBondContact CB-O 3.44Å; R286-I305 WeakPolarHBondContact CD-O 3.35Å; R286-I305 PolarHBondContact NH1-O 3.45Å; R286-I305 PolarHBondContact O-N 2.93Å; R286-V360 HydrophobicContact CB-CG1 4.37Å; R286-V360 HydrophobicContact CG-CG1 3.97Å; R286-V360 PolarHBondContact NH1-O 2.87Å; R286-Q363 VanDerWaalsContact NH2-C 3.26Å; R286-Q363 VanDerWaalsContact NH2-CB 3.32Å; R286-Q363 PolarHBondContact NH2-O 2.82Å; R286-P364 VanDerWaalsContact NH2-C 3.31Å; R286-P364 PolarHBondContact NH2-O 2.86Å; R286-D369 WeakPolarHBondContact CD-OD1 3.16Å; R286-D369 IonicContact CZ-OD2 2.87Å; R286-D369 VanDerWaalsContact NE-CG 3.31Å; R286-D369 IonicContact NE-OD1 2.94Å; R286-D369 IonicContact NE-OD2 3.55Å; R286-D369 PolarHBondContact NE-OD2 3.43Å
287K89.6Confident90.5Very high36 Ų3631.5 Ų31.516%0.15716%0.164CC..EExtended strand (participates in β ladder)trans-107126.8-179.8-72.2171.1-166.5-179.10110.2N285 L289 V303 L376N285-K287 HydrophobicContact CB-CD 4.46Å; N285-K287 WeakPolarHBondContact O-CG 3.23Å; N285-K287 PolarHBondContact O-N 2.83Å; N285-K287 PolarHBondContact OD1-N 3.43Å; K287-L289 HydrophobicContact CB-CD2 4.09Å; K287-L289 HydrophobicContact CB-CG 4.38Å; K287-V303 CarbonylContact C-O 3.31Å; K287-V303 WeakPolarHBondContact CA-O 3.05Å; K287-L376 HydrophobicContact CD-CD1 4.46Å; K287-L376 HydrophobicContact CG-CD1 4.33Å
288L93.8Very high90.3Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-93.3103.1161.9176.471.3000108.2F279 L281 A302 V303 I305 F342 W353 F357F279-L288 HydrophobicContact CB-CD1 3.99Å; F279-L288 HydrophobicContact CD1-CD1 3.76Å; F279-L288 HydrophobicContact CD1-CD2 3.85Å; F279-L288 HydrophobicContact CD1-CG 3.71Å; F279-L288 HydrophobicContact CE1-CD2 4.05Å; F279-L288 HydrophobicContact CE1-CG 4.31Å; F279-L288 HydrophobicContact CG-CD1 4.32Å; L281-L288 HydrophobicContact CB-CD1 4.02Å; L281-L288 HydrophobicContact CD1-CB 4.24Å; L281-L288 HydrophobicContact CD1-CD1 4.49Å; L288-A302 CarbonylContact O-C 3.58Å; L288-A302 WeakPolarHBondContact O-CA 3.45Å; L288-V303 HydrophobicContact CB-CB 4.21Å; L288-V303 PolarHBondContact N-O 3.26Å; L288-V303 PolarHBondContact O-N 3.39Å; L288-I305 HydrophobicContact CB-CD1 3.88Å; L288-I305 HydrophobicContact CB-CG1 4.47Å; L288-F342 HydrophobicContact CD2-CE1 4.3Å; L288-F342 HydrophobicContact CD2-CE2 4.24Å; L288-F342 HydrophobicContact CD2-CZ 3.72Å; L288-W353 HydrophobicContact CD1-CH2 4.42Å; L288-W353 HydrophobicContact CD1-CZ3 4.04Å; L288-F357 HydrophobicContact CD1-CE1 4.06Å; L288-F357 HydrophobicContact CD1-CZ 4.33Å; L288-F357 HydrophobicContact CD2-CE1 3.88Å; L288-F357 HydrophobicContact CD2-CZ 3.92Å; L288-F357 HydrophobicContact CG-CE1 4.44Å
289L93.1Very high89.9Confident14 Ų1429.4 Ų29.47%0.07316%0.159CC..EExtended strand (participates in β ladder)trans-86.9149179.6-57.4171.7000109.7T209 F279 T280 K287 D299 A302T209-L289 HydrophobicContact CG2-CD1 4.39Å; F279-L289 VanDerWaalsContact CA-O 3.27Å; F279-L289 WeakPolarHBondContact CA-O 3.41Å; T280-L289 PolarHBondContact N-O 2.67Å; T280-L289 PolarHBondContact O-N 3.26Å; K287-L289 HydrophobicContact CB-CD2 4.09Å; K287-L289 HydrophobicContact CB-CG 4.38Å; L289-D299 WeakPolarHBondContact CD1-OD2 3.47Å; L289-D299 WeakPolarHBondContact CD2-OD2 3.5Å; L289-A302 HydrophobicContact CD2-CB 3.62Å
290Y94.6Very high89.7Confident38 Ų3833.5 Ų33.515%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-143.4144.517362.4-95.8000114.6K265 R277 W278 F279 L300 G301 V303K265-Y290 HydrophobicContact CD-CD2 4.34Å; K265-Y290 HydrophobicContact CD-CE2 4.37Å; K265-Y290 HydrophobicContact CD-CG 4.44Å; R277-Y290 HydrophobicContact CG-CD2 4.35Å; W278-Y290 CarbonylContact O-C 3.53Å; W278-Y290 WeakPolarHBondContact O-CA 3.23Å; F279-Y290 HydrophobicContact CD1-CD1 4.47Å; F279-Y290 HydrophobicContact CD1-CG 4.46Å; F279-Y290 AromaticContact CE1-CD1 3.95Å; F279-Y290 HydrophobicContact CE1-CD1 3.95Å; F279-Y290 HydrophobicContact CE1-CG 4.04Å; Y290-L300 HydrophobicContact CD2-CB 3.96Å; Y290-L300 HydrophobicContact CE2-CB 3.82Å; Y290-L300 WeakPolarHBondContact O-CB 3.32Å; Y290-L300 PolarHBondContact O-N 3.46Å; Y290-G301 PolarHBondContact N-O 2.99Å; Y290-G301 PolarHBondContact O-N 3.35Å; Y290-V303 HydrophobicContact CE1-CG2 4.26Å
291C94.5Very high89.4Confident5 Ų533.8 Ų33.83%0.03419%0.186CC..EExtended strand (participates in β ladder)trans-136.7172.2179.756.80000112R277 W278 S293 D296R277-C291 WeakPolarHBondContact CA-O 3.33Å; R277-C291 WeakPolarHBondContact CB-O 3.46Å; R277-C291 WeakPolarHBondContact CD-O 3.5Å; W278-C291 PolarHBondContact N-O 3.45Å; W278-C291 PolarHBondContact O-N 3.33Å; C291-S293 PolarHBondContact SG-O 3.32Å; C291-D296 HydrophobicContact CB-CB 3.92Å
292K93.8Very high89.3Confident134 Ų13435.2 Ų35.258%0.58320%0.198SC*.SBendtrans-74.3-43.1176.4-89.8158.4-171.6-173.30110.1D296 L300K292-D296 WeakPolarHBondContact CA-OD2 3.2Å; K292-D296 WeakPolarHBondContact CB-OD2 3.46Å; K292-D296 PolarHBondContact N-OD2 2.89Å; K292-L300 HydrophobicContact CB-CD1 4.43Å; K292-L300 HydrophobicContact CD-CD1 4.26Å; K292-L300 HydrophobicContact CG-CD1 3.8Å
293S93.2Very high89.7Confident48 Ų4835 Ų3534%0.33620%0.196SC..SBendtrans-130.1142.9-177.8172.60000110.2C291 L295 D296C291-S293 PolarHBondContact SG-O 3.32Å; S293-L295 PolarHBondContact O-N 2.92Å; S293-D296 WeakPolarHBondContact CB-OD1 3.41Å; S293-D296 PolarHBondContact N-OD2 3.27Å; S293-D296 VanDerWaalsContact O-CB 3.3Å; S293-D296 WeakPolarHBondContact O-CB 3.38Å; S293-D296 VanDerWaalsContact O-CG 3.23Å; S293-D296 PolarHBondContact O-N 3.44Å
294P93.6Very high90.6Very high24 Ų2433.8 Ų33.816%0.15619%0.187CC..THydrogen-bonded Turntrans-56.8-21.3179.720.5-33.5000114.6K192 F213 Y262 W278K192-P294 HydrophobicContact CD-CB 4.08Å; K192-P294 HydrophobicContact CG-CB 3.75Å; F213-P294 WeakPolarHBondContact CZ-O 3.39Å; Y262-P294 WeakPolarHBondContact OH-CD 3.39Å; W278-P294 HydrophobicContact CD2-CB 3.72Å; W278-P294 HydrophobicContact CD2-CG 4.45Å; W278-P294 HydrophobicContact CE3-CB 4.14Å; W278-P294 HydrophobicContact CE3-CG 4.43Å; W278-P294 HydrophobicContact CG-CB 3.87Å; W278-P294 HydrophobicContact CZ2-CB 4.46Å
295L94.9Very high91.7Very high36 Ų3630.1 Ų30.119%0.18816%0.164CC..THydrogen-bonded Turntrans-104.816.6179.7-60.4-179.4000113.6K143 K192 I193 F213 S293K143-L295 HydrophobicContact CD-CB 4.32Å; K143-L295 PolarHBondContact NZ-O 3.43Å; K192-L295 HydrophobicContact CD-CD2 4.45Å; K192-L295 HydrophobicContact CG-CD2 4.07Å; I193-L295 HydrophobicContact CG1-CD2 4.09Å; F213-L295 HydrophobicContact CD1-CD2 3.58Å; F213-L295 HydrophobicContact CD2-CB 4.48Å; F213-L295 HydrophobicContact CD2-CD2 4.2Å; F213-L295 HydrophobicContact CE1-CD2 3.63Å; F213-L295 VanDerWaalsContact CE2-C 3.46Å; F213-L295 HydrophobicContact CE2-CB 4.24Å; F213-L295 HydrophobicContact CE2-CD2 4.25Å; F213-L295 WeakPolarHBondContact CE2-O 3.4Å; F213-L295 HydrophobicContact CG-CD2 3.86Å; F213-L295 HydrophobicContact CZ-CB 4.46Å; F213-L295 HydrophobicContact CZ-CD2 3.98Å; S293-L295 PolarHBondContact O-N 2.92Å
296D94.2Very high92.4Very high44 Ų4427.9 Ų27.924%0.23515%0.153CC..  trans-63.3136172-76.1-16.8000110.1C291 K292 S293 M298C291-D296 HydrophobicContact CB-CB 3.92Å; K292-D296 WeakPolarHBondContact CA-OD2 3.2Å; K292-D296 WeakPolarHBondContact CB-OD2 3.46Å; K292-D296 PolarHBondContact N-OD2 2.89Å; S293-D296 WeakPolarHBondContact CB-OD1 3.41Å; S293-D296 PolarHBondContact N-OD2 3.27Å; S293-D296 VanDerWaalsContact O-CB 3.3Å; S293-D296 WeakPolarHBondContact O-CB 3.38Å; S293-D296 VanDerWaalsContact O-CG 3.23Å; S293-D296 PolarHBondContact O-N 3.44Å; D296-M298 VanDerWaalsContact C-N 3.27Å; D296-M298 PolarHBondContact O-N 2.92Å
297A93.4Very high92.7Very high10 Ų1028 Ų288%0.08315%0.153CC..SBendtrans-69.5-27-179.900000112.3R145 R210 N211R145-A297 HydrophobicContact CB-CB 4.48Å; R145-A297 HydrophobicContact CG-CB 3.7Å; R210-A297 CarbonylContact C-O 3.55Å; R210-A297 WeakPolarHBondContact CA-O 3.13Å; R210-A297 VanDerWaalsContact CD-O 3.28Å; R210-A297 WeakPolarHBondContact CD-O 3.34Å; N211-A297 PolarHBondContact N-O 2.99Å
298M92.4Very high92.9Very high33 Ų3332.9 Ų32.916%0.16318%0.177CC..BIsolated β-bridgetrans-132.2143.5-178-70.4-68-133.900110.1E205 R208 R210 D296E205-M298 HydrophobicContact CB-CE 4.2Å; E205-M298 HydrophobicContact CG-CE 4.23Å; E205-M298 WeakPolarHBondContact OE2-CE 3.36Å; R208-M298 HydrophobicContact CB-SD 4.5Å; R210-M298 HydrophobicContact CB-SD 3.82Å; R210-M298 WeakPolarHBondContact CD-SD 3Å; R210-M298 HydrophobicContact CG-SD 4.24Å; D296-M298 VanDerWaalsContact C-N 3.27Å; D296-M298 PolarHBondContact O-N 2.92Å
299D89.7Confident92.9Very high12 Ų1239.9 Ų39.96%0.06421%0.214CC..  trans-70.3149.5171.5-62-32.4000111.4T209 L289T209-D299 WeakPolarHBondContact CB-OD2 3.47Å; T209-D299 PolarHBondContact O-N 3.32Å; T209-D299 PolarHBondContact OG1-OD2 3.5Å; L289-D299 WeakPolarHBondContact CD1-OD2 3.47Å; L289-D299 WeakPolarHBondContact CD2-OD2 3.5Å
300L90.5Very high92.9Very high86 Ų8642.3 Ų42.345%0.4523%0.225SC..SBendtrans-82.8-22.3173.5-68.4179.8000112.8Y290 K292Y290-L300 HydrophobicContact CD2-CB 3.96Å; Y290-L300 HydrophobicContact CE2-CB 3.82Å; Y290-L300 WeakPolarHBondContact O-CB 3.32Å; Y290-L300 PolarHBondContact O-N 3.46Å; K292-L300 HydrophobicContact CB-CD1 4.43Å; K292-L300 HydrophobicContact CD-CD1 4.26Å; K292-L300 HydrophobicContact CG-CD1 3.8Å
301G88.8Confident92.9Very high21 Ų2142.7 Ų42.722%0.21624%0.241CC..EExtended strand (participates in β ladder)trans176.6172.1178.400000111.7Y290Y290-G301 PolarHBondContact N-O 2.99Å; Y290-G301 PolarHBondContact O-N 3.35Å
302A90.3Very high92.9Very high30 Ų3042.9 Ų42.925%0.24824%0.241CC..EExtended strand (participates in β ladder)trans-135.1149.5-177.900000109.8L288 L289 L376L288-A302 CarbonylContact O-C 3.58Å; L288-A302 WeakPolarHBondContact O-CA 3.45Å; L289-A302 HydrophobicContact CD2-CB 3.62Å; A302-L376 HydrophobicContact CB-CD1 3.7Å
303V91.1Very high93.1Very high5 Ų539 Ų393%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-121.6121.7170.6-174.50000107.9K287 L288 Y290 M333 F340K287-V303 CarbonylContact C-O 3.31Å; K287-V303 WeakPolarHBondContact CA-O 3.05Å; L288-V303 HydrophobicContact CB-CB 4.21Å; L288-V303 PolarHBondContact N-O 3.26Å; L288-V303 PolarHBondContact O-N 3.39Å; Y290-V303 HydrophobicContact CE1-CG2 4.26Å; V303-M333 HydrophobicContact CB-CE 4.42Å; V303-M333 HydrophobicContact CG1-CE 3.51Å; V303-F340 HydrophobicContact CB-CE1 4.14Å; V303-F340 HydrophobicContact CB-CZ 3.96Å; V303-F340 HydrophobicContact CG1-CD2 4.29Å; V303-F340 HydrophobicContact CG1-CE1 3.78Å; V303-F340 HydrophobicContact CG1-CE2 3.56Å; V303-F340 HydrophobicContact CG1-CZ 3.22Å; V303-F340 HydrophobicContact CG2-CD1 4.12Å; V303-F340 HydrophobicContact CG2-CE1 3.24Å; V303-F340 HydrophobicContact CG2-CZ 3.51Å
304F92.6Very high93.3Very high8 Ų837.6 Ų37.64%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-76.6137.1171-175.1-97.6000110.1R286 Y312 M365 D369 N372 E373 L376R286-F304 HydrophobicContact CB-CD2 4.12Å; R286-F304 HydrophobicContact CB-CE2 3.64Å; R286-F304 HydrophobicContact CB-CZ 4.05Å; R286-F304 CarbonylContact O-C 3.55Å; R286-F304 WeakPolarHBondContact O-CA 3.39Å; F304-Y312 VanDerWaalsContact O-CE1 3.23Å; F304-Y312 WeakPolarHBondContact O-CE1 3.35Å; F304-M365 HydrophobicContact CE1-CE 3.75Å; F304-M365 HydrophobicContact CE1-SD 4.25Å; F304-M365 HydrophobicContact CZ-CE 3.66Å; F304-M365 HydrophobicContact CZ-SD 4.45Å; F304-D369 HydrophobicContact CZ-CB 4.21Å; F304-N372 HydrophobicContact CE2-CB 4.29Å; F304-E373 HydrophobicContact CD1-CB 3.83Å; F304-E373 HydrophobicContact CD1-CG 3.59Å; F304-E373 HydrophobicContact CD2-CB 4.24Å; F304-E373 HydrophobicContact CE1-CB 3.68Å; F304-E373 HydrophobicContact CE1-CG 3.79Å; F304-E373 HydrophobicContact CE2-CB 4.09Å; F304-E373 HydrophobicContact CG-CB 4.11Å; F304-E373 HydrophobicContact CG-CG 4.11Å; F304-E373 HydrophobicContact CZ-CB 3.83Å; F304-E373 HydrophobicContact CZ-CG 4.44Å; F304-L376 HydrophobicContact CB-CD1 4.3Å; F304-L376 HydrophobicContact CB-CD2 4.31Å
305I93.9Very high93.4Very high0 Ų039 Ų390%023%0.23CC..  trans-121.196.2-179-53.5-175.3000109.2L281 R286 L288 Y312 M333 F357 V360 I361L281-I305 HydrophobicContact CD1-CD1 3.83Å; R286-I305 WeakPolarHBondContact CB-O 3.44Å; R286-I305 WeakPolarHBondContact CD-O 3.35Å; R286-I305 PolarHBondContact NH1-O 3.45Å; R286-I305 PolarHBondContact O-N 2.93Å; L288-I305 HydrophobicContact CB-CD1 3.88Å; L288-I305 HydrophobicContact CB-CG1 4.47Å; I305-Y312 HydrophobicContact CG2-CD1 4.45Å; I305-M333 HydrophobicContact CD1-SD 3.82Å; I305-M333 HydrophobicContact CG1-CE 4.45Å; I305-M333 HydrophobicContact CG1-SD 3.99Å; I305-F357 HydrophobicContact CD1-CD1 3.64Å; I305-F357 HydrophobicContact CD1-CE1 3.73Å; I305-V360 HydrophobicContact CB-CG1 4.2Å; I305-V360 HydrophobicContact CG2-CB 4.47Å; I305-V360 HydrophobicContact CG2-CG1 4.03Å; I305-I361 HydrophobicContact CG2-CD1 4.25Å; I305-I361 HydrophobicContact CG2-CG1 3.64Å
306G93.4Very high93.3Very high0 Ų042.3 Ų42.30%025%0.245CC..  trans-75.9-169.8176.800000113Y312G306-Y312 VanDerWaalsContact N-CD1 3.29Å; G306-Y312 VanDerWaalsContact N-CE1 3.27Å; G306-Y312 WeakPolarHBondContact O-CB 3.37Å
307S94.6Very high92.8Very high3 Ų341.2 Ų41.22%0.02124%0.24CC..  trans-88.7169178.578.20000112.9D309 H310 Y312 I361 Q363S307-D309 VanDerWaalsContact C-N 3.28Å; S307-D309 PolarHBondContact O-N 2.92Å; S307-H310 PolarHBondContact O-N 2.87Å; S307-H310 PolarHBondContact OG-ND1 2.61Å; S307-Y312 WeakPolarHBondContact O-CB 3.07Å; S307-Y312 PolarHBondContact O-N 2.82Å; S307-I361 VanDerWaalsContact CA-O 3.24Å; S307-I361 WeakPolarHBondContact CA-O 3.28Å; S307-I361 WeakPolarHBondContact CB-O 3.32Å; S307-Q363 VanDerWaalsContact CB-O 3.27Å; S307-Q363 WeakPolarHBondContact CB-O 3.36Å
308Q94.6Very high91.5Very high140 Ų14045.8 Ų45.865%0.65427%0.272SS*.G310 helixtrans-55-42.5176.9-173.3171.8-4.400112.8H310 G311 Y312 I361Q308-H310 PolarHBondContact O-N 3.17Å; Q308-H310 VanDerWaalsContact O-N 3.1Å; Q308-G311 PolarHBondContact O-N 2.9Å; Q308-Y312 WeakPolarHBondContact CA-O 3.38Å; Q308-I361 HydrophobicContact CB-CG2 3.98Å; Q308-I361 PolarHBondContact N-O 3.11Å; Q308-I361 VanDerWaalsContact N-O 3.11Å
309D93.3Very high89.8Confident146 Ų14647 Ų4778%0.78129%0.292SS*.G310 helixtrans-64.1-17.3179.3-53.5-39.1000113.1S307S307-D309 VanDerWaalsContact C-N 3.28Å; S307-D309 PolarHBondContact O-N 2.92Å
310H93.8Very high88.1Confident65 Ų6557.7 Ų57.730%0.30133%0.332SS..G310 helixtrans-101.120.5177.9-60.281.5000112.1S307 Q308 Y312 P336 M365 Y370S307-H310 PolarHBondContact O-N 2.87Å; S307-H310 PolarHBondContact OG-ND1 2.61Å; Q308-H310 PolarHBondContact O-N 3.17Å; Q308-H310 VanDerWaalsContact O-N 3.1Å; H310-Y312 HydrophobicContact CB-CD2 4.08Å; H310-Y312 HydrophobicContact CB-CE2 4.29Å; H310-Y312 WeakPolarHBondContact O-CD2 3.46Å; H310-P336 WeakPolarHBondContact O-CG 3.44Å; H310-M365 HydrophobicContact CB-SD 4.42Å; H310-Y370 PolarHBondContact CE1-OH 2.89Å; H310-Y370 AromaticContact NE2-CE1 3.58Å; H310-Y370 AromaticContact NE2-CZ 3.66Å; H310-Y370 PolarHBondContact NE2-OH 2.71Å
311G93.6Very high86.3Confident46 Ų4655.2 Ų55.247%0.47432%0.321SS..THydrogen-bonded Turntrans76.421.6174.800000114.4Q308Q308-G311 PolarHBondContact O-N 2.9Å
312Y96.2Very high84.8Confident9 Ų957.9 Ų57.94%0.03533%0.329CS..  trans-94.7131.3172.1-70.3-98.8000110.7F304 I305 G306 S307 Q308 H310 E334 T335 P336 I361 E373F304-Y312 VanDerWaalsContact O-CE1 3.23Å; F304-Y312 WeakPolarHBondContact O-CE1 3.35Å; I305-Y312 HydrophobicContact CG2-CD1 4.45Å; G306-Y312 VanDerWaalsContact N-CD1 3.29Å; G306-Y312 VanDerWaalsContact N-CE1 3.27Å; G306-Y312 WeakPolarHBondContact O-CB 3.37Å; S307-Y312 WeakPolarHBondContact O-CB 3.07Å; S307-Y312 PolarHBondContact O-N 2.82Å; Q308-Y312 WeakPolarHBondContact CA-O 3.38Å; H310-Y312 HydrophobicContact CB-CD2 4.08Å; H310-Y312 HydrophobicContact CB-CE2 4.29Å; H310-Y312 WeakPolarHBondContact O-CD2 3.46Å; Y312-E334 WeakPolarHBondContact CA-O 3.39Å; Y312-T335 HydrophobicContact CD1-CG2 3.78Å; Y312-T335 HydrophobicContact CE1-CG2 3.5Å; Y312-T335 VanDerWaalsContact CE1-CG2 3.5Å; Y312-P336 HydrophobicContact CD2-CG 4.49Å; Y312-P336 VanDerWaalsContact CE2-CD 3.48Å; Y312-P336 HydrophobicContact CE2-CG 3.98Å; Y312-I361 WeakPolarHBondContact O-CG2 3.44Å; Y312-E373 PolarHBondContact OH-OE1 3.02Å
313S96.8Very high83.1Confident53 Ų5367.8 Ų67.837%0.37136%0.36SS..EExtended strand (participates in β ladder)trans-149.7162.217473.80000110.9M333 E334S313-M333 CarbonylContact O-C 3.55Å; S313-M333 WeakPolarHBondContact O-CA 3.49Å; S313-E334 PolarHBondContact N-O 2.77Å; S313-E334 PolarHBondContact O-N 2.98Å; S313-E334 WeakPolarHBondContact OG-CB 3.48Å
314V96.9Very high81.7Confident18 Ų1871.2 Ų71.211%0.10938%0.384CS..EExtended strand (participates in β ladder)trans-136.2130.5176.973.50000110.1I331 T332 M333 M354 F357 R358 I361V314-I331 HydrophobicContact CG2-CG2 3.48Å; V314-I331 VanDerWaalsContact CG2-CG2 3.48Å; V314-T332 CarbonylContact C-O 3.56Å; V314-T332 WeakPolarHBondContact CA-O 3.41Å; V314-T332 WeakPolarHBondContact CG2-O 3.49Å; V314-M333 HydrophobicContact CG2-CB 4.45Å; V314-M354 HydrophobicContact CB-CE 4.45Å; V314-M354 HydrophobicContact CB-SD 4.38Å; V314-M354 HydrophobicContact CG1-CE 3.98Å; V314-M354 HydrophobicContact CG1-SD 4.23Å; V314-M354 HydrophobicContact CG2-CE 4.08Å; V314-M354 HydrophobicContact CG2-SD 3.44Å; V314-M354 WeakPolarHBondContact CG2-SD 3.36Å; V314-F357 HydrophobicContact CB-CB 4.27Å; V314-F357 HydrophobicContact CG1-CB 3.99Å; V314-F357 HydrophobicContact CG2-CB 4.23Å; V314-F357 HydrophobicContact CG2-CD2 3.93Å; V314-F357 HydrophobicContact CG2-CG 4.42Å; V314-R358 HydrophobicContact CG1-CG 3.67Å; V314-I361 HydrophobicContact CB-CD1 4.1Å; V314-I361 HydrophobicContact CG1-CD1 4.15Å
315S95.7Very high80.3Confident54 Ų5472.1 Ų72.138%0.37840%0.395SS..EExtended strand (participates in β ladder)trans-138.7165.1-178.668.30000111.3T332S315-T332 PolarHBondContact N-O 3.06Å; S315-T332 PolarHBondContact O-N 2.65Å
316E94.2Very high79.6Confident106 Ų10682.1 Ų82.150%0.49543%0.433SS..EExtended strand (participates in β ladder)trans-71.1137.7170.4-56.4-167.6-177.900109.9S318 R350 M354E316-S318 PolarHBondContact O-N 3.47Å; E316-R350 VanDerWaalsContact CB-NH1 3.26Å; E316-R350 IonicContact OE1-CZ 2.67Å; E316-R350 IonicContact OE1-NH1 2.95Å; E316-R350 IonicContact OE1-NH2 3.46Å; E316-R350 PolarHBondContact OE1-NH2 2.63Å; E316-R350 IonicContact OE2-CZ 3.02Å; E316-R350 VanDerWaalsContact OE2-CZ 3.26Å; E316-R350 IonicContact OE2-NH1 3.96Å; E316-R350 PolarHBondContact OE2-NH1 3.39Å; E316-R350 IonicContact OE2-NH2 3.04Å; E316-R350 PolarHBondContact OE2-NH2 2.82Å; E316-M354 HydrophobicContact CG-CE 4.48Å
317S83Confident79.4Confident20 Ų2083.1 Ų83.114%0.1444%0.437CS..PPolyproline II helixtrans-74.2124.6179.3-56.70000111G330 I331 T332S317-G330 PolarHBondContact N-O 3.27Å; S317-G330 VanDerWaalsContact N-O 3.09Å; S317-G330 VanDerWaalsContact OG-C 3.25Å; S317-I331 PolarHBondContact OG-N 2.7Å; S317-I331 PolarHBondContact OG-O 3.47Å; S317-T332 PolarHBondContact OG-N 3.01Å; S317-T332 PolarHBondContact OG-OG1 2.89Å
318S65.7Low79Confident107 Ų10788.7 Ų88.775%0.74846%0.463SS*.PPolyproline II helixtrans-77.8142.1172.1-32.60000110.7E316 R320E316-S318 PolarHBondContact O-N 3.47Å; S318-R320 PolarHBondContact O-N 2.65Å
319G57.3Low78.9Confident57 Ų5782.4 Ų82.459%0.58843%0.434SS*.THydrogen-bonded Turntrans-56.77.9-159.900000120.7
320R54.1Low78.8Confident238 Ų23875.7 Ų75.790%0.89840%0.399SS*.THydrogen-bonded Turntrans-78-24.5175.4-73.2-173.4179.8-161.20.7113.8S318S318-R320 PolarHBondContact O-N 2.65Å
321C52.5Low78.9Confident33 Ų3372.6 Ų72.622%0.22339%0.385CS..SBendtrans-92.74.7-175.8-153.40000114.7R323C321-R323 PolarHBondContact O-N 3.06Å
322M56.7Low79Confident78 Ų7871 Ų7138%0.38437%0.366SS..  trans-876-169.7-60.6-172.370.500115.1S324 H328 M343M322-S324 VanDerWaalsContact C-N 3.3Å; M322-S324 PolarHBondContact O-N 3.35Å; M322-S324 VanDerWaalsContact O-N 3.11Å; M322-H328 HydrophobicContact CE-CB 3.62Å; M322-H328 WeakPolarHBondContact CE-O 3.08Å; M322-M343 HydrophobicContact CE-CE 4.14Å; M322-M343 HydrophobicContact CG-CE 4.37Å
323R55.9Low79Confident238 Ų23870.6 Ų70.690%0.89836%0.364SS*.THydrogen-bonded Turntrans-797.8-161.7-72.5-172174-174.1-2.1116.7C321C321-R323 PolarHBondContact O-N 3.06Å
324S61.4Low78.9Confident77 Ų7771.2 Ų71.254%0.53836%0.361SS..THydrogen-bonded Turntrans-157.910.6178.5900000117.4M322M322-S324 VanDerWaalsContact C-N 3.3Å; M322-S324 PolarHBondContact O-N 3.35Å; M322-S324 VanDerWaalsContact O-N 3.11Å
325G62.8Low78.8Confident26 Ų2670.9 Ų70.927%0.26836%0.359SS..  trans-91.5152.6175.400000111.5E264E264-G325 WeakPolarHBondContact OE2-CA 3.45Å
326R80.3Confident78.6Confident210 Ų21072.1 Ų72.179%0.79237%0.366SS*.SBendtrans-73.2-26.2167.7-81.7-172.9-82.8-164-11.2111.2E264E264-R326 IonicContact OE1-NE 3.34Å; E264-R326 PolarHBondContact OE2-N 3.32Å
327W88.9Confident78.3Confident22 Ų2271.1 Ų71.18%0.08337%0.371CS..  trans-101.6145.9-175.5-70.4-8.8000111Y262 E264 K276 M343 C344 E345Y262-W327 VanDerWaalsContact CB-CH2 3.48Å; Y262-W327 WeakPolarHBondContact O-CZ3 3.49Å; E264-W327 HydrophobicContact CB-CE3 4.47Å; E264-W327 HydrophobicContact CG-CB 4.43Å; E264-W327 HydrophobicContact CG-CD2 3.94Å; E264-W327 HydrophobicContact CG-CE3 3.7Å; E264-W327 HydrophobicContact CG-CG 4.29Å; E264-W327 HydrophobicContact CG-CZ3 4.4Å; E264-W327 PolarHBondContact OE2-N 3.01Å; K276-W327 HydrophobicContact CD-CH2 4.16Å; K276-W327 HydrophobicContact CD-CZ2 4.21Å; K276-W327 HydrophobicContact CG-CH2 4.41Å; W327-M343 HydrophobicContact CB-CB 3.75Å; W327-M343 WeakPolarHBondContact O-CE 3.49Å; W327-C344 WeakPolarHBondContact CB-O 3.44Å; W327-E345 HydrophobicContact CD2-CB 3.87Å; W327-E345 HydrophobicContact CE3-CB 4.33Å; W327-E345 HydrophobicContact CG-CB 4.23Å; W327-E345 HydrophobicContact CH2-CB 4.17Å; W327-E345 HydrophobicContact CZ2-CB 3.75Å; W327-E345 HydrophobicContact CZ2-CG 4.18Å; W327-E345 WeakPolarHBondContact CZ2-OE2 3.43Å; W327-E345 HydrophobicContact CZ3-CB 4.45Å; W327-E345 PolarHBondContact NE1-OE1 3.47Å
328H86.3Confident78.7Confident120 Ų12073.3 Ų73.356%0.55638%0.376SS*.  trans-119.4-14.6-16656.4-83.5000113.9M322 G330 M343M322-H328 HydrophobicContact CE-CB 3.62Å; M322-H328 WeakPolarHBondContact CE-O 3.08Å; H328-G330 PolarHBondContact O-N 3.43Å; H328-G330 VanDerWaalsContact O-N 3.11Å; H328-M343 VanDerWaalsContact C-CE 3.49Å; H328-M343 WeakPolarHBondContact O-CE 3.42Å
329C91.2Very high80Confident8 Ų871.4 Ų71.45%0.05436%0.355CS..EExtended strand (participates in β ladder)trans-8489.3178.1-67.60000110.3C344 E347 R350C329-C344 HydrophobicContact CB-CB 4.07Å; C329-C344 WeakPolarHBondContact CB-O 3.17Å; C329-C344 PolarHBondContact N-O 3.42Å; C329-C344 PolarHBondContact O-N 2.92Å; C329-E347 PolarHBondContact SG-N 3.33Å; C329-E347 VanDerWaalsContact SG-N 3.44Å; C329-E347 PolarHBondContact SG-OE2 3.01Å; C329-R350 HydrophobicContact CB-CB 3.97Å; C329-R350 HydrophobicContact CB-CG 4.36Å
330G92Very high81.8Confident4 Ų469.2 Ų69.24%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-85140.1-171.400000115.7S317 H328 F342S317-G330 PolarHBondContact N-O 3.27Å; S317-G330 VanDerWaalsContact N-O 3.09Å; S317-G330 VanDerWaalsContact OG-C 3.25Å; H328-G330 PolarHBondContact O-N 3.43Å; H328-G330 VanDerWaalsContact O-N 3.11Å; G330-F342 CarbonylContact C-O 3.56Å; G330-F342 WeakPolarHBondContact CA-O 3.41Å
331I95.6Very high83.7Confident0 Ų058.1 Ų58.10%029%0.288CS..EExtended strand (participates in β ladder)trans-121132.3171.6-58.6175.2000108.8V314 S317 F342 R350 W353 M354 F357V314-I331 HydrophobicContact CG2-CG2 3.48Å; V314-I331 VanDerWaalsContact CG2-CG2 3.48Å; S317-I331 PolarHBondContact OG-N 2.7Å; S317-I331 PolarHBondContact OG-O 3.47Å; I331-F342 HydrophobicContact CB-CB 4.32Å; I331-F342 HydrophobicContact CG2-CD2 4.37Å; I331-F342 PolarHBondContact N-O 2.64Å; I331-F342 PolarHBondContact O-N 2.77Å; I331-R350 HydrophobicContact CD1-CG 3.95Å; I331-R350 HydrophobicContact CG1-CG 3.61Å; I331-W353 HydrophobicContact CD1-CB 3.56Å; I331-W353 HydrophobicContact CD1-CG 4.44Å; I331-M354 HydrophobicContact CB-SD 4.27Å; I331-M354 HydrophobicContact CD1-CG 4.09Å; I331-M354 HydrophobicContact CD1-SD 4.3Å; I331-M354 HydrophobicContact CG1-CG 4.14Å; I331-M354 HydrophobicContact CG1-SD 3.97Å; I331-M354 HydrophobicContact CG2-SD 3.58Å; I331-M354 VanDerWaalsContact CG2-SD 3.58Å; I331-F357 HydrophobicContact CD1-CE2 4.38Å; I331-F357 HydrophobicContact CG2-CD2 4.39Å; I331-F357 HydrophobicContact CG2-CE2 4.29Å
332T95.4Very high85.7Confident14 Ų1456.6 Ų56.69%0.08628%0.278CS..EExtended strand (participates in β ladder)trans-110.9124.8170.6-62.30000109.2V314 S315 S317 Q339 F340V314-T332 CarbonylContact C-O 3.56Å; V314-T332 WeakPolarHBondContact CA-O 3.41Å; V314-T332 WeakPolarHBondContact CG2-O 3.49Å; S315-T332 PolarHBondContact N-O 3.06Å; S315-T332 PolarHBondContact O-N 2.65Å; S317-T332 PolarHBondContact OG-N 3.01Å; S317-T332 PolarHBondContact OG-OG1 2.89Å; T332-Q339 HydrophobicContact CG2-CG 3.5Å; T332-Q339 VanDerWaalsContact CG2-CG 3.5Å; T332-F340 WeakPolarHBondContact CA-O 3.18Å
333M95.9Very high87.5Confident0 Ų053 Ų530%026%0.26CS..EExtended strand (participates in β ladder)trans-114.7114.9174.6178.2175.671.900109.5V303 I305 S313 V314 T335 F340 F342V303-M333 HydrophobicContact CB-CE 4.42Å; V303-M333 HydrophobicContact CG1-CE 3.51Å; I305-M333 HydrophobicContact CD1-SD 3.82Å; I305-M333 HydrophobicContact CG1-CE 4.45Å; I305-M333 HydrophobicContact CG1-SD 3.99Å; S313-M333 CarbonylContact O-C 3.55Å; S313-M333 WeakPolarHBondContact O-CA 3.49Å; V314-M333 HydrophobicContact CG2-CB 4.45Å; M333-T335 HydrophobicContact CE-CG2 4.45Å; M333-T335 HydrophobicContact CG-CG2 4.45Å; M333-F340 HydrophobicContact CB-CB 4.26Å; M333-F340 HydrophobicContact CE-CB 4.11Å; M333-F340 HydrophobicContact CE-CD2 3.85Å; M333-F340 HydrophobicContact CE-CE2 4.31Å; M333-F340 HydrophobicContact CE-CG 3.95Å; M333-F340 PolarHBondContact N-O 2.88Å; M333-F340 PolarHBondContact O-N 3.35Å; M333-F342 HydrophobicContact CB-CE2 4.09Å; M333-F342 HydrophobicContact CE-CE2 3.88Å; M333-F342 HydrophobicContact CE-CZ 3.98Å
334E95.6Very high89.4Confident65 Ų6541.6 Ų41.630%0.30422%0.217SC..EExtended strand (participates in β ladder)trans-82.8138.5174.5-61.1-65.4176.800110.3Y312 S313 Q339Y312-E334 WeakPolarHBondContact CA-O 3.39Å; S313-E334 PolarHBondContact N-O 2.77Å; S313-E334 PolarHBondContact O-N 2.98Å; S313-E334 WeakPolarHBondContact OG-CB 3.48Å; E334-Q339 PolarHBondContact OE1-NE2 2.88Å; E334-Q339 WeakPolarHBondContact OE2-CB 3.27Å; E334-Q339 WeakPolarHBondContact OE2-CG 3.41Å
335T93.8Very high90.9Very high12 Ų1242.3 Ų42.37%0.07421%0.212CC..  trans-136.9159.3169.978.60000108.4Y312 M333 S337 R338 F340Y312-T335 HydrophobicContact CD1-CG2 3.78Å; Y312-T335 HydrophobicContact CE1-CG2 3.5Å; Y312-T335 VanDerWaalsContact CE1-CG2 3.5Å; M333-T335 HydrophobicContact CE-CG2 4.45Å; M333-T335 HydrophobicContact CG-CG2 4.45Å; T335-S337 PolarHBondContact O-N 2.9Å; T335-S337 PolarHBondContact OG1-N 2.94Å; T335-S337 PolarHBondContact OG1-OG 3.34Å; T335-R338 WeakPolarHBondContact CB-O 3.42Å; T335-R338 PolarHBondContact N-O 3.48Å; T335-R338 PolarHBondContact O-N 3.44Å; T335-R338 PolarHBondContact OG1-N 2.98Å; T335-R338 VanDerWaalsContact OG1-N 3.16Å; T335-R338 PolarHBondContact OG1-O 3.2Å; T335-F340 HydrophobicContact CG2-CD2 3.86Å; T335-F340 HydrophobicContact CG2-CE2 3.76Å
336P92.2Very high92.4Very high79 Ų7946.6 Ų46.651%0.51323%0.225SC..SBendtrans-56.1-24.6178.9-30.337.8000115.1H310 Y312H310-P336 WeakPolarHBondContact O-CG 3.44Å; Y312-P336 HydrophobicContact CD2-CG 4.49Å; Y312-P336 VanDerWaalsContact CE2-CD 3.48Å; Y312-P336 HydrophobicContact CE2-CG 3.98Å
337S88.3Confident93.1Very high85 Ų8540.2 Ų40.259%0.59420%0.204SC*.SBendtrans-101.6-28.6-174.364.80000114.2T335T335-S337 PolarHBondContact O-N 2.9Å; T335-S337 PolarHBondContact OG1-N 2.94Å; T335-S337 PolarHBondContact OG1-OG 3.34Å
338R91.1Very high93.4Very high67 Ų6743.2 Ų43.225%0.25322%0.219SC..  trans-168.4158.5178.869.4177.6-172.8-162.5-5112.2T335 F340T335-R338 WeakPolarHBondContact CB-O 3.42Å; T335-R338 PolarHBondContact N-O 3.48Å; T335-R338 PolarHBondContact O-N 3.44Å; T335-R338 PolarHBondContact OG1-N 2.98Å; T335-R338 VanDerWaalsContact OG1-N 3.16Å; T335-R338 PolarHBondContact OG1-O 3.2Å; R338-F340 HydrophobicContact CG-CD2 3.93Å; R338-F340 HydrophobicContact CG-CE2 3.54Å; R338-F340 HydrophobicContact CG-CZ 4.11Å; R338-F340 VanDerWaalsContact CZ-CE1 3.43Å; R338-F340 VanDerWaalsContact NE-CE2 3.29Å
339Q93.3Very high93.8Very high66 Ų6640 Ų4031%0.30820%0.204SC..EExtended strand (participates in β ladder)trans-85.5136166.2-171.4-175.475.600110.5T332 E334T332-Q339 HydrophobicContact CG2-CG 3.5Å; T332-Q339 VanDerWaalsContact CG2-CG 3.5Å; E334-Q339 PolarHBondContact OE1-NE2 2.88Å; E334-Q339 WeakPolarHBondContact OE2-CB 3.27Å; E334-Q339 WeakPolarHBondContact OE2-CG 3.41Å
340F94.4Very high94Very high12 Ų1240.9 Ų40.95%0.05321%0.206CC..EExtended strand (participates in β ladder)trans-108.3136.4171.2-70.4-103.7000110.3V303 T332 M333 T335 R338 F342V303-F340 HydrophobicContact CB-CE1 4.14Å; V303-F340 HydrophobicContact CB-CZ 3.96Å; V303-F340 HydrophobicContact CG1-CD2 4.29Å; V303-F340 HydrophobicContact CG1-CE1 3.78Å; V303-F340 HydrophobicContact CG1-CE2 3.56Å; V303-F340 HydrophobicContact CG1-CZ 3.22Å; V303-F340 HydrophobicContact CG2-CD1 4.12Å; V303-F340 HydrophobicContact CG2-CE1 3.24Å; V303-F340 HydrophobicContact CG2-CZ 3.51Å; T332-F340 WeakPolarHBondContact CA-O 3.18Å; M333-F340 HydrophobicContact CB-CB 4.26Å; M333-F340 HydrophobicContact CE-CB 4.11Å; M333-F340 HydrophobicContact CE-CD2 3.85Å; M333-F340 HydrophobicContact CE-CE2 4.31Å; M333-F340 HydrophobicContact CE-CG 3.95Å; M333-F340 PolarHBondContact N-O 2.88Å; M333-F340 PolarHBondContact O-N 3.35Å; T335-F340 HydrophobicContact CG2-CD2 3.86Å; T335-F340 HydrophobicContact CG2-CE2 3.76Å; R338-F340 HydrophobicContact CG-CD2 3.93Å; R338-F340 HydrophobicContact CG-CE2 3.54Å; R338-F340 HydrophobicContact CG-CZ 4.11Å; R338-F340 VanDerWaalsContact CZ-CE1 3.43Å; R338-F340 VanDerWaalsContact NE-CE2 3.29Å; F340-F342 HydrophobicContact CB-CE1 4.42Å; F340-F342 HydrophobicContact CB-CE2 3.82Å; F340-F342 HydrophobicContact CB-CZ 3.7Å; F340-F342 HydrophobicContact CD1-CE1 4.39Å; F340-F342 AromaticContact CD1-CZ 3.96Å; F340-F342 HydrophobicContact CD1-CZ 3.96Å; F340-F342 HydrophobicContact CG-CZ 4.15Å
341V93.9Very high94.3Very high5 Ų547.3 Ų47.33%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-117.6123.3174.8-174.70000109.2T266 F274 M343T266-V341 HydrophobicContact CG2-CB 4.17Å; F274-V341 HydrophobicContact CE1-CG1 4.22Å; F274-V341 HydrophobicContact CZ-CG1 4Å; V341-M343 HydrophobicContact CG1-SD 4.38Å
342F95.2Very high94.3Very high0 Ų050.9 Ų50.90%025%0.246CC..EExtended strand (participates in β ladder)trans-117.4146.7175.6-49.6-69.8000110.3M263 E264 K265 F279 L288 G330 I331 M333 F340 F357M263-F342 HydrophobicContact CB-CB 4.37Å; M263-F342 HydrophobicContact CE-CG 4.48Å; M263-F342 HydrophobicContact SD-CB 3.86Å; M263-F342 HydrophobicContact SD-CG 4.23Å; E264-F342 CarbonylContact O-C 3.47Å; E264-F342 WeakPolarHBondContact O-CA 3.3Å; K265-F342 HydrophobicContact CB-CD1 3.94Å; K265-F342 HydrophobicContact CB-CE1 4.21Å; F279-F342 HydrophobicContact CE1-CD1 4.22Å; F279-F342 AromaticContact CE1-CE1 3.74Å; F279-F342 HydrophobicContact CE1-CE1 3.74Å; F279-F342 AromaticContact CZ-CD1 3.87Å; F279-F342 HydrophobicContact CZ-CD1 3.87Å; F279-F342 AromaticContact CZ-CE1 3.79Å; F279-F342 HydrophobicContact CZ-CE1 3.79Å; L288-F342 HydrophobicContact CD2-CE1 4.3Å; L288-F342 HydrophobicContact CD2-CE2 4.24Å; L288-F342 HydrophobicContact CD2-CZ 3.72Å; G330-F342 CarbonylContact C-O 3.56Å; G330-F342 WeakPolarHBondContact CA-O 3.41Å; I331-F342 HydrophobicContact CB-CB 4.32Å; I331-F342 HydrophobicContact CG2-CD2 4.37Å; I331-F342 PolarHBondContact N-O 2.64Å; I331-F342 PolarHBondContact O-N 2.77Å; M333-F342 HydrophobicContact CB-CE2 4.09Å; M333-F342 HydrophobicContact CE-CE2 3.88Å; M333-F342 HydrophobicContact CE-CZ 3.98Å; F340-F342 HydrophobicContact CB-CE1 4.42Å; F340-F342 HydrophobicContact CB-CE2 3.82Å; F340-F342 HydrophobicContact CB-CZ 3.7Å; F340-F342 HydrophobicContact CD1-CE1 4.39Å; F340-F342 AromaticContact CD1-CZ 3.96Å; F340-F342 HydrophobicContact CD1-CZ 3.96Å; F340-F342 HydrophobicContact CG-CZ 4.15Å; F342-F357 HydrophobicContact CE2-CZ 4.42Å
343M94.4Very high94.4Very high2 Ų250.3 Ų50.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-119.2137.9170.4-50.6-58.8-67.700109.1M263 E264 F274 M322 W327 H328 V341M263-M343 CarbonylContact C-O 3.56Å; M263-M343 VanDerWaalsContact CA-O 3.3Å; M263-M343 WeakPolarHBondContact CA-O 3.39Å; M263-M343 WeakPolarHBondContact CB-O 3.3Å; E264-M343 HydrophobicContact CB-CB 4.18Å; E264-M343 PolarHBondContact N-O 3.16Å; E264-M343 PolarHBondContact O-N 3.05Å; F274-M343 HydrophobicContact CD1-CG 3.86Å; F274-M343 HydrophobicContact CE1-CG 3.52Å; F274-M343 HydrophobicContact CE1-SD 4.29Å; F274-M343 HydrophobicContact CZ-CG 4.14Å; F274-M343 HydrophobicContact CZ-SD 4.45Å; M322-M343 HydrophobicContact CE-CE 4.14Å; M322-M343 HydrophobicContact CG-CE 4.37Å; W327-M343 HydrophobicContact CB-CB 3.75Å; W327-M343 WeakPolarHBondContact O-CE 3.49Å; H328-M343 VanDerWaalsContact C-CE 3.49Å; H328-M343 WeakPolarHBondContact O-CE 3.42Å; V341-M343 HydrophobicContact CG1-SD 4.38Å
344C94.7Very high94.5Very high0 Ų050.4 Ų50.40%024%0.243CC..EExtended strand (participates in β ladder)trans-108.5154173.7-55.60000110.2W327 C329 E349 R350W327-C344 WeakPolarHBondContact CB-O 3.44Å; C329-C344 HydrophobicContact CB-CB 4.07Å; C329-C344 WeakPolarHBondContact CB-O 3.17Å; C329-C344 PolarHBondContact N-O 3.42Å; C329-C344 PolarHBondContact O-N 2.92Å; C344-E349 HydrophobicContact CB-CB 4.22Å; C344-R350 HydrophobicContact CB-CB 4.15Å
345E93.3Very high94.5Very high92 Ų9253.7 Ų53.743%0.4326%0.258SS..SBendtrans-71.7-40.1179.8-171.8151.6-130.200111.5W327 E349W327-E345 HydrophobicContact CD2-CB 3.87Å; W327-E345 HydrophobicContact CE3-CB 4.33Å; W327-E345 HydrophobicContact CG-CB 4.23Å; W327-E345 HydrophobicContact CH2-CB 4.17Å; W327-E345 HydrophobicContact CZ2-CB 3.75Å; W327-E345 HydrophobicContact CZ2-CG 4.18Å; W327-E345 WeakPolarHBondContact CZ2-OE2 3.43Å; W327-E345 HydrophobicContact CZ3-CB 4.45Å; W327-E345 PolarHBondContact NE1-OE1 3.47Å; E345-E349 PolarHBondContact N-OE2 3.42Å
346Q94.3Very high94.6Very high116 Ų11653.5 Ų53.554%0.54226%0.258SS..SBendtrans-125.8153-175.7-56.9-175.71.700112.2Q348 E349 R350Q346-Q348 VanDerWaalsContact C-N 3.28Å; Q346-Q348 PolarHBondContact O-N 2.83Å; Q346-E349 HydrophobicContact CB-CG 4.27Å; Q346-E349 PolarHBondContact O-N 3.23Å; Q346-R350 PolarHBondContact O-N 3.29Å; Q346-R350 VanDerWaalsContact O-N 3.09Å
347E94.4Very high94.9Very high76 Ų7649.8 Ų49.836%0.35523%0.234SC..Hα-helixtrans-64.1-34.9178.8-174.548.3-137.300112.5C329 R350 R351C329-E347 PolarHBondContact SG-N 3.33Å; C329-E347 VanDerWaalsContact SG-N 3.44Å; C329-E347 PolarHBondContact SG-OE2 3.01Å; E347-R350 VanDerWaalsContact CD-NE 3.26Å; E347-R350 WeakPolarHBondContact O-CB 3.39Å; E347-R350 PolarHBondContact O-N 2.9Å; E347-R350 IonicContact OE1-CZ 2.86Å; E347-R350 IonicContact OE1-NE 3.65Å; E347-R350 PolarHBondContact OE1-NE 3.05Å; E347-R350 IonicContact OE1-NH2 3.1Å; E347-R350 PolarHBondContact OE1-NH2 3.24Å; E347-R350 IonicContact OE2-CZ 3.86Å; E347-R350 IonicContact OE2-NE 3.65Å; E347-R350 PolarHBondContact OE2-NE 3.09Å; E347-R350 IonicContact OE2-NH2 2.89Å; E347-R351 PolarHBondContact O-N 2.85Å
348Q95.7Very high95.2Very high85 Ų8551.9 Ų51.940%0.39723%0.229SC..Hα-helixtrans-63.2-45.9174.8-179.258.230.300111.6Q346 R350 R351 E352Q346-Q348 VanDerWaalsContact C-N 3.28Å; Q346-Q348 PolarHBondContact O-N 2.83Å; Q348-R350 VanDerWaalsContact C-N 3.29Å; Q348-R350 PolarHBondContact O-N 3.44Å; Q348-R351 WeakPolarHBondContact O-CB 3.42Å; Q348-R351 PolarHBondContact O-N 2.96Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.3Å; Q348-E352 PolarHBondContact NE2-OE1 3.04Å; Q348-E352 WeakPolarHBondContact O-CG 3.45Å; Q348-E352 PolarHBondContact O-N 3.14Å
349E95.6Very high95.4Very high51 Ų5154.2 Ų54.224%0.23824%0.24CC..Hα-helixtrans-61.4-40.2176.4-65.8-176.2146.600111.6C344 E345 Q346 E352 W353C344-E349 HydrophobicContact CB-CB 4.22Å; E345-E349 PolarHBondContact N-OE2 3.42Å; Q346-E349 HydrophobicContact CB-CG 4.27Å; Q346-E349 PolarHBondContact O-N 3.23Å; E349-E352 PolarHBondContact O-N 3.5Å; E349-W353 WeakPolarHBondContact O-CB 3.28Å; E349-W353 PolarHBondContact O-N 2.96Å
350R95.9Very high95.4Very high28 Ų2851 Ų5111%0.10623%0.226CC..Hα-helixtrans-58.3-49.3175.7-172.5-174.971.11337.1110.9E316 C329 I331 C344 Q346 E347 Q348 E352 W353 M354E316-R350 VanDerWaalsContact CB-NH1 3.26Å; E316-R350 IonicContact OE1-CZ 2.67Å; E316-R350 IonicContact OE1-NH1 2.95Å; E316-R350 IonicContact OE1-NH2 3.46Å; E316-R350 PolarHBondContact OE1-NH2 2.63Å; E316-R350 IonicContact OE2-CZ 3.02Å; E316-R350 VanDerWaalsContact OE2-CZ 3.26Å; E316-R350 IonicContact OE2-NH1 3.96Å; E316-R350 PolarHBondContact OE2-NH1 3.39Å; E316-R350 IonicContact OE2-NH2 3.04Å; E316-R350 PolarHBondContact OE2-NH2 2.82Å; C329-R350 HydrophobicContact CB-CB 3.97Å; C329-R350 HydrophobicContact CB-CG 4.36Å; I331-R350 HydrophobicContact CD1-CG 3.95Å; I331-R350 HydrophobicContact CG1-CG 3.61Å; C344-R350 HydrophobicContact CB-CB 4.15Å; Q346-R350 PolarHBondContact O-N 3.29Å; Q346-R350 VanDerWaalsContact O-N 3.09Å; E347-R350 VanDerWaalsContact CD-NE 3.26Å; E347-R350 WeakPolarHBondContact O-CB 3.39Å; E347-R350 PolarHBondContact O-N 2.9Å; E347-R350 IonicContact OE1-CZ 2.86Å; E347-R350 IonicContact OE1-NE 3.65Å; E347-R350 PolarHBondContact OE1-NE 3.05Å; E347-R350 IonicContact OE1-NH2 3.1Å; E347-R350 PolarHBondContact OE1-NH2 3.24Å; E347-R350 IonicContact OE2-CZ 3.86Å; E347-R350 IonicContact OE2-NE 3.65Å; E347-R350 PolarHBondContact OE2-NE 3.09Å; E347-R350 IonicContact OE2-NH2 2.89Å; Q348-R350 VanDerWaalsContact C-N 3.29Å; Q348-R350 PolarHBondContact O-N 3.44Å; R350-E352 VanDerWaalsContact C-N 3.34Å; R350-E352 PolarHBondContact O-N 2.91Å; R350-W353 PolarHBondContact O-N 3.37Å; R350-M354 HydrophobicContact CG-CG 4.39Å; R350-M354 WeakPolarHBondContact O-CB 3.48Å; R350-M354 WeakPolarHBondContact O-CG 3.32Å; R350-M354 PolarHBondContact O-N 3.05Å
351R96.6Very high95.5Very high139 Ų13951 Ų5153%0.52523%0.226SC..Hα-helixtrans-57.7-47178.5-170.8-174.1-58.1150.64.3111.6E347 Q348 M354 E355E347-R351 PolarHBondContact O-N 2.85Å; Q348-R351 WeakPolarHBondContact O-CB 3.42Å; Q348-R351 PolarHBondContact O-N 2.96Å; R351-M354 WeakPolarHBondContact O-CB 3.21Å; R351-M354 PolarHBondContact O-N 2.83Å; R351-E355 WeakPolarHBondContact O-CB 3.17Å; R351-E355 PolarHBondContact O-N 2.96Å
352E96.9Very high95.5Very high75 Ų7555 Ų5535%0.3525%0.254SS..Hα-helixtrans-64.7-40179-68.8169.6-167.400112.5K259 Q348 E349 R350 E355 A356K259-E352 VanDerWaalsContact CD-C 3.5Å; K259-E352 HydrophobicContact CD-CB 3.8Å; K259-E352 VanDerWaalsContact CE-CB 3.45Å; K259-E352 IonicContact NZ-OE2 3.99Å; K259-E352 PolarHBondContact NZ-OE2 2.83Å; Q348-E352 WeakPolarHBondContact CG-OE1 3.3Å; Q348-E352 PolarHBondContact NE2-OE1 3.04Å; Q348-E352 WeakPolarHBondContact O-CG 3.45Å; Q348-E352 PolarHBondContact O-N 3.14Å; E349-E352 PolarHBondContact O-N 3.5Å; R350-E352 VanDerWaalsContact C-N 3.34Å; R350-E352 PolarHBondContact O-N 2.91Å; E352-E355 PolarHBondContact O-N 3Å; E352-A356 WeakPolarHBondContact O-CB 3.44Å; E352-A356 PolarHBondContact O-N 3.22Å
353W97.5Very high95.4Very high1 Ų158.4 Ų58.40%0.00427%0.27CS..Hα-helixtrans-64.7-45.1174.3-84.3119.2000111.9K259 M263 F279 L281 L288 I331 E349 R350 E355 A356 F357K259-W353 HydrophobicContact CB-CE3 4.05Å; K259-W353 HydrophobicContact CB-CH2 4.23Å; K259-W353 HydrophobicContact CB-CZ3 3.88Å; K259-W353 HydrophobicContact CD-CB 4.25Å; K259-W353 HydrophobicContact CD-CD2 3.52Å; K259-W353 HydrophobicContact CD-CE3 3.8Å; K259-W353 HydrophobicContact CD-CG 3.72Å; K259-W353 HydrophobicContact CD-CZ2 4.46Å; K259-W353 HydrophobicContact CD-CZ3 4.37Å; K259-W353 VanDerWaalsContact CE-CD2 3.49Å; K259-W353 HydrophobicContact CG-CD2 3.94Å; K259-W353 HydrophobicContact CG-CE3 3.96Å; K259-W353 HydrophobicContact CG-CH2 4.04Å; K259-W353 HydrophobicContact CG-CZ2 4.04Å; K259-W353 HydrophobicContact CG-CZ3 4.01Å; M263-W353 HydrophobicContact CE-CD2 3.75Å; M263-W353 HydrophobicContact CE-CE3 3.96Å; M263-W353 HydrophobicContact CE-CG 4.36Å; M263-W353 HydrophobicContact CE-CH2 4.02Å; M263-W353 HydrophobicContact CE-CZ2 3.78Å; M263-W353 HydrophobicContact CE-CZ3 4.1Å; M263-W353 HydrophobicContact SD-CB 4.48Å; M263-W353 HydrophobicContact SD-CD2 3.81Å; M263-W353 HydrophobicContact SD-CG 3.78Å; M263-W353 HydrophobicContact SD-CZ2 4.47Å; F279-W353 HydrophobicContact CB-CH2 3.65Å; F279-W353 HydrophobicContact CB-CZ2 3.91Å; L281-W353 HydrophobicContact CB-CZ3 3.92Å; L288-W353 HydrophobicContact CD1-CH2 4.42Å; L288-W353 HydrophobicContact CD1-CZ3 4.04Å; I331-W353 HydrophobicContact CD1-CB 3.56Å; I331-W353 HydrophobicContact CD1-CG 4.44Å; E349-W353 WeakPolarHBondContact O-CB 3.28Å; E349-W353 PolarHBondContact O-N 2.96Å; R350-W353 PolarHBondContact O-N 3.37Å; W353-E355 VanDerWaalsContact C-N 3.34Å; W353-E355 PolarHBondContact O-N 3.42Å; W353-A356 PolarHBondContact O-N 3.49Å; W353-F357 HydrophobicContact CB-CE2 4.16Å; W353-F357 HydrophobicContact CE3-CE1 4.35Å; W353-F357 HydrophobicContact CE3-CE2 4.24Å; W353-F357 AromaticContact CE3-CZ 3.9Å; W353-F357 HydrophobicContact CE3-CZ 3.9Å; W353-F357 HydrophobicContact CZ3-CZ 4.43Å; W353-F357 WeakPolarHBondContact O-CD2 3.46Å; W353-F357 WeakPolarHBondContact O-CG 3.36Å; W353-F357 PolarHBondContact O-N 3.22Å
354M97.1Very high95.2Very high3 Ų363.3 Ų63.32%0.01530%0.302CS..Hα-helixtrans-58.9-44.8176-72.2-70.9-66.200111.8V314 E316 I331 R350 R351 F357 R358V314-M354 HydrophobicContact CB-CE 4.45Å; V314-M354 HydrophobicContact CB-SD 4.38Å; V314-M354 HydrophobicContact CG1-CE 3.98Å; V314-M354 HydrophobicContact CG1-SD 4.23Å; V314-M354 HydrophobicContact CG2-CE 4.08Å; V314-M354 HydrophobicContact CG2-SD 3.44Å; V314-M354 WeakPolarHBondContact CG2-SD 3.36Å; E316-M354 HydrophobicContact CG-CE 4.48Å; I331-M354 HydrophobicContact CB-SD 4.27Å; I331-M354 HydrophobicContact CD1-CG 4.09Å; I331-M354 HydrophobicContact CD1-SD 4.3Å; I331-M354 HydrophobicContact CG1-CG 4.14Å; I331-M354 HydrophobicContact CG1-SD 3.97Å; I331-M354 HydrophobicContact CG2-SD 3.58Å; I331-M354 VanDerWaalsContact CG2-SD 3.58Å; R350-M354 HydrophobicContact CG-CG 4.39Å; R350-M354 WeakPolarHBondContact O-CB 3.48Å; R350-M354 WeakPolarHBondContact O-CG 3.32Å; R350-M354 PolarHBondContact O-N 3.05Å; R351-M354 WeakPolarHBondContact O-CB 3.21Å; R351-M354 PolarHBondContact O-N 2.83Å; M354-F357 PolarHBondContact O-N 2.85Å; M354-R358 WeakPolarHBondContact O-CB 3.35Å; M354-R358 VanDerWaalsContact O-CG 3.23Å; M354-R358 WeakPolarHBondContact O-CG 3.43Å; M354-R358 PolarHBondContact O-N 3.18Å
355E96.8Very high95Very high133 Ų13364.1 Ų64.162%0.62131%0.306SS*.Hα-helixtrans-61.9-46.2176.2-174.4177.2176.400111.6R351 E352 W353 F357 R358 K359R351-E355 WeakPolarHBondContact O-CB 3.17Å; R351-E355 PolarHBondContact O-N 2.96Å; E352-E355 PolarHBondContact O-N 3Å; W353-E355 VanDerWaalsContact C-N 3.34Å; W353-E355 PolarHBondContact O-N 3.42Å; E355-F357 PolarHBondContact O-N 3.35Å; E355-R358 PolarHBondContact O-N 2.68Å; E355-K359 WeakPolarHBondContact O-CB 3.42Å; E355-K359 PolarHBondContact O-N 2.81Å
356A96.3Very high94.8Very high9 Ų962.9 Ų62.97%0.07431%0.305CS..Hα-helixtrans-62.1-41.5177.800000112.2L258 K259 L281 E352 W353 K359 V360L258-A356 HydrophobicContact CB-CB 4.32Å; K259-A356 HydrophobicContact CB-CB 3.92Å; K259-A356 HydrophobicContact CD-CB 4.45Å; L281-A356 HydrophobicContact CD2-CB 3.86Å; E352-A356 WeakPolarHBondContact O-CB 3.44Å; E352-A356 PolarHBondContact O-N 3.22Å; W353-A356 PolarHBondContact O-N 3.49Å; A356-K359 PolarHBondContact O-N 3.09Å; A356-V360 PolarHBondContact O-N 2.84Å
357F96.8Very high94.4Very high0 Ų062.9 Ų62.90%032%0.315CS..Hα-helixtrans-64.5-47.9174.6-69.1-44000112.2M263 L281 L288 I305 V314 I331 F342 W353 M354 E355 K359 V360 I361M263-F357 HydrophobicContact CE-CZ 4.26Å; L281-F357 HydrophobicContact CD2-CD1 3.71Å; L281-F357 HydrophobicContact CD2-CE1 3.93Å; L288-F357 HydrophobicContact CD1-CE1 4.06Å; L288-F357 HydrophobicContact CD1-CZ 4.33Å; L288-F357 HydrophobicContact CD2-CE1 3.88Å; L288-F357 HydrophobicContact CD2-CZ 3.92Å; L288-F357 HydrophobicContact CG-CE1 4.44Å; I305-F357 HydrophobicContact CD1-CD1 3.64Å; I305-F357 HydrophobicContact CD1-CE1 3.73Å; V314-F357 HydrophobicContact CB-CB 4.27Å; V314-F357 HydrophobicContact CG1-CB 3.99Å; V314-F357 HydrophobicContact CG2-CB 4.23Å; V314-F357 HydrophobicContact CG2-CD2 3.93Å; V314-F357 HydrophobicContact CG2-CG 4.42Å; I331-F357 HydrophobicContact CD1-CE2 4.38Å; I331-F357 HydrophobicContact CG2-CD2 4.39Å; I331-F357 HydrophobicContact CG2-CE2 4.29Å; F342-F357 HydrophobicContact CE2-CZ 4.42Å; W353-F357 HydrophobicContact CB-CE2 4.16Å; W353-F357 HydrophobicContact CE3-CE1 4.35Å; W353-F357 HydrophobicContact CE3-CE2 4.24Å; W353-F357 AromaticContact CE3-CZ 3.9Å; W353-F357 HydrophobicContact CE3-CZ 3.9Å; W353-F357 HydrophobicContact CZ3-CZ 4.43Å; W353-F357 WeakPolarHBondContact O-CD2 3.46Å; W353-F357 WeakPolarHBondContact O-CG 3.36Å; W353-F357 PolarHBondContact O-N 3.22Å; M354-F357 PolarHBondContact O-N 2.85Å; E355-F357 PolarHBondContact O-N 3.35Å; F357-K359 VanDerWaalsContact C-N 3.25Å; F357-K359 PolarHBondContact O-N 3.43Å; F357-V360 PolarHBondContact O-N 2.91Å; F357-I361 HydrophobicContact CB-CD1 4.45Å; F357-I361 VanDerWaalsContact O-CG1 3.32Å; F357-I361 WeakPolarHBondContact O-CG1 3.17Å; F357-I361 PolarHBondContact O-N 2.62Å
358R96.1Very high93.8Very high130 Ų13064.5 Ų64.549%0.49132%0.322SS..Hα-helixtrans-58.1-39.8177.9-74.6172-175.9147.3-3.2111.7V314 M354 E355 V360 I361 S362V314-R358 HydrophobicContact CG1-CG 3.67Å; M354-R358 WeakPolarHBondContact O-CB 3.35Å; M354-R358 VanDerWaalsContact O-CG 3.23Å; M354-R358 WeakPolarHBondContact O-CG 3.43Å; M354-R358 PolarHBondContact O-N 3.18Å; E355-R358 PolarHBondContact O-N 2.68Å; R358-V360 VanDerWaalsContact C-N 3.27Å; R358-V360 PolarHBondContact O-N 2.98Å; R358-I361 PolarHBondContact O-N 2.71Å; R358-S362 WeakPolarHBondContact O-CB 3.08Å; R358-S362 PolarHBondContact O-N 3.32Å; R358-S362 PolarHBondContact O-OG 3.38Å; R358-S362 VanDerWaalsContact O-OG 3.13Å
359K94.5Very high93.4Very high115 Ų11560.7 Ų60.750%0.531%0.305SS..Hα-helixtrans-60-34.9176.6-174.8174.2-178.6175.20113L258 E355 A356 F357 S362 Q363L258-K359 HydrophobicContact CD2-CD 4.04Å; E355-K359 WeakPolarHBondContact O-CB 3.42Å; E355-K359 PolarHBondContact O-N 2.81Å; A356-K359 PolarHBondContact O-N 3.09Å; F357-K359 VanDerWaalsContact C-N 3.25Å; F357-K359 PolarHBondContact O-N 3.43Å; K359-S362 PolarHBondContact O-OG 2.8Å; K359-Q363 WeakPolarHBondContact O-CG 3.48Å; K359-Q363 PolarHBondContact O-NE2 2.94Å
360V93.9Very high93Very high0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-78.7-43.6175.9178.80000111L258 L281 R286 I305 A356 F357 R358 S362 Q363L258-V360 HydrophobicContact CD1-CG2 3.38Å; L281-V360 HydrophobicContact CD1-CG2 4.39Å; L281-V360 HydrophobicContact CD2-CG2 4.3Å; L281-V360 HydrophobicContact CG-CG2 4.5Å; R286-V360 HydrophobicContact CB-CG1 4.37Å; R286-V360 HydrophobicContact CG-CG1 3.97Å; R286-V360 PolarHBondContact NH1-O 2.87Å; I305-V360 HydrophobicContact CB-CG1 4.2Å; I305-V360 HydrophobicContact CG2-CB 4.47Å; I305-V360 HydrophobicContact CG2-CG1 4.03Å; A356-V360 PolarHBondContact O-N 2.84Å; F357-V360 PolarHBondContact O-N 2.91Å; R358-V360 VanDerWaalsContact C-N 3.27Å; R358-V360 PolarHBondContact O-N 2.98Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 2.88Å; V360-Q363 PolarHBondContact O-N 3.2Å
361I95.4Very high92.5Very high11 Ų1164.4 Ų64.46%0.05633%0.329CS..Hα-helixtrans-66.2-33.3-176.9-67.5167.9000111.9I305 S307 Q308 Y312 V314 F357 R358 Q363I305-I361 HydrophobicContact CG2-CD1 4.25Å; I305-I361 HydrophobicContact CG2-CG1 3.64Å; S307-I361 VanDerWaalsContact CA-O 3.24Å; S307-I361 WeakPolarHBondContact CA-O 3.28Å; S307-I361 WeakPolarHBondContact CB-O 3.32Å; Q308-I361 HydrophobicContact CB-CG2 3.98Å; Q308-I361 PolarHBondContact N-O 3.11Å; Q308-I361 VanDerWaalsContact N-O 3.11Å; Y312-I361 WeakPolarHBondContact O-CG2 3.44Å; V314-I361 HydrophobicContact CB-CD1 4.1Å; V314-I361 HydrophobicContact CG1-CD1 4.15Å; F357-I361 HydrophobicContact CB-CD1 4.45Å; F357-I361 VanDerWaalsContact O-CG1 3.32Å; F357-I361 WeakPolarHBondContact O-CG1 3.17Å; F357-I361 PolarHBondContact O-N 2.62Å; R358-I361 PolarHBondContact O-N 2.71Å; I361-Q363 VanDerWaalsContact C-N 3.26Å; I361-Q363 PolarHBondContact O-N 2.86Å
362S94.6Very high91.8Very high88 Ų8859.4 Ų59.462%0.61531%0.312SS*.THydrogen-bonded Turntrans-74.6-13.8179.166.30000114.1R358 K359 V360R358-S362 WeakPolarHBondContact O-CB 3.08Å; R358-S362 PolarHBondContact O-N 3.32Å; R358-S362 PolarHBondContact O-OG 3.38Å; R358-S362 VanDerWaalsContact O-OG 3.13Å; K359-S362 PolarHBondContact O-OG 2.8Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 2.88Å
363Q91.8Very high91.3Very high72 Ų7256.8 Ų56.834%0.33630%0.3SS..SBendtrans-84.3139.9178.9-69.6174.20.100110.6R286 S307 K359 V360 I361R286-Q363 VanDerWaalsContact NH2-C 3.26Å; R286-Q363 VanDerWaalsContact NH2-CB 3.32Å; R286-Q363 PolarHBondContact NH2-O 2.82Å; S307-Q363 VanDerWaalsContact CB-O 3.27Å; S307-Q363 WeakPolarHBondContact CB-O 3.36Å; K359-Q363 WeakPolarHBondContact O-CG 3.48Å; K359-Q363 PolarHBondContact O-NE2 2.94Å; V360-Q363 PolarHBondContact O-N 3.2Å; I361-Q363 VanDerWaalsContact C-N 3.26Å; I361-Q363 PolarHBondContact O-N 2.86Å
364P91.5Very high90.5Very high105 Ų10558.6 Ų58.668%0.68232%0.316SS*.PPolyproline II helixtrans-65.9149.1171.828.6-34000111.1R286R286-P364 VanDerWaalsContact NH2-C 3.31Å; R286-P364 PolarHBondContact NH2-O 2.86Å
365M91Very high89.7Confident18 Ų1861.2 Ų61.29%0.08933%0.332CS..PPolyproline II helixtrans-76.9135.1177.3-72.9-179.255.500111.1F304 H310 D369 Y370F304-M365 HydrophobicContact CE1-CE 3.75Å; F304-M365 HydrophobicContact CE1-SD 4.25Å; F304-M365 HydrophobicContact CZ-CE 3.66Å; F304-M365 HydrophobicContact CZ-SD 4.45Å; H310-M365 HydrophobicContact CB-SD 4.42Å; M365-D369 HydrophobicContact CB-CB 4.13Å; M365-D369 HydrophobicContact CE-CB 4.05Å; M365-D369 HydrophobicContact CG-CB 4.37Å; M365-Y370 HydrophobicContact CB-CD2 4.38Å; M365-Y370 HydrophobicContact CB-CE1 4.39Å; M365-Y370 HydrophobicContact CB-CE2 3.75Å; M365-Y370 HydrophobicContact CE-CD1 3.64Å; M365-Y370 HydrophobicContact CE-CE1 3.7Å; M365-Y370 HydrophobicContact CE-CG 4.08Å; M365-Y370 HydrophobicContact SD-CE1 4.3Å
366T87.6Confident88.7Confident65 Ų6556.4 Ų56.440%0.39931%0.31SS..PPolyproline II helixtrans-86.4163.4174.266.60000111.2E368 D369 Y370T366-E368 PolarHBondContact O-N 3.35Å; T366-D369 PolarHBondContact N-OD2 3.43Å; T366-D369 VanDerWaalsContact O-CB 3.31Å; T366-D369 WeakPolarHBondContact O-CB 3.42Å; T366-D369 PolarHBondContact O-N 2.87Å; T366-D369 PolarHBondContact OG1-N 2.87Å; T366-D369 PolarHBondContact OG1-OD2 3.01Å; T366-Y370 WeakPolarHBondContact O-CD2 3.38Å; T366-Y370 PolarHBondContact O-N 3.39Å
367P85.8Confident87.5Confident116 Ų11662.8 Ų62.875%0.75333%0.332SS*.Hα-helixtrans-53.7-35.2172.6-28.436.6000114Y370 A371P367-Y370 PolarHBondContact O-N 3.03Å; P367-A371 PolarHBondContact O-N 3.11Å
368E82.6Confident85.9Confident110 Ų11073 Ų7351%0.51437%0.371SS..Hα-helixtrans-69.7-34.3176.3-172.8165.6-162.300112T366 A371 N372T366-E368 PolarHBondContact O-N 3.35Å; E368-A371 PolarHBondContact O-N 3.44Å; E368-N372 WeakPolarHBondContact O-CB 2.96Å; E368-N372 VanDerWaalsContact O-CG 3.3Å; E368-N372 PolarHBondContact O-N 3.21Å; E368-N372 PolarHBondContact O-ND2 2.87Å
369D87.8Confident84Confident6 Ų670.3 Ų70.33%0.03238%0.383CS..Hα-helixtrans-63-42.1174.5-66.7-41.8000112.1R286 F304 M365 T366 A371 N372 E373R286-D369 WeakPolarHBondContact CD-OD1 3.16Å; R286-D369 IonicContact CZ-OD2 2.87Å; R286-D369 VanDerWaalsContact NE-CG 3.31Å; R286-D369 IonicContact NE-OD1 2.94Å; R286-D369 IonicContact NE-OD2 3.55Å; R286-D369 PolarHBondContact NE-OD2 3.43Å; F304-D369 HydrophobicContact CZ-CB 4.21Å; M365-D369 HydrophobicContact CB-CB 4.13Å; M365-D369 HydrophobicContact CE-CB 4.05Å; M365-D369 HydrophobicContact CG-CB 4.37Å; T366-D369 PolarHBondContact N-OD2 3.43Å; T366-D369 VanDerWaalsContact O-CB 3.31Å; T366-D369 WeakPolarHBondContact O-CB 3.42Å; T366-D369 PolarHBondContact O-N 2.87Å; T366-D369 PolarHBondContact OG1-N 2.87Å; T366-D369 PolarHBondContact OG1-OD2 3.01Å; D369-A371 VanDerWaalsContact C-N 3.34Å; D369-A371 PolarHBondContact O-N 3.3Å; D369-N372 WeakPolarHBondContact O-CB 3.43Å; D369-N372 PolarHBondContact O-N 3.33Å; D369-E373 PolarHBondContact O-N 3.35Å
370Y87.7Confident81.9Confident102 Ų10273.1 Ų73.140%0.440%0.395SS..Hα-helixtrans-62.8-40.8175.6-70.2-73.6000112H310 M365 T366 P367 E373 A374H310-Y370 PolarHBondContact CE1-OH 2.89Å; H310-Y370 AromaticContact NE2-CE1 3.58Å; H310-Y370 AromaticContact NE2-CZ 3.66Å; H310-Y370 PolarHBondContact NE2-OH 2.71Å; M365-Y370 HydrophobicContact CB-CD2 4.38Å; M365-Y370 HydrophobicContact CB-CE1 4.39Å; M365-Y370 HydrophobicContact CB-CE2 3.75Å; M365-Y370 HydrophobicContact CE-CD1 3.64Å; M365-Y370 HydrophobicContact CE-CE1 3.7Å; M365-Y370 HydrophobicContact CE-CG 4.08Å; M365-Y370 HydrophobicContact SD-CE1 4.3Å; T366-Y370 WeakPolarHBondContact O-CD2 3.38Å; T366-Y370 PolarHBondContact O-N 3.39Å; P367-Y370 PolarHBondContact O-N 3.03Å; Y370-E373 PolarHBondContact O-N 3Å; Y370-A374 WeakPolarHBondContact O-CB 3.46Å; Y370-A374 PolarHBondContact O-N 3.23Å; Y370-A374 VanDerWaalsContact O-N 3.07Å
371A84.3Confident81.3Confident54 Ų5476.8 Ų76.845%0.44642%0.415SS..Hα-helixtrans-63.8-43.9174.500000111.4P367 E368 D369 E373 A374 T375P367-A371 PolarHBondContact O-N 3.11Å; E368-A371 PolarHBondContact O-N 3.44Å; D369-A371 VanDerWaalsContact C-N 3.34Å; D369-A371 PolarHBondContact O-N 3.3Å; A371-E373 PolarHBondContact O-N 3.45Å; A371-A374 PolarHBondContact O-N 3.04Å; A371-T375 PolarHBondContact O-N 3.37Å; A371-T375 PolarHBondContact O-OG1 3.36Å; A371-T375 VanDerWaalsContact O-OG1 3.07Å
372N82Confident80.5Confident34 Ų3480.2 Ų80.218%0.18243%0.434CS..Hα-helixtrans-61.3-42.2177.1-79.5-37.7000112.7F304 E368 D369 L376F304-N372 HydrophobicContact CE2-CB 4.29Å; E368-N372 WeakPolarHBondContact O-CB 2.96Å; E368-N372 VanDerWaalsContact O-CG 3.3Å; E368-N372 PolarHBondContact O-N 3.21Å; E368-N372 PolarHBondContact O-ND2 2.87Å; D369-N372 WeakPolarHBondContact O-CB 3.43Å; D369-N372 PolarHBondContact O-N 3.33Å; N372-L376 PolarHBondContact O-N 2.86Å; N372-L376 VanDerWaalsContact O-N 3.13Å
373E85.8Confident79.8Confident21 Ų2179.8 Ų79.810%0.09842%0.424CS..Hα-helixtrans-61.8-46.9175.6-172.3-178.4-165.300111.2F304 Y312 D369 Y370 A371 T375 L376 R377F304-E373 HydrophobicContact CD1-CB 3.83Å; F304-E373 HydrophobicContact CD1-CG 3.59Å; F304-E373 HydrophobicContact CD2-CB 4.24Å; F304-E373 HydrophobicContact CE1-CB 3.68Å; F304-E373 HydrophobicContact CE1-CG 3.79Å; F304-E373 HydrophobicContact CE2-CB 4.09Å; F304-E373 HydrophobicContact CG-CB 4.11Å; F304-E373 HydrophobicContact CG-CG 4.11Å; F304-E373 HydrophobicContact CZ-CB 3.83Å; F304-E373 HydrophobicContact CZ-CG 4.44Å; Y312-E373 PolarHBondContact OH-OE1 3.02Å; D369-E373 PolarHBondContact O-N 3.35Å; Y370-E373 PolarHBondContact O-N 3Å; A371-E373 PolarHBondContact O-N 3.45Å; E373-T375 PolarHBondContact O-N 2.88Å; E373-L376 PolarHBondContact O-N 3.07Å; E373-R377 WeakPolarHBondContact O-CG 3.35Å; E373-R377 PolarHBondContact O-N 3.02Å; E373-R377 IonicContact OE1-CZ 3.84Å; E373-R377 IonicContact OE1-NE 3.64Å; E373-R377 PolarHBondContact OE1-NE 2.68Å; E373-R377 IonicContact OE1-NH2 3.58Å; E373-R377 PolarHBondContact OE1-NH2 3.5Å
374A82.3Confident79.1Confident39 Ų3980.2 Ų80.232%0.32243%0.429SS..Hα-helixtrans-60.6-43.9179.900000112Y370 A371 L376 R377 R378Y370-A374 WeakPolarHBondContact O-CB 3.46Å; Y370-A374 PolarHBondContact O-N 3.23Å; Y370-A374 VanDerWaalsContact O-N 3.07Å; A371-A374 PolarHBondContact O-N 3.04Å; A374-L376 PolarHBondContact O-N 3.46Å; A374-R377 PolarHBondContact O-N 3.4Å; A374-R378 WeakPolarHBondContact O-CG 3.46Å; A374-R378 PolarHBondContact O-N 3.11Å
375T78.3Confident78.3Confident58 Ų5878.7 Ų78.736%0.35641%0.413SS..Hα-helixtrans-61.5-44176.7-56.80000111.6E207 A371 E373 R377 R378 G379E207-T375 WeakPolarHBondContact OE2-CG2 3.5Å; A371-T375 PolarHBondContact O-N 3.37Å; A371-T375 PolarHBondContact O-OG1 3.36Å; A371-T375 VanDerWaalsContact O-OG1 3.07Å; E373-T375 PolarHBondContact O-N 2.88Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.76Å; T375-R378 PolarHBondContact O-N 3.32Å; T375-G379 PolarHBondContact O-N 2.91Å; T375-G379 VanDerWaalsContact O-N 3.11Å
376L76.8Confident77.4Confident31 Ų3182.7 Ų82.716%0.16244%0.435CS..Hα-helixtrans-68.2-29.4179.7-164.5143.5000112.6K287 A302 F304 N372 E373 A374K287-L376 HydrophobicContact CD-CD1 4.46Å; K287-L376 HydrophobicContact CG-CD1 4.33Å; A302-L376 HydrophobicContact CB-CD1 3.7Å; F304-L376 HydrophobicContact CB-CD1 4.3Å; F304-L376 HydrophobicContact CB-CD2 4.31Å; N372-L376 PolarHBondContact O-N 2.86Å; N372-L376 VanDerWaalsContact O-N 3.13Å; E373-L376 PolarHBondContact O-N 3.07Å; A374-L376 PolarHBondContact O-N 3.46Å
377R71.4Confident76.7Confident144 Ų14484 Ų8454%0.54344%0.437SS..Hα-helixtrans-71.2-35.9171.8-71.6179.3-177.2-158.73.3112.5E373 A374 T375E373-R377 WeakPolarHBondContact O-CG 3.35Å; E373-R377 PolarHBondContact O-N 3.02Å; E373-R377 IonicContact OE1-CZ 3.84Å; E373-R377 IonicContact OE1-NE 3.64Å; E373-R377 PolarHBondContact OE1-NE 2.68Å; E373-R377 IonicContact OE1-NH2 3.58Å; E373-R377 PolarHBondContact OE1-NH2 3.5Å; A374-R377 PolarHBondContact O-N 3.4Å; T375-R377 VanDerWaalsContact C-N 3.3Å; T375-R377 PolarHBondContact O-N 2.76Å
378R63.1Low76Confident215 Ų21581.5 Ų81.581%0.81141%0.413SS*.Hα-helixtrans-74.6-27.7179.9-71.4175.2-175.6-176.11.9113.8A374 T375 K380A374-R378 WeakPolarHBondContact O-CG 3.46Å; A374-R378 PolarHBondContact O-N 3.11Å; T375-R378 PolarHBondContact O-N 3.32Å; R378-K380 VanDerWaalsContact C-N 3.32Å
379G56.2Low75.5Confident72 Ų7279.2 Ų79.274%0.74240%0.404SS*.THydrogen-bonded Turntrans-86.28178.300000115.4T375T375-G379 PolarHBondContact O-N 2.91Å; T375-G379 VanDerWaalsContact O-N 3.11Å
380K50.1Low74.3Confident174 Ų17485.8 Ų85.876%0.75744%0.438SS*.  trans-92.10178.1-86.5-176.8-179.1174.40112.9R378R378-K380 VanDerWaalsContact C-N 3.32Å

Retrieved 380 of 380 residues in 472.4 ms (Link to these results)

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