A0A077ZBP8_TRITR Loading...

General transcription factor IIF subunit 2

AlphaFold DB , UniProt , Accession A0A077ZBP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 252 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
1M37.1Very low75.7Confident237 Ų237112.2 Ų112.2100%1.16760%0.604SS**  099.50-67.9-170.2174.300108G3M1-G3 PolarHBondContact O-N 3.11Å; M1-G3 VanDerWaalsContact O-N 3.13Å
2S48.1Very low77.1Confident123 Ų123117.5 Ų117.586%0.8661%0.609SS**  trans-76.597.6175.1-1720000107S4S2-S4 PolarHBondContact O-N 3.31Å
3G53.7Low78.3Confident33 Ų33117 Ų11734%0.3462%0.622SS.*  trans-65.6122.2-177.200000109.9M1 N5 Q6M1-G3 PolarHBondContact O-N 3.11Å; M1-G3 VanDerWaalsContact O-N 3.13Å; G3-N5 PolarHBondContact O-N 2.98Å; G3-Q6 PolarHBondContact O-N 3.42Å; G3-Q6 VanDerWaalsContact O-N 3.1Å
4S65.8Low79.6Confident107 Ų107118.9 Ų118.975%0.74862%0.616SS**THydrogen-bonded Turntrans-52.3-18175.254.40000113.6S2S2-S4 PolarHBondContact O-N 3.31Å
5N76.7Confident80.6Confident145 Ų145113.7 Ų113.778%0.77560%0.604SS**THydrogen-bonded Turntrans-109.920.3-175.4-57.2-2.8000113.1G3G3-N5 PolarHBondContact O-N 2.98Å
6Q86Confident81.6Confident134 Ų134108.6 Ų108.663%0.62658%0.576SS**  trans-86.3130178.3-69.9-171.7-9.800112G3G3-Q6 PolarHBondContact O-N 3.42Å; G3-Q6 VanDerWaalsContact O-N 3.1Å
7L91.1Very high82.5Confident76 Ų76109.8 Ų109.840%0.39857%0.571SS.*  trans-85.3117.1173.2177.865.4000110.5C9 I91 L108 V110L7-C9 PolarHBondContact O-N 3.15Å; L7-C9 VanDerWaalsContact O-N 3.17Å; L7-C9 PolarHBondContact O-SG 2.92Å; L7-I91 HydrophobicContact CD1-CG2 4.22Å; L7-L108 HydrophobicContact CD1-CB 3.68Å; L7-V110 HydrophobicContact CD1-CG2 4Å; L7-V110 HydrophobicContact CD2-CG2 3.74Å; L7-V110 HydrophobicContact CG-CG2 3.87Å
8D92.6Very high83.2Confident36 Ų36108.3 Ų108.319%0.19356%0.563CS.*BIsolated β-bridgetrans-69.4110.9175.2-173.3-9000111R10 L108 S109 V110D8-R10 WeakPolarHBondContact OD1-CB 3.46Å; D8-R10 VanDerWaalsContact OD1-CD 3.27Å; D8-R10 WeakPolarHBondContact OD1-CD 3.47Å; D8-R10 WeakPolarHBondContact OD1-CG 3.36Å; D8-R10 PolarHBondContact OD1-N 3.04Å; D8-R10 VanDerWaalsContact OD1-N 3.07Å; D8-R10 IonicContact OD1-NE 2.7Å; D8-R10 PolarHBondContact OD1-NE 3.5Å; D8-R10 IonicContact OD2-CZ 3.49Å; D8-R10 IonicContact OD2-NE 3.55Å; D8-L108 PolarHBondContact N-O 3.41Å; D8-S109 CarbonylContact O-C 3.45Å; D8-S109 WeakPolarHBondContact O-CA 3.46Å; D8-V110 PolarHBondContact O-N 2.99Å
9C94.4Very high83.9Confident51 Ų51105.1 Ų105.135%0.34555%0.548SS..  trans-102.416.8-175.6-64.70000114.4L7 H11 R12L7-C9 PolarHBondContact O-N 3.15Å; L7-C9 VanDerWaalsContact O-N 3.17Å; L7-C9 PolarHBondContact O-SG 2.92Å; C9-H11 VanDerWaalsContact C-N 3.31Å; C9-H11 PolarHBondContact O-N 3.22Å; C9-R12 WeakPolarHBondContact O-CB 3.44Å; C9-R12 VanDerWaalsContact O-CG 3.31Å; C9-R12 WeakPolarHBondContact O-CG 3.46Å; C9-R12 PolarHBondContact O-N 3.37Å; C9-R12 PolarHBondContact O-NH1 2.95Å
10R94.2Very high84.6Confident192 Ų192106.6 Ų106.673%0.72555%0.55SS**THydrogen-bonded Turntrans-58.4-37.9-176.3-73.3165.1-163.3-1693.2113.7D8D8-R10 WeakPolarHBondContact OD1-CB 3.46Å; D8-R10 VanDerWaalsContact OD1-CD 3.27Å; D8-R10 WeakPolarHBondContact OD1-CD 3.47Å; D8-R10 WeakPolarHBondContact OD1-CG 3.36Å; D8-R10 PolarHBondContact OD1-N 3.04Å; D8-R10 VanDerWaalsContact OD1-N 3.07Å; D8-R10 IonicContact OD1-NE 2.7Å; D8-R10 PolarHBondContact OD1-NE 3.5Å; D8-R10 IonicContact OD2-CZ 3.49Å; D8-R10 IonicContact OD2-NE 3.55Å
11H93.2Very high85.2Confident100 Ų100103.7 Ų103.746%0.46354%0.537SS..THydrogen-bonded Turntrans-96.717.1-178.2-55.4-71.8000113.8C9 S13 R14 V110 V111 G112C9-H11 VanDerWaalsContact C-N 3.31Å; C9-H11 PolarHBondContact O-N 3.22Å; H11-S13 PolarHBondContact O-N 2.99Å; H11-R14 HydrophobicContact CB-CB 4.2Å; H11-R14 WeakPolarHBondContact O-CB 3.29Å; H11-R14 PolarHBondContact O-N 3.27Å; H11-V110 WeakPolarHBondContact CB-O 3.06Å; H11-V111 WeakPolarHBondContact CB-O 3.41Å; H11-G112 WeakPolarHBondContact O-CA 3.43Å
12R92Very high87.9Confident176 Ų17693.5 Ų93.566%0.66449%0.489SS*.THydrogen-bonded Turntrans-56-28.8-177.570.6-179.5-177.8-90.64.7114.8C9 V110C9-R12 WeakPolarHBondContact O-CB 3.44Å; C9-R12 VanDerWaalsContact O-CG 3.31Å; C9-R12 WeakPolarHBondContact O-CG 3.46Å; C9-R12 PolarHBondContact O-N 3.37Å; C9-R12 PolarHBondContact O-NH1 2.95Å; R12-V110 HydrophobicContact CB-CG1 4.29Å
13S93Very high90Very high111 Ų11195.6 Ų95.678%0.77648%0.483SS*.THydrogen-bonded Turntrans-89.6-7.3178.953.80000113.6H11 G15H11-S13 PolarHBondContact O-N 2.99Å; S13-G15 PolarHBondContact O-N 3.03Å
14R96.6Very high91.8Very high143 Ų14396 Ų9654%0.5447%0.474SS..  trans-66.5119.8178.7-176179.7175.5179.50.8109.3H11 I16 V111 G112 R113H11-R14 HydrophobicContact CB-CB 4.2Å; H11-R14 WeakPolarHBondContact O-CB 3.29Å; H11-R14 PolarHBondContact O-N 3.27Å; R14-I16 HydrophobicContact CG-CG2 4.23Å; R14-V111 WeakPolarHBondContact CD-O 3.32Å; R14-G112 CarbonylContact O-C 3.47Å; R14-G112 WeakPolarHBondContact O-CA 3.36Å; R14-R113 PolarHBondContact O-N 3.29Å
15G95.3Very high93Very high42 Ų4291 Ų9143%0.43344%0.439SS..EExtended strand (participates in β ladder)trans-76.3127.3171.700000111.1S13 R113S13-G15 PolarHBondContact O-N 3.03Å; G15-R113 WeakPolarHBondContact CA-O 3.46Å
16I96.2Very high93.8Very high31 Ų3186.2 Ų86.216%0.15942%0.417CS..EExtended strand (participates in β ladder)trans-124.5155.9176.259.9170.6000111.3R14 A90 R113 I114 V115R14-I16 HydrophobicContact CG-CG2 4.23Å; I16-A90 HydrophobicContact CD1-CB 3.39Å; I16-R113 WeakPolarHBondContact CG1-O 3.37Å; I16-R113 PolarHBondContact N-O 2.6Å; I16-I114 HydrophobicContact CD1-CD1 3.98Å; I16-I114 HydrophobicContact CD1-CG1 4.15Å; I16-I114 HydrophobicContact CG1-CD1 4.32Å; I16-I114 HydrophobicContact CG1-CG1 4.09Å; I16-I114 WeakPolarHBondContact O-CA 3.37Å; I16-V115 WeakPolarHBondContact O-CG2 3.46Å; I16-V115 PolarHBondContact O-N 3.25Å
17W95.9Very high94Very high129 Ų12983.4 Ų83.449%0.48941%0.409SS..EExtended strand (participates in β ladder)trans-101.6137.2176.8-75.830.1000110V19 V55 T80 Q116W17-V19 HydrophobicContact CB-CG2 4.43Å; W17-V55 HydrophobicContact CH2-CG2 4.14Å; W17-V55 HydrophobicContact CZ3-CG1 4.3Å; W17-V55 HydrophobicContact CZ3-CG2 4.35Å; W17-T80 HydrophobicContact CH2-CG2 4.4Å; W17-T80 HydrophobicContact CZ3-CG2 4.25Å; W17-Q116 WeakPolarHBondContact CA-O 3.29Å; W17-Q116 HydrophobicContact CD2-CB 3.95Å; W17-Q116 HydrophobicContact CD2-CG 4.21Å; W17-Q116 HydrophobicContact CG-CB 3.97Å; W17-Q116 HydrophobicContact CH2-CG 4.48Å; W17-Q116 HydrophobicContact CZ2-CB 4.37Å; W17-Q116 HydrophobicContact CZ2-CG 4.16Å
18L96.2Very high93.7Very high84 Ų8481.3 Ų81.344%0.4440%0.397SS..EExtended strand (participates in β ladder)trans-103.3113171.217761.6000109M88 I114 Q116 K117 A118L18-M88 HydrophobicContact CD2-SD 4.37Å; L18-I114 HydrophobicContact CB-CG1 4.18Å; L18-I114 HydrophobicContact CB-CG2 3.78Å; L18-Q116 PolarHBondContact N-O 3.01Å; L18-K117 HydrophobicContact CB-CG 4.36Å; L18-K117 HydrophobicContact CD2-CG 4.34Å; L18-K117 CarbonylContact O-C 3.5Å; L18-K117 WeakPolarHBondContact O-CA 3.43Å; L18-A118 PolarHBondContact O-N 3.42Å
19V97.1Very high93.6Very high46 Ų4683.1 Ų83.128%0.27940%0.401SS..EExtended strand (participates in β ladder)trans-114.3121.2-177.2-171.30000110.6W17 V21 F78 A118 C120W17-V19 HydrophobicContact CB-CG2 4.43Å; V19-V21 HydrophobicContact CG1-CG1 4.08Å; V19-F78 HydrophobicContact CG1-CD1 4.48Å; V19-F78 HydrophobicContact CG1-CD2 4.26Å; V19-F78 HydrophobicContact CG1-CE1 4.14Å; V19-F78 HydrophobicContact CG1-CE2 3.91Å; V19-F78 HydrophobicContact CG1-CZ 3.84Å; V19-F78 HydrophobicContact CG2-CD2 4.36Å; V19-F78 HydrophobicContact CG2-CE2 4.01Å; V19-A118 CarbonylContact C-O 3.58Å; V19-A118 WeakPolarHBondContact CA-O 3.28Å; V19-A118 HydrophobicContact CG1-CB 4.4Å; V19-A118 HydrophobicContact CG2-CB 4.27Å; V19-C120 HydrophobicContact CG1-CB 4.13Å
20K97.8Very high93.4Very high135 Ų13586.1 Ų86.159%0.58742%0.417SS*.EExtended strand (participates in β ladder)trans-81.5125.7170.2179-178.8171.7-171.70109.4A118 E119 C120K20-A118 PolarHBondContact N-O 3.24Å; K20-E119 HydrophobicContact CB-CG 4.43Å; K20-E119 HydrophobicContact CD-CG 4.26Å; K20-E119 WeakPolarHBondContact CD-OE1 3.48Å; K20-E119 IonicContact NZ-OE1 2.83Å; K20-E119 PolarHBondContact NZ-OE1 3.29Å; K20-C120 VanDerWaalsContact O-CB 3.31Å; K20-C120 WeakPolarHBondContact O-CB 3.37Å; K20-C120 PolarHBondContact O-N 2.85Å
21V96.1Very high93.1Very high46 Ų4682.1 Ų82.128%0.27941%0.407SS..  trans-117.9144.1-175-63.30000112.5V19 W29 C120V19-V21 HydrophobicContact CG1-CG1 4.08Å; V21-W29 HydrophobicContact CB-CH2 4.37Å; V21-W29 HydrophobicContact CB-CZ3 4.44Å; V21-W29 HydrophobicContact CG1-CH2 3.66Å; V21-W29 HydrophobicContact CG1-CZ3 3.97Å; V21-W29 HydrophobicContact CG2-CZ3 4.14Å; V21-C120 HydrophobicContact CG1-CB 4.11Å
22P94.2Very high92.7Very high23 Ų2377.9 Ų77.915%0.14939%0.389CS..  trans-60.5145.6172.2-25.134.3000113.1Y24 L25 S26 C120P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 HydrophobicContact CB-CD1 3.73Å; P22-Y24 HydrophobicContact CB-CE1 3.19Å; P22-Y24 HydrophobicContact CB-CE2 4.38Å; P22-Y24 HydrophobicContact CB-CG 4.5Å; P22-Y24 HydrophobicContact CG-CE1 3.98Å; P22-Y24 PolarHBondContact O-N 3.5Å; P22-L25 WeakPolarHBondContact O-CB 3.19Å; P22-L25 PolarHBondContact O-N 2.74Å; P22-S26 PolarHBondContact O-N 2.83Å; P22-C120 WeakPolarHBondContact CD-O 3.49Å
23K92.6Very high92.3Very high168 Ų16873.4 Ų73.473%0.7339%0.389SS*.Hα-helixtrans-55.4-40-177.2-74.1-169.7175.8-174.60113.9L25 S26 T27K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.4Å; K23-S26 WeakPolarHBondContact CA-OG 3.3Å; K23-S26 PolarHBondContact O-N 3.04Å; K23-S26 PolarHBondContact O-OG 3.48Å; K23-T27 PolarHBondContact O-N 2.89Å; K23-T27 PolarHBondContact O-OG1 3.04Å
24Y90.3Very high91.8Very high42 Ų4272.1 Ų72.117%0.16539%0.394CS..Hα-helixtrans-64.3-33.8179.762.3-94.2000112.3P22 K28 I72 H76 P122 Y128 M131P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 HydrophobicContact CB-CD1 3.73Å; P22-Y24 HydrophobicContact CB-CE1 3.19Å; P22-Y24 HydrophobicContact CB-CE2 4.38Å; P22-Y24 HydrophobicContact CB-CG 4.5Å; P22-Y24 HydrophobicContact CG-CE1 3.98Å; P22-Y24 PolarHBondContact O-N 3.5Å; Y24-K28 WeakPolarHBondContact O-CB 3.32Å; Y24-K28 PolarHBondContact O-N 3.5Å; Y24-I72 HydrophobicContact CD2-CG2 3.68Å; Y24-I72 HydrophobicContact CE2-CG2 3.68Å; Y24-H76 AromaticContact CE2-NE2 3.51Å; Y24-H76 AromaticContact CZ-NE2 3.62Å; Y24-H76 PolarHBondContact OH-CD2 3.02Å; Y24-H76 VanDerWaalsContact OH-CD2 3.3Å; Y24-H76 PolarHBondContact OH-NE2 2.76Å; Y24-P122 WeakPolarHBondContact OH-CB 3.47Å; Y24-Y128 AromaticContact CE1-CE2 3.83Å; Y24-Y128 HydrophobicContact CE1-CE2 3.83Å; Y24-M131 HydrophobicContact CD1-CE 3.78Å; Y24-M131 HydrophobicContact CE1-CE 3.87Å; Y24-M131 HydrophobicContact CG-CE 4.15Å
25L92.3Very high91.2Very high0 Ų070.8 Ų70.80%039%0.388CS..Hα-helixtrans-68.7-45.6173.5-73.6-172000110.9P22 K23 T27 K28 W29 F57 L59 I72P22-L25 WeakPolarHBondContact O-CB 3.19Å; P22-L25 PolarHBondContact O-N 2.74Å; K23-L25 VanDerWaalsContact C-N 3.29Å; K23-L25 PolarHBondContact O-N 3.4Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.3Å; L25-K28 PolarHBondContact O-N 3.32Å; L25-K28 VanDerWaalsContact O-N 3.16Å; L25-W29 VanDerWaalsContact O-CD1 3.32Å; L25-W29 PolarHBondContact O-N 3.48Å; L25-F57 HydrophobicContact CD1-CD1 4.35Å; L25-F57 HydrophobicContact CD1-CE1 4.4Å; L25-L59 HydrophobicContact CD2-CD1 4.15Å; L25-I72 HydrophobicContact CD2-CG2 4.49Å
26S91.9Very high90.7Very high46 Ų4675.6 Ų75.632%0.32241%0.412SS..Hα-helixtrans-61.3-40.6177.857.30000112P22 K23 W29 V30P22-S26 PolarHBondContact O-N 2.83Å; K23-S26 WeakPolarHBondContact CA-OG 3.3Å; K23-S26 PolarHBondContact O-N 3.04Å; K23-S26 PolarHBondContact O-OG 3.48Å; S26-W29 PolarHBondContact O-N 3.06Å; S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.31Å
27T90.1Very high90.4Very high74 Ų7478 Ų7845%0.45442%0.422SS..Hα-helixtrans-61.9-44.5174.8-54.90000110.9K23 L25 W29 V30 Q31K23-T27 PolarHBondContact O-N 2.89Å; K23-T27 PolarHBondContact O-OG1 3.04Å; L25-T27 VanDerWaalsContact C-N 3.31Å; L25-T27 PolarHBondContact O-N 3.3Å; T27-W29 VanDerWaalsContact C-N 3.34Å; T27-W29 PolarHBondContact O-N 3.28Å; T27-V30 PolarHBondContact O-N 2.97Å; T27-Q31 WeakPolarHBondContact O-CG 3.22Å; T27-Q31 PolarHBondContact O-N 3.29Å
28K86.8Confident90.1Very high33 Ų3374.5 Ų74.514%0.14341%0.413CS..Hα-helixtrans-61.3-42.4176.8-170.1177.7175.8-176.60111.4Y24 L25 V30 Q31 S32 L59 D62Y24-K28 WeakPolarHBondContact O-CB 3.32Å; Y24-K28 PolarHBondContact O-N 3.5Å; L25-K28 PolarHBondContact O-N 3.32Å; L25-K28 VanDerWaalsContact O-N 3.16Å; K28-V30 PolarHBondContact O-N 3.24Å; K28-Q31 CarbonylContact O-C 3.56Å; K28-Q31 WeakPolarHBondContact O-CB 3.16Å; K28-Q31 PolarHBondContact O-N 2.87Å; K28-Q31 VanDerWaalsContact O-N 3.16Å; K28-S32 WeakPolarHBondContact O-CB 3.16Å; K28-S32 PolarHBondContact O-N 3.48Å; K28-S32 PolarHBondContact O-OG 3.22Å; K28-S32 VanDerWaalsContact O-OG 3.1Å; K28-L59 HydrophobicContact CD-CD1 4.18Å; K28-L59 HydrophobicContact CD-CD2 3.82Å; K28-L59 HydrophobicContact CD-CG 4.43Å; K28-L59 VanDerWaalsContact NZ-CD2 3.29Å; K28-D62 WeakPolarHBondContact CE-OD2 3.22Å; K28-D62 IonicContact NZ-OD2 3.92Å; K28-D62 PolarHBondContact NZ-OD2 3.23Å
29W90.3Very high89.9Confident73 Ų7371.3 Ų71.328%0.27740%0.4SS..Hα-helixtrans-64.5-38.4178.9-62.7-12000113.1V21 L25 S26 T27 Q31 S32 A33 I38 F57V21-W29 HydrophobicContact CB-CH2 4.37Å; V21-W29 HydrophobicContact CB-CZ3 4.44Å; V21-W29 HydrophobicContact CG1-CH2 3.66Å; V21-W29 HydrophobicContact CG1-CZ3 3.97Å; V21-W29 HydrophobicContact CG2-CZ3 4.14Å; L25-W29 VanDerWaalsContact O-CD1 3.32Å; L25-W29 PolarHBondContact O-N 3.48Å; S26-W29 PolarHBondContact O-N 3.06Å; T27-W29 VanDerWaalsContact C-N 3.34Å; T27-W29 PolarHBondContact O-N 3.28Å; W29-Q31 VanDerWaalsContact C-N 3.33Å; W29-S32 CarbonylContact O-C 3.5Å; W29-S32 PolarHBondContact O-N 3.31Å; W29-A33 PolarHBondContact O-N 3.49Å; W29-I38 HydrophobicContact CD2-CD1 3.89Å; W29-I38 HydrophobicContact CG-CD1 3.97Å; W29-I38 HydrophobicContact CZ2-CD1 4.24Å; W29-F57 AromaticContact CZ2-CE1 3.94Å; W29-F57 HydrophobicContact CZ2-CE1 3.94Å; W29-F57 HydrophobicContact CZ2-CE2 4.36Å; W29-F57 AromaticContact CZ2-CZ 3.8Å; W29-F57 HydrophobicContact CZ2-CZ 3.8Å; W29-F57 AromaticContact NE1-CZ 3.91Å
30V90Very high89.7Confident114 Ų11477.2 Ų77.269%0.69142%0.418SS*.Hα-helixtrans-64.2-39.5173.2173.50000110.8S26 T27 K28 A33S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.31Å; T27-V30 PolarHBondContact O-N 2.97Å; K28-V30 PolarHBondContact O-N 3.24Å; V30-A33 WeakPolarHBondContact O-CB 3.43Å; V30-A33 PolarHBondContact O-N 2.82Å
31Q86.3Confident89.6Confident109 Ų10975.7 Ų75.751%0.50942%0.415SS..Hα-helixtrans-70.8-30.3176.4-69.7170.2-6.200113.2T27 K28 W29 A33 F67T27-Q31 WeakPolarHBondContact O-CG 3.22Å; T27-Q31 PolarHBondContact O-N 3.29Å; K28-Q31 CarbonylContact O-C 3.56Å; K28-Q31 WeakPolarHBondContact O-CB 3.16Å; K28-Q31 PolarHBondContact O-N 2.87Å; K28-Q31 VanDerWaalsContact O-N 3.16Å; W29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-A33 PolarHBondContact O-N 3.3Å; Q31-F67 VanDerWaalsContact OE1-CE2 3.23Å; Q31-F67 VanDerWaalsContact OE1-CZ 3.28Å
32S85.8Confident89.6Confident11 Ų1180.5 Ų80.58%0.07743%0.428CS..THydrogen-bonded Turntrans-81.97.7174.1-60.40000113K28 W29 G34 R35K28-S32 WeakPolarHBondContact O-CB 3.16Å; K28-S32 PolarHBondContact O-N 3.48Å; K28-S32 PolarHBondContact O-OG 3.22Å; K28-S32 VanDerWaalsContact O-OG 3.1Å; W29-S32 CarbonylContact O-C 3.5Å; W29-S32 PolarHBondContact O-N 3.31Å; S32-G34 PolarHBondContact O-N 3.1Å; S32-R35 WeakPolarHBondContact O-CB 3.14Å; S32-R35 PolarHBondContact O-N 2.92Å
33A82.9Confident89.6Confident82 Ų8283.3 Ų83.368%0.67845%0.445SS*.THydrogen-bonded Turntrans-53.2128.8177.100000110.7W29 V30 Q31W29-A33 PolarHBondContact O-N 3.49Å; V30-A33 WeakPolarHBondContact O-CB 3.43Å; V30-A33 PolarHBondContact O-N 2.82Å; Q31-A33 PolarHBondContact O-N 3.3Å
34G83.1Confident89.6Confident84 Ų8478.5 Ų78.587%0.86643%0.429SS*.THydrogen-bonded Turntrans98.2-14.1-174.100000114.8S32S32-G34 PolarHBondContact O-N 3.1Å
35R84.3Confident89.6Confident114 Ų11484.4 Ų84.443%0.4346%0.456SS..  trans-79.7139.9169.4-64.7-172.3-179.5-178.30.6110.6S32 E37 D62 C64S32-R35 WeakPolarHBondContact O-CB 3.14Å; S32-R35 PolarHBondContact O-N 2.92Å; R35-E37 VanDerWaalsContact C-N 3.29Å; R35-E37 PolarHBondContact O-N 3.43Å; R35-D62 IonicContact CZ-OD1 3.58Å; R35-D62 IonicContact NH1-OD1 3.85Å; R35-D62 PolarHBondContact NH1-OD1 2.65Å; R35-D62 IonicContact NH1-OD2 2.69Å; R35-C64 PolarHBondContact NH2-SG 3.44Å
36P85.3Confident89.4Confident143 Ų14386.9 Ų86.993%0.92947%0.472SS*.SBendtrans-71.8-24.4-179.629.1-35.2000112.9
37E88.5Confident89.1Confident81 Ų8194.2 Ų94.238%0.37950%0.501SS..  trans-135.6131-175-172.4177.716800109.9R35 R40R35-E37 VanDerWaalsContact C-N 3.29Å; R35-E37 PolarHBondContact O-N 3.43Å; E37-R40 WeakPolarHBondContact OE1-CG 3.21Å; E37-R40 IonicContact OE1-CZ 2.99Å; E37-R40 IonicContact OE1-NE 2.93Å; E37-R40 PolarHBondContact OE1-NE 3.42Å; E37-R40 IonicContact OE1-NH2 3.32Å; E37-R40 PolarHBondContact OE1-NH2 2.89Å; E37-R40 IonicContact OE2-NH2 3.59Å; E37-R40 PolarHBondContact OE2-NH2 3.04Å
38I90Very high88.7Confident57 Ų5795.7 Ų95.729%0.29251%0.51SS..SBendtrans-107.8-9.6175.159.3177.1000112.5W29 A60W29-I38 HydrophobicContact CD2-CD1 3.89Å; W29-I38 HydrophobicContact CG-CD1 3.97Å; W29-I38 HydrophobicContact CZ2-CD1 4.24Å; I38-A60 PolarHBondContact O-N 2.68Å; I38-A60 VanDerWaalsContact O-N 3.12Å
39G91.7Very high88.3Confident17 Ų17101 Ų10118%0.17555%0.552CS.*EExtended strand (participates in β ladder)trans152.6-176.8-174.700000112.2C58G39-C58 CarbonylContact C-O 3.44Å; G39-C58 WeakPolarHBondContact CA-O 3.32Å
40R94.2Very high87.9Confident169 Ų169101 Ų10164%0.63857%0.574SS**EExtended strand (participates in β ladder)trans-126.9144.1-176.1-60.7-174.2-177.2-153.8-5.9110.9E37 C58E37-R40 WeakPolarHBondContact OE1-CG 3.21Å; E37-R40 IonicContact OE1-CZ 2.99Å; E37-R40 IonicContact OE1-NE 2.93Å; E37-R40 PolarHBondContact OE1-NE 3.42Å; E37-R40 IonicContact OE1-NH2 3.32Å; E37-R40 PolarHBondContact OE1-NH2 2.89Å; E37-R40 IonicContact OE2-NH2 3.59Å; E37-R40 PolarHBondContact OE2-NH2 3.04Å; R40-C58 PolarHBondContact N-O 3.42Å; R40-C58 PolarHBondContact O-N 3.08Å
41I95.6Very high87.4Confident104 Ų10497.1 Ų97.153%0.53356%0.557SS.*EExtended strand (participates in β ladder)trans-95.4118.2170.6-61.7173.3000108V43 V55 K56 F57 F78I41-V43 HydrophobicContact CG2-CG2 4.16Å; I41-V55 HydrophobicContact CG2-CG1 3.68Å; I41-K56 CarbonylContact C-O 3.53Å; I41-K56 WeakPolarHBondContact CA-O 3.38Å; I41-F57 HydrophobicContact CG1-CD2 4.11Å; I41-F78 HydrophobicContact CD1-CE2 4.26Å
42R95.2Very high87.3Confident147 Ų147101.2 Ų101.256%0.55557%0.573SS**EExtended strand (participates in β ladder)trans-96122.5173.4-173.6-179.1-67.6175.1-0.1109.1V44 V55 K56R42-V44 HydrophobicContact CG-CG2 4.17Å; R42-V55 WeakPolarHBondContact O-CA 3.19Å; R42-K56 PolarHBondContact N-O 3.03Å; R42-K56 PolarHBondContact O-N 3.41Å
43V94.7Very high87.6Confident82 Ų82104.1 Ų104.150%0.49759%0.59SS.*EExtended strand (participates in β ladder)trans-110.7113.3176-177.80000108.4I41 T53 V55I41-V43 HydrophobicContact CG2-CG2 4.16Å; V43-T53 HydrophobicContact CG1-CG2 3.6Å; V43-V55 HydrophobicContact CG1-CG2 4.37Å; V43-V55 HydrophobicContact CG2-CG1 4.36Å; V43-V55 HydrophobicContact CG2-CG2 4.39Å
44V93Very high88Confident66 Ų66103.3 Ų103.340%0.457%0.572SS.*EExtended strand (participates in β ladder)trans-102.2108.9176.7-175.50000107.9R42 T53 E54R42-V44 HydrophobicContact CG-CG2 4.17Å; V44-T53 WeakPolarHBondContact O-CA 3.35Å; V44-E54 HydrophobicContact CB-CB 4.33Å; V44-E54 PolarHBondContact N-O 3.25Å; V44-E54 PolarHBondContact O-N 3.06Å
45K89.3Confident88.6Confident166 Ų16699.6 Ų99.672%0.72253%0.533SS*.  trans-73.1146174.4-68.7-177.4-178.1177.40109.7
46P89Confident89.2Confident52 Ų5296.3 Ų96.334%0.33852%0.521SS..  trans-64.4139.3177.230.8-38000110.9G51P46-G51 VanDerWaalsContact CB-O 3.3Å; P46-G51 WeakPolarHBondContact CB-O 3.41Å; P46-G51 VanDerWaalsContact CG-O 3.24Å; P46-G51 WeakPolarHBondContact CG-O 3.5Å
47Q84.4Confident89.7Confident201 Ų20190 Ų9094%0.93948%0.479SS*.SBendtrans-82.3-18.9174.5-70.2-175.2-25.700112.8
48T83.1Confident89.9Confident105 Ų10587.3 Ų87.364%0.64447%0.469SS*.SBendtrans-113.2151.9-179.852.40000111.1G50 G51T48-G50 PolarHBondContact O-N 3.19Å; T48-G51 PolarHBondContact O-N 2.93Å
49S77.4Confident89.9Confident145 Ų14585.3 Ų85.3100%1.01446%0.459SS*.THydrogen-bonded Turntrans-62.1-2.6-17349.10000116.2
50G81.7Confident89.5Confident72 Ų7285.5 Ų85.574%0.74246%0.459SS*.THydrogen-bonded Turntrans-128.25.5174.700000114.5T48T48-G50 PolarHBondContact O-N 3.19Å
51G80.6Confident88.5Confident32 Ų3282.9 Ų82.933%0.3346%0.458SS..PPolyproline II helixtrans-70.4152.2-179.600000111.7P46 T48P46-G51 VanDerWaalsContact CB-O 3.3Å; P46-G51 WeakPolarHBondContact CB-O 3.41Å; P46-G51 VanDerWaalsContact CG-O 3.24Å; P46-G51 WeakPolarHBondContact CG-O 3.5Å; T48-G51 PolarHBondContact O-N 2.93Å
52K84.6Confident86.9Confident196 Ų19679.3 Ų79.385%0.85244%0.44SS*.PPolyproline II helixtrans-88.4138172.8-65.7-179.3-178.6178.10109.2E54K52-E54 PolarHBondContact O-N 3.24Å
53T90.5Very high84.9Confident71 Ų7175.7 Ų75.744%0.43645%0.448SS..PPolyproline II helixtrans-61.4122.8168.6-580000109V43 V44 V55V43-T53 HydrophobicContact CG1-CG2 3.6Å; V44-T53 WeakPolarHBondContact O-CA 3.35Å; T53-V55 HydrophobicContact CG2-CG2 4.23Å
54E92.9Very high82.5Confident66 Ų6674.8 Ų74.831%0.30845%0.445SS..EExtended strand (participates in β ladder)trans-94.6128.8174.6-173178.5-151.500109.2V44 K52 K56 Q77V44-E54 HydrophobicContact CB-CB 4.33Å; V44-E54 PolarHBondContact N-O 3.25Å; V44-E54 PolarHBondContact O-N 3.06Å; K52-E54 PolarHBondContact O-N 3.24Å; E54-K56 HydrophobicContact CG-CG 4.12Å; E54-K56 WeakPolarHBondContact OE1-CE 3.38Å; E54-K56 IonicContact OE1-NZ 3.9Å; E54-K56 VanDerWaalsContact OE2-CE 3.3Å; E54-K56 WeakPolarHBondContact OE2-CE 3.12Å; E54-K56 IonicContact OE2-NZ 3.49Å; E54-Q77 PolarHBondContact OE1-NE2 2.97Å
55V95.5Very high80.1Confident6 Ų678.4 Ų78.44%0.03646%0.462CS..EExtended strand (participates in β ladder)trans-117.8129.7177.4-177.10000107.9W17 I41 R42 V43 T53 F78W17-V55 HydrophobicContact CH2-CG2 4.14Å; W17-V55 HydrophobicContact CZ3-CG1 4.3Å; W17-V55 HydrophobicContact CZ3-CG2 4.35Å; I41-V55 HydrophobicContact CG2-CG1 3.68Å; R42-V55 WeakPolarHBondContact O-CA 3.19Å; V43-V55 HydrophobicContact CG1-CG2 4.37Å; V43-V55 HydrophobicContact CG2-CG1 4.36Å; V43-V55 HydrophobicContact CG2-CG2 4.39Å; T53-V55 HydrophobicContact CG2-CG2 4.23Å; V55-F78 HydrophobicContact CB-CB 3.95Å; V55-F78 HydrophobicContact CG1-CB 3.93Å; V55-F78 HydrophobicContact CG1-CD2 3.83Å; V55-F78 HydrophobicContact CG1-CG 4.15Å; V55-F78 PolarHBondContact O-N 3.46Å
56K95.4Very high78Confident44 Ų4474.5 Ų74.519%0.19146%0.461CS..EExtended strand (participates in β ladder)trans-131.5144.3179-54.2-165.7-177178.70111I41 R42 E54 E75 H76I41-K56 CarbonylContact C-O 3.53Å; I41-K56 WeakPolarHBondContact CA-O 3.38Å; R42-K56 PolarHBondContact N-O 3.03Å; R42-K56 PolarHBondContact O-N 3.41Å; E54-K56 HydrophobicContact CG-CG 4.12Å; E54-K56 WeakPolarHBondContact OE1-CE 3.38Å; E54-K56 IonicContact OE1-NZ 3.9Å; E54-K56 VanDerWaalsContact OE2-CE 3.3Å; E54-K56 WeakPolarHBondContact OE2-CE 3.12Å; E54-K56 IonicContact OE2-NZ 3.49Å; K56-E75 HydrophobicContact CB-CG 4.31Å; K56-E75 HydrophobicContact CD-CG 3.88Å; K56-E75 WeakPolarHBondContact CD-OE1 3.48Å; K56-E75 VanDerWaalsContact CE-OE1 3.3Å; K56-E75 WeakPolarHBondContact CE-OE1 3.39Å; K56-E75 IonicContact NZ-OE1 2.82Å; K56-E75 PolarHBondContact NZ-OE1 3.05Å; K56-H76 CarbonylContact C-O 3.54Å; K56-H76 WeakPolarHBondContact CA-O 3.36Å
57F95.7Very high76.1Confident10 Ų1077.8 Ų77.84%0.04447%0.47CS..EExtended strand (participates in β ladder)trans-101.7120.7169.2176.1-104.7000109.3L25 W29 I41 L59 E75 H76 F78L25-F57 HydrophobicContact CD1-CD1 4.35Å; L25-F57 HydrophobicContact CD1-CE1 4.4Å; W29-F57 AromaticContact CZ2-CE1 3.94Å; W29-F57 HydrophobicContact CZ2-CE1 3.94Å; W29-F57 HydrophobicContact CZ2-CE2 4.36Å; W29-F57 AromaticContact CZ2-CZ 3.8Å; W29-F57 HydrophobicContact CZ2-CZ 3.8Å; W29-F57 AromaticContact NE1-CZ 3.91Å; I41-F57 HydrophobicContact CG1-CD2 4.11Å; F57-L59 HydrophobicContact CE1-CB 4.42Å; F57-L59 HydrophobicContact CE1-CD1 3.8Å; F57-L59 HydrophobicContact CZ-CD1 4.14Å; F57-E75 CarbonylContact O-C 3.38Å; F57-E75 WeakPolarHBondContact O-CA 3.36Å; F57-H76 PolarHBondContact N-O 3.2Å; F57-H76 PolarHBondContact O-N 3.22Å; F57-F78 HydrophobicContact CB-CD1 4.17Å; F57-F78 HydrophobicContact CB-CE1 3.36Å; F57-F78 HydrophobicContact CB-CZ 3.67Å; F57-F78 HydrophobicContact CG-CE1 4.25Å; F57-F78 HydrophobicContact CG-CZ 4.29Å
58C93.2Very high74.5Confident25 Ų2575.4 Ų75.417%0.16946%0.456CS..EExtended strand (participates in β ladder)trans-104.4114.3175.5-57.80000107.8G39 R40 L74G39-C58 CarbonylContact C-O 3.44Å; G39-C58 WeakPolarHBondContact CA-O 3.32Å; R40-C58 PolarHBondContact N-O 3.42Å; R40-C58 PolarHBondContact O-N 3.08Å; C58-L74 CarbonylContact C-O 3.44Å; C58-L74 WeakPolarHBondContact CA-O 3.39Å
59L89.6Confident73.1Confident16 Ų1672.9 Ų72.98%0.08444%0.441CS..EExtended strand (participates in β ladder)trans-63141.6176.4-163.369.1000109.6L25 K28 F57 D61 I72 L74L25-L59 HydrophobicContact CD2-CD1 4.15Å; K28-L59 HydrophobicContact CD-CD1 4.18Å; K28-L59 HydrophobicContact CD-CD2 3.82Å; K28-L59 HydrophobicContact CD-CG 4.43Å; K28-L59 VanDerWaalsContact NZ-CD2 3.29Å; F57-L59 HydrophobicContact CE1-CB 4.42Å; F57-L59 HydrophobicContact CE1-CD1 3.8Å; F57-L59 HydrophobicContact CZ-CD1 4.14Å; L59-D61 PolarHBondContact O-N 3.06Å; L59-I72 HydrophobicContact CD2-CG2 4.48Å; L59-L74 PolarHBondContact N-O 2.7Å
60A84.5Confident72.1Confident21 Ų2173.1 Ų73.117%0.17443%0.426CS..  trans-63133171.600000109I38 D62I38-A60 PolarHBondContact O-N 2.68Å; I38-A60 VanDerWaalsContact O-N 3.12Å; A60-D62 VanDerWaalsContact C-N 3.3Å; A60-D62 PolarHBondContact O-N 3.24Å
61D72.6Confident71.8Confident113 Ų11375.4 Ų75.460%0.60442%0.417SS*.  trans-74.693171.3-167.57.5000107.7L59 G63L59-D61 PolarHBondContact O-N 3.06Å; D61-G63 PolarHBondContact O-N 3.26Å
62D61.9Low72Confident29 Ų2975.8 Ų75.816%0.15541%0.412CS..  trans-73.784172.9-64-50.7000106.6K28 R35 A60 C64K28-D62 WeakPolarHBondContact CE-OD2 3.22Å; K28-D62 IonicContact NZ-OD2 3.92Å; K28-D62 PolarHBondContact NZ-OD2 3.23Å; R35-D62 IonicContact CZ-OD1 3.58Å; R35-D62 IonicContact NH1-OD1 3.85Å; R35-D62 PolarHBondContact NH1-OD1 2.65Å; R35-D62 IonicContact NH1-OD2 2.69Å; A60-D62 VanDerWaalsContact C-N 3.3Å; A60-D62 PolarHBondContact O-N 3.24Å; D62-C64 CarbonylContact O-C 3.58Å; D62-C64 PolarHBondContact O-N 3.48Å
63G53.5Low72.1Confident71 Ų7167 Ų6773%0.73238%0.375SS*.  trans-55.4917800000115.8D61D61-G63 PolarHBondContact O-N 3.26Å
64C44.6Very low72.1Confident63 Ų6367.5 Ų67.543%0.42637%0.374SS..SBendtrans-90.9105.4164.643.90000110.3R35 D62 A66R35-C64 PolarHBondContact NH2-SG 3.44Å; D62-C64 CarbonylContact O-C 3.58Å; D62-C64 PolarHBondContact O-N 3.48Å; C64-A66 PolarHBondContact O-N 2.94Å
65N41.5Very low72Confident142 Ų14267.9 Ų67.976%0.75938%0.376SS*.THydrogen-bonded Turntrans-5224.9177.1-80.2-29.4000117.8F67N65-F67 PolarHBondContact O-N 3.22Å
66A46.5Very low72Confident84 Ų8467.6 Ų67.669%0.69437%0.374SS*.THydrogen-bonded Turntrans-69.6-22.9-178.700000113C64C64-A66 PolarHBondContact O-N 2.94Å
67F48.4Very low72Confident121 Ų12169.8 Ų69.853%0.53139%0.385SS..SBendtrans-127.2133.4162.7-68.3-87000106Q31 N65 T69Q31-F67 VanDerWaalsContact OE1-CE2 3.23Å; Q31-F67 VanDerWaalsContact OE1-CZ 3.28Å; N65-F67 PolarHBondContact O-N 3.22Å; F67-T69 PolarHBondContact O-N 3.35Å
68K51.7Low72.1Confident151 Ų15170 Ų7066%0.65739%0.386SS*.  trans-54.7106.6171.2-70.5-176.3178.7-176.70106.9E70 E71K68-E70 HydrophobicContact CB-CB 4.49Å; K68-E70 PolarHBondContact O-N 2.91Å; K68-E71 PolarHBondContact O-N 3.15Å
69T51.9Low72.2Confident52 Ų5271.1 Ų71.132%0.31939%0.392SS..THydrogen-bonded Turntrans-53.4-17-178.9-39.80000111.3F67 E71 L74F67-T69 PolarHBondContact O-N 3.35Å; T69-E71 VanDerWaalsContact C-N 3.29Å; T69-E71 PolarHBondContact O-N 3.48Å; T69-L74 HydrophobicContact CG2-CD2 4.06Å
70E56.7Low72.3Confident151 Ų15173.2 Ų73.271%0.70641%0.405SS*.THydrogen-bonded Turntrans-61-21.3174.2-59.2-173160.300115.9K68K68-E70 HydrophobicContact CB-CB 4.49Å; K68-E70 PolarHBondContact O-N 2.91Å
71E75.8Confident72.7Confident120 Ų12074.8 Ų74.856%0.56142%0.415SS*.SBendtrans-93.9-31.1-173-68.9-168.6172.100114.9K68 T69 M131K68-E71 PolarHBondContact O-N 3.15Å; T69-E71 VanDerWaalsContact C-N 3.29Å; T69-E71 PolarHBondContact O-N 3.48Å; E71-M131 VanDerWaalsContact O-SD 3.36Å
72I84.2Confident73.3Confident40 Ų4072.2 Ų72.221%0.20542%0.415CS..SBendtrans-102.8131.6-176-58176.6000109.8Y24 L25 L59 L74 M131Y24-I72 HydrophobicContact CD2-CG2 3.68Å; Y24-I72 HydrophobicContact CE2-CG2 3.68Å; L25-I72 HydrophobicContact CD2-CG2 4.49Å; L59-I72 HydrophobicContact CD2-CG2 4.48Å; I72-L74 PolarHBondContact O-N 3.2Å; I72-M131 HydrophobicContact CG1-SD 3.96Å
73P88.3Confident74.6Confident12 Ų1272.1 Ų72.18%0.07842%0.416CS..  trans-57.7136.2174.4-24.935.3000112.4H76 P122 P123 Y128P73-H76 PolarHBondContact O-CE1 2.94Å; P73-P122 HydrophobicContact CG-CB 4.27Å; P73-P123 HydrophobicContact CB-CG 3.63Å; P73-P123 HydrophobicContact CG-CG 4.17Å; P73-Y128 HydrophobicContact CG-CD2 3.97Å; P73-Y128 HydrophobicContact CG-CG 4.2Å
74L89Confident76.2Confident81 Ų8173.4 Ų73.442%0.42441%0.413SS..SBendtrans-78.3-27.1176.7-65.7176.7000112.5C58 L59 T69 I72C58-L74 CarbonylContact C-O 3.44Å; C58-L74 WeakPolarHBondContact CA-O 3.39Å; L59-L74 PolarHBondContact N-O 2.7Å; T69-L74 HydrophobicContact CG2-CD2 4.06Å; I72-L74 PolarHBondContact O-N 3.2Å
75E92.1Very high78.3Confident73 Ų7380.2 Ų80.234%0.34144%0.436SS..EExtended strand (participates in β ladder)trans-119.6133.6-175-173175.4123.800111K56 F57 P123K56-E75 HydrophobicContact CB-CG 4.31Å; K56-E75 HydrophobicContact CD-CG 3.88Å; K56-E75 WeakPolarHBondContact CD-OE1 3.48Å; K56-E75 VanDerWaalsContact CE-OE1 3.3Å; K56-E75 WeakPolarHBondContact CE-OE1 3.39Å; K56-E75 IonicContact NZ-OE1 2.82Å; K56-E75 PolarHBondContact NZ-OE1 3.05Å; F57-E75 CarbonylContact O-C 3.38Å; F57-E75 WeakPolarHBondContact O-CA 3.36Å; E75-P123 WeakPolarHBondContact O-CD 3.33Å; E75-P123 WeakPolarHBondContact O-CG 3.46Å
76H95.2Very high80.7Confident1 Ų178.5 Ų78.51%0.00542%0.423CS..EExtended strand (participates in β ladder)trans-131.5134.1178.5-59.577.4000110.5Y24 K56 F57 P73 C120 R121Y24-H76 AromaticContact CE2-NE2 3.51Å; Y24-H76 AromaticContact CZ-NE2 3.62Å; Y24-H76 PolarHBondContact OH-CD2 3.02Å; Y24-H76 VanDerWaalsContact OH-CD2 3.3Å; Y24-H76 PolarHBondContact OH-NE2 2.76Å; K56-H76 CarbonylContact C-O 3.54Å; K56-H76 WeakPolarHBondContact CA-O 3.36Å; F57-H76 PolarHBondContact N-O 3.2Å; F57-H76 PolarHBondContact O-N 3.22Å; P73-H76 PolarHBondContact O-CE1 2.94Å; H76-C120 WeakPolarHBondContact CB-SG 3.43Å; H76-R121 CarbonylContact C-O 3.58Å; H76-R121 VanDerWaalsContact CA-O 3.26Å; H76-R121 WeakPolarHBondContact CA-O 3.26Å; H76-R121 WeakPolarHBondContact CB-O 3.43Å
77Q95.8Very high82.9Confident89 Ų8978.4 Ų78.442%0.41642%0.423SS..EExtended strand (participates in β ladder)trans-84.9133.2178.3-170.2-178.125.300110.6E54 V79 R121E54-Q77 PolarHBondContact OE1-NE2 2.97Å; Q77-V79 PolarHBondContact O-N 3.29Å; Q77-R121 PolarHBondContact N-O 2.79Å; Q77-R121 PolarHBondContact O-N 3.5Å
78F96.8Very high85.1Confident15 Ų1574 Ų747%0.06640%0.404CS..EExtended strand (participates in β ladder)trans-89.6104.3169.6-76.914.5000108.8V19 I41 V55 F57 T80 A118 E119 C120V19-F78 HydrophobicContact CG1-CD1 4.48Å; V19-F78 HydrophobicContact CG1-CD2 4.26Å; V19-F78 HydrophobicContact CG1-CE1 4.14Å; V19-F78 HydrophobicContact CG1-CE2 3.91Å; V19-F78 HydrophobicContact CG1-CZ 3.84Å; V19-F78 HydrophobicContact CG2-CD2 4.36Å; V19-F78 HydrophobicContact CG2-CE2 4.01Å; I41-F78 HydrophobicContact CD1-CE2 4.26Å; V55-F78 HydrophobicContact CB-CB 3.95Å; V55-F78 HydrophobicContact CG1-CB 3.93Å; V55-F78 HydrophobicContact CG1-CD2 3.83Å; V55-F78 HydrophobicContact CG1-CG 4.15Å; V55-F78 PolarHBondContact O-N 3.46Å; F57-F78 HydrophobicContact CB-CD1 4.17Å; F57-F78 HydrophobicContact CB-CE1 3.36Å; F57-F78 HydrophobicContact CB-CZ 3.67Å; F57-F78 HydrophobicContact CG-CE1 4.25Å; F57-F78 HydrophobicContact CG-CZ 4.29Å; F78-T80 PolarHBondContact O-N 3.38Å; F78-A118 HydrophobicContact CB-CB 4.2Å; F78-E119 WeakPolarHBondContact CA-O 3.5Å; F78-C120 HydrophobicContact CD1-CB 3.81Å; F78-C120 HydrophobicContact CE1-CB 3.59Å
79V95.1Very high87.1Confident49 Ų4970.5 Ų70.530%0.29740%0.396SS..EExtended strand (participates in β ladder)trans-82.9103.4174.4-178.20000108.1Q77 A118 E119 R121Q77-V79 PolarHBondContact O-N 3.29Å; V79-A118 CarbonylContact O-C 3.53Å; V79-A118 WeakPolarHBondContact O-CA 3.34Å; V79-E119 PolarHBondContact N-O 3.18Å; V79-E119 PolarHBondContact O-N 3.04Å; V79-R121 HydrophobicContact CG2-CG 4.03Å
80T93Very high89.2Confident59 Ų5969.5 Ų69.536%0.36239%0.393SS..EExtended strand (participates in β ladder)trans-80.2143.3-176.5620000112.7W17 F78 Q116 K117 A118W17-T80 HydrophobicContact CH2-CG2 4.4Å; W17-T80 HydrophobicContact CZ3-CG2 4.25Å; F78-T80 PolarHBondContact O-N 3.38Å; T80-Q116 VanDerWaalsContact CB-NE2 3.33Å; T80-Q116 HydrophobicContact CG2-CG 4.36Å; T80-K117 CarbonylContact C-O 3.58Å; T80-K117 VanDerWaalsContact CA-O 3.3Å; T80-K117 WeakPolarHBondContact CA-O 3.41Å; T80-A118 HydrophobicContact CG2-CB 4.22Å
81S91.2Very high91.1Very high55 Ų5567.3 Ų67.339%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-128.5145.9172.455.30000111K117S81-K117 PolarHBondContact N-O 3.17Å; S81-K117 PolarHBondContact O-N 2.83Å; S81-K117 WeakPolarHBondContact OG-CB 3.16Å
82G85.5Confident91.9Very high58 Ų5864.3 Ų64.360%0.59838%0.376SS*.  trans-68.6155.3176.600000112.2
83V89.8Confident92.3Very high28 Ų2867 Ų6717%0.1739%0.388CS..  trans-115.120179.2-62.90000112.9F85 Q86 M88 I114 V115 K117V83-F85 PolarHBondContact O-N 3.16Å; V83-F85 VanDerWaalsContact O-N 3.12Å; V83-Q86 PolarHBondContact O-N 3.24Å; V83-M88 HydrophobicContact CB-CE 4.05Å; V83-M88 HydrophobicContact CG1-CE 3.64Å; V83-I114 HydrophobicContact CG1-CG2 4.37Å; V83-V115 VanDerWaalsContact CG2-O 3.31Å; V83-V115 WeakPolarHBondContact CG2-O 3.4Å; V83-K117 HydrophobicContact CG1-CB 4.05Å; V83-K117 HydrophobicContact CG1-CD 3.97Å; V83-K117 HydrophobicContact CG1-CG 3.57Å
84S86.5Confident92.4Very high97 Ų9769.8 Ų69.868%0.67840%0.402SS*.THydrogen-bonded Turntrans-58.4-29.8-171.348.50000114.6
85F90Very high92.5Very high206 Ų20668.4 Ų68.490%0.90440%0.397SS*.THydrogen-bonded Turntrans-96.50.8-174.9-47.9-73.2000113.8V83V83-F85 PolarHBondContact O-N 3.16Å; V83-F85 VanDerWaalsContact O-N 3.12Å
86Q91.3Very high92.3Very high106 Ų10668.9 Ų68.950%0.49541%0.409SS..  trans-146.9117.1-176.7-168-175.114.700111.1V83 M88V83-Q86 PolarHBondContact O-N 3.24Å; Q86-M88 HydrophobicContact CG-CG 3.79Å; Q86-M88 HydrophobicContact CG-SD 4.43Å
87A92.2Very high91.6Very high82 Ų8275.5 Ų75.568%0.67844%0.444SS*.  trans-79.2124.8167.700000109.4
88M94.5Very high90.9Very high29 Ų2972.6 Ų72.614%0.14343%0.433CS..  trans-132.8146.4175-48.4162.8-75.300109.6L18 V83 Q86 I114 K117L18-M88 HydrophobicContact CD2-SD 4.37Å; V83-M88 HydrophobicContact CB-CE 4.05Å; V83-M88 HydrophobicContact CG1-CE 3.64Å; Q86-M88 HydrophobicContact CG-CG 3.79Å; Q86-M88 HydrophobicContact CG-SD 4.43Å; M88-I114 VanDerWaalsContact C-CD1 3.46Å; M88-I114 HydrophobicContact CB-CB 4.12Å; M88-I114 HydrophobicContact CB-CD1 3.75Å; M88-I114 HydrophobicContact CB-CG1 4.19Å; M88-I114 HydrophobicContact CE-CB 3.78Å; M88-I114 HydrophobicContact CE-CG2 3.51Å; M88-I114 WeakPolarHBondContact O-CD1 3.18Å; M88-I114 PolarHBondContact O-N 2.93Å; M88-K117 HydrophobicContact CE-CD 4.16Å; M88-K117 HydrophobicContact CE-CG 4.17Å; M88-K117 WeakPolarHBondContact SD-CE 3.22Å
89T94.9Very high90.2Very high78 Ų7881.3 Ų81.348%0.47947%0.474SS..EExtended strand (participates in β ladder)trans-135.4138.7-179.4-60.30000108.4V110 G112T89-V110 HydrophobicContact CG2-CG1 3.53Å; T89-G112 WeakPolarHBondContact CA-O 3.24Å; T89-G112 WeakPolarHBondContact CG2-O 3.25Å
90A96.2Very high89.6Confident31 Ų3182.1 Ų82.126%0.25648%0.477SS..EExtended strand (participates in β ladder)trans-91.3132.2171.100000109.7I16 V111 G112 I114I16-A90 HydrophobicContact CD1-CB 3.39Å; A90-V111 HydrophobicContact CB-CB 4.05Å; A90-V111 PolarHBondContact O-N 3.01Å; A90-G112 PolarHBondContact N-O 3.42Å; A90-I114 HydrophobicContact CB-CD1 4.38Å
91I95.3Very high88.9Confident104 Ų10482.8 Ų82.853%0.53348%0.482SS..EExtended strand (participates in β ladder)trans-117140.3176.3-57173.5000106.8L7 S109L7-I91 HydrophobicContact CD1-CG2 4.22Å; I91-S109 WeakPolarHBondContact CA-O 3.24Å; I91-S109 WeakPolarHBondContact CG2-O 3.5Å
92C93.8Very high88.3Confident58 Ų5887.7 Ų87.739%0.39250%0.503SS..EExtended strand (participates in β ladder)trans-119.3137.9175.6174.80000108.7S109 V111C92-S109 PolarHBondContact N-O 2.92Å; C92-S109 PolarHBondContact O-N 2.92Å; C92-V111 HydrophobicContact CB-CG2 3.51Å
93E92.3Very high88.1Confident97 Ų9790.9 Ų90.945%0.45351%0.507SS..EExtended strand (participates in β ladder)trans-107.6127.1171-178.5174-159.400108.6T95 G106 L108E93-T95 HydrophobicContact CG-CG2 3.93Å; E93-G106 PolarHBondContact OE1-N 2.89Å; E93-L108 HydrophobicContact CB-CD2 3.74Å; E93-L108 HydrophobicContact CG-CD2 3.81Å
94D90.3Very high87.8Confident69 Ų6993.1 Ų93.137%0.36952%0.518SS..EExtended strand (participates in β ladder)trans-106.5107.5173.6-179.97.5000109.4S96 G106 K107D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.08Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.02Å; D94-S96 PolarHBondContact OD2-OG 3.48Å; D94-G106 CarbonylContact O-C 3.45Å; D94-G106 VanDerWaalsContact O-CA 3.28Å; D94-G106 WeakPolarHBondContact O-CA 3.44Å; D94-K107 PolarHBondContact N-O 3.06Å; D94-K107 PolarHBondContact O-N 3.15Å
95T90.2Very high87.7Confident52 Ų5294.4 Ų94.432%0.31952%0.515SS..  trans-95.86.8-179.557.20000113.2E93 N97 C98E93-T95 HydrophobicContact CG-CG2 3.93Å; T95-N97 PolarHBondContact O-N 3.37Å; T95-N97 VanDerWaalsContact O-N 3.12Å; T95-C98 PolarHBondContact O-N 2.94Å; T95-C98 VanDerWaalsContact O-N 3.16Å
96S87.5Confident87.5Confident84 Ų8484.8 Ų84.859%0.58747%0.474SS*.THydrogen-bonded Turntrans-61.6-22.4-176.458.60000114.7D94D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.08Å; D94-S96 PolarHBondContact OD1-N 2.83Å; D94-S96 PolarHBondContact OD1-OG 3.02Å; D94-S96 PolarHBondContact OD2-OG 3.48Å
97N81.6Confident87.4Confident140 Ų14085.6 Ų85.675%0.74948%0.476SS*.THydrogen-bonded Turntrans-107.910.7-179.1-59.8-58.7000113.6T95T95-N97 PolarHBondContact O-N 3.37Å; T95-N97 VanDerWaalsContact O-N 3.12Å
98C81.9Confident87.5Confident27 Ų2784.6 Ų84.618%0.18246%0.459CS..  trans-87.2138.5176.6-66.50000110.2T95 P101 D104 G106T95-C98 PolarHBondContact O-N 2.94Å; T95-C98 VanDerWaalsContact O-N 3.16Å; C98-P101 HydrophobicContact CB-CG 4.5Å; C98-D104 HydrophobicContact CB-CB 3.93Å; C98-G106 VanDerWaalsContact SG-CA 3.56Å
99E81.3Confident87.5Confident199 Ų19984.8 Ų84.893%0.9346%0.463SS*.SBendtrans-70.7-37.2173.9-67.2-168.1164.300110.7
100D82.8Confident87.5Confident65 Ų6581.5 Ų81.535%0.34844%0.443SS..SBendtrans-123.789.1172.9-172-8.8000111.4L102 N103 D104D100-L102 PolarHBondContact O-N 3.4Å; D100-L102 WeakPolarHBondContact OD1-CB 3.42Å; D100-L102 PolarHBondContact OD1-N 3.29Å; D100-L102 VanDerWaalsContact OD1-N 3.15Å; D100-N103 PolarHBondContact O-N 3.21Å; D100-N103 VanDerWaalsContact O-N 3.09Å; D100-N103 PolarHBondContact OD2-ND2 2.94Å; D100-D104 PolarHBondContact N-OD2 3.26Å; D100-D104 VanDerWaalsContact N-OD2 3.07Å; D100-D104 VanDerWaalsContact O-CB 3.3Å; D100-D104 WeakPolarHBondContact O-CB 3.44Å; D100-D104 PolarHBondContact O-N 3.29Å
101P77.8Confident87.5Confident73 Ų7382.3 Ų82.347%0.47445%0.445SS..THydrogen-bonded Turntrans-58.9-13.8-179.6-25.234.4000115.4C98C98-P101 HydrophobicContact CB-CG 4.5Å
102L79.3Confident87.6Confident158 Ų15877.4 Ų77.483%0.82742%0.42SS*.THydrogen-bonded Turntrans-86.7-26.5179.6-13584.5000112.5D100D100-L102 PolarHBondContact O-N 3.4Å; D100-L102 WeakPolarHBondContact OD1-CB 3.42Å; D100-L102 PolarHBondContact OD1-N 3.29Å; D100-L102 VanDerWaalsContact OD1-N 3.15Å
103N81.5Confident87.7Confident126 Ų12681.4 Ų81.467%0.67443%0.427SS*.THydrogen-bonded Turntrans-119.5-27-172.6-68.2-50.8000113.4D100D100-N103 PolarHBondContact O-N 3.21Å; D100-N103 VanDerWaalsContact O-N 3.09Å; D100-N103 PolarHBondContact OD2-ND2 2.94Å
104D82.8Confident87.9Confident75 Ų7577.4 Ų77.440%0.40141%0.408SS..SBendtrans-86.3141179.6-66.4-30.1000111.3C98 D100 G106C98-D104 HydrophobicContact CB-CB 3.93Å; D100-D104 PolarHBondContact N-OD2 3.26Å; D100-D104 VanDerWaalsContact N-OD2 3.07Å; D100-D104 VanDerWaalsContact O-CB 3.3Å; D100-D104 WeakPolarHBondContact O-CB 3.44Å; D100-D104 PolarHBondContact O-N 3.29Å; D104-G106 PolarHBondContact O-N 3.27Å
105I83.9Confident88.1Confident123 Ų12377.4 Ų77.463%0.63141%0.411SS*.  trans-78.8121.5172.6-59.1173.9000108.3L108I105-L108 HydrophobicContact CG2-CD1 4.28Å; I105-L108 HydrophobicContact CG2-CG 4.3Å
106G86.6Confident88.3Confident4 Ų477.3 Ų77.34%0.04141%0.407CS..  trans-70.3178.8176.300000113.5E93 D94 C98 D104 L108E93-G106 PolarHBondContact OE1-N 2.89Å; D94-G106 CarbonylContact O-C 3.45Å; D94-G106 VanDerWaalsContact O-CA 3.28Å; D94-G106 WeakPolarHBondContact O-CA 3.44Å; C98-G106 VanDerWaalsContact SG-CA 3.56Å; D104-G106 PolarHBondContact O-N 3.27Å; G106-L108 PolarHBondContact O-N 3.11Å; G106-L108 VanDerWaalsContact O-N 3.16Å
107K89.9Confident88.7Confident124 Ų12476 Ų7654%0.53939%0.39SS..EExtended strand (participates in β ladder)trans-69.9115.3174.4-176.3-178.8175.5-173.10109.6D94D94-K107 PolarHBondContact N-O 3.06Å; D94-K107 PolarHBondContact O-N 3.15Å
108L92.9Very high89.4Confident60 Ų6069.5 Ų69.531%0.31436%0.356SS..EExtended strand (participates in β ladder)trans-85.4135.2178.8-59.3178.8000111.8L7 D8 E93 I105 G106L7-L108 HydrophobicContact CD1-CB 3.68Å; D8-L108 PolarHBondContact N-O 3.41Å; E93-L108 HydrophobicContact CB-CD2 3.74Å; E93-L108 HydrophobicContact CG-CD2 3.81Å; I105-L108 HydrophobicContact CG2-CD1 4.28Å; I105-L108 HydrophobicContact CG2-CG 4.3Å; G106-L108 PolarHBondContact O-N 3.11Å; G106-L108 VanDerWaalsContact O-N 3.16Å
109S94.4Very high90.1Very high33 Ų3371.1 Ų71.123%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-140144175.365.80000112.6D8 I91 C92D8-S109 CarbonylContact O-C 3.45Å; D8-S109 WeakPolarHBondContact O-CA 3.46Å; I91-S109 WeakPolarHBondContact CA-O 3.24Å; I91-S109 WeakPolarHBondContact CG2-O 3.5Å; C92-S109 PolarHBondContact N-O 2.92Å; C92-S109 PolarHBondContact O-N 2.92Å
110V96.2Very high90.8Very high10 Ų1062.1 Ų62.16%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-81.7118.9171.8178.20000108.7L7 D8 H11 R12 T89L7-V110 HydrophobicContact CD1-CG2 4Å; L7-V110 HydrophobicContact CD2-CG2 3.74Å; L7-V110 HydrophobicContact CG-CG2 3.87Å; D8-V110 PolarHBondContact O-N 2.99Å; H11-V110 WeakPolarHBondContact CB-O 3.06Å; R12-V110 HydrophobicContact CB-CG1 4.29Å; T89-V110 HydrophobicContact CG2-CG1 3.53Å
111V95.9Very high91.4Very high48 Ų4864.7 Ų64.729%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-77.1-40.9177.1179.40000111H11 R14 A90 C92H11-V111 WeakPolarHBondContact CB-O 3.41Å; R14-V111 WeakPolarHBondContact CD-O 3.32Å; A90-V111 HydrophobicContact CB-CB 4.05Å; A90-V111 PolarHBondContact O-N 3.01Å; C92-V111 HydrophobicContact CB-CG2 3.51Å
112G96.6Very high92.2Very high0 Ų062.5 Ų62.50%031%0.31CS..EExtended strand (participates in β ladder)trans161.1174.2-179.700000114.1H11 R14 T89 A90H11-G112 WeakPolarHBondContact O-CA 3.43Å; R14-G112 CarbonylContact O-C 3.47Å; R14-G112 WeakPolarHBondContact O-CA 3.36Å; T89-G112 WeakPolarHBondContact CA-O 3.24Å; T89-G112 WeakPolarHBondContact CG2-O 3.25Å; A90-G112 PolarHBondContact N-O 3.42Å
113R95.6Very high92.8Very high142 Ų14257.2 Ų57.254%0.53629%0.285SS..EExtended strand (participates in β ladder)trans-92133.6176.6-176.5178.3174.7170.90.5110.1R14 G15 I16 V115R14-R113 PolarHBondContact O-N 3.29Å; G15-R113 WeakPolarHBondContact CA-O 3.46Å; I16-R113 WeakPolarHBondContact CG1-O 3.37Å; I16-R113 PolarHBondContact N-O 2.6Å; R113-V115 PolarHBondContact O-N 2.65Å
114I96.1Very high93.1Very high13 Ų1357.4 Ų57.47%0.06729%0.293CS..EExtended strand (participates in β ladder)trans-71.8116.1174.9-64.775.7000108.1I16 L18 V83 M88 A90I16-I114 HydrophobicContact CD1-CD1 3.98Å; I16-I114 HydrophobicContact CD1-CG1 4.15Å; I16-I114 HydrophobicContact CG1-CD1 4.32Å; I16-I114 HydrophobicContact CG1-CG1 4.09Å; I16-I114 WeakPolarHBondContact O-CA 3.37Å; L18-I114 HydrophobicContact CB-CG1 4.18Å; L18-I114 HydrophobicContact CB-CG2 3.78Å; V83-I114 HydrophobicContact CG1-CG2 4.37Å; M88-I114 VanDerWaalsContact C-CD1 3.46Å; M88-I114 HydrophobicContact CB-CB 4.12Å; M88-I114 HydrophobicContact CB-CD1 3.75Å; M88-I114 HydrophobicContact CB-CG1 4.19Å; M88-I114 HydrophobicContact CE-CB 3.78Å; M88-I114 HydrophobicContact CE-CG2 3.51Å; M88-I114 WeakPolarHBondContact O-CD1 3.18Å; M88-I114 PolarHBondContact O-N 2.93Å; A90-I114 HydrophobicContact CB-CD1 4.38Å
115V94.9Very high93.4Very high70 Ų7055.6 Ų55.642%0.42429%0.287SS..EExtended strand (participates in β ladder)trans-102.6-19.1-179.5-65.40000112.9I16 V83 R113I16-V115 WeakPolarHBondContact O-CG2 3.46Å; I16-V115 PolarHBondContact O-N 3.25Å; V83-V115 VanDerWaalsContact CG2-O 3.31Å; V83-V115 WeakPolarHBondContact CG2-O 3.4Å; R113-V115 PolarHBondContact O-N 2.65Å
116Q93.9Very high93.8Very high50 Ų5055.4 Ų55.423%0.23429%0.291CS..EExtended strand (participates in β ladder)trans-147.3138.3179.5-164.769-7.600110.4W17 L18 T80W17-Q116 WeakPolarHBondContact CA-O 3.29Å; W17-Q116 HydrophobicContact CD2-CB 3.95Å; W17-Q116 HydrophobicContact CD2-CG 4.21Å; W17-Q116 HydrophobicContact CG-CB 3.97Å; W17-Q116 HydrophobicContact CH2-CG 4.48Å; W17-Q116 HydrophobicContact CZ2-CB 4.37Å; W17-Q116 HydrophobicContact CZ2-CG 4.16Å; L18-Q116 PolarHBondContact N-O 3.01Å; T80-Q116 VanDerWaalsContact CB-NE2 3.33Å; T80-Q116 HydrophobicContact CG2-CG 4.36Å
117K95.8Very high93.9Very high56 Ų5659.9 Ų59.924%0.24332%0.315CS..EExtended strand (participates in β ladder)trans-101.7147.1166.5-80.1179.1-167.9-176.30109.4L18 T80 S81 V83 M88L18-K117 HydrophobicContact CB-CG 4.36Å; L18-K117 HydrophobicContact CD2-CG 4.34Å; L18-K117 CarbonylContact O-C 3.5Å; L18-K117 WeakPolarHBondContact O-CA 3.43Å; T80-K117 CarbonylContact C-O 3.58Å; T80-K117 VanDerWaalsContact CA-O 3.3Å; T80-K117 WeakPolarHBondContact CA-O 3.41Å; S81-K117 PolarHBondContact N-O 3.17Å; S81-K117 PolarHBondContact O-N 2.83Å; S81-K117 WeakPolarHBondContact OG-CB 3.16Å; V83-K117 HydrophobicContact CG1-CB 4.05Å; V83-K117 HydrophobicContact CG1-CD 3.97Å; V83-K117 HydrophobicContact CG1-CG 3.57Å; M88-K117 HydrophobicContact CE-CD 4.16Å; M88-K117 HydrophobicContact CE-CG 4.17Å; M88-K117 WeakPolarHBondContact SD-CE 3.22Å
118A96.2Very high93.9Very high3 Ų355.5 Ų55.53%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-143.2149.6169.800000111.8L18 V19 K20 F78 V79 T80L18-A118 PolarHBondContact O-N 3.42Å; V19-A118 CarbonylContact C-O 3.58Å; V19-A118 WeakPolarHBondContact CA-O 3.28Å; V19-A118 HydrophobicContact CG1-CB 4.4Å; V19-A118 HydrophobicContact CG2-CB 4.27Å; K20-A118 PolarHBondContact N-O 3.24Å; F78-A118 HydrophobicContact CB-CB 4.2Å; V79-A118 CarbonylContact O-C 3.53Å; V79-A118 WeakPolarHBondContact O-CA 3.34Å; T80-A118 HydrophobicContact CG2-CB 4.22Å
119E97.3Very high93.9Very high62 Ų6257.6 Ų57.629%0.2930%0.304SS..EExtended strand (participates in β ladder)trans-107.8121.7166.5-61.5-164134.700109.3K20 F78 V79 R121K20-E119 HydrophobicContact CB-CG 4.43Å; K20-E119 HydrophobicContact CD-CG 4.26Å; K20-E119 WeakPolarHBondContact CD-OE1 3.48Å; K20-E119 IonicContact NZ-OE1 2.83Å; K20-E119 PolarHBondContact NZ-OE1 3.29Å; F78-E119 WeakPolarHBondContact CA-O 3.5Å; V79-E119 PolarHBondContact N-O 3.18Å; V79-E119 PolarHBondContact O-N 3.04Å; E119-R121 HydrophobicContact CB-CG 4.49Å; E119-R121 PolarHBondContact O-N 2.78Å; E119-R121 IonicContact OE2-CZ 3.17Å; E119-R121 IonicContact OE2-NE 2.9Å; E119-R121 PolarHBondContact OE2-NE 3.48Å; E119-R121 IonicContact OE2-NH2 3.53Å; E119-R121 PolarHBondContact OE2-NH2 3.25Å
120C97Very high93.8Very high9 Ų963.2 Ų63.26%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-75.7112.9171.5176.90000109V19 K20 V21 P22 H76 F78V19-C120 HydrophobicContact CG1-CB 4.13Å; K20-C120 VanDerWaalsContact O-CB 3.31Å; K20-C120 WeakPolarHBondContact O-CB 3.37Å; K20-C120 PolarHBondContact O-N 2.85Å; V21-C120 HydrophobicContact CG1-CB 4.11Å; P22-C120 WeakPolarHBondContact CD-O 3.49Å; H76-C120 WeakPolarHBondContact CB-SG 3.43Å; F78-C120 HydrophobicContact CD1-CB 3.81Å; F78-C120 HydrophobicContact CE1-CB 3.59Å
121R95.7Very high93.5Very high120 Ų12064.2 Ų64.245%0.45333%0.329SS..EExtended strand (participates in β ladder)trans-111.5130.5-178.2-64.7-161.6-179.9163.10.1111H76 Q77 V79 E119H76-R121 CarbonylContact C-O 3.58Å; H76-R121 VanDerWaalsContact CA-O 3.26Å; H76-R121 WeakPolarHBondContact CA-O 3.26Å; H76-R121 WeakPolarHBondContact CB-O 3.43Å; Q77-R121 PolarHBondContact N-O 2.79Å; Q77-R121 PolarHBondContact O-N 3.5Å; V79-R121 HydrophobicContact CG2-CG 4.03Å; E119-R121 HydrophobicContact CB-CG 4.49Å; E119-R121 PolarHBondContact O-N 2.78Å; E119-R121 IonicContact OE2-CZ 3.17Å; E119-R121 IonicContact OE2-NE 2.9Å; E119-R121 PolarHBondContact OE2-NE 3.48Å; E119-R121 IonicContact OE2-NH2 3.53Å; E119-R121 PolarHBondContact OE2-NH2 3.25Å
122P93.7Very high93.3Very high27 Ų2766.5 Ų66.518%0.17534%0.335CS..  trans-65.8158.8169.621.1-23.9000111.4Y24 P73 Y128Y24-P122 WeakPolarHBondContact OH-CB 3.47Å; P73-P122 HydrophobicContact CG-CB 4.27Å; P122-Y128 HydrophobicContact CB-CD1 4.04Å; P122-Y128 HydrophobicContact CB-CD2 3.68Å; P122-Y128 HydrophobicContact CB-CE1 4.01Å; P122-Y128 HydrophobicContact CB-CE2 3.68Å; P122-Y128 HydrophobicContact CB-CG 3.88Å; P122-Y128 HydrophobicContact CG-CD1 3.99Å; P122-Y128 HydrophobicContact CG-CD2 3.91Å; P122-Y128 HydrophobicContact CG-CE1 3.44Å; P122-Y128 VanDerWaalsContact CG-CE1 3.44Å; P122-Y128 HydrophobicContact CG-CE2 3.38Å; P122-Y128 HydrophobicContact CG-CG 4.2Å; P122-Y128 VanDerWaalsContact CG-OH 3.29Å; P122-Y128 WeakPolarHBondContact CG-OH 3.39Å
123P91.3Very high93.1Very high46 Ų4672.9 Ų72.930%0.29936%0.363SS..  trans-72.2151.5176.230.4-26.3000109.5P73 E75 S125P73-P123 HydrophobicContact CB-CG 3.63Å; P73-P123 HydrophobicContact CG-CG 4.17Å; E75-P123 WeakPolarHBondContact O-CD 3.33Å; E75-P123 WeakPolarHBondContact O-CG 3.46Å; P123-S125 PolarHBondContact O-N 3.33Å
124P88.6Confident93Very high130 Ų13069.2 Ų69.284%0.84436%0.356SS*.  trans-74.563.2176.233.7-36.3000110.7
125S89.7Confident92.7Very high38 Ų3873.6 Ų73.627%0.26638%0.376SS..  trans-99.5147.9-179.464.50000111.5P123 N127 Y128 M129P123-S125 PolarHBondContact O-N 3.33Å; S125-N127 PolarHBondContact O-N 3.17Å; S125-Y128 PolarHBondContact O-N 2.62Å; S125-Y128 VanDerWaalsContact OG-CB 3.25Å; S125-Y128 WeakPolarHBondContact OG-CB 3.49Å; S125-Y128 PolarHBondContact OG-N 3.33Å; S125-M129 WeakPolarHBondContact O-CG 3.18Å; S125-M129 PolarHBondContact O-N 3.48Å; S125-M129 VanDerWaalsContact O-N 3.11Å
126T91.1Very high92.6Very high118 Ų11874.5 Ų74.572%0.72438%0.377SS*.Hα-helixtrans-57.1-38.5174-51.40000111.5M129 K130T126-M129 PolarHBondContact O-N 3.46Å; T126-K130 WeakPolarHBondContact O-CB 3.11Å; T126-K130 PolarHBondContact O-N 3.36Å
127N88.3Confident92.6Very high99 Ų9976.4 Ų76.453%0.52939%0.386SS..Hα-helixtrans-63-46.8178.5-67.30.4000111.6S125 M129 K130 M131S125-N127 PolarHBondContact O-N 3.17Å; N127-M129 VanDerWaalsContact C-N 3.32Å; N127-M129 PolarHBondContact O-N 2.83Å; N127-K130 PolarHBondContact O-N 3.15Å; N127-M131 WeakPolarHBondContact O-CB 3.4Å; N127-M131 PolarHBondContact O-N 3.2Å
128Y91.4Very high92.4Very high32 Ų3278 Ų7813%0.12540%0.398CS..Hα-helixtrans-59.4-42.9175.3173.3-111.6000112.1Y24 P73 P122 S125 M131 K132Y24-Y128 AromaticContact CE1-CE2 3.83Å; Y24-Y128 HydrophobicContact CE1-CE2 3.83Å; P73-Y128 HydrophobicContact CG-CD2 3.97Å; P73-Y128 HydrophobicContact CG-CG 4.2Å; P122-Y128 HydrophobicContact CB-CD1 4.04Å; P122-Y128 HydrophobicContact CB-CD2 3.68Å; P122-Y128 HydrophobicContact CB-CE1 4.01Å; P122-Y128 HydrophobicContact CB-CE2 3.68Å; P122-Y128 HydrophobicContact CB-CG 3.88Å; P122-Y128 HydrophobicContact CG-CD1 3.99Å; P122-Y128 HydrophobicContact CG-CD2 3.91Å; P122-Y128 HydrophobicContact CG-CE1 3.44Å; P122-Y128 VanDerWaalsContact CG-CE1 3.44Å; P122-Y128 HydrophobicContact CG-CE2 3.38Å; P122-Y128 HydrophobicContact CG-CG 4.2Å; P122-Y128 VanDerWaalsContact CG-OH 3.29Å; P122-Y128 WeakPolarHBondContact CG-OH 3.39Å; S125-Y128 PolarHBondContact O-N 2.62Å; S125-Y128 VanDerWaalsContact OG-CB 3.25Å; S125-Y128 WeakPolarHBondContact OG-CB 3.49Å; S125-Y128 PolarHBondContact OG-N 3.33Å; Y128-M131 HydrophobicContact CD2-CE 3.48Å; Y128-M131 VanDerWaalsContact CD2-CE 3.48Å; Y128-M131 HydrophobicContact CE2-CE 3.56Å; Y128-M131 PolarHBondContact O-N 3.47Å; Y128-K132 HydrophobicContact CE1-CD 4.23Å; Y128-K132 VanDerWaalsContact O-CB 3.3Å; Y128-K132 WeakPolarHBondContact O-CB 3.48Å; Y128-K132 PolarHBondContact O-N 2.78Å
129M92Very high92.1Very high104 Ų10482.8 Ų82.851%0.51243%0.426SS..Hα-helixtrans-65.3-40.1178.9-65.6-59.5-175.400111.9S125 T126 N127 K132 K133S125-M129 WeakPolarHBondContact O-CG 3.18Å; S125-M129 PolarHBondContact O-N 3.48Å; S125-M129 VanDerWaalsContact O-N 3.11Å; T126-M129 PolarHBondContact O-N 3.46Å; N127-M129 VanDerWaalsContact C-N 3.32Å; N127-M129 PolarHBondContact O-N 2.83Å; M129-K132 PolarHBondContact O-N 3.44Å; M129-K133 WeakPolarHBondContact O-CB 3.3Å; M129-K133 PolarHBondContact O-N 3.3Å
130K92.5Very high91.9Very high151 Ų15184.1 Ų84.166%0.65744%0.443SS*.Hα-helixtrans-61.5-50.5173.8-173.1-178178-173.60111.1T126 N127 K132 K133 T134T126-K130 WeakPolarHBondContact O-CB 3.11Å; T126-K130 PolarHBondContact O-N 3.36Å; N127-K130 PolarHBondContact O-N 3.15Å; K130-K132 VanDerWaalsContact C-N 3.32Å; K130-K132 PolarHBondContact O-N 3.31Å; K130-K133 PolarHBondContact O-N 3.1Å; K130-T134 PolarHBondContact O-N 2.72Å; K130-T134 PolarHBondContact O-OG1 2.65Å
131M90.5Very high91.6Very high31 Ų3190 Ų9015%0.15347%0.467CS..Hα-helixtrans-55.7-46.3175.5-178.4-158.471.200111.3Y24 E71 I72 N127 Y128 K133 T134 H135Y24-M131 HydrophobicContact CD1-CE 3.78Å; Y24-M131 HydrophobicContact CE1-CE 3.87Å; Y24-M131 HydrophobicContact CG-CE 4.15Å; E71-M131 VanDerWaalsContact O-SD 3.36Å; I72-M131 HydrophobicContact CG1-SD 3.96Å; N127-M131 WeakPolarHBondContact O-CB 3.4Å; N127-M131 PolarHBondContact O-N 3.2Å; Y128-M131 HydrophobicContact CD2-CE 3.48Å; Y128-M131 VanDerWaalsContact CD2-CE 3.48Å; Y128-M131 HydrophobicContact CE2-CE 3.56Å; Y128-M131 PolarHBondContact O-N 3.47Å; M131-K133 PolarHBondContact O-N 3.33Å; M131-T134 PolarHBondContact O-N 3.33Å; M131-H135 WeakPolarHBondContact O-CB 3.47Å; M131-H135 PolarHBondContact O-N 3.22Å
132K91.5Very high91.3Very high96 Ų9688.1 Ų88.142%0.41747%0.471SS..Hα-helixtrans-64.5-40.3178.9-170.9178.6-178-174.20112.1Y128 M129 K130 H135 I136Y128-K132 HydrophobicContact CE1-CD 4.23Å; Y128-K132 VanDerWaalsContact O-CB 3.3Å; Y128-K132 WeakPolarHBondContact O-CB 3.48Å; Y128-K132 PolarHBondContact O-N 2.78Å; M129-K132 PolarHBondContact O-N 3.44Å; K130-K132 VanDerWaalsContact C-N 3.32Å; K130-K132 PolarHBondContact O-N 3.31Å; K132-H135 PolarHBondContact O-N 2.78Å; K132-I136 HydrophobicContact CG-CD1 4.1Å; K132-I136 VanDerWaalsContact O-CG1 3.3Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 3.41Å
133K92.6Very high91Very high134 Ų13496.2 Ų96.258%0.58351%0.506SS*.Hα-helixtrans-61.5-49.5175.7-176.1178.8175.5-177.40110.9M129 K130 M131 H135 I136 E137M129-K133 WeakPolarHBondContact O-CB 3.3Å; M129-K133 PolarHBondContact O-N 3.3Å; K130-K133 PolarHBondContact O-N 3.1Å; M131-K133 PolarHBondContact O-N 3.33Å; K133-H135 VanDerWaalsContact C-N 3.31Å; K133-H135 PolarHBondContact O-N 3.33Å; K133-I136 PolarHBondContact O-N 2.97Å; K133-E137 WeakPolarHBondContact CE-OE1 3.25Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.28Å
134T92.1Very high90.9Very high64 Ų64102.7 Ų102.739%0.39353%0.53SS..Hα-helixtrans-60.5-39.8176.4-58.10000112K130 M131 E137 N138K130-T134 PolarHBondContact O-N 2.72Å; K130-T134 PolarHBondContact O-OG1 2.65Å; M131-T134 PolarHBondContact O-N 3.33Å; T134-E137 PolarHBondContact O-N 3.41Å; T134-N138 WeakPolarHBondContact O-CB 3.3Å; T134-N138 VanDerWaalsContact O-CG 3.24Å; T134-N138 PolarHBondContact O-N 3.28Å; T134-N138 PolarHBondContact O-ND2 3.34Å
135H90.9Very high90.8Very high106 Ų106103.6 Ų103.649%0.49153%0.526SS..Hα-helixtrans-62-46175.1-179.771.4000112.2M131 K132 K133 N138 V139M131-H135 WeakPolarHBondContact O-CB 3.47Å; M131-H135 PolarHBondContact O-N 3.22Å; K132-H135 PolarHBondContact O-N 2.78Å; K133-H135 VanDerWaalsContact C-N 3.31Å; K133-H135 PolarHBondContact O-N 3.33Å; H135-N138 PolarHBondContact O-N 2.98Å; H135-V139 WeakPolarHBondContact O-CG2 3.3Å; H135-V139 PolarHBondContact O-N 3.24Å
136I93.2Very high90.7Very high88 Ų88109.3 Ų109.345%0.45155%0.552SS.*Hα-helixtrans-62-48.4176.7-68.2164.5000110.1K132 K133 N138 V139 S140K132-I136 HydrophobicContact CG-CD1 4.1Å; K132-I136 VanDerWaalsContact O-CG1 3.3Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 3.41Å; K133-I136 PolarHBondContact O-N 2.97Å; I136-N138 PolarHBondContact O-N 3.27Å; I136-V139 PolarHBondContact O-N 2.84Å; I136-S140 WeakPolarHBondContact O-CB 3.46Å; I136-S140 PolarHBondContact O-N 3.16Å; I136-S140 PolarHBondContact O-OG 3.03Å
137E93.9Very high90.4Very high90 Ų90113.1 Ų113.142%0.42156%0.559SS.*Hα-helixtrans-56.6-37.3177.3-73.8171.5-178.800112.6K133 T134 K141K133-E137 WeakPolarHBondContact CE-OE1 3.25Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.28Å; T134-E137 PolarHBondContact O-N 3.41Å; E137-K141 WeakPolarHBondContact O-CD 3.28Å; E137-K141 VanDerWaalsContact O-CE 3.32Å; E137-K141 WeakPolarHBondContact O-CE 3.2Å; E137-K141 VanDerWaalsContact O-CG 3.24Å; E137-K141 WeakPolarHBondContact O-CG 3.23Å
138N90.5Very high90.2Very high90 Ų90114.3 Ų114.348%0.48157%0.57SS.*Hα-helixtrans-75.7-40.8179.5-72.1-20.3000112.9T134 H135 I136 K141T134-N138 WeakPolarHBondContact O-CB 3.3Å; T134-N138 VanDerWaalsContact O-CG 3.24Å; T134-N138 PolarHBondContact O-N 3.28Å; T134-N138 PolarHBondContact O-ND2 3.34Å; H135-N138 PolarHBondContact O-N 2.98Å; I136-N138 PolarHBondContact O-N 3.27Å; N138-K141 PolarHBondContact OD1-NZ 2.9Å; N138-K141 VanDerWaalsContact OD1-NZ 3.1Å
139V90.8Very high89.8Confident104 Ų104120.1 Ų120.163%0.6360%0.6SS**Hα-helixtrans-77.9-25.8179.71770000112.1H135 I136H135-V139 WeakPolarHBondContact O-CG2 3.3Å; H135-V139 PolarHBondContact O-N 3.24Å; I136-V139 PolarHBondContact O-N 2.84Å
140S92.8Very high89.4Confident90 Ų90125 Ų12563%0.62962%0.622SS**SBendtrans-81.6-11.4177.9-64.80000114I136I136-S140 WeakPolarHBondContact O-CB 3.46Å; I136-S140 PolarHBondContact O-N 3.16Å; I136-S140 PolarHBondContact O-OG 3.03Å
141K89.8Confident89Confident131 Ų131127.5 Ų127.557%0.5763%0.627SS**SBendtrans-69.7123.7173.9-77.4160.2-169168.80109.1E137 N138E137-K141 WeakPolarHBondContact O-CD 3.28Å; E137-K141 VanDerWaalsContact O-CE 3.32Å; E137-K141 WeakPolarHBondContact O-CE 3.2Å; E137-K141 VanDerWaalsContact O-CG 3.24Å; E137-K141 WeakPolarHBondContact O-CG 3.23Å; N138-K141 PolarHBondContact OD1-NZ 2.9Å; N138-K141 VanDerWaalsContact OD1-NZ 3.1Å
142P90.1Very high88.4Confident82 Ų82129.7 Ų129.753%0.53265%0.65SS.*  trans-67.2139.9176.829-34.6000110.2K144 L145P142-K144 PolarHBondContact O-N 2.7Å; P142-L145 HydrophobicContact CG-CD2 3.82Å
143E88.1Confident87.8Confident196 Ų196131.4 Ų131.492%0.91666%0.66SS**SBendtrans-64-28.4177.5-65.7-176.2167.300112.7
144K89.3Confident87.1Confident183 Ų183131.1 Ų131.180%0.79667%0.669SS**SBendtrans-121.2116.2-179.1-64.3-179.8-176.8175.80109.3P142P142-K144 PolarHBondContact O-N 2.7Å
145L85.6Confident86.5Confident148 Ų148136 Ų13678%0.77569%0.685SS**  trans-94.2123.1173.9-69.9162.4000108.8P142 K147P142-L145 HydrophobicContact CG-CD2 3.82Å; L145-K147 PolarHBondContact O-N 3.1Å
146I87.3Confident86.1Confident159 Ų159138.7 Ų138.782%0.81570%0.695SS**  trans-71.1111.9169.3-60.2172.8000106.8T148I146-T148 PolarHBondContact O-N 3.45Å
147K84.7Confident85.3Confident197 Ų197143.6 Ų143.686%0.85771%0.713SS**  trans-86.4106.5170.2-165.7172.5-176.1178.40107.8L145 M149L145-K147 PolarHBondContact O-N 3.1Å; K147-M149 PolarHBondContact O-N 2.99Å
148T85.4Confident84.2Confident124 Ų124144.1 Ų144.176%0.76172%0.724SS**  trans-65.9131.817347.30000109I146I146-T148 PolarHBondContact O-N 3.45Å
149M81.9Confident83.1Confident154 Ų154143.6 Ų143.676%0.75973%0.728SS**  trans-87.6133.7170.1-60.3-170.5-6100107.9K147 R151K147-M149 PolarHBondContact O-N 2.99Å; M149-R151 PolarHBondContact O-N 2.96Å
150E84.3Confident81.9Confident208 Ų208145.9 Ų145.997%0.97274%0.737SS**SBendtrans-60.4-30.2178.5-67.7-176.8173.100112.3
151R83.4Confident80.4Confident202 Ų202149.7 Ų149.776%0.76274%0.744SS**SBendtrans-137.3129.7-178.6-170.5173.9-179.9162.20.1110.8M149 E153M149-R151 PolarHBondContact O-N 2.96Å; R151-E153 PolarHBondContact O-N 2.98Å
152A79.2Confident78.8Confident78 Ų78147 Ų14765%0.64575%0.754SS**  trans-76.2111.8167.500000109.3V154A152-V154 PolarHBondContact O-N 2.84Å
153E78Confident77.4Confident131 Ų131147.8 Ų147.861%0.61276%0.757SS**  trans-84.590.1171-68.9-168.7175.200110.3R151 K155R151-E153 PolarHBondContact O-N 2.98Å; E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 3.31Å; E153-K155 WeakPolarHBondContact OE2-CE 3.12Å; E153-K155 IonicContact OE2-NZ 2.74Å; E153-K155 PolarHBondContact OE2-NZ 3.04Å
154V78.3Confident76.1Confident129 Ų129145.4 Ų145.478%0.78275%0.749SS**  trans-79.287.8172.7-174.30000108.5A152 F156A152-V154 PolarHBondContact O-N 2.84Å; V154-F156 VanDerWaalsContact C-N 3.35Å
155K80Confident74.6Confident167 Ų167141.1 Ų141.173%0.72674%0.738SS**  trans-86.1-4.1176.4-77.6170.4170.3158.40113.6E153 K157E153-K155 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 3.31Å; E153-K155 WeakPolarHBondContact OE2-CE 3.12Å; E153-K155 IonicContact OE2-NZ 2.74Å; E153-K155 PolarHBondContact OE2-NZ 3.04Å; K155-K157 PolarHBondContact O-N 3.3Å
156F80.7Confident73.2Confident161 Ų161142.2 Ų142.271%0.70674%0.739SS**  trans-76.1112.4-177-174-104.3000111.3V154 P158V154-F156 VanDerWaalsContact C-N 3.35Å; F156-P158 HydrophobicContact CE1-CB 3.69Å; F156-P158 HydrophobicContact CE1-CG 4.15Å; F156-P158 HydrophobicContact CZ-CB 4.09Å
157K77.8Confident71.7Confident191 Ų191146 Ų14683%0.8374%0.744SS**  trans-106.1110.6164.7-68.2-177.3179.4-179.60107.7K155 S159K155-K157 PolarHBondContact O-N 3.3Å; K157-S159 PolarHBondContact O-N 2.98Å
158P71.2Confident70.3Confident101 Ų101141.3 Ų141.366%0.65673%0.731SS**  trans-63.8112.8176.223-29.1000109.4F156F156-P158 HydrophobicContact CE1-CB 3.69Å; F156-P158 HydrophobicContact CE1-CG 4.15Å; F156-P158 HydrophobicContact CZ-CB 4.09Å
159S66.5Low68.8Low80 Ų80144.8 Ų144.856%0.55974%0.736SS**  trans-80.6145.3160-176.40000107.8K157 Q161K157-S159 PolarHBondContact O-N 2.98Å; S159-Q161 PolarHBondContact O-N 2.82Å
160N66.5Low67.3Low151 Ų151148.8 Ų148.881%0.80774%0.742SS**THydrogen-bonded Turntrans-61.422179.4-88.7-7.4000114.9
161Q59.6Low65.9Low170 Ų170144.7 Ų144.779%0.79473%0.732SS**THydrogen-bonded Turntrans-89.8-8.4-179.1-65.8-179.74.900113.4S159S159-Q161 PolarHBondContact O-N 2.82Å
162G57.9Low64.7Low74 Ų74142.6 Ų142.676%0.76373%0.73SS**SBendtrans-93.7-8.5-177.300000115.8
163T60.1Low63.7Low99 Ų99148.1 Ų148.161%0.60774%0.74SS**SBendtrans-79.4121.5167.933.70000108.2V165T163-V165 VanDerWaalsContact O-CG2 3.22Å; T163-V165 WeakPolarHBondContact O-CG2 3.36Å; T163-V165 PolarHBondContact O-N 3.26Å
164I60.2Low63Low147 Ų147144.7 Ų144.775%0.75473%0.726SS**  trans-47.6101.8176.3-64.1166.8000109.1E166I164-E166 HydrophobicContact CG2-CB 4.23Å; I164-E166 HydrophobicContact CG2-CG 3.78Å; I164-E166 PolarHBondContact O-N 3.22Å
165V58.1Low62.8Low92 Ų92145.6 Ų145.656%0.55873%0.725SS**  trans-79.768178.9-170.80000108.5T163 T168T163-V165 VanDerWaalsContact O-CG2 3.22Å; T163-V165 WeakPolarHBondContact O-CG2 3.36Å; T163-V165 PolarHBondContact O-N 3.26Å; V165-T168 HydrophobicContact CG1-CG2 4.5Å; V165-T168 WeakPolarHBondContact CG1-OG1 3.49Å
166E56.4Low62.9Low171 Ų171146.2 Ų146.280%0.79972%0.723SS**  trans-88.8-6.5169.2-86.1-174.4166.200112.6I164I164-E166 HydrophobicContact CG2-CB 4.23Å; I164-E166 HydrophobicContact CG2-CG 3.78Å; I164-E166 PolarHBondContact O-N 3.22Å
167R56Low63Low240 Ų240141.6 Ų141.691%0.90671%0.705SS**SBendtrans-91.3-6.4-170.7-81.7-176.8163.7172-3.8117
168T55.5Low63.5Low98 Ų98137.9 Ų137.960%0.60169%0.694SS**SBendtrans-117.4-7.1-169.653.40000116.9V165 R170V165-T168 HydrophobicContact CG1-CG2 4.5Å; V165-T168 WeakPolarHBondContact CG1-OG1 3.49Å; T168-R170 PolarHBondContact O-N 3.41Å
169K53.2Low64.4Low196 Ų196138.8 Ų138.885%0.85268%0.684SS**THydrogen-bonded Turntrans-85.61.8-174.3-78-172.5178.6179.40116.7
170R50.8Low65.6Low238 Ų238140.1 Ų140.190%0.89869%0.685SS**THydrogen-bonded Turntrans-132.438.7-175.6-65.8-170.9-178.6-176.41.4114.7T168 E172T168-R170 PolarHBondContact O-N 3.41Å; R170-E172 VanDerWaalsContact C-N 3.29Å; R170-E172 PolarHBondContact O-N 3.5Å
171V54.6Low66.7Low123 Ų123136.7 Ų136.775%0.74567%0.667SS**  trans-95.570.7164.4-169.70000107.4K173V171-K173 PolarHBondContact O-N 2.98Å
172E57.3Low68.2Low158 Ų158128.6 Ų128.674%0.73863%0.629SS**  trans-61.1123.6163.6-78.1176.8173.400106.7R170 N174R170-E172 VanDerWaalsContact C-N 3.29Å; R170-E172 PolarHBondContact O-N 3.5Å; E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 3.19Å; E172-N174 PolarHBondContact O-OD1 2.89Å
173K59.7Low69.8Low194 Ų194128.9 Ų128.984%0.84361%0.607SS**  trans-69.592-180-67.3176.2-178.5175.70107.3V171 I175V171-K173 PolarHBondContact O-N 2.98Å; K173-I175 PolarHBondContact O-N 2.91Å
174N62.4Low71.2Confident59 Ų59128.5 Ų128.532%0.31660%0.601SS.*  trans-53.8101.1176.7-74.9-4.3000110.5E172 Q206E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 3.19Å; E172-N174 PolarHBondContact O-OD1 2.89Å; N174-Q206 WeakPolarHBondContact CB-O 3.41Å; N174-Q206 WeakPolarHBondContact ND2-CA 3.43Å; N174-Q206 PolarHBondContact ND2-O 3.3Å; N174-Q206 PolarHBondContact ND2-OE1 3.16Å; N174-Q206 VanDerWaalsContact ND2-OE1 3.1Å
175I73.5Confident72.7Confident148 Ų148124.2 Ų124.276%0.75958%0.579SS**PPolyproline II helixtrans-65.9136.6172.1-61.5172.4000107.1K173 L177 Q207K173-I175 PolarHBondContact O-N 2.91Å; I175-L177 PolarHBondContact O-N 3.41Å; I175-L177 VanDerWaalsContact O-N 3.15Å; I175-Q207 PolarHBondContact O-NE2 2.9Å
176R82.5Confident74.3Confident180 Ų180119.8 Ų119.868%0.67955%0.553SS**PPolyproline II helixtrans-62.2118.6175.4-66-177-174.7-174.50.6108.6Q207 Y211R176-Q207 VanDerWaalsContact CA-OE1 3.28Å; R176-Y211 HydrophobicContact CB-CE1 4.42Å
177L82.6Confident76Confident63 Ų63114 Ų11433%0.3353%0.525SS..PPolyproline II helixtrans-63.7155.2170.4-82.7155.2000109.4I175 D181 L182 L185 Q207 Y211I175-L177 PolarHBondContact O-N 3.41Å; I175-L177 VanDerWaalsContact O-N 3.15Å; L177-D181 HydrophobicContact CD2-CB 4.21Å; L177-L182 HydrophobicContact CB-CB 4.28Å; L177-L185 HydrophobicContact CD1-CD2 4.38Å; L177-Q207 HydrophobicContact CD1-CG 3.98Å; L177-Q207 VanDerWaalsContact CD1-NE2 3.32Å; L177-Y211 WeakPolarHBondContact O-CE1 3.39Å; L177-Y211 PolarHBondContact O-OH 3.38Å; L177-Y211 VanDerWaalsContact O-OH 3.11Å
178N89.7Confident77.6Confident113 Ų113108 Ų10860%0.60451%0.507SS*.PPolyproline II helixtrans-61.1151167.5-66.4-49.9000109.5D180 D181 L182N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 3.44Å; N178-D181 HydrophobicContact CB-CB 4.42Å; N178-D181 WeakPolarHBondContact CB-OD2 3.21Å; N178-D181 PolarHBondContact ND2-OD2 3.15Å; N178-D181 PolarHBondContact O-N 3.37Å; N178-L182 PolarHBondContact O-N 2.96Å
179R89.6Confident79.3Confident120 Ų120103.6 Ų103.645%0.45348%0.481SS..Hα-helixtrans-60.2-37.7-175.5-176.7168.5160104.1-9.4112.6R183 Y211 V215 D218R179-R183 WeakPolarHBondContact O-CB 3.35Å; R179-R183 PolarHBondContact O-N 2.72Å; R179-Y211 WeakPolarHBondContact CA-OH 3.49Å; R179-Y211 PolarHBondContact N-OH 2.9Å; R179-V215 HydrophobicContact CG-CG2 4.2Å; R179-D218 IonicContact CZ-OD2 3Å; R179-D218 IonicContact NH1-OD2 3.39Å; R179-D218 PolarHBondContact NH1-OD2 2.87Å; R179-D218 IonicContact NH2-OD1 3.56Å; R179-D218 IonicContact NH2-OD2 2.6Å; R179-D218 PolarHBondContact NH2-OD2 3.2Å
180D90.4Very high81.1Confident109 Ų10994.3 Ų94.358%0.58344%0.44SS*.Hα-helixtrans-72.1-40.6178.1-60.5-47.3000112.3N178 R183 N184N178-D180 VanDerWaalsContact C-N 3.28Å; N178-D180 PolarHBondContact O-N 3.44Å; D180-R183 WeakPolarHBondContact O-CB 3.45Å; D180-R183 PolarHBondContact O-N 2.97Å; D180-N184 PolarHBondContact O-N 3.39Å; D180-N184 PolarHBondContact O-ND2 3.33Å
181D90.4Very high82.9Confident79 Ų7990.6 Ų90.642%0.42243%0.433SS..Hα-helixtrans-63.7-43.5176.1-63.8-31.9000111.2L177 N178 R183 N184 L185L177-D181 HydrophobicContact CD2-CB 4.21Å; N178-D181 HydrophobicContact CB-CB 4.42Å; N178-D181 WeakPolarHBondContact CB-OD2 3.21Å; N178-D181 PolarHBondContact ND2-OD2 3.15Å; N178-D181 PolarHBondContact O-N 3.37Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 2.99Å; D181-N184 PolarHBondContact O-N 3.07Å; D181-L185 PolarHBondContact O-N 3.09Å
182L91.5Very high84.5Confident0 Ų092.5 Ų92.50%043%0.432CS..Hα-helixtrans-63.8-40175.5-179.454.5000111.6L177 N178 L185 L186 T205 Q207 Y211 L212 V215L177-L182 HydrophobicContact CB-CB 4.28Å; N178-L182 PolarHBondContact O-N 2.96Å; L182-L185 PolarHBondContact O-N 3.3Å; L182-L186 HydrophobicContact CD1-CD1 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.27Å; L182-L186 HydrophobicContact CG-CD1 4.17Å; L182-L186 HydrophobicContact CG-CG 4.49Å; L182-L186 WeakPolarHBondContact O-CB 3.29Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 3.21Å; L182-T205 HydrophobicContact CD1-CG2 3.78Å; L182-Q207 HydrophobicContact CD1-CG 3.8Å; L182-Q207 HydrophobicContact CD2-CG 4.18Å; L182-Y211 HydrophobicContact CD2-CD1 3.72Å; L182-Y211 HydrophobicContact CD2-CE1 3.49Å; L182-Y211 VanDerWaalsContact CD2-CE1 3.49Å; L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD2-CD1 4.26Å; L182-L212 HydrophobicContact CG-CD1 4.48Å; L182-V215 HydrophobicContact CD2-CB 4.23Å; L182-V215 HydrophobicContact CD2-CG2 3.88Å; L182-V215 HydrophobicContact CG-CG1 4.44Å
183R90.9Very high86Confident80 Ų8090.6 Ų90.630%0.30242%0.422SS..Hα-helixtrans-60.9-45.6176.1178.5178.2-176.9-178.22.4111.7R179 D180 D181 L185 L186 F187 I219 Y238R179-R183 WeakPolarHBondContact O-CB 3.35Å; R179-R183 PolarHBondContact O-N 2.72Å; D180-R183 WeakPolarHBondContact O-CB 3.45Å; D180-R183 PolarHBondContact O-N 2.97Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 2.99Å; R183-L185 VanDerWaalsContact C-N 3.34Å; R183-L185 PolarHBondContact O-N 2.88Å; R183-L186 PolarHBondContact O-N 3.24Å; R183-F187 HydrophobicContact CG-CD2 3.92Å; R183-F187 HydrophobicContact CG-CE2 3.43Å; R183-F187 VanDerWaalsContact CG-CE2 3.43Å; R183-F187 HydrophobicContact CG-CZ 4.05Å; R183-F187 VanDerWaalsContact NE-CE2 3.28Å; R183-F187 VanDerWaalsContact O-CD2 3.29Å; R183-F187 WeakPolarHBondContact O-CD2 3.31Å; R183-F187 PolarHBondContact O-N 2.84Å; R183-I219 HydrophobicContact CG-CD1 4.31Å; R183-I219 HydrophobicContact CG-CG2 4.23Å; R183-Y238 VanDerWaalsContact NH2-CZ 3.3Å; R183-Y238 PolarHBondContact NH2-OH 3.43Å
184N90.5Very high87.4Confident91 Ų9184.4 Ų84.449%0.48740%0.397SS..Hα-helixtrans-61.8-42.5176.6-71.7-24.8000111.8D180 D181 L186 F187 Q188D180-N184 PolarHBondContact O-N 3.39Å; D180-N184 PolarHBondContact O-ND2 3.33Å; D181-N184 PolarHBondContact O-N 3.07Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.4Å; N184-F187 PolarHBondContact O-N 3.05Å; N184-Q188 WeakPolarHBondContact O-CG 3.49Å; N184-Q188 PolarHBondContact O-N 3.45Å
185L91.1Very high88.8Confident56 Ų5685 Ų8529%0.29340%0.395SS..Hα-helixtrans-65.8-36.8177.6-162.668.7000112.3L177 D181 L182 R183 Q188 A189 T205L177-L185 HydrophobicContact CD1-CD2 4.38Å; D181-L185 PolarHBondContact O-N 3.09Å; L182-L185 PolarHBondContact O-N 3.3Å; R183-L185 VanDerWaalsContact C-N 3.34Å; R183-L185 PolarHBondContact O-N 2.88Å; L185-Q188 PolarHBondContact O-N 3.16Å; L185-A189 PolarHBondContact O-N 3.03Å; L185-T205 HydrophobicContact CD2-CG2 3.9Å; L185-T205 HydrophobicContact CG-CG2 4.36Å
186L92.1Very high89.8Confident0 Ų079.1 Ų79.10%036%0.363CS..Hα-helixtrans-64.9-43.8173.7-76.8172.6000111.6L182 R183 N184 Q188 A189 F190 L201 T205 L212 V215 L216 I219L182-L186 HydrophobicContact CD1-CD1 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.27Å; L182-L186 HydrophobicContact CG-CD1 4.17Å; L182-L186 HydrophobicContact CG-CG 4.49Å; L182-L186 WeakPolarHBondContact O-CB 3.29Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.37Å; L182-L186 PolarHBondContact O-N 3.21Å; R183-L186 PolarHBondContact O-N 3.24Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.4Å; L186-Q188 PolarHBondContact O-N 2.78Å; L186-A189 WeakPolarHBondContact O-CB 3.21Å; L186-A189 PolarHBondContact O-N 3.41Å; L186-A189 VanDerWaalsContact O-N 3.15Å; L186-F190 WeakPolarHBondContact O-CD2 3.41Å; L186-F190 PolarHBondContact O-N 3.23Å; L186-L201 HydrophobicContact CD2-CD1 4.2Å; L186-L201 HydrophobicContact CD2-CD2 3.95Å; L186-L201 HydrophobicContact CD2-CG 4.48Å; L186-T205 HydrophobicContact CD2-CG2 4.19Å; L186-L212 HydrophobicContact CD1-CD1 4.2Å; L186-L212 HydrophobicContact CD2-CD1 3.92Å; L186-L212 HydrophobicContact CG-CD1 4.41Å; L186-V215 HydrophobicContact CD1-CB 4.46Å; L186-V215 HydrophobicContact CD1-CG1 3.85Å; L186-L216 HydrophobicContact CD1-CD2 4.13Å; L186-L216 HydrophobicContact CD1-CG 4.35Å; L186-L216 HydrophobicContact CD2-CD2 4.19Å; L186-I219 HydrophobicContact CB-CD1 3.92Å; L186-I219 HydrophobicContact CD1-CD1 3.76Å; L186-I219 HydrophobicContact CG-CD1 4.49Å
187F90.9Very high90.3Very high50 Ų5077.1 Ų77.122%0.21936%0.356CS..Hα-helixtrans-60.7-43.8175.6-71.8-46.8000112.3R183 N184 A189 F190 E191 I219 L234 Y238R183-F187 HydrophobicContact CG-CD2 3.92Å; R183-F187 HydrophobicContact CG-CE2 3.43Å; R183-F187 VanDerWaalsContact CG-CE2 3.43Å; R183-F187 HydrophobicContact CG-CZ 4.05Å; R183-F187 VanDerWaalsContact NE-CE2 3.28Å; R183-F187 VanDerWaalsContact O-CD2 3.29Å; R183-F187 WeakPolarHBondContact O-CD2 3.31Å; R183-F187 PolarHBondContact O-N 2.84Å; N184-F187 PolarHBondContact O-N 3.05Å; F187-A189 VanDerWaalsContact C-N 3.27Å; F187-A189 PolarHBondContact O-N 3.04Å; F187-F190 PolarHBondContact O-N 3.42Å; F187-E191 PolarHBondContact O-N 2.91Å; F187-I219 HydrophobicContact CE1-CD1 4.48Å; F187-I219 HydrophobicContact CZ-CG2 4.37Å; F187-L234 HydrophobicContact CD1-CD1 3.84Å; F187-L234 HydrophobicContact CD1-CD2 3.83Å; F187-L234 HydrophobicContact CE1-CD1 4.2Å; F187-L234 HydrophobicContact CE1-CD2 3.7Å; F187-Y238 HydrophobicContact CE1-CD1 4.21Å; F187-Y238 HydrophobicContact CE1-CG 4.02Å; F187-Y238 AromaticContact CZ-CD1 3.81Å; F187-Y238 HydrophobicContact CZ-CD1 3.81Å; F187-Y238 HydrophobicContact CZ-CE1 4.4Å; F187-Y238 HydrophobicContact CZ-CG 4.03Å
188Q89.9Confident90.7Very high112 Ų11275.7 Ų75.752%0.52335%0.348SS..Hα-helixtrans-62.1-33.2174.4-69.9175.212.900113N184 L185 L186N184-Q188 WeakPolarHBondContact O-CG 3.49Å; N184-Q188 PolarHBondContact O-N 3.45Å; L185-Q188 PolarHBondContact O-N 3.16Å; L186-Q188 PolarHBondContact O-N 2.78Å
189A92Very high90.8Very high6 Ų674.6 Ų74.65%0.0535%0.345CS..Hα-helixtrans-67.3-51.4173.700000110.2L185 L186 F187 E191 K192 H193 Y196 L201L185-A189 PolarHBondContact O-N 3.03Å; L186-A189 WeakPolarHBondContact O-CB 3.21Å; L186-A189 PolarHBondContact O-N 3.41Å; L186-A189 VanDerWaalsContact O-N 3.15Å; F187-A189 VanDerWaalsContact C-N 3.27Å; F187-A189 PolarHBondContact O-N 3.04Å; A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 PolarHBondContact O-N 2.96Å; A189-K192 WeakPolarHBondContact O-CB 3.3Å; A189-K192 PolarHBondContact O-N 3.4Å; A189-H193 PolarHBondContact O-N 3.11Å; A189-Y196 HydrophobicContact CB-CE2 4.15Å; A189-Y196 WeakPolarHBondContact O-CE2 2.91Å; A189-Y196 PolarHBondContact O-OH 3.38Å; A189-L201 HydrophobicContact CB-CD2 4.19Å
190F91.8Very high90.9Very high1 Ų170.8 Ų70.80%0.00433%0.334CS..Hα-helixtrans-64.7-25.4-179.1-77.9-65.1000114.4L186 F187 K192 H193 Y196 L201 L216 W232 L234L186-F190 WeakPolarHBondContact O-CD2 3.41Å; L186-F190 PolarHBondContact O-N 3.23Å; F187-F190 PolarHBondContact O-N 3.42Å; F190-K192 PolarHBondContact O-N 3.28Å; F190-H193 WeakPolarHBondContact CA-O 3.45Å; F190-H193 CarbonylContact O-C 3.43Å; F190-H193 VanDerWaalsContact O-O 3.1Å; F190-Y196 AromaticContact CD1-CD2 3.88Å; F190-Y196 HydrophobicContact CD1-CD2 3.88Å; F190-Y196 AromaticContact CE1-CD2 3.92Å; F190-Y196 HydrophobicContact CE1-CD2 3.92Å; F190-L201 HydrophobicContact CZ-CD1 4.25Å; F190-L216 HydrophobicContact CE2-CD2 3.96Å; F190-L216 HydrophobicContact CZ-CD2 4.13Å; F190-W232 WeakPolarHBondContact CE1-O 3.31Å; F190-W232 HydrophobicContact CZ-CB 4.11Å; F190-L234 HydrophobicContact CB-CD1 3.51Å; F190-L234 HydrophobicContact CB-CD2 4.49Å; F190-L234 HydrophobicContact CB-CG 3.78Å; F190-L234 HydrophobicContact CD1-CG 4.21Å; F190-L234 HydrophobicContact CD2-CD1 4.18Å; F190-L234 HydrophobicContact CD2-CD2 3.55Å; F190-L234 HydrophobicContact CD2-CG 3.65Å; F190-L234 HydrophobicContact CE2-CD2 3.96Å; F190-L234 HydrophobicContact CE2-CG 4.29Å; F190-L234 HydrophobicContact CG-CD1 3.96Å; F190-L234 HydrophobicContact CG-CD2 4.09Å; F190-L234 HydrophobicContact CG-CG 3.62Å
191E87Confident91Very high160 Ų16065.6 Ų65.675%0.74831%0.306SS*.Hα-helixtrans-62.7-30.7170-170.1175.5-169.800112.1F187 A189F187-E191 PolarHBondContact O-N 2.91Å; A189-E191 VanDerWaalsContact C-N 3.26Å; A189-E191 PolarHBondContact O-N 2.96Å
192K89Confident91.1Very high164 Ų16462.6 Ų62.671%0.71329%0.293SS*.Hα-helixtrans-81.4-40177.6-63.7179-178.5177.80113A189 F190A189-K192 WeakPolarHBondContact O-CB 3.3Å; A189-K192 PolarHBondContact O-N 3.4Å; F190-K192 PolarHBondContact O-N 3.28Å
193H89.2Confident91Very high117 Ų11769 Ų6954%0.54232%0.321SS..  trans-142.8132.1178.6-61.568.2000110.3A189 F190 Y195 Y196A189-H193 PolarHBondContact O-N 3.11Å; F190-H193 WeakPolarHBondContact CA-O 3.45Å; F190-H193 CarbonylContact O-C 3.43Å; F190-H193 VanDerWaalsContact O-O 3.1Å; H193-Y195 VanDerWaalsContact C-N 3.26Å; H193-Y195 PolarHBondContact O-N 3.2Å; H193-Y196 HydrophobicContact CB-CD2 4.32Å; H193-Y196 HydrophobicContact CB-CE2 3.62Å; H193-Y196 AromaticContact ND1-CZ 3.97Å; H193-Y196 PolarHBondContact ND1-OH 3.25Å; H193-Y196 WeakPolarHBondContact O-CD2 3.26Å; H193-Y196 WeakPolarHBondContact O-CE2 3.49Å
194Q88.9Confident90.9Very high65 Ų6569.2 Ų69.230%0.30433%0.327SS..SBendtrans-64.1-29.8-178.1178.2173.1-1.600113.9E233 Y241Q194-E233 WeakPolarHBondContact O-CB 3.4Å; Q194-Y241 WeakPolarHBondContact CA-OH 3.3Å; Q194-Y241 HydrophobicContact CB-CE1 4.17Å; Q194-Y241 HydrophobicContact CG-CE1 4.43Å; Q194-Y241 HydrophobicContact CG-CE2 3.9Å
195Y92Very high90.9Very high70 Ų7065.1 Ų65.128%0.27531%0.305SS..  trans-125.4126.9-174.2-50.9-80.6000110.8H193 H228 E233H193-Y195 VanDerWaalsContact C-N 3.26Å; H193-Y195 PolarHBondContact O-N 3.2Å; Y195-H228 HydrophobicContact CD1-CB 3.73Å; Y195-H228 AromaticContact CD1-CD2 3.84Å; Y195-H228 AromaticContact CD1-CG 3.67Å; Y195-H228 AromaticContact CD2-CD2 3.81Å; Y195-H228 AromaticContact CD2-CE1 3.59Å; Y195-H228 AromaticContact CD2-CG 3.83Å; Y195-H228 AromaticContact CD2-ND1 3.69Å; Y195-H228 AromaticContact CD2-NE2 3.69Å; Y195-H228 HydrophobicContact CE1-CB 4.03Å; Y195-H228 AromaticContact CE1-CD2 3.44Å; Y195-H228 VanDerWaalsContact CE1-CD2 3.44Å; Y195-H228 WeakPolarHBondContact CE1-CD2 3.46Å; Y195-H228 AromaticContact CE1-CG 3.76Å; Y195-H228 AromaticContact CE2-CD2 3.44Å; Y195-H228 VanDerWaalsContact CE2-CD2 3.44Å; Y195-H228 WeakPolarHBondContact CE2-CD2 3.43Å; Y195-H228 AromaticContact CE2-CE1 3.64Å; Y195-H228 AromaticContact CE2-CG 3.95Å; Y195-H228 AromaticContact CE2-NE2 3.25Å; Y195-H228 VanDerWaalsContact CE2-NE2 3.25Å; Y195-H228 WeakPolarHBondContact CE2-NE2 3.32Å; Y195-H228 HydrophobicContact CG-CB 4.08Å; Y195-H228 AromaticContact CG-CG 3.69Å; Y195-H228 AromaticContact CG-ND1 3.81Å; Y195-H228 AromaticContact CZ-CD2 3.23Å; Y195-H228 AromaticContact CZ-CG 3.92Å; Y195-H228 AromaticContact CZ-NE2 3.52Å; Y195-E233 HydrophobicContact CD1-CB 4.03Å; Y195-E233 HydrophobicContact CE1-CB 4.27Å; Y195-E233 WeakPolarHBondContact CE1-OE2 3.24Å
196Y93.7Very high90.7Very high25 Ų2567 Ų6710%0.09831%0.312CS..BIsolated β-bridgetrans-127.6145.6174.8-83.6-81.7000112.5A189 F190 H193 D200 L201 I204 T231 W232A189-Y196 HydrophobicContact CB-CE2 4.15Å; A189-Y196 WeakPolarHBondContact O-CE2 2.91Å; A189-Y196 PolarHBondContact O-OH 3.38Å; F190-Y196 AromaticContact CD1-CD2 3.88Å; F190-Y196 HydrophobicContact CD1-CD2 3.88Å; F190-Y196 AromaticContact CE1-CD2 3.92Å; F190-Y196 HydrophobicContact CE1-CD2 3.92Å; H193-Y196 HydrophobicContact CB-CD2 4.32Å; H193-Y196 HydrophobicContact CB-CE2 3.62Å; H193-Y196 AromaticContact ND1-CZ 3.97Å; H193-Y196 PolarHBondContact ND1-OH 3.25Å; H193-Y196 WeakPolarHBondContact O-CD2 3.26Å; H193-Y196 WeakPolarHBondContact O-CE2 3.49Å; Y196-D200 HydrophobicContact CD1-CB 4.25Å; Y196-L201 HydrophobicContact CD1-CD2 4.03Å; Y196-L201 HydrophobicContact CD1-CG 4.44Å; Y196-L201 HydrophobicContact CD2-CD2 4.04Å; Y196-L201 HydrophobicContact CG-CD2 3.67Å; Y196-L201 HydrophobicContact CG-CG 4.1Å; Y196-I204 HydrophobicContact CD1-CD1 4.24Å; Y196-I204 HydrophobicContact CE1-CD1 3.62Å; Y196-T231 CarbonylContact O-C 3.53Å; Y196-T231 VanDerWaalsContact O-CA 3.26Å; Y196-T231 WeakPolarHBondContact O-CA 3.33Å; Y196-T231 WeakPolarHBondContact O-CB 3.36Å; Y196-W232 PolarHBondContact N-O 2.94Å; Y196-W232 PolarHBondContact O-N 3.07Å
197R92.6Very high90.5Very high139 Ų13967.3 Ų67.353%0.52531%0.314SS..  trans-82.3150.8164.4-60.2178.5-58.9171.52.9109.8V199 D200 L201 T231R197-V199 PolarHBondContact O-N 3.25Å; R197-D200 IonicContact CZ-OD2 3.48Å; R197-D200 IonicContact NE-OD2 2.75Å; R197-D200 PolarHBondContact NE-OD2 3.38Å; R197-D200 IonicContact NH2-OD1 3Å; R197-D200 PolarHBondContact NH2-OD1 2.92Å; R197-D200 VanDerWaalsContact NH2-OD1 3.17Å; R197-D200 IonicContact NH2-OD2 3.34Å; R197-D200 PolarHBondContact NH2-OD2 3.12Å; R197-D200 PolarHBondContact O-N 2.85Å; R197-L201 PolarHBondContact O-N 2.61Å; R197-L201 VanDerWaalsContact O-N 3.15Å; R197-T231 HydrophobicContact CG-CG2 4.19Å
198L91.9Very high90.5Very high33 Ų3367.1 Ų67.117%0.17332%0.318CS..Hα-helixtrans-56.3-36.8177.9-172.971.7000112.8D200 L201 A202 P209 L212 K213 L216L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.4Å; L198-L201 PolarHBondContact O-N 3.05Å; L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.16Å; L198-P209 HydrophobicContact CD2-CB 4.06Å; L198-P209 HydrophobicContact CG-CB 4.45Å; L198-L212 HydrophobicContact CD1-CB 4.39Å; L198-L212 HydrophobicContact CD1-CD2 3.65Å; L198-L212 HydrophobicContact CD1-CG 4.18Å; L198-L212 HydrophobicContact CG-CD2 4.49Å; L198-K213 HydrophobicContact CD1-CG 3.94Å; L198-K213 HydrophobicContact CD2-CD 4.17Å; L198-K213 HydrophobicContact CD2-CG 3.93Å; L198-L216 HydrophobicContact CD1-CD1 3.81Å
199V91.7Very high90.4Very high89 Ų8964.9 Ų64.954%0.53931%0.313SS..Hα-helixtrans-63.8-36.4179.4-178.50000111.7R197 K203R197-V199 PolarHBondContact O-N 3.25Å; V199-K203 WeakPolarHBondContact O-CG 3.32Å; V199-K203 PolarHBondContact O-N 2.88Å
200D92.4Very high90.4Very high40 Ų4070.3 Ų70.321%0.21434%0.341CS..Hα-helixtrans-77.1-41.3-177.5-59-39.7000110Y196 R197 L198 A202 K203 I204Y196-D200 HydrophobicContact CD1-CB 4.25Å; R197-D200 IonicContact CZ-OD2 3.48Å; R197-D200 IonicContact NE-OD2 2.75Å; R197-D200 PolarHBondContact NE-OD2 3.38Å; R197-D200 IonicContact NH2-OD1 3Å; R197-D200 PolarHBondContact NH2-OD1 2.92Å; R197-D200 VanDerWaalsContact NH2-OD1 3.17Å; R197-D200 IonicContact NH2-OD2 3.34Å; R197-D200 PolarHBondContact NH2-OD2 3.12Å; R197-D200 PolarHBondContact O-N 2.85Å; L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.4Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.32Å; D200-K203 WeakPolarHBondContact O-CB 3.49Å; D200-K203 PolarHBondContact O-N 3.46Å; D200-K203 VanDerWaalsContact O-N 3.16Å; D200-I204 VanDerWaalsContact O-CG1 3.32Å; D200-I204 WeakPolarHBondContact O-CG1 3.3Å; D200-I204 PolarHBondContact O-N 3.34Å
201L92.2Very high90.3Very high0 Ų072.2 Ų72.20%035%0.348CS..Hα-helixtrans-61.6-39.1171.6-66.6175000112.2L186 A189 F190 Y196 R197 L198 K203 I204 T205 L212 L216L186-L201 HydrophobicContact CD2-CD1 4.2Å; L186-L201 HydrophobicContact CD2-CD2 3.95Å; L186-L201 HydrophobicContact CD2-CG 4.48Å; A189-L201 HydrophobicContact CB-CD2 4.19Å; F190-L201 HydrophobicContact CZ-CD1 4.25Å; Y196-L201 HydrophobicContact CD1-CD2 4.03Å; Y196-L201 HydrophobicContact CD1-CG 4.44Å; Y196-L201 HydrophobicContact CD2-CD2 4.04Å; Y196-L201 HydrophobicContact CG-CD2 3.67Å; Y196-L201 HydrophobicContact CG-CG 4.1Å; R197-L201 PolarHBondContact O-N 2.61Å; R197-L201 VanDerWaalsContact O-N 3.15Å; L198-L201 PolarHBondContact O-N 3.05Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 3.39Å; L201-I204 PolarHBondContact O-N 2.75Å; L201-T205 WeakPolarHBondContact O-CB 2.83Å; L201-T205 WeakPolarHBondContact O-CG2 3.1Å; L201-T205 PolarHBondContact O-N 2.79Å; L201-T205 PolarHBondContact O-OG1 2.8Å; L201-L212 HydrophobicContact CB-CD2 3.45Å; L201-L212 VanDerWaalsContact CB-CD2 3.45Å; L201-L216 HydrophobicContact CD1-CD1 3.79Å; L201-L216 HydrophobicContact CD1-CD2 4.05Å
202A91.4Very high90.6Very high17 Ų1764.6 Ų64.614%0.1431%0.313CS..Hα-helixtrans-62.7-34.5176.100000112.2L198 D200 Q206 P209 L212L198-A202 WeakPolarHBondContact O-CB 3.49Å; L198-A202 PolarHBondContact O-N 3.16Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.32Å; A202-Q206 VanDerWaalsContact O-CA 3.28Å; A202-Q206 WeakPolarHBondContact O-CA 3.48Å; A202-Q206 PolarHBondContact O-N 2.88Å; A202-P209 HydrophobicContact CB-CG 4.27Å; A202-L212 HydrophobicContact CB-CD2 4.42Å
203K89.7Confident90.7Very high135 Ų13561.2 Ų61.259%0.58730%0.298SS*.Hα-helixtrans-73.4-39.3174.7-71.2172.9-178.51750112.9V199 D200 L201 Q206V199-K203 WeakPolarHBondContact O-CG 3.32Å; V199-K203 PolarHBondContact O-N 2.88Å; D200-K203 WeakPolarHBondContact O-CB 3.49Å; D200-K203 PolarHBondContact O-N 3.46Å; D200-K203 VanDerWaalsContact O-N 3.16Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 3.39Å; K203-Q206 PolarHBondContact O-NE2 2.77Å
204I89.8Confident90.8Very high83 Ų8360.4 Ų60.443%0.42630%0.298SS..Hα-helixtrans-70.5-47.1-179.5-67.1164.1000110.4Y196 D200 L201Y196-I204 HydrophobicContact CD1-CD1 4.24Å; Y196-I204 HydrophobicContact CE1-CD1 3.62Å; D200-I204 VanDerWaalsContact O-CG1 3.32Å; D200-I204 WeakPolarHBondContact O-CG1 3.3Å; D200-I204 PolarHBondContact O-N 3.34Å; L201-I204 PolarHBondContact O-N 2.75Å
205T89.1Confident91Very high5 Ų557.4 Ų57.43%0.03128%0.284CS..Hα-helixtrans-83.9-16.3-175.461.80000113.2L182 L185 L186 L201 Q207 L212L182-T205 HydrophobicContact CD1-CG2 3.78Å; L185-T205 HydrophobicContact CD2-CG2 3.9Å; L185-T205 HydrophobicContact CG-CG2 4.36Å; L186-T205 HydrophobicContact CD2-CG2 4.19Å; L201-T205 WeakPolarHBondContact O-CB 2.83Å; L201-T205 WeakPolarHBondContact O-CG2 3.1Å; L201-T205 PolarHBondContact O-N 2.79Å; L201-T205 PolarHBondContact O-OG1 2.8Å; T205-Q207 WeakPolarHBondContact O-CG 3.27Å; T205-Q207 PolarHBondContact O-N 3.12Å; T205-Q207 PolarHBondContact OG1-N 2.87Å; T205-L212 HydrophobicContact CG2-CD1 4.22Å
206Q88.5Confident91Very high95 Ų9554.1 Ų54.144%0.44427%0.271SS..THydrogen-bonded Turntrans50.943-170-64.2-64.4-23.100110.9N174 A202 K203N174-Q206 WeakPolarHBondContact CB-O 3.41Å; N174-Q206 WeakPolarHBondContact ND2-CA 3.43Å; N174-Q206 PolarHBondContact ND2-O 3.3Å; N174-Q206 PolarHBondContact ND2-OE1 3.16Å; N174-Q206 VanDerWaalsContact ND2-OE1 3.1Å; A202-Q206 VanDerWaalsContact O-CA 3.28Å; A202-Q206 WeakPolarHBondContact O-CA 3.48Å; A202-Q206 PolarHBondContact O-N 2.88Å; K203-Q206 PolarHBondContact O-NE2 2.77Å
207Q87.4Confident90.9Very high8 Ų856.5 Ų56.54%0.03729%0.291CS..  trans-116.9147.2178.8-65.5-58.9-62.200111.4I175 R176 L177 L182 T205I175-Q207 PolarHBondContact O-NE2 2.9Å; R176-Q207 VanDerWaalsContact CA-OE1 3.28Å; L177-Q207 HydrophobicContact CD1-CG 3.98Å; L177-Q207 VanDerWaalsContact CD1-NE2 3.32Å; L182-Q207 HydrophobicContact CD1-CG 3.8Å; L182-Q207 HydrophobicContact CD2-CG 4.18Å; T205-Q207 WeakPolarHBondContact O-CG 3.27Å; T205-Q207 PolarHBondContact O-N 3.12Å; T205-Q207 PolarHBondContact OG1-N 2.87Å
208P89.5Confident90.8Very high46 Ų4653.1 Ų53.130%0.29928%0.283SS..  trans-56.4134.6175.5-2534.2000111.6N210 Y211 L212P208-N210 PolarHBondContact O-N 3Å; P208-Y211 PolarHBondContact O-N 2.88Å; P208-L212 PolarHBondContact O-N 2.81Å
209P89.7Confident90.7Very high65 Ų6551.8 Ų51.842%0.42228%0.276SS..Hα-helixtrans-55.4-29-177.1-28.134.3000114.6L198 A202 K213L198-P209 HydrophobicContact CD2-CB 4.06Å; L198-P209 HydrophobicContact CG-CB 4.45Å; A202-P209 HydrophobicContact CB-CG 4.27Å; P209-K213 VanDerWaalsContact O-CG 3.32Å; P209-K213 WeakPolarHBondContact O-CG 3.39Å; P209-K213 PolarHBondContact O-N 3Å; P209-K213 VanDerWaalsContact O-N 3.08Å
210N90.5Very high90.7Very high120 Ų12047.7 Ų47.764%0.64225%0.251SS*.Hα-helixtrans-69.7-48177.4-66-6.7000111.5P208 L212 K213 D214P208-N210 PolarHBondContact O-N 3Å; N210-L212 VanDerWaalsContact C-N 3.29Å; N210-L212 PolarHBondContact O-N 2.74Å; N210-K213 WeakPolarHBondContact O-CB 3.19Å; N210-K213 PolarHBondContact O-N 2.69Å; N210-D214 PolarHBondContact O-N 2.77Å
211Y90.6Very high90.6Very high41 Ų4149.3 Ų49.316%0.16126%0.258CS..Hα-helixtrans-64.9-37.7178.5-176.8-124.5000111.7R176 L177 R179 L182 P208 K213 D214 V215R176-Y211 HydrophobicContact CB-CE1 4.42Å; L177-Y211 WeakPolarHBondContact O-CE1 3.39Å; L177-Y211 PolarHBondContact O-OH 3.38Å; L177-Y211 VanDerWaalsContact O-OH 3.11Å; R179-Y211 WeakPolarHBondContact CA-OH 3.49Å; R179-Y211 PolarHBondContact N-OH 2.9Å; L182-Y211 HydrophobicContact CD2-CD1 3.72Å; L182-Y211 HydrophobicContact CD2-CE1 3.49Å; L182-Y211 VanDerWaalsContact CD2-CE1 3.49Å; P208-Y211 PolarHBondContact O-N 2.88Å; Y211-K213 PolarHBondContact O-N 2.88Å; Y211-D214 PolarHBondContact O-N 2.8Å; Y211-V215 HydrophobicContact CE2-CG2 4.38Å; Y211-V215 PolarHBondContact O-N 2.76Å
212L92.4Very high90.6Very high0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-63.3-40.4176-167.672000112.2L182 L186 L198 L201 A202 T205 P208 N210 D214 V215 L216L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD2-CD1 4.26Å; L182-L212 HydrophobicContact CG-CD1 4.48Å; L186-L212 HydrophobicContact CD1-CD1 4.2Å; L186-L212 HydrophobicContact CD2-CD1 3.92Å; L186-L212 HydrophobicContact CG-CD1 4.41Å; L198-L212 HydrophobicContact CD1-CB 4.39Å; L198-L212 HydrophobicContact CD1-CD2 3.65Å; L198-L212 HydrophobicContact CD1-CG 4.18Å; L198-L212 HydrophobicContact CG-CD2 4.49Å; L201-L212 HydrophobicContact CB-CD2 3.45Å; L201-L212 VanDerWaalsContact CB-CD2 3.45Å; A202-L212 HydrophobicContact CB-CD2 4.42Å; T205-L212 HydrophobicContact CG2-CD1 4.22Å; P208-L212 PolarHBondContact O-N 2.81Å; N210-L212 VanDerWaalsContact C-N 3.29Å; N210-L212 PolarHBondContact O-N 2.74Å; L212-D214 VanDerWaalsContact C-N 3.34Å; L212-V215 PolarHBondContact O-N 3.5Å; L212-L216 HydrophobicContact CD2-CD1 4.31Å; L212-L216 HydrophobicContact CG-CD1 3.9Å; L212-L216 HydrophobicContact CG-CG 4.42Å; L212-L216 VanDerWaalsContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CB 3.2Å; L212-L216 WeakPolarHBondContact O-CD1 3.44Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 2.82Å
213K91.6Very high90.6Very high93 Ų9354.9 Ų54.940%0.40428%0.278SS..Hα-helixtrans-60.8-42.9174.3-79.8177.3-178.6-176.40111.7L198 P209 N210 Y211 V215 L216 C217 W232L198-K213 HydrophobicContact CD1-CG 3.94Å; L198-K213 HydrophobicContact CD2-CD 4.17Å; L198-K213 HydrophobicContact CD2-CG 3.93Å; P209-K213 VanDerWaalsContact O-CG 3.32Å; P209-K213 WeakPolarHBondContact O-CG 3.39Å; P209-K213 PolarHBondContact O-N 3Å; P209-K213 VanDerWaalsContact O-N 3.08Å; N210-K213 WeakPolarHBondContact O-CB 3.19Å; N210-K213 PolarHBondContact O-N 2.69Å; Y211-K213 PolarHBondContact O-N 2.88Å; K213-V215 VanDerWaalsContact C-N 3.32Å; K213-V215 PolarHBondContact O-N 3.13Å; K213-L216 PolarHBondContact O-N 3.1Å; K213-C217 PolarHBondContact O-N 2.78Å; K213-C217 PolarHBondContact O-SG 2.84Å; K213-W232 HydrophobicContact CG-CZ2 4.39Å
214D92.2Very high90.5Very high99 Ų9952.2 Ų52.253%0.52927%0.273SS..Hα-helixtrans-59-45.4180-61.6-23.2000110.9N210 Y211 L212 D218N210-D214 PolarHBondContact O-N 2.77Å; Y211-D214 PolarHBondContact O-N 2.8Å; L212-D214 VanDerWaalsContact C-N 3.34Å; D214-D218 VanDerWaalsContact O-OD2 3.08Å
215V91.8Very high90.3Very high3 Ų354.6 Ų54.62%0.01828%0.284CS..Hα-helixtrans-71.8-36.6177.5-179.70000112.3R179 L182 L186 Y211 L212 K213 C217 D218 I219R179-V215 HydrophobicContact CG-CG2 4.2Å; L182-V215 HydrophobicContact CD2-CB 4.23Å; L182-V215 HydrophobicContact CD2-CG2 3.88Å; L182-V215 HydrophobicContact CG-CG1 4.44Å; L186-V215 HydrophobicContact CD1-CB 4.46Å; L186-V215 HydrophobicContact CD1-CG1 3.85Å; Y211-V215 HydrophobicContact CE2-CG2 4.38Å; Y211-V215 PolarHBondContact O-N 2.76Å; L212-V215 PolarHBondContact O-N 3.5Å; K213-V215 VanDerWaalsContact C-N 3.32Å; K213-V215 PolarHBondContact O-N 3.13Å; V215-C217 VanDerWaalsContact C-N 3.35Å; V215-C217 PolarHBondContact O-N 3.3Å; V215-D218 PolarHBondContact O-N 2.94Å; V215-I219 PolarHBondContact O-N 2.91Å
216L92.7Very high90Very high0 Ų059.2 Ų59.20%031%0.314CS..Hα-helixtrans-65.7-34.7177.2-77.3168.3000112.6L186 F190 L198 L201 L212 K213 D218 I219 A220 W232L186-L216 HydrophobicContact CD1-CD2 4.13Å; L186-L216 HydrophobicContact CD1-CG 4.35Å; L186-L216 HydrophobicContact CD2-CD2 4.19Å; F190-L216 HydrophobicContact CE2-CD2 3.96Å; F190-L216 HydrophobicContact CZ-CD2 4.13Å; L198-L216 HydrophobicContact CD1-CD1 3.81Å; L201-L216 HydrophobicContact CD1-CD1 3.79Å; L201-L216 HydrophobicContact CD1-CD2 4.05Å; L212-L216 HydrophobicContact CD2-CD1 4.31Å; L212-L216 HydrophobicContact CG-CD1 3.9Å; L212-L216 HydrophobicContact CG-CG 4.42Å; L212-L216 VanDerWaalsContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CB 3.2Å; L212-L216 WeakPolarHBondContact O-CD1 3.44Å; L212-L216 WeakPolarHBondContact O-CG 3.45Å; L212-L216 PolarHBondContact O-N 2.82Å; K213-L216 PolarHBondContact O-N 3.1Å; L216-D218 PolarHBondContact O-N 2.86Å; L216-I219 PolarHBondContact O-N 2.95Å; L216-A220 HydrophobicContact CB-CB 4.47Å; L216-A220 HydrophobicContact CD2-CB 3.84Å; L216-A220 CarbonylContact O-C 3.53Å; L216-A220 WeakPolarHBondContact O-CA 3.39Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 2.87Å; L216-A220 VanDerWaalsContact O-O 3.13Å; L216-W232 HydrophobicContact CB-CD2 4.04Å; L216-W232 HydrophobicContact CB-CE3 3.74Å; L216-W232 HydrophobicContact CB-CH2 4.05Å; L216-W232 HydrophobicContact CB-CZ2 4.36Å; L216-W232 HydrophobicContact CB-CZ3 3.73Å; L216-W232 HydrophobicContact CD1-CD2 3.89Å; L216-W232 HydrophobicContact CD1-CE3 4.44Å; L216-W232 HydrophobicContact CD1-CG 3.95Å; L216-W232 HydrophobicContact CD2-CB 4.42Å; L216-W232 HydrophobicContact CD2-CG 4.49Å; L216-W232 HydrophobicContact CG-CD2 4.39Å; L216-W232 HydrophobicContact CG-CE3 4.46Å
217C90.9Very high89.8Confident76 Ų7660.3 Ų60.351%0.51433%0.329SS..Hα-helixtrans-58.4-28.9174.8-740000112.7K213 V215 K235K213-C217 PolarHBondContact O-N 2.78Å; K213-C217 PolarHBondContact O-SG 2.84Å; V215-C217 VanDerWaalsContact C-N 3.35Å; V215-C217 PolarHBondContact O-N 3.3Å; C217-K235 PolarHBondContact O-NZ 2.92Å
218D90.4Very high89.7Confident68 Ų6863.1 Ų63.136%0.36434%0.342SS..Hα-helixtrans-79-40.9179.8-60.2-56.2000112.6R179 D214 V215 L216 K235R179-D218 IonicContact CZ-OD2 3Å; R179-D218 IonicContact NH1-OD2 3.39Å; R179-D218 PolarHBondContact NH1-OD2 2.87Å; R179-D218 IonicContact NH2-OD1 3.56Å; R179-D218 IonicContact NH2-OD2 2.6Å; R179-D218 PolarHBondContact NH2-OD2 3.2Å; D214-D218 VanDerWaalsContact O-OD2 3.08Å; V215-D218 PolarHBondContact O-N 2.94Å; L216-D218 PolarHBondContact O-N 2.86Å; D218-K235 PolarHBondContact O-NZ 3.06Å
219I91.2Very high89.6Confident4 Ų467.5 Ų67.52%0.02135%0.353CS..Hα-helixtrans-109.7-16.8-169.767.5178.1000115.2R183 L186 F187 V215 L216 L234 K235R183-I219 HydrophobicContact CG-CD1 4.31Å; R183-I219 HydrophobicContact CG-CG2 4.23Å; L186-I219 HydrophobicContact CB-CD1 3.92Å; L186-I219 HydrophobicContact CD1-CD1 3.76Å; L186-I219 HydrophobicContact CG-CD1 4.49Å; F187-I219 HydrophobicContact CE1-CD1 4.48Å; F187-I219 HydrophobicContact CZ-CG2 4.37Å; V215-I219 PolarHBondContact O-N 2.91Å; L216-I219 PolarHBondContact O-N 2.95Å; I219-L234 HydrophobicContact CD1-CD2 4.45Å; I219-L234 HydrophobicContact CG1-CD2 4.36Å; I219-K235 PolarHBondContact O-N 3.32Å
220A90.2Very high89.6Confident3 Ų370.3 Ų70.33%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-130.6165.3-171.200000112L216 W232 E233L216-A220 HydrophobicContact CB-CB 4.47Å; L216-A220 HydrophobicContact CD2-CB 3.84Å; L216-A220 CarbonylContact O-C 3.53Å; L216-A220 WeakPolarHBondContact O-CA 3.39Å; L216-A220 WeakPolarHBondContact O-CB 3.39Å; L216-A220 PolarHBondContact O-N 2.87Å; L216-A220 VanDerWaalsContact O-O 3.13Å; A220-W232 HydrophobicContact CB-CE3 3.89Å; A220-E233 CarbonylContact C-O 3.59Å; A220-E233 WeakPolarHBondContact CA-O 3.46Å; A220-E233 WeakPolarHBondContact CB-O 3.39Å
221Q90.9Very high89.7Confident75 Ų7565.3 Ų65.335%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-120.2147.1173.965.1-173.625.400110.4W232 E233Q221-W232 WeakPolarHBondContact O-CA 3.36Å; Q221-E233 HydrophobicContact CG-CG 3.53Å; Q221-E233 PolarHBondContact N-O 2.84Å; Q221-E233 PolarHBondContact NE2-OE1 2.78Å; Q221-E233 PolarHBondContact O-N 3.31Å
222Y93.1Very high89.9Confident106 Ų10664.5 Ų64.542%0.41633%0.326SS..EExtended strand (participates in β ladder)trans-99121.6-177.6179.8-111.8000111.1T224 Y230 T231 W232Y222-T224 HydrophobicContact CD1-CG2 3.86Å; Y222-T224 HydrophobicContact CE1-CG2 3.97Å; Y222-T224 PolarHBondContact O-N 2.85Å; Y222-Y230 WeakPolarHBondContact OH-CD1 3.49Å; Y222-T231 WeakPolarHBondContact CD2-O 3.47Å; Y222-W232 HydrophobicContact CD2-CD2 4.18Å; Y222-W232 AromaticContact CD2-CE2 3.84Å; Y222-W232 HydrophobicContact CD2-CG 4.42Å; Y222-W232 HydrophobicContact CD2-CZ2 4.25Å; Y222-W232 AromaticContact CD2-NE1 3.81Å
223N89.7Confident89.8Confident28 Ų2865.2 Ų65.215%0.1533%0.33CS..EExtended strand (participates in β ladder)trans-84.4116.1-176.8-71.4-23.1000111.3H228 Y230 T231 E233N223-H228 VanDerWaalsContact CB-O 3.24Å; N223-H228 WeakPolarHBondContact CB-O 3.35Å; N223-Y230 PolarHBondContact O-N 2.82Å; N223-T231 PolarHBondContact N-O 3.44Å; N223-E233 VanDerWaalsContact ND2-CD 3.32Å; N223-E233 PolarHBondContact OD1-OE1 3.17Å
224T88.6Confident89.9Confident78 Ų7861.1 Ų61.148%0.47931%0.312SS..  trans-98-14.8178.154.30000113.3Y222 R229Y222-T224 HydrophobicContact CD1-CG2 3.86Å; Y222-T224 HydrophobicContact CE1-CG2 3.97Å; Y222-T224 PolarHBondContact O-N 2.85Å; T224-R229 WeakPolarHBondContact O-CG 3.19Å
225M85.4Confident89.7Confident133 Ų13359.4 Ų59.466%0.65530%0.3SS*.SBendtrans-102.9149.4-177.6-61.1-60.1142.900111.9R229M225-R229 PolarHBondContact O-N 2.89Å
226P83.9Confident89.2Confident102 Ų10263.5 Ų63.566%0.66233%0.327SS*.SBendtrans-59.3153.2166.6-1932.3000111.1
227P84.3Confident88.7Confident118 Ų11870.9 Ų70.977%0.76636%0.361SS*.SBendcis-84.5-14.56.930.1-32.7000115.3
228H84.5Confident88.1Confident67 Ų6770.7 Ų70.731%0.3135%0.35SS..SBendtrans-105.642.6-174.8-57.3-64.3000113Y195 N223 Y230 T231Y195-H228 HydrophobicContact CD1-CB 3.73Å; Y195-H228 AromaticContact CD1-CD2 3.84Å; Y195-H228 AromaticContact CD1-CG 3.67Å; Y195-H228 AromaticContact CD2-CD2 3.81Å; Y195-H228 AromaticContact CD2-CE1 3.59Å; Y195-H228 AromaticContact CD2-CG 3.83Å; Y195-H228 AromaticContact CD2-ND1 3.69Å; Y195-H228 AromaticContact CD2-NE2 3.69Å; Y195-H228 HydrophobicContact CE1-CB 4.03Å; Y195-H228 AromaticContact CE1-CD2 3.44Å; Y195-H228 VanDerWaalsContact CE1-CD2 3.44Å; Y195-H228 WeakPolarHBondContact CE1-CD2 3.46Å; Y195-H228 AromaticContact CE1-CG 3.76Å; Y195-H228 AromaticContact CE2-CD2 3.44Å; Y195-H228 VanDerWaalsContact CE2-CD2 3.44Å; Y195-H228 WeakPolarHBondContact CE2-CD2 3.43Å; Y195-H228 AromaticContact CE2-CE1 3.64Å; Y195-H228 AromaticContact CE2-CG 3.95Å; Y195-H228 AromaticContact CE2-NE2 3.25Å; Y195-H228 VanDerWaalsContact CE2-NE2 3.25Å; Y195-H228 WeakPolarHBondContact CE2-NE2 3.32Å; Y195-H228 HydrophobicContact CG-CB 4.08Å; Y195-H228 AromaticContact CG-CG 3.69Å; Y195-H228 AromaticContact CG-ND1 3.81Å; Y195-H228 AromaticContact CZ-CD2 3.23Å; Y195-H228 AromaticContact CZ-CG 3.92Å; Y195-H228 AromaticContact CZ-NE2 3.52Å; N223-H228 VanDerWaalsContact CB-O 3.24Å; N223-H228 WeakPolarHBondContact CB-O 3.35Å; H228-Y230 PolarHBondContact O-N 3.36Å; H228-T231 HydrophobicContact CB-CG2 4.42Å; H228-T231 WeakPolarHBondContact CB-OG1 3.31Å; H228-T231 WeakPolarHBondContact O-CB 3.3Å; H228-T231 PolarHBondContact O-N 3.3Å; H228-T231 PolarHBondContact O-OG1 3.49Å
229R87.8Confident87.3Confident138 Ų13871 Ų7152%0.52135%0.346SS..THydrogen-bonded Turntrans-59.1137.5-178.9-169.9-179.8-171.1-1631.2111.2T224 M225 T231T224-R229 WeakPolarHBondContact O-CG 3.19Å; M225-R229 PolarHBondContact O-N 2.89Å; R229-T231 VanDerWaalsContact C-N 3.29Å; R229-T231 PolarHBondContact O-N 3.49Å
230Y89.8Confident86Confident125 Ų12579.1 Ų79.149%0.4938%0.384SS..THydrogen-bonded Turntrans6725179.3-44.3-51.8000114.8Y222 N223 H228Y222-Y230 WeakPolarHBondContact OH-CD1 3.49Å; N223-Y230 PolarHBondContact O-N 2.82Å; H228-Y230 PolarHBondContact O-N 3.36Å
231T92.8Very high84.5Confident15 Ų1582.8 Ų82.89%0.09240%0.398CS..EExtended strand (participates in β ladder)trans-110.9159173.867.40000111.3Y196 R197 Y222 N223 H228 R229Y196-T231 CarbonylContact O-C 3.53Å; Y196-T231 VanDerWaalsContact O-CA 3.26Å; Y196-T231 WeakPolarHBondContact O-CA 3.33Å; Y196-T231 WeakPolarHBondContact O-CB 3.36Å; R197-T231 HydrophobicContact CG-CG2 4.19Å; Y222-T231 WeakPolarHBondContact CD2-O 3.47Å; N223-T231 PolarHBondContact N-O 3.44Å; H228-T231 HydrophobicContact CB-CG2 4.42Å; H228-T231 WeakPolarHBondContact CB-OG1 3.31Å; H228-T231 WeakPolarHBondContact O-CB 3.3Å; H228-T231 PolarHBondContact O-N 3.3Å; H228-T231 PolarHBondContact O-OG1 3.49Å; R229-T231 VanDerWaalsContact C-N 3.29Å; R229-T231 PolarHBondContact O-N 3.49Å
232W93.5Very high82.6Confident23 Ų2387.8 Ų87.89%0.08742%0.421CS..EExtended strand (participates in β ladder)trans-101.8143.7168.2-67.185.6000108.8F190 Y196 K213 L216 A220 Q221 Y222F190-W232 WeakPolarHBondContact CE1-O 3.31Å; F190-W232 HydrophobicContact CZ-CB 4.11Å; Y196-W232 PolarHBondContact N-O 2.94Å; Y196-W232 PolarHBondContact O-N 3.07Å; K213-W232 HydrophobicContact CG-CZ2 4.39Å; L216-W232 HydrophobicContact CB-CD2 4.04Å; L216-W232 HydrophobicContact CB-CE3 3.74Å; L216-W232 HydrophobicContact CB-CH2 4.05Å; L216-W232 HydrophobicContact CB-CZ2 4.36Å; L216-W232 HydrophobicContact CB-CZ3 3.73Å; L216-W232 HydrophobicContact CD1-CD2 3.89Å; L216-W232 HydrophobicContact CD1-CE3 4.44Å; L216-W232 HydrophobicContact CD1-CG 3.95Å; L216-W232 HydrophobicContact CD2-CB 4.42Å; L216-W232 HydrophobicContact CD2-CG 4.49Å; L216-W232 HydrophobicContact CG-CD2 4.39Å; L216-W232 HydrophobicContact CG-CE3 4.46Å; A220-W232 HydrophobicContact CB-CE3 3.89Å; Q221-W232 WeakPolarHBondContact O-CA 3.36Å; Y222-W232 HydrophobicContact CD2-CD2 4.18Å; Y222-W232 AromaticContact CD2-CE2 3.84Å; Y222-W232 HydrophobicContact CD2-CG 4.42Å; Y222-W232 HydrophobicContact CD2-CZ2 4.25Å; Y222-W232 AromaticContact CD2-NE1 3.81Å
233E91.2Very high80.3Confident15 Ų1592.2 Ų92.27%0.0745%0.446CS..EExtended strand (participates in β ladder)trans-137152.7169.762.6175.5-179.300109.6Q194 Y195 A220 Q221 N223 R239Q194-E233 WeakPolarHBondContact O-CB 3.4Å; Y195-E233 HydrophobicContact CD1-CB 4.03Å; Y195-E233 HydrophobicContact CE1-CB 4.27Å; Y195-E233 WeakPolarHBondContact CE1-OE2 3.24Å; A220-E233 CarbonylContact C-O 3.59Å; A220-E233 WeakPolarHBondContact CA-O 3.46Å; A220-E233 WeakPolarHBondContact CB-O 3.39Å; Q221-E233 HydrophobicContact CG-CG 3.53Å; Q221-E233 PolarHBondContact N-O 2.84Å; Q221-E233 PolarHBondContact NE2-OE1 2.78Å; Q221-E233 PolarHBondContact O-N 3.31Å; N223-E233 VanDerWaalsContact ND2-CD 3.32Å; N223-E233 PolarHBondContact OD1-OE1 3.17Å; E233-R239 IonicContact OE1-NH2 2.92Å; E233-R239 PolarHBondContact OE1-NH2 2.79Å; E233-R239 IonicContact OE2-CZ 2.65Å; E233-R239 IonicContact OE2-NH2 3.71Å; E233-R239 PolarHBondContact OE2-NH2 2.83Å
234L92.2Very high78Confident8 Ų896 Ų964%0.04247%0.474CS..EExtended strand (participates in β ladder)trans-62.4144.6178.7-70.9174.9000111.9F187 F190 I219 R239F187-L234 HydrophobicContact CD1-CD1 3.84Å; F187-L234 HydrophobicContact CD1-CD2 3.83Å; F187-L234 HydrophobicContact CE1-CD1 4.2Å; F187-L234 HydrophobicContact CE1-CD2 3.7Å; F190-L234 HydrophobicContact CB-CD1 3.51Å; F190-L234 HydrophobicContact CB-CD2 4.49Å; F190-L234 HydrophobicContact CB-CG 3.78Å; F190-L234 HydrophobicContact CD1-CG 4.21Å; F190-L234 HydrophobicContact CD2-CD1 4.18Å; F190-L234 HydrophobicContact CD2-CD2 3.55Å; F190-L234 HydrophobicContact CD2-CG 3.65Å; F190-L234 HydrophobicContact CE2-CD2 3.96Å; F190-L234 HydrophobicContact CE2-CG 4.29Å; F190-L234 HydrophobicContact CG-CD1 3.96Å; F190-L234 HydrophobicContact CG-CD2 4.09Å; F190-L234 HydrophobicContact CG-CG 3.62Å; I219-L234 HydrophobicContact CD1-CD2 4.45Å; I219-L234 HydrophobicContact CG1-CD2 4.36Å; L234-R239 HydrophobicContact CB-CG 4.23Å; L234-R239 PolarHBondContact O-NE 3.25Å; L234-R239 PolarHBondContact O-NH2 2.91Å; L234-R239 VanDerWaalsContact O-NH2 3.11Å
235K89.6Confident75.5Confident63 Ų6398.1 Ų98.127%0.27449%0.492SS..  trans-57.4147.9169.1-72176.9-179.1168.50109.5C217 D218 I219 E237 Y238 R239C217-K235 PolarHBondContact O-NZ 2.92Å; D218-K235 PolarHBondContact O-NZ 3.06Å; I219-K235 PolarHBondContact O-N 3.32Å; K235-E237 PolarHBondContact O-N 2.89Å; K235-Y238 HydrophobicContact CB-CD2 4.22Å; K235-Y238 PolarHBondContact O-N 3.26Å; K235-R239 PolarHBondContact O-N 3.21Å
236P81.5Confident73.4Confident89 Ų8996.5 Ų96.558%0.57850%0.5SS*.G310 helixtrans-51.5-34-178.6-27.134.5000114Y238 R239P236-Y238 PolarHBondContact O-N 2.83Å; P236-R239 PolarHBondContact O-N 2.92Å
237E81.3Confident71.5Confident155 Ų15599.5 Ų99.572%0.72451%0.505SS*.G310 helixtrans-60.9-23.2177.9-62.4168.4-171.500114.4K235K235-E237 PolarHBondContact O-N 2.89Å
238Y79.2Confident69.5Low71 Ų71100.2 Ų100.228%0.27851%0.51SS..G310 helixtrans-112.53.6-177.9-61.1-69.2000113.2R183 F187 K235 P236 H240R183-Y238 VanDerWaalsContact NH2-CZ 3.3Å; R183-Y238 PolarHBondContact NH2-OH 3.43Å; F187-Y238 HydrophobicContact CE1-CD1 4.21Å; F187-Y238 HydrophobicContact CE1-CG 4.02Å; F187-Y238 AromaticContact CZ-CD1 3.81Å; F187-Y238 HydrophobicContact CZ-CD1 3.81Å; F187-Y238 HydrophobicContact CZ-CE1 4.4Å; F187-Y238 HydrophobicContact CZ-CG 4.03Å; K235-Y238 HydrophobicContact CB-CD2 4.22Å; K235-Y238 PolarHBondContact O-N 3.26Å; P236-Y238 PolarHBondContact O-N 2.83Å; Y238-H240 PolarHBondContact O-N 2.88Å; Y238-H240 PolarHBondContact O-ND1 3.27Å
239R73.4Confident67.6Low75 Ų75105.5 Ų105.528%0.28354%0.535SS..  trans-79.3117179.1-69.5-174.4-175.9176.92.4110.4E233 L234 K235 P236 Y241E233-R239 IonicContact OE1-NH2 2.92Å; E233-R239 PolarHBondContact OE1-NH2 2.79Å; E233-R239 IonicContact OE2-CZ 2.65Å; E233-R239 IonicContact OE2-NH2 3.71Å; E233-R239 PolarHBondContact OE2-NH2 2.83Å; L234-R239 HydrophobicContact CB-CG 4.23Å; L234-R239 PolarHBondContact O-NE 3.25Å; L234-R239 PolarHBondContact O-NH2 2.91Å; L234-R239 VanDerWaalsContact O-NH2 3.11Å; K235-R239 PolarHBondContact O-N 3.21Å; P236-R239 PolarHBondContact O-N 2.92Å; R239-Y241 HydrophobicContact CB-CD2 3.83Å; R239-Y241 HydrophobicContact CB-CE2 3.95Å; R239-Y241 HydrophobicContact CG-CD2 3.94Å; R239-Y241 HydrophobicContact CG-CE2 3.59Å
240H62.7Low65.4Low175 Ų175104 Ų10481%0.8155%0.545SS*.  trans-112.941.8170.1-61.579.7000110.4Y238 Q242Y238-H240 PolarHBondContact O-N 2.88Å; Y238-H240 PolarHBondContact O-ND1 3.27Å; H240-Q242 PolarHBondContact O-N 3.43Å
241Y60.2Low63.1Low80 Ų80102.9 Ų102.931%0.31456%0.556SS.*  trans-71.9123.7176.2-59.5-60.5000108.8Q194 R239 E243Q194-Y241 WeakPolarHBondContact CA-OH 3.3Å; Q194-Y241 HydrophobicContact CB-CE1 4.17Å; Q194-Y241 HydrophobicContact CG-CE1 4.43Å; Q194-Y241 HydrophobicContact CG-CE2 3.9Å; R239-Y241 HydrophobicContact CB-CD2 3.83Å; R239-Y241 HydrophobicContact CB-CE2 3.95Å; R239-Y241 HydrophobicContact CG-CD2 3.94Å; R239-Y241 HydrophobicContact CG-CE2 3.59Å; Y241-E243 PolarHBondContact O-N 3.23Å
242Q49.3Very low61.3Low180 Ų180111.7 Ų111.784%0.84161%0.613SS**  trans-60.8125.5159.1-68.3-175.2-6.800106.9H240 S244H240-Q242 PolarHBondContact O-N 3.43Å; Q242-S244 PolarHBondContact O-N 3.18Å
243E46.2Very low59.7Low199 Ų199116.2 Ų116.293%0.9364%0.64SS**  trans-69.179.2-176.5-146.3166.1-149.800109.3Y241 S245Y241-E243 PolarHBondContact O-N 3.23Å; E243-S245 PolarHBondContact O-N 3.02Å
244S41.5Very low58Low107 Ų107121.5 Ų121.575%0.74867%0.67SS**  trans-82.995.6175.261.80000109.3Q242 A246Q242-S244 PolarHBondContact O-N 3.18Å; S244-A246 PolarHBondContact O-N 3.12Å
245S34.5Very low56.1Low123 Ų123127.8 Ų127.886%0.8670%0.704SS**  trans8.4102.4154-46.30000116.8E243E243-S245 PolarHBondContact O-N 3.02Å
246A41.6Very low54.2Low99 Ų99131.6 Ų131.682%0.81873%0.73SS**  trans-130.9104.5156.800000108.2S244S244-A246 PolarHBondContact O-N 3.12Å
247E44.3Very low52.4Low165 Ų165134.3 Ų134.377%0.77174%0.739SS**  trans-57.7146.9-178.5-64.1174144.500112.7Q249E247-Q249 PolarHBondContact O-N 2.91Å
248P42.9Very low50.5Low133 Ų133132.9 Ų132.986%0.86474%0.74SS**  trans-78.3113.416731.5-27.6000109.1
249Q44Very low48.5Very low178 Ų178137.3 Ų137.383%0.83277%0.773SS**  trans-93.4123.3163.9-68.3-153.6-12.500110.4E247E247-Q249 PolarHBondContact O-N 2.91Å
250S41.7Very low46.6Very low107 Ų107142.1 Ų142.175%0.74881%0.811SS**  trans-57160.4174.1610000112.2
251S42.4Very low45.2Very low101 Ų101139.3 Ų139.371%0.70681%0.811SS**  -178.6-169.553.7-560000108.2
252P54Low43.9Very low200 Ų200144.7 Ų144.7100%1.29986%0.856SS**  -720-89.631.8-16.7000115.1

Retrieved 252 of 252 residues in 90.5 ms (Link to these results)

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