A0A077ZDV4_TRITR Loading...

Kringle domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M78.6Confident84.5Confident102 Ų10270.2 Ų70.250%0.50238%0.384SS..  0135.70-61.3-54.4-173.400109.2E10 P11 C12 L81 I86M1-E10 CarbonylContact C-O 3.47Å; M1-E10 WeakPolarHBondContact CA-O 3.41Å; M1-P11 HydrophobicContact SD-CB 4.43Å; M1-P11 HydrophobicContact SD-CG 4.27Å; M1-C12 PolarHBondContact O-SG 3.02Å; M1-L81 HydrophobicContact CE-CD1 3.98Å; M1-I86 HydrophobicContact CE-CD1 3.27Å; M1-I86 HydrophobicContact CG-CD1 4.39Å; M1-I86 HydrophobicContact SD-CD1 3.45Å; M1-I86 WeakPolarHBondContact SD-CD1 3.32Å
2C83.4Confident84.2Confident44 Ų4468.3 Ų68.330%0.29738%0.379SS..EExtended strand (participates in β ladder)trans-128.5164.4175.510.60000109.2R9 E10 C12C2-R9 CarbonylContact O-C 3.23Å; C2-R9 WeakPolarHBondContact O-CA 3.18Å; C2-R9 WeakPolarHBondContact O-CB 3.43Å; C2-E10 PolarHBondContact N-O 2.76Å; C2-E10 PolarHBondContact O-N 3.21Å; C2-C12 WeakPolarHBondContact CA-SG 3.36Å; C2-C12 HydrophobicContact CB-CB 4.39Å; C2-C12 WeakPolarHBondContact CB-SG 3.23Å; C2-C12 PolarHBondContact N-SG 3.06Å; C2-C12 WeakPolarHBondContact SG-CA 3.4Å; C2-C12 WeakPolarHBondContact SG-CB 3.15Å; C2-C12 CovalentContact SG-SG 2.01Å; C2-C12 PolarHBondContact SG-SG 3.13Å
3Y84.5Confident84Confident134 Ų13476.2 Ų76.253%0.52540%0.401SS..EExtended strand (participates in β ladder)trans-92.4120.9-179.3-72-84.7000109.8N5 T8 R9Y3-N5 VanDerWaalsContact C-N 3.34Å; Y3-N5 WeakPolarHBondContact CB-O 2.88Å; Y3-T8 WeakPolarHBondContact CA-O 3.34Å; Y3-R9 HydrophobicContact CD1-CG 3.73Å; Y3-R9 HydrophobicContact CE1-CG 3.59Å; Y3-R9 HydrophobicContact CG-CG 4.35Å
4I85.6Confident84.1Confident73 Ų7375.6 Ų75.637%0.37439%0.392SS..SBendtrans-75.1-34.6169-53.8161.4000109.3T8 E10 Q87I4-T8 HydrophobicContact CD1-CG2 4.41Å; I4-T8 PolarHBondContact N-O 3.14Å; I4-E10 HydrophobicContact CD1-CB 3.68Å; I4-E10 HydrophobicContact CD1-CG 3.9Å; I4-E10 HydrophobicContact CG1-CB 3.92Å; I4-E10 HydrophobicContact CG1-CG 3.56Å; I4-Q87 HydrophobicContact CD1-CB 4.04Å; I4-Q87 HydrophobicContact CD1-CG 3.94Å
5N87.9Confident84Confident77 Ų7771.8 Ų71.841%0.41238%0.376SS..SBendtrans-148.4-178.6174.163.648.6000109.8Y3 T7 T8Y3-N5 VanDerWaalsContact C-N 3.34Å; Y3-N5 WeakPolarHBondContact CB-O 2.88Å; N5-T7 PolarHBondContact O-N 3.44Å; N5-T7 PolarHBondContact OD1-N 3.28Å; N5-T7 PolarHBondContact OD1-OG1 3Å; N5-T7 VanDerWaalsContact OD1-OG1 3.13Å; N5-T8 PolarHBondContact N-O 3.23Å; N5-T8 PolarHBondContact ND2-OG1 3.3Å; N5-T8 PolarHBondContact O-N 3.41Å; N5-T8 VanDerWaalsContact OD1-CB 3.26Å; N5-T8 WeakPolarHBondContact OD1-CB 3.28Å; N5-T8 PolarHBondContact OD1-N 2.84Å; N5-T8 PolarHBondContact OD1-OG1 3.45Å
6A84.6Confident83.7Confident100 Ų10069.7 Ų69.783%0.82637%0.368SS*.SBendtrans-55.1-21.2-174.700000115.2
7T85.5Confident83.5Confident91 Ų9170.5 Ų70.556%0.55837%0.37SS*.SBendtrans-123.5-20-173.759.10000114.1N5N5-T7 PolarHBondContact O-N 3.44Å; N5-T7 PolarHBondContact OD1-N 3.28Å; N5-T7 PolarHBondContact OD1-OG1 3Å; N5-T7 VanDerWaalsContact OD1-OG1 3.13Å
8T85.2Confident83.8Confident23 Ų2368.7 Ų68.714%0.14136%0.358CS..  trans-112.9130.4-169.3-480000111.1Y3 I4 N5 Q87Y3-T8 WeakPolarHBondContact CA-O 3.34Å; I4-T8 HydrophobicContact CD1-CG2 4.41Å; I4-T8 PolarHBondContact N-O 3.14Å; N5-T8 PolarHBondContact N-O 3.23Å; N5-T8 PolarHBondContact ND2-OG1 3.3Å; N5-T8 PolarHBondContact O-N 3.41Å; N5-T8 VanDerWaalsContact OD1-CB 3.26Å; N5-T8 WeakPolarHBondContact OD1-CB 3.28Å; N5-T8 PolarHBondContact OD1-N 2.84Å; N5-T8 PolarHBondContact OD1-OG1 3.45Å; T8-Q87 HydrophobicContact CG2-CG 3.94Å
9R88.4Confident83.7Confident38 Ų3869.1 Ų69.114%0.14335%0.354CS..EExtended strand (participates in β ladder)trans-103.8164.8178.5-60.7177.8-62.3163.37.5112.3C2 Y3 L81 K84 P85 I86 Q87C2-R9 CarbonylContact O-C 3.23Å; C2-R9 WeakPolarHBondContact O-CA 3.18Å; C2-R9 WeakPolarHBondContact O-CB 3.43Å; Y3-R9 HydrophobicContact CD1-CG 3.73Å; Y3-R9 HydrophobicContact CE1-CG 3.59Å; Y3-R9 HydrophobicContact CG-CG 4.35Å; R9-L81 PolarHBondContact NH2-O 2.01Å; R9-K84 PolarHBondContact NH2-O 2.99Å; R9-P85 PolarHBondContact N-O 3.1Å; R9-I86 HydrophobicContact CB-CB 4.33Å; R9-I86 HydrophobicContact CB-CG1 4.09Å; R9-I86 CarbonylContact O-C 3.47Å; R9-I86 WeakPolarHBondContact O-CA 3.42Å; R9-I86 WeakPolarHBondContact O-CG1 3.09Å; R9-Q87 PolarHBondContact O-N 3.44Å
10E84.8Confident83.5Confident76 Ų7668.1 Ų68.136%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-146.1164.1165.466.2-177.9167.200111.1M1 C2 I4 C12M1-E10 CarbonylContact C-O 3.47Å; M1-E10 WeakPolarHBondContact CA-O 3.41Å; C2-E10 PolarHBondContact N-O 2.76Å; C2-E10 PolarHBondContact O-N 3.21Å; I4-E10 HydrophobicContact CD1-CB 3.68Å; I4-E10 HydrophobicContact CD1-CG 3.9Å; I4-E10 HydrophobicContact CG1-CB 3.92Å; I4-E10 HydrophobicContact CG1-CG 3.56Å; E10-C12 PolarHBondContact O-N 3.26Å
11P81.1Confident83.8Confident14 Ų1465.2 Ų65.29%0.09134%0.335CS..  trans-57.1129.6164.5-2334.6000111.3M1 Y14 Q87M1-P11 HydrophobicContact SD-CB 4.43Å; M1-P11 HydrophobicContact SD-CG 4.27Å; P11-Y14 HydrophobicContact CB-CE1 3.95Å; P11-Y14 HydrophobicContact CG-CE1 4.45Å; P11-Q87 WeakPolarHBondContact CD-O 3.42Å
12C80.6Confident84.2Confident47 Ų4763.9 Ų63.932%0.31833%0.329SS..  trans-82-40.1179-62.20000113.4M1 C2 E10M1-C12 PolarHBondContact O-SG 3.02Å; C2-C12 WeakPolarHBondContact CA-SG 3.36Å; C2-C12 HydrophobicContact CB-CB 4.39Å; C2-C12 WeakPolarHBondContact CB-SG 3.23Å; C2-C12 PolarHBondContact N-SG 3.06Å; C2-C12 WeakPolarHBondContact SG-CA 3.4Å; C2-C12 WeakPolarHBondContact SG-CB 3.15Å; C2-C12 CovalentContact SG-SG 2.01Å; C2-C12 PolarHBondContact SG-SG 3.13Å; E10-C12 PolarHBondContact O-N 3.26Å
13Y82Confident84.7Confident171 Ų17162 Ų6267%0.67132%0.316SS*.  trans-142.6136.1-170-59.6-75.1000106.6N35Y13-N35 PolarHBondContact O-ND2 3.46Å
14Y84.7Confident85.1Confident68 Ų6855.6 Ų55.627%0.26729%0.291SS..  trans-92.4148.2165.3-59.6-58.1000108.2P11 C16 N35 P37 Q90P11-Y14 HydrophobicContact CB-CE1 3.95Å; P11-Y14 HydrophobicContact CG-CE1 4.45Å; Y14-C16 PolarHBondContact O-N 3Å; Y14-N35 CarbonylContact C-O 3.56Å; Y14-N35 WeakPolarHBondContact CA-O 3.2Å; Y14-N35 WeakPolarHBondContact CB-O 3.42Å; Y14-P37 HydrophobicContact CD2-CB 3.91Å; Y14-P37 HydrophobicContact CD2-CG 4.37Å; Y14-P37 HydrophobicContact CE1-CB 4.41Å; Y14-P37 HydrophobicContact CE2-CB 3.7Å; Y14-P37 HydrophobicContact CG-CB 4.36Å; Y14-Q90 HydrophobicContact CE1-CG 4.1Å; Y14-Q90 PolarHBondContact OH-NE2 3.18Å
15A83.8Confident85.4Confident19 Ų1954 Ų5416%0.15728%0.283CS..  trans-63.7135.1167.800000107.9E17 Y18 R19 N35A15-E17 VanDerWaalsContact CB-CD 3.44Å; A15-E17 HydrophobicContact CB-CG 4.1Å; A15-E17 WeakPolarHBondContact CB-OE2 3.4Å; A15-E17 PolarHBondContact O-N 2.93Å; A15-Y18 HydrophobicContact CB-CD2 3.43Å; A15-Y18 VanDerWaalsContact CB-CD2 3.43Å; A15-Y18 HydrophobicContact CB-CE2 3.93Å; A15-Y18 HydrophobicContact CB-CG 4.06Å; A15-Y18 PolarHBondContact O-N 3.38Å; A15-R19 PolarHBondContact O-N 3.47Å; A15-N35 HydrophobicContact CB-CB 4.48Å; A15-N35 PolarHBondContact N-O 2.95Å
16C78.4Confident85.4Confident38 Ų3853.6 Ų53.626%0.25728%0.276SS..Hα-helixtrans-64.2-36.8-172.9-630000110.8Y14 Y18 R19 C249Y14-C16 PolarHBondContact O-N 3Å; C16-Y18 PolarHBondContact O-N 3.18Å; C16-R19 WeakPolarHBondContact O-CB 3.28Å; C16-R19 PolarHBondContact O-N 3.49Å; C16-C249 HydrophobicContact CB-CB 3.9Å; C16-C249 WeakPolarHBondContact CB-SG 3.48Å; C16-C249 WeakPolarHBondContact SG-CA 3.4Å; C16-C249 WeakPolarHBondContact SG-CB 3.31Å; C16-C249 CovalentContact SG-SG 2.05Å; C16-C249 PolarHBondContact SG-SG 2.59Å
17E81.2Confident85.5Confident83 Ų8353.1 Ų53.139%0.38826%0.26SS..Hα-helixtrans-59.4-23.8172.263.4-90.2-143.700113.7A15 N237A15-E17 VanDerWaalsContact CB-CD 3.44Å; A15-E17 HydrophobicContact CB-CG 4.1Å; A15-E17 WeakPolarHBondContact CB-OE2 3.4Å; A15-E17 PolarHBondContact O-N 2.93Å; E17-N237 PolarHBondContact O-ND2 3.2Å; E17-N237 PolarHBondContact O-OD1 3.16Å
18Y88.4Confident85.8Confident39 Ų3952.1 Ų52.115%0.15325%0.251CS..Hα-helixtrans-100.7-7.1-178.3-60.2-27000113.6A15 C16 N20 L21 I32 E33 Y34 N35A15-Y18 HydrophobicContact CB-CD2 3.43Å; A15-Y18 VanDerWaalsContact CB-CD2 3.43Å; A15-Y18 HydrophobicContact CB-CE2 3.93Å; A15-Y18 HydrophobicContact CB-CG 4.06Å; A15-Y18 PolarHBondContact O-N 3.38Å; C16-Y18 PolarHBondContact O-N 3.18Å; Y18-N20 PolarHBondContact O-N 2.96Å; Y18-L21 HydrophobicContact CD1-CD2 3.97Å; Y18-I32 HydrophobicContact CD1-CD1 4.32Å; Y18-I32 HydrophobicContact CE1-CD1 3.73Å; Y18-I32 HydrophobicContact CE1-CG1 4.07Å; Y18-E33 WeakPolarHBondContact CE2-O 3.48Å; Y18-Y34 HydrophobicContact CD1-CD2 4.3Å; Y18-Y34 HydrophobicContact CD2-CD2 4.4Å; Y18-Y34 AromaticContact CG-CD2 3.97Å; Y18-Y34 HydrophobicContact CG-CD2 3.97Å; Y18-Y34 HydrophobicContact CG-CE2 4.19Å; Y18-Y34 PolarHBondContact O-OH 3.33Å; Y18-N35 HydrophobicContact CD2-CB 4Å; Y18-N35 HydrophobicContact CE2-CB 4.39Å
19R81.3Confident86Confident75 Ų7551.6 Ų51.628%0.28325%0.247SC..Hα-helixtrans-63.1-46.4-173.6-169.3177.1-169.8128.412.4112.3A15 C16 P37 H246A15-R19 PolarHBondContact O-N 3.47Å; C16-R19 WeakPolarHBondContact O-CB 3.28Å; C16-R19 PolarHBondContact O-N 3.49Å; R19-P37 HydrophobicContact CG-CG 4.36Å; R19-P37 WeakPolarHBondContact O-CG 3.29Å; R19-H246 VanDerWaalsContact NH1-CG 3.28Å; R19-H246 PolarHBondContact NH2-CD2 3.17Å; R19-H246 PolarHBondContact NH2-CE1 2.98Å; R19-H246 PolarHBondContact NH2-ND1 3.3Å; R19-H246 PolarHBondContact NH2-NE2 3.25Å
20N80.5Confident85.9Confident50 Ų5052.2 Ų52.227%0.26725%0.253SS..THydrogen-bonded Turntrans-114.521.1-177.1-60.7-38000112Y18 L22Y18-N20 PolarHBondContact O-N 2.96Å; N20-L22 PolarHBondContact O-N 3.41Å
21L88.4Confident86Confident8 Ų853.4 Ų53.44%0.04226%0.262CS..  trans-61.7125.7178.3-162.269.7000109.3Y18 C23 I24 I32 Y34 F134 E233 N237Y18-L21 HydrophobicContact CD1-CD2 3.97Å; L21-C23 WeakPolarHBondContact CD1-O 3.26Å; L21-C23 WeakPolarHBondContact CG-O 3.45Å; L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 HydrophobicContact CD2-CG1 3.74Å; L21-I24 HydrophobicContact CG-CG1 4.38Å; L21-I32 HydrophobicContact CD2-CD1 4.04Å; L21-Y34 HydrophobicContact CB-CE2 4.29Å; L21-Y34 HydrophobicContact CD2-CD2 3.73Å; L21-Y34 HydrophobicContact CD2-CE2 3.68Å; L21-F134 HydrophobicContact CB-CE1 4.12Å; L21-F134 HydrophobicContact CD2-CE1 4.04Å; L21-F134 HydrophobicContact CD2-CZ 4.23Å; L21-F134 HydrophobicContact CG-CE1 4.06Å; L21-F134 WeakPolarHBondContact O-CE1 3.01Å; L21-E233 HydrophobicContact CD1-CG 3.56Å; L21-N237 VanDerWaalsContact CD1-OD1 3.25Å; L21-N237 WeakPolarHBondContact CD1-OD1 3.17Å
22L89Confident86.4Confident73 Ų7353.3 Ų53.338%0.38226%0.26SS..  trans-108.6-38.5-177.5-77.3162000112N20 M140 R236N20-L22 PolarHBondContact O-N 3.41Å; L22-M140 WeakPolarHBondContact O-CE 3.14Å; L22-R236 HydrophobicContact CD1-CB 4.38Å; L22-R236 HydrophobicContact CD1-CG 4.43Å; L22-R236 VanDerWaalsContact CD1-NH1 3.29Å
23C92.7Very high87Confident4 Ų458 Ų583%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-136.2165174.862.70000109L21 L135 C137 M140L21-C23 WeakPolarHBondContact CD1-O 3.26Å; L21-C23 WeakPolarHBondContact CG-O 3.45Å; C23-L135 WeakPolarHBondContact CA-O 2.98Å; C23-C137 HydrophobicContact CB-CB 3.87Å; C23-C137 WeakPolarHBondContact CB-SG 3.21Å; C23-C137 WeakPolarHBondContact SG-CA 3.5Å; C23-C137 WeakPolarHBondContact SG-CB 3.42Å; C23-C137 CovalentContact SG-SG 2.04Å; C23-C137 PolarHBondContact SG-SG 3.31Å; C23-M140 HydrophobicContact CB-CB 4.42Å; C23-M140 HydrophobicContact CB-CE 3.83Å; C23-M140 HydrophobicContact CB-SD 3.94Å
24I92.6Very high87.4Confident0 Ų050.5 Ų50.50%025%0.248CC..EExtended strand (participates in β ladder)trans-120.9136.2175.3-64.5159.9000106.9L21 R26 N28 M29 I32 P118 F134 L135 T136 C137L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 HydrophobicContact CD2-CG1 3.74Å; L21-I24 HydrophobicContact CG-CG1 4.38Å; I24-R26 PolarHBondContact O-N 2.88Å; I24-N28 HydrophobicContact CG2-CB 3.81Å; I24-M29 HydrophobicContact CB-CE 4.07Å; I24-M29 HydrophobicContact CB-SD 3.97Å; I24-M29 HydrophobicContact CD1-SD 3.89Å; I24-M29 HydrophobicContact CG2-CB 4.33Å; I24-M29 HydrophobicContact CG2-SD 4.18Å; I24-I32 HydrophobicContact CD1-CD1 4.18Å; I24-I32 HydrophobicContact CD1-CG2 4.08Å; I24-I32 HydrophobicContact CG1-CD1 4.04Å; I24-I32 HydrophobicContact CG2-CD1 4.12Å; I24-I32 HydrophobicContact CG2-CG2 4.23Å; I24-P118 HydrophobicContact CD1-CG 3.65Å; I24-F134 HydrophobicContact CD1-CB 3.75Å; I24-F134 HydrophobicContact CD1-CD1 4.08Å; I24-F134 HydrophobicContact CD1-CD2 3.6Å; I24-F134 HydrophobicContact CD1-CE2 4.19Å; I24-F134 HydrophobicContact CD1-CG 3.54Å; I24-F134 HydrophobicContact CG1-CB 4.23Å; I24-F134 HydrophobicContact CG1-CD1 4.19Å; I24-F134 HydrophobicContact CG1-CG 4.09Å; I24-L135 PolarHBondContact N-O 3.27Å; I24-T136 CarbonylContact O-C 3.2Å; I24-T136 WeakPolarHBondContact O-CA 3.31Å; I24-C137 PolarHBondContact O-N 2.78Å
25D91.7Very high87.7Confident40 Ų4050.7 Ų50.721%0.21425%0.254CS..  trans-62.1141.7177-71.3-22.5000109.2D27 N28 M29 C137 E233D25-D27 PolarHBondContact O-N 3.31Å; D25-D27 VanDerWaalsContact O-N 3.09Å; D25-N28 WeakPolarHBondContact O-CB 3.44Å; D25-N28 PolarHBondContact O-N 3.04Å; D25-M29 PolarHBondContact O-N 2.96Å; D25-M29 VanDerWaalsContact O-N 3.15Å; D25-C137 WeakPolarHBondContact OD1-CB 3.22Å; D25-C137 PolarHBondContact OD1-SG 3.27Å; D25-C137 VanDerWaalsContact OD1-SG 3.37Å; D25-E233 HydrophobicContact CB-CB 4.31Å; D25-E233 VanDerWaalsContact CG-CB 3.49Å; D25-E233 PolarHBondContact N-OE2 3.32Å; D25-E233 VanDerWaalsContact N-OE2 3.13Å; D25-E233 PolarHBondContact OD1-N 3.38Å; D25-E233 WeakPolarHBondContact OD2-CB 3.38Å
26R89.4Confident88Confident69 Ų6949.9 Ų49.926%0.2625%0.247SC..THydrogen-bonded Turntrans-52-40.5-172.7-176.3-177.9-60.9138.5-0.5113.1I24 N28 M29 T136 E138 V157I24-R26 PolarHBondContact O-N 2.88Å; R26-N28 PolarHBondContact O-N 3.29Å; R26-M29 WeakPolarHBondContact O-CB 3.29Å; R26-M29 PolarHBondContact O-N 3.08Å; R26-T136 HydrophobicContact CB-CG2 4.11Å; R26-T136 HydrophobicContact CG-CG2 4.26Å; R26-E138 WeakPolarHBondContact CB-OE1 3.22Å; R26-E138 WeakPolarHBondContact CB-OE2 3.18Å; R26-E138 PolarHBondContact N-OE1 3.27Å; R26-E138 PolarHBondContact N-OE2 3.4Å; R26-E138 VanDerWaalsContact N-OE2 3.08Å; R26-E138 VanDerWaalsContact NH2-CB 3.3Å; R26-V157 PolarHBondContact NH2-O 3.09Å
27D86.8Confident88.7Confident90 Ų9050 Ų5048%0.48125%0.248SC..THydrogen-bonded Turntrans-70.7-19.7-178.1-63.9-21.3000113.2D25 Y270D25-D27 PolarHBondContact O-N 3.31Å; D25-D27 VanDerWaalsContact O-N 3.09Å; D27-Y270 PolarHBondContact OD2-OH 3.28Å
28N90.5Very high89.3Confident70 Ų7048.2 Ų48.237%0.37424%0.239SC..THydrogen-bonded Turntrans-92.1-21176.6-66.2-15.6000112.6I24 D25 R26 L30 N31 I32 E233I24-N28 HydrophobicContact CG2-CB 3.81Å; D25-N28 WeakPolarHBondContact O-CB 3.44Å; D25-N28 PolarHBondContact O-N 3.04Å; R26-N28 PolarHBondContact O-N 3.29Å; N28-L30 VanDerWaalsContact C-N 3.26Å; N28-L30 PolarHBondContact O-N 3.23Å; N28-L30 VanDerWaalsContact O-N 3.08Å; N28-N31 PolarHBondContact O-N 3.22Å; N28-I32 WeakPolarHBondContact O-CB 3.39Å; N28-I32 PolarHBondContact O-N 2.9Å; N28-E233 PolarHBondContact ND2-OE2 3.22Å
29M89.6Confident89.7Confident11 Ų1149.4 Ų49.45%0.05425%0.247CC..THydrogen-bonded Turntrans-53.4-38.5-167.8-171.463.492.800113.9I24 D25 R26 N93 G117 F134 T136I24-M29 HydrophobicContact CB-CE 4.07Å; I24-M29 HydrophobicContact CB-SD 3.97Å; I24-M29 HydrophobicContact CD1-SD 3.89Å; I24-M29 HydrophobicContact CG2-CB 4.33Å; I24-M29 HydrophobicContact CG2-SD 4.18Å; D25-M29 PolarHBondContact O-N 2.96Å; D25-M29 VanDerWaalsContact O-N 3.15Å; R26-M29 WeakPolarHBondContact O-CB 3.29Å; R26-M29 PolarHBondContact O-N 3.08Å; M29-N93 PolarHBondContact O-ND2 3.05Å; M29-G117 WeakPolarHBondContact O-CA 2.86Å; M29-F134 HydrophobicContact CE-CB 4.27Å; M29-T136 HydrophobicContact CE-CG2 3.63Å
30L85.5Confident90.4Very high52 Ų5248.2 Ų48.227%0.27225%0.249SC..THydrogen-bonded Turntrans-83.4-19.6-177.6-62.8-176.6000114.2N28 L95 Q101 L115N28-L30 VanDerWaalsContact C-N 3.26Å; N28-L30 PolarHBondContact O-N 3.23Å; N28-L30 VanDerWaalsContact O-N 3.08Å; L30-L95 HydrophobicContact CB-CD2 3.95Å; L30-L95 HydrophobicContact CD2-CD2 3.93Å; L30-L95 HydrophobicContact CG-CD2 4.43Å; L30-Q101 PolarHBondContact O-NE2 2.01Å; L30-L115 HydrophobicContact CD2-CB 4.27Å; L30-L115 VanDerWaalsContact CD2-O 3.22Å; L30-L115 WeakPolarHBondContact CD2-O 3.45Å
31N88.8Confident91.1Very high101 Ų10146 Ų4654%0.5424%0.237SC..THydrogen-bonded Turntrans-120-7.3-167.5-58.2-45.1000113.7N28 E33 Q101N28-N31 PolarHBondContact O-N 3.22Å; N31-E33 PolarHBondContact O-N 3.25Å; N31-Q101 PolarHBondContact OD1-NE2 2.87Å
32I89.5Confident91.3Very high11 Ų1147.6 Ų47.66%0.05625%0.247CC..  trans-66119.7179.1-171.1172.4000111.7Y18 L21 I24 N28 Y34 N93 P118Y18-I32 HydrophobicContact CD1-CD1 4.32Å; Y18-I32 HydrophobicContact CE1-CD1 3.73Å; Y18-I32 HydrophobicContact CE1-CG1 4.07Å; L21-I32 HydrophobicContact CD2-CD1 4.04Å; I24-I32 HydrophobicContact CD1-CD1 4.18Å; I24-I32 HydrophobicContact CD1-CG2 4.08Å; I24-I32 HydrophobicContact CG1-CD1 4.04Å; I24-I32 HydrophobicContact CG2-CD1 4.12Å; I24-I32 HydrophobicContact CG2-CG2 4.23Å; N28-I32 WeakPolarHBondContact O-CB 3.39Å; N28-I32 PolarHBondContact O-N 2.9Å; I32-Y34 PolarHBondContact O-N 2.79Å; I32-N93 VanDerWaalsContact O-CB 3.26Å; I32-N93 WeakPolarHBondContact O-CB 3.44Å; I32-N93 PolarHBondContact O-ND2 3.44Å; I32-P118 HydrophobicContact CG2-CG 4.05Å
33E91.4Very high91.4Very high146 Ų14649.4 Ų49.468%0.68225%0.249SC*.  trans-8066.3169.5-67.8-174.3-17300110.2Y18 N31 N35 T96Y18-E33 WeakPolarHBondContact CE2-O 3.48Å; N31-E33 PolarHBondContact O-N 3.25Å; E33-N35 PolarHBondContact O-N 3.32Å; E33-N35 VanDerWaalsContact O-N 3.13Å; E33-T96 HydrophobicContact CG-CG2 4.3Å
34Y92.2Very high91.4Very high14 Ų1451.7 Ų51.76%0.05527%0.274CS..  trans-56.7119.4-174.3-179.7-101.7000112.1Y18 L21 I32 G36 K38 C91 P118 F134Y18-Y34 HydrophobicContact CD1-CD2 4.3Å; Y18-Y34 HydrophobicContact CD2-CD2 4.4Å; Y18-Y34 AromaticContact CG-CD2 3.97Å; Y18-Y34 HydrophobicContact CG-CD2 3.97Å; Y18-Y34 HydrophobicContact CG-CE2 4.19Å; Y18-Y34 PolarHBondContact O-OH 3.33Å; L21-Y34 HydrophobicContact CB-CE2 4.29Å; L21-Y34 HydrophobicContact CD2-CD2 3.73Å; L21-Y34 HydrophobicContact CD2-CE2 3.68Å; I32-Y34 PolarHBondContact O-N 2.79Å; Y34-G36 WeakPolarHBondContact CE1-O 3.34Å; Y34-G36 VanDerWaalsContact OH-CA 3.23Å; Y34-G36 WeakPolarHBondContact OH-CA 3.45Å; Y34-K38 HydrophobicContact CE1-CB 4.29Å; Y34-K38 WeakPolarHBondContact OH-CB 3.48Å; Y34-K38 PolarHBondContact OH-N 3.26Å; Y34-C91 HydrophobicContact CD1-CB 4.34Å; Y34-C91 WeakPolarHBondContact CD1-O 3.35Å; Y34-C91 HydrophobicContact CE1-CB 4.24Å; Y34-P118 HydrophobicContact CG-CB 4.48Å; Y34-P118 HydrophobicContact CG-CG 4.23Å; Y34-F134 HydrophobicContact CD1-CE2 4.39Å; Y34-F134 HydrophobicContact CD2-CE2 4.2Å; Y34-F134 HydrophobicContact CD2-CZ 4.06Å; Y34-F134 HydrophobicContact CE1-CE2 4.19Å; Y34-F134 HydrophobicContact CE1-CZ 4.19Å; Y34-F134 HydrophobicContact CE2-CE1 4.41Å; Y34-F134 HydrophobicContact CE2-CE2 4Å; Y34-F134 AromaticContact CE2-CZ 3.47Å; Y34-F134 HydrophobicContact CE2-CZ 3.47Å; Y34-F134 VanDerWaalsContact CE2-CZ 3.47Å; Y34-F134 HydrophobicContact CG-CE2 4.39Å; Y34-F134 AromaticContact CZ-CZ 3.55Å
35N90Very high91.6Very high71 Ų7154.1 Ų54.138%0.3829%0.287SS..  trans-127.764.917518025.5000110.3Y13 Y14 A15 Y18 E33Y13-N35 PolarHBondContact O-ND2 3.46Å; Y14-N35 CarbonylContact C-O 3.56Å; Y14-N35 WeakPolarHBondContact CA-O 3.2Å; Y14-N35 WeakPolarHBondContact CB-O 3.42Å; A15-N35 HydrophobicContact CB-CB 4.48Å; A15-N35 PolarHBondContact N-O 2.95Å; Y18-N35 HydrophobicContact CD2-CB 4Å; Y18-N35 HydrophobicContact CE2-CB 4.39Å; E33-N35 PolarHBondContact O-N 3.32Å; E33-N35 VanDerWaalsContact O-N 3.13Å
36G90.8Very high91.8Very high2 Ų256.6 Ų56.62%0.02131%0.305CS..SBendtrans-127.8175.5178.300000113.3Y34 K38 Q90Y34-G36 WeakPolarHBondContact CE1-O 3.34Å; Y34-G36 VanDerWaalsContact OH-CA 3.23Å; Y34-G36 WeakPolarHBondContact OH-CA 3.45Å; G36-K38 VanDerWaalsContact C-N 3.34Å; G36-K38 PolarHBondContact O-N 2.82Å; G36-Q90 WeakPolarHBondContact O-CG 3.47Å
37P91.7Very high92.2Very high41 Ų4153.8 Ų53.827%0.26630%0.296SS..  trans-81.5-6.6-172.832.4-36000114.4Y14 R19 N39Y14-P37 HydrophobicContact CD2-CB 3.91Å; Y14-P37 HydrophobicContact CD2-CG 4.37Å; Y14-P37 HydrophobicContact CE1-CB 4.41Å; Y14-P37 HydrophobicContact CE2-CB 3.7Å; Y14-P37 HydrophobicContact CG-CB 4.36Å; R19-P37 HydrophobicContact CG-CG 4.36Å; R19-P37 WeakPolarHBondContact O-CG 3.29Å; P37-N39 PolarHBondContact O-N 2.91Å
38K94.4Very high92.7Very high46 Ų4651.1 Ų51.120%0.228%0.281CS..  trans-60.2125-171.6-169.3172-163.4171.50110.7Y34 G36 Q90 C91 C133 F134Y34-K38 HydrophobicContact CE1-CB 4.29Å; Y34-K38 WeakPolarHBondContact OH-CB 3.48Å; Y34-K38 PolarHBondContact OH-N 3.26Å; G36-K38 VanDerWaalsContact C-N 3.34Å; G36-K38 PolarHBondContact O-N 2.82Å; K38-Q90 CarbonylContact O-C 3.59Å; K38-Q90 VanDerWaalsContact O-CA 3.23Å; K38-Q90 WeakPolarHBondContact O-CA 3.42Å; K38-C91 PolarHBondContact O-N 3.07Å; K38-C91 PolarHBondContact O-SG 3.48Å; K38-C133 HydrophobicContact CD-CB 4.32Å; K38-C133 WeakPolarHBondContact CE-O 3.39Å; K38-C133 PolarHBondContact NZ-O 3.05Å; K38-F134 HydrophobicContact CB-CZ 3.95Å; K38-F134 HydrophobicContact CD-CD1 4.06Å; K38-F134 HydrophobicContact CD-CD2 4.36Å; K38-F134 HydrophobicContact CD-CE1 3.41Å; K38-F134 VanDerWaalsContact CD-CE1 3.41Å; K38-F134 HydrophobicContact CD-CE2 3.75Å; K38-F134 HydrophobicContact CD-CG 4.49Å; K38-F134 HydrophobicContact CD-CZ 3.23Å; K38-F134 HydrophobicContact CG-CZ 4.19Å
39N96.2Very high92.8Very high63 Ų6350.7 Ų50.734%0.33728%0.277SS..  trans-135.432.2-176.266.4-0.6000111.8P37 C47 N89P37-N39 PolarHBondContact O-N 2.91Å; N39-C47 HydrophobicContact CB-CB 4.38Å; N39-C47 VanDerWaalsContact O-CB 3.26Å; N39-C47 WeakPolarHBondContact O-CB 3Å; N39-C47 PolarHBondContact O-N 3.31Å; N39-C47 PolarHBondContact O-SG 2.91Å; N39-N89 WeakPolarHBondContact CB-O 3.5Å
40T96.8Very high93Very high51 Ų5150.2 Ų50.231%0.31328%0.275SS..BIsolated β-bridgetrans-133.1144.8173.558.80000110.3L45 C47T40-L45 CarbonylContact C-O 3.42Å; T40-L45 VanDerWaalsContact CA-O 3.28Å; T40-L45 WeakPolarHBondContact CA-O 3.26Å; T40-C47 PolarHBondContact N-SG 3.2Å; T40-C47 VanDerWaalsContact N-SG 3.38Å
41S95.4Very high93.1Very high3 Ų350.1 Ų50.12%0.02128%0.276CS..  trans-70.1171.1172.377.70000112Y43 G44 L45 Q131 P132S41-Y43 PolarHBondContact O-N 3.02Å; S41-Y43 VanDerWaalsContact O-N 3.17Å; S41-Y43 PolarHBondContact OG-N 3.3Å; S41-G44 PolarHBondContact O-N 3.34Å; S41-L45 PolarHBondContact N-O 3.45Å; S41-L45 PolarHBondContact OG-N 3.47Å; S41-Q131 PolarHBondContact OG-OE1 3.12Å; S41-P132 CarbonylContact C-O 3.56Å; S41-P132 WeakPolarHBondContact CA-O 3.44Å
42V92.6Very high93.3Very high41 Ų4151 Ų5125%0.24827%0.273CS..THydrogen-bonded Turntrans-58.5-22.8172.2-67.40000113.4G44 P132 F134 L135 F161V42-G44 VanDerWaalsContact C-N 3.35Å; V42-P132 HydrophobicContact CG1-CB 4.45Å; V42-P132 WeakPolarHBondContact CG1-O 3.47Å; V42-P132 HydrophobicContact CG2-CG 3.98Å; V42-P132 PolarHBondContact N-O 3.43Å; V42-F134 VanDerWaalsContact CG1-C 3.45Å; V42-L135 HydrophobicContact CG1-CG 4.42Å; V42-F161 HydrophobicContact CB-CD2 4.48Å; V42-F161 HydrophobicContact CB-CE2 4.21Å; V42-F161 HydrophobicContact CG1-CE2 4Å; V42-F161 HydrophobicContact CG2-CD2 3.93Å; V42-F161 HydrophobicContact CG2-CE2 3.75Å; V42-F161 HydrophobicContact CG2-CZ 4.3Å
43Y90.3Very high93.3Very high111 Ų11150.5 Ų50.544%0.43527%0.27SS..THydrogen-bonded Turntrans-92.64.6177.1-53.8-64.9000112.9S41 L45 F161 Y194S41-Y43 PolarHBondContact O-N 3.02Å; S41-Y43 VanDerWaalsContact O-N 3.17Å; S41-Y43 PolarHBondContact OG-N 3.3Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 2.94Å; Y43-F161 HydrophobicContact CE1-CB 4.17Å; Y43-F161 HydrophobicContact CE1-CG 4.49Å; Y43-F161 WeakPolarHBondContact OH-CB 3.49Å; Y43-F161 WeakPolarHBondContact OH-CD1 2.97Å; Y43-F161 WeakPolarHBondContact OH-CG 3.4Å; Y43-Y194 PolarHBondContact OH-OH 3.09Å
44G93.5Very high93.1Very high53 Ų5344.2 Ų44.255%0.54624%0.241SC..  trans79.19.5179.700000114.6S41 V42S41-G44 PolarHBondContact O-N 3.34Å; V42-G44 VanDerWaalsContact C-N 3.35Å
45L95.7Very high92.9Very high51 Ų5145.6 Ų45.627%0.26725%0.253SS..PPolyproline II helixtrans-75.1137.5175.3-66.8177.4000110.4T40 S41 Y43 V122 E124T40-L45 CarbonylContact C-O 3.42Å; T40-L45 VanDerWaalsContact CA-O 3.28Å; T40-L45 WeakPolarHBondContact CA-O 3.26Å; S41-L45 PolarHBondContact N-O 3.45Å; S41-L45 PolarHBondContact OG-N 3.47Å; Y43-L45 VanDerWaalsContact C-N 3.31Å; Y43-L45 PolarHBondContact O-N 2.94Å; L45-V122 HydrophobicContact CB-CB 3.97Å; L45-V122 HydrophobicContact CB-CG1 3.84Å; L45-V122 HydrophobicContact CB-CG2 4.31Å; L45-V122 HydrophobicContact CD1-CB 4.33Å; L45-V122 HydrophobicContact CD1-CG2 3.85Å; L45-E124 HydrophobicContact CD1-CB 4.42Å
46P97.5Very high92.8Very high92 Ų9243.9 Ų43.960%0.59724%0.242SC*.BIsolated β-bridgetrans-71134-179.329.2-34.3000111
47C98Very high92.4Very high9 Ų943.9 Ų43.96%0.06124%0.242CC..PPolyproline II helixtrans-69.4135.8176.7-62.50000111.4N39 T40 N89 C120 F121N39-C47 HydrophobicContact CB-CB 4.38Å; N39-C47 VanDerWaalsContact O-CB 3.26Å; N39-C47 WeakPolarHBondContact O-CB 3Å; N39-C47 PolarHBondContact O-N 3.31Å; N39-C47 PolarHBondContact O-SG 2.91Å; T40-C47 PolarHBondContact N-SG 3.2Å; T40-C47 VanDerWaalsContact N-SG 3.38Å; C47-N89 HydrophobicContact CB-CB 4.44Å; C47-N89 WeakPolarHBondContact CB-O 3.42Å; C47-C120 VanDerWaalsContact CA-SG 3.59Å; C47-C120 HydrophobicContact CB-CB 3.49Å; C47-C120 VanDerWaalsContact CB-CB 3.49Å; C47-C120 WeakPolarHBondContact CB-SG 3.48Å; C47-C120 WeakPolarHBondContact SG-CB 3.35Å; C47-C120 CovalentContact SG-SG 2.01Å; C47-C120 PolarHBondContact SG-SG 3.14Å; C47-F121 WeakPolarHBondContact CA-O 3.33Å
48L95.9Very high91.8Very high35 Ų3549.1 Ų49.118%0.18326%0.26CS..PPolyproline II helixtrans-71.3154.1171.5-63.3174.9000110.7W50 Y52 V53 F121 I128L48-W50 PolarHBondContact O-N 2.89Å; L48-Y52 HydrophobicContact CD1-CD1 4.47Å; L48-Y52 HydrophobicContact CD2-CD1 4.43Å; L48-Y52 HydrophobicContact CD2-CE1 4.44Å; L48-V53 HydrophobicContact CB-CG2 3.94Å; L48-V53 HydrophobicContact CD1-CG2 4.39Å; L48-F121 WeakPolarHBondContact CB-O 3.48Å; L48-F121 HydrophobicContact CD1-CB 4.4Å; L48-F121 PolarHBondContact N-O 2.83Å; L48-I128 HydrophobicContact CD1-CB 4.47Å; L48-I128 HydrophobicContact CD1-CD1 4.37Å; L48-I128 HydrophobicContact CD1-CG1 4.11Å; L48-I128 HydrophobicContact CD1-CG2 3.7Å
49Q94Very high91.3Very high61 Ų6153 Ų5329%0.28528%0.279SS..PPolyproline II helixtrans-63.5128.3170.2-66.9-69-33.600109.6T51 Y52 V53 H88 N89Q49-T51 PolarHBondContact O-N 3.06Å; Q49-Y52 WeakPolarHBondContact O-CA 3.08Å; Q49-Y52 VanDerWaalsContact O-CB 3.28Å; Q49-Y52 WeakPolarHBondContact O-CB 3.47Å; Q49-Y52 PolarHBondContact O-N 2.95Å; Q49-V53 PolarHBondContact O-N 3.01Å; Q49-H88 CarbonylContact C-O 3.55Å; Q49-H88 WeakPolarHBondContact CA-O 3.45Å; Q49-H88 VanDerWaalsContact OE1-C 3.25Å; Q49-H88 PolarHBondContact OE1-O 3.23Å; Q49-N89 HydrophobicContact CG-CB 4.46Å
50W92.6Very high90.4Very high1 Ų152.6 Ų52.60%0.00429%0.29CS..Hα-helixtrans-59.2-34.5178.8-72.4100.5000112.3L48 Y52 V53 I54 F70 F82 H88 Q90 L92 I94 I119 C120 F121L48-W50 PolarHBondContact O-N 2.89Å; W50-Y52 VanDerWaalsContact C-N 3.29Å; W50-Y52 PolarHBondContact O-N 2.93Å; W50-V53 PolarHBondContact O-N 3.32Å; W50-I54 WeakPolarHBondContact O-CB 2.96Å; W50-I54 WeakPolarHBondContact O-CD1 3.41Å; W50-I54 WeakPolarHBondContact O-CG1 3.47Å; W50-I54 PolarHBondContact O-N 3.21Å; W50-F70 HydrophobicContact CE3-CE1 4.12Å; W50-F70 HydrophobicContact CE3-CZ 4.19Å; W50-F70 HydrophobicContact CZ3-CE1 4.19Å; W50-F70 AromaticContact CZ3-CZ 3.86Å; W50-F70 HydrophobicContact CZ3-CZ 3.86Å; W50-F82 HydrophobicContact CB-CD1 4.08Å; W50-F82 HydrophobicContact CB-CE1 3.32Å; W50-F82 HydrophobicContact CB-CE2 4.1Å; W50-F82 HydrophobicContact CB-CZ 3.33Å; W50-F82 HydrophobicContact CD2-CZ 4.22Å; W50-F82 HydrophobicContact CG-CE1 4.02Å; W50-F82 HydrophobicContact CG-CE2 4.34Å; W50-F82 AromaticContact CG-CZ 3.57Å; W50-F82 HydrophobicContact CG-CZ 3.57Å; W50-H88 AromaticContact CD1-CG 3.92Å; W50-H88 AromaticContact CD1-ND1 3.22Å; W50-H88 PolarHBondContact N-O 3.08Å; W50-H88 AromaticContact NE1-ND1 3.56Å; W50-Q90 PolarHBondContact NE1-O 2.9Å; W50-L92 HydrophobicContact CD2-CD1 3.93Å; W50-L92 HydrophobicContact CG-CD1 4.27Å; W50-L92 HydrophobicContact CH2-CB 4.19Å; W50-L92 HydrophobicContact CH2-CD1 4.46Å; W50-L92 HydrophobicContact CZ2-CB 3.65Å; W50-L92 HydrophobicContact CZ2-CD1 3.89Å; W50-L92 HydrophobicContact CZ2-CG 3.86Å; W50-I94 HydrophobicContact CH2-CD1 3.75Å; W50-I94 HydrophobicContact CH2-CG1 4.33Å; W50-I94 HydrophobicContact CZ3-CD1 3.87Å; W50-I119 HydrophobicContact CH2-CG1 4.29Å; W50-I119 WeakPolarHBondContact CZ2-O 3.04Å; W50-C120 HydrophobicContact CZ2-CB 4.43Å; W50-F121 HydrophobicContact CE3-CD2 4.25Å; W50-F121 HydrophobicContact CH2-CD2 4.06Å; W50-F121 HydrophobicContact CH2-CE2 4.2Å; W50-F121 AromaticContact CZ3-CD2 3.65Å; W50-F121 HydrophobicContact CZ3-CD2 3.65Å; W50-F121 AromaticContact CZ3-CE2 3.67Å; W50-F121 HydrophobicContact CZ3-CE2 3.67Å
51T88.8Confident89.5Confident49 Ų4956 Ų5630%0.30130%0.302SS..Hα-helixtrans-63.4-34.5174.443.50000113Q49 S55 F82 I86Q49-T51 PolarHBondContact O-N 3.06Å; T51-S55 PolarHBondContact O-N 2.7Å; T51-F82 HydrophobicContact CG2-CD1 4.25Å; T51-I86 HydrophobicContact CG2-CG2 3.72Å; T51-I86 WeakPolarHBondContact CG2-O 3.34Å; T51-I86 PolarHBondContact OG1-O 3.42Å
52Y91.2Very high88.5Confident121 Ų12157.5 Ų57.548%0.47531%0.308SS..Hα-helixtrans-69.8-46.4173.2-179.6-111.2000110.7L48 Q49 W50 I54 S55 F56L48-Y52 HydrophobicContact CD1-CD1 4.47Å; L48-Y52 HydrophobicContact CD2-CD1 4.43Å; L48-Y52 HydrophobicContact CD2-CE1 4.44Å; Q49-Y52 WeakPolarHBondContact O-CA 3.08Å; Q49-Y52 VanDerWaalsContact O-CB 3.28Å; Q49-Y52 WeakPolarHBondContact O-CB 3.47Å; Q49-Y52 PolarHBondContact O-N 2.95Å; W50-Y52 VanDerWaalsContact C-N 3.29Å; W50-Y52 PolarHBondContact O-N 2.93Å; Y52-I54 VanDerWaalsContact C-N 3.28Å; Y52-I54 PolarHBondContact O-N 3.18Å; Y52-S55 PolarHBondContact O-N 3.18Å; Y52-S55 VanDerWaalsContact O-N 3.08Å; Y52-S55 PolarHBondContact O-OG 3.37Å; Y52-F56 HydrophobicContact CD1-CD2 4.48Å; Y52-F56 AromaticContact CD1-CE2 3.86Å; Y52-F56 HydrophobicContact CD1-CE2 3.86Å; Y52-F56 AromaticContact CD2-CE2 3.91Å; Y52-F56 HydrophobicContact CD2-CE2 3.91Å; Y52-F56 HydrophobicContact CE1-CD2 4.37Å; Y52-F56 AromaticContact CE1-CE2 3.43Å; Y52-F56 HydrophobicContact CE1-CE2 3.43Å; Y52-F56 VanDerWaalsContact CE1-CE2 3.43Å; Y52-F56 HydrophobicContact CE1-CZ 4.08Å; Y52-F56 AromaticContact CE2-CE2 3.49Å; Y52-F56 HydrophobicContact CE2-CE2 3.49Å; Y52-F56 VanDerWaalsContact CE2-CE2 3.49Å; Y52-F56 AromaticContact CE2-CZ 3.93Å; Y52-F56 HydrophobicContact CE2-CZ 3.93Å; Y52-F56 HydrophobicContact CG-CE2 4.09Å; Y52-F56 AromaticContact CZ-CE2 3.24Å; Y52-F56 AromaticContact CZ-CZ 3.56Å; Y52-F56 VanDerWaalsContact O-CD2 3.23Å; Y52-F56 WeakPolarHBondContact O-CD2 2.96Å; Y52-F56 WeakPolarHBondContact OH-CZ 3.36Å
53V90.6Very high87.3Confident0 Ų060.7 Ų60.70%032%0.324CS..Hα-helixtrans-57.1-43.7175.7179.70000111.4L48 Q49 W50 S55 F56 L57 F62 F121L48-V53 HydrophobicContact CB-CG2 3.94Å; L48-V53 HydrophobicContact CD1-CG2 4.39Å; Q49-V53 PolarHBondContact O-N 3.01Å; W50-V53 PolarHBondContact O-N 3.32Å; V53-S55 VanDerWaalsContact C-N 3.26Å; V53-S55 PolarHBondContact O-N 3.19Å; V53-F56 PolarHBondContact O-N 2.81Å; V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 PolarHBondContact O-N 2.85Å; V53-F62 HydrophobicContact CG1-CE1 4.15Å; V53-F62 HydrophobicContact CG1-CZ 3.79Å; V53-F121 HydrophobicContact CB-CD2 4.47Å; V53-F121 HydrophobicContact CG1-CB 4.31Å; V53-F121 HydrophobicContact CG1-CD1 4.26Å; V53-F121 HydrophobicContact CG1-CD2 3.67Å; V53-F121 HydrophobicContact CG1-CE2 4.01Å; V53-F121 HydrophobicContact CG1-CG 3.79Å; V53-F121 HydrophobicContact CG1-CZ 4.43Å; V53-F121 HydrophobicContact CG2-CB 3.61Å; V53-F121 HydrophobicContact CG2-CD2 4.18Å; V53-F121 HydrophobicContact CG2-CG 4.01Å
54I87.8Confident86.3Confident13 Ų1363 Ų637%0.06733%0.333CS..Hα-helixtrans-64.2-28.5179.4-70.9166.9000112.4W50 Y52 L57 K58 F70 F82W50-I54 WeakPolarHBondContact O-CB 2.96Å; W50-I54 WeakPolarHBondContact O-CD1 3.41Å; W50-I54 WeakPolarHBondContact O-CG1 3.47Å; W50-I54 PolarHBondContact O-N 3.21Å; Y52-I54 VanDerWaalsContact C-N 3.28Å; Y52-I54 PolarHBondContact O-N 3.18Å; I54-L57 HydrophobicContact CG1-CD1 4.41Å; I54-L57 PolarHBondContact O-N 3.46Å; I54-K58 HydrophobicContact CG2-CD 4.34Å; I54-K58 WeakPolarHBondContact O-CG 3.5Å; I54-K58 PolarHBondContact O-N 2.85Å; I54-K58 VanDerWaalsContact O-N 3.17Å; I54-F70 HydrophobicContact CD1-CD1 4.05Å; I54-F70 HydrophobicContact CD1-CE1 4.33Å; I54-F70 HydrophobicContact CG1-CD1 3.77Å; I54-F70 HydrophobicContact CG1-CE1 4.1Å; I54-F82 HydrophobicContact CD1-CB 3.3Å; I54-F82 HydrophobicContact CD1-CD1 3.96Å; I54-F82 HydrophobicContact CD1-CD2 3.46Å; I54-F82 VanDerWaalsContact CD1-CD2 3.46Å; I54-F82 HydrophobicContact CD1-CE2 4.26Å; I54-F82 HydrophobicContact CD1-CG 3.28Å
55S87.6Confident85.4Confident43 Ų4361.9 Ų61.930%0.30131%0.314SS..Hα-helixtrans-67-42175.167.40000111.7T51 Y52 V53 L57 K58 E59T51-S55 PolarHBondContact O-N 2.7Å; Y52-S55 PolarHBondContact O-N 3.18Å; Y52-S55 VanDerWaalsContact O-N 3.08Å; Y52-S55 PolarHBondContact O-OG 3.37Å; V53-S55 VanDerWaalsContact C-N 3.26Å; V53-S55 PolarHBondContact O-N 3.19Å; S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.11Å; S55-K58 PolarHBondContact O-N 2.79Å; S55-E59 WeakPolarHBondContact O-CG 3.21Å; S55-E59 PolarHBondContact O-N 3.05Å; S55-E59 VanDerWaalsContact O-N 3.14Å
56F86.3Confident84.8Confident35 Ų3559.7 Ų59.715%0.15430%0.302CS..Hα-helixtrans-64.5-37.4175.2-71.1-85.2000113.1Y52 V53 K58 E59 G60 Q61 F62 I128Y52-F56 HydrophobicContact CD1-CD2 4.48Å; Y52-F56 AromaticContact CD1-CE2 3.86Å; Y52-F56 HydrophobicContact CD1-CE2 3.86Å; Y52-F56 AromaticContact CD2-CE2 3.91Å; Y52-F56 HydrophobicContact CD2-CE2 3.91Å; Y52-F56 HydrophobicContact CE1-CD2 4.37Å; Y52-F56 AromaticContact CE1-CE2 3.43Å; Y52-F56 HydrophobicContact CE1-CE2 3.43Å; Y52-F56 VanDerWaalsContact CE1-CE2 3.43Å; Y52-F56 HydrophobicContact CE1-CZ 4.08Å; Y52-F56 AromaticContact CE2-CE2 3.49Å; Y52-F56 HydrophobicContact CE2-CE2 3.49Å; Y52-F56 VanDerWaalsContact CE2-CE2 3.49Å; Y52-F56 AromaticContact CE2-CZ 3.93Å; Y52-F56 HydrophobicContact CE2-CZ 3.93Å; Y52-F56 HydrophobicContact CG-CE2 4.09Å; Y52-F56 AromaticContact CZ-CE2 3.24Å; Y52-F56 AromaticContact CZ-CZ 3.56Å; Y52-F56 VanDerWaalsContact O-CD2 3.23Å; Y52-F56 WeakPolarHBondContact O-CD2 2.96Å; Y52-F56 WeakPolarHBondContact OH-CZ 3.36Å; V53-F56 PolarHBondContact O-N 2.81Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 2.88Å; F56-E59 PolarHBondContact O-N 2.66Å; F56-G60 PolarHBondContact O-N 3.21Å; F56-Q61 HydrophobicContact CB-CB 4.33Å; F56-Q61 HydrophobicContact CD1-CB 4.41Å; F56-Q61 HydrophobicContact CD1-CG 4.44Å; F56-Q61 PolarHBondContact O-N 3.16Å; F56-F62 HydrophobicContact CB-CD2 3.81Å; F56-F62 HydrophobicContact CB-CE2 3.49Å; F56-F62 VanDerWaalsContact CB-CE2 3.49Å; F56-F62 HydrophobicContact CG-CE2 4.37Å; F56-I128 HydrophobicContact CD1-CD1 4.24Å; F56-I128 HydrophobicContact CD2-CD1 3.61Å; F56-I128 HydrophobicContact CE1-CD1 4.32Å; F56-I128 HydrophobicContact CE2-CD1 3.75Å; F56-I128 HydrophobicContact CG-CD1 3.9Å; F56-I128 HydrophobicContact CZ-CD1 4.09Å
57L83Confident83.9Confident3 Ų360.2 Ų60.22%0.01630%0.295CS..Hα-helixtrans-59-46175.3-81.3154000111.6V53 I54 S55 E59 G60 F62 W66 F70V53-L57 HydrophobicContact CG1-CD1 4.05Å; V53-L57 PolarHBondContact O-N 2.85Å; I54-L57 HydrophobicContact CG1-CD1 4.41Å; I54-L57 PolarHBondContact O-N 3.46Å; S55-L57 VanDerWaalsContact C-N 3.34Å; S55-L57 PolarHBondContact O-N 3.11Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 2.85Å; L57-G60 PolarHBondContact O-N 2.79Å; L57-F62 HydrophobicContact CD2-CB 3.31Å; L57-F62 HydrophobicContact CD2-CD1 3.72Å; L57-F62 HydrophobicContact CD2-CD2 4.22Å; L57-F62 HydrophobicContact CD2-CG 3.49Å; L57-F62 VanDerWaalsContact CD2-CG 3.49Å; L57-F62 HydrophobicContact CG-CB 3.97Å; L57-F62 HydrophobicContact CG-CD1 3.99Å; L57-F62 HydrophobicContact CG-CD2 3.93Å; L57-F62 HydrophobicContact CG-CE1 4.46Å; L57-F62 HydrophobicContact CG-CE2 4.44Å; L57-F62 HydrophobicContact CG-CG 3.69Å; L57-W66 HydrophobicContact CD2-CB 3.49Å; L57-W66 VanDerWaalsContact CD2-CB 3.49Å; L57-F70 HydrophobicContact CD1-CB 4.01Å; L57-F70 HydrophobicContact CD1-CD1 4.12Å; L57-F70 HydrophobicContact CD1-CD2 3.2Å; L57-F70 HydrophobicContact CD1-CE1 4.41Å; L57-F70 HydrophobicContact CD1-CE2 3.56Å; L57-F70 HydrophobicContact CD1-CG 3.52Å; L57-F70 HydrophobicContact CD1-CZ 4.16Å; L57-F70 HydrophobicContact CD2-CD2 3.99Å; L57-F70 HydrophobicContact CG-CD2 4.24Å
58K80.1Confident83.1Confident151 Ų15162 Ų6266%0.65730%0.3SS*.Hα-helixtrans-65.5-29.7177.8-72.1175.3179.5177.10113I54 S55 F56 G60I54-K58 HydrophobicContact CG2-CD 4.34Å; I54-K58 WeakPolarHBondContact O-CG 3.5Å; I54-K58 PolarHBondContact O-N 2.85Å; I54-K58 VanDerWaalsContact O-N 3.17Å; S55-K58 PolarHBondContact O-N 2.79Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 2.88Å; K58-G60 PolarHBondContact O-N 3.43Å
59E83Confident82.6Confident127 Ų12760.4 Ų60.459%0.59329%0.292SS*.THydrogen-bonded Turntrans-77.4-2.7173.8-69.7173.1-16200113.1S55 F56 L57 Q61S55-E59 WeakPolarHBondContact O-CG 3.21Å; S55-E59 PolarHBondContact O-N 3.05Å; S55-E59 VanDerWaalsContact O-N 3.14Å; F56-E59 PolarHBondContact O-N 2.66Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 2.85Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 HydrophobicContact CB-CG 4.03Å; E59-Q61 PolarHBondContact OE2-NE2 2.93Å
60G76.9Confident82.2Confident55 Ų5558 Ų5857%0.56728%0.28SS*.THydrogen-bonded Turntrans76.219.617900000113.9F56 L57 K58 F62F56-G60 PolarHBondContact O-N 3.21Å; L57-G60 PolarHBondContact O-N 2.79Å; K58-G60 PolarHBondContact O-N 3.43Å; G60-F62 VanDerWaalsContact C-N 3.27Å; G60-F62 PolarHBondContact O-N 3.1Å
61Q77.8Confident81.7Confident122 Ų12262 Ų6257%0.5730%0.299SS*.  trans-85.33-178.2-56.6-160.630.600113.8F56 E59F56-Q61 HydrophobicContact CB-CB 4.33Å; F56-Q61 HydrophobicContact CD1-CB 4.41Å; F56-Q61 HydrophobicContact CD1-CG 4.44Å; F56-Q61 PolarHBondContact O-N 3.16Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 HydrophobicContact CB-CG 4.03Å; E59-Q61 PolarHBondContact OE2-NE2 2.93Å
62F74.3Confident81.5Confident34 Ų3461.8 Ų61.815%0.14930%0.296CS..SBendtrans-114.8154.2-177.9-90.5-112.4000111.5V53 F56 L57 G60 W66 F121 I128V53-F62 HydrophobicContact CG1-CE1 4.15Å; V53-F62 HydrophobicContact CG1-CZ 3.79Å; F56-F62 HydrophobicContact CB-CD2 3.81Å; F56-F62 HydrophobicContact CB-CE2 3.49Å; F56-F62 VanDerWaalsContact CB-CE2 3.49Å; F56-F62 HydrophobicContact CG-CE2 4.37Å; L57-F62 HydrophobicContact CD2-CB 3.31Å; L57-F62 HydrophobicContact CD2-CD1 3.72Å; L57-F62 HydrophobicContact CD2-CD2 4.22Å; L57-F62 HydrophobicContact CD2-CG 3.49Å; L57-F62 VanDerWaalsContact CD2-CG 3.49Å; L57-F62 HydrophobicContact CG-CB 3.97Å; L57-F62 HydrophobicContact CG-CD1 3.99Å; L57-F62 HydrophobicContact CG-CD2 3.93Å; L57-F62 HydrophobicContact CG-CE1 4.46Å; L57-F62 HydrophobicContact CG-CE2 4.44Å; L57-F62 HydrophobicContact CG-CG 3.69Å; G60-F62 VanDerWaalsContact C-N 3.27Å; G60-F62 PolarHBondContact O-N 3.1Å; F62-W66 HydrophobicContact CB-CB 4.48Å; F62-W66 HydrophobicContact CD1-CB 4.1Å; F62-W66 AromaticContact CD1-CD1 3.94Å; F62-W66 HydrophobicContact CD1-CG 4.13Å; F62-F121 HydrophobicContact CD1-CE1 4.45Å; F62-F121 AromaticContact CE1-CD1 3.95Å; F62-F121 HydrophobicContact CE1-CD1 3.95Å; F62-F121 AromaticContact CE1-CE1 3.5Å; F62-F121 HydrophobicContact CE1-CE1 3.5Å; F62-F121 VanDerWaalsContact CE1-CE1 3.5Å; F62-F121 HydrophobicContact CE1-CZ 4.05Å; F62-F121 HydrophobicContact CZ-CD1 4.29Å; F62-F121 HydrophobicContact CZ-CE1 4.27Å; F62-I128 HydrophobicContact CE1-CG2 4.42Å; F62-I128 HydrophobicContact CE2-CB 4.38Å; F62-I128 HydrophobicContact CE2-CD1 4.45Å; F62-I128 HydrophobicContact CE2-CG2 4.37Å; F62-I128 HydrophobicContact CZ-CB 3.95Å; F62-I128 HydrophobicContact CZ-CG2 3.57Å
63N68.7Low81.3Confident108 Ų10859.8 Ų59.858%0.57830%0.297SS*.  trans-54.8145.8172.7-70.9-8.8000111.1Q65 W66N63-Q65 HydrophobicContact CB-CG 3.91Å; N63-Q65 PolarHBondContact O-N 3.34Å; N63-W66 PolarHBondContact O-N 3.02Å
64Y69.9Low80.9Confident160 Ų16069 Ų6963%0.62733%0.332SS*.Hα-helixtrans-51.9-29.2-176.878.5-89.9000113.4W66 K67 G109Y64-W66 PolarHBondContact O-N 3.06Å; Y64-K67 WeakPolarHBondContact O-CB 3.47Å; Y64-K67 PolarHBondContact O-N 3.15Å; Y64-G109 WeakPolarHBondContact OH-CA 3.48Å
65Q73.1Confident80.7Confident29 Ų2969 Ų6914%0.13633%0.334CS..Hα-helixtrans-60-40.9179.167-162.826.200113.6N63 K67 W68 G109 D111N63-Q65 HydrophobicContact CB-CG 3.91Å; N63-Q65 PolarHBondContact O-N 3.34Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-W68 PolarHBondContact O-NE1 2.97Å; Q65-G109 WeakPolarHBondContact CB-O 3.4Å; Q65-G109 PolarHBondContact OE1-O 2.92Å; Q65-D111 PolarHBondContact NE2-OD2 3.46Å
66W82.7Confident80.7Confident6 Ų667 Ų672%0.02332%0.32CS..Hα-helixtrans-77.1-29.7-178.9-70113.3000110.9L57 F62 N63 Y64 W68 I69 F70 I94 D111 V113 I114 I119 F121 P130L57-W66 HydrophobicContact CD2-CB 3.49Å; L57-W66 VanDerWaalsContact CD2-CB 3.49Å; F62-W66 HydrophobicContact CB-CB 4.48Å; F62-W66 HydrophobicContact CD1-CB 4.1Å; F62-W66 AromaticContact CD1-CD1 3.94Å; F62-W66 HydrophobicContact CD1-CG 4.13Å; N63-W66 PolarHBondContact O-N 3.02Å; Y64-W66 PolarHBondContact O-N 3.06Å; W66-W68 PolarHBondContact O-N 3.07Å; W66-I69 HydrophobicContact CE3-CD1 3.99Å; W66-I69 HydrophobicContact CZ3-CD1 4.13Å; W66-I69 PolarHBondContact O-N 2.82Å; W66-F70 HydrophobicContact CB-CD2 4.19Å; W66-F70 HydrophobicContact CB-CE2 4.27Å; W66-F70 HydrophobicContact CD2-CE2 4.27Å; W66-F70 HydrophobicContact CE3-CD2 4.27Å; W66-F70 AromaticContact CE3-CE2 3.52Å; W66-F70 HydrophobicContact CE3-CE2 3.52Å; W66-F70 HydrophobicContact CE3-CZ 4.38Å; W66-F70 HydrophobicContact CZ3-CE2 4.18Å; W66-F70 WeakPolarHBondContact O-CD2 3.17Å; W66-F70 PolarHBondContact O-N 3.29Å; W66-I94 HydrophobicContact CZ3-CG2 4.45Å; W66-D111 HydrophobicContact CH2-CB 4.2Å; W66-D111 HydrophobicContact CZ2-CB 3.47Å; W66-D111 VanDerWaalsContact CZ2-CB 3.47Å; W66-D111 WeakPolarHBondContact CZ2-OD2 3.28Å; W66-D111 PolarHBondContact NE1-OD2 3.01Å; W66-V113 HydrophobicContact CH2-CG1 4.18Å; W66-V113 HydrophobicContact CZ2-CG1 3.94Å; W66-I114 HydrophobicContact CH2-CG2 3.51Å; W66-I114 HydrophobicContact CZ2-CG2 4.41Å; W66-I114 HydrophobicContact CZ3-CG2 4.05Å; W66-I119 HydrophobicContact CH2-CD1 3.71Å; W66-I119 HydrophobicContact CZ3-CD1 4.42Å; W66-F121 AromaticContact CD2-CZ 3.91Å; W66-F121 HydrophobicContact CD2-CZ 3.91Å; W66-F121 AromaticContact CE2-CZ 3.81Å; W66-F121 HydrophobicContact CE3-CZ 4.09Å; W66-F121 HydrophobicContact CH2-CZ 4.05Å; W66-F121 HydrophobicContact CZ2-CE1 4.47Å; W66-F121 AromaticContact CZ2-CZ 3.92Å; W66-F121 HydrophobicContact CZ2-CZ 3.92Å; W66-F121 HydrophobicContact CZ3-CZ 4.14Å; W66-P130 HydrophobicContact CH2-CB 4.33Å; W66-P130 HydrophobicContact CZ2-CB 3.83Å; W66-P130 HydrophobicContact CZ2-CG 3.71Å
67K79.9Confident80.9Confident102 Ų10267.4 Ų67.444%0.44333%0.329SS..Hα-helixtrans-54.3-51.2-177.9-169176.3-179.4172.90112.6Y64 Q65 I69 F70 E71Y64-K67 WeakPolarHBondContact O-CB 3.47Å; Y64-K67 PolarHBondContact O-N 3.15Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; K67-I69 PolarHBondContact O-N 3.47Å; K67-F70 PolarHBondContact O-N 2.92Å; K67-E71 WeakPolarHBondContact CE-OE2 3.33Å; K67-E71 VanDerWaalsContact CG-CD 3.42Å; K67-E71 HydrophobicContact CG-CG 4.25Å; K67-E71 VanDerWaalsContact CG-OE2 3.28Å; K67-E71 WeakPolarHBondContact CG-OE2 3.44Å; K67-E71 VanDerWaalsContact O-CB 3.22Å; K67-E71 WeakPolarHBondContact O-CB 3.4Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 2.96Å
68W80.5Confident81.1Confident47 Ų4767.2 Ų67.218%0.17833%0.328CS..Hα-helixtrans-68.7-34.4-177.569.8-96.1000112.6Q65 W66 F70 D72 A75 L98 F107 M110Q65-W68 PolarHBondContact O-NE1 2.97Å; W66-W68 PolarHBondContact O-N 3.07Å; W68-F70 VanDerWaalsContact C-N 3.32Å; W68-F70 PolarHBondContact O-N 2.71Å; W68-D72 WeakPolarHBondContact O-CB 3.1Å; W68-D72 PolarHBondContact O-N 2.73Å; W68-A75 HydrophobicContact CE3-CB 3.61Å; W68-A75 HydrophobicContact CZ3-CB 3.75Å; W68-L98 HydrophobicContact CH2-CD2 4.25Å; W68-L98 HydrophobicContact CZ3-CD2 4.21Å; W68-F107 HydrophobicContact CH2-CB 3.61Å; W68-F107 AromaticContact CH2-CD1 3.61Å; W68-F107 HydrophobicContact CH2-CD1 3.61Å; W68-F107 AromaticContact CH2-CD2 3.81Å; W68-F107 HydrophobicContact CH2-CD2 3.81Å; W68-F107 HydrophobicContact CH2-CE1 4.22Å; W68-F107 HydrophobicContact CH2-CE2 4.42Å; W68-F107 AromaticContact CH2-CG 3.39Å; W68-F107 HydrophobicContact CH2-CG 3.39Å; W68-F107 HydrophobicContact CZ2-CB 3.55Å; W68-F107 HydrophobicContact CZ2-CD1 4.21Å; W68-F107 AromaticContact CZ2-CG 3.89Å; W68-F107 HydrophobicContact CZ2-CG 3.89Å; W68-F107 AromaticContact CZ3-CD1 3.82Å; W68-F107 HydrophobicContact CZ3-CD1 3.82Å; W68-F107 HydrophobicContact CZ3-CE1 4.07Å; W68-F107 HydrophobicContact CZ3-CG 4.07Å; W68-M110 HydrophobicContact CH2-CE 3.94Å; W68-M110 HydrophobicContact CZ2-CE 4.13Å
69I85Confident81.5Confident1 Ų161.3 Ų61.31%0.00531%0.305CS..Hα-helixtrans-61.6-41.6175.7-67.1175.4000110.6W66 K67 S76 L78 I94 L98W66-I69 HydrophobicContact CE3-CD1 3.99Å; W66-I69 HydrophobicContact CZ3-CD1 4.13Å; W66-I69 PolarHBondContact O-N 2.82Å; K67-I69 PolarHBondContact O-N 3.47Å; I69-S76 WeakPolarHBondContact O-CB 3.44Å; I69-S76 PolarHBondContact O-OG 2.81Å; I69-L78 HydrophobicContact CG2-CD1 3.4Å; I69-I94 HydrophobicContact CG2-CG2 3.85Å; I69-L98 HydrophobicContact CG1-CD2 4.44Å; I69-L98 HydrophobicContact CG2-CD2 4.47Å
70F85.7Confident81.7Confident11 Ų1162.2 Ų62.25%0.04831%0.309CS..Hα-helixtrans-91.9-15.4-176.1-72.1-77.7000115.1W50 I54 L57 W66 K67 W68 L78 P79 F121W50-F70 HydrophobicContact CE3-CE1 4.12Å; W50-F70 HydrophobicContact CE3-CZ 4.19Å; W50-F70 HydrophobicContact CZ3-CE1 4.19Å; W50-F70 AromaticContact CZ3-CZ 3.86Å; W50-F70 HydrophobicContact CZ3-CZ 3.86Å; I54-F70 HydrophobicContact CD1-CD1 4.05Å; I54-F70 HydrophobicContact CD1-CE1 4.33Å; I54-F70 HydrophobicContact CG1-CD1 3.77Å; I54-F70 HydrophobicContact CG1-CE1 4.1Å; L57-F70 HydrophobicContact CD1-CB 4.01Å; L57-F70 HydrophobicContact CD1-CD1 4.12Å; L57-F70 HydrophobicContact CD1-CD2 3.2Å; L57-F70 HydrophobicContact CD1-CE1 4.41Å; L57-F70 HydrophobicContact CD1-CE2 3.56Å; L57-F70 HydrophobicContact CD1-CG 3.52Å; L57-F70 HydrophobicContact CD1-CZ 4.16Å; L57-F70 HydrophobicContact CD2-CD2 3.99Å; L57-F70 HydrophobicContact CG-CD2 4.24Å; W66-F70 HydrophobicContact CB-CD2 4.19Å; W66-F70 HydrophobicContact CB-CE2 4.27Å; W66-F70 HydrophobicContact CD2-CE2 4.27Å; W66-F70 HydrophobicContact CE3-CD2 4.27Å; W66-F70 AromaticContact CE3-CE2 3.52Å; W66-F70 HydrophobicContact CE3-CE2 3.52Å; W66-F70 HydrophobicContact CE3-CZ 4.38Å; W66-F70 HydrophobicContact CZ3-CE2 4.18Å; W66-F70 WeakPolarHBondContact O-CD2 3.17Å; W66-F70 PolarHBondContact O-N 3.29Å; K67-F70 PolarHBondContact O-N 2.92Å; W68-F70 VanDerWaalsContact C-N 3.32Å; W68-F70 PolarHBondContact O-N 2.71Å; F70-L78 HydrophobicContact CD1-CB 4.21Å; F70-L78 HydrophobicContact CD1-CD1 4.15Å; F70-L78 HydrophobicContact CE1-CD1 3.94Å; F70-L78 HydrophobicContact CE1-CD2 4.24Å; F70-L78 HydrophobicContact CZ-CD1 4.4Å; F70-P79 WeakPolarHBondContact O-CB 3.46Å; F70-P79 VanDerWaalsContact O-CG 3.29Å; F70-P79 WeakPolarHBondContact O-CG 3.23Å; F70-F121 HydrophobicContact CE2-CE2 4.35Å; F70-F121 HydrophobicContact CZ-CE2 4.09Å
71E83.5Confident82.2Confident85 Ų8561.8 Ų61.840%0.39729%0.293SS..Hα-helixtrans-113.1-33.2-176.3-62.8-179179.900113.9K67 T73K67-E71 WeakPolarHBondContact CE-OE2 3.33Å; K67-E71 VanDerWaalsContact CG-CD 3.42Å; K67-E71 HydrophobicContact CG-CG 4.25Å; K67-E71 VanDerWaalsContact CG-OE2 3.28Å; K67-E71 WeakPolarHBondContact CG-OE2 3.44Å; K67-E71 VanDerWaalsContact O-CB 3.22Å; K67-E71 WeakPolarHBondContact O-CB 3.4Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 2.96Å; E71-T73 PolarHBondContact O-N 2.98Å
72D84.8Confident82.7Confident44 Ų4456.6 Ų56.624%0.23527%0.269CS..  trans-86.2100-176.3-164.1-22.1000111.6W68 R74 A75 S76W68-D72 WeakPolarHBondContact O-CB 3.1Å; W68-D72 PolarHBondContact O-N 2.73Å; D72-R74 PolarHBondContact O-N 3.27Å; D72-R74 WeakPolarHBondContact OD1-CA 3.4Å; D72-R74 WeakPolarHBondContact OD1-CB 3.26Å; D72-R74 WeakPolarHBondContact OD1-CG 2.9Å; D72-R74 IonicContact OD1-CZ 3.55Å; D72-R74 PolarHBondContact OD1-N 2.77Å; D72-R74 IonicContact OD1-NE 3.43Å; D72-R74 PolarHBondContact OD1-NE 3.44Å; D72-R74 VanDerWaalsContact OD1-NE 3.1Å; D72-R74 IonicContact OD1-NH2 2.79Å; D72-R74 IonicContact OD2-CZ 3.93Å; D72-R74 IonicContact OD2-NE 3.24Å; D72-R74 PolarHBondContact OD2-NE 2.91Å; D72-R74 IonicContact OD2-NH2 3.87Å; D72-R74 PolarHBondContact OD2-NH2 2.01Å; D72-A75 HydrophobicContact CB-CB 3.99Å; D72-A75 PolarHBondContact O-N 3.48Å; D72-S76 PolarHBondContact O-N 3.31Å
73T85.4Confident83.2Confident79 Ų7958.6 Ų58.649%0.48529%0.287SS..THydrogen-bonded Turntrans-59.4-14.517555.90000114.7E71 P79 K99E71-T73 PolarHBondContact O-N 2.98Å; T73-P79 HydrophobicContact CG2-CB 3.81Å; T73-P79 HydrophobicContact CG2-CG 4Å; T73-K99 VanDerWaalsContact O-CE 3.28Å; T73-K99 WeakPolarHBondContact O-CE 3.28Å; T73-K99 PolarHBondContact O-NZ 2.88Å
74R83.7Confident83.9Confident195 Ų19558.3 Ų58.374%0.73628%0.281SS*.THydrogen-bonded Turntrans-85.9-23.1173.7-55.5170-63171.56.3111.9D72 K99D72-R74 PolarHBondContact O-N 3.27Å; D72-R74 WeakPolarHBondContact OD1-CA 3.4Å; D72-R74 WeakPolarHBondContact OD1-CB 3.26Å; D72-R74 WeakPolarHBondContact OD1-CG 2.9Å; D72-R74 IonicContact OD1-CZ 3.55Å; D72-R74 PolarHBondContact OD1-N 2.77Å; D72-R74 IonicContact OD1-NE 3.43Å; D72-R74 PolarHBondContact OD1-NE 3.44Å; D72-R74 VanDerWaalsContact OD1-NE 3.1Å; D72-R74 IonicContact OD1-NH2 2.79Å; D72-R74 IonicContact OD2-CZ 3.93Å; D72-R74 IonicContact OD2-NE 3.24Å; D72-R74 PolarHBondContact OD2-NE 2.91Å; D72-R74 IonicContact OD2-NH2 3.87Å; D72-R74 PolarHBondContact OD2-NH2 2.01Å; R74-K99 WeakPolarHBondContact O-CD 3.06Å
75A83.1Confident84.6Confident13 Ų1354 Ų5411%0.10727%0.273CS..THydrogen-bonded Turntrans-95.3-35.8-178.600000112.4W68 D72 K99W68-A75 HydrophobicContact CE3-CB 3.61Å; W68-A75 HydrophobicContact CZ3-CB 3.75Å; D72-A75 HydrophobicContact CB-CB 3.99Å; D72-A75 PolarHBondContact O-N 3.48Å; A75-K99 PolarHBondContact O-N 2.88Å
76S88Confident85.2Confident1 Ų152.8 Ų52.81%0.00727%0.267CS..BIsolated β-bridgetrans-139.3155.6-176.7-176.20000113.7I69 D72 L78 P79 L97I69-S76 WeakPolarHBondContact O-CB 3.44Å; I69-S76 PolarHBondContact O-OG 2.81Å; D72-S76 PolarHBondContact O-N 3.31Å; S76-L78 WeakPolarHBondContact OG-CB 3.47Å; S76-L78 WeakPolarHBondContact OG-CG 3.28Å; S76-L78 PolarHBondContact OG-N 2.97Å; S76-L78 VanDerWaalsContact OG-N 3.07Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; S76-L97 WeakPolarHBondContact CA-O 3.29Å; S76-L97 PolarHBondContact OG-O 3.38Å
77A89.1Confident85.5Confident42 Ų4257.3 Ų57.335%0.34729%0.288SS..SBendtrans-78.5-15.6168.400000113.7P79 H80 L81 L97A77-P79 VanDerWaalsContact C-CD 3.48Å; A77-H80 PolarHBondContact O-N 3.06Å; A77-H80 VanDerWaalsContact O-N 3.11Å; A77-L81 PolarHBondContact O-N 3.21Å; A77-L97 PolarHBondContact N-O 3.22Å
78L89.1Confident86Confident0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-54.9-45.6-176.8-75.3163000114.9I69 F70 S76 H80 L81 F82 L92 I94 L97I69-L78 HydrophobicContact CG2-CD1 3.4Å; F70-L78 HydrophobicContact CD1-CB 4.21Å; F70-L78 HydrophobicContact CD1-CD1 4.15Å; F70-L78 HydrophobicContact CE1-CD1 3.94Å; F70-L78 HydrophobicContact CE1-CD2 4.24Å; F70-L78 HydrophobicContact CZ-CD1 4.4Å; S76-L78 WeakPolarHBondContact OG-CB 3.47Å; S76-L78 WeakPolarHBondContact OG-CG 3.28Å; S76-L78 PolarHBondContact OG-N 2.97Å; S76-L78 VanDerWaalsContact OG-N 3.07Å; L78-H80 PolarHBondContact O-N 2.86Å; L78-L81 PolarHBondContact O-N 3.21Å; L78-F82 HydrophobicContact CD2-CD2 3.91Å; L78-F82 HydrophobicContact CD2-CE2 3.51Å; L78-F82 WeakPolarHBondContact O-CD2 3.08Å; L78-F82 PolarHBondContact O-N 3.45Å; L78-L92 HydrophobicContact CD2-CD1 4.4Å; L78-I94 HydrophobicContact CD1-CD1 3.77Å; L78-I94 HydrophobicContact CD1-CG2 4.12Å; L78-I94 HydrophobicContact CD2-CD1 4.12Å; L78-L97 HydrophobicContact CD2-CD1 3.55Å; L78-L97 HydrophobicContact CG-CB 4.23Å; L78-L97 HydrophobicContact CG-CD1 3.95Å
79P87.3Confident86.6Confident27 Ų2752.3 Ų52.318%0.17527%0.27CS..Hα-helixtrans-60.9-33179.7-9.415.8000112F70 T73 S76 A77 S83F70-P79 WeakPolarHBondContact O-CB 3.46Å; F70-P79 VanDerWaalsContact O-CG 3.29Å; F70-P79 WeakPolarHBondContact O-CG 3.23Å; T73-P79 HydrophobicContact CG2-CB 3.81Å; T73-P79 HydrophobicContact CG2-CG 4Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; A77-P79 VanDerWaalsContact C-CD 3.48Å; P79-S83 WeakPolarHBondContact O-CB 3.13Å; P79-S83 PolarHBondContact O-N 2.83Å
80H87.3Confident87.1Confident145 Ų14553.2 Ų53.267%0.67127%0.273SS*.Hα-helixtrans-75.2-44.8176.6-173.565.3000111.7A77 L78 F82 S83A77-H80 PolarHBondContact O-N 3.06Å; A77-H80 VanDerWaalsContact O-N 3.11Å; L78-H80 PolarHBondContact O-N 2.86Å; H80-F82 VanDerWaalsContact C-N 3.27Å; H80-F82 PolarHBondContact O-N 3.48Å; H80-S83 VanDerWaalsContact O-CB 3.29Å; H80-S83 WeakPolarHBondContact O-CB 2.88Å; H80-S83 PolarHBondContact O-N 3.19Å; H80-S83 PolarHBondContact O-OG 3.4Å
81L87.5Confident87.6Confident46 Ų4652.7 Ų52.724%0.24127%0.272CS..Hα-helixtrans-54.8-45.7178.7-175.661.1000111.4M1 R9 A77 L78M1-L81 HydrophobicContact CE-CD1 3.98Å; R9-L81 PolarHBondContact NH2-O 2.01Å; A77-L81 PolarHBondContact O-N 3.21Å; L78-L81 PolarHBondContact O-N 3.21Å
82F87.7Confident88.2Confident14 Ų1449.4 Ų49.46%0.06126%0.257CS..THydrogen-bonded Turntrans-96.615-177.7-65.8-70.5000114.6W50 T51 I54 L78 H80 K84 I86 H88 L92W50-F82 HydrophobicContact CB-CD1 4.08Å; W50-F82 HydrophobicContact CB-CE1 3.32Å; W50-F82 HydrophobicContact CB-CE2 4.1Å; W50-F82 HydrophobicContact CB-CZ 3.33Å; W50-F82 HydrophobicContact CD2-CZ 4.22Å; W50-F82 HydrophobicContact CG-CE1 4.02Å; W50-F82 HydrophobicContact CG-CE2 4.34Å; W50-F82 AromaticContact CG-CZ 3.57Å; W50-F82 HydrophobicContact CG-CZ 3.57Å; T51-F82 HydrophobicContact CG2-CD1 4.25Å; I54-F82 HydrophobicContact CD1-CB 3.3Å; I54-F82 HydrophobicContact CD1-CD1 3.96Å; I54-F82 HydrophobicContact CD1-CD2 3.46Å; I54-F82 VanDerWaalsContact CD1-CD2 3.46Å; I54-F82 HydrophobicContact CD1-CE2 4.26Å; I54-F82 HydrophobicContact CD1-CG 3.28Å; L78-F82 HydrophobicContact CD2-CD2 3.91Å; L78-F82 HydrophobicContact CD2-CE2 3.51Å; L78-F82 WeakPolarHBondContact O-CD2 3.08Å; L78-F82 PolarHBondContact O-N 3.45Å; H80-F82 VanDerWaalsContact C-N 3.27Å; H80-F82 PolarHBondContact O-N 3.48Å; F82-K84 PolarHBondContact O-N 3.03Å; F82-I86 HydrophobicContact CD1-CG2 3.33Å; F82-I86 HydrophobicContact CE1-CG2 3.5Å; F82-H88 HydrophobicContact CE1-CB 4.05Å; F82-L92 HydrophobicContact CE2-CD1 3.98Å; F82-L92 HydrophobicContact CZ-CD1 3.79Å
83S85.4Confident88.6Confident75 Ų7547.5 Ų47.552%0.52425%0.246SC..SBendtrans-63.4-22.6178.459.80000114.2P79 H80P79-S83 WeakPolarHBondContact O-CB 3.13Å; P79-S83 PolarHBondContact O-N 2.83Å; H80-S83 VanDerWaalsContact O-CB 3.29Å; H80-S83 WeakPolarHBondContact O-CB 2.88Å; H80-S83 PolarHBondContact O-N 3.19Å; H80-S83 PolarHBondContact O-OG 3.4Å
84K83.2Confident88.9Confident102 Ų10243.7 Ų43.744%0.44322%0.223SC..SBendtrans-122.8149.7173.3-59.6-177.1178.8-176.10110R9 F82 I86R9-K84 PolarHBondContact NH2-O 2.99Å; F82-K84 PolarHBondContact O-N 3.03Å; K84-I86 PolarHBondContact O-N 2.75Å
85P83.6Confident89.2Confident71 Ų7134.5 Ų34.546%0.46119%0.189SC..  trans-48.1128.4175.3-26.834.6000111.5R9R9-P85 PolarHBondContact N-O 3.1Å
86I86.7Confident89.5Confident3 Ų335 Ų352%0.01519%0.19CC..BIsolated β-bridgetrans-140.4132.7177.7-171.9178.2000108.3M1 R9 T51 F82 K84 H88M1-I86 HydrophobicContact CE-CD1 3.27Å; M1-I86 HydrophobicContact CG-CD1 4.39Å; M1-I86 HydrophobicContact SD-CD1 3.45Å; M1-I86 WeakPolarHBondContact SD-CD1 3.32Å; R9-I86 HydrophobicContact CB-CB 4.33Å; R9-I86 HydrophobicContact CB-CG1 4.09Å; R9-I86 CarbonylContact O-C 3.47Å; R9-I86 WeakPolarHBondContact O-CA 3.42Å; R9-I86 WeakPolarHBondContact O-CG1 3.09Å; T51-I86 HydrophobicContact CG2-CG2 3.72Å; T51-I86 WeakPolarHBondContact CG2-O 3.34Å; T51-I86 PolarHBondContact OG1-O 3.42Å; F82-I86 HydrophobicContact CD1-CG2 3.33Å; F82-I86 HydrophobicContact CE1-CG2 3.5Å; K84-I86 PolarHBondContact O-N 2.75Å; I86-H88 HydrophobicContact CD1-CB 4.15Å; I86-H88 HydrophobicContact CG1-CB 4.11Å; I86-H88 HydrophobicContact CG2-CB 4.18Å; I86-H88 PolarHBondContact O-N 2.88Å
87Q88.1Confident89.7Confident101 Ų10136.7 Ų36.747%0.47220%0.199SC..  trans-78.7102.7163-69.1-168.7-1.300106.9I4 T8 R9 P11I4-Q87 HydrophobicContact CD1-CB 4.04Å; I4-Q87 HydrophobicContact CD1-CG 3.94Å; T8-Q87 HydrophobicContact CG2-CG 3.94Å; R9-Q87 PolarHBondContact O-N 3.44Å; P11-Q87 WeakPolarHBondContact CD-O 3.42Å
88H90.4Very high89.6Confident12 Ų1235.1 Ų35.16%0.05619%0.185CC..  trans-145.9108.2179.1-158.9-63.4000106.6Q49 W50 F82 I86 Q90Q49-H88 CarbonylContact C-O 3.55Å; Q49-H88 WeakPolarHBondContact CA-O 3.45Å; Q49-H88 VanDerWaalsContact OE1-C 3.25Å; Q49-H88 PolarHBondContact OE1-O 3.23Å; W50-H88 AromaticContact CD1-CG 3.92Å; W50-H88 AromaticContact CD1-ND1 3.22Å; W50-H88 PolarHBondContact N-O 3.08Å; W50-H88 AromaticContact NE1-ND1 3.56Å; F82-H88 HydrophobicContact CE1-CB 4.05Å; I86-H88 HydrophobicContact CD1-CB 4.15Å; I86-H88 HydrophobicContact CG1-CB 4.11Å; I86-H88 HydrophobicContact CG2-CB 4.18Å; I86-H88 PolarHBondContact O-N 2.88Å; H88-Q90 PolarHBondContact ND1-O 2.78Å
89N94.4Very high89.4Confident32 Ų3241.7 Ų41.717%0.17121%0.213CC..  trans-123.28.3167.965.1-23.9000111.6N39 C47 Q49N39-N89 WeakPolarHBondContact CB-O 3.5Å; C47-N89 HydrophobicContact CB-CB 4.44Å; C47-N89 WeakPolarHBondContact CB-O 3.42Å; Q49-N89 HydrophobicContact CG-CB 4.46Å
90Q95.1Very high89.2Confident19 Ų1943.9 Ų43.99%0.08922%0.224CC..SBendtrans-69.8150.7173.7-62.17416.500109.8Y14 G36 K38 W50 H88Y14-Q90 HydrophobicContact CE1-CG 4.1Å; Y14-Q90 PolarHBondContact OH-NE2 3.18Å; G36-Q90 WeakPolarHBondContact O-CG 3.47Å; K38-Q90 CarbonylContact O-C 3.59Å; K38-Q90 VanDerWaalsContact O-CA 3.23Å; K38-Q90 WeakPolarHBondContact O-CA 3.42Å; W50-Q90 PolarHBondContact NE1-O 2.9Å; H88-Q90 PolarHBondContact ND1-O 2.78Å
91C96.4Very high88.7Confident1 Ų139.2 Ų39.21%0.00720%0.202CC..  trans-59.4145.4177.1-56.90000111.4Y34 K38 P118 I119 C133 F134Y34-C91 HydrophobicContact CD1-CB 4.34Å; Y34-C91 WeakPolarHBondContact CD1-O 3.35Å; Y34-C91 HydrophobicContact CE1-CB 4.24Å; K38-C91 PolarHBondContact O-N 3.07Å; K38-C91 PolarHBondContact O-SG 3.48Å; C91-P118 HydrophobicContact CB-CB 4.09Å; C91-I119 CarbonylContact C-O 3.39Å; C91-I119 VanDerWaalsContact CA-O 3.29Å; C91-I119 WeakPolarHBondContact CA-O 3.12Å; C91-C133 HydrophobicContact CB-CB 3.6Å; C91-C133 WeakPolarHBondContact CB-SG 3.46Å; C91-C133 WeakPolarHBondContact SG-CB 3.01Å; C91-C133 CovalentContact SG-SG 2.01Å; C91-C133 PolarHBondContact SG-SG 2.02Å; C91-F134 HydrophobicContact CB-CE2 4.48Å
92L95.3Very high88.1Confident16 Ų1642 Ų428%0.08422%0.222CC..BIsolated β-bridgetrans-129.6136.6177.3-70.8178.1000110W50 L78 F82 I94 L97 P118 I119W50-L92 HydrophobicContact CD2-CD1 3.93Å; W50-L92 HydrophobicContact CG-CD1 4.27Å; W50-L92 HydrophobicContact CH2-CB 4.19Å; W50-L92 HydrophobicContact CH2-CD1 4.46Å; W50-L92 HydrophobicContact CZ2-CB 3.65Å; W50-L92 HydrophobicContact CZ2-CD1 3.89Å; W50-L92 HydrophobicContact CZ2-CG 3.86Å; L78-L92 HydrophobicContact CD2-CD1 4.4Å; F82-L92 HydrophobicContact CE2-CD1 3.98Å; F82-L92 HydrophobicContact CZ-CD1 3.79Å; L92-I94 HydrophobicContact CB-CD1 4.26Å; L92-I94 PolarHBondContact O-N 3.27Å; L92-L97 HydrophobicContact CD1-CD1 4.34Å; L92-P118 WeakPolarHBondContact O-CA 3.33Å; L92-I119 PolarHBondContact N-O 3.06Å; L92-I119 PolarHBondContact O-N 3.04Å
93N93.9Very high87.6Confident3 Ų342 Ų422%0.01622%0.224CC..  trans-8196.1166.5-163.2-15.1000108.9M29 I32 L95 T96 P118M29-N93 PolarHBondContact O-ND2 3.05Å; I32-N93 VanDerWaalsContact O-CB 3.26Å; I32-N93 WeakPolarHBondContact O-CB 3.44Å; I32-N93 PolarHBondContact O-ND2 3.44Å; N93-L95 PolarHBondContact O-N 3.22Å; N93-L95 PolarHBondContact OD1-N 2.9Å; N93-T96 HydrophobicContact CB-CG2 4.1Å; N93-T96 PolarHBondContact O-N 3Å; N93-T96 PolarHBondContact O-OG1 3.41Å; N93-P118 HydrophobicContact CB-CG 4.19Å
94I92Very high87Confident0 Ų040.1 Ų40.10%021%0.206CC..THydrogen-bonded Turntrans-62.4-31.2-176.6-61.2-64.2000111.3W50 W66 I69 L78 L92 T96 L97 L98 I114 I119W50-I94 HydrophobicContact CH2-CD1 3.75Å; W50-I94 HydrophobicContact CH2-CG1 4.33Å; W50-I94 HydrophobicContact CZ3-CD1 3.87Å; W66-I94 HydrophobicContact CZ3-CG2 4.45Å; I69-I94 HydrophobicContact CG2-CG2 3.85Å; L78-I94 HydrophobicContact CD1-CD1 3.77Å; L78-I94 HydrophobicContact CD1-CG2 4.12Å; L78-I94 HydrophobicContact CD2-CD1 4.12Å; L92-I94 HydrophobicContact CB-CD1 4.26Å; L92-I94 PolarHBondContact O-N 3.27Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 3.33Å; I94-L97 WeakPolarHBondContact O-CB 3.3Å; I94-L97 PolarHBondContact O-N 2.99Å; I94-L98 PolarHBondContact O-N 3.25Å; I94-I114 HydrophobicContact CB-CG2 4.24Å; I94-I114 HydrophobicContact CG2-CG2 4.34Å; I94-I119 HydrophobicContact CG1-CD1 3.86Å; I94-I119 HydrophobicContact CG1-CG1 3.85Å
95L88.7Confident86.3Confident2 Ų240 Ų401%0.0120%0.204CC..G310 helixtrans-62.6-38.7-178.7-171.857.5000111.8L30 N93 L97 L98 Q101 Y104 I114 L115L30-L95 HydrophobicContact CB-CD2 3.95Å; L30-L95 HydrophobicContact CD2-CD2 3.93Å; L30-L95 HydrophobicContact CG-CD2 4.43Å; N93-L95 PolarHBondContact O-N 3.22Å; N93-L95 PolarHBondContact OD1-N 2.9Å; L95-L97 PolarHBondContact O-N 3.26Å; L95-L98 HydrophobicContact CD1-CD1 3.96Å; L95-L98 PolarHBondContact O-N 3.42Å; L95-Q101 HydrophobicContact CD1-CG 4.3Å; L95-Q101 HydrophobicContact CG-CG 4.07Å; L95-Q101 WeakPolarHBondContact O-CG 3.25Å; L95-Y104 HydrophobicContact CD1-CD1 4.21Å; L95-Y104 HydrophobicContact CD1-CD2 4.47Å; L95-Y104 HydrophobicContact CD1-CG 3.84Å; L95-I114 HydrophobicContact CD1-CD1 4.33Å; L95-L115 HydrophobicContact CD2-CD2 4.2Å
96T90.9Very high85.7Confident24 Ų2442.7 Ų42.715%0.14721%0.208CC..G310 helixtrans-73.5-12.2176.767.70000113.2E33 N93 I94E33-T96 HydrophobicContact CG-CG2 4.3Å; N93-T96 HydrophobicContact CB-CG2 4.1Å; N93-T96 PolarHBondContact O-N 3Å; N93-T96 PolarHBondContact O-OG1 3.41Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 3.33Å
97L90.8Very high84.9Confident36 Ų3644.6 Ų44.619%0.18822%0.216CC..G310 helixtrans-95.30.1176.6-59.2175.6000112.8S76 A77 L78 L92 I94 L95S76-L97 WeakPolarHBondContact CA-O 3.29Å; S76-L97 PolarHBondContact OG-O 3.38Å; A77-L97 PolarHBondContact N-O 3.22Å; L78-L97 HydrophobicContact CD2-CD1 3.55Å; L78-L97 HydrophobicContact CG-CB 4.23Å; L78-L97 HydrophobicContact CG-CD1 3.95Å; L92-L97 HydrophobicContact CD1-CD1 4.34Å; I94-L97 WeakPolarHBondContact O-CB 3.3Å; I94-L97 PolarHBondContact O-N 2.99Å; L95-L97 PolarHBondContact O-N 3.26Å
98L87.8Confident83.8Confident8 Ų844.5 Ų44.54%0.04222%0.224CC..BIsolated β-bridgetrans-82.3136.6171.2-56.3-175.8000110W68 I69 I94 L95 D100 F107 M110 I114W68-L98 HydrophobicContact CH2-CD2 4.25Å; W68-L98 HydrophobicContact CZ3-CD2 4.21Å; I69-L98 HydrophobicContact CG1-CD2 4.44Å; I69-L98 HydrophobicContact CG2-CD2 4.47Å; I94-L98 PolarHBondContact O-N 3.25Å; L95-L98 HydrophobicContact CD1-CD1 3.96Å; L95-L98 PolarHBondContact O-N 3.42Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.95Å; L98-F107 HydrophobicContact CD1-CD2 4.2Å; L98-F107 HydrophobicContact CD1-CE2 4.12Å; L98-M110 HydrophobicContact CD1-CE 3.41Å; L98-M110 VanDerWaalsContact CD1-CE 3.41Å; L98-I114 HydrophobicContact CD1-CD1 4.41Å
99K85.2Confident82.7Confident138 Ų13845.4 Ų45.460%0.624%0.237SC*.THydrogen-bonded Turntrans-71.9-24.6-177.3-75.5-175.4167.9-176.90114.1T73 R74 A75T73-K99 VanDerWaalsContact O-CE 3.28Å; T73-K99 WeakPolarHBondContact O-CE 3.28Å; T73-K99 PolarHBondContact O-NZ 2.88Å; R74-K99 WeakPolarHBondContact O-CD 3.06Å; A75-K99 PolarHBondContact O-N 2.88Å
100D81.6Confident81.6Confident74 Ų7444.5 Ų44.540%0.39623%0.232SC..THydrogen-bonded Turntrans-120.558.7174.9-171.66.8000109.4L98 P102 S103 F107L98-D100 VanDerWaalsContact C-N 3.32Å; L98-D100 PolarHBondContact O-N 2.95Å; D100-P102 VanDerWaalsContact C-CD 3.46Å; D100-S103 PolarHBondContact O-N 3.3Å; D100-S103 VanDerWaalsContact O-N 3.12Å; D100-S103 VanDerWaalsContact OD1-CB 3.29Å; D100-S103 WeakPolarHBondContact OD1-CB 3.34Å; D100-S103 PolarHBondContact OD1-OG 3.38Å; D100-S103 WeakPolarHBondContact OD2-CB 3.39Å; D100-S103 PolarHBondContact OD2-OG 2.87Å; D100-F107 HydrophobicContact CB-CZ 4.18Å
101Q77.1Confident80.8Confident47 Ų4744.5 Ų44.522%0.2223%0.232CC..G310 helixtrans-52.4-45.2-179.2-176.8-172.97.900112.9L30 N31 L95 S103 Y104L30-Q101 PolarHBondContact O-NE2 2.01Å; N31-Q101 PolarHBondContact OD1-NE2 2.87Å; L95-Q101 HydrophobicContact CD1-CG 4.3Å; L95-Q101 HydrophobicContact CG-CG 4.07Å; L95-Q101 WeakPolarHBondContact O-CG 3.25Å; Q101-S103 PolarHBondContact O-N 3.17Å; Q101-S103 VanDerWaalsContact O-N 3.15Å; Q101-Y104 WeakPolarHBondContact O-CB 3.35Å; Q101-Y104 WeakPolarHBondContact O-CD1 3.37Å; Q101-Y104 PolarHBondContact O-N 3.06Å; Q101-Y104 VanDerWaalsContact O-N 3.1Å
102P76.3Confident79.8Confident103 Ų10345.1 Ų45.167%0.66924%0.237SC*.G310 helixtrans-63.7-22.6-179.1-22.535.2000113.9D100 Y105D100-P102 VanDerWaalsContact C-CD 3.46Å; P102-Y105 VanDerWaalsContact O-CE1 3.29Å; P102-Y105 WeakPolarHBondContact O-CE1 3.4Å
103S76Confident79.2Confident14 Ų1445.2 Ų45.210%0.09824%0.238CC..G310 helixtrans-99.821.8177.8-54.90000113.1D100 Q101 Y105 K106D100-S103 PolarHBondContact O-N 3.3Å; D100-S103 VanDerWaalsContact O-N 3.12Å; D100-S103 VanDerWaalsContact OD1-CB 3.29Å; D100-S103 WeakPolarHBondContact OD1-CB 3.34Å; D100-S103 PolarHBondContact OD1-OG 3.38Å; D100-S103 WeakPolarHBondContact OD2-CB 3.39Å; D100-S103 PolarHBondContact OD2-OG 2.87Å; Q101-S103 PolarHBondContact O-N 3.17Å; Q101-S103 VanDerWaalsContact O-N 3.15Å; S103-Y105 PolarHBondContact O-N 2.71Å; S103-K106 WeakPolarHBondContact O-CB 3.49Å; S103-K106 PolarHBondContact O-N 3.45Å; S103-K106 PolarHBondContact OG-NZ 2.86Å; S103-K106 VanDerWaalsContact OG-NZ 3.09Å
104Y72.5Confident78.8Confident37 Ų3745 Ų4515%0.14524%0.237CC..G310 helixtrans-54.3-35-171.973-92.5000113.7L95 Q101 K106 F107 M110 L115L95-Y104 HydrophobicContact CD1-CD1 4.21Å; L95-Y104 HydrophobicContact CD1-CD2 4.47Å; L95-Y104 HydrophobicContact CD1-CG 3.84Å; Q101-Y104 WeakPolarHBondContact O-CB 3.35Å; Q101-Y104 WeakPolarHBondContact O-CD1 3.37Å; Q101-Y104 PolarHBondContact O-N 3.06Å; Q101-Y104 VanDerWaalsContact O-N 3.1Å; Y104-K106 PolarHBondContact O-N 3.29Å; Y104-K106 VanDerWaalsContact O-N 3.11Å; Y104-F107 WeakPolarHBondContact O-CB 3.42Å; Y104-F107 VanDerWaalsContact O-CD2 3.25Å; Y104-F107 WeakPolarHBondContact O-CD2 3.11Å; Y104-F107 PolarHBondContact O-N 3.09Å; Y104-M110 HydrophobicContact CD2-SD 3.79Å; Y104-M110 HydrophobicContact CG-SD 4.4Å; Y104-L115 HydrophobicContact CD2-CD2 3.78Å; Y104-L115 HydrophobicContact CE2-CD1 4.12Å; Y104-L115 HydrophobicContact CE2-CD2 3.44Å; Y104-L115 VanDerWaalsContact CE2-CD2 3.44Å; Y104-L115 HydrophobicContact CE2-CG 4.42Å
105Y70.4Confident78.4Confident100 Ų10045.9 Ų45.939%0.39224%0.241SC..G310 helixtrans-61.8-17.7178.359.5-93.7000113.6P102 S103 F107 I280P102-Y105 VanDerWaalsContact O-CE1 3.29Å; P102-Y105 WeakPolarHBondContact O-CE1 3.4Å; S103-Y105 PolarHBondContact O-N 2.71Å; Y105-F107 VanDerWaalsContact C-N 3.32Å; Y105-I280 HydrophobicContact CE1-CG2 4.04Å
106K70.3Confident78.3Confident127 Ų12747.3 Ų47.355%0.55225%0.248SC*.G310 helixtrans-80.9-13.5175.9-57.5-175-169.3142.80112.6S103 Y104 P108S103-K106 WeakPolarHBondContact O-CB 3.49Å; S103-K106 PolarHBondContact O-N 3.45Å; S103-K106 PolarHBondContact OG-NZ 2.86Å; S103-K106 VanDerWaalsContact OG-NZ 3.09Å; Y104-K106 PolarHBondContact O-N 3.29Å; Y104-K106 VanDerWaalsContact O-N 3.11Å; K106-P108 VanDerWaalsContact O-CD 3.32Å; K106-P108 WeakPolarHBondContact O-CD 3.41Å
107F68.7Low78.3Confident43 Ų4346.2 Ų46.219%0.18924%0.241CC..SBendtrans-79115.4179.6-65-63.8000110.2W68 L98 D100 Y104 Y105 G109 M110W68-F107 HydrophobicContact CH2-CB 3.61Å; W68-F107 AromaticContact CH2-CD1 3.61Å; W68-F107 HydrophobicContact CH2-CD1 3.61Å; W68-F107 AromaticContact CH2-CD2 3.81Å; W68-F107 HydrophobicContact CH2-CD2 3.81Å; W68-F107 HydrophobicContact CH2-CE1 4.22Å; W68-F107 HydrophobicContact CH2-CE2 4.42Å; W68-F107 AromaticContact CH2-CG 3.39Å; W68-F107 HydrophobicContact CH2-CG 3.39Å; W68-F107 HydrophobicContact CZ2-CB 3.55Å; W68-F107 HydrophobicContact CZ2-CD1 4.21Å; W68-F107 AromaticContact CZ2-CG 3.89Å; W68-F107 HydrophobicContact CZ2-CG 3.89Å; W68-F107 AromaticContact CZ3-CD1 3.82Å; W68-F107 HydrophobicContact CZ3-CD1 3.82Å; W68-F107 HydrophobicContact CZ3-CE1 4.07Å; W68-F107 HydrophobicContact CZ3-CG 4.07Å; L98-F107 HydrophobicContact CD1-CD2 4.2Å; L98-F107 HydrophobicContact CD1-CE2 4.12Å; D100-F107 HydrophobicContact CB-CZ 4.18Å; Y104-F107 WeakPolarHBondContact O-CB 3.42Å; Y104-F107 VanDerWaalsContact O-CD2 3.25Å; Y104-F107 WeakPolarHBondContact O-CD2 3.11Å; Y104-F107 PolarHBondContact O-N 3.09Å; Y105-F107 VanDerWaalsContact C-N 3.32Å; F107-G109 PolarHBondContact O-N 3.27Å; F107-M110 HydrophobicContact CB-CE 3.79Å; F107-M110 HydrophobicContact CD2-CE 3.58Å; F107-M110 HydrophobicContact CG-CE 4.07Å
108P65Low78.5Confident98 Ų9844.5 Ų44.564%0.63623%0.232SC*.THydrogen-bonded Turntrans-67.4132-174.326.6-33.5000111.3K106 M110K106-P108 VanDerWaalsContact O-CD 3.32Å; K106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-M110 VanDerWaalsContact C-N 3.35Å
109G67.7Low78.9Confident32 Ų3244.1 Ų44.133%0.3323%0.23SC..THydrogen-bonded Turntrans71.326.1174.100000114.4Y64 Q65 F107 D111Y64-G109 WeakPolarHBondContact OH-CA 3.48Å; Q65-G109 WeakPolarHBondContact CB-O 3.4Å; Q65-G109 PolarHBondContact OE1-O 2.92Å; F107-G109 PolarHBondContact O-N 3.27Å; G109-D111 PolarHBondContact O-N 2.96Å
110M72.6Confident79.4Confident12 Ų1237.5 Ų37.56%0.05920%0.201CC..  trans-57.6128.6174.7-176.3166.6-87.700111W68 L98 Y104 F107 P108 P112 I114 W185W68-M110 HydrophobicContact CH2-CE 3.94Å; W68-M110 HydrophobicContact CZ2-CE 4.13Å; L98-M110 HydrophobicContact CD1-CE 3.41Å; L98-M110 VanDerWaalsContact CD1-CE 3.41Å; Y104-M110 HydrophobicContact CD2-SD 3.79Å; Y104-M110 HydrophobicContact CG-SD 4.4Å; F107-M110 HydrophobicContact CB-CE 3.79Å; F107-M110 HydrophobicContact CD2-CE 3.58Å; F107-M110 HydrophobicContact CG-CE 4.07Å; P108-M110 VanDerWaalsContact C-N 3.35Å; M110-P112 WeakPolarHBondContact O-CD 3.47Å; M110-I114 HydrophobicContact CE-CD1 3.59Å; M110-I114 HydrophobicContact CG-CD1 3.4Å; M110-I114 HydrophobicContact CG-CG1 3.83Å; M110-I114 HydrophobicContact SD-CD1 3.3Å; M110-I114 WeakPolarHBondContact SD-CD1 3.33Å; M110-I114 HydrophobicContact SD-CG1 3.98Å; M110-W185 HydrophobicContact CB-CH2 4.37Å
111D76.7Confident80Confident19 Ų1934 Ų3410%0.10218%0.182CC..  trans-65.4119.3176.3-164.1-41000109.1Q65 W66 G109 V113 I114Q65-D111 PolarHBondContact NE2-OD2 3.46Å; W66-D111 HydrophobicContact CH2-CB 4.2Å; W66-D111 HydrophobicContact CZ2-CB 3.47Å; W66-D111 VanDerWaalsContact CZ2-CB 3.47Å; W66-D111 WeakPolarHBondContact CZ2-OD2 3.28Å; W66-D111 PolarHBondContact NE1-OD2 3.01Å; G109-D111 PolarHBondContact O-N 2.96Å; D111-V113 HydrophobicContact CB-CG1 4.03Å; D111-V113 VanDerWaalsContact CG-CG1 3.5Å; D111-V113 PolarHBondContact O-N 3.02Å; D111-V113 WeakPolarHBondContact OD1-CB 3.46Å; D111-V113 WeakPolarHBondContact OD1-CG1 3.37Å; D111-V113 PolarHBondContact OD1-N 2.82Å; D111-V113 VanDerWaalsContact OD1-N 3.15Å; D111-I114 WeakPolarHBondContact O-CG1 3.46Å; D111-I114 PolarHBondContact O-N 2.76Å; D111-I114 VanDerWaalsContact O-N 3.07Å
112P76.4Confident80.9Confident15 Ų1531.8 Ų31.810%0.09717%0.172CC..G310 helixtrans-67.3-13.8-172.7-8.321.8000113.1M110 I114 L115 W185 P190M110-P112 WeakPolarHBondContact O-CD 3.47Å; P112-I114 PolarHBondContact O-N 3.46Å; P112-L115 WeakPolarHBondContact O-CB 3.42Å; P112-L115 PolarHBondContact O-N 3.3Å; P112-W185 VanDerWaalsContact CA-CZ3 3.47Å; P112-W185 HydrophobicContact CB-CE3 3.51Å; P112-W185 HydrophobicContact CB-CH2 4.44Å; P112-W185 HydrophobicContact CB-CZ3 3.27Å; P112-W185 HydrophobicContact CG-CE3 3.46Å; P112-W185 VanDerWaalsContact CG-CE3 3.46Å; P112-W185 HydrophobicContact CG-CZ3 3.43Å; P112-W185 VanDerWaalsContact CG-CZ3 3.43Å; P112-P190 HydrophobicContact CB-CG 4.48Å; P112-P190 HydrophobicContact CG-CB 3.99Å; P112-P190 VanDerWaalsContact CG-CD 3.45Å; P112-P190 HydrophobicContact CG-CG 3.9Å
113V83.1Confident81.6Confident17 Ų1730.9 Ų30.910%0.10316%0.161CC..G310 helixtrans-55.9-28.8171.876.50000112W66 D111 L115 K116 I119 P130W66-V113 HydrophobicContact CH2-CG1 4.18Å; W66-V113 HydrophobicContact CZ2-CG1 3.94Å; D111-V113 HydrophobicContact CB-CG1 4.03Å; D111-V113 VanDerWaalsContact CG-CG1 3.5Å; D111-V113 PolarHBondContact O-N 3.02Å; D111-V113 WeakPolarHBondContact OD1-CB 3.46Å; D111-V113 WeakPolarHBondContact OD1-CG1 3.37Å; D111-V113 PolarHBondContact OD1-N 2.82Å; D111-V113 VanDerWaalsContact OD1-N 3.15Å; V113-L115 PolarHBondContact O-N 2.88Å; V113-K116 VanDerWaalsContact O-CB 3.28Å; V113-K116 WeakPolarHBondContact O-CB 2.99Å; V113-K116 PolarHBondContact O-N 2.75Å; V113-I119 HydrophobicContact CG1-CD1 4.31Å; V113-I119 HydrophobicContact CG2-CG2 4.1Å; V113-I119 WeakPolarHBondContact O-CG2 3.23Å; V113-P130 HydrophobicContact CB-CG 4.43Å; V113-P130 HydrophobicContact CG1-CB 3.66Å; V113-P130 HydrophobicContact CG1-CG 3.66Å; V113-P130 HydrophobicContact CG2-CB 4.34Å
114I84.8Confident82.1Confident0 Ų034.1 Ų34.10%018%0.175CC..G310 helixtrans-70.3-18.717979.5168.8000112.7W66 I94 L95 L98 M110 D111 P112 K116 I119W66-I114 HydrophobicContact CH2-CG2 3.51Å; W66-I114 HydrophobicContact CZ2-CG2 4.41Å; W66-I114 HydrophobicContact CZ3-CG2 4.05Å; I94-I114 HydrophobicContact CB-CG2 4.24Å; I94-I114 HydrophobicContact CG2-CG2 4.34Å; L95-I114 HydrophobicContact CD1-CD1 4.33Å; L98-I114 HydrophobicContact CD1-CD1 4.41Å; M110-I114 HydrophobicContact CE-CD1 3.59Å; M110-I114 HydrophobicContact CG-CD1 3.4Å; M110-I114 HydrophobicContact CG-CG1 3.83Å; M110-I114 HydrophobicContact SD-CD1 3.3Å; M110-I114 WeakPolarHBondContact SD-CD1 3.33Å; M110-I114 HydrophobicContact SD-CG1 3.98Å; D111-I114 WeakPolarHBondContact O-CG1 3.46Å; D111-I114 PolarHBondContact O-N 2.76Å; D111-I114 VanDerWaalsContact O-N 3.07Å; P112-I114 PolarHBondContact O-N 3.46Å; I114-K116 PolarHBondContact O-N 3.19Å; I114-I119 HydrophobicContact CG2-CD1 4.36Å
115L83.1Confident82.8Confident18 Ų1840.2 Ų40.29%0.09421%0.205CC..G310 helixtrans-80.61.6172.9-52.6-176.4000112L30 L95 Y104 P112 V113 G117 W185 E186L30-L115 HydrophobicContact CD2-CB 4.27Å; L30-L115 VanDerWaalsContact CD2-O 3.22Å; L30-L115 WeakPolarHBondContact CD2-O 3.45Å; L95-L115 HydrophobicContact CD2-CD2 4.2Å; Y104-L115 HydrophobicContact CD2-CD2 3.78Å; Y104-L115 HydrophobicContact CE2-CD1 4.12Å; Y104-L115 HydrophobicContact CE2-CD2 3.44Å; Y104-L115 VanDerWaalsContact CE2-CD2 3.44Å; Y104-L115 HydrophobicContact CE2-CG 4.42Å; P112-L115 WeakPolarHBondContact O-CB 3.42Å; P112-L115 PolarHBondContact O-N 3.3Å; V113-L115 PolarHBondContact O-N 2.88Å; L115-G117 VanDerWaalsContact C-N 3.34Å; L115-W185 HydrophobicContact CD1-CH2 3.46Å; L115-W185 VanDerWaalsContact CD1-CH2 3.46Å; L115-W185 HydrophobicContact CD1-CZ2 3.91Å; L115-W185 HydrophobicContact CD1-CZ3 3.91Å; L115-W185 HydrophobicContact CG-CH2 4.23Å; L115-E186 HydrophobicContact CD1-CB 3.88Å; L115-E186 HydrophobicContact CD1-CG 3.63Å
116K86.6Confident83.5Confident32 Ų3242.6 Ų42.614%0.13922%0.224CC..G310 helixtrans-97.115.2173.5-53-60180-173.10112.4V113 I114 P132V113-K116 VanDerWaalsContact O-CB 3.28Å; V113-K116 WeakPolarHBondContact O-CB 2.99Å; V113-K116 PolarHBondContact O-N 2.75Å; I114-K116 PolarHBondContact O-N 3.19Å; K116-P132 HydrophobicContact CB-CB 3.93Å; K116-P132 HydrophobicContact CB-CG 4.39Å
117G91.1Very high84.2Confident0 Ų043.4 Ų43.40%023%0.228CC..SBendtrans81.3-143.4176.700000113.4M29 L115 I119M29-G117 WeakPolarHBondContact O-CA 2.86Å; L115-G117 VanDerWaalsContact C-N 3.34Å; G117-I119 WeakPolarHBondContact O-CG2 3.48Å; G117-I119 PolarHBondContact O-N 3.11Å
118P96.1Very high85.2Confident0 Ų043.2 Ų43.20%023%0.228CC..SBendtrans-60.7125.4179.5-20.831.2000112I24 I32 Y34 C91 L92 N93 C133 F134I24-P118 HydrophobicContact CD1-CG 3.65Å; I32-P118 HydrophobicContact CG2-CG 4.05Å; Y34-P118 HydrophobicContact CG-CB 4.48Å; Y34-P118 HydrophobicContact CG-CG 4.23Å; C91-P118 HydrophobicContact CB-CB 4.09Å; L92-P118 WeakPolarHBondContact O-CA 3.33Å; N93-P118 HydrophobicContact CB-CG 4.19Å; P118-C133 WeakPolarHBondContact O-CB 3.33Å; P118-C133 PolarHBondContact O-N 2.83Å; P118-F134 HydrophobicContact CB-CD2 3.87Å; P118-F134 HydrophobicContact CB-CE2 3.95Å; P118-F134 HydrophobicContact CG-CD2 3.95Å; P118-F134 HydrophobicContact CG-CE2 4.13Å
119I95.3Very high86.3Confident0 Ų040.4 Ų40.40%021%0.21CC..EExtended strand (participates in β ladder)trans-116.3168.417867161.3000110.8W50 W66 C91 L92 I94 V113 I114 G117 P130 Q131 C133W50-I119 HydrophobicContact CH2-CG1 4.29Å; W50-I119 WeakPolarHBondContact CZ2-O 3.04Å; W66-I119 HydrophobicContact CH2-CD1 3.71Å; W66-I119 HydrophobicContact CZ3-CD1 4.42Å; C91-I119 CarbonylContact C-O 3.39Å; C91-I119 VanDerWaalsContact CA-O 3.29Å; C91-I119 WeakPolarHBondContact CA-O 3.12Å; L92-I119 PolarHBondContact N-O 3.06Å; L92-I119 PolarHBondContact O-N 3.04Å; I94-I119 HydrophobicContact CG1-CD1 3.86Å; I94-I119 HydrophobicContact CG1-CG1 3.85Å; V113-I119 HydrophobicContact CG1-CD1 4.31Å; V113-I119 HydrophobicContact CG2-CG2 4.1Å; V113-I119 WeakPolarHBondContact O-CG2 3.23Å; I114-I119 HydrophobicContact CG2-CD1 4.36Å; G117-I119 WeakPolarHBondContact O-CG2 3.48Å; G117-I119 PolarHBondContact O-N 3.11Å; I119-P130 HydrophobicContact CD1-CB 3.95Å; I119-Q131 CarbonylContact C-O 3.55Å; I119-Q131 VanDerWaalsContact CA-O 3.26Å; I119-Q131 WeakPolarHBondContact CA-O 3.18Å; I119-Q131 WeakPolarHBondContact CB-O 3.44Å; I119-C133 VanDerWaalsContact C-SG 3.59Å
120C96.2Very high87.4Confident0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-143.7165.6157.473.40000109.9C47 W50 Q131C47-C120 VanDerWaalsContact CA-SG 3.59Å; C47-C120 HydrophobicContact CB-CB 3.49Å; C47-C120 VanDerWaalsContact CB-CB 3.49Å; C47-C120 WeakPolarHBondContact CB-SG 3.48Å; C47-C120 WeakPolarHBondContact SG-CB 3.35Å; C47-C120 CovalentContact SG-SG 2.01Å; C47-C120 PolarHBondContact SG-SG 3.14Å; W50-C120 HydrophobicContact CZ2-CB 4.43Å; C120-Q131 PolarHBondContact N-O 3.15Å; C120-Q131 PolarHBondContact O-N 3.1Å; C120-Q131 VanDerWaalsContact O-O 3.13Å
121F94.7Very high88.3Confident1 Ų139.9 Ų39.90%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-88.7140.2170.7-74-89.6000110C47 L48 W50 V53 F62 W66 F70 I128 V129 P130C47-F121 WeakPolarHBondContact CA-O 3.33Å; L48-F121 WeakPolarHBondContact CB-O 3.48Å; L48-F121 HydrophobicContact CD1-CB 4.4Å; L48-F121 PolarHBondContact N-O 2.83Å; W50-F121 HydrophobicContact CE3-CD2 4.25Å; W50-F121 HydrophobicContact CH2-CD2 4.06Å; W50-F121 HydrophobicContact CH2-CE2 4.2Å; W50-F121 AromaticContact CZ3-CD2 3.65Å; W50-F121 HydrophobicContact CZ3-CD2 3.65Å; W50-F121 AromaticContact CZ3-CE2 3.67Å; W50-F121 HydrophobicContact CZ3-CE2 3.67Å; V53-F121 HydrophobicContact CB-CD2 4.47Å; V53-F121 HydrophobicContact CG1-CB 4.31Å; V53-F121 HydrophobicContact CG1-CD1 4.26Å; V53-F121 HydrophobicContact CG1-CD2 3.67Å; V53-F121 HydrophobicContact CG1-CE2 4.01Å; V53-F121 HydrophobicContact CG1-CG 3.79Å; V53-F121 HydrophobicContact CG1-CZ 4.43Å; V53-F121 HydrophobicContact CG2-CB 3.61Å; V53-F121 HydrophobicContact CG2-CD2 4.18Å; V53-F121 HydrophobicContact CG2-CG 4.01Å; F62-F121 HydrophobicContact CD1-CE1 4.45Å; F62-F121 AromaticContact CE1-CD1 3.95Å; F62-F121 HydrophobicContact CE1-CD1 3.95Å; F62-F121 AromaticContact CE1-CE1 3.5Å; F62-F121 HydrophobicContact CE1-CE1 3.5Å; F62-F121 VanDerWaalsContact CE1-CE1 3.5Å; F62-F121 HydrophobicContact CE1-CZ 4.05Å; F62-F121 HydrophobicContact CZ-CD1 4.29Å; F62-F121 HydrophobicContact CZ-CE1 4.27Å; W66-F121 AromaticContact CD2-CZ 3.91Å; W66-F121 HydrophobicContact CD2-CZ 3.91Å; W66-F121 AromaticContact CE2-CZ 3.81Å; W66-F121 HydrophobicContact CE3-CZ 4.09Å; W66-F121 HydrophobicContact CH2-CZ 4.05Å; W66-F121 HydrophobicContact CZ2-CE1 4.47Å; W66-F121 AromaticContact CZ2-CZ 3.92Å; W66-F121 HydrophobicContact CZ2-CZ 3.92Å; W66-F121 HydrophobicContact CZ3-CZ 4.14Å; F70-F121 HydrophobicContact CE2-CE2 4.35Å; F70-F121 HydrophobicContact CZ-CE2 4.09Å; F121-I128 HydrophobicContact CB-CG2 3.93Å; F121-I128 HydrophobicContact CD1-CG2 3.83Å; F121-I128 HydrophobicContact CG-CG2 4.23Å; F121-V129 WeakPolarHBondContact CA-O 3.22Å; F121-P130 HydrophobicContact CD1-CB 4.09Å; F121-P130 HydrophobicContact CE1-CB 3.66Å; F121-P130 HydrophobicContact CE1-CG 4.02Å; F121-P130 HydrophobicContact CZ-CB 3.95Å
122V94.8Very high89.1Confident0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-126.3163.2176.3-58.10000109.5L45 E124 I128 V129 Q131L45-V122 HydrophobicContact CB-CB 3.97Å; L45-V122 HydrophobicContact CB-CG1 3.84Å; L45-V122 HydrophobicContact CB-CG2 4.31Å; L45-V122 HydrophobicContact CD1-CB 4.33Å; L45-V122 HydrophobicContact CD1-CG2 3.85Å; V122-E124 HydrophobicContact CG2-CB 4.48Å; V122-I128 WeakPolarHBondContact O-CA 3.2Å; V122-V129 HydrophobicContact CG2-CG2 3.95Å; V122-V129 PolarHBondContact N-O 3.1Å; V122-V129 PolarHBondContact O-N 2.98Å; V122-V129 VanDerWaalsContact O-N 3.08Å; V122-Q131 HydrophobicContact CG2-CB 4.33Å; V122-Q131 HydrophobicContact CG2-CG 3.71Å
123N91.6Very high90.1Very high83 Ų8338.7 Ų38.744%0.44419%0.194SC..EExtended strand (participates in β ladder)trans-92.9111.7165.9-175.9-19.5000108.3D126N123-D126 WeakPolarHBondContact OD1-CA 3.39Å; N123-D126 PolarHBondContact OD1-N 2.98Å
124E87.5Confident90.6Very high83 Ų8338 Ų3839%0.38819%0.189SC..EExtended strand (participates in β ladder)trans-117.7109.3175.7-175.8164.4-142.300108.7L45 V122 D126 F127 V129 Q131L45-E124 HydrophobicContact CD1-CB 4.42Å; V122-E124 HydrophobicContact CG2-CB 4.48Å; E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 2.76Å; E124-F127 PolarHBondContact N-O 3.49Å; E124-F127 WeakPolarHBondContact O-CB 3.33Å; E124-F127 PolarHBondContact O-N 2.8Å; E124-V129 HydrophobicContact CB-CG2 3.74Å; E124-V129 WeakPolarHBondContact OE2-CG2 3.38Å; E124-Q131 PolarHBondContact OE2-NE2 2.93Å
125Q86.7Confident90.9Very high165 Ų16539.8 Ų39.877%0.77120%0.199SC*.THydrogen-bonded Turntrans5344.6-179.6-56.2178.5-11.700113.3F127Q125-F127 WeakPolarHBondContact O-CD2 3.29Å; Q125-F127 PolarHBondContact O-N 3.23Å
126D84.4Confident91.4Very high150 Ų15039.2 Ų39.280%0.80220%0.196SC*.THydrogen-bonded Turntrans69.15.1-176.6-56.3-50000115.3N123 E124N123-D126 WeakPolarHBondContact OD1-CA 3.39Å; N123-D126 PolarHBondContact OD1-N 2.98Å; E124-D126 VanDerWaalsContact C-N 3.3Å; E124-D126 PolarHBondContact O-N 2.76Å
127F85.7Confident91.7Very high143 Ų14337.7 Ų37.763%0.62719%0.189SC*.EExtended strand (participates in β ladder)trans-99.4134171.1-64.3-84.5000111E124 Q125 V129E124-F127 PolarHBondContact N-O 3.49Å; E124-F127 WeakPolarHBondContact O-CB 3.33Å; E124-F127 PolarHBondContact O-N 2.8Å; Q125-F127 WeakPolarHBondContact O-CD2 3.29Å; Q125-F127 PolarHBondContact O-N 3.23Å; F127-V129 HydrophobicContact CB-CG1 4.07Å; F127-V129 PolarHBondContact O-N 2.99Å
128I89.2Confident91.8Very high39 Ų3940.3 Ų40.320%0.220%0.202CC..EExtended strand (participates in β ladder)trans-84.2110.5171-55.7176.4000108.3L48 F56 F62 F121 V122L48-I128 HydrophobicContact CD1-CB 4.47Å; L48-I128 HydrophobicContact CD1-CD1 4.37Å; L48-I128 HydrophobicContact CD1-CG1 4.11Å; L48-I128 HydrophobicContact CD1-CG2 3.7Å; F56-I128 HydrophobicContact CD1-CD1 4.24Å; F56-I128 HydrophobicContact CD2-CD1 3.61Å; F56-I128 HydrophobicContact CE1-CD1 4.32Å; F56-I128 HydrophobicContact CE2-CD1 3.75Å; F56-I128 HydrophobicContact CG-CD1 3.9Å; F56-I128 HydrophobicContact CZ-CD1 4.09Å; F62-I128 HydrophobicContact CE1-CG2 4.42Å; F62-I128 HydrophobicContact CE2-CB 4.38Å; F62-I128 HydrophobicContact CE2-CD1 4.45Å; F62-I128 HydrophobicContact CE2-CG2 4.37Å; F62-I128 HydrophobicContact CZ-CB 3.95Å; F62-I128 HydrophobicContact CZ-CG2 3.57Å; F121-I128 HydrophobicContact CB-CG2 3.93Å; F121-I128 HydrophobicContact CD1-CG2 3.83Å; F121-I128 HydrophobicContact CG-CG2 4.23Å; V122-I128 WeakPolarHBondContact O-CA 3.2Å
129V87.8Confident91.7Very high40 Ų4040.4 Ų40.424%0.24220%0.202CC..EExtended strand (participates in β ladder)trans-127.9144.8-176.3-63.10000111.5F121 V122 E124 F127 Q131F121-V129 WeakPolarHBondContact CA-O 3.22Å; V122-V129 HydrophobicContact CG2-CG2 3.95Å; V122-V129 PolarHBondContact N-O 3.1Å; V122-V129 PolarHBondContact O-N 2.98Å; V122-V129 VanDerWaalsContact O-N 3.08Å; E124-V129 HydrophobicContact CB-CG2 3.74Å; E124-V129 WeakPolarHBondContact OE2-CG2 3.38Å; F127-V129 HydrophobicContact CB-CG1 4.07Å; F127-V129 PolarHBondContact O-N 2.99Å; V129-Q131 HydrophobicContact CG2-CG 4.36Å
130P91Very high91.6Very high25 Ų2542.2 Ų42.216%0.16221%0.211CC..EExtended strand (participates in β ladder)trans-74.5134.5172.731.9-33.3000109.7W66 V113 I119 F121W66-P130 HydrophobicContact CH2-CB 4.33Å; W66-P130 HydrophobicContact CZ2-CB 3.83Å; W66-P130 HydrophobicContact CZ2-CG 3.71Å; V113-P130 HydrophobicContact CB-CG 4.43Å; V113-P130 HydrophobicContact CG1-CB 3.66Å; V113-P130 HydrophobicContact CG1-CG 3.66Å; V113-P130 HydrophobicContact CG2-CB 4.34Å; I119-P130 HydrophobicContact CD1-CB 3.95Å; F121-P130 HydrophobicContact CD1-CB 4.09Å; F121-P130 HydrophobicContact CE1-CB 3.66Å; F121-P130 HydrophobicContact CE1-CG 4.02Å; F121-P130 HydrophobicContact CZ-CB 3.95Å
131Q91.7Very high91.6Very high8 Ų842.9 Ų42.94%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-132.7144.1173-70-171.4-600110.8S41 I119 C120 V122 E124 V129S41-Q131 PolarHBondContact OG-OE1 3.12Å; I119-Q131 CarbonylContact C-O 3.55Å; I119-Q131 VanDerWaalsContact CA-O 3.26Å; I119-Q131 WeakPolarHBondContact CA-O 3.18Å; I119-Q131 WeakPolarHBondContact CB-O 3.44Å; C120-Q131 PolarHBondContact N-O 3.15Å; C120-Q131 PolarHBondContact O-N 3.1Å; C120-Q131 VanDerWaalsContact O-O 3.13Å; V122-Q131 HydrophobicContact CG2-CB 4.33Å; V122-Q131 HydrophobicContact CG2-CG 3.71Å; E124-Q131 PolarHBondContact OE2-NE2 2.93Å; V129-Q131 HydrophobicContact CG2-CG 4.36Å
132P93.7Very high91.6Very high8 Ų843.8 Ų43.85%0.05222%0.221CC..EExtended strand (participates in β ladder)trans-65.8149.1173.124.8-27.3000110.7S41 V42 K116 F161S41-P132 CarbonylContact C-O 3.56Å; S41-P132 WeakPolarHBondContact CA-O 3.44Å; V42-P132 HydrophobicContact CG1-CB 4.45Å; V42-P132 WeakPolarHBondContact CG1-O 3.47Å; V42-P132 HydrophobicContact CG2-CG 3.98Å; V42-P132 PolarHBondContact N-O 3.43Å; K116-P132 HydrophobicContact CB-CB 3.93Å; K116-P132 HydrophobicContact CB-CG 4.39Å; P132-F161 HydrophobicContact CB-CZ 3.99Å; P132-F161 HydrophobicContact CG-CE1 3.59Å; P132-F161 HydrophobicContact CG-CE2 4.01Å; P132-F161 HydrophobicContact CG-CZ 3.19Å
133C96.1Very high91.7Very high0 Ų046.4 Ų46.40%023%0.233CC..SBendtrans-99.1-19.2177.7-670000113.5K38 C91 P118 I119K38-C133 HydrophobicContact CD-CB 4.32Å; K38-C133 WeakPolarHBondContact CE-O 3.39Å; K38-C133 PolarHBondContact NZ-O 3.05Å; C91-C133 HydrophobicContact CB-CB 3.6Å; C91-C133 WeakPolarHBondContact CB-SG 3.46Å; C91-C133 WeakPolarHBondContact SG-CB 3.01Å; C91-C133 CovalentContact SG-SG 2.01Å; C91-C133 PolarHBondContact SG-SG 2.02Å; P118-C133 WeakPolarHBondContact O-CB 3.33Å; P118-C133 PolarHBondContact O-N 2.83Å; I119-C133 VanDerWaalsContact C-SG 3.59Å
134F93.8Very high91.8Very high2 Ų247.7 Ų47.71%0.00924%0.236CC..  trans-128.9147.5-175.3-63.8-90.6000111.1L21 I24 M29 Y34 K38 V42 C91 P118L21-F134 HydrophobicContact CB-CE1 4.12Å; L21-F134 HydrophobicContact CD2-CE1 4.04Å; L21-F134 HydrophobicContact CD2-CZ 4.23Å; L21-F134 HydrophobicContact CG-CE1 4.06Å; L21-F134 WeakPolarHBondContact O-CE1 3.01Å; I24-F134 HydrophobicContact CD1-CB 3.75Å; I24-F134 HydrophobicContact CD1-CD1 4.08Å; I24-F134 HydrophobicContact CD1-CD2 3.6Å; I24-F134 HydrophobicContact CD1-CE2 4.19Å; I24-F134 HydrophobicContact CD1-CG 3.54Å; I24-F134 HydrophobicContact CG1-CB 4.23Å; I24-F134 HydrophobicContact CG1-CD1 4.19Å; I24-F134 HydrophobicContact CG1-CG 4.09Å; M29-F134 HydrophobicContact CE-CB 4.27Å; Y34-F134 HydrophobicContact CD1-CE2 4.39Å; Y34-F134 HydrophobicContact CD2-CE2 4.2Å; Y34-F134 HydrophobicContact CD2-CZ 4.06Å; Y34-F134 HydrophobicContact CE1-CE2 4.19Å; Y34-F134 HydrophobicContact CE1-CZ 4.19Å; Y34-F134 HydrophobicContact CE2-CE1 4.41Å; Y34-F134 HydrophobicContact CE2-CE2 4Å; Y34-F134 AromaticContact CE2-CZ 3.47Å; Y34-F134 HydrophobicContact CE2-CZ 3.47Å; Y34-F134 VanDerWaalsContact CE2-CZ 3.47Å; Y34-F134 HydrophobicContact CG-CE2 4.39Å; Y34-F134 AromaticContact CZ-CZ 3.55Å; K38-F134 HydrophobicContact CB-CZ 3.95Å; K38-F134 HydrophobicContact CD-CD1 4.06Å; K38-F134 HydrophobicContact CD-CD2 4.36Å; K38-F134 HydrophobicContact CD-CE1 3.41Å; K38-F134 VanDerWaalsContact CD-CE1 3.41Å; K38-F134 HydrophobicContact CD-CE2 3.75Å; K38-F134 HydrophobicContact CD-CG 4.49Å; K38-F134 HydrophobicContact CD-CZ 3.23Å; K38-F134 HydrophobicContact CG-CZ 4.19Å; V42-F134 VanDerWaalsContact CG1-C 3.45Å; C91-F134 HydrophobicContact CB-CE2 4.48Å; P118-F134 HydrophobicContact CB-CD2 3.87Å; P118-F134 HydrophobicContact CB-CE2 3.95Å; P118-F134 HydrophobicContact CG-CD2 3.95Å; P118-F134 HydrophobicContact CG-CE2 4.13Å
135L91.7Very high92.2Very high38 Ų3844.4 Ų44.420%0.19922%0.221CC..EExtended strand (participates in β ladder)trans-85.7158.6157.5-72.2168.5000108.7C23 I24 V42 D139 M140 F161C23-L135 WeakPolarHBondContact CA-O 2.98Å; I24-L135 PolarHBondContact N-O 3.27Å; V42-L135 HydrophobicContact CG1-CG 4.42Å; L135-D139 HydrophobicContact CD2-CB 4.45Å; L135-M140 HydrophobicContact CB-CB 4.36Å; L135-M140 HydrophobicContact CB-CE 4.4Å; L135-M140 HydrophobicContact CD1-CB 4.49Å; L135-M140 HydrophobicContact CD1-CE 4.45Å; L135-F161 HydrophobicContact CD2-CD2 3.55Å; L135-F161 HydrophobicContact CD2-CE2 3.51Å; L135-F161 HydrophobicContact CG-CE2 4.49Å
136T93.1Very high92.7Very high6 Ų640.5 Ų40.54%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-65.8150.8162.268.30000109.4I24 R26 M29 E138 D139 M140I24-T136 CarbonylContact O-C 3.2Å; I24-T136 WeakPolarHBondContact O-CA 3.31Å; R26-T136 HydrophobicContact CB-CG2 4.11Å; R26-T136 HydrophobicContact CG-CG2 4.26Å; M29-T136 HydrophobicContact CE-CG2 3.63Å; T136-E138 WeakPolarHBondContact CB-OE2 2.97Å; T136-E138 PolarHBondContact O-N 2.87Å; T136-D139 PolarHBondContact O-N 3.02Å; T136-D139 WeakPolarHBondContact OG1-CB 3.25Å; T136-D139 PolarHBondContact OG1-N 3.24Å; T136-D139 PolarHBondContact OG1-OD2 3.36Å; T136-M140 WeakPolarHBondContact O-CB 3.22Å; T136-M140 PolarHBondContact O-N 2.9Å
137C93.5Very high93.3Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-62.9-31.8177.5-68.40000112.1C23 I24 D25 S141 H231 E233C23-C137 HydrophobicContact CB-CB 3.87Å; C23-C137 WeakPolarHBondContact CB-SG 3.21Å; C23-C137 WeakPolarHBondContact SG-CA 3.5Å; C23-C137 WeakPolarHBondContact SG-CB 3.42Å; C23-C137 CovalentContact SG-SG 2.04Å; C23-C137 PolarHBondContact SG-SG 3.31Å; I24-C137 PolarHBondContact O-N 2.78Å; D25-C137 WeakPolarHBondContact OD1-CB 3.22Å; D25-C137 PolarHBondContact OD1-SG 3.27Å; D25-C137 VanDerWaalsContact OD1-SG 3.37Å; C137-S141 WeakPolarHBondContact O-CB 3.47Å; C137-S141 PolarHBondContact O-N 3.37Å; C137-S141 PolarHBondContact O-OG 3.41Å; C137-H231 HydrophobicContact CB-CB 4.14Å; C137-E233 PolarHBondContact SG-N 2.83Å; C137-E233 VanDerWaalsContact SG-N 3.35Å
138E93.4Very high93.8Very high55 Ų5527.1 Ų27.126%0.25714%0.141SC..Hα-helixtrans-66.5-48.2173.5-59.487.3159.900111.6R26 T136 M140 S141 I142R26-E138 WeakPolarHBondContact CB-OE1 3.22Å; R26-E138 WeakPolarHBondContact CB-OE2 3.18Å; R26-E138 PolarHBondContact N-OE1 3.27Å; R26-E138 PolarHBondContact N-OE2 3.4Å; R26-E138 VanDerWaalsContact N-OE2 3.08Å; R26-E138 VanDerWaalsContact NH2-CB 3.3Å; T136-E138 WeakPolarHBondContact CB-OE2 2.97Å; T136-E138 PolarHBondContact O-N 2.87Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.74Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.47Å; E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 2.96Å
139D93.7Very high94Very high2 Ų228.8 Ų28.81%0.01115%0.148CC..Hα-helixtrans-64.5-39.3177-65.5-33.5000111L135 T136 S141 I142 E143 Y158 T159 G160L135-D139 HydrophobicContact CD2-CB 4.45Å; T136-D139 PolarHBondContact O-N 3.02Å; T136-D139 WeakPolarHBondContact OG1-CB 3.25Å; T136-D139 PolarHBondContact OG1-N 3.24Å; T136-D139 PolarHBondContact OG1-OD2 3.36Å; D139-S141 VanDerWaalsContact C-N 3.3Å; D139-S141 PolarHBondContact O-N 3.31Å; D139-I142 PolarHBondContact O-N 2.88Å; D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 WeakPolarHBondContact O-CG 3.26Å; D139-E143 PolarHBondContact O-N 2.98Å; D139-Y158 HydrophobicContact CB-CD2 4.4Å; D139-Y158 HydrophobicContact CB-CE2 4.22Å; D139-Y158 WeakPolarHBondContact OD1-CA 3.43Å; D139-Y158 WeakPolarHBondContact OD1-CD2 3.33Å; D139-T159 PolarHBondContact OD1-N 3.01Å; D139-T159 VanDerWaalsContact OD2-C 3.23Å; D139-T159 WeakPolarHBondContact OD2-CA 3.37Å; D139-T159 WeakPolarHBondContact OD2-CB 3.15Å; D139-T159 PolarHBondContact OD2-N 3.2Å; D139-T159 PolarHBondContact OD2-OG1 3.29Å; D139-G160 VanDerWaalsContact CG-N 3.33Å; D139-G160 PolarHBondContact OD2-N 3.12Å
140M94Very high94.3Very high38 Ų3834.8 Ų34.819%0.18717%0.166CC..Hα-helixtrans-61.1-41.2174.9-174.1174.7-74.300111.3L22 C23 L135 T136 E138 E143 E144L22-M140 WeakPolarHBondContact O-CE 3.14Å; C23-M140 HydrophobicContact CB-CB 4.42Å; C23-M140 HydrophobicContact CB-CE 3.83Å; C23-M140 HydrophobicContact CB-SD 3.94Å; L135-M140 HydrophobicContact CB-CB 4.36Å; L135-M140 HydrophobicContact CB-CE 4.4Å; L135-M140 HydrophobicContact CD1-CB 4.49Å; L135-M140 HydrophobicContact CD1-CE 4.45Å; T136-M140 WeakPolarHBondContact O-CB 3.22Å; T136-M140 PolarHBondContact O-N 2.9Å; E138-M140 VanDerWaalsContact C-N 3.32Å; E138-M140 PolarHBondContact O-N 2.74Å; M140-E143 PolarHBondContact O-N 3.29Å; M140-E144 WeakPolarHBondContact O-CB 3.42Å; M140-E144 PolarHBondContact O-N 3.2Å
141S95.2Very high94.4Very high14 Ų1438.3 Ų38.310%0.09820%0.197CC..Hα-helixtrans-63-44.1174.6-55.80000111.6C137 E138 D139 N145 H231C137-S141 WeakPolarHBondContact O-CB 3.47Å; C137-S141 PolarHBondContact O-N 3.37Å; C137-S141 PolarHBondContact O-OG 3.41Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.47Å; D139-S141 VanDerWaalsContact C-N 3.3Å; D139-S141 PolarHBondContact O-N 3.31Å; S141-N145 VanDerWaalsContact O-CB 3.28Å; S141-N145 WeakPolarHBondContact O-CB 3.43Å; S141-N145 VanDerWaalsContact O-CG 3.3Å; S141-N145 PolarHBondContact O-N 2.73Å; S141-N145 PolarHBondContact O-ND2 3.33Å; S141-H231 PolarHBondContact OG-CD2 3.05Å; S141-H231 PolarHBondContact OG-N 3.19Å
142I95.9Very high94.4Very high21 Ų2140.8 Ų40.811%0.10821%0.213CC..Hα-helixtrans-63.7-44.4177.9-70.9166.8000110.9E138 D139 N146 I148 T156 Y158 F219E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 2.96Å; D139-I142 PolarHBondContact O-N 2.88Å; I142-N146 WeakPolarHBondContact O-CA 3.47Å; I142-N146 PolarHBondContact O-N 3.29Å; I142-I148 HydrophobicContact CG2-CG1 4.14Å; I142-T156 HydrophobicContact CD1-CG2 3.73Å; I142-Y158 HydrophobicContact CB-CD2 4.36Å; I142-Y158 HydrophobicContact CD1-CD2 4.11Å; I142-Y158 HydrophobicContact CG2-CD2 3.91Å; I142-Y158 HydrophobicContact CG2-CE2 4.13Å; I142-F219 HydrophobicContact CG2-CD1 3.8Å; I142-F219 HydrophobicContact CG2-CE1 3.37Å; I142-F219 HydrophobicContact CG2-CE2 4.19Å; I142-F219 HydrophobicContact CG2-CG 4.37Å; I142-F219 HydrophobicContact CG2-CZ 3.6Å
143E95.2Very high94.4Very high55 Ų5541.2 Ų41.226%0.25722%0.215SC..Hα-helixtrans-65.2-45.4179.1-74.3-59.5151.300112.5D139 M140 N146 Y158 R162D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 WeakPolarHBondContact O-CG 3.26Å; D139-E143 PolarHBondContact O-N 2.98Å; M140-E143 PolarHBondContact O-N 3.29Å; E143-N146 PolarHBondContact O-N 3.3Å; E143-N146 VanDerWaalsContact O-N 3.12Å; E143-Y158 HydrophobicContact CG-CE2 4.38Å; E143-Y158 WeakPolarHBondContact OE1-CE2 3.36Å; E143-Y158 VanDerWaalsContact OE1-CZ 3.22Å; E143-Y158 PolarHBondContact OE1-OH 2.95Å; E143-R162 IonicContact OE1-CZ 3.93Å; E143-R162 IonicContact OE1-NE 3.1Å; E143-R162 PolarHBondContact OE1-NE 2.81Å; E143-R162 IonicContact OE1-NH2 3.83Å; E143-R162 IonicContact OE2-CZ 3.22Å; E143-R162 IonicContact OE2-NE 2.69Å; E143-R162 PolarHBondContact OE2-NE 3Å; E143-R162 IonicContact OE2-NH2 3.05Å; E143-R162 PolarHBondContact OE2-NH2 3.25Å
144E95Very high94.2Very high109 Ų10945.3 Ų45.351%0.50923%0.234SC..Hα-helixtrans-68.2-39.5179.8-173.7167.9170.400112M140 N146 V229 H231M140-E144 WeakPolarHBondContact O-CB 3.42Å; M140-E144 PolarHBondContact O-N 3.2Å; E144-N146 VanDerWaalsContact C-N 3.26Å; E144-N146 PolarHBondContact O-N 3.13Å; E144-V229 HydrophobicContact CG-CB 4.46Å; E144-V229 HydrophobicContact CG-CG2 4.39Å; E144-H231 IonicContact OE2-CD2 3.58Å; E144-H231 IonicContact OE2-CE1 3.36Å; E144-H231 PolarHBondContact OE2-CE1 2.96Å; E144-H231 IonicContact OE2-NE2 3.76Å; E144-H231 PolarHBondContact OE2-NE2 2.69Å
145N96Very high94Very high14 Ų1449.8 Ų49.88%0.07526%0.261CS..Hα-helixtrans-71.5-24172.1-70.3-50000112.1S141 C147 K226 L228 V229S141-N145 VanDerWaalsContact O-CB 3.28Å; S141-N145 WeakPolarHBondContact O-CB 3.43Å; S141-N145 VanDerWaalsContact O-CG 3.3Å; S141-N145 PolarHBondContact O-N 2.73Å; S141-N145 PolarHBondContact O-ND2 3.33Å; N145-C147 PolarHBondContact O-N 3.5Å; N145-C147 VanDerWaalsContact O-N 3.12Å; N145-C147 PolarHBondContact O-SG 3.21Å; N145-K226 PolarHBondContact O-NZ 2.81Å; N145-L228 HydrophobicContact CB-CD2 4.37Å; N145-L228 WeakPolarHBondContact OD1-CA 3.4Å; N145-V229 PolarHBondContact ND2-O 2.87Å; N145-V229 PolarHBondContact OD1-N 3Å
146N96.2Very high93.9Very high83 Ų8348.7 Ų48.744%0.44426%0.256SS..THydrogen-bonded Turntrans49.833.3-173.6-170.143.5000113.3I142 E143 E144 R162I142-N146 WeakPolarHBondContact O-CA 3.47Å; I142-N146 PolarHBondContact O-N 3.29Å; E143-N146 PolarHBondContact O-N 3.3Å; E143-N146 VanDerWaalsContact O-N 3.12Å; E144-N146 VanDerWaalsContact C-N 3.26Å; E144-N146 PolarHBondContact O-N 3.13Å; N146-R162 VanDerWaalsContact OD1-CZ 3.27Å; N146-R162 PolarHBondContact OD1-NH1 3.26Å; N146-R162 PolarHBondContact OD1-NH2 3.3Å
147C97Very high93.6Very high7 Ų752 Ų525%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-161.8164.217965.60000109.7N145 D220 C222N145-C147 PolarHBondContact O-N 3.5Å; N145-C147 VanDerWaalsContact O-N 3.12Å; N145-C147 PolarHBondContact O-SG 3.21Å; C147-D220 CarbonylContact C-O 3.59Å; C147-D220 WeakPolarHBondContact CA-O 3.49Å; C147-D220 VanDerWaalsContact CB-O 3.3Å; C147-D220 WeakPolarHBondContact CB-O 3.32Å; C147-C222 HydrophobicContact CB-CB 3.96Å; C147-C222 WeakPolarHBondContact CB-SG 3.38Å; C147-C222 WeakPolarHBondContact SG-CA 3.38Å; C147-C222 WeakPolarHBondContact SG-CB 3.13Å; C147-C222 CovalentContact SG-SG 2.04Å; C147-C222 PolarHBondContact SG-SG 3.24Å
148I96Very high93.5Very high5 Ų552.3 Ų52.33%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-118.4139.1177.9-64172.2000110I142 R150 I153 T156 P205 F219 D220 V221 C222I142-I148 HydrophobicContact CG2-CG1 4.14Å; I148-R150 PolarHBondContact O-N 3.21Å; I148-I153 HydrophobicContact CG2-CB 4.21Å; I148-I153 HydrophobicContact CG2-CG1 4.27Å; I148-T156 HydrophobicContact CD1-CG2 4.03Å; I148-T156 HydrophobicContact CG1-CG2 4.42Å; I148-T156 HydrophobicContact CG2-CG2 4.03Å; I148-T156 VanDerWaalsContact CG2-OG1 3.23Å; I148-T156 WeakPolarHBondContact CG2-OG1 3Å; I148-P205 HydrophobicContact CD1-CG 3.55Å; I148-F219 HydrophobicContact CD1-CB 3.78Å; I148-F219 HydrophobicContact CD1-CD2 3.74Å; I148-F219 HydrophobicContact CD1-CG 3.86Å; I148-F219 HydrophobicContact CG1-CB 3.9Å; I148-F219 HydrophobicContact CG1-CD2 4.43Å; I148-F219 HydrophobicContact CG1-CG 4.09Å; I148-D220 PolarHBondContact N-O 3.48Å; I148-V221 CarbonylContact O-C 3.59Å; I148-V221 WeakPolarHBondContact O-CA 3.39Å; I148-C222 VanDerWaalsContact C-SG 3.53Å; I148-C222 PolarHBondContact N-SG 2.96Å; I148-C222 PolarHBondContact O-N 2.83Å
149E94.2Very high93.1Very high75 Ų7551.2 Ų51.235%0.3528%0.275SS..  trans-59.7132.9178.4-60.7-167.4-123.500110.7A151 T152 I153 L228 K230E149-A151 PolarHBondContact O-N 3.46Å; E149-A151 VanDerWaalsContact O-N 3.14Å; E149-T152 PolarHBondContact O-N 3.24Å; E149-T152 VanDerWaalsContact O-N 3.08Å; E149-T152 PolarHBondContact O-OG1 3.35Å; E149-I153 PolarHBondContact O-N 3.4Å; E149-I153 VanDerWaalsContact O-N 3.1Å; E149-L228 HydrophobicContact CG-CD1 3.42Å; E149-L228 VanDerWaalsContact CG-CD1 3.42Å; E149-K230 VanDerWaalsContact OE1-CE 3.26Å; E149-K230 WeakPolarHBondContact OE1-CE 3.31Å; E149-K230 IonicContact OE1-NZ 3.77Å; E149-K230 PolarHBondContact OE1-NZ 2.05Å; E149-K230 IonicContact OE2-NZ 3.33Å
150R94Very high92.9Very high165 Ų16551.1 Ų51.162%0.62328%0.275SS*.THydrogen-bonded Turntrans-54.2-37.3-179.5-176-179.6-70.1-81.90.6112.3I148 T152 I153 V221I148-R150 PolarHBondContact O-N 3.21Å; R150-T152 VanDerWaalsContact C-N 3.27Å; R150-T152 PolarHBondContact O-N 2.93Å; R150-I153 WeakPolarHBondContact O-CG2 3.4Å; R150-V221 HydrophobicContact CB-CG1 3.68Å; R150-V221 HydrophobicContact CG-CG1 4.23Å
151A92.6Very high92.6Very high99 Ų9950.9 Ų50.982%0.81827%0.272SS*.THydrogen-bonded Turntrans-65.9-27-17700000113.6E149E149-A151 PolarHBondContact O-N 3.46Å; E149-A151 VanDerWaalsContact O-N 3.14Å
152T93.1Very high92.5Very high60 Ų6051.9 Ų51.937%0.36827%0.274SS..THydrogen-bonded Turntrans-116.12-174.862.50000112.8E149 R150 Q154 T155 T156E149-T152 PolarHBondContact O-N 3.24Å; E149-T152 VanDerWaalsContact O-N 3.08Å; E149-T152 PolarHBondContact O-OG1 3.35Å; R150-T152 VanDerWaalsContact C-N 3.27Å; R150-T152 PolarHBondContact O-N 2.93Å; T152-Q154 VanDerWaalsContact C-N 3.27Å; T152-Q154 PolarHBondContact O-N 2.9Å; T152-Q154 VanDerWaalsContact O-N 3.11Å; T152-T155 CarbonylContact O-C 3.49Å; T152-T155 PolarHBondContact O-N 2.96Å; T152-T155 PolarHBondContact O-OG1 3.37Å; T152-T156 VanDerWaalsContact C-OG1 3.25Å; T152-T156 WeakPolarHBondContact O-CB 2.83Å; T152-T156 PolarHBondContact O-N 3.41Å; T152-T156 PolarHBondContact O-OG1 2.89Å; T152-T156 PolarHBondContact OG1-OG1 3.11Å
153I93.6Very high92.3Very high17 Ų1753.9 Ų53.99%0.08729%0.285CS..G310 helixtrans-52.7-43.1-167.6-170.6160.1000113.4I148 E149 R150 N197 G204 V221I148-I153 HydrophobicContact CG2-CB 4.21Å; I148-I153 HydrophobicContact CG2-CG1 4.27Å; E149-I153 PolarHBondContact O-N 3.4Å; E149-I153 VanDerWaalsContact O-N 3.1Å; R150-I153 WeakPolarHBondContact O-CG2 3.4Å; I153-N197 PolarHBondContact O-ND2 2.96Å; I153-G204 WeakPolarHBondContact O-CA 3.44Å; I153-V221 HydrophobicContact CD1-CG2 3.44Å; I153-V221 VanDerWaalsContact CD1-CG2 3.44Å
154Q90.4Very high92.4Very high87 Ų8754.1 Ų54.141%0.40729%0.29SS..G310 helixtrans-72.7-31-178.8-57.5-167.5-23.200113.3T152 N197 D200T152-Q154 VanDerWaalsContact C-N 3.27Å; T152-Q154 PolarHBondContact O-N 2.9Å; T152-Q154 VanDerWaalsContact O-N 3.11Å; Q154-N197 PolarHBondContact O-ND2 3.32Å; Q154-D200 VanDerWaalsContact O-CA 3.27Å; Q154-D200 WeakPolarHBondContact O-CA 3.28Å
155T89.6Confident92.4Very high95 Ų9549.1 Ų49.158%0.58327%0.267SS*.G310 helixtrans-1044.8-17656.70000112.7T152 V157T152-T155 CarbonylContact O-C 3.49Å; T152-T155 PolarHBondContact O-N 2.96Å; T152-T155 PolarHBondContact O-OG1 3.37Å; T155-V157 PolarHBondContact O-N 2.86Å; T155-V157 VanDerWaalsContact O-N 3.12Å
156T90.1Very high92.5Very high15 Ų1552.8 Ų52.89%0.09228%0.282CS..  trans-68.2115.9-176.6-680000109.3I142 I148 T152 N197 P205I142-T156 HydrophobicContact CD1-CG2 3.73Å; I148-T156 HydrophobicContact CD1-CG2 4.03Å; I148-T156 HydrophobicContact CG1-CG2 4.42Å; I148-T156 HydrophobicContact CG2-CG2 4.03Å; I148-T156 VanDerWaalsContact CG2-OG1 3.23Å; I148-T156 WeakPolarHBondContact CG2-OG1 3Å; T152-T156 VanDerWaalsContact C-OG1 3.25Å; T152-T156 WeakPolarHBondContact O-CB 2.83Å; T152-T156 PolarHBondContact O-N 3.41Å; T152-T156 PolarHBondContact O-OG1 2.89Å; T152-T156 PolarHBondContact OG1-OG1 3.11Å; T156-N197 VanDerWaalsContact O-CB 3.26Å; T156-N197 WeakPolarHBondContact O-CB 3.04Å; T156-N197 PolarHBondContact O-ND2 3.46Å; T156-N197 VanDerWaalsContact O-ND2 3.1Å; T156-P205 HydrophobicContact CG2-CG 4.5Å
157V88Confident92.4Very high77 Ų7752.8 Ų52.847%0.46729%0.286SS..  trans-80121.2167.9179.80000107.7R26 T155 T159R26-V157 PolarHBondContact NH2-O 3.09Å; T155-V157 PolarHBondContact O-N 2.86Å; T155-V157 VanDerWaalsContact O-N 3.12Å; V157-T159 HydrophobicContact CG1-CG2 4.04Å
158Y89.9Confident92.3Very high6 Ų663.1 Ų63.12%0.02432%0.324CS..  trans-124116173.8174.3-98.2000108.9D139 I142 E143 G160 F161 R162 C195 P205 F219D139-Y158 HydrophobicContact CB-CD2 4.4Å; D139-Y158 HydrophobicContact CB-CE2 4.22Å; D139-Y158 WeakPolarHBondContact OD1-CA 3.43Å; D139-Y158 WeakPolarHBondContact OD1-CD2 3.33Å; I142-Y158 HydrophobicContact CB-CD2 4.36Å; I142-Y158 HydrophobicContact CD1-CD2 4.11Å; I142-Y158 HydrophobicContact CG2-CD2 3.91Å; I142-Y158 HydrophobicContact CG2-CE2 4.13Å; E143-Y158 HydrophobicContact CG-CE2 4.38Å; E143-Y158 WeakPolarHBondContact OE1-CE2 3.36Å; E143-Y158 VanDerWaalsContact OE1-CZ 3.22Å; E143-Y158 PolarHBondContact OE1-OH 2.95Å; Y158-G160 VanDerWaalsContact CZ-CA 3.49Å; Y158-G160 WeakPolarHBondContact OH-CA 3.21Å; Y158-F161 PolarHBondContact OH-N 2.98Å; Y158-R162 HydrophobicContact CE1-CB 4.1Å; Y158-R162 WeakPolarHBondContact OH-CB 3.29Å; Y158-R162 PolarHBondContact OH-N 3Å; Y158-C195 HydrophobicContact CD1-CB 4.29Å; Y158-C195 WeakPolarHBondContact CD1-O 3.39Å; Y158-C195 HydrophobicContact CE1-CB 4.2Å; Y158-P205 HydrophobicContact CD1-CB 4.34Å; Y158-P205 HydrophobicContact CG-CB 4.45Å; Y158-P205 HydrophobicContact CG-CG 4.28Å; Y158-F219 HydrophobicContact CD1-CE2 4.12Å; Y158-F219 HydrophobicContact CD1-CZ 4.47Å; Y158-F219 HydrophobicContact CD2-CE2 4.13Å; Y158-F219 AromaticContact CD2-CZ 3.97Å; Y158-F219 HydrophobicContact CD2-CZ 3.97Å; Y158-F219 HydrophobicContact CE1-CE2 4.15Å; Y158-F219 HydrophobicContact CE1-CZ 4.17Å; Y158-F219 HydrophobicContact CE2-CE2 4.13Å; Y158-F219 AromaticContact CE2-CZ 3.58Å; Y158-F219 HydrophobicContact CE2-CZ 3.58Å; Y158-F219 HydrophobicContact CG-CE2 4.12Å; Y158-F219 HydrophobicContact CG-CZ 4.39Å; Y158-F219 AromaticContact CZ-CZ 3.71Å
159T86.4Confident92.3Very high32 Ų3266.1 Ų66.120%0.19634%0.34CS..  trans-109.93.8-175.945.90000113.3D139 V157D139-T159 PolarHBondContact OD1-N 3.01Å; D139-T159 VanDerWaalsContact OD2-C 3.23Å; D139-T159 WeakPolarHBondContact OD2-CA 3.37Å; D139-T159 WeakPolarHBondContact OD2-CB 3.15Å; D139-T159 PolarHBondContact OD2-N 3.2Å; D139-T159 PolarHBondContact OD2-OG1 3.29Å; V157-T159 HydrophobicContact CG1-CG2 4.04Å
160G88.5Confident92.3Very high0 Ų065 Ų650%035%0.348CS..SBendtrans-71-169.7-179.100000114.5D139 Y158 R196D139-G160 VanDerWaalsContact CG-N 3.33Å; D139-G160 PolarHBondContact OD2-N 3.12Å; Y158-G160 VanDerWaalsContact CZ-CA 3.49Å; Y158-G160 WeakPolarHBondContact OH-CA 3.21Å; G160-R196 PolarHBondContact O-NH1 3.26Å
161F88.1Confident92.2Very high32 Ų3257.5 Ų57.514%0.1432%0.321CS..  trans-109.99-166.8-52.5-75.2000114.5V42 Y43 P132 L135 Y158 N163 Y194V42-F161 HydrophobicContact CB-CD2 4.48Å; V42-F161 HydrophobicContact CB-CE2 4.21Å; V42-F161 HydrophobicContact CG1-CE2 4Å; V42-F161 HydrophobicContact CG2-CD2 3.93Å; V42-F161 HydrophobicContact CG2-CE2 3.75Å; V42-F161 HydrophobicContact CG2-CZ 4.3Å; Y43-F161 HydrophobicContact CE1-CB 4.17Å; Y43-F161 HydrophobicContact CE1-CG 4.49Å; Y43-F161 WeakPolarHBondContact OH-CB 3.49Å; Y43-F161 WeakPolarHBondContact OH-CD1 2.97Å; Y43-F161 WeakPolarHBondContact OH-CG 3.4Å; P132-F161 HydrophobicContact CB-CZ 3.99Å; P132-F161 HydrophobicContact CG-CE1 3.59Å; P132-F161 HydrophobicContact CG-CE2 4.01Å; P132-F161 HydrophobicContact CG-CZ 3.19Å; L135-F161 HydrophobicContact CD2-CD2 3.55Å; L135-F161 HydrophobicContact CD2-CE2 3.51Å; L135-F161 HydrophobicContact CG-CE2 4.49Å; Y158-F161 PolarHBondContact OH-N 2.98Å; F161-N163 PolarHBondContact O-N 2.5Å; F161-Y194 HydrophobicContact CB-CD1 4.29Å; F161-Y194 HydrophobicContact CB-CE1 4.12Å; F161-Y194 HydrophobicContact CD1-CD2 4.44Å; F161-Y194 HydrophobicContact CD1-CE1 4.44Å; F161-Y194 AromaticContact CD1-CE2 4Å; F161-Y194 HydrophobicContact CD1-CE2 4Å; F161-Y194 WeakPolarHBondContact O-CD1 3.49Å; F161-Y194 WeakPolarHBondContact O-CE1 3.35Å
162R92.3Very high91.9Very high35 Ų3555.1 Ų55.113%0.13229%0.294CS..  trans-61.2127.4175.6-178.4176.5-67.2-145.9-6.3110.1E143 N146 Y158 T164 Y194 C195 C218 F219E143-R162 IonicContact OE1-CZ 3.93Å; E143-R162 IonicContact OE1-NE 3.1Å; E143-R162 PolarHBondContact OE1-NE 2.81Å; E143-R162 IonicContact OE1-NH2 3.83Å; E143-R162 IonicContact OE2-CZ 3.22Å; E143-R162 IonicContact OE2-NE 2.69Å; E143-R162 PolarHBondContact OE2-NE 3Å; E143-R162 IonicContact OE2-NH2 3.05Å; E143-R162 PolarHBondContact OE2-NH2 3.25Å; N146-R162 VanDerWaalsContact OD1-CZ 3.27Å; N146-R162 PolarHBondContact OD1-NH1 3.26Å; N146-R162 PolarHBondContact OD1-NH2 3.3Å; Y158-R162 HydrophobicContact CE1-CB 4.1Å; Y158-R162 WeakPolarHBondContact OH-CB 3.29Å; Y158-R162 PolarHBondContact OH-N 3Å; R162-T164 WeakPolarHBondContact CG-O 3.3Å; R162-Y194 CarbonylContact O-C 3.46Å; R162-Y194 VanDerWaalsContact O-CA 3.22Å; R162-Y194 WeakPolarHBondContact O-CA 3.43Å; R162-C195 PolarHBondContact O-N 3.07Å; R162-C195 PolarHBondContact O-SG 3.02Å; R162-C218 PolarHBondContact NH1-O 3.36Å; R162-F219 HydrophobicContact CB-CZ 4.42Å; R162-F219 VanDerWaalsContact CD-CZ 3.49Å; R162-F219 VanDerWaalsContact NE-CE1 3.27Å; R162-F219 VanDerWaalsContact NE-CZ 3.34Å; R162-F219 VanDerWaalsContact NH1-CD1 3.31Å; R162-F219 VanDerWaalsContact NH1-CE1 3.29Å
163N92.9Very high91.3Very high64 Ų6456.4 Ų56.434%0.34229%0.292SS..  trans-125.226.5176.766.1-5.6000112.2F161 C171 N193 Y194F161-N163 PolarHBondContact O-N 2.5Å; N163-C171 HydrophobicContact CB-CB 4.45Å; N163-C171 VanDerWaalsContact O-CB 3.31Å; N163-C171 WeakPolarHBondContact O-CB 3.31Å; N163-C171 PolarHBondContact O-N 3.34Å; N163-C171 PolarHBondContact O-SG 2.99Å; N163-N193 WeakPolarHBondContact CB-OD1 3.14Å; N163-Y194 HydrophobicContact CB-CD1 4.11Å
164T96.2Very high90.5Very high59 Ų5956.3 Ų56.336%0.36229%0.291SS..BIsolated β-bridgetrans-131142.3177.955.60000110.1R162 N169R162-T164 WeakPolarHBondContact CG-O 3.3Å; T164-N169 CarbonylContact C-O 3.52Å; T164-N169 VanDerWaalsContact CA-O 3.25Å; T164-N169 WeakPolarHBondContact CA-O 3.2Å
165T96.4Very high89.7Confident4 Ų456.4 Ų56.43%0.02529%0.294CS..  trans-77.2171.1179.171.20000111.6T167 R168 N169 C207 I209 E216T165-T167 PolarHBondContact O-N 3.29Å; T165-T167 PolarHBondContact OG1-N 2.88Å; T165-T167 PolarHBondContact OG1-OG1 2.01Å; T165-R168 WeakPolarHBondContact O-CA 2.95Å; T165-R168 PolarHBondContact O-N 3.05Å; T165-R168 PolarHBondContact OG1-N 2.87Å; T165-N169 HydrophobicContact CG2-CB 4.17Å; T165-N169 PolarHBondContact N-O 2.49Å; T165-N169 WeakPolarHBondContact OG1-CB 3.39Å; T165-N169 PolarHBondContact OG1-N 3.36Å; T165-C207 VanDerWaalsContact CG2-SG 3.6Å; T165-I209 HydrophobicContact CG2-CG2 3.55Å; T165-E216 WeakPolarHBondContact CB-OE1 3.49Å; T165-E216 HydrophobicContact CG2-CB 3.72Å; T165-E216 HydrophobicContact CG2-CG 4.06Å; T165-E216 PolarHBondContact OG1-OE1 2.95Å; T165-E216 PolarHBondContact OG1-OE2 2.99Å; T165-E216 VanDerWaalsContact OG1-OE2 3.12Å
166K96.1Very high88.9Confident92 Ų9258.2 Ų58.240%0.429%0.294SS..THydrogen-bonded Turntrans-63.4-26.517570.8-176.7-175172.10113R168 A217 D220K166-R168 VanDerWaalsContact C-N 3.27Å; K166-A217 HydrophobicContact CD-CB 4.22Å; K166-A217 WeakPolarHBondContact CG-O 3.42Å; K166-A217 PolarHBondContact N-O 2.81Å; K166-D220 WeakPolarHBondContact CD-OD1 3.02Å; K166-D220 IonicContact NZ-OD1 2.83Å
167T94.7Very high87.8Confident83 Ų8358.9 Ų58.951%0.50930%0.296SS..THydrogen-bonded Turntrans-88.37.1171.973.40000113.5T165 N169 E216T165-T167 PolarHBondContact O-N 3.29Å; T165-T167 PolarHBondContact OG1-N 2.88Å; T165-T167 PolarHBondContact OG1-OG1 2.01Å; T167-N169 PolarHBondContact OG1-ND2 2.6Å; T167-E216 VanDerWaalsContact CB-OE1 3.24Å; T167-E216 WeakPolarHBondContact CB-OE1 3.07Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.48Å; T167-E216 PolarHBondContact N-OE1 3.13Å; T167-E216 VanDerWaalsContact OG1-CD 3.24Å; T167-E216 PolarHBondContact OG1-OE1 3.43Å; T167-E216 PolarHBondContact OG1-OE2 3.47Å
168R95.5Very high86.2Confident224 Ų22463 Ų6385%0.84532%0.315SS*.  trans72.120.1177.7-48.7-178.2174.1-147.5-2.3115.3T165 K166T165-R168 WeakPolarHBondContact O-CA 2.95Å; T165-R168 PolarHBondContact O-N 3.05Å; T165-R168 PolarHBondContact OG1-N 2.87Å; K166-R168 VanDerWaalsContact C-N 3.27Å
169N95.6Very high84.4Confident68 Ų6864.8 Ų64.836%0.36433%0.326SS..PPolyproline II helixtrans-73.2145.4168.9-65.4-38.6000110.2T164 T165 T167 I209 E216T164-N169 CarbonylContact C-O 3.52Å; T164-N169 VanDerWaalsContact CA-O 3.25Å; T164-N169 WeakPolarHBondContact CA-O 3.2Å; T165-N169 HydrophobicContact CG2-CB 4.17Å; T165-N169 PolarHBondContact N-O 2.49Å; T165-N169 WeakPolarHBondContact OG1-CB 3.39Å; T165-N169 PolarHBondContact OG1-N 3.36Å; T167-N169 PolarHBondContact OG1-ND2 2.6Å; N169-I209 HydrophobicContact CB-CB 4.33Å; N169-I209 HydrophobicContact CB-CG2 3.64Å; N169-E216 PolarHBondContact ND2-OE2 2.72Å
170G93.8Very high82.4Confident51 Ų5169.4 Ų69.453%0.52635%0.354SS..BIsolated β-bridgetrans-76.4131.2175.400000110.9
171C91.7Very high80.4Confident8 Ų870.7 Ų70.75%0.05437%0.365CS..PPolyproline II helixtrans-67.6141.2176.8-65.40000111.3N163 N193 C207 N208N163-C171 HydrophobicContact CB-CB 4.45Å; N163-C171 VanDerWaalsContact O-CB 3.31Å; N163-C171 WeakPolarHBondContact O-CB 3.31Å; N163-C171 PolarHBondContact O-N 3.34Å; N163-C171 PolarHBondContact O-SG 2.99Å; C171-N193 HydrophobicContact CB-CB 3.96Å; C171-N193 WeakPolarHBondContact CB-O 3.45Å; C171-N193 WeakPolarHBondContact O-CB 3.4Å; C171-N193 PolarHBondContact O-ND2 3.28Å; C171-C207 VanDerWaalsContact CA-SG 3.51Å; C171-C207 HydrophobicContact CB-CB 3.53Å; C171-C207 WeakPolarHBondContact CB-SG 3.46Å; C171-C207 WeakPolarHBondContact SG-CB 3.49Å; C171-C207 CovalentContact SG-SG 2.02Å; C171-C207 PolarHBondContact SG-SG 3.09Å; C171-N208 CarbonylContact C-O 3.55Å
172L86.9Confident78.5Confident48 Ų4877.3 Ų77.325%0.25140%0.402SS..PPolyproline II helixtrans-75.5151.8165.2-69.2-177.2000111.2N193 N208 I209 D210 P211L172-N193 VanDerWaalsContact C-CB 3.43Å; L172-N193 WeakPolarHBondContact O-CB 3.21Å; L172-N208 HydrophobicContact CB-CB 4.4Å; L172-N208 WeakPolarHBondContact CB-O 3.34Å; L172-N208 HydrophobicContact CD1-CB 4.48Å; L172-N208 PolarHBondContact N-O 3.08Å; L172-I209 WeakPolarHBondContact CG-O 3.24Å; L172-D210 WeakPolarHBondContact CD1-O 3.13Å; L172-P211 HydrophobicContact CD1-CG 4.07Å
173R81.5Confident76.7Confident88 Ų8877 Ų7733%0.33240%0.402SS..PPolyproline II helixtrans-63142.1170.7-68.9166.842.8158.4-2.8110.6D175 K176 H192 N193R173-D175 WeakPolarHBondContact CB-OD1 3.47Å; R173-D175 IonicContact CZ-OD1 3.09Å; R173-D175 IonicContact CZ-OD2 3.95Å; R173-D175 IonicContact NE-OD1 3.97Å; R173-D175 PolarHBondContact NE-OD1 3.24Å; R173-D175 IonicContact NE-OD2 2.66Å; R173-D175 VanDerWaalsContact NH2-CG 3.3Å; R173-D175 IonicContact NH2-OD1 3.21Å; R173-D175 PolarHBondContact NH2-OD1 3.15Å; R173-D175 IonicContact NH2-OD2 2.66Å; R173-D175 PolarHBondContact NH2-OD2 3.28Å; R173-D175 PolarHBondContact O-N 2.81Å; R173-K176 HydrophobicContact CB-CG 4.05Å; R173-K176 WeakPolarHBondContact O-CB 2.91Å; R173-K176 PolarHBondContact O-N 3.46Å; R173-H192 WeakPolarHBondContact CA-O 3.41Å; R173-N193 HydrophobicContact CG-CB 4.28Å
174W76.6Confident74.7Confident15 Ų1574.6 Ų74.66%0.05739%0.39CS..G310 helixtrans-61.3-27.4-177.8-66.7105.8000113.3K176 H192 Y194 R196 Y198 W206 C207W174-K176 VanDerWaalsContact C-N 3.31Å; W174-K176 PolarHBondContact O-N 2.89Å; W174-H192 AromaticContact CD1-CE1 3.63Å; W174-H192 AromaticContact CD1-ND1 3.33Å; W174-H192 VanDerWaalsContact CD1-ND1 3.33Å; W174-H192 PolarHBondContact N-O 3.35Å; W174-H192 VanDerWaalsContact N-O 3.1Å; W174-H192 AromaticContact NE1-CE1 3.66Å; W174-H192 AromaticContact NE1-ND1 3.55Å; W174-Y194 VanDerWaalsContact CZ2-O 3.3Å; W174-Y194 WeakPolarHBondContact CZ2-O 2.97Å; W174-Y194 PolarHBondContact NE1-O 2.82Å; W174-R196 HydrophobicContact CH2-CB 4.29Å; W174-R196 HydrophobicContact CZ2-CB 3.83Å; W174-R196 HydrophobicContact CZ2-CG 4Å; W174-Y198 HydrophobicContact CH2-CD2 4.1Å; W174-Y198 HydrophobicContact CH2-CE2 4.25Å; W174-Y198 HydrophobicContact CZ2-CE2 4.26Å; W174-Y198 HydrophobicContact CZ3-CD2 4.18Å; W174-Y198 HydrophobicContact CZ3-CE2 4.39Å; W174-W206 HydrophobicContact CH2-CD2 4.36Å; W174-W206 HydrophobicContact CH2-CE3 4.14Å; W174-W206 HydrophobicContact CH2-CH2 4.27Å; W174-W206 HydrophobicContact CH2-CZ2 4.48Å; W174-W206 HydrophobicContact CH2-CZ3 4.08Å; W174-W206 WeakPolarHBondContact CH2-O 3.4Å; W174-W206 HydrophobicContact CZ3-CE3 4.33Å; W174-W206 AromaticContact CZ3-CH2 3.78Å; W174-W206 HydrophobicContact CZ3-CH2 3.78Å; W174-W206 HydrophobicContact CZ3-CZ2 4.27Å; W174-W206 AromaticContact CZ3-CZ3 3.8Å; W174-W206 HydrophobicContact CZ3-CZ3 3.8Å; W174-C207 HydrophobicContact CZ2-CB 4.34Å
175D72.3Confident72.4Confident89 Ų8975.8 Ų75.848%0.47639%0.388SS..G310 helixtrans-82-3.9177.972-46.1000114.4R173R173-D175 WeakPolarHBondContact CB-OD1 3.47Å; R173-D175 IonicContact CZ-OD1 3.09Å; R173-D175 IonicContact CZ-OD2 3.95Å; R173-D175 IonicContact NE-OD1 3.97Å; R173-D175 PolarHBondContact NE-OD1 3.24Å; R173-D175 IonicContact NE-OD2 2.66Å; R173-D175 VanDerWaalsContact NH2-CG 3.3Å; R173-D175 IonicContact NH2-OD1 3.21Å; R173-D175 PolarHBondContact NH2-OD1 3.15Å; R173-D175 IonicContact NH2-OD2 2.66Å; R173-D175 PolarHBondContact NH2-OD2 3.28Å; R173-D175 PolarHBondContact O-N 2.81Å
176K74.4Confident70.1Confident133 Ų13377 Ų7758%0.57839%0.394SS*.G310 helixtrans-86.2-20.9178.7-70.7-68.6-176.4-175.80113.7R173 W174R173-K176 HydrophobicContact CB-CG 4.05Å; R173-K176 WeakPolarHBondContact O-CB 2.91Å; R173-K176 PolarHBondContact O-N 3.46Å; W174-K176 VanDerWaalsContact C-N 3.31Å; W174-K176 PolarHBondContact O-N 2.89Å
177K66.7Low67.8Low29 Ų2975.6 Ų75.613%0.12639%0.39CS..SBendtrans-89.9136.4170.5-161.7163.3-173.7168.40107.4V179 N208 P211K177-V179 HydrophobicContact CB-CG2 4.02Å; K177-V179 HydrophobicContact CG-CG2 4.45Å; K177-V179 PolarHBondContact O-N 3.45Å; K177-N208 HydrophobicContact CD-CB 4.48Å; K177-N208 WeakPolarHBondContact CD-OD1 3.35Å; K177-N208 PolarHBondContact NZ-OD1 3.24Å; K177-N208 VanDerWaalsContact NZ-OD1 3.11Å; K177-P211 WeakPolarHBondContact CE-O 3.42Å
178N53.6Low65.6Low162 Ų16272.7 Ų72.787%0.86637%0.372SS*.  trans-6973.1169-90.4-25.6000108.4V180N178-V180 PolarHBondContact O-N 2.84Å
179V53Low63.4Low44 Ų4462.5 Ų62.527%0.26734%0.336SS..  trans-74.6116.3170.9-1600000105.7K177 A181 L183K177-V179 HydrophobicContact CB-CG2 4.02Å; K177-V179 HydrophobicContact CG-CG2 4.45Å; K177-V179 PolarHBondContact O-N 3.45Å; V179-A181 PolarHBondContact O-N 2.99Å; V179-L183 HydrophobicContact CG1-CD1 4.4Å; V179-L183 HydrophobicContact CG1-CG 4.46Å
180V43.3Very low61.3Low129 Ų12962.4 Ų62.478%0.78234%0.34SS*.SBendtrans-61.5-13.1-176.4-175.90000112.1N178N178-V180 PolarHBondContact O-N 2.84Å
181A46.8Very low59.8Low27 Ų2765.8 Ų65.822%0.22334%0.344CS..SBendtrans-107.3138.6179.100000112.8V179 L183 I291V179-A181 PolarHBondContact O-N 2.99Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.26Å; A181-I291 HydrophobicContact CB-CD1 3.82Å
182N49Very low59Low172 Ų17266 Ų6692%0.9234%0.344SS*.  trans-63.289.2157.6-72-31.1000108.1
183L53.6Low58.9Low28 Ų2865.4 Ų65.415%0.14734%0.342CS..  trans-58.1144.7169.5-68.7170.9000109V179 A181 W185 T188 I288V179-L183 HydrophobicContact CG1-CD1 4.4Å; V179-L183 HydrophobicContact CG1-CG 4.46Å; A181-L183 VanDerWaalsContact C-N 3.25Å; A181-L183 PolarHBondContact O-N 3.26Å; L183-W185 PolarHBondContact O-N 2.95Å; L183-T188 HydrophobicContact CB-CG2 3.45Å; L183-T188 VanDerWaalsContact CB-CG2 3.45Å; L183-T188 HydrophobicContact CD1-CG2 3.71Å; L183-T188 HydrophobicContact CG-CG2 4.22Å; L183-I288 HydrophobicContact CD2-CD1 3.63Å; L183-I288 HydrophobicContact CD2-CG1 3.98Å; L183-I288 HydrophobicContact CD2-CG2 4.44Å
184P51.4Low59.3Low13 Ų1363.8 Ų63.88%0.08434%0.336CS..  trans-56.1126.1179.2-24.133.9000110.6E186 I187 T188 W281 P284P184-E186 VanDerWaalsContact C-OE2 3.29Å; P184-E186 WeakPolarHBondContact CB-OE2 3.42Å; P184-E186 PolarHBondContact O-N 3.34Å; P184-E186 VanDerWaalsContact O-N 3.1Å; P184-I187 HydrophobicContact CB-CD1 4.41Å; P184-I187 HydrophobicContact CB-CG1 4.3Å; P184-I187 HydrophobicContact CG-CD1 4.42Å; P184-I187 PolarHBondContact O-N 3.24Å; P184-T188 PolarHBondContact O-N 3.13Å; P184-T188 PolarHBondContact O-OG1 2.8Å; P184-W281 HydrophobicContact CB-CZ2 3.87Å; P184-P284 HydrophobicContact CG-CB 4.26Å; P184-P284 HydrophobicContact CG-CG 3.25Å
185W47.8Very low60Low85 Ų8563.1 Ų63.132%0.32233%0.333SS..Hα-helixtrans-63.2-17.3-176.673.4-86.7000112.2M110 P112 L115 L183 T188 G189M110-W185 HydrophobicContact CB-CH2 4.37Å; P112-W185 VanDerWaalsContact CA-CZ3 3.47Å; P112-W185 HydrophobicContact CB-CE3 3.51Å; P112-W185 HydrophobicContact CB-CH2 4.44Å; P112-W185 HydrophobicContact CB-CZ3 3.27Å; P112-W185 HydrophobicContact CG-CE3 3.46Å; P112-W185 VanDerWaalsContact CG-CE3 3.46Å; P112-W185 HydrophobicContact CG-CZ3 3.43Å; P112-W185 VanDerWaalsContact CG-CZ3 3.43Å; L115-W185 HydrophobicContact CD1-CH2 3.46Å; L115-W185 VanDerWaalsContact CD1-CH2 3.46Å; L115-W185 HydrophobicContact CD1-CZ2 3.91Å; L115-W185 HydrophobicContact CD1-CZ3 3.91Å; L115-W185 HydrophobicContact CG-CH2 4.23Å; L183-W185 PolarHBondContact O-N 2.95Å; W185-T188 WeakPolarHBondContact CA-OG1 3.46Å; W185-G189 CarbonylContact O-C 3.59Å; W185-G189 WeakPolarHBondContact O-CA 3.22Å; W185-G189 PolarHBondContact O-N 3.45Å
186E47.1Very low60.8Low30 Ų3058.9 Ų58.914%0.1431%0.311CS..Hα-helixtrans-83.5-26.7-176-55.694.5151.500111.8L115 P184 W281L115-E186 HydrophobicContact CD1-CB 3.88Å; L115-E186 HydrophobicContact CD1-CG 3.63Å; P184-E186 VanDerWaalsContact C-OE2 3.29Å; P184-E186 WeakPolarHBondContact CB-OE2 3.42Å; P184-E186 PolarHBondContact O-N 3.34Å; P184-E186 VanDerWaalsContact O-N 3.1Å; E186-W281 HydrophobicContact CB-CH2 3.27Å; E186-W281 HydrophobicContact CB-CZ2 3.65Å; E186-W281 HydrophobicContact CB-CZ3 4.39Å; E186-W281 HydrophobicContact CG-CH2 3.02Å; E186-W281 HydrophobicContact CG-CZ2 3.58Å; E186-W281 HydrophobicContact CG-CZ3 3.77Å; E186-W281 WeakPolarHBondContact OE1-CH2 3.45Å; E186-W281 WeakPolarHBondContact OE1-CZ2 3.38Å; E186-W281 WeakPolarHBondContact OE1-CZ3 3.42Å; E186-W281 WeakPolarHBondContact OE2-CH2 3.34Å; E186-W281 WeakPolarHBondContact OE2-CZ2 3.48Å
187I48.6Very low61.4Low62 Ų6253.7 Ų53.732%0.31829%0.289SS..Hα-helixtrans-95.5-35.9174.1-41.8176.9000110P184 G189 H192 R196 Y198P184-I187 HydrophobicContact CB-CD1 4.41Å; P184-I187 HydrophobicContact CB-CG1 4.3Å; P184-I187 HydrophobicContact CG-CD1 4.42Å; P184-I187 PolarHBondContact O-N 3.24Å; I187-G189 VanDerWaalsContact C-N 3.31Å; I187-H192 PolarHBondContact O-NE2 3.37Å; I187-R196 HydrophobicContact CG2-CG 4.5Å; I187-R196 PolarHBondContact O-NE 2.89Å; I187-Y198 WeakPolarHBondContact CA-OH 3.05Å; I187-Y198 HydrophobicContact CB-CE1 3.56Å; I187-Y198 WeakPolarHBondContact CB-OH 3.45Å; I187-Y198 HydrophobicContact CD1-CE1 3.94Å; I187-Y198 HydrophobicContact CG1-CE1 4.34Å; I187-Y198 HydrophobicContact CG2-CD1 4.45Å; I187-Y198 HydrophobicContact CG2-CE1 3.31Å; I187-Y198 VanDerWaalsContact CG2-CZ 3.41Å; I187-Y198 WeakPolarHBondContact CG2-OH 3.25Å; I187-Y198 PolarHBondContact O-OH 3.14Å
188T49.6Very low61.8Low21 Ų2152.9 Ų52.913%0.12929%0.286CS..Hα-helixtrans-83.4-7.5175.752.70000113.9L183 P184 W185 H192 Y198L183-T188 HydrophobicContact CB-CG2 3.45Å; L183-T188 VanDerWaalsContact CB-CG2 3.45Å; L183-T188 HydrophobicContact CD1-CG2 3.71Å; L183-T188 HydrophobicContact CG-CG2 4.22Å; P184-T188 PolarHBondContact O-N 3.13Å; P184-T188 PolarHBondContact O-OG1 2.8Å; W185-T188 WeakPolarHBondContact CA-OG1 3.46Å; T188-H192 PolarHBondContact O-CD2 2.93Å; T188-H192 PolarHBondContact O-CE1 2.96Å; T188-H192 VanDerWaalsContact O-CE1 3.23Å; T188-H192 PolarHBondContact O-NE2 3.12Å; T188-Y198 WeakPolarHBondContact CA-OH 3.35Å; T188-Y198 HydrophobicContact CG2-CE2 4.13Å; T188-Y198 WeakPolarHBondContact CG2-OH 3.45Å; T188-Y198 PolarHBondContact N-OH 3.49Å
189G49.3Very low62.7Low10 Ų1045.5 Ų45.510%0.10325%0.248CC..  trans50.1-165.5179.400000112.7W185 I187 H192W185-G189 CarbonylContact O-C 3.59Å; W185-G189 WeakPolarHBondContact O-CA 3.22Å; W185-G189 PolarHBondContact O-N 3.45Å; I187-G189 VanDerWaalsContact C-N 3.31Å; G189-H192 PolarHBondContact N-NE2 2.95Å
190P50.9Low64Low67 Ų6745.3 Ų45.344%0.43525%0.245SC..SBendtrans-70.6145.4163.731-22.6000105.9P112 H192P112-P190 HydrophobicContact CB-CG 4.48Å; P112-P190 HydrophobicContact CG-CB 3.99Å; P112-P190 VanDerWaalsContact CG-CD 3.45Å; P112-P190 HydrophobicContact CG-CG 3.9Å; P190-H192 WeakPolarHBondContact O-CB 3.43Å; P190-H192 PolarHBondContact O-CD2 3.41Å; P190-H192 PolarHBondContact O-N 2.04Å
191I62Low65.8Low121 Ų12141 Ų4162%0.62122%0.215SC*.SBendtrans9.282.7158.3-73.8173000113.5
192H74.7Confident67.8Low12 Ų1245.2 Ų45.26%0.05623%0.23CC..  trans-143172.5178.87354.4000111.7R173 W174 I187 T188 G189 P190 Y194 R196R173-H192 WeakPolarHBondContact CA-O 3.41Å; W174-H192 AromaticContact CD1-CE1 3.63Å; W174-H192 AromaticContact CD1-ND1 3.33Å; W174-H192 VanDerWaalsContact CD1-ND1 3.33Å; W174-H192 PolarHBondContact N-O 3.35Å; W174-H192 VanDerWaalsContact N-O 3.1Å; W174-H192 AromaticContact NE1-CE1 3.66Å; W174-H192 AromaticContact NE1-ND1 3.55Å; I187-H192 PolarHBondContact O-NE2 3.37Å; T188-H192 PolarHBondContact O-CD2 2.93Å; T188-H192 PolarHBondContact O-CE1 2.96Å; T188-H192 VanDerWaalsContact O-CE1 3.23Å; T188-H192 PolarHBondContact O-NE2 3.12Å; G189-H192 PolarHBondContact N-NE2 2.95Å; P190-H192 WeakPolarHBondContact O-CB 3.43Å; P190-H192 PolarHBondContact O-CD2 3.41Å; P190-H192 PolarHBondContact O-N 2.04Å; H192-Y194 HydrophobicContact CB-CD2 3.7Å; H192-Y194 HydrophobicContact CB-CE2 3.64Å; H192-Y194 HydrophobicContact CB-CG 4.37Å; H192-Y194 AromaticContact CD2-CD2 3.5Å; H192-Y194 VanDerWaalsContact CD2-CD2 3.5Å; H192-Y194 WeakPolarHBondContact CD2-CD2 3.44Å; H192-Y194 AromaticContact CD2-CE2 3.85Å; H192-Y194 AromaticContact CE1-CD2 3.87Å; H192-Y194 AromaticContact CG-CD2 3.4Å; H192-Y194 AromaticContact CG-CE2 3.79Å; H192-Y194 AromaticContact ND1-CD2 3.63Å; H192-Y194 PolarHBondContact ND1-N 2.66Å; H192-Y194 AromaticContact NE2-CD2 3.74Å; H192-R196 PolarHBondContact NE2-NH2 3.13Å
193N85.8Confident69.9Low36 Ų3640.8 Ų40.819%0.19320%0.204CC..  trans-128.219.8179.964.6-19.5000112.6N163 C171 L172 R173N163-N193 WeakPolarHBondContact CB-OD1 3.14Å; C171-N193 HydrophobicContact CB-CB 3.96Å; C171-N193 WeakPolarHBondContact CB-O 3.45Å; C171-N193 WeakPolarHBondContact O-CB 3.4Å; C171-N193 PolarHBondContact O-ND2 3.28Å; L172-N193 VanDerWaalsContact C-CB 3.43Å; L172-N193 WeakPolarHBondContact O-CB 3.21Å; R173-N193 HydrophobicContact CG-CB 4.28Å
194Y88.3Confident71.8Confident55 Ų5539.4 Ų39.422%0.21620%0.197CC..  trans-66.5144.4179.6-51.1-48.5000112Y43 F161 R162 N163 W174 H192Y43-Y194 PolarHBondContact OH-OH 3.09Å; F161-Y194 HydrophobicContact CB-CD1 4.29Å; F161-Y194 HydrophobicContact CB-CE1 4.12Å; F161-Y194 HydrophobicContact CD1-CD2 4.44Å; F161-Y194 HydrophobicContact CD1-CE1 4.44Å; F161-Y194 AromaticContact CD1-CE2 4Å; F161-Y194 HydrophobicContact CD1-CE2 4Å; F161-Y194 WeakPolarHBondContact O-CD1 3.49Å; F161-Y194 WeakPolarHBondContact O-CE1 3.35Å; R162-Y194 CarbonylContact O-C 3.46Å; R162-Y194 VanDerWaalsContact O-CA 3.22Å; R162-Y194 WeakPolarHBondContact O-CA 3.43Å; N163-Y194 HydrophobicContact CB-CD1 4.11Å; W174-Y194 VanDerWaalsContact CZ2-O 3.3Å; W174-Y194 WeakPolarHBondContact CZ2-O 2.97Å; W174-Y194 PolarHBondContact NE1-O 2.82Å; H192-Y194 HydrophobicContact CB-CD2 3.7Å; H192-Y194 HydrophobicContact CB-CE2 3.64Å; H192-Y194 HydrophobicContact CB-CG 4.37Å; H192-Y194 AromaticContact CD2-CD2 3.5Å; H192-Y194 VanDerWaalsContact CD2-CD2 3.5Å; H192-Y194 WeakPolarHBondContact CD2-CD2 3.44Å; H192-Y194 AromaticContact CD2-CE2 3.85Å; H192-Y194 AromaticContact CE1-CD2 3.87Å; H192-Y194 AromaticContact CG-CD2 3.4Å; H192-Y194 AromaticContact CG-CE2 3.79Å; H192-Y194 AromaticContact ND1-CD2 3.63Å; H192-Y194 PolarHBondContact ND1-N 2.66Å; H192-Y194 AromaticContact NE2-CD2 3.74Å
195C91.5Very high73.8Confident0 Ų038.8 Ų38.80%019%0.193CC..  trans-58.2136.7176.2-60.80000111.4Y158 R162 P205 W206 C218Y158-C195 HydrophobicContact CD1-CB 4.29Å; Y158-C195 WeakPolarHBondContact CD1-O 3.39Å; Y158-C195 HydrophobicContact CE1-CB 4.2Å; R162-C195 PolarHBondContact O-N 3.07Å; R162-C195 PolarHBondContact O-SG 3.02Å; C195-P205 HydrophobicContact CB-CB 4.34Å; C195-W206 WeakPolarHBondContact CA-O 3.22Å; C195-C218 HydrophobicContact CB-CB 3.55Å; C195-C218 WeakPolarHBondContact CB-SG 3.28Å; C195-C218 WeakPolarHBondContact SG-CB 3.46Å; C195-C218 CovalentContact SG-SG 2.01Å; C195-C218 PolarHBondContact SG-SG 3.27Å
196R88.9Confident75.9Confident1 Ų135.4 Ų35.40%0.00418%0.18CC..BIsolated β-bridgetrans-144.5156.4179-64.3-63.8179.3-105.20.8109.6G160 W174 I187 H192 Y198 P205 W206G160-R196 PolarHBondContact O-NH1 3.26Å; W174-R196 HydrophobicContact CH2-CB 4.29Å; W174-R196 HydrophobicContact CZ2-CB 3.83Å; W174-R196 HydrophobicContact CZ2-CG 4Å; I187-R196 HydrophobicContact CG2-CG 4.5Å; I187-R196 PolarHBondContact O-NE 2.89Å; H192-R196 PolarHBondContact NE2-NH2 3.13Å; R196-Y198 HydrophobicContact CB-CD2 3.55Å; R196-Y198 HydrophobicContact CB-CE2 3.19Å; R196-Y198 HydrophobicContact CB-CG 4.38Å; R196-Y198 HydrophobicContact CG-CD2 4.4Å; R196-Y198 HydrophobicContact CG-CE2 3.55Å; R196-P205 CarbonylContact O-C 3.58Å; R196-P205 WeakPolarHBondContact O-CA 3.36Å; R196-W206 PolarHBondContact N-O 3.27Å; R196-W206 VanDerWaalsContact O-CD1 3.3Å; R196-W206 PolarHBondContact O-N 3.28Å; R196-W206 VanDerWaalsContact O-O 3.09Å
197N86.8Confident78Confident23 Ų2334 Ų3412%0.12317%0.173CC..  trans-110.463.2179.9-168.720.2000110.9I153 Q154 T156 Y201 G204 P205I153-N197 PolarHBondContact O-ND2 2.96Å; Q154-N197 PolarHBondContact O-ND2 3.32Å; T156-N197 VanDerWaalsContact O-CB 3.26Å; T156-N197 WeakPolarHBondContact O-CB 3.04Å; T156-N197 PolarHBondContact O-ND2 3.46Å; T156-N197 VanDerWaalsContact O-ND2 3.1Å; N197-Y201 PolarHBondContact OD1-N 2.76Å; N197-G204 PolarHBondContact OD1-O 3.04Å; N197-P205 HydrophobicContact CB-CB 4.33Å; N197-P205 HydrophobicContact CB-CG 4.05Å
198Y77Confident79.8Confident13 Ų1331.2 Ų31.25%0.05116%0.159CC..G310 helixtrans-76.4144.6175.3-60.1-67.6000111.1W174 I187 T188 R196 D200 W206 I288 M292W174-Y198 HydrophobicContact CH2-CD2 4.1Å; W174-Y198 HydrophobicContact CH2-CE2 4.25Å; W174-Y198 HydrophobicContact CZ2-CE2 4.26Å; W174-Y198 HydrophobicContact CZ3-CD2 4.18Å; W174-Y198 HydrophobicContact CZ3-CE2 4.39Å; I187-Y198 WeakPolarHBondContact CA-OH 3.05Å; I187-Y198 HydrophobicContact CB-CE1 3.56Å; I187-Y198 WeakPolarHBondContact CB-OH 3.45Å; I187-Y198 HydrophobicContact CD1-CE1 3.94Å; I187-Y198 HydrophobicContact CG1-CE1 4.34Å; I187-Y198 HydrophobicContact CG2-CD1 4.45Å; I187-Y198 HydrophobicContact CG2-CE1 3.31Å; I187-Y198 VanDerWaalsContact CG2-CZ 3.41Å; I187-Y198 WeakPolarHBondContact CG2-OH 3.25Å; I187-Y198 PolarHBondContact O-OH 3.14Å; T188-Y198 WeakPolarHBondContact CA-OH 3.35Å; T188-Y198 HydrophobicContact CG2-CE2 4.13Å; T188-Y198 WeakPolarHBondContact CG2-OH 3.45Å; T188-Y198 PolarHBondContact N-OH 3.49Å; R196-Y198 HydrophobicContact CB-CD2 3.55Å; R196-Y198 HydrophobicContact CB-CE2 3.19Å; R196-Y198 HydrophobicContact CB-CG 4.38Å; R196-Y198 HydrophobicContact CG-CD2 4.4Å; R196-Y198 HydrophobicContact CG-CE2 3.55Å; Y198-D200 PolarHBondContact O-N 3.32Å; Y198-W206 PolarHBondContact O-NE1 3.33Å; Y198-W206 VanDerWaalsContact O-NE1 3.14Å; Y198-I288 HydrophobicContact CD1-CD1 4.46Å; Y198-M292 VanDerWaalsContact O-CE 3.31Å; Y198-M292 WeakPolarHBondContact O-CE 3.25Å
199G71.3Confident81.7Confident7 Ų732.5 Ų32.57%0.07217%0.165CC..G310 helixtrans65.622.9177.300000114.8Y201 M292G199-Y201 PolarHBondContact O-N 3.23Å; G199-M292 VanDerWaalsContact CA-SD 3.55Å
200D79.5Confident83.5Confident40 Ų4035 Ų3521%0.21418%0.175CC..G310 helixtrans5250.4-179.9-54.1-31.2000112.8Q154 Y198 E202 R289Q154-D200 VanDerWaalsContact O-CA 3.27Å; Q154-D200 WeakPolarHBondContact O-CA 3.28Å; Y198-D200 PolarHBondContact O-N 3.32Å; D200-E202 PolarHBondContact O-N 2.68Å; D200-R289 IonicContact OD2-CZ 2.79Å; D200-R289 IonicContact OD2-NE 2.72Å; D200-R289 PolarHBondContact OD2-NE 3.28Å; D200-R289 IonicContact OD2-NH1 3.45Å; D200-R289 PolarHBondContact OD2-NH1 3.4Å; D200-R289 IonicContact OD2-NH2 3.28Å; D200-R289 PolarHBondContact OD2-NH2 2.07Å
201Y82.4Confident84.8Confident39 Ų3935.3 Ų35.315%0.15318%0.178CC..  trans-55.2136.2-177.8-175.9-128.4000110.6N197 G199 H203 G204 W206 R215N197-Y201 PolarHBondContact OD1-N 2.76Å; G199-Y201 PolarHBondContact O-N 3.23Å; Y201-H203 HydrophobicContact CD1-CB 4Å; Y201-H203 HydrophobicContact CE1-CB 3.73Å; Y201-H203 AromaticContact CZ-CD2 3.89Å; Y201-H203 PolarHBondContact O-N 3.43Å; Y201-G204 WeakPolarHBondContact CD1-O 3.11Å; Y201-G204 PolarHBondContact O-N 3.43Å; Y201-W206 HydrophobicContact CD1-CB 3.65Å; Y201-W206 AromaticContact CD1-CD1 3.53Å; Y201-W206 AromaticContact CD1-CG 3.67Å; Y201-W206 HydrophobicContact CD1-CG 3.67Å; Y201-W206 HydrophobicContact CE1-CB 3.9Å; Y201-W206 HydrophobicContact CE1-CG 4.24Å; Y201-W206 AromaticContact CG-CD1 3.63Å; Y201-W206 HydrophobicContact CG-CG 4.11Å; Y201-R215 HydrophobicContact CE1-CB 4.44Å; Y201-R215 HydrophobicContact CE2-CB 4.46Å; Y201-R215 PolarHBondContact OH-O 3.42Å
202E89.3Confident85.5Confident114 Ų11438.5 Ų38.553%0.53319%0.19SC..THydrogen-bonded Turntrans-62.8-18.9-169.958.6170.6-174.700114.2D200D200-E202 PolarHBondContact O-N 2.68Å
203H92.5Very high85.5Confident79 Ų7938.5 Ų38.537%0.36619%0.193SC..THydrogen-bonded Turntrans-106.912.7178-55.4-35000113.5Y201 A217Y201-H203 HydrophobicContact CD1-CB 4Å; Y201-H203 HydrophobicContact CE1-CB 3.73Å; Y201-H203 AromaticContact CZ-CD2 3.89Å; Y201-H203 PolarHBondContact O-N 3.43Å; H203-A217 HydrophobicContact CB-CB 3.8Å
204G93Very high85.2Confident0 Ų040.7 Ų40.70%021%0.209CC..SBendtrans78-154.2175.900000113.6I153 N197 Y201 W206I153-G204 WeakPolarHBondContact O-CA 3.44Å; N197-G204 PolarHBondContact OD1-O 3.04Å; Y201-G204 WeakPolarHBondContact CD1-O 3.11Å; Y201-G204 PolarHBondContact O-N 3.43Å; G204-W206 PolarHBondContact O-N 2.7Å
205P93.7Very high85.1Confident0 Ų038.9 Ų38.90%020%0.202CC..SBendtrans-52.5127.8-178.5-22.731.9000112.3I148 T156 Y158 C195 R196 N197 C218 F219I148-P205 HydrophobicContact CD1-CG 3.55Å; T156-P205 HydrophobicContact CG2-CG 4.5Å; Y158-P205 HydrophobicContact CD1-CB 4.34Å; Y158-P205 HydrophobicContact CG-CB 4.45Å; Y158-P205 HydrophobicContact CG-CG 4.28Å; C195-P205 HydrophobicContact CB-CB 4.34Å; R196-P205 CarbonylContact O-C 3.58Å; R196-P205 WeakPolarHBondContact O-CA 3.36Å; N197-P205 HydrophobicContact CB-CB 4.33Å; N197-P205 HydrophobicContact CB-CG 4.05Å; P205-C218 WeakPolarHBondContact O-CB 3.43Å; P205-C218 PolarHBondContact O-N 2.9Å; P205-F219 HydrophobicContact CB-CD2 4.05Å; P205-F219 HydrophobicContact CB-CE2 4.09Å; P205-F219 HydrophobicContact CG-CD2 4.18Å; P205-F219 HydrophobicContact CG-CE2 4.33Å
206W92.3Very high85.2Confident14 Ų1440 Ų405%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-137.5170.6-172.263.9-86.9000111W174 C195 R196 Y198 Y201 G204 R215 E216 M292W174-W206 HydrophobicContact CH2-CD2 4.36Å; W174-W206 HydrophobicContact CH2-CE3 4.14Å; W174-W206 HydrophobicContact CH2-CH2 4.27Å; W174-W206 HydrophobicContact CH2-CZ2 4.48Å; W174-W206 HydrophobicContact CH2-CZ3 4.08Å; W174-W206 WeakPolarHBondContact CH2-O 3.4Å; W174-W206 HydrophobicContact CZ3-CE3 4.33Å; W174-W206 AromaticContact CZ3-CH2 3.78Å; W174-W206 HydrophobicContact CZ3-CH2 3.78Å; W174-W206 HydrophobicContact CZ3-CZ2 4.27Å; W174-W206 AromaticContact CZ3-CZ3 3.8Å; W174-W206 HydrophobicContact CZ3-CZ3 3.8Å; C195-W206 WeakPolarHBondContact CA-O 3.22Å; R196-W206 PolarHBondContact N-O 3.27Å; R196-W206 VanDerWaalsContact O-CD1 3.3Å; R196-W206 PolarHBondContact O-N 3.28Å; R196-W206 VanDerWaalsContact O-O 3.09Å; Y198-W206 PolarHBondContact O-NE1 3.33Å; Y198-W206 VanDerWaalsContact O-NE1 3.14Å; Y201-W206 HydrophobicContact CD1-CB 3.65Å; Y201-W206 AromaticContact CD1-CD1 3.53Å; Y201-W206 AromaticContact CD1-CG 3.67Å; Y201-W206 HydrophobicContact CD1-CG 3.67Å; Y201-W206 HydrophobicContact CE1-CB 3.9Å; Y201-W206 HydrophobicContact CE1-CG 4.24Å; Y201-W206 AromaticContact CG-CD1 3.63Å; Y201-W206 HydrophobicContact CG-CG 4.11Å; G204-W206 PolarHBondContact O-N 2.7Å; W206-R215 HydrophobicContact CD2-CB 4.04Å; W206-R215 HydrophobicContact CD2-CG 4.2Å; W206-R215 HydrophobicContact CE3-CB 3.51Å; W206-R215 HydrophobicContact CE3-CG 3.54Å; W206-R215 VanDerWaalsContact CH2-CD 3.43Å; W206-R215 HydrophobicContact CH2-CG 3.9Å; W206-R215 HydrophobicContact CZ2-CG 4.5Å; W206-R215 HydrophobicContact CZ3-CB 3.92Å; W206-R215 VanDerWaalsContact CZ3-CD 3.44Å; W206-R215 HydrophobicContact CZ3-CG 3.38Å; W206-E216 CarbonylContact C-O 3.52Å; W206-E216 WeakPolarHBondContact CA-O 3.27Å; W206-E216 VanDerWaalsContact CB-O 3.31Å; W206-E216 WeakPolarHBondContact CB-O 3.4Å; W206-M292 HydrophobicContact CZ2-CE 3.64Å; W206-M292 HydrophobicContact CZ2-SD 4.05Å
207C89.9Confident85.6Confident0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-149.8166.8167.3680000110.2T165 C171 W174 E216T165-C207 VanDerWaalsContact CG2-SG 3.6Å; C171-C207 VanDerWaalsContact CA-SG 3.51Å; C171-C207 HydrophobicContact CB-CB 3.53Å; C171-C207 WeakPolarHBondContact CB-SG 3.46Å; C171-C207 WeakPolarHBondContact SG-CB 3.49Å; C171-C207 CovalentContact SG-SG 2.02Å; C171-C207 PolarHBondContact SG-SG 3.09Å; W174-C207 HydrophobicContact CZ2-CB 4.34Å; C207-E216 PolarHBondContact N-O 3.49Å; C207-E216 PolarHBondContact O-N 2.96Å
208N87.5Confident86.1Confident3 Ų339 Ų392%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-82.9143.5170.3-58-69.4000109.2C171 L172 K177C171-N208 CarbonylContact C-O 3.55Å; L172-N208 HydrophobicContact CB-CB 4.4Å; L172-N208 WeakPolarHBondContact CB-O 3.34Å; L172-N208 HydrophobicContact CD1-CB 4.48Å; L172-N208 PolarHBondContact N-O 3.08Å; K177-N208 HydrophobicContact CD-CB 4.48Å; K177-N208 WeakPolarHBondContact CD-OD1 3.35Å; K177-N208 PolarHBondContact NZ-OD1 3.24Å; K177-N208 VanDerWaalsContact NZ-OD1 3.11Å
209I90Very high87Confident49 Ų4938.7 Ų38.725%0.25120%0.202SC..SBendtrans-105.8-25.1173.858.1174.7000112.1T165 N169 L172 E216T165-I209 HydrophobicContact CG2-CG2 3.55Å; N169-I209 HydrophobicContact CB-CB 4.33Å; N169-I209 HydrophobicContact CB-CG2 3.64Å; L172-I209 WeakPolarHBondContact CG-O 3.24Å; I209-E216 HydrophobicContact CG2-CB 4.13Å
210D86Confident88.2Confident61 Ų6142.2 Ų42.233%0.32622%0.219SC..SBendtrans-136.6159174.651.417.7000109.3L172 E212 G213L172-D210 WeakPolarHBondContact CD1-O 3.13Å; D210-E212 VanDerWaalsContact C-N 3.29Å; D210-E212 PolarHBondContact O-N 3.47Å; D210-G213 VanDerWaalsContact CG-N 3.28Å; D210-G213 WeakPolarHBondContact OD1-CA 3.32Å; D210-G213 PolarHBondContact OD1-N 3.01Å; D210-G213 WeakPolarHBondContact OD2-CA 3.33Å
211P78Confident89Confident75 Ų7542.7 Ų42.749%0.48722%0.223SC..SBendtrans-67.9-29.6-179.1-22.335.1000113.5L172 K177L172-P211 HydrophobicContact CD1-CG 4.07Å; K177-P211 WeakPolarHBondContact CE-O 3.42Å
212E77.1Confident89.7Confident188 Ų18841.4 Ų41.488%0.87922%0.22SC*.SBendtrans-113.5-7.5-170.7-65.9-177.2177.700114.1D210D210-E212 VanDerWaalsContact C-N 3.29Å; D210-E212 PolarHBondContact O-N 3.47Å
213G74Confident90Very high12 Ų1240.1 Ų40.112%0.12422%0.221CC..SBendtrans-103.1-176.5-176.800000113.1D210D210-G213 VanDerWaalsContact CG-N 3.28Å; D210-G213 WeakPolarHBondContact OD1-CA 3.32Å; D210-G213 PolarHBondContact OD1-N 3.01Å; D210-G213 WeakPolarHBondContact OD2-CA 3.33Å
214P81.2Confident89.9Confident82 Ų8244.5 Ų44.553%0.53224%0.242SC..  trans-72.3153.2-165.229-34.8000111.7
215R86.4Confident89.8Confident16 Ų1652.1 Ų52.16%0.0628%0.282CS..EExtended strand (participates in β ladder)trans-64.6135171.6-56.2179.8-171.7125.59.7109.5Y201 W206 M292 Q295 D296Y201-R215 HydrophobicContact CE1-CB 4.44Å; Y201-R215 HydrophobicContact CE2-CB 4.46Å; Y201-R215 PolarHBondContact OH-O 3.42Å; W206-R215 HydrophobicContact CD2-CB 4.04Å; W206-R215 HydrophobicContact CD2-CG 4.2Å; W206-R215 HydrophobicContact CE3-CB 3.51Å; W206-R215 HydrophobicContact CE3-CG 3.54Å; W206-R215 VanDerWaalsContact CH2-CD 3.43Å; W206-R215 HydrophobicContact CH2-CG 3.9Å; W206-R215 HydrophobicContact CZ2-CG 4.5Å; W206-R215 HydrophobicContact CZ3-CB 3.92Å; W206-R215 VanDerWaalsContact CZ3-CD 3.44Å; W206-R215 HydrophobicContact CZ3-CG 3.38Å; R215-M292 VanDerWaalsContact CZ-CE 3.45Å; R215-Q295 VanDerWaalsContact NH2-OE1 3.17Å; R215-D296 IonicContact CZ-OD1 2.94Å; R215-D296 IonicContact NH1-OD1 3.43Å; R215-D296 PolarHBondContact NH1-OD1 2.99Å; R215-D296 IonicContact NH1-OD2 3.44Å; R215-D296 PolarHBondContact NH1-OD2 3.39Å; R215-D296 IonicContact NH2-OD1 3.02Å; R215-D296 PolarHBondContact NH2-OD1 3.35Å
216E93.1Very high89.7Confident24 Ų2456.1 Ų56.111%0.11230%0.3CS..EExtended strand (participates in β ladder)trans-116.7132.2177.8-154.2-166.1142.300111.6T165 T167 N169 W206 C207 I209T165-E216 WeakPolarHBondContact CB-OE1 3.49Å; T165-E216 HydrophobicContact CG2-CB 3.72Å; T165-E216 HydrophobicContact CG2-CG 4.06Å; T165-E216 PolarHBondContact OG1-OE1 2.95Å; T165-E216 PolarHBondContact OG1-OE2 2.99Å; T165-E216 VanDerWaalsContact OG1-OE2 3.12Å; T167-E216 VanDerWaalsContact CB-OE1 3.24Å; T167-E216 WeakPolarHBondContact CB-OE1 3.07Å; T167-E216 WeakPolarHBondContact CG2-OE1 3.48Å; T167-E216 PolarHBondContact N-OE1 3.13Å; T167-E216 VanDerWaalsContact OG1-CD 3.24Å; T167-E216 PolarHBondContact OG1-OE1 3.43Å; T167-E216 PolarHBondContact OG1-OE2 3.47Å; N169-E216 PolarHBondContact ND2-OE2 2.72Å; W206-E216 CarbonylContact C-O 3.52Å; W206-E216 WeakPolarHBondContact CA-O 3.27Å; W206-E216 VanDerWaalsContact CB-O 3.31Å; W206-E216 WeakPolarHBondContact CB-O 3.4Å; C207-E216 PolarHBondContact N-O 3.49Å; C207-E216 PolarHBondContact O-N 2.96Å; I209-E216 HydrophobicContact CG2-CB 4.13Å
217A96Very high89.8Confident4 Ų461.7 Ų61.73%0.03334%0.336CS..EExtended strand (participates in β ladder)trans-69.2145.3177.700000111.8K166 H203K166-A217 HydrophobicContact CD-CB 4.22Å; K166-A217 WeakPolarHBondContact CG-O 3.42Å; K166-A217 PolarHBondContact N-O 2.81Å; H203-A217 HydrophobicContact CB-CB 3.8Å
218C97.2Very high90Very high0 Ų063.7 Ų63.70%035%0.346CS..SBendtrans-95.7-12.8-179.1-63.40000114.9R162 C195 P205R162-C218 PolarHBondContact NH1-O 3.36Å; C195-C218 HydrophobicContact CB-CB 3.55Å; C195-C218 WeakPolarHBondContact CB-SG 3.28Å; C195-C218 WeakPolarHBondContact SG-CB 3.46Å; C195-C218 CovalentContact SG-SG 2.01Å; C195-C218 PolarHBondContact SG-SG 3.27Å; P205-C218 WeakPolarHBondContact O-CB 3.43Å; P205-C218 PolarHBondContact O-N 2.9Å
219F97.4Very high90.3Very high5 Ų566 Ų662%0.02236%0.361CS..SBendtrans-135.3152.9-178.5-60.6-89.2000110.1I142 I148 Y158 R162 P205I142-F219 HydrophobicContact CG2-CD1 3.8Å; I142-F219 HydrophobicContact CG2-CE1 3.37Å; I142-F219 HydrophobicContact CG2-CE2 4.19Å; I142-F219 HydrophobicContact CG2-CG 4.37Å; I142-F219 HydrophobicContact CG2-CZ 3.6Å; I148-F219 HydrophobicContact CD1-CB 3.78Å; I148-F219 HydrophobicContact CD1-CD2 3.74Å; I148-F219 HydrophobicContact CD1-CG 3.86Å; I148-F219 HydrophobicContact CG1-CB 3.9Å; I148-F219 HydrophobicContact CG1-CD2 4.43Å; I148-F219 HydrophobicContact CG1-CG 4.09Å; Y158-F219 HydrophobicContact CD1-CE2 4.12Å; Y158-F219 HydrophobicContact CD1-CZ 4.47Å; Y158-F219 HydrophobicContact CD2-CE2 4.13Å; Y158-F219 AromaticContact CD2-CZ 3.97Å; Y158-F219 HydrophobicContact CD2-CZ 3.97Å; Y158-F219 HydrophobicContact CE1-CE2 4.15Å; Y158-F219 HydrophobicContact CE1-CZ 4.17Å; Y158-F219 HydrophobicContact CE2-CE2 4.13Å; Y158-F219 AromaticContact CE2-CZ 3.58Å; Y158-F219 HydrophobicContact CE2-CZ 3.58Å; Y158-F219 HydrophobicContact CG-CE2 4.12Å; Y158-F219 HydrophobicContact CG-CZ 4.39Å; Y158-F219 AromaticContact CZ-CZ 3.71Å; R162-F219 HydrophobicContact CB-CZ 4.42Å; R162-F219 VanDerWaalsContact CD-CZ 3.49Å; R162-F219 VanDerWaalsContact NE-CE1 3.27Å; R162-F219 VanDerWaalsContact NE-CZ 3.34Å; R162-F219 VanDerWaalsContact NH1-CD1 3.31Å; R162-F219 VanDerWaalsContact NH1-CE1 3.29Å; P205-F219 HydrophobicContact CB-CD2 4.05Å; P205-F219 HydrophobicContact CB-CE2 4.09Å; P205-F219 HydrophobicContact CG-CD2 4.18Å; P205-F219 HydrophobicContact CG-CE2 4.33Å
220D96.4Very high90.4Very high82 Ų8269.8 Ų69.844%0.43938%0.375SS..EExtended strand (participates in β ladder)trans-83.6162.3166.4-76.4-52.9000111.2C147 I148 K166C147-D220 CarbonylContact C-O 3.59Å; C147-D220 WeakPolarHBondContact CA-O 3.49Å; C147-D220 VanDerWaalsContact CB-O 3.3Å; C147-D220 WeakPolarHBondContact CB-O 3.32Å; I148-D220 PolarHBondContact N-O 3.48Å; K166-D220 WeakPolarHBondContact CD-OD1 3.02Å; K166-D220 IonicContact NZ-OD1 2.83Å
221V96.3Very high90.7Very high50 Ų5067.5 Ų67.530%0.30336%0.362SS..EExtended strand (participates in β ladder)trans-71.8133.5165.9-178.70000108.3I148 R150 I153I148-V221 CarbonylContact O-C 3.59Å; I148-V221 WeakPolarHBondContact O-CA 3.39Å; R150-V221 HydrophobicContact CB-CG1 3.68Å; R150-V221 HydrophobicContact CG-CG1 4.23Å; I153-V221 HydrophobicContact CD1-CG2 3.44Å; I153-V221 VanDerWaalsContact CD1-CG2 3.44Å
222C97Very high91.3Very high12 Ų1270.1 Ų70.18%0.08137%0.366CS..PPolyproline II helixtrans-61.3136.3176.1-65.20000111.4C147 I148 L228C147-C222 HydrophobicContact CB-CB 3.96Å; C147-C222 WeakPolarHBondContact CB-SG 3.38Å; C147-C222 WeakPolarHBondContact SG-CA 3.38Å; C147-C222 WeakPolarHBondContact SG-CB 3.13Å; C147-C222 CovalentContact SG-SG 2.04Å; C147-C222 PolarHBondContact SG-SG 3.24Å; I148-C222 VanDerWaalsContact C-SG 3.53Å; I148-C222 PolarHBondContact N-SG 2.96Å; I148-C222 PolarHBondContact O-N 2.83Å; C222-L228 HydrophobicContact CB-CD2 4.03Å; C222-L228 VanDerWaalsContact SG-CD2 3.58Å
223P95.6Very high91.7Very high86 Ų8662.1 Ų62.156%0.55833%0.329SS*.PPolyproline II helixtrans-59141.8170.7-20.731.1000111N225 K226P223-N225 PolarHBondContact O-N 3.23Å; P223-N225 VanDerWaalsContact O-N 3.1Å; P223-K226 HydrophobicContact CB-CB 4.22Å; P223-K226 HydrophobicContact CG-CB 4.37Å; P223-K226 WeakPolarHBondContact O-CB 3.2Å; P223-K226 PolarHBondContact O-N 3.38Å
224E90.2Very high91.9Very high171 Ų17164.6 Ų64.680%0.79935%0.348SS*.THydrogen-bonded Turntrans-57.4-30.8-175.4-67.6179.8175.900113.6
225N90.2Very high91.4Very high160 Ų16064.3 Ų64.386%0.85634%0.342SS*.THydrogen-bonded Turntrans-98.711.2-178-62.1-20.9000113.4P223P223-N225 PolarHBondContact O-N 3.23Å; P223-N225 VanDerWaalsContact O-N 3.1Å
226K92.1Very high90.1Very high84 Ų8467.2 Ų67.237%0.36535%0.353SS..PPolyproline II helixtrans-79125.2180-176.8173.1178.7169.20110.1N145 P223 L228N145-K226 PolarHBondContact O-NZ 2.81Å; P223-K226 HydrophobicContact CB-CB 4.22Å; P223-K226 HydrophobicContact CG-CB 4.37Å; P223-K226 WeakPolarHBondContact O-CB 3.2Å; P223-K226 PolarHBondContact O-N 3.38Å; K226-L228 HydrophobicContact CB-CD2 4.45Å; K226-L228 HydrophobicContact CD-CD2 4.16Å; K226-L228 HydrophobicContact CG-CD2 4.12Å; K226-L228 PolarHBondContact O-N 3.17Å
227T94.4Very high88.4Confident132 Ų13266.8 Ų66.881%0.8135%0.351SS*.PPolyproline II helixtrans-67.2117.1165.3-52.30000108.8
228L94.1Very high86.3Confident42 Ų4274.7 Ų74.722%0.2238%0.38CS..PPolyproline II helixtrans-91134.1-179.4-59.2176.2000110.4N145 E149 C222 K226N145-L228 HydrophobicContact CB-CD2 4.37Å; N145-L228 WeakPolarHBondContact OD1-CA 3.4Å; E149-L228 HydrophobicContact CG-CD1 3.42Å; E149-L228 VanDerWaalsContact CG-CD1 3.42Å; C222-L228 HydrophobicContact CB-CD2 4.03Å; C222-L228 VanDerWaalsContact SG-CD2 3.58Å; K226-L228 HydrophobicContact CB-CD2 4.45Å; K226-L228 HydrophobicContact CD-CD2 4.16Å; K226-L228 HydrophobicContact CG-CD2 4.12Å; K226-L228 PolarHBondContact O-N 3.17Å
229V93.2Very high83.9Confident52 Ų5280.7 Ų80.732%0.31541%0.408SS..PPolyproline II helixtrans-77.4126.9166-177.20000107.9E144 N145E144-V229 HydrophobicContact CG-CB 4.46Å; E144-V229 HydrophobicContact CG-CG2 4.39Å; N145-V229 PolarHBondContact ND2-O 2.87Å; N145-V229 PolarHBondContact OD1-N 3Å
230K92.8Very high81.5Confident128 Ų12887.9 Ų87.956%0.55744%0.436SS*.  trans-120123171.4-63.1-166.1176.7-162.10107.4E149E149-K230 VanDerWaalsContact OE1-CE 3.26Å; E149-K230 WeakPolarHBondContact OE1-CE 3.31Å; E149-K230 IonicContact OE1-NZ 3.77Å; E149-K230 PolarHBondContact OE1-NZ 2.05Å; E149-K230 IonicContact OE2-NZ 3.33Å
231H91.9Very high79.1Confident13 Ų1389 Ų896%0.0644%0.443CS..  trans-96.7141.2171.7-59.3-91.2000109C137 S141 E144 R236C137-H231 HydrophobicContact CB-CB 4.14Å; S141-H231 PolarHBondContact OG-CD2 3.05Å; S141-H231 PolarHBondContact OG-N 3.19Å; E144-H231 IonicContact OE2-CD2 3.58Å; E144-H231 IonicContact OE2-CE1 3.36Å; E144-H231 PolarHBondContact OE2-CE1 2.96Å; E144-H231 IonicContact OE2-NE2 3.76Å; E144-H231 PolarHBondContact OE2-NE2 2.69Å; H231-R236 PolarHBondContact CE1-NH2 2.82Å; H231-R236 PolarHBondContact ND1-NH2 3.04Å
232K90Very high76.7Confident129 Ų12987.9 Ų87.956%0.56144%0.436SS*.  trans-128.2153.4160.8-65.1-171.4172-171.70109.6A234 D235K232-A234 PolarHBondContact O-N 2.76Å; K232-D235 WeakPolarHBondContact CB-OD2 3.06Å; K232-D235 PolarHBondContact N-OD2 3.36Å; K232-D235 VanDerWaalsContact N-OD2 3.13Å; K232-D235 PolarHBondContact O-N 2.76Å; K232-D235 VanDerWaalsContact O-N 3.12Å
233E86.4Confident74.4Confident21 Ų2190.5 Ų90.510%0.09845%0.454CS..Hα-helixtrans-52.9-43.7176.5-165.6179.2144.600111.5L21 D25 N28 C137 D235 N237L21-E233 HydrophobicContact CD1-CG 3.56Å; D25-E233 HydrophobicContact CB-CB 4.31Å; D25-E233 VanDerWaalsContact CG-CB 3.49Å; D25-E233 PolarHBondContact N-OE2 3.32Å; D25-E233 VanDerWaalsContact N-OE2 3.13Å; D25-E233 PolarHBondContact OD1-N 3.38Å; D25-E233 WeakPolarHBondContact OD2-CB 3.38Å; N28-E233 PolarHBondContact ND2-OE2 3.22Å; C137-E233 PolarHBondContact SG-N 2.83Å; C137-E233 VanDerWaalsContact SG-N 3.35Å; E233-D235 VanDerWaalsContact C-N 3.32Å; E233-D235 PolarHBondContact O-N 3.5Å; E233-N237 VanDerWaalsContact O-CG 3.24Å; E233-N237 PolarHBondContact O-ND2 3.15Å; E233-N237 PolarHBondContact O-OD1 3.14Å; E233-N237 VanDerWaalsContact O-OD1 3.13Å
234A78.4Confident72.3Confident63 Ų6391.9 Ų91.952%0.52146%0.461SS..Hα-helixtrans-65.8-28-178.400000114.5K232 R236K232-A234 PolarHBondContact O-N 2.76Å; A234-R236 PolarHBondContact O-N 3.07Å
235D69.9Low70.4Confident77 Ų7791.1 Ų91.141%0.41246%0.457SS..Hα-helixtrans-67.3-25.4-169-68.5-22.9000112.8K232 E233 Q239K232-D235 WeakPolarHBondContact CB-OD2 3.06Å; K232-D235 PolarHBondContact N-OD2 3.36Å; K232-D235 VanDerWaalsContact N-OD2 3.13Å; K232-D235 PolarHBondContact O-N 2.76Å; K232-D235 VanDerWaalsContact O-N 3.12Å; E233-D235 VanDerWaalsContact C-N 3.32Å; E233-D235 PolarHBondContact O-N 3.5Å; D235-Q239 VanDerWaalsContact O-CG 3.28Å; D235-Q239 WeakPolarHBondContact O-CG 3.31Å; D235-Q239 PolarHBondContact O-NE2 3.38Å
236R60.1Low68.7Low77 Ų7787.2 Ų87.229%0.29143%0.433SS..Hα-helixtrans-115.9-7.5-171.3-58.5-160-178.6-153.1-1.8114.3L22 H231 A234 W238L22-R236 HydrophobicContact CD1-CB 4.38Å; L22-R236 HydrophobicContact CD1-CG 4.43Å; L22-R236 VanDerWaalsContact CD1-NH1 3.29Å; H231-R236 PolarHBondContact CE1-NH2 2.82Å; H231-R236 PolarHBondContact ND1-NH2 3.04Å; A234-R236 PolarHBondContact O-N 3.07Å; R236-W238 PolarHBondContact O-N 3.15Å; R236-W238 VanDerWaalsContact O-N 3.14Å
237N56.6Low67.2Low15 Ų1587.3 Ų87.38%0.0845%0.445CS..THydrogen-bonded Turntrans-63.1-20.2175.9-68.9-5.5000112.4E17 L21 E233E17-N237 PolarHBondContact O-ND2 3.2Å; E17-N237 PolarHBondContact O-OD1 3.16Å; L21-N237 VanDerWaalsContact CD1-OD1 3.25Å; L21-N237 WeakPolarHBondContact CD1-OD1 3.17Å; E233-N237 VanDerWaalsContact O-CG 3.24Å; E233-N237 PolarHBondContact O-ND2 3.15Å; E233-N237 PolarHBondContact O-OD1 3.14Å; E233-N237 VanDerWaalsContact O-OD1 3.13Å
238W51.2Low65.6Low169 Ų16987.3 Ų87.364%0.6444%0.44SS*.THydrogen-bonded Turntrans-124.26.4-175.7-5695.9000115R236 Y240R236-W238 PolarHBondContact O-N 3.15Å; R236-W238 VanDerWaalsContact O-N 3.14Å; W238-Y240 VanDerWaalsContact C-N 3.28Å; W238-Y240 PolarHBondContact O-N 3.25Å
239Q47.3Very low63.8Low126 Ų12686.2 Ų86.259%0.58944%0.436SS*.  trans-73.7-13-169.9-93.1-179.118.500115.6D235D235-Q239 VanDerWaalsContact O-CG 3.28Å; D235-Q239 WeakPolarHBondContact O-CG 3.31Å; D235-Q239 PolarHBondContact O-NE2 3.38Å
240Y47Very low61.9Low156 Ų15686.2 Ų86.261%0.61244%0.437SS*.SBendtrans-96.8138.2167.3-76-88000108.4W238 T242W238-Y240 VanDerWaalsContact C-N 3.28Å; W238-Y240 PolarHBondContact O-N 3.25Å; Y240-T242 PolarHBondContact O-N 2.86Å
241D45.6Very low59.6Low107 Ų10788.8 Ų88.857%0.57245%0.451SS*.  trans-63.183163-173.7-1.1000107C243 T244D241-C243 PolarHBondContact O-N 2.77Å; D241-C243 WeakPolarHBondContact OD1-CB 3.45Å; D241-C243 PolarHBondContact OD1-N 3.45Å; D241-T244 PolarHBondContact O-N 3.09Å; D241-T244 PolarHBondContact O-OG1 3.12Å
242T46.2Very low57Low26 Ų2691.8 Ų91.816%0.1649%0.485CS..Hα-helixtrans-52.9-19.5-175.738.70000111.3Y240 H246Y240-T242 PolarHBondContact O-N 2.86Å; T242-H246 CarbonylContact O-C 3.5Å; T242-H246 VanDerWaalsContact O-C 3.23Å; T242-H246 WeakPolarHBondContact O-CA 3.23Å; T242-H246 PolarHBondContact O-N 2.92Å
243C48.3Very low54.5Low67 Ų6795.1 Ų95.145%0.45350%0.5SS..Hα-helixtrans-82.4-9-178.9-58.50000114.8D241 C250D241-C243 PolarHBondContact O-N 2.77Å; D241-C243 WeakPolarHBondContact OD1-CB 3.45Å; D241-C243 PolarHBondContact OD1-N 3.45Å; C243-C250 WeakPolarHBondContact CA-SG 3.41Å; C243-C250 WeakPolarHBondContact CB-SG 3.11Å; C243-C250 WeakPolarHBondContact SG-CB 3.37Å; C243-C250 CovalentContact SG-SG 2.07Å; C243-C250 PolarHBondContact SG-SG 2.04Å
244T52.4Low51.9Low115 Ų11599.7 Ų99.771%0.70653%0.534SS*.Hα-helixtrans-87.2-33.8173.138.30000113.7D241D241-T244 PolarHBondContact O-N 3.09Å; D241-T244 PolarHBondContact O-OG1 3.12Å
245E49.8Very low50Low154 Ų154105.8 Ų105.872%0.7255%0.549SS*.Hα-helixtrans-102.1-29.5178.8-70.8-173.616100113.6
246H54.8Low48.1Very low78 Ų78109.6 Ų109.636%0.36156%0.564SS.*  trans-14786.7-171.8-63.3-67.5000113.5R19 T242 D248 C249R19-H246 VanDerWaalsContact NH1-CG 3.28Å; R19-H246 PolarHBondContact NH2-CD2 3.17Å; R19-H246 PolarHBondContact NH2-CE1 2.98Å; R19-H246 PolarHBondContact NH2-ND1 3.3Å; R19-H246 PolarHBondContact NH2-NE2 3.25Å; T242-H246 CarbonylContact O-C 3.5Å; T242-H246 VanDerWaalsContact O-C 3.23Å; T242-H246 WeakPolarHBondContact O-CA 3.23Å; T242-H246 PolarHBondContact O-N 2.92Å; H246-D248 PolarHBondContact O-N 3.2Å; H246-C249 PolarHBondContact O-N 3.08Å
247S60.3Low46.8Very low87 Ų87112.4 Ų112.461%0.60859%0.59SS**G310 helixtrans-50-24.9-179.250.90000115.6C249 C250S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 2.82Å; S247-C250 PolarHBondContact O-N 3.31Å
248D60.2Low45.6Very low132 Ų132119 Ų11971%0.70662%0.62SS**G310 helixtrans-77.5-14.1-170.6-53.2-11.1000112.9H246H246-D248 PolarHBondContact O-N 3.2Å
249C57.6Low44.5Very low19 Ų19117.9 Ų117.913%0.12863%0.625CS.*G310 helixtrans-90.24.3176.3-83.40000114.1C16 H246 S247 Q251C16-C249 HydrophobicContact CB-CB 3.9Å; C16-C249 WeakPolarHBondContact CB-SG 3.48Å; C16-C249 WeakPolarHBondContact SG-CA 3.4Å; C16-C249 WeakPolarHBondContact SG-CB 3.31Å; C16-C249 CovalentContact SG-SG 2.05Å; C16-C249 PolarHBondContact SG-SG 2.59Å; H246-C249 PolarHBondContact O-N 3.08Å; S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 2.82Å; C249-Q251 PolarHBondContact O-N 3.45Å
250C51.9Low44Very low52 Ų52117.8 Ų117.835%0.35163%0.627SS.*  trans-91.1101.3-174.8-53.30000111.2C243 S247C243-C250 WeakPolarHBondContact CA-SG 3.41Å; C243-C250 WeakPolarHBondContact CB-SG 3.11Å; C243-C250 WeakPolarHBondContact SG-CB 3.37Å; C243-C250 CovalentContact SG-SG 2.07Å; C243-C250 PolarHBondContact SG-SG 2.04Å; S247-C250 PolarHBondContact O-N 3.31Å
251Q44.9Very low43.3Very low182 Ų182117.9 Ų117.985%0.8564%0.637SS**  trans-127.5126.6150.3-81.6-166.2-4.900110.2C249C249-Q251 PolarHBondContact O-N 3.45Å
252G38.6Very low42.7Very low75 Ų75120.7 Ų120.777%0.77365%0.646SS**  trans-50.9133.8-161.600000117.6
253K36.2Very low41.9Very low200 Ų200123.6 Ų123.687%0.8767%0.673SS**  -173.1131.8113.4-97.6170.6-176.4-178.60109.4F255K253-F255 PolarHBondContact O-N 3.47Å
254S33.3Very low41.3Very low117 Ų117126.6 Ų126.682%0.81869%0.692SS**  trans-53.7123163.2172.50000109
255F36.8Very low40.4Very low190 Ų190130.8 Ų130.883%0.83370%0.7SS**  trans-105.7118.9172.9-135.3-93.8000109.2K253K253-F255 PolarHBondContact O-N 3.47Å
256H31.3Very low39.8Very low158 Ų158130.9 Ų130.973%0.73170%0.701SS**  trans-62.2130.8165-90.9-92.8000108.5E258H256-E258 VanDerWaalsContact C-N 3.26Å; H256-E258 PolarHBondContact O-N 2.98Å
257V31.6Very low39Very low136 Ų136135.9 Ų135.982%0.82472%0.724SS**  trans-66.692.3162.81780000106.8
258E31.5Very low38Very low153 Ų153140.3 Ų140.372%0.71574%0.735SS**  trans-81.6114.2162.6-81.2-174.9162.100108H256 I260H256-E258 VanDerWaalsContact C-N 3.26Å; H256-E258 PolarHBondContact O-N 2.98Å; E258-I260 VanDerWaalsContact C-N 3.3Å; E258-I260 HydrophobicContact CB-CG1 4.33Å; E258-I260 PolarHBondContact O-N 2.77Å
259I29.8Very low36.9Very low146 Ų146141.6 Ų141.675%0.74974%0.735SS**  trans-7094.3166.1-59.8172.5000106I261I259-I261 HydrophobicContact CG2-CG1 4.25Å; I259-I261 PolarHBondContact O-N 2.89Å; I259-I261 VanDerWaalsContact O-N 3.15Å
260I34.9Very low35.8Very low123 Ų123147.2 Ų147.263%0.63175%0.754SS**  trans-77.3100.3175.5-60.7175.6000108E258 E262E258-I260 VanDerWaalsContact C-N 3.3Å; E258-I260 HydrophobicContact CB-CG1 4.33Å; E258-I260 PolarHBondContact O-N 2.77Å; I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 HydrophobicContact CG2-CB 3.63Å; I260-E262 HydrophobicContact CG2-CG 3.98Å; I260-E262 PolarHBondContact O-N 2.84Å
261I32.4Very low35.2Very low159 Ų159148.1 Ų148.182%0.81576%0.761SS**  trans-89.576.1156.7-52.6175.1000106.1I259I259-I261 HydrophobicContact CG2-CG1 4.25Å; I259-I261 PolarHBondContact O-N 2.89Å; I259-I261 VanDerWaalsContact O-N 3.15Å
262E33.3Very low34.9Very low165 Ų165145.6 Ų145.677%0.77175%0.749SS**  trans-131.9123.4171.3-68.6-168.9154.100110.5I260I260-E262 VanDerWaalsContact C-N 3.32Å; I260-E262 HydrophobicContact CG2-CB 3.63Å; I260-E262 HydrophobicContact CG2-CG 3.98Å; I260-E262 PolarHBondContact O-N 2.84Å
263A29Very low34.9Very low87 Ų87147.4 Ų147.472%0.71974%0.74SS**  trans-65.8140.4168.700000109.4K265A263-K265 PolarHBondContact O-N 2.74Å; A263-K265 VanDerWaalsContact O-N 3.16Å
264P36Very low34.8Very low130 Ų130142.1 Ų142.184%0.84472%0.721SS**  trans-70.6117.9179.528.1-30.2000109.6
265K34.2Very low35.2Very low203 Ų203138.6 Ų138.688%0.88370%0.696SS**  trans-107.778.4160.8-73.6-176.4179177.80107.8A263A263-K265 PolarHBondContact O-N 2.74Å; A263-K265 VanDerWaalsContact O-N 3.16Å
266E37.2Very low35.2Very low156 Ų156135.4 Ų135.473%0.72968%0.684SS**  trans-151.870.8167-116.8-176.6-179.900109.4E268E266-E268 VanDerWaalsContact C-N 3.33Å
267E37.9Very low35.3Very low184 Ų184132.6 Ų132.686%0.8667%0.674SS**Hα-helixtrans-80.6-5.7176.6-89.9180152.800113.8
268E39.1Very low35.4Very low180 Ų180130.3 Ų130.384%0.84166%0.657SS**Hα-helixtrans-93.8-19.5-171.1-81.7-175.6152.900115.6E266E266-E268 VanDerWaalsContact C-N 3.33Å
269K37.3Very low35.7Very low159 Ų159131.2 Ų131.269%0.69166%0.658SS**Hα-helixtrans-102.4-26-179.5-152.7176.4-177.7-176.30114.2
270Y35.2Very low36Very low136 Ų136128.9 Ų128.953%0.53365%0.646SS.*Hα-helixtrans-69.9-31.6176.8-106.4-88.2000112.9D27 E272 L274D27-Y270 PolarHBondContact OD2-OH 3.28Å; Y270-E272 VanDerWaalsContact C-N 3.32Å; Y270-E272 PolarHBondContact O-N 2.97Å; Y270-L274 HydrophobicContact CD1-CD1 4.25Å; Y270-L274 WeakPolarHBondContact O-CB 3.26Å; Y270-L274 WeakPolarHBondContact O-CG 3.46Å; Y270-L274 PolarHBondContact O-N 3.13Å; Y270-L274 VanDerWaalsContact O-N 3.16Å
271S39.7Very low36Very low71 Ų71126.5 Ų126.550%0.49763%0.629SS.*Hα-helixtrans-68.6-29.9-177.575.90000112.8S275S271-S275 WeakPolarHBondContact O-CB 3.46Å; S271-S275 PolarHBondContact O-N 2.91Å; S271-S275 PolarHBondContact O-OG 3.12Å
272E37.9Very low36.3Very low129 Ų129123.9 Ų123.960%0.60362%0.623SS**Hα-helixtrans-78.1-38.4-175.3-157.7156.2-159.300111.8Y270 S275 Q276Y270-E272 VanDerWaalsContact C-N 3.32Å; Y270-E272 PolarHBondContact O-N 2.97Å; E272-S275 PolarHBondContact O-N 3.21Å; E272-S275 PolarHBondContact O-OG 3.25Å; E272-Q276 WeakPolarHBondContact O-CG 3.47Å; E272-Q276 PolarHBondContact O-N 2.91Å; E272-Q276 VanDerWaalsContact O-N 3.13Å
273I37.6Very low36.8Very low113 Ų113120 Ų12058%0.57961%0.607SS**Hα-helixtrans-69.1-44.9174.1-63.3175000110.7Q276 L277I273-Q276 PolarHBondContact O-N 3.34Å; I273-L277 HydrophobicContact CG2-CD1 4.16Å; I273-L277 WeakPolarHBondContact O-CG 3.17Å; I273-L277 PolarHBondContact O-N 3.34Å
274L35.5Very low37.5Very low89 Ų89117.1 Ų117.147%0.46658%0.581SS.*Hα-helixtrans-65.2-37.1174.8-73169.8000111.8Y270 Q276 L277 D278Y270-L274 HydrophobicContact CD1-CD1 4.25Å; Y270-L274 WeakPolarHBondContact O-CB 3.26Å; Y270-L274 WeakPolarHBondContact O-CG 3.46Å; Y270-L274 PolarHBondContact O-N 3.13Å; Y270-L274 VanDerWaalsContact O-N 3.16Å; L274-Q276 VanDerWaalsContact C-N 3.28Å; L274-Q276 PolarHBondContact O-N 3.15Å; L274-L277 PolarHBondContact O-N 3.18Å; L274-D278 WeakPolarHBondContact O-CB 3.3Å; L274-D278 PolarHBondContact O-N 3.09Å
275S40.6Very low37.9Very low43 Ų43112.6 Ų112.630%0.30155%0.553SS.*Hα-helixtrans-67-28175.683.10000113.4S271 E272 K279S271-S275 WeakPolarHBondContact O-CB 3.46Å; S271-S275 PolarHBondContact O-N 2.91Å; S271-S275 PolarHBondContact O-OG 3.12Å; E272-S275 PolarHBondContact O-N 3.21Å; E272-S275 PolarHBondContact O-OG 3.25Å; S275-K279 WeakPolarHBondContact O-CB 3.36Å; S275-K279 WeakPolarHBondContact O-CD 3.08Å; S275-K279 VanDerWaalsContact O-CG 3.22Å; S275-K279 WeakPolarHBondContact O-CG 3.4Å; S275-K279 PolarHBondContact O-N 2.98Å; S275-K279 VanDerWaalsContact O-N 3.16Å
276Q37Very low38.8Very low123 Ų123110.1 Ų110.158%0.57554%0.542SS*.Hα-helixtrans-78.8-35.2173.9-71.3-156.222.700111.5E272 I273 L274 I280E272-Q276 WeakPolarHBondContact O-CG 3.47Å; E272-Q276 PolarHBondContact O-N 2.91Å; E272-Q276 VanDerWaalsContact O-N 3.13Å; I273-Q276 PolarHBondContact O-N 3.34Å; L274-Q276 VanDerWaalsContact C-N 3.28Å; L274-Q276 PolarHBondContact O-N 3.15Å; Q276-I280 WeakPolarHBondContact O-CD1 3.06Å; Q276-I280 VanDerWaalsContact O-CG1 3.23Å; Q276-I280 WeakPolarHBondContact O-CG1 3.4Å; Q276-I280 PolarHBondContact O-N 3.32Å
277L32.8Very low39.6Very low100 Ų100108.9 Ų108.952%0.52454%0.537SS..Hα-helixtrans-66.2-43.4170.8-72.2167.1000111.7I273 L274 K279 I280 W281I273-L277 HydrophobicContact CG2-CD1 4.16Å; I273-L277 WeakPolarHBondContact O-CG 3.17Å; I273-L277 PolarHBondContact O-N 3.34Å; L274-L277 PolarHBondContact O-N 3.18Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.91Å; L277-I280 CarbonylContact O-C 3.49Å; L277-I280 PolarHBondContact O-N 2.98Å; L277-I280 VanDerWaalsContact O-N 3.15Å; L277-W281 WeakPolarHBondContact O-CB 3.28Å; L277-W281 PolarHBondContact O-N 2.98Å
278D33.8Very low40.3Very low87 Ų87100.8 Ų100.847%0.46550%0.499SS..Hα-helixtrans-64.1-32.2176.1-87.7-3.1000113.2L274 W281 P282L274-D278 WeakPolarHBondContact O-CB 3.3Å; L274-D278 PolarHBondContact O-N 3.09Å; D278-W281 CarbonylContact C-O 3.55Å; D278-W281 VanDerWaalsContact CA-O 3.31Å; D278-W281 WeakPolarHBondContact CA-O 3.45Å; D278-W281 CarbonylContact O-C 3.59Å; D278-W281 VanDerWaalsContact O-O 3.11Å; D278-P282 WeakPolarHBondContact O-CA 3.38Å
279K38.3Very low41.3Very low172 Ų17297 Ų9775%0.74848%0.477SS*.Hα-helixtrans-73.8-30.3174.7-81.7172.9-175.8168.90112.9S275 L277S275-K279 WeakPolarHBondContact O-CB 3.36Å; S275-K279 WeakPolarHBondContact O-CD 3.08Å; S275-K279 VanDerWaalsContact O-CG 3.22Å; S275-K279 WeakPolarHBondContact O-CG 3.4Å; S275-K279 PolarHBondContact O-N 2.98Å; S275-K279 VanDerWaalsContact O-N 3.16Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.91Å
280I35.7Very low42.6Very low97 Ų9794.1 Ų94.150%0.49747%0.466SS..Hα-helixtrans-83-25.8176.7-65.8167.1000109.8Y105 Q276 L277Y105-I280 HydrophobicContact CE1-CG2 4.04Å; Q276-I280 WeakPolarHBondContact O-CD1 3.06Å; Q276-I280 VanDerWaalsContact O-CG1 3.23Å; Q276-I280 WeakPolarHBondContact O-CG1 3.4Å; Q276-I280 PolarHBondContact O-N 3.32Å; L277-I280 CarbonylContact O-C 3.49Å; L277-I280 PolarHBondContact O-N 2.98Å; L277-I280 VanDerWaalsContact O-N 3.15Å
281W36.5Very low43.8Very low73 Ų7389.2 Ų89.228%0.27745%0.449SS..SBendtrans-148.498.9-174.5-157.2-53.1000109.8P184 E186 L277 D278 D283P184-W281 HydrophobicContact CB-CZ2 3.87Å; E186-W281 HydrophobicContact CB-CH2 3.27Å; E186-W281 HydrophobicContact CB-CZ2 3.65Å; E186-W281 HydrophobicContact CB-CZ3 4.39Å; E186-W281 HydrophobicContact CG-CH2 3.02Å; E186-W281 HydrophobicContact CG-CZ2 3.58Å; E186-W281 HydrophobicContact CG-CZ3 3.77Å; E186-W281 WeakPolarHBondContact OE1-CH2 3.45Å; E186-W281 WeakPolarHBondContact OE1-CZ2 3.38Å; E186-W281 WeakPolarHBondContact OE1-CZ3 3.42Å; E186-W281 WeakPolarHBondContact OE2-CH2 3.34Å; E186-W281 WeakPolarHBondContact OE2-CZ2 3.48Å; L277-W281 WeakPolarHBondContact O-CB 3.28Å; L277-W281 PolarHBondContact O-N 2.98Å; D278-W281 CarbonylContact C-O 3.55Å; D278-W281 VanDerWaalsContact CA-O 3.31Å; D278-W281 WeakPolarHBondContact CA-O 3.45Å; D278-W281 CarbonylContact O-C 3.59Å; D278-W281 VanDerWaalsContact O-O 3.11Å; W281-D283 PolarHBondContact O-N 2.86Å
282P37.4Very low44.8Very low105 Ų10586.4 Ų86.468%0.68243%0.428SS*.  trans-59.4121.7179.323.9-30.4000107.9D278 P284D278-P282 WeakPolarHBondContact O-CA 3.38Å; P282-P284 WeakPolarHBondContact O-CD 3.43Å
283D43.5Very low46.2Very low83 Ų8385 Ų8544%0.44442%0.424SS..  trans-50103.3176.6175.421.4000109.2W281 S285W281-D283 PolarHBondContact O-N 2.86Å; D283-S285 PolarHBondContact O-N 2.94Å; D283-S285 WeakPolarHBondContact OD1-CB 3.45Å; D283-S285 PolarHBondContact OD1-N 3.38Å; D283-S285 PolarHBondContact OD1-OG 3.18Å; D283-S285 WeakPolarHBondContact OD2-CB 3.32Å
284P43.8Very low47.6Very low26 Ų2686 Ų8617%0.16942%0.42CS..THydrogen-bonded Turntrans-77.2-4.1-176.628.1-21.9000109.8P184 P282 K286 E287 I288P184-P284 HydrophobicContact CG-CB 4.26Å; P184-P284 HydrophobicContact CG-CG 3.25Å; P282-P284 WeakPolarHBondContact O-CD 3.43Å; P284-K286 PolarHBondContact O-N 2.98Å; P284-K286 VanDerWaalsContact O-N 3.15Å; P284-E287 PolarHBondContact O-N 3.38Å; P284-E287 VanDerWaalsContact O-N 3.07Å; P284-I288 HydrophobicContact CB-CD1 3.92Å; P284-I288 HydrophobicContact CB-CG1 4.33Å; P284-I288 HydrophobicContact CG-CD1 4.14Å; P284-I288 VanDerWaalsContact O-CB 3.31Å; P284-I288 WeakPolarHBondContact O-CB 3.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.45Å; P284-I288 PolarHBondContact O-N 2.96Å
285S44.4Very low48.9Very low36 Ų3683.9 Ų83.925%0.25241%0.408SS..Hα-helixtrans-53.8-38.2179.7-53.90000110.9D283 R289D283-S285 PolarHBondContact O-N 2.94Å; D283-S285 WeakPolarHBondContact OD1-CB 3.45Å; D283-S285 PolarHBondContact OD1-N 3.38Å; D283-S285 PolarHBondContact OD1-OG 3.18Å; D283-S285 WeakPolarHBondContact OD2-CB 3.32Å; S285-R289 WeakPolarHBondContact O-CB 3.36Å; S285-R289 PolarHBondContact O-N 2.83Å
286K53.9Low50.1Low150 Ų15084.8 Ų84.865%0.65241%0.409SS*.Hα-helixtrans-67.4-45.7178.1-154.9178.8-175.4-177.40112.7P284 R289 E290P284-K286 PolarHBondContact O-N 2.98Å; P284-K286 VanDerWaalsContact O-N 3.15Å; K286-R289 PolarHBondContact O-N 2.97Å; K286-E290 WeakPolarHBondContact O-CG 3.28Å; K286-E290 PolarHBondContact O-N 3.31Å
287E54.3Low51.7Low131 Ų13184 Ų8461%0.61241%0.406SS*.Hα-helixtrans-69.3-40.2179.2-163.8171.5-160.400111.2P284 R289 E290 I291P284-E287 PolarHBondContact O-N 3.38Å; P284-E287 VanDerWaalsContact O-N 3.07Å; E287-R289 VanDerWaalsContact C-N 3.34Å; E287-E290 PolarHBondContact O-N 3.2Å; E287-I291 VanDerWaalsContact O-CG1 3.28Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 2.78Å
288I51.6Low53.2Low13 Ų1383.7 Ų83.77%0.06740%0.404CS..Hα-helixtrans-62-42.7171.8-66.7165.4000110.3L183 Y198 P284 E290 I291 M292L183-I288 HydrophobicContact CD2-CD1 3.63Å; L183-I288 HydrophobicContact CD2-CG1 3.98Å; L183-I288 HydrophobicContact CD2-CG2 4.44Å; Y198-I288 HydrophobicContact CD1-CD1 4.46Å; P284-I288 HydrophobicContact CB-CD1 3.92Å; P284-I288 HydrophobicContact CB-CG1 4.33Å; P284-I288 HydrophobicContact CG-CD1 4.14Å; P284-I288 VanDerWaalsContact O-CB 3.31Å; P284-I288 WeakPolarHBondContact O-CB 3.43Å; P284-I288 WeakPolarHBondContact O-CG1 3.45Å; P284-I288 PolarHBondContact O-N 2.96Å; I288-E290 PolarHBondContact O-N 3.35Å; I288-I291 PolarHBondContact O-N 3.2Å; I288-M292 HydrophobicContact CG2-CG 4.19Å; I288-M292 HydrophobicContact CG2-SD 3.79Å; I288-M292 WeakPolarHBondContact O-CB 3.49Å; I288-M292 WeakPolarHBondContact O-CG 3.43Å; I288-M292 PolarHBondContact O-N 3.16Å
289R60.3Low54.5Low101 Ų10182.2 Ų82.238%0.38140%0.395SS..Hα-helixtrans-63.7-41.1177.9-166.6174.1-154.4-179.68.3111.4D200 S285 K286 E287 I291 M292 L293D200-R289 IonicContact OD2-CZ 2.79Å; D200-R289 IonicContact OD2-NE 2.72Å; D200-R289 PolarHBondContact OD2-NE 3.28Å; D200-R289 IonicContact OD2-NH1 3.45Å; D200-R289 PolarHBondContact OD2-NH1 3.4Å; D200-R289 IonicContact OD2-NH2 3.28Å; D200-R289 PolarHBondContact OD2-NH2 2.07Å; S285-R289 WeakPolarHBondContact O-CB 3.36Å; S285-R289 PolarHBondContact O-N 2.83Å; K286-R289 PolarHBondContact O-N 2.97Å; E287-R289 VanDerWaalsContact C-N 3.34Å; R289-I291 VanDerWaalsContact C-N 3.34Å; R289-M292 PolarHBondContact O-N 3.39Å; R289-L293 HydrophobicContact CG-CD1 4.45Å; R289-L293 WeakPolarHBondContact O-CB 3.5Å; R289-L293 WeakPolarHBondContact O-CD1 3.44Å; R289-L293 VanDerWaalsContact O-CG 3.25Å; R289-L293 WeakPolarHBondContact O-CG 3.06Å; R289-L293 PolarHBondContact O-N 3.41Å
290E64Low55.8Low99 Ų9979 Ų7946%0.46338%0.383SS..Hα-helixtrans-66.1-33.9173.3-74.6-179.7-172.500113.2K286 E287 I288 R294K286-E290 WeakPolarHBondContact O-CG 3.28Å; K286-E290 PolarHBondContact O-N 3.31Å; E287-E290 PolarHBondContact O-N 3.2Å; I288-E290 PolarHBondContact O-N 3.35Å; E290-R294 WeakPolarHBondContact O-CG 3.49Å; E290-R294 PolarHBondContact O-N 3.19Å; E290-R294 PolarHBondContact O-NE 2.94Å
291I61.5Low57.2Low33 Ų3380.2 Ų80.217%0.16938%0.384CS..Hα-helixtrans-71.3-43.7173.7-68.9168.3000110.4A181 E287 I288 R289 R294 Q295A181-I291 HydrophobicContact CB-CD1 3.82Å; E287-I291 VanDerWaalsContact O-CG1 3.28Å; E287-I291 WeakPolarHBondContact O-CG1 3.35Å; E287-I291 PolarHBondContact O-N 2.78Å; I288-I291 PolarHBondContact O-N 3.2Å; R289-I291 VanDerWaalsContact C-N 3.34Å; I291-R294 WeakPolarHBondContact O-CB 3.39Å; I291-R294 PolarHBondContact O-N 2.96Å; I291-Q295 HydrophobicContact CG2-CG 4.5Å; I291-Q295 WeakPolarHBondContact O-CG 3.49Å; I291-Q295 PolarHBondContact O-N 3.43Å
292M60.6Low58.3Low12 Ų1283.2 Ų83.26%0.05940%0.401CS..Hα-helixtrans-63-43.1177.3-75.7178.862.800110.9Y198 G199 W206 R215 I288 R289 R294 Q295 D296Y198-M292 VanDerWaalsContact O-CE 3.31Å; Y198-M292 WeakPolarHBondContact O-CE 3.25Å; G199-M292 VanDerWaalsContact CA-SD 3.55Å; W206-M292 HydrophobicContact CZ2-CE 3.64Å; W206-M292 HydrophobicContact CZ2-SD 4.05Å; R215-M292 VanDerWaalsContact CZ-CE 3.45Å; I288-M292 HydrophobicContact CG2-CG 4.19Å; I288-M292 HydrophobicContact CG2-SD 3.79Å; I288-M292 WeakPolarHBondContact O-CB 3.49Å; I288-M292 WeakPolarHBondContact O-CG 3.43Å; I288-M292 PolarHBondContact O-N 3.16Å; R289-M292 PolarHBondContact O-N 3.39Å; M292-R294 VanDerWaalsContact C-N 3.31Å; M292-R294 PolarHBondContact O-N 3.38Å; M292-Q295 PolarHBondContact O-N 3.45Å; M292-D296 WeakPolarHBondContact O-CB 3.27Å; M292-D296 PolarHBondContact O-N 2.77Å; M292-D296 VanDerWaalsContact O-OD1 3.08Å
293L67.4Low59.4Low98 Ų9882.8 Ų82.851%0.51339%0.393SS..Hα-helixtrans-56.8-43.6172.5-78.5164.3000111.9R289 D296 E297R289-L293 HydrophobicContact CG-CD1 4.45Å; R289-L293 WeakPolarHBondContact O-CB 3.5Å; R289-L293 WeakPolarHBondContact O-CD1 3.44Å; R289-L293 VanDerWaalsContact O-CG 3.25Å; R289-L293 WeakPolarHBondContact O-CG 3.06Å; R289-L293 PolarHBondContact O-N 3.41Å; L293-D296 PolarHBondContact O-N 3.22Å; L293-E297 WeakPolarHBondContact O-CG 3.49Å; L293-E297 PolarHBondContact O-N 3.25Å
294R66.1Low60.4Low136 Ų13684.4 Ų84.451%0.51340%0.396SS..Hα-helixtrans-64.7-41.6175.6-80-179.5-82.1-166.5-5.3112.8E290 I291 M292 D296 E297 D298E290-R294 WeakPolarHBondContact O-CG 3.49Å; E290-R294 PolarHBondContact O-N 3.19Å; E290-R294 PolarHBondContact O-NE 2.94Å; I291-R294 WeakPolarHBondContact O-CB 3.39Å; I291-R294 PolarHBondContact O-N 2.96Å; M292-R294 VanDerWaalsContact C-N 3.31Å; M292-R294 PolarHBondContact O-N 3.38Å; R294-D296 VanDerWaalsContact C-N 3.34Å; R294-E297 PolarHBondContact O-N 3.13Å; R294-D298 PolarHBondContact O-N 2.9Å
295Q63.9Low61.1Low43 Ų4388.6 Ų88.620%0.20142%0.417CS..Hα-helixtrans-63.9-41175.5-73.8-176.6-18.500111.7R215 I291 M292 E297 D298 E299R215-Q295 VanDerWaalsContact NH2-OE1 3.17Å; I291-Q295 HydrophobicContact CG2-CG 4.5Å; I291-Q295 WeakPolarHBondContact O-CG 3.49Å; I291-Q295 PolarHBondContact O-N 3.43Å; M292-Q295 PolarHBondContact O-N 3.45Å; Q295-E297 VanDerWaalsContact C-N 3.34Å; Q295-D298 PolarHBondContact O-N 2.51Å; Q295-E299 WeakPolarHBondContact O-CB 3.22Å; Q295-E299 WeakPolarHBondContact O-CG 3.41Å; Q295-E299 PolarHBondContact O-N 3.33Å
296D66Low61.7Low62 Ų6291.4 Ų91.433%0.33243%0.428SS..Hα-helixtrans-66.5-38.8178.5-63.8-1.4000110.3R215 M292 L293 R294 E300R215-D296 IonicContact CZ-OD1 2.94Å; R215-D296 IonicContact NH1-OD1 3.43Å; R215-D296 PolarHBondContact NH1-OD1 2.99Å; R215-D296 IonicContact NH1-OD2 3.44Å; R215-D296 PolarHBondContact NH1-OD2 3.39Å; R215-D296 IonicContact NH2-OD1 3.02Å; R215-D296 PolarHBondContact NH2-OD1 3.35Å; M292-D296 WeakPolarHBondContact O-CB 3.27Å; M292-D296 PolarHBondContact O-N 2.77Å; M292-D296 VanDerWaalsContact O-OD1 3.08Å; L293-D296 PolarHBondContact O-N 3.22Å; R294-D296 VanDerWaalsContact C-N 3.34Å; D296-E300 VanDerWaalsContact O-CB 3.28Å; D296-E300 WeakPolarHBondContact O-CB 3.36Å; D296-E300 PolarHBondContact O-N 3.11Å
297E69.3Low62Low107 Ų10789 Ų8950%0.542%0.421SS..Hα-helixtrans-63.3-38.7172.1-76.7-177.8-17900112.9L293 R294 Q295 K301L293-E297 WeakPolarHBondContact O-CG 3.49Å; L293-E297 PolarHBondContact O-N 3.25Å; R294-E297 PolarHBondContact O-N 3.13Å; Q295-E297 VanDerWaalsContact C-N 3.34Å; E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 3.12Å
298D64.7Low62.1Low93 Ų9385.2 Ų85.250%0.49741%0.409SS..Hα-helixtrans-71.5-43.2177.8-73.1-21.7000111.3R294 Q295 E300 K301 E302R294-D298 PolarHBondContact O-N 2.9Å; Q295-D298 PolarHBondContact O-N 2.51Å; D298-E300 VanDerWaalsContact C-N 3.35Å; D298-E300 PolarHBondContact O-N 2.98Å; D298-K301 PolarHBondContact O-N 2.81Å; D298-K301 IonicContact OD1-NZ 3.87Å; D298-E302 PolarHBondContact O-N 2.99Å
299E61.8Low62.3Low57 Ų5790.9 Ų90.927%0.26644%0.435SS..Hα-helixtrans-61.8-40.1172.7-77.6-178.1-169.700111.4Q295 E302 N303Q295-E299 WeakPolarHBondContact O-CB 3.22Å; Q295-E299 WeakPolarHBondContact O-CG 3.41Å; Q295-E299 PolarHBondContact O-N 3.33Å; E299-E302 PolarHBondContact O-N 3.16Å; E299-N303 WeakPolarHBondContact O-CB 3.02Å; E299-N303 PolarHBondContact O-N 3.16Å; E299-N303 PolarHBondContact O-ND2 3.1Å
300E64.7Low62.3Low105 Ų10590.9 Ų90.949%0.49144%0.442SS..Hα-helixtrans-68.2-37.9176.8-155-161174.600111.7D296 D298 K304D296-E300 VanDerWaalsContact O-CB 3.28Å; D296-E300 WeakPolarHBondContact O-CB 3.36Å; D296-E300 PolarHBondContact O-N 3.11Å; D298-E300 VanDerWaalsContact C-N 3.35Å; D298-E300 PolarHBondContact O-N 2.98Å; E300-K304 WeakPolarHBondContact O-CB 3.48Å; E300-K304 WeakPolarHBondContact O-CG 3.23Å; E300-K304 PolarHBondContact O-N 3.36Å; E300-K304 WeakPolarHBondContact OE1-CE 3.43Å; E300-K304 IonicContact OE1-NZ 2.73Å; E300-K304 PolarHBondContact OE1-NZ 2.86Å; E300-K304 IonicContact OE2-NZ 3.45Å; E300-K304 PolarHBondContact OE2-NZ 3.14Å
301K65.8Low61.9Low122 Ų12292.8 Ų92.853%0.5345%0.451SS..Hα-helixtrans-65.4-44.2173.7-81.9173.5-170.21500112E297 D298 K304 L305E297-K301 WeakPolarHBondContact O-CB 3.43Å; E297-K301 WeakPolarHBondContact O-CG 3.46Å; E297-K301 PolarHBondContact O-N 3.12Å; D298-K301 PolarHBondContact O-N 2.81Å; D298-K301 IonicContact OD1-NZ 3.87Å; K301-K304 PolarHBondContact O-N 2.54Å; K301-L305 PolarHBondContact O-N 3.45Å
302E60.2Low61.6Low136 Ų13699.7 Ų99.764%0.63648%0.482SS*.Hα-helixtrans-61.9-45.9177.8-117.3179.3174.900111D298 E299 K304 L305 I306D298-E302 PolarHBondContact O-N 2.99Å; E299-E302 PolarHBondContact O-N 3.16Å; E302-K304 PolarHBondContact O-N 3.1Å; E302-L305 WeakPolarHBondContact O-CB 3.42Å; E302-L305 PolarHBondContact O-N 2.61Å; E302-L305 VanDerWaalsContact O-N 3.13Å; E302-I306 WeakPolarHBondContact O-CG1 3.26Å; E302-I306 PolarHBondContact O-N 3.25Å
303N59Low61.2Low95 Ų95104 Ų10451%0.50851%0.513SS..Hα-helixtrans-61.6-41.2175.7-85.1-37.9000112.6E299 L305 I306 I307E299-N303 WeakPolarHBondContact O-CB 3.02Å; E299-N303 PolarHBondContact O-N 3.16Å; E299-N303 PolarHBondContact O-ND2 3.1Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 2.83Å; N303-I306 PolarHBondContact O-N 3.28Å; N303-I307 VanDerWaalsContact O-CG1 3.27Å; N303-I307 WeakPolarHBondContact O-CG1 3.44Å; N303-I307 PolarHBondContact O-N 2.83Å
304K65.3Low60Low118 Ų118112.6 Ų112.651%0.51354%0.538SS..Hα-helixtrans-63.2-38.6173.8-78.6172-175.1157.30112E300 K301 E302 I307 S308E300-K304 WeakPolarHBondContact O-CB 3.48Å; E300-K304 WeakPolarHBondContact O-CG 3.23Å; E300-K304 PolarHBondContact O-N 3.36Å; E300-K304 WeakPolarHBondContact OE1-CE 3.43Å; E300-K304 IonicContact OE1-NZ 2.73Å; E300-K304 PolarHBondContact OE1-NZ 2.86Å; E300-K304 IonicContact OE2-NZ 3.45Å; E300-K304 PolarHBondContact OE2-NZ 3.14Å; K301-K304 PolarHBondContact O-N 2.54Å; E302-K304 PolarHBondContact O-N 3.1Å; K304-I307 PolarHBondContact O-N 3.48Å; K304-S308 WeakPolarHBondContact O-CB 3.33Å; K304-S308 PolarHBondContact O-N 2.94Å
305L57.9Low59.7Low114 Ų114111.4 Ų111.460%0.59754%0.54SS*.Hα-helixtrans-63.5-45.5176.6-128.196.8000111.4K301 E302 N303 S308 H309K301-L305 PolarHBondContact O-N 3.45Å; E302-L305 WeakPolarHBondContact O-CB 3.42Å; E302-L305 PolarHBondContact O-N 2.61Å; E302-L305 VanDerWaalsContact O-N 3.13Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 2.83Å; L305-S308 PolarHBondContact O-N 3.43Å; L305-S308 PolarHBondContact O-OG 2.79Å; L305-H309 PolarHBondContact O-N 3.41Å
306I58Low59.5Low94 Ų94115 Ų11548%0.48256%0.557SS.*Hα-helixtrans-61.5-45.8177.9-66.7165.2000110.6E302 N303 S308 H309 I310E302-I306 WeakPolarHBondContact O-CG1 3.26Å; E302-I306 PolarHBondContact O-N 3.25Å; N303-I306 PolarHBondContact O-N 3.28Å; I306-S308 VanDerWaalsContact C-N 3.33Å; I306-S308 PolarHBondContact O-N 2.72Å; I306-H309 PolarHBondContact O-N 3.36Å; I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 WeakPolarHBondContact O-CG1 3.15Å; I306-I310 PolarHBondContact O-N 3.01Å; I306-I310 VanDerWaalsContact O-N 3.09Å
307I59.3Low59.1Low99 Ų99117.9 Ų117.951%0.50857%0.57SS.*Hα-helixtrans-62.6-40.2177.8-68167.7000111.3N303 K304 I310 Q311N303-I307 VanDerWaalsContact O-CG1 3.27Å; N303-I307 WeakPolarHBondContact O-CG1 3.44Å; N303-I307 PolarHBondContact O-N 2.83Å; K304-I307 PolarHBondContact O-N 3.48Å; I307-I310 PolarHBondContact O-N 3.1Å; I307-Q311 PolarHBondContact O-N 3.47Å; I307-Q311 VanDerWaalsContact O-N 3.09Å
308S57.3Low58.5Low53 Ų53118.6 Ų118.637%0.37157%0.574SS.*Hα-helixtrans-64.7-38.1177.378.10000113K304 L305 I306 Q311 H312K304-S308 WeakPolarHBondContact O-CB 3.33Å; K304-S308 PolarHBondContact O-N 2.94Å; L305-S308 PolarHBondContact O-N 3.43Å; L305-S308 PolarHBondContact O-OG 2.79Å; I306-S308 VanDerWaalsContact C-N 3.33Å; I306-S308 PolarHBondContact O-N 2.72Å; S308-Q311 PolarHBondContact O-N 3.45Å; S308-H312 PolarHBondContact O-N 3Å; S308-H312 VanDerWaalsContact O-N 3.15Å
309H55.9Low58.2Low132 Ų132120.2 Ų120.261%0.61158%0.579SS**Hα-helixtrans-68.6-35.9176.1-93.741.2000112.3L305 I306 Q311 H312 S313L305-H309 PolarHBondContact O-N 3.41Å; I306-H309 PolarHBondContact O-N 3.36Å; H309-Q311 VanDerWaalsContact C-N 3.33Å; H309-H312 PolarHBondContact O-N 3.08Å; H309-S313 WeakPolarHBondContact O-CB 3.32Å; H309-S313 PolarHBondContact O-N 2.92Å; H309-S313 PolarHBondContact O-OG 3.15Å
310I58.7Low57.9Low100 Ų100124.4 Ų124.451%0.51360%0.6SS.*Hα-helixtrans-67.6-35175.5-65.6167.1000111I306 I307 S313I306-I310 HydrophobicContact CG2-CD1 3.93Å; I306-I310 WeakPolarHBondContact O-CG1 3.15Å; I306-I310 PolarHBondContact O-N 3.01Å; I306-I310 VanDerWaalsContact O-N 3.09Å; I307-I310 PolarHBondContact O-N 3.1Å; I310-S313 PolarHBondContact O-N 3.16Å
311Q56.9Low57.4Low140 Ų140125.8 Ų125.865%0.65461%0.608SS**Hα-helixtrans-74.4-26176.9-76.8-175.5-22.800114.3I307 S308 H309I307-Q311 PolarHBondContact O-N 3.47Å; I307-Q311 VanDerWaalsContact O-N 3.09Å; S308-Q311 PolarHBondContact O-N 3.45Å; H309-Q311 VanDerWaalsContact C-N 3.33Å
312H54.9Low56.8Low178 Ų178126.1 Ų126.182%0.82461%0.613SS**Hα-helixtrans-86-7.3172.8-88.522.8000114S308 H309S308-H312 PolarHBondContact O-N 3Å; S308-H312 VanDerWaalsContact O-N 3.15Å; H309-H312 PolarHBondContact O-N 3.08Å
313S52.2Low56.5Low101 Ų101125.3 Ų125.371%0.70661%0.612SS**THydrogen-bonded Turntrans-99.77.9177.8-53.80000113.4H309 I310H309-S313 WeakPolarHBondContact O-CB 3.32Å; H309-S313 PolarHBondContact O-N 2.92Å; H309-S313 PolarHBondContact O-OG 3.15Å; I310-S313 PolarHBondContact O-N 3.16Å
314R42.8Very low56.3Low279 Ų279128 Ų128100%1.05362%0.621SS**  trans-116.20172.6-83.8-172.5175.4-1750.1110.4

Retrieved 314 of 314 residues in 850.7 ms (Link to these results)

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