A0A3Q0KPG4_SCHMA Loading...

ZZ-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPG4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M78.3Confident81.3Confident74 Ų7417.4 Ų17.437%0.3658%0.083SC..  0157.4074.2179.2160.800110.7I3 Y23 F27 L30M1-I3 HydrophobicContact CE-CD1 3.66Å; M1-I3 HydrophobicContact CE-CG1 3.97Å; M1-I3 HydrophobicContact CG-CG1 4.28Å; M1-I3 HydrophobicContact SD-CG1 4.4Å; M1-Y23 HydrophobicContact CE-CD1 3.16Å; M1-Y23 HydrophobicContact CE-CE1 3.8Å; M1-Y23 HydrophobicContact CE-CG 3.81Å; M1-Y23 HydrophobicContact CG-CD1 4.18Å; M1-Y23 PolarHBondContact N-O 3.46Å; M1-Y23 PolarHBondContact O-N 2.63Å; M1-Y23 HydrophobicContact SD-CD1 4.46Å; M1-F27 HydrophobicContact CE-CB 4.49Å; M1-F27 HydrophobicContact CE-CD2 3.29Å; M1-F27 HydrophobicContact CE-CE2 3.76Å; M1-F27 HydrophobicContact CE-CG 4.3Å; M1-F27 HydrophobicContact SD-CB 4.27Å; M1-F27 HydrophobicContact SD-CD2 3.3Å; M1-F27 WeakPolarHBondContact SD-CD2 3.33Å; M1-F27 HydrophobicContact SD-CE2 3.54Å; M1-F27 VanDerWaalsContact SD-CE2 3.54Å; M1-F27 HydrophobicContact SD-CG 4.05Å; M1-F27 HydrophobicContact SD-CZ 4.41Å; M1-L30 HydrophobicContact CE-CB 4.4Å; M1-L30 HydrophobicContact CE-CD1 4.31Å; M1-L30 HydrophobicContact CE-CD2 4.12Å
2L81.8Confident79.9Confident47 Ų4716.6 Ų16.625%0.2468%0.081CC..EExtended strand (participates in β ladder)trans-90.8129.6173.6-174.262.4000110.1R20 I83L2-R20 HydrophobicContact CD1-CB 4.1Å; L2-I83 HydrophobicContact CB-CG2 4.24Å; L2-I83 HydrophobicContact CD2-CD1 3.92Å; L2-I83 HydrophobicContact CD2-CG1 4.35Å; L2-I83 HydrophobicContact CD2-CG2 4.14Å; L2-I83 HydrophobicContact CG-CG2 4.02Å
3I86.1Confident78.6Confident0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-114.6133.6170.3-61177.1000108.1M1 F5 I21 Y23 L30 W34 C84 I86M1-I3 HydrophobicContact CE-CD1 3.66Å; M1-I3 HydrophobicContact CE-CG1 3.97Å; M1-I3 HydrophobicContact CG-CG1 4.28Å; M1-I3 HydrophobicContact SD-CG1 4.4Å; I3-F5 HydrophobicContact CG2-CD2 4.4Å; I3-F5 HydrophobicContact CG2-CE1 4.42Å; I3-F5 HydrophobicContact CG2-CE2 4.04Å; I3-F5 HydrophobicContact CG2-CZ 4.07Å; I3-I21 PolarHBondContact N-O 3.37Å; I3-I21 PolarHBondContact O-N 3.39Å; I3-Y23 HydrophobicContact CD1-CG 4.22Å; I3-L30 HydrophobicContact CD1-CD1 3.76Å; I3-L30 HydrophobicContact CD1-CD2 4.17Å; I3-W34 HydrophobicContact CD1-CH2 3.98Å; I3-W34 HydrophobicContact CD1-CZ3 3.59Å; I3-C84 HydrophobicContact CG1-CB 4.34Å; I3-I86 HydrophobicContact CG2-CD1 3.91Å; I3-I86 HydrophobicContact CG2-CG1 4.3Å
4K86.8Confident77.9Confident30 Ų3026.9 Ų26.913%0.1314%0.141CC..EExtended strand (participates in β ladder)trans-104.7115.8171.3-76.6176.8178.3179.40109.1V18 C19 R20 I83 C84 R85 I86K4-V18 HydrophobicContact CB-CG1 4.3Å; K4-V18 HydrophobicContact CD-CG1 4.3Å; K4-V18 HydrophobicContact CG-CG1 4.22Å; K4-C19 WeakPolarHBondContact CA-O 3.34Å; K4-R20 HydrophobicContact CG-CG 3.97Å; K4-I83 HydrophobicContact CB-CG2 4.42Å; K4-I83 HydrophobicContact CD-CG2 3.83Å; K4-I83 HydrophobicContact CG-CG2 3.83Å; K4-C84 PolarHBondContact N-O 3.34Å; K4-R85 HydrophobicContact CB-CG 4.11Å; K4-R85 HydrophobicContact CD-CG 4.43Å; K4-R85 CarbonylContact O-C 3.55Å; K4-R85 WeakPolarHBondContact O-CA 3.46Å; K4-I86 PolarHBondContact O-N 2.88Å
5F89.4Confident77.6Confident0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-85.1130.8163.6-68.3-71.2000108.9I3 F7 V18 C19 I21 W34 I35 A38 I39 I42 I86I3-F5 HydrophobicContact CG2-CD2 4.4Å; I3-F5 HydrophobicContact CG2-CE1 4.42Å; I3-F5 HydrophobicContact CG2-CE2 4.04Å; I3-F5 HydrophobicContact CG2-CZ 4.07Å; F5-F7 HydrophobicContact CB-CD2 4.43Å; F5-F7 HydrophobicContact CB-CE2 3.58Å; F5-F7 HydrophobicContact CB-CZ 3.88Å; F5-V18 CarbonylContact O-C 3.54Å; F5-V18 WeakPolarHBondContact O-CA 3.36Å; F5-C19 HydrophobicContact CB-CB 4.49Å; F5-C19 PolarHBondContact N-O 3.3Å; F5-C19 PolarHBondContact O-N 3.13Å; F5-I21 HydrophobicContact CD2-CD1 4.07Å; F5-I21 HydrophobicContact CD2-CG1 4.39Å; F5-I21 HydrophobicContact CE2-CB 4.43Å; F5-I21 HydrophobicContact CE2-CD1 3.95Å; F5-I21 HydrophobicContact CE2-CG1 4.46Å; F5-W34 HydrophobicContact CE2-CH2 4.46Å; F5-W34 HydrophobicContact CE2-CZ3 4.35Å; F5-W34 HydrophobicContact CZ-CZ3 4.09Å; F5-I35 HydrophobicContact CE1-CG2 3.71Å; F5-I35 HydrophobicContact CZ-CG2 4.09Å; F5-A38 HydrophobicContact CE2-CB 3.88Å; F5-A38 HydrophobicContact CZ-CB 4.08Å; F5-I39 HydrophobicContact CD1-CG1 4.09Å; F5-I39 HydrophobicContact CE1-CD1 4.24Å; F5-I39 HydrophobicContact CE1-CG1 4.01Å; F5-I39 HydrophobicContact CZ-CG1 4.5Å; F5-I42 HydrophobicContact CB-CD1 4.18Å; F5-I42 HydrophobicContact CD2-CD1 3.53Å; F5-I42 HydrophobicContact CE2-CD1 4.25Å; F5-I42 HydrophobicContact CG-CD1 4.08Å; F5-I86 CarbonylContact C-O 3.59Å; F5-I86 WeakPolarHBondContact CA-O 3.18Å; F5-I86 HydrophobicContact CD1-CB 3.94Å; F5-I86 HydrophobicContact CD1-CG2 4.18Å; F5-I86 HydrophobicContact CE1-CB 4.03Å; F5-I86 HydrophobicContact CE1-CD1 3.88Å; F5-I86 HydrophobicContact CE1-CG2 4.14Å; F5-I86 HydrophobicContact CZ-CD1 4.41Å
6I88.2Confident77.6Confident4 Ų426.3 Ų26.32%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-119.8114.9-179.2-53.8175.9000107.3Q16 E17 V18 R85 I86 Y87 T88 L115I6-Q16 HydrophobicContact CG2-CB 3.89Å; I6-Q16 HydrophobicContact CG2-CG 3.7Å; I6-E17 WeakPolarHBondContact CA-O 3.09Å; I6-V18 HydrophobicContact CG1-CG2 4.39Å; I6-V18 HydrophobicContact CG2-CG2 4.46Å; I6-R85 HydrophobicContact CD1-CB 3.89Å; I6-R85 HydrophobicContact CD1-CG 3.99Å; I6-I86 PolarHBondContact N-O 3.4Å; I6-Y87 HydrophobicContact CB-CD1 3.7Å; I6-Y87 HydrophobicContact CB-CE1 3.99Å; I6-Y87 HydrophobicContact CB-CG 4.23Å; I6-Y87 HydrophobicContact CD1-CD1 4.17Å; I6-Y87 HydrophobicContact CD1-CD2 4.47Å; I6-Y87 HydrophobicContact CD1-CE1 3.72Å; I6-Y87 HydrophobicContact CD1-CE2 4Å; I6-Y87 HydrophobicContact CG1-CE1 4.46Å; I6-Y87 HydrophobicContact CG2-CD1 3.64Å; I6-Y87 HydrophobicContact CG2-CE1 3.66Å; I6-Y87 CarbonylContact O-C 3.59Å; I6-Y87 VanDerWaalsContact O-CA 3.3Å; I6-Y87 WeakPolarHBondContact O-CA 3.12Å; I6-T88 PolarHBondContact O-N 3Å; I6-L115 HydrophobicContact CG2-CD2 4.13Å
7F86.5Confident77.4Confident0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-105.9146.8178.1-55.3-91.5000109.6F5 S9 Q16 E17 C19 I39 I42 T43 T88 F102 F103F5-F7 HydrophobicContact CB-CD2 4.43Å; F5-F7 HydrophobicContact CB-CE2 3.58Å; F5-F7 HydrophobicContact CB-CZ 3.88Å; F7-S9 PolarHBondContact O-N 3.24Å; F7-Q16 CarbonylContact O-C 3.53Å; F7-Q16 WeakPolarHBondContact O-CA 3.38Å; F7-E17 HydrophobicContact CB-CB 4.24Å; F7-E17 PolarHBondContact N-O 3.05Å; F7-E17 PolarHBondContact O-N 3.4Å; F7-C19 HydrophobicContact CE2-CB 4.24Å; F7-I39 HydrophobicContact CE1-CG2 4.13Å; F7-I39 HydrophobicContact CZ-CG2 4.48Å; F7-I42 HydrophobicContact CE2-CD1 4.38Å; F7-I42 HydrophobicContact CE2-CG2 3.77Å; F7-I42 HydrophobicContact CZ-CB 4.41Å; F7-I42 HydrophobicContact CZ-CD1 4.35Å; F7-I42 HydrophobicContact CZ-CG2 3.98Å; F7-T43 HydrophobicContact CD1-CG2 4.1Å; F7-T43 HydrophobicContact CE1-CG2 3.44Å; F7-T43 VanDerWaalsContact CE1-CG2 3.44Å; F7-T43 HydrophobicContact CZ-CG2 3.72Å; F7-T88 HydrophobicContact CD1-CG2 3.88Å; F7-T88 HydrophobicContact CE1-CG2 3.43Å; F7-T88 VanDerWaalsContact CE1-CG2 3.43Å; F7-T88 HydrophobicContact CZ-CG2 4.34Å; F7-F102 HydrophobicContact CB-CE1 3.9Å; F7-F102 HydrophobicContact CD1-CE1 4.05Å; F7-F102 HydrophobicContact CD2-CE1 4.21Å; F7-F102 HydrophobicContact CD2-CZ 4.2Å; F7-F102 AromaticContact CG-CE1 3.8Å; F7-F102 HydrophobicContact CG-CE1 3.8Å; F7-F102 HydrophobicContact CG-CZ 4.24Å; F7-F103 HydrophobicContact CB-CD1 4.4Å; F7-F103 HydrophobicContact CB-CE1 4.17Å; F7-F103 HydrophobicContact CD1-CE1 4.08Å
8P82.4Confident77.3Confident0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-65.3130.2170.728-32.7000109.2T88 L99 F103 L111 I114 L115P8-T88 WeakPolarHBondContact CD-O 3.2Å; P8-L99 HydrophobicContact CG-CD1 4.35Å; P8-F103 HydrophobicContact CG-CD1 3.93Å; P8-F103 WeakPolarHBondContact O-CA 3.38Å; P8-F103 WeakPolarHBondContact O-CB 3.48Å; P8-F103 VanDerWaalsContact O-CD1 3.27Å; P8-F103 WeakPolarHBondContact O-CD1 3.39Å; P8-L111 HydrophobicContact CB-CD2 3.46Å; P8-L111 VanDerWaalsContact CB-CD2 3.46Å; P8-L111 HydrophobicContact CG-CD1 4.27Å; P8-L111 HydrophobicContact CG-CD2 3.68Å; P8-I114 HydrophobicContact CB-CG2 3.9Å; P8-L115 HydrophobicContact CB-CD2 4.04Å; P8-L115 HydrophobicContact CB-CG 4.49Å
9S78.6Confident77.3Confident0 Ų026.6 Ų26.60%014%0.141CC..  trans-157.5112.3180176.20000109.9F7 R11 S12 N15 Q16 E17F7-S9 PolarHBondContact O-N 3.24Å; S9-R11 PolarHBondContact O-N 2.94Å; S9-R11 WeakPolarHBondContact OG-CB 3.44Å; S9-R11 WeakPolarHBondContact OG-CG 3.36Å; S9-R11 PolarHBondContact OG-N 3.31Å; S9-S12 PolarHBondContact O-N 3.02Å; S9-N15 PolarHBondContact N-O 3.46Å; S9-N15 CarbonylContact O-C 3.59Å; S9-N15 WeakPolarHBondContact O-CA 3.35Å; S9-Q16 PolarHBondContact O-N 3Å; S9-E17 PolarHBondContact OG-OE2 3.39Å
10L70.2Confident77.3Confident13 Ų1329.3 Ų29.37%0.06815%0.149CC..THydrogen-bonded Turntrans-65.5-6.4173.9-66.5169000113S12 N15 N104 I114 I121 L126L10-S12 PolarHBondContact O-N 3.14Å; L10-N15 VanDerWaalsContact CD2-OD1 3.3Å; L10-N15 WeakPolarHBondContact CD2-OD1 3.4Å; L10-N104 HydrophobicContact CB-CB 4.08Å; L10-N104 WeakPolarHBondContact CB-ND2 3.3Å; L10-I114 HydrophobicContact CD2-CD1 3.66Å; L10-I114 HydrophobicContact CG-CD1 4.37Å; L10-I121 HydrophobicContact CB-CD1 4.39Å; L10-I121 HydrophobicContact CD1-CD1 3.2Å; L10-I121 HydrophobicContact CD2-CD1 3.31Å; L10-I121 HydrophobicContact CD2-CG1 4.18Å; L10-I121 HydrophobicContact CG-CD1 3.72Å; L10-L126 VanDerWaalsContact O-CD1 3.24Å; L10-L126 WeakPolarHBondContact O-CD1 3.45Å; L10-L126 VanDerWaalsContact O-CD2 3.23Å; L10-L126 WeakPolarHBondContact O-CD2 3.47Å
11R65.7Low77.3Confident23 Ų2328.4 Ų28.49%0.08714%0.144CC..THydrogen-bonded Turntrans-68-26.6179.5-55.9-172161.3162.9-15.3113.2S9 S101 N104 S154S9-R11 PolarHBondContact O-N 2.94Å; S9-R11 WeakPolarHBondContact OG-CB 3.44Å; S9-R11 WeakPolarHBondContact OG-CG 3.36Å; S9-R11 PolarHBondContact OG-N 3.31Å; R11-S101 PolarHBondContact NE-O 3Å; R11-S101 PolarHBondContact NH1-O 2.95Å; R11-S101 PolarHBondContact NH2-O 3.25Å; R11-N104 HydrophobicContact CG-CB 3.41Å; R11-N104 VanDerWaalsContact CG-CB 3.41Å; R11-S154 PolarHBondContact NH1-O 3.38Å; R11-S154 PolarHBondContact NH1-OG 3.29Å; R11-S154 PolarHBondContact NH2-O 3.42Å
12S64.7Low77.3Confident8 Ų829.6 Ų29.66%0.05615%0.149CC..SBendtrans-100152.8179.772.50000110.6S9 L10 T14 N15 Q16S9-S12 PolarHBondContact O-N 3.02Å; L10-S12 PolarHBondContact O-N 3.14Å; S12-T14 PolarHBondContact O-N 3.45Å; S12-T14 VanDerWaalsContact O-N 3.07Å; S12-T14 PolarHBondContact OG-OG1 3.24Å; S12-N15 PolarHBondContact O-N 3.31Å; S12-N15 VanDerWaalsContact O-N 3.13Å; S12-N15 PolarHBondContact OG-N 2.88Å; S12-Q16 WeakPolarHBondContact CB-O 3.46Å; S12-Q16 PolarHBondContact OG-N 2.87Å; S12-Q16 PolarHBondContact OG-O 3.19Å
13N62.6Low77.2Confident113 Ų11327.5 Ų27.560%0.60414%0.138SC*.THydrogen-bonded Turntrans-64.6-5.3173.161.3-27.6000113.7P119N13-P119 WeakPolarHBondContact O-CD 3.38Å; N13-P119 VanDerWaalsContact O-CG 3.25Å; N13-P119 WeakPolarHBondContact O-CG 3.16Å
14T69Low76.9Confident64 Ų6434.4 Ų34.439%0.39318%0.175SC..THydrogen-bonded Turntrans-113.18.1176.858.10000112.7S12 Q16S12-T14 PolarHBondContact O-N 3.45Å; S12-T14 VanDerWaalsContact O-N 3.07Å; S12-T14 PolarHBondContact OG-OG1 3.24Å; T14-Q16 WeakPolarHBondContact O-CG 3.47Å; T14-Q16 PolarHBondContact O-N 3.35Å; T14-Q16 VanDerWaalsContact O-N 3.13Å
15N73.5Confident76.6Confident3 Ų341.2 Ų41.22%0.01620%0.199CC..SBendtrans56.920.8-173.9-63.5-31.2000114.5S9 L10 S12 I114 Q117 P119S9-N15 PolarHBondContact N-O 3.46Å; S9-N15 CarbonylContact O-C 3.59Å; S9-N15 WeakPolarHBondContact O-CA 3.35Å; L10-N15 VanDerWaalsContact CD2-OD1 3.3Å; L10-N15 WeakPolarHBondContact CD2-OD1 3.4Å; S12-N15 PolarHBondContact O-N 3.31Å; S12-N15 VanDerWaalsContact O-N 3.13Å; S12-N15 PolarHBondContact OG-N 2.88Å; N15-I114 HydrophobicContact CB-CG1 4.15Å; N15-I114 VanDerWaalsContact CB-O 3.24Å; N15-I114 WeakPolarHBondContact CB-O 2.98Å; N15-I114 PolarHBondContact ND2-O 3.02Å; N15-Q117 PolarHBondContact ND2-O 3.35Å; N15-P119 WeakPolarHBondContact ND2-CA 3.45Å
16Q77.6Confident76.2Confident42 Ų4244.6 Ų44.620%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-128.1128.1-173.8-67.9170.232.900111.3I6 F7 S9 S12 T14 V18 L115I6-Q16 HydrophobicContact CG2-CB 3.89Å; I6-Q16 HydrophobicContact CG2-CG 3.7Å; F7-Q16 CarbonylContact O-C 3.53Å; F7-Q16 WeakPolarHBondContact O-CA 3.38Å; S9-Q16 PolarHBondContact O-N 3Å; S12-Q16 WeakPolarHBondContact CB-O 3.46Å; S12-Q16 PolarHBondContact OG-N 2.87Å; S12-Q16 PolarHBondContact OG-O 3.19Å; T14-Q16 WeakPolarHBondContact O-CG 3.47Å; T14-Q16 PolarHBondContact O-N 3.35Å; T14-Q16 VanDerWaalsContact O-N 3.13Å; Q16-V18 HydrophobicContact CB-CG2 4.29Å; Q16-L115 HydrophobicContact CG-CD2 3.98Å; Q16-L115 PolarHBondContact NE2-O 2.88Å
17E74.7Confident75.5Confident24 Ų2446.9 Ų46.911%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-97.1120.8160.9-166.974.2-155.400107.9I6 F7 S9I6-E17 WeakPolarHBondContact CA-O 3.09Å; F7-E17 HydrophobicContact CB-CB 4.24Å; F7-E17 PolarHBondContact N-O 3.05Å; F7-E17 PolarHBondContact O-N 3.4Å; S9-E17 PolarHBondContact OG-OE2 3.39Å
18V75.6Confident74.9Confident36 Ų3656.6 Ų56.622%0.21828%0.276CS..EExtended strand (participates in β ladder)trans-110.8117.3-174.8-177.30000110.1K4 F5 I6 Q16 A195K4-V18 HydrophobicContact CB-CG1 4.3Å; K4-V18 HydrophobicContact CD-CG1 4.3Å; K4-V18 HydrophobicContact CG-CG1 4.22Å; F5-V18 CarbonylContact O-C 3.54Å; F5-V18 WeakPolarHBondContact O-CA 3.36Å; I6-V18 HydrophobicContact CG1-CG2 4.39Å; I6-V18 HydrophobicContact CG2-CG2 4.46Å; Q16-V18 HydrophobicContact CB-CG2 4.29Å; V18-A195 WeakPolarHBondContact O-CB 3.41Å
19C77.2Confident74.9Confident24 Ų2458.8 Ų58.816%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-109.8126.5174.7-59.10000110.4K4 F5 F7 I42K4-C19 WeakPolarHBondContact CA-O 3.34Å; F5-C19 HydrophobicContact CB-CB 4.49Å; F5-C19 PolarHBondContact N-O 3.3Å; F5-C19 PolarHBondContact O-N 3.13Å; F7-C19 HydrophobicContact CE2-CB 4.24Å; C19-I42 HydrophobicContact CB-CD1 3.75Å; C19-I42 HydrophobicContact CB-CG1 4.16Å; C19-I42 HydrophobicContact CB-CG2 3.9Å; C19-I42 WeakPolarHBondContact SG-CG2 3.46Å
20R77.5Confident75.2Confident81 Ų8159.4 Ų59.431%0.30629%0.294SS..EExtended strand (participates in β ladder)trans-98.4122.5-179.4-71.4175.1-169-171.40.5110L2 K4 S196L2-R20 HydrophobicContact CD1-CB 4.1Å; K4-R20 HydrophobicContact CG-CG 3.97Å; R20-S196 WeakPolarHBondContact CD-O 3.35Å; R20-S196 PolarHBondContact NH1-O 3.1Å
21I77.7Confident76.1Confident10 Ų1061.9 Ų61.95%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-122.3131.1174.8-66.6-174.6000109.7I3 F5 Y23 W34 A38 I42I3-I21 PolarHBondContact N-O 3.37Å; I3-I21 PolarHBondContact O-N 3.39Å; F5-I21 HydrophobicContact CD2-CD1 4.07Å; F5-I21 HydrophobicContact CD2-CG1 4.39Å; F5-I21 HydrophobicContact CE2-CB 4.43Å; F5-I21 HydrophobicContact CE2-CD1 3.95Å; F5-I21 HydrophobicContact CE2-CG1 4.46Å; I21-Y23 PolarHBondContact O-N 2.91Å; I21-W34 HydrophobicContact CG2-CH2 3.7Å; I21-W34 HydrophobicContact CG2-CZ2 3.83Å; I21-A38 HydrophobicContact CD1-CB 3.89Å; I21-I42 HydrophobicContact CD1-CD1 3.31Å; I21-I42 HydrophobicContact CD1-CG1 3.75Å; I21-I42 HydrophobicContact CG1-CD1 4.08Å
22H76.6Confident77.1Confident99 Ų9963.8 Ų63.846%0.45832%0.319SS..EExtended strand (participates in β ladder)trans-78.8116.1167.9-83.4-110.6000109.9P198H22-P198 VanDerWaalsContact CD2-CB 3.48Å; H22-P198 WeakPolarHBondContact CD2-CB 3.38Å
23Y80.7Confident78.2Confident3 Ų367.9 Ų67.91%0.01234%0.34CS..  trans-94.2104.8169.5-176.7-106.6000109.6M1 I3 I21 R25 S26 S29 L30 W34M1-Y23 HydrophobicContact CE-CD1 3.16Å; M1-Y23 HydrophobicContact CE-CE1 3.8Å; M1-Y23 HydrophobicContact CE-CG 3.81Å; M1-Y23 HydrophobicContact CG-CD1 4.18Å; M1-Y23 PolarHBondContact N-O 3.46Å; M1-Y23 PolarHBondContact O-N 2.63Å; M1-Y23 HydrophobicContact SD-CD1 4.46Å; I3-Y23 HydrophobicContact CD1-CG 4.22Å; I21-Y23 PolarHBondContact O-N 2.91Å; Y23-R25 HydrophobicContact CD1-CB 4.25Å; Y23-R25 VanDerWaalsContact CD1-O 3.24Å; Y23-R25 WeakPolarHBondContact CD1-O 3.28Å; Y23-R25 HydrophobicContact CE1-CB 3.59Å; Y23-R25 WeakPolarHBondContact CE1-O 3.37Å; Y23-R25 HydrophobicContact CE2-CB 4.27Å; Y23-R25 HydrophobicContact CE2-CG 4.48Å; Y23-R25 PolarHBondContact O-N 3.32Å; Y23-S26 WeakPolarHBondContact CE1-O 3.47Å; Y23-S29 PolarHBondContact OH-O 3.05Å; Y23-S29 VanDerWaalsContact OH-O 3.1Å; Y23-S29 PolarHBondContact OH-OG 2.91Å; Y23-L30 HydrophobicContact CD1-CD1 4.48Å; Y23-L30 HydrophobicContact CD2-CD1 4.21Å; Y23-L30 HydrophobicContact CE1-CB 4.25Å; Y23-L30 HydrophobicContact CE1-CD1 4.22Å; Y23-L30 HydrophobicContact CE2-CD1 3.98Å; Y23-L30 HydrophobicContact CG-CD1 4.41Å; Y23-L30 WeakPolarHBondContact OH-CA 3.35Å; Y23-L30 PolarHBondContact OH-N 3.04Å; Y23-W34 AromaticContact CD2-CD2 3.68Å; Y23-W34 HydrophobicContact CD2-CD2 3.68Å; Y23-W34 AromaticContact CD2-CE2 3.4Å; Y23-W34 AromaticContact CD2-CE3 3.95Å; Y23-W34 HydrophobicContact CD2-CE3 3.95Å; Y23-W34 HydrophobicContact CD2-CG 4.38Å; Y23-W34 AromaticContact CD2-CH2 3.75Å; Y23-W34 HydrophobicContact CD2-CH2 3.75Å; Y23-W34 AromaticContact CD2-CZ2 3.47Å; Y23-W34 HydrophobicContact CD2-CZ2 3.47Å; Y23-W34 VanDerWaalsContact CD2-CZ2 3.47Å; Y23-W34 AromaticContact CD2-CZ3 3.99Å; Y23-W34 HydrophobicContact CD2-CZ3 3.99Å; Y23-W34 AromaticContact CD2-NE1 3.89Å; Y23-W34 AromaticContact CE2-CD1 3.99Å; Y23-W34 AromaticContact CE2-CD2 3.6Å; Y23-W34 HydrophobicContact CE2-CD2 3.6Å; Y23-W34 AromaticContact CE2-CE2 3.68Å; Y23-W34 HydrophobicContact CE2-CE3 4.07Å; Y23-W34 AromaticContact CE2-CG 3.86Å; Y23-W34 HydrophobicContact CE2-CG 3.86Å; Y23-W34 HydrophobicContact CE2-CZ2 4.22Å; Y23-W34 AromaticContact CE2-NE1 3.86Å; Y23-W34 HydrophobicContact CG-CH2 4.36Å; Y23-W34 HydrophobicContact CG-CZ2 4.38Å
24N79.9Confident79.5Confident145 Ų14565.2 Ų65.278%0.77532%0.322SS*.  trans-83.39.5-172.2-63.2-21.8000114.2
25R81.2Confident80.5Confident173 Ų17362.1 Ų62.165%0.65330%0.303SS*.SBendtrans-110.5172.4178-52.8-179.9176.9-177.2-2.6111.2Y23 S29Y23-R25 HydrophobicContact CD1-CB 4.25Å; Y23-R25 VanDerWaalsContact CD1-O 3.24Å; Y23-R25 WeakPolarHBondContact CD1-O 3.28Å; Y23-R25 HydrophobicContact CE1-CB 3.59Å; Y23-R25 WeakPolarHBondContact CE1-O 3.37Å; Y23-R25 HydrophobicContact CE2-CB 4.27Å; Y23-R25 HydrophobicContact CE2-CG 4.48Å; Y23-R25 PolarHBondContact O-N 3.32Å; R25-S29 WeakPolarHBondContact CB-OG 3.26Å
26S79.1Confident81.2Confident72 Ų7263.7 Ų63.750%0.50332%0.316SS..  trans-66.9145.4177.597.60000110.8Y23 K28 S29Y23-S26 WeakPolarHBondContact CE1-O 3.47Å; S26-K28 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact OG-N 3.36Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 3.46Å; S26-S29 PolarHBondContact O-OG 3.31Å
27F74Confident81.6Confident52 Ų5267 Ų6723%0.22833%0.33CS..G310 helixtrans-60.3-31.4-179.4-165.9-150.7000114M1 S29 L30 A74 N78M1-F27 HydrophobicContact CE-CB 4.49Å; M1-F27 HydrophobicContact CE-CD2 3.29Å; M1-F27 HydrophobicContact CE-CE2 3.76Å; M1-F27 HydrophobicContact CE-CG 4.3Å; M1-F27 HydrophobicContact SD-CB 4.27Å; M1-F27 HydrophobicContact SD-CD2 3.3Å; M1-F27 WeakPolarHBondContact SD-CD2 3.33Å; M1-F27 HydrophobicContact SD-CE2 3.54Å; M1-F27 VanDerWaalsContact SD-CE2 3.54Å; M1-F27 HydrophobicContact SD-CG 4.05Å; M1-F27 HydrophobicContact SD-CZ 4.41Å; F27-S29 PolarHBondContact O-N 3.42Å; F27-L30 HydrophobicContact CD2-CB 4.46Å; F27-L30 HydrophobicContact CD2-CD2 4.27Å; F27-L30 HydrophobicContact CE2-CD2 4.2Å; F27-L30 WeakPolarHBondContact O-CB 3.05Å; F27-L30 PolarHBondContact O-N 3.44Å; F27-L30 VanDerWaalsContact O-N 3.09Å; F27-A74 HydrophobicContact CD1-CB 3.55Å; F27-A74 HydrophobicContact CD2-CB 4.08Å; F27-A74 HydrophobicContact CE1-CB 3.06Å; F27-A74 WeakPolarHBondContact CE1-O 3.43Å; F27-A74 HydrophobicContact CE2-CB 3.63Å; F27-A74 HydrophobicContact CG-CB 4.13Å; F27-A74 HydrophobicContact CZ-CB 3.15Å; F27-A74 VanDerWaalsContact CZ-O 3.31Å; F27-A74 WeakPolarHBondContact CZ-O 3.37Å; F27-N78 HydrophobicContact CE1-CB 4.18Å
28K74.6Confident82.2Confident204 Ų20466 Ų6689%0.88733%0.326SS*.G310 helixtrans-62-22174.9-63.5-178.6-179.8178.20112.7S26S26-K28 PolarHBondContact O-N 3.45Å; S26-K28 PolarHBondContact OG-N 3.36Å
29S82.2Confident82.7Confident46 Ų4664.4 Ų64.432%0.32232%0.316SS..G310 helixtrans-93.6-4.7178.170.80000114.2Y23 R25 S26 F27 N31Y23-S29 PolarHBondContact OH-O 3.05Å; Y23-S29 VanDerWaalsContact OH-O 3.1Å; Y23-S29 PolarHBondContact OH-OG 2.91Å; R25-S29 WeakPolarHBondContact CB-OG 3.26Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 3.46Å; S26-S29 PolarHBondContact O-OG 3.31Å; F27-S29 PolarHBondContact O-N 3.42Å; S29-N31 PolarHBondContact O-N 3.16Å; S29-N31 PolarHBondContact O-ND2 3.49Å
30L84.9Confident83Confident12 Ų1265.2 Ų65.26%0.06332%0.317CS..  trans-63.5130.4174.9-172.670000109.3M1 I3 Y23 F27 W34 I35 L70 M73M1-L30 HydrophobicContact CE-CB 4.4Å; M1-L30 HydrophobicContact CE-CD1 4.31Å; M1-L30 HydrophobicContact CE-CD2 4.12Å; I3-L30 HydrophobicContact CD1-CD1 3.76Å; I3-L30 HydrophobicContact CD1-CD2 4.17Å; Y23-L30 HydrophobicContact CD1-CD1 4.48Å; Y23-L30 HydrophobicContact CD2-CD1 4.21Å; Y23-L30 HydrophobicContact CE1-CB 4.25Å; Y23-L30 HydrophobicContact CE1-CD1 4.22Å; Y23-L30 HydrophobicContact CE2-CD1 3.98Å; Y23-L30 HydrophobicContact CG-CD1 4.41Å; Y23-L30 WeakPolarHBondContact OH-CA 3.35Å; Y23-L30 PolarHBondContact OH-N 3.04Å; F27-L30 HydrophobicContact CD2-CB 4.46Å; F27-L30 HydrophobicContact CD2-CD2 4.27Å; F27-L30 HydrophobicContact CE2-CD2 4.2Å; F27-L30 WeakPolarHBondContact O-CB 3.05Å; F27-L30 PolarHBondContact O-N 3.44Å; F27-L30 VanDerWaalsContact O-N 3.09Å; L30-W34 HydrophobicContact CD1-CD2 4.32Å; L30-W34 HydrophobicContact CD1-CE3 3.49Å; L30-W34 VanDerWaalsContact CD1-CE3 3.49Å; L30-W34 HydrophobicContact CD1-CZ3 3.86Å; L30-I35 HydrophobicContact CD1-CD1 4.43Å; L30-I35 HydrophobicContact CD1-CG1 4.16Å; L30-I35 HydrophobicContact CD2-CD1 4.28Å; L30-I35 HydrophobicContact CG-CD1 4.23Å; L30-I35 HydrophobicContact CG-CG1 4.49Å; L30-L70 HydrophobicContact CD2-CD1 4.09Å; L30-L70 HydrophobicContact CG-CD2 4.32Å; L30-L70 WeakPolarHBondContact O-CD2 3.15Å; L30-M73 HydrophobicContact CD2-CE 4.27Å
31N88.5Confident83.1Confident65 Ų6565.5 Ų65.535%0.34832%0.321SS..  trans-141.5165.5-179.664.350.7000110.7S29 D33 W34 I35S29-N31 PolarHBondContact O-N 3.16Å; S29-N31 PolarHBondContact O-ND2 3.49Å; N31-D33 VanDerWaalsContact C-N 3.31Å; N31-D33 PolarHBondContact O-N 3.5Å; N31-D33 PolarHBondContact OD1-N 3.04Å; N31-W34 PolarHBondContact O-N 3.27Å; N31-W34 PolarHBondContact OD1-N 3.28Å; N31-I35 WeakPolarHBondContact O-CG1 3.36Å; N31-I35 PolarHBondContact O-N 3.47Å
32L87.9Confident83.1Confident64 Ų6466 Ų6634%0.33532%0.324SS..Hα-helixtrans-65.4-31.8-176.6-67.8173.7000112.9I35 A36 L53 I64L32-I35 HydrophobicContact CD2-CD1 4.43Å; L32-I35 PolarHBondContact O-N 3.41Å; L32-A36 WeakPolarHBondContact O-CB 3.18Å; L32-A36 PolarHBondContact O-N 3.31Å; L32-L53 HydrophobicContact CD2-CD1 3.87Å; L32-I64 HydrophobicContact CD2-CG2 4.17Å
33D87.9Confident83Confident93 Ų9361.4 Ų61.450%0.49730%0.303SS..Hα-helixtrans-64.4-44.5177.9173.371.6000111.9N31 I35 A36 K37N31-D33 VanDerWaalsContact C-N 3.31Å; N31-D33 PolarHBondContact O-N 3.5Å; N31-D33 PolarHBondContact OD1-N 3.04Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.92Å; D33-A36 PolarHBondContact O-N 2.98Å; D33-K37 WeakPolarHBondContact O-CG 3.49Å; D33-K37 PolarHBondContact O-N 3.33Å; D33-K37 WeakPolarHBondContact OD1-CE 3.5Å; D33-K37 IonicContact OD1-NZ 3.05Å; D33-K37 PolarHBondContact OD1-NZ 3.15Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 3.47Å; D33-K37 PolarHBondContact OD2-NZ 3.44Å
34W89.2Confident82.6Confident57 Ų5765.2 Ų65.222%0.21632%0.323CS..Hα-helixtrans-63.2-42.9174.7-178.687.5000111.4I3 F5 I21 Y23 L30 N31 K37 A38I3-W34 HydrophobicContact CD1-CH2 3.98Å; I3-W34 HydrophobicContact CD1-CZ3 3.59Å; F5-W34 HydrophobicContact CE2-CH2 4.46Å; F5-W34 HydrophobicContact CE2-CZ3 4.35Å; F5-W34 HydrophobicContact CZ-CZ3 4.09Å; I21-W34 HydrophobicContact CG2-CH2 3.7Å; I21-W34 HydrophobicContact CG2-CZ2 3.83Å; Y23-W34 AromaticContact CD2-CD2 3.68Å; Y23-W34 HydrophobicContact CD2-CD2 3.68Å; Y23-W34 AromaticContact CD2-CE2 3.4Å; Y23-W34 AromaticContact CD2-CE3 3.95Å; Y23-W34 HydrophobicContact CD2-CE3 3.95Å; Y23-W34 HydrophobicContact CD2-CG 4.38Å; Y23-W34 AromaticContact CD2-CH2 3.75Å; Y23-W34 HydrophobicContact CD2-CH2 3.75Å; Y23-W34 AromaticContact CD2-CZ2 3.47Å; Y23-W34 HydrophobicContact CD2-CZ2 3.47Å; Y23-W34 VanDerWaalsContact CD2-CZ2 3.47Å; Y23-W34 AromaticContact CD2-CZ3 3.99Å; Y23-W34 HydrophobicContact CD2-CZ3 3.99Å; Y23-W34 AromaticContact CD2-NE1 3.89Å; Y23-W34 AromaticContact CE2-CD1 3.99Å; Y23-W34 AromaticContact CE2-CD2 3.6Å; Y23-W34 HydrophobicContact CE2-CD2 3.6Å; Y23-W34 AromaticContact CE2-CE2 3.68Å; Y23-W34 HydrophobicContact CE2-CE3 4.07Å; Y23-W34 AromaticContact CE2-CG 3.86Å; Y23-W34 HydrophobicContact CE2-CG 3.86Å; Y23-W34 HydrophobicContact CE2-CZ2 4.22Å; Y23-W34 AromaticContact CE2-NE1 3.86Å; Y23-W34 HydrophobicContact CG-CH2 4.36Å; Y23-W34 HydrophobicContact CG-CZ2 4.38Å; L30-W34 HydrophobicContact CD1-CD2 4.32Å; L30-W34 HydrophobicContact CD1-CE3 3.49Å; L30-W34 VanDerWaalsContact CD1-CE3 3.49Å; L30-W34 HydrophobicContact CD1-CZ3 3.86Å; N31-W34 PolarHBondContact O-N 3.27Å; N31-W34 PolarHBondContact OD1-N 3.28Å; W34-K37 PolarHBondContact O-N 3.01Å; W34-A38 HydrophobicContact CH2-CB 4.11Å; W34-A38 HydrophobicContact CZ2-CB 4.27Å; W34-A38 HydrophobicContact CZ3-CB 4.22Å; W34-A38 WeakPolarHBondContact O-CB 3.25Å; W34-A38 PolarHBondContact O-N 3.38Å
35I90Very high82.3Confident0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-59.8-48177.5-70.3165.8000110.3F5 L30 N31 L32 D33 K37 A38 I39 L53 L70 I86F5-I35 HydrophobicContact CE1-CG2 3.71Å; F5-I35 HydrophobicContact CZ-CG2 4.09Å; L30-I35 HydrophobicContact CD1-CD1 4.43Å; L30-I35 HydrophobicContact CD1-CG1 4.16Å; L30-I35 HydrophobicContact CD2-CD1 4.28Å; L30-I35 HydrophobicContact CG-CD1 4.23Å; L30-I35 HydrophobicContact CG-CG1 4.49Å; N31-I35 WeakPolarHBondContact O-CG1 3.36Å; N31-I35 PolarHBondContact O-N 3.47Å; L32-I35 HydrophobicContact CD2-CD1 4.43Å; L32-I35 PolarHBondContact O-N 3.41Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.92Å; I35-K37 PolarHBondContact O-N 3.47Å; I35-A38 WeakPolarHBondContact O-CB 3.48Å; I35-A38 PolarHBondContact O-N 2.92Å; I35-I39 HydrophobicContact CG2-CD1 3.54Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 WeakPolarHBondContact O-CD1 3.11Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.28Å; I35-I39 PolarHBondContact O-N 3.32Å; I35-L53 HydrophobicContact CG2-CD1 3.65Å; I35-L53 HydrophobicContact CG2-CD2 4.4Å; I35-L70 HydrophobicContact CD1-CD1 3.66Å; I35-L70 HydrophobicContact CD1-CD2 4.27Å; I35-I86 HydrophobicContact CD1-CD1 3.9Å; I35-I86 HydrophobicContact CG1-CD1 4.23Å
36A88.2Confident82Confident36 Ų3659 Ų5930%0.29830%0.296SS..Hα-helixtrans-58.7-48177.700000111.5L32 D33 A38 I39 F40L32-A36 WeakPolarHBondContact O-CB 3.18Å; L32-A36 PolarHBondContact O-N 3.31Å; D33-A36 PolarHBondContact O-N 2.98Å; A36-A38 VanDerWaalsContact C-N 3.32Å; A36-A38 PolarHBondContact O-N 2.94Å; A36-I39 PolarHBondContact O-N 3.32Å; A36-F40 HydrophobicContact CB-CE2 4.19Å; A36-F40 WeakPolarHBondContact O-CD2 3.37Å; A36-F40 PolarHBondContact O-N 2.67Å
37K86.1Confident81.9Confident112 Ų11266.2 Ų66.249%0.48731%0.312SS..Hα-helixtrans-57.6-43.6176.2-75.1169.5-179.91630112.1D33 W34 I35 F40 Q41D33-K37 WeakPolarHBondContact O-CG 3.49Å; D33-K37 PolarHBondContact O-N 3.33Å; D33-K37 WeakPolarHBondContact OD1-CE 3.5Å; D33-K37 IonicContact OD1-NZ 3.05Å; D33-K37 PolarHBondContact OD1-NZ 3.15Å; D33-K37 WeakPolarHBondContact OD2-CE 3.48Å; D33-K37 IonicContact OD2-NZ 3.47Å; D33-K37 PolarHBondContact OD2-NZ 3.44Å; W34-K37 PolarHBondContact O-N 3.01Å; I35-K37 PolarHBondContact O-N 3.47Å; K37-F40 PolarHBondContact O-N 3.39Å; K37-Q41 WeakPolarHBondContact O-CB 3.48Å; K37-Q41 VanDerWaalsContact O-CG 3.26Å; K37-Q41 WeakPolarHBondContact O-CG 3.28Å; K37-Q41 PolarHBondContact O-N 2.96Å
38A86.7Confident82.1Confident2 Ų268.6 Ų68.62%0.01733%0.327CS..Hα-helixtrans-63.9-42.5177.200000111.8F5 I21 W34 I35 A36 Q41 I42F5-A38 HydrophobicContact CE2-CB 3.88Å; F5-A38 HydrophobicContact CZ-CB 4.08Å; I21-A38 HydrophobicContact CD1-CB 3.89Å; W34-A38 HydrophobicContact CH2-CB 4.11Å; W34-A38 HydrophobicContact CZ2-CB 4.27Å; W34-A38 HydrophobicContact CZ3-CB 4.22Å; W34-A38 WeakPolarHBondContact O-CB 3.25Å; W34-A38 PolarHBondContact O-N 3.38Å; I35-A38 WeakPolarHBondContact O-CB 3.48Å; I35-A38 PolarHBondContact O-N 2.92Å; A36-A38 VanDerWaalsContact C-N 3.32Å; A36-A38 PolarHBondContact O-N 2.94Å; A38-Q41 WeakPolarHBondContact O-CB 3.33Å; A38-Q41 PolarHBondContact O-N 2.94Å; A38-I42 WeakPolarHBondContact O-CG1 3.5Å; A38-I42 PolarHBondContact O-N 2.91Å
39I86.1Confident82.3Confident2 Ų260.1 Ų60.11%0.0129%0.292CS..Hα-helixtrans-62.2-46.7176.9-69.9161.2000111.1F5 F7 I35 A36 Q41 I42 T43 F51 L53 T88F5-I39 HydrophobicContact CD1-CG1 4.09Å; F5-I39 HydrophobicContact CE1-CD1 4.24Å; F5-I39 HydrophobicContact CE1-CG1 4.01Å; F5-I39 HydrophobicContact CZ-CG1 4.5Å; F7-I39 HydrophobicContact CE1-CG2 4.13Å; F7-I39 HydrophobicContact CZ-CG2 4.48Å; I35-I39 HydrophobicContact CG2-CD1 3.54Å; I35-I39 HydrophobicContact CG2-CG1 4.35Å; I35-I39 WeakPolarHBondContact O-CD1 3.11Å; I35-I39 VanDerWaalsContact O-CG1 3.28Å; I35-I39 WeakPolarHBondContact O-CG1 3.28Å; I35-I39 PolarHBondContact O-N 3.32Å; A36-I39 PolarHBondContact O-N 3.32Å; I39-Q41 VanDerWaalsContact C-N 3.27Å; I39-Q41 PolarHBondContact O-N 3.08Å; I39-I42 PolarHBondContact O-N 2.98Å; I39-I42 VanDerWaalsContact O-N 3.15Å; I39-T43 HydrophobicContact CG2-CG2 4.13Å; I39-T43 WeakPolarHBondContact O-CB 3.39Å; I39-T43 WeakPolarHBondContact O-CG2 3.45Å; I39-T43 PolarHBondContact O-N 3.28Å; I39-T43 PolarHBondContact O-OG1 2.81Å; I39-F51 HydrophobicContact CG2-CD1 4.18Å; I39-F51 HydrophobicContact CG2-CD2 4.02Å; I39-F51 HydrophobicContact CG2-CE1 3.89Å; I39-F51 HydrophobicContact CG2-CE2 3.73Å; I39-F51 HydrophobicContact CG2-CG 4.23Å; I39-F51 HydrophobicContact CG2-CZ 3.65Å; I39-L53 HydrophobicContact CD1-CD2 3.6Å; I39-T88 HydrophobicContact CD1-CG2 3.57Å; I39-T88 HydrophobicContact CG1-CG2 3.92Å; I39-T88 HydrophobicContact CG2-CG2 3.9Å
40F83.8Confident82.3Confident42 Ų4263.6 Ų63.618%0.18431%0.307CS..Hα-helixtrans-63.9-34.3177.3-68.7-57.2000112.3A36 K37 N44 K46 R47 F51A36-F40 HydrophobicContact CB-CE2 4.19Å; A36-F40 WeakPolarHBondContact O-CD2 3.37Å; A36-F40 PolarHBondContact O-N 2.67Å; K37-F40 PolarHBondContact O-N 3.39Å; F40-N44 WeakPolarHBondContact O-CA 3.34Å; F40-N44 PolarHBondContact O-N 2.99Å; F40-K46 WeakPolarHBondContact CE1-O 3.42Å; F40-R47 VanDerWaalsContact CZ-O 3.23Å; F40-R47 WeakPolarHBondContact CZ-O 3.22Å; F40-F51 HydrophobicContact CD1-CE2 4.25Å; F40-F51 HydrophobicContact CE1-CD2 4.46Å; F40-F51 AromaticContact CE1-CE2 3.62Å; F40-F51 HydrophobicContact CE1-CE2 3.62Å; F40-F51 HydrophobicContact CE1-CZ 4.5Å; F40-F51 HydrophobicContact CZ-CD2 4.48Å; F40-F51 HydrophobicContact CZ-CE2 4.06Å
41Q79.9Confident82.4Confident86 Ų8664.8 Ų64.840%0.40231%0.311SS..Hα-helixtrans-68.8-33.6172.9-74.4176-2.600113.2K37 A38 I39 N201 L203K37-Q41 WeakPolarHBondContact O-CB 3.48Å; K37-Q41 VanDerWaalsContact O-CG 3.26Å; K37-Q41 WeakPolarHBondContact O-CG 3.28Å; K37-Q41 PolarHBondContact O-N 2.96Å; A38-Q41 WeakPolarHBondContact O-CB 3.33Å; A38-Q41 PolarHBondContact O-N 2.94Å; I39-Q41 VanDerWaalsContact C-N 3.27Å; I39-Q41 PolarHBondContact O-N 3.08Å; Q41-N201 PolarHBondContact OE1-ND2 2.83Å; Q41-L203 WeakPolarHBondContact O-CD1 3.41Å; Q41-L203 WeakPolarHBondContact O-CG 3.35Å
42I77.8Confident82.5Confident21 Ų2162.1 Ų62.111%0.10830%0.298CS..Hα-helixtrans-75.4-50.1177-71.8160.9000110.6F5 F7 C19 I21 A38 I39 F102 W199F5-I42 HydrophobicContact CB-CD1 4.18Å; F5-I42 HydrophobicContact CD2-CD1 3.53Å; F5-I42 HydrophobicContact CE2-CD1 4.25Å; F5-I42 HydrophobicContact CG-CD1 4.08Å; F7-I42 HydrophobicContact CE2-CD1 4.38Å; F7-I42 HydrophobicContact CE2-CG2 3.77Å; F7-I42 HydrophobicContact CZ-CB 4.41Å; F7-I42 HydrophobicContact CZ-CD1 4.35Å; F7-I42 HydrophobicContact CZ-CG2 3.98Å; C19-I42 HydrophobicContact CB-CD1 3.75Å; C19-I42 HydrophobicContact CB-CG1 4.16Å; C19-I42 HydrophobicContact CB-CG2 3.9Å; C19-I42 WeakPolarHBondContact SG-CG2 3.46Å; I21-I42 HydrophobicContact CD1-CD1 3.31Å; I21-I42 HydrophobicContact CD1-CG1 3.75Å; I21-I42 HydrophobicContact CG1-CD1 4.08Å; A38-I42 WeakPolarHBondContact O-CG1 3.5Å; A38-I42 PolarHBondContact O-N 2.91Å; I39-I42 PolarHBondContact O-N 2.98Å; I39-I42 VanDerWaalsContact O-N 3.15Å; I42-F102 HydrophobicContact CG2-CZ 4.32Å; I42-W199 HydrophobicContact CG1-CZ3 4.4Å
43T74.2Confident82.7Confident3 Ų359.9 Ų59.92%0.01829%0.286CS..Hα-helixtrans-85.6-21.4-166.761.30000112.8F7 I39 L45 F102F7-T43 HydrophobicContact CD1-CG2 4.1Å; F7-T43 HydrophobicContact CE1-CG2 3.44Å; F7-T43 VanDerWaalsContact CE1-CG2 3.44Å; F7-T43 HydrophobicContact CZ-CG2 3.72Å; I39-T43 HydrophobicContact CG2-CG2 4.13Å; I39-T43 WeakPolarHBondContact O-CB 3.39Å; I39-T43 WeakPolarHBondContact O-CG2 3.45Å; I39-T43 PolarHBondContact O-N 3.28Å; I39-T43 PolarHBondContact O-OG1 2.81Å; T43-L45 HydrophobicContact CG2-CD1 4.21Å; T43-L45 PolarHBondContact O-N 3.47Å; T43-L45 PolarHBondContact OG1-N 2.84Å; T43-F102 HydrophobicContact CG2-CE1 3.94Å; T43-F102 HydrophobicContact CG2-CE2 4.35Å; T43-F102 HydrophobicContact CG2-CZ 3.84Å
44N73.3Confident82.9Confident82 Ų8257.4 Ų57.444%0.43927%0.27SS..  trans52.131.3-171.5-162.725.4000112.7F40F40-N44 WeakPolarHBondContact O-CA 3.34Å; F40-N44 PolarHBondContact O-N 2.99Å
45L73.7Confident83.1Confident32 Ų3255.4 Ų55.417%0.16826%0.263CS..  trans-81.1162.2175-66.1170.3000110.6T43 T49 F51 N100 F103T43-L45 HydrophobicContact CG2-CD1 4.21Å; T43-L45 PolarHBondContact O-N 3.47Å; T43-L45 PolarHBondContact OG1-N 2.84Å; L45-T49 HydrophobicContact CD1-CG2 4.41Å; L45-F51 HydrophobicContact CB-CZ 4.46Å; L45-F51 HydrophobicContact CD1-CE1 4.01Å; L45-F51 HydrophobicContact CD1-CZ 3.64Å; L45-N100 WeakPolarHBondContact CD2-ND2 3.45Å; L45-F103 HydrophobicContact CD1-CE2 3.8Å; L45-F103 HydrophobicContact CD1-CZ 3.77Å
46K74.9Confident83Confident156 Ų15658.7 Ų58.768%0.67828%0.275SS*.  trans-63.3145177.3-62.4-177.7178.8-179.90109.7F40 D48 T49F40-K46 WeakPolarHBondContact CE1-O 3.42Å; K46-D48 WeakPolarHBondContact CB-OD1 3.38Å; K46-D48 PolarHBondContact O-N 3.25Å; K46-D48 VanDerWaalsContact O-N 3.16Å; K46-T49 VanDerWaalsContact O-CB 3.24Å; K46-T49 WeakPolarHBondContact O-CB 3.29Å; K46-T49 PolarHBondContact O-N 2.93Å; K46-T49 PolarHBondContact O-OG1 2.9Å
47R76.6Confident82.9Confident224 Ų22457 Ų5785%0.84526%0.262SS*.THydrogen-bonded Turntrans-66-16.7-174.8-68.7-174.6-179.6173.31.1114.6F40 T49F40-R47 VanDerWaalsContact CZ-O 3.23Å; F40-R47 WeakPolarHBondContact CZ-O 3.22Å; R47-T49 VanDerWaalsContact C-N 3.33Å
48D77.6Confident82.8Confident101 Ų10157.5 Ų57.554%0.5427%0.27SS..THydrogen-bonded Turntrans-84.5-6.3173.960.6-15.3000112.9K46 L50K46-D48 WeakPolarHBondContact CB-OD1 3.38Å; K46-D48 PolarHBondContact O-N 3.25Å; K46-D48 VanDerWaalsContact O-N 3.16Å; D48-L50 PolarHBondContact O-N 2.88Å
49T78.8Confident82.7Confident26 Ų2664.1 Ų64.116%0.1631%0.305CS..  trans-66.7119.6175.8-55.50000109.4L45 K46 R47 F51 P90L45-T49 HydrophobicContact CD1-CG2 4.41Å; K46-T49 VanDerWaalsContact O-CB 3.24Å; K46-T49 WeakPolarHBondContact O-CB 3.29Å; K46-T49 PolarHBondContact O-N 2.93Å; K46-T49 PolarHBondContact O-OG1 2.9Å; R47-T49 VanDerWaalsContact C-N 3.33Å; T49-F51 HydrophobicContact CG2-CE1 4.33Å; T49-F51 HydrophobicContact CG2-CE2 3.83Å; T49-F51 HydrophobicContact CG2-CZ 3.72Å; T49-F51 WeakPolarHBondContact O-CD2 3.43Å; T49-F51 WeakPolarHBondContact O-CE2 3.27Å; T49-P90 HydrophobicContact CG2-CB 4.42Å
50L82.8Confident82.8Confident120 Ų12070 Ų7063%0.62833%0.33SS*.  trans-82141.2177.9-62.6176000110.2D48 P90 H91D48-L50 PolarHBondContact O-N 2.88Å; L50-P90 WeakPolarHBondContact O-CA 3.34Å; L50-H91 HydrophobicContact CB-CB 4.1Å; L50-H91 PolarHBondContact O-N 3.42Å
51F87Confident83Confident37 Ų3769.8 Ų69.816%0.16233%0.329CS..EExtended strand (participates in β ladder)trans-126.6134.5174.7-61.7-91.7000110.8I39 F40 L45 T49 L53 T88 I89 P90 F103I39-F51 HydrophobicContact CG2-CD1 4.18Å; I39-F51 HydrophobicContact CG2-CD2 4.02Å; I39-F51 HydrophobicContact CG2-CE1 3.89Å; I39-F51 HydrophobicContact CG2-CE2 3.73Å; I39-F51 HydrophobicContact CG2-CG 4.23Å; I39-F51 HydrophobicContact CG2-CZ 3.65Å; F40-F51 HydrophobicContact CD1-CE2 4.25Å; F40-F51 HydrophobicContact CE1-CD2 4.46Å; F40-F51 AromaticContact CE1-CE2 3.62Å; F40-F51 HydrophobicContact CE1-CE2 3.62Å; F40-F51 HydrophobicContact CE1-CZ 4.5Å; F40-F51 HydrophobicContact CZ-CD2 4.48Å; F40-F51 HydrophobicContact CZ-CE2 4.06Å; L45-F51 HydrophobicContact CB-CZ 4.46Å; L45-F51 HydrophobicContact CD1-CE1 4.01Å; L45-F51 HydrophobicContact CD1-CZ 3.64Å; T49-F51 HydrophobicContact CG2-CE1 4.33Å; T49-F51 HydrophobicContact CG2-CE2 3.83Å; T49-F51 HydrophobicContact CG2-CZ 3.72Å; T49-F51 WeakPolarHBondContact O-CD2 3.43Å; T49-F51 WeakPolarHBondContact O-CE2 3.27Å; F51-L53 HydrophobicContact CB-CD2 4.33Å; F51-T88 HydrophobicContact CB-CG2 4.1Å; F51-T88 HydrophobicContact CD1-CG2 3.48Å; F51-T88 VanDerWaalsContact CD1-CG2 3.48Å; F51-T88 HydrophobicContact CE1-CG2 4.14Å; F51-T88 HydrophobicContact CG-CG2 3.96Å; F51-I89 CarbonylContact C-O 3.57Å; F51-I89 WeakPolarHBondContact CA-O 3.46Å; F51-P90 HydrophobicContact CD1-CB 3.99Å; F51-P90 HydrophobicContact CE1-CB 3.83Å; F51-F103 HydrophobicContact CE1-CZ 4.46Å
52S89.6Confident83.5Confident9 Ų967.5 Ų67.56%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-87.1132.8159.4-83.40000109.6Q63 I89 H91S52-Q63 PolarHBondContact OG-NE2 3.38Å; S52-I89 PolarHBondContact N-O 2.8Å; S52-I89 PolarHBondContact O-N 2.81Å; S52-H91 PolarHBondContact N-CD2 2.9Å; S52-H91 PolarHBondContact N-NE2 2.9Å; S52-H91 PolarHBondContact OG-CE1 2.94Å; S52-H91 VanDerWaalsContact OG-CE1 3.31Å; S52-H91 PolarHBondContact OG-NE2 3Å
53L92.7Very high84.2Confident17 Ų1770.3 Ų70.39%0.08933%0.334CS..EExtended strand (participates in β ladder)trans-108.2136.9179.7-55.8179.6000108.9L32 I35 I39 F51 Q63 I64 I86 Y87 T88L32-L53 HydrophobicContact CD2-CD1 3.87Å; I35-L53 HydrophobicContact CG2-CD1 3.65Å; I35-L53 HydrophobicContact CG2-CD2 4.4Å; I39-L53 HydrophobicContact CD1-CD2 3.6Å; F51-L53 HydrophobicContact CB-CD2 4.33Å; L53-Q63 CarbonylContact O-C 3.56Å; L53-Q63 WeakPolarHBondContact O-CA 3.47Å; L53-I64 HydrophobicContact CB-CB 4.05Å; L53-I64 HydrophobicContact CB-CD1 4.15Å; L53-I64 PolarHBondContact O-N 3.48Å; L53-I86 HydrophobicContact CB-CG2 4.25Å; L53-I86 HydrophobicContact CD2-CG2 4.17Å; L53-Y87 CarbonylContact C-O 3.06Å; L53-Y87 WeakPolarHBondContact CA-O 3.23Å; L53-T88 HydrophobicContact CD2-CG2 3.91Å
54Y92.7Very high85.1Confident40 Ų4070.6 Ų70.616%0.15734%0.335CS..EExtended strand (participates in β ladder)trans-134.4156.6177.5-57.4-99.6000110.6F61 V62 Q63 I86 Y87 I89Y54-F61 HydrophobicContact CD1-CB 4.06Å; Y54-V62 VanDerWaalsContact CA-O 3.26Å; Y54-V62 WeakPolarHBondContact CA-O 3.22Å; Y54-Q63 HydrophobicContact CD1-CB 3.74Å; Y54-Q63 HydrophobicContact CD1-CG 4.02Å; Y54-Q63 HydrophobicContact CE1-CB 3.51Å; Y54-Q63 HydrophobicContact CE1-CG 3.57Å; Y54-Q63 HydrophobicContact CE2-CG 4.45Å; Y54-I86 CarbonylContact O-C 3.56Å; Y54-Y87 PolarHBondContact N-O 3.03Å; Y54-Y87 PolarHBondContact O-N 3.23Å; Y54-I89 HydrophobicContact CD2-CD1 3.63Å; Y54-I89 HydrophobicContact CD2-CG1 4.28Å; Y54-I89 HydrophobicContact CE2-CB 4.36Å; Y54-I89 HydrophobicContact CE2-CD1 3.57Å; Y54-I89 HydrophobicContact CE2-CG1 4.32Å
55Y91.9Very high85.8Confident16 Ų1670.8 Ų70.86%0.06334%0.339CS..EExtended strand (participates in β ladder)trans-120.8155.1156.575.1-82.3000109.4V62 I64 M73 Y76 F77Y55-V62 HydrophobicContact CD1-CB 3.93Å; Y55-V62 HydrophobicContact CD1-CG1 4.32Å; Y55-V62 HydrophobicContact CE1-CB 3.43Å; Y55-V62 VanDerWaalsContact CE1-CB 3.43Å; Y55-V62 HydrophobicContact CE1-CG1 3.5Å; Y55-V62 VanDerWaalsContact CE1-CG1 3.5Å; Y55-V62 HydrophobicContact CE1-CG2 4.26Å; Y55-V62 HydrophobicContact CE2-CB 4.39Å; Y55-V62 HydrophobicContact CE2-CG2 4.47Å; Y55-V62 PolarHBondContact N-O 3.5Å; Y55-V62 PolarHBondContact O-N 2.92Å; Y55-I64 HydrophobicContact CD1-CD1 4.43Å; Y55-I64 HydrophobicContact CD1-CG1 4.07Å; Y55-M73 HydrophobicContact CD1-CB 3.59Å; Y55-M73 HydrophobicContact CD1-CG 3.68Å; Y55-M73 HydrophobicContact CD2-CG 4.27Å; Y55-M73 HydrophobicContact CE1-CB 3.81Å; Y55-M73 HydrophobicContact CE1-CG 4.37Å; Y55-M73 HydrophobicContact CG-CB 4Å; Y55-M73 HydrophobicContact CG-CG 3.62Å; Y55-Y76 HydrophobicContact CD2-CD1 4.16Å; Y55-Y76 HydrophobicContact CE2-CD1 4.16Å; Y55-Y76 HydrophobicContact CE2-CG 4.12Å; Y55-F77 HydrophobicContact CD2-CE2 4.47Å; Y55-F77 HydrophobicContact CG-CE2 4.48Å
56Y88.4Confident86.4Confident69 Ų6972.3 Ų72.327%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-101.2116.7175.9-169.3-102000108.8N59 K60 F61 I116Y56-N59 WeakPolarHBondContact OH-CA 3.41Å; Y56-N59 PolarHBondContact OH-O 3.25Å; Y56-K60 WeakPolarHBondContact CA-O 3.43Å; Y56-F61 HydrophobicContact CD2-CD1 4.01Å; Y56-F61 HydrophobicContact CD2-CD2 4.04Å; Y56-F61 AromaticContact CD2-CE1 3.94Å; Y56-F61 HydrophobicContact CD2-CE1 3.94Å; Y56-F61 AromaticContact CD2-CE2 3.97Å; Y56-F61 HydrophobicContact CD2-CE2 3.97Å; Y56-F61 HydrophobicContact CD2-CG 4.07Å; Y56-F61 AromaticContact CD2-CZ 3.93Å; Y56-F61 HydrophobicContact CD2-CZ 3.93Å; Y56-F61 HydrophobicContact CE2-CD2 4.37Å; Y56-F61 HydrophobicContact CE2-CE2 4.26Å; Y56-F61 HydrophobicContact CG-CE1 4.47Å; Y56-I116 HydrophobicContact CD2-CG2 4.41Å; Y56-I116 HydrophobicContact CE2-CG2 4.11Å
57G85.7Confident87.1Confident1 Ų171.9 Ų71.91%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-152.7149179.100000110.6N59 K60 Y76G57-N59 PolarHBondContact O-N 3.31Å; G57-K60 PolarHBondContact N-O 3.12Å; G57-K60 WeakPolarHBondContact O-CG 2.95Å; G57-K60 PolarHBondContact O-N 3.06Å; G57-Y76 WeakPolarHBondContact CA-OH 3.47Å
58D84.9Confident87.6Confident122 Ų12265 Ų6565%0.65233%0.334SS*.THydrogen-bonded Turntrans50.343.1-176.1-50.9-36.4000112.8K60D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 VanDerWaalsContact O-N 3.14Å
59N83.9Confident88.2Confident141 Ų14161.7 Ų61.775%0.75432%0.319SS*.THydrogen-bonded Turntrans5918.5-178.4-61.9-27.3000116.1Y56 G57Y56-N59 WeakPolarHBondContact OH-CA 3.41Å; Y56-N59 PolarHBondContact OH-O 3.25Å; G57-N59 PolarHBondContact O-N 3.31Å
60K88.1Confident88.8Confident125 Ų12560.8 Ų60.854%0.54331%0.313SS..EExtended strand (participates in β ladder)trans-136.9157.8178.263.4-176.2176.6-172.20112.6Y56 G57 D58 V62Y56-K60 WeakPolarHBondContact CA-O 3.43Å; G57-K60 PolarHBondContact N-O 3.12Å; G57-K60 WeakPolarHBondContact O-CG 2.95Å; G57-K60 PolarHBondContact O-N 3.06Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 VanDerWaalsContact O-N 3.14Å; K60-V62 HydrophobicContact CG-CG2 4.18Å
61F89.6Confident89.1Confident37 Ų3761.6 Ų61.616%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-80.8127.7168.4-74.8-75.1000110.2Y54 Y56 Y87 P112 L115 I116Y54-F61 HydrophobicContact CD1-CB 4.06Å; Y56-F61 HydrophobicContact CD2-CD1 4.01Å; Y56-F61 HydrophobicContact CD2-CD2 4.04Å; Y56-F61 AromaticContact CD2-CE1 3.94Å; Y56-F61 HydrophobicContact CD2-CE1 3.94Å; Y56-F61 AromaticContact CD2-CE2 3.97Å; Y56-F61 HydrophobicContact CD2-CE2 3.97Å; Y56-F61 HydrophobicContact CD2-CG 4.07Å; Y56-F61 AromaticContact CD2-CZ 3.93Å; Y56-F61 HydrophobicContact CD2-CZ 3.93Å; Y56-F61 HydrophobicContact CE2-CD2 4.37Å; Y56-F61 HydrophobicContact CE2-CE2 4.26Å; Y56-F61 HydrophobicContact CG-CE1 4.47Å; F61-Y87 HydrophobicContact CD1-CD2 4.42Å; F61-Y87 AromaticContact CE1-CD1 3.95Å; F61-Y87 HydrophobicContact CE1-CD1 3.95Å; F61-Y87 AromaticContact CE1-CD2 3.85Å; F61-Y87 HydrophobicContact CE1-CD2 3.85Å; F61-Y87 HydrophobicContact CE1-CE1 4.07Å; F61-Y87 HydrophobicContact CE1-CE2 4.03Å; F61-Y87 AromaticContact CE1-CG 3.8Å; F61-Y87 HydrophobicContact CE1-CG 3.8Å; F61-Y87 HydrophobicContact CZ-CE1 4.4Å; F61-P112 HydrophobicContact CB-CG 4.14Å; F61-P112 HydrophobicContact CD1-CB 4.26Å; F61-P112 HydrophobicContact CD2-CB 3.91Å; F61-P112 HydrophobicContact CD2-CG 3.62Å; F61-P112 HydrophobicContact CE1-CB 4.33Å; F61-P112 HydrophobicContact CE2-CB 3.99Å; F61-P112 HydrophobicContact CE2-CG 4.12Å; F61-P112 HydrophobicContact CG-CB 4.04Å; F61-P112 HydrophobicContact CG-CG 3.85Å; F61-P112 HydrophobicContact CZ-CB 4.19Å; F61-L115 HydrophobicContact CE1-CD1 4.45Å; F61-L115 HydrophobicContact CZ-CB 4.02Å; F61-L115 HydrophobicContact CZ-CD1 4.38Å; F61-I116 HydrophobicContact CE2-CD1 4.29Å; F61-I116 HydrophobicContact CE2-CG1 4.26Å; F61-I116 HydrophobicContact CE2-CG2 3.83Å; F61-I116 HydrophobicContact CZ-CG2 3.75Å
62V89.9Confident89.2Confident38 Ų3863.4 Ų63.423%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-114.7120.4174.9-178.60000108.4Y54 Y55 K60Y54-V62 VanDerWaalsContact CA-O 3.26Å; Y54-V62 WeakPolarHBondContact CA-O 3.22Å; Y55-V62 HydrophobicContact CD1-CB 3.93Å; Y55-V62 HydrophobicContact CD1-CG1 4.32Å; Y55-V62 HydrophobicContact CE1-CB 3.43Å; Y55-V62 VanDerWaalsContact CE1-CB 3.43Å; Y55-V62 HydrophobicContact CE1-CG1 3.5Å; Y55-V62 VanDerWaalsContact CE1-CG1 3.5Å; Y55-V62 HydrophobicContact CE1-CG2 4.26Å; Y55-V62 HydrophobicContact CE2-CB 4.39Å; Y55-V62 HydrophobicContact CE2-CG2 4.47Å; Y55-V62 PolarHBondContact N-O 3.5Å; Y55-V62 PolarHBondContact O-N 2.92Å; K60-V62 HydrophobicContact CG-CG2 4.18Å
63Q92.6Very high89.3Confident80 Ų8063 Ų6337%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-73.3138-179.3-159.5177.98.100111S52 L53 Y54 T65S52-Q63 PolarHBondContact OG-NE2 3.38Å; L53-Q63 CarbonylContact O-C 3.56Å; L53-Q63 WeakPolarHBondContact O-CA 3.47Å; Y54-Q63 HydrophobicContact CD1-CB 3.74Å; Y54-Q63 HydrophobicContact CD1-CG 4.02Å; Y54-Q63 HydrophobicContact CE1-CB 3.51Å; Y54-Q63 HydrophobicContact CE1-CG 3.57Å; Y54-Q63 HydrophobicContact CE2-CG 4.45Å; Q63-T65 HydrophobicContact CB-CG2 4.22Å; Q63-T65 HydrophobicContact CG-CG2 3.78Å; Q63-T65 PolarHBondContact O-N 2.61Å
64I91.8Very high89.1Confident9 Ų962.6 Ų62.65%0.04632%0.322CS..  trans-98.584.6179-51.2164.1000107.7L32 L53 Y55 C69 L70 M73 I86L32-I64 HydrophobicContact CD2-CG2 4.17Å; L53-I64 HydrophobicContact CB-CB 4.05Å; L53-I64 HydrophobicContact CB-CD1 4.15Å; L53-I64 PolarHBondContact O-N 3.48Å; Y55-I64 HydrophobicContact CD1-CD1 4.43Å; Y55-I64 HydrophobicContact CD1-CG1 4.07Å; I64-C69 HydrophobicContact CG2-CB 4.26Å; I64-L70 HydrophobicContact CG2-CB 3.98Å; I64-L70 HydrophobicContact CG2-CD1 4.07Å; I64-M73 HydrophobicContact CD1-CG 4.37Å; I64-M73 HydrophobicContact CD1-SD 3.41Å; I64-M73 WeakPolarHBondContact CD1-SD 3.32Å; I64-M73 HydrophobicContact CG1-SD 4.4Å; I64-I86 HydrophobicContact CD1-CG2 4.32Å
65T87.9Confident88.8Confident86 Ų8667.1 Ų67.153%0.52834%0.342SS..  trans-96-26.5-178.153.80000113Q63Q63-T65 HydrophobicContact CB-CG2 4.22Å; Q63-T65 HydrophobicContact CG-CG2 3.78Å; Q63-T65 PolarHBondContact O-N 2.61Å
66T88.2Confident88.8Confident64 Ų6468.9 Ų68.939%0.39335%0.349SS..SBendtrans-128.7164.6-174.8710000112.5S68 C69 L70T66-S68 PolarHBondContact O-N 3.42Å; T66-S68 PolarHBondContact OG1-N 3.28Å; T66-C69 WeakPolarHBondContact O-CB 3.27Å; T66-C69 PolarHBondContact O-N 3.33Å; T66-C69 PolarHBondContact OG1-N 3.18Å; T66-C69 PolarHBondContact OG1-SG 3.33Å; T66-L70 PolarHBondContact O-N 3.47Å
67K88Confident88.8Confident148 Ų14865.9 Ų65.964%0.64334%0.338SS*.Hα-helixtrans-58.2-32.1170.4-172.6177.4-177178.30112.2L70 K71K67-L70 PolarHBondContact O-N 2.84Å; K67-K71 WeakPolarHBondContact O-CG 3.39Å; K67-K71 PolarHBondContact O-N 3.46Å; K67-K71 VanDerWaalsContact O-N 3.13Å
68S88.4Confident88.8Confident79 Ų7971.1 Ų71.155%0.55237%0.366SS*.Hα-helixtrans-65.7-48.6175.6-169.60000110.7T66 L70 K71 T72T66-S68 PolarHBondContact O-N 3.42Å; T66-S68 PolarHBondContact OG1-N 3.28Å; S68-L70 VanDerWaalsContact C-N 3.26Å; S68-L70 PolarHBondContact O-N 3.41Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 2.85Å; S68-T72 PolarHBondContact O-N 3.29Å; S68-T72 PolarHBondContact O-OG1 2.98Å
69C89.8Confident88.9Confident32 Ų3270.2 Ų70.222%0.21636%0.36CS..Hα-helixtrans-56.6-40.9175.3-60.20000112I64 T66 K71 T72 M73I64-C69 HydrophobicContact CG2-CB 4.26Å; T66-C69 WeakPolarHBondContact O-CB 3.27Å; T66-C69 PolarHBondContact O-N 3.33Å; T66-C69 PolarHBondContact OG1-N 3.18Å; T66-C69 PolarHBondContact OG1-SG 3.33Å; C69-K71 VanDerWaalsContact C-N 3.34Å; C69-K71 PolarHBondContact O-N 3.26Å; C69-T72 PolarHBondContact O-N 3.33Å; C69-M73 WeakPolarHBondContact O-CB 3.45Å; C69-M73 PolarHBondContact O-N 3.31Å
70L90.2Very high89.1Confident7 Ų767.5 Ų67.54%0.03735%0.346CS..Hα-helixtrans-63.3-39177.1-173.367.6000112.1L30 I35 I64 T66 K67 S68 M73 A74L30-L70 HydrophobicContact CD2-CD1 4.09Å; L30-L70 HydrophobicContact CG-CD2 4.32Å; L30-L70 WeakPolarHBondContact O-CD2 3.15Å; I35-L70 HydrophobicContact CD1-CD1 3.66Å; I35-L70 HydrophobicContact CD1-CD2 4.27Å; I64-L70 HydrophobicContact CG2-CB 3.98Å; I64-L70 HydrophobicContact CG2-CD1 4.07Å; T66-L70 PolarHBondContact O-N 3.47Å; K67-L70 PolarHBondContact O-N 2.84Å; S68-L70 VanDerWaalsContact C-N 3.26Å; S68-L70 PolarHBondContact O-N 3.41Å; L70-M73 HydrophobicContact CD1-CE 3.55Å; L70-M73 HydrophobicContact CD1-SD 4.26Å; L70-A74 WeakPolarHBondContact O-CB 3.3Å; L70-A74 PolarHBondContact O-N 3.05Å
71K89.2Confident88.8Confident136 Ų13665 Ų6559%0.59136%0.356SS*.Hα-helixtrans-66.8-38.6174.1-72.7178.5178.5-176.50112.2K67 S68 C69 A74 K75K67-K71 WeakPolarHBondContact O-CG 3.39Å; K67-K71 PolarHBondContact O-N 3.46Å; K67-K71 VanDerWaalsContact O-N 3.13Å; S68-K71 WeakPolarHBondContact O-CB 3.33Å; S68-K71 PolarHBondContact O-N 2.85Å; C69-K71 VanDerWaalsContact C-N 3.34Å; C69-K71 PolarHBondContact O-N 3.26Å; K71-A74 WeakPolarHBondContact O-CB 3.46Å; K71-A74 PolarHBondContact O-N 2.86Å; K71-K75 WeakPolarHBondContact O-CB 3.5Å; K71-K75 PolarHBondContact O-N 3.31Å
72T90.3Very high88.5Confident75 Ų7567.6 Ų67.646%0.4637%0.369SS..Hα-helixtrans-65.7-49.1176.7-56.40000111.3S68 C69 A74 K75 Y76S68-T72 PolarHBondContact O-N 3.29Å; S68-T72 PolarHBondContact O-OG1 2.98Å; C69-T72 PolarHBondContact O-N 3.33Å; T72-A74 PolarHBondContact O-N 2.97Å; T72-K75 PolarHBondContact O-N 2.98Å; T72-Y76 WeakPolarHBondContact O-CB 3.43Å; T72-Y76 PolarHBondContact O-N 3.45Å
73M91.7Very high88.2Confident0 Ų068.5 Ų68.50%037%0.372CS..Hα-helixtrans-53.1-45.6171.6176.2-154.875.500110.4L30 Y55 I64 C69 L70 Y76 F77 C84 I86L30-M73 HydrophobicContact CD2-CE 4.27Å; Y55-M73 HydrophobicContact CD1-CB 3.59Å; Y55-M73 HydrophobicContact CD1-CG 3.68Å; Y55-M73 HydrophobicContact CD2-CG 4.27Å; Y55-M73 HydrophobicContact CE1-CB 3.81Å; Y55-M73 HydrophobicContact CE1-CG 4.37Å; Y55-M73 HydrophobicContact CG-CB 4Å; Y55-M73 HydrophobicContact CG-CG 3.62Å; I64-M73 HydrophobicContact CD1-CG 4.37Å; I64-M73 HydrophobicContact CD1-SD 3.41Å; I64-M73 WeakPolarHBondContact CD1-SD 3.32Å; I64-M73 HydrophobicContact CG1-SD 4.4Å; C69-M73 WeakPolarHBondContact O-CB 3.45Å; C69-M73 PolarHBondContact O-N 3.31Å; L70-M73 HydrophobicContact CD1-CE 3.55Å; L70-M73 HydrophobicContact CD1-SD 4.26Å; M73-Y76 WeakPolarHBondContact O-CB 3.42Å; M73-Y76 PolarHBondContact O-N 3.31Å; M73-F77 HydrophobicContact CG-CD2 3.8Å; M73-F77 HydrophobicContact CG-CE2 3.61Å; M73-F77 VanDerWaalsContact O-CD2 3.27Å; M73-F77 WeakPolarHBondContact O-CD2 3.33Å; M73-F77 PolarHBondContact O-N 2.93Å; M73-F77 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact SD-CE2 4.29Å; M73-C84 VanDerWaalsContact CE-SG 3.54Å; M73-I86 HydrophobicContact CE-CD1 4.41Å; M73-I86 HydrophobicContact CE-CG1 4.45Å; M73-I86 HydrophobicContact SD-CD1 4.38Å; M73-I86 HydrophobicContact SD-CG1 3.91Å
74A87.2Confident88Confident9 Ų965 Ų657%0.07436%0.356CS..Hα-helixtrans-57.3-57.8-179.800000111.1F27 L70 K71 T72 Y76 F77 N78F27-A74 HydrophobicContact CD1-CB 3.55Å; F27-A74 HydrophobicContact CD2-CB 4.08Å; F27-A74 HydrophobicContact CE1-CB 3.06Å; F27-A74 WeakPolarHBondContact CE1-O 3.43Å; F27-A74 HydrophobicContact CE2-CB 3.63Å; F27-A74 HydrophobicContact CG-CB 4.13Å; F27-A74 HydrophobicContact CZ-CB 3.15Å; F27-A74 VanDerWaalsContact CZ-O 3.31Å; F27-A74 WeakPolarHBondContact CZ-O 3.37Å; L70-A74 WeakPolarHBondContact O-CB 3.3Å; L70-A74 PolarHBondContact O-N 3.05Å; K71-A74 WeakPolarHBondContact O-CB 3.46Å; K71-A74 PolarHBondContact O-N 2.86Å; T72-A74 PolarHBondContact O-N 2.97Å; A74-Y76 VanDerWaalsContact C-N 3.27Å; A74-Y76 PolarHBondContact O-N 3.5Å; A74-F77 PolarHBondContact O-N 3.05Å; A74-F77 VanDerWaalsContact O-N 3.16Å; A74-N78 PolarHBondContact O-N 3.19Å
75K88.3Confident87.9Confident135 Ų13568 Ų6859%0.58737%0.366SS*.Hα-helixtrans-51.9-46.5176.4-176.8177.6178-172.20111.7K71 T72 F77 N78 D79K71-K75 WeakPolarHBondContact O-CB 3.5Å; K71-K75 PolarHBondContact O-N 3.31Å; T72-K75 PolarHBondContact O-N 2.98Å; K75-F77 PolarHBondContact O-N 2.87Å; K75-N78 PolarHBondContact O-N 3.15Å; K75-D79 WeakPolarHBondContact CE-OD2 3.35Å; K75-D79 WeakPolarHBondContact CG-OD2 3.3Å; K75-D79 WeakPolarHBondContact O-CB 3.47Å; K75-D79 PolarHBondContact O-N 2.67Å
76Y90.8Very high88.1Confident53 Ų5363.9 Ų63.921%0.20834%0.341CS..Hα-helixtrans-54.1-48.3178176.3-91.8000113.1Y55 G57 T72 M73 A74 N80Y55-Y76 HydrophobicContact CD2-CD1 4.16Å; Y55-Y76 HydrophobicContact CE2-CD1 4.16Å; Y55-Y76 HydrophobicContact CE2-CG 4.12Å; G57-Y76 WeakPolarHBondContact CA-OH 3.47Å; T72-Y76 WeakPolarHBondContact O-CB 3.43Å; T72-Y76 PolarHBondContact O-N 3.45Å; M73-Y76 WeakPolarHBondContact O-CB 3.42Å; M73-Y76 PolarHBondContact O-N 3.31Å; A74-Y76 VanDerWaalsContact C-N 3.27Å; A74-Y76 PolarHBondContact O-N 3.5Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.16Å; Y76-N80 WeakPolarHBondContact O-CB 3.24Å; Y76-N80 PolarHBondContact O-N 3.4Å; Y76-N80 PolarHBondContact O-ND2 2.79Å
77F89.4Confident88.3Confident6 Ų661.8 Ų61.83%0.02633%0.327CS..Hα-helixtrans-71.7-35.9179.3-75.1-66.2000112.9Y55 M73 A74 K75 G81 Q82 I83 C84 R85Y55-F77 HydrophobicContact CD2-CE2 4.47Å; Y55-F77 HydrophobicContact CG-CE2 4.48Å; M73-F77 HydrophobicContact CG-CD2 3.8Å; M73-F77 HydrophobicContact CG-CE2 3.61Å; M73-F77 VanDerWaalsContact O-CD2 3.27Å; M73-F77 WeakPolarHBondContact O-CD2 3.33Å; M73-F77 PolarHBondContact O-N 2.93Å; M73-F77 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact SD-CE2 4.29Å; A74-F77 PolarHBondContact O-N 3.05Å; A74-F77 VanDerWaalsContact O-N 3.16Å; K75-F77 PolarHBondContact O-N 2.87Å; F77-G81 PolarHBondContact O-N 2.85Å; F77-Q82 HydrophobicContact CD1-CB 3.89Å; F77-Q82 PolarHBondContact O-N 3.42Å; F77-I83 WeakPolarHBondContact CD1-O 3.1Å; F77-C84 HydrophobicContact CB-CB 4.48Å; F77-C84 HydrophobicContact CD2-CB 4.18Å; F77-C84 HydrophobicContact CG-CB 4.34Å; F77-R85 HydrophobicContact CE1-CB 4.13Å; F77-R85 WeakPolarHBondContact CE2-O 3.47Å; F77-R85 HydrophobicContact CZ-CB 3.81Å; F77-R85 VanDerWaalsContact CZ-N 3.28Å; F77-R85 WeakPolarHBondContact CZ-O 3.24Å
78N85.4Confident88.4Confident112 Ų11254.8 Ų54.860%0.59930%0.296SS*.Hα-helixtrans-65.6-48.3178.3-176.778.1000111.8F27 A74 K75 N80 G81F27-N78 HydrophobicContact CE1-CB 4.18Å; A74-N78 PolarHBondContact O-N 3.19Å; K75-N78 PolarHBondContact O-N 3.15Å; N78-N80 VanDerWaalsContact C-N 3.26Å; N78-N80 PolarHBondContact O-N 3.3Å; N78-G81 PolarHBondContact O-N 2.92Å; N78-G81 VanDerWaalsContact O-N 3.1Å
79D87.4Confident88.3Confident102 Ų10251.6 Ų51.655%0.54527%0.273SS..Hα-helixtrans-67-30.8-176.8-64.4-1.6000111.4K75K75-D79 WeakPolarHBondContact CE-OD2 3.35Å; K75-D79 WeakPolarHBondContact CG-OD2 3.3Å; K75-D79 WeakPolarHBondContact O-CB 3.47Å; K75-D79 PolarHBondContact O-N 2.67Å
80N86.5Confident88Confident84 Ų8450.3 Ų50.345%0.44926%0.264SS..THydrogen-bonded Turntrans-86.60.5175.8-70.6-52.7000114.2Y76 N78 Q82Y76-N80 WeakPolarHBondContact CE2-ND2 3.16Å; Y76-N80 WeakPolarHBondContact O-CB 3.24Å; Y76-N80 PolarHBondContact O-N 3.4Å; Y76-N80 PolarHBondContact O-ND2 2.79Å; N78-N80 VanDerWaalsContact C-N 3.26Å; N78-N80 PolarHBondContact O-N 3.3Å; N80-Q82 HydrophobicContact CB-CB 4.43Å; N80-Q82 HydrophobicContact CB-CG 3.98Å; N80-Q82 WeakPolarHBondContact O-CG 3.42Å; N80-Q82 PolarHBondContact O-N 3.1Å; N80-Q82 VanDerWaalsContact O-N 3.16Å
81G83.2Confident87.3Confident74 Ų7454.5 Ų54.576%0.76328%0.283SS*.THydrogen-bonded Turntrans60.724.1-17600000113.9F77 N78F77-G81 PolarHBondContact O-N 2.85Å; N78-G81 PolarHBondContact O-N 2.92Å; N78-G81 VanDerWaalsContact O-N 3.1Å
82Q83.2Confident86.1Confident90 Ų9051 Ų5142%0.42127%0.27SS..PPolyproline II helixtrans-99.9152.2-173.8-71.7-166.822.900112.3F77 N80 C84F77-Q82 HydrophobicContact CD1-CB 3.89Å; F77-Q82 PolarHBondContact O-N 3.42Å; N80-Q82 HydrophobicContact CB-CB 4.43Å; N80-Q82 HydrophobicContact CB-CG 3.98Å; N80-Q82 WeakPolarHBondContact O-CG 3.42Å; N80-Q82 PolarHBondContact O-N 3.1Å; N80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-C84 PolarHBondContact O-N 3.02Å
83I83.9Confident84.6Confident58 Ų5854.1 Ų54.130%0.29728%0.28SS..PPolyproline II helixtrans-64.7130.6169.7-62163.9000108.7L2 K4 F77 R85L2-I83 HydrophobicContact CB-CG2 4.24Å; L2-I83 HydrophobicContact CD2-CD1 3.92Å; L2-I83 HydrophobicContact CD2-CG1 4.35Å; L2-I83 HydrophobicContact CD2-CG2 4.14Å; L2-I83 HydrophobicContact CG-CG2 4.02Å; K4-I83 HydrophobicContact CB-CG2 4.42Å; K4-I83 HydrophobicContact CD-CG2 3.83Å; K4-I83 HydrophobicContact CG-CG2 3.83Å; F77-I83 WeakPolarHBondContact CD1-O 3.1Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 PolarHBondContact O-NH1 3.22Å; I83-R85 VanDerWaalsContact O-NH1 3.13Å
84C87.4Confident82.9Confident5 Ų559.7 Ų59.73%0.03432%0.319CS..EExtended strand (participates in β ladder)trans-58.8119.7175.6-179.40000110.4I3 K4 M73 F77 Q82I3-C84 HydrophobicContact CG1-CB 4.34Å; K4-C84 PolarHBondContact N-O 3.34Å; M73-C84 VanDerWaalsContact CE-SG 3.54Å; F77-C84 HydrophobicContact CB-CB 4.48Å; F77-C84 HydrophobicContact CD2-CB 4.18Å; F77-C84 HydrophobicContact CG-CB 4.34Å; Q82-C84 PolarHBondContact O-N 3.02Å
85R89.7Confident81.3Confident72 Ų7264 Ų6427%0.27234%0.341SS..EExtended strand (participates in β ladder)trans-115.7120.6179-69.2173.2-17392.2-16.2109.4K4 I6 F77 I83K4-R85 HydrophobicContact CB-CG 4.11Å; K4-R85 HydrophobicContact CD-CG 4.43Å; K4-R85 CarbonylContact O-C 3.55Å; K4-R85 WeakPolarHBondContact O-CA 3.46Å; I6-R85 HydrophobicContact CD1-CB 3.89Å; I6-R85 HydrophobicContact CD1-CG 3.99Å; F77-R85 HydrophobicContact CE1-CB 4.13Å; F77-R85 WeakPolarHBondContact CE2-O 3.47Å; F77-R85 HydrophobicContact CZ-CB 3.81Å; F77-R85 VanDerWaalsContact CZ-N 3.28Å; F77-R85 WeakPolarHBondContact CZ-O 3.24Å; I83-R85 PolarHBondContact O-N 3.09Å; I83-R85 PolarHBondContact O-NH1 3.22Å; I83-R85 VanDerWaalsContact O-NH1 3.13Å
86I92.3Very high80Confident0 Ų063.1 Ų63.10%035%0.351CS..EExtended strand (participates in β ladder)trans-115.3111.5177.3-56.6176.3000107.1I3 K4 F5 I6 I35 L53 Y54 I64 M73I3-I86 HydrophobicContact CG2-CD1 3.91Å; I3-I86 HydrophobicContact CG2-CG1 4.3Å; K4-I86 PolarHBondContact O-N 2.88Å; F5-I86 CarbonylContact C-O 3.59Å; F5-I86 WeakPolarHBondContact CA-O 3.18Å; F5-I86 HydrophobicContact CD1-CB 3.94Å; F5-I86 HydrophobicContact CD1-CG2 4.18Å; F5-I86 HydrophobicContact CE1-CB 4.03Å; F5-I86 HydrophobicContact CE1-CD1 3.88Å; F5-I86 HydrophobicContact CE1-CG2 4.14Å; F5-I86 HydrophobicContact CZ-CD1 4.41Å; I6-I86 PolarHBondContact N-O 3.4Å; I35-I86 HydrophobicContact CD1-CD1 3.9Å; I35-I86 HydrophobicContact CG1-CD1 4.23Å; L53-I86 HydrophobicContact CB-CG2 4.25Å; L53-I86 HydrophobicContact CD2-CG2 4.17Å; Y54-I86 CarbonylContact O-C 3.56Å; I64-I86 HydrophobicContact CD1-CG2 4.32Å; M73-I86 HydrophobicContact CE-CD1 4.41Å; M73-I86 HydrophobicContact CE-CG1 4.45Å; M73-I86 HydrophobicContact SD-CD1 4.38Å; M73-I86 HydrophobicContact SD-CG1 3.91Å
87Y91.4Very high79Confident21 Ų2167.3 Ų67.38%0.08237%0.371CS..EExtended strand (participates in β ladder)trans-78.8121.4171.8-66.7-94.5000108.5I6 L53 Y54 F61 L115I6-Y87 HydrophobicContact CB-CD1 3.7Å; I6-Y87 HydrophobicContact CB-CE1 3.99Å; I6-Y87 HydrophobicContact CB-CG 4.23Å; I6-Y87 HydrophobicContact CD1-CD1 4.17Å; I6-Y87 HydrophobicContact CD1-CD2 4.47Å; I6-Y87 HydrophobicContact CD1-CE1 3.72Å; I6-Y87 HydrophobicContact CD1-CE2 4Å; I6-Y87 HydrophobicContact CG1-CE1 4.46Å; I6-Y87 HydrophobicContact CG2-CD1 3.64Å; I6-Y87 HydrophobicContact CG2-CE1 3.66Å; I6-Y87 CarbonylContact O-C 3.59Å; I6-Y87 VanDerWaalsContact O-CA 3.3Å; I6-Y87 WeakPolarHBondContact O-CA 3.12Å; L53-Y87 CarbonylContact C-O 3.06Å; L53-Y87 WeakPolarHBondContact CA-O 3.23Å; Y54-Y87 PolarHBondContact N-O 3.03Å; Y54-Y87 PolarHBondContact O-N 3.23Å; F61-Y87 HydrophobicContact CD1-CD2 4.42Å; F61-Y87 AromaticContact CE1-CD1 3.95Å; F61-Y87 HydrophobicContact CE1-CD1 3.95Å; F61-Y87 AromaticContact CE1-CD2 3.85Å; F61-Y87 HydrophobicContact CE1-CD2 3.85Å; F61-Y87 HydrophobicContact CE1-CE1 4.07Å; F61-Y87 HydrophobicContact CE1-CE2 4.03Å; F61-Y87 AromaticContact CE1-CG 3.8Å; F61-Y87 HydrophobicContact CE1-CG 3.8Å; F61-Y87 HydrophobicContact CZ-CE1 4.4Å; Y87-L115 HydrophobicContact CD1-CB 4.06Å; Y87-L115 HydrophobicContact CD1-CD1 3.47Å; Y87-L115 VanDerWaalsContact CD1-CD1 3.47Å; Y87-L115 HydrophobicContact CD1-CD2 4.07Å; Y87-L115 HydrophobicContact CD1-CG 4.07Å; Y87-L115 HydrophobicContact CE1-CB 3.98Å; Y87-L115 HydrophobicContact CE1-CD1 4.25Å; Y87-L115 HydrophobicContact CE1-CD2 4.44Å; Y87-L115 HydrophobicContact CE1-CG 4.46Å; Y87-L115 HydrophobicContact CG-CD1 4.17Å
88T90.8Very high78Confident0 Ų070.3 Ų70.30%039%0.391CS..EExtended strand (participates in β ladder)trans-115.7114.5-172.2-59.80000109.5I6 F7 P8 I39 F51 L53I6-T88 PolarHBondContact O-N 3Å; F7-T88 HydrophobicContact CD1-CG2 3.88Å; F7-T88 HydrophobicContact CE1-CG2 3.43Å; F7-T88 VanDerWaalsContact CE1-CG2 3.43Å; F7-T88 HydrophobicContact CZ-CG2 4.34Å; P8-T88 WeakPolarHBondContact CD-O 3.2Å; I39-T88 HydrophobicContact CD1-CG2 3.57Å; I39-T88 HydrophobicContact CG1-CG2 3.92Å; I39-T88 HydrophobicContact CG2-CG2 3.9Å; F51-T88 HydrophobicContact CB-CG2 4.1Å; F51-T88 HydrophobicContact CD1-CG2 3.48Å; F51-T88 VanDerWaalsContact CD1-CG2 3.48Å; F51-T88 HydrophobicContact CE1-CG2 4.14Å; F51-T88 HydrophobicContact CG-CG2 3.96Å; L53-T88 HydrophobicContact CD2-CG2 3.91Å
89I86.9Confident77.3Confident12 Ų1265.4 Ų65.46%0.06237%0.365CS..EExtended strand (participates in β ladder)trans-118.9114.8-171.8-63.5176.4000109.1F51 S52 Y54 L111 P112 L115F51-I89 CarbonylContact C-O 3.57Å; F51-I89 WeakPolarHBondContact CA-O 3.46Å; S52-I89 PolarHBondContact N-O 2.8Å; S52-I89 PolarHBondContact O-N 2.81Å; Y54-I89 HydrophobicContact CD2-CD1 3.63Å; Y54-I89 HydrophobicContact CD2-CG1 4.28Å; Y54-I89 HydrophobicContact CE2-CB 4.36Å; Y54-I89 HydrophobicContact CE2-CD1 3.57Å; Y54-I89 HydrophobicContact CE2-CG1 4.32Å; I89-L111 HydrophobicContact CD1-CB 4.3Å; I89-L111 HydrophobicContact CG2-CB 3.96Å; I89-L111 HydrophobicContact CG2-CD1 3.6Å; I89-L111 HydrophobicContact CG2-CG 4.33Å; I89-P112 HydrophobicContact CD1-CB 3.41Å; I89-P112 VanDerWaalsContact CD1-CB 3.41Å; I89-L115 HydrophobicContact CD1-CD1 4.1Å; I89-L115 HydrophobicContact CG1-CD1 4.37Å
90P83.1Confident76.5Confident6 Ų663.8 Ų63.84%0.03936%0.356CS..EExtended strand (participates in β ladder)trans-66.5139173.731.7-38.5000110.2T49 L50 F51 L99 F103T49-P90 HydrophobicContact CG2-CB 4.42Å; L50-P90 WeakPolarHBondContact O-CA 3.34Å; F51-P90 HydrophobicContact CD1-CB 3.99Å; F51-P90 HydrophobicContact CE1-CB 3.83Å; P90-L99 HydrophobicContact CB-CD2 4.21Å; P90-L99 HydrophobicContact CG-CD1 3.54Å; P90-L99 HydrophobicContact CG-CD2 3.48Å; P90-L99 VanDerWaalsContact CG-CD2 3.48Å; P90-L99 HydrophobicContact CG-CG 4.18Å; P90-F103 HydrophobicContact CB-CE2 4.27Å; P90-F103 HydrophobicContact CB-CZ 3.98Å; P90-F103 HydrophobicContact CG-CD1 4.15Å; P90-F103 HydrophobicContact CG-CD2 4.23Å; P90-F103 HydrophobicContact CG-CE1 3.65Å; P90-F103 HydrophobicContact CG-CE2 3.72Å; P90-F103 HydrophobicContact CG-CG 4.44Å; P90-F103 HydrophobicContact CG-CZ 3.42Å; P90-F103 VanDerWaalsContact CG-CZ 3.42Å
91H76Confident75.3Confident95 Ų9561 Ų6144%0.4434%0.343SS..PPolyproline II helixtrans-74138.9166.8-75.5-101.1000109.7L50 S52L50-H91 HydrophobicContact CB-CB 4.1Å; L50-H91 PolarHBondContact O-N 3.42Å; S52-H91 PolarHBondContact N-CD2 2.9Å; S52-H91 PolarHBondContact N-NE2 2.9Å; S52-H91 PolarHBondContact OG-CE1 2.94Å; S52-H91 VanDerWaalsContact OG-CE1 3.31Å; S52-H91 PolarHBondContact OG-NE2 3Å
92L63.5Low74.6Confident61 Ų6158 Ų5832%0.31931%0.309SS..PPolyproline II helixtrans-72.9142163.3-69.7-175.3000109.8K97 L99 A108L92-K97 WeakPolarHBondContact CD1-O 3.45Å; L92-K97 VanDerWaalsContact CD2-O 3.24Å; L92-K97 WeakPolarHBondContact CD2-O 3.46Å; L92-L99 HydrophobicContact CD2-CD2 3.55Å; L92-L99 HydrophobicContact CD2-CG 4.34Å; L92-L99 HydrophobicContact CG-CD2 4.46Å; L92-A108 HydrophobicContact CB-CB 4.48Å; L92-A108 HydrophobicContact CD1-CB 3.07Å; L92-A108 HydrophobicContact CD2-CB 4.17Å; L92-A108 HydrophobicContact CG-CB 3.31Å
93H57.9Low74.1Confident141 Ų14153.8 Ų53.865%0.65329%0.289SS*.PPolyproline II helixtrans-66.4148.8151.1-65.6-70.4000108.3D95H93-D95 CarbonylContact O-C 3.47Å; H93-D95 PolarHBondContact O-N 3.17Å; H93-D95 VanDerWaalsContact O-O 3.12Å
94S55.8Low73.4Confident118 Ų11851.4 Ų51.483%0.82528%0.277SS*.SBendtrans-35.1-27.2-170.249.50000118.2S96S94-S96 PolarHBondContact O-N 3.15Å
95D54.6Low72.6Confident100 Ų10055 Ų5554%0.53529%0.293SS..SBendtrans-81.7110.8-179.3-49.1-10.4000107.6H93 K97H93-D95 CarbonylContact O-C 3.47Å; H93-D95 PolarHBondContact O-N 3.17Å; H93-D95 VanDerWaalsContact O-O 3.12Å; D95-K97 PolarHBondContact O-N 3.26Å
96S61.3Low71.8Confident116 Ų11651.6 Ų51.681%0.81128%0.28SS*.  trans-5741.8-178.251.40000115.9S94S94-S96 PolarHBondContact O-N 3.15Å
97K69.2Low70.9Confident141 Ų14157 Ų5761%0.61330%0.303SS*.PPolyproline II helixtrans-81.3146177.3-67179.3-177166.40109.2L92 D95L92-K97 WeakPolarHBondContact CD1-O 3.45Å; L92-K97 VanDerWaalsContact CD2-O 3.24Å; L92-K97 WeakPolarHBondContact CD2-O 3.46Å; D95-K97 PolarHBondContact O-N 3.26Å
98P67.9Low70Confident69 Ų6957.2 Ų57.245%0.44831%0.31SS..PPolyproline II helixtrans-52.1150.8168.6-25.534.1000112F105P98-F105 HydrophobicContact CB-CB 3.69Å; P98-F105 HydrophobicContact CB-CD1 4.37Å; P98-F105 WeakPolarHBondContact CB-O 3.36Å
99L71.9Confident69.3Low9 Ų963.7 Ų63.75%0.04734%0.344CS..PPolyproline II helixtrans-58.7164.1174.3-69.7178.6000111.6P8 P90 L92 F103 F105 C106 L111P8-L99 HydrophobicContact CG-CD1 4.35Å; P90-L99 HydrophobicContact CB-CD2 4.21Å; P90-L99 HydrophobicContact CG-CD1 3.54Å; P90-L99 HydrophobicContact CG-CD2 3.48Å; P90-L99 VanDerWaalsContact CG-CD2 3.48Å; P90-L99 HydrophobicContact CG-CG 4.18Å; L92-L99 HydrophobicContact CD2-CD2 3.55Å; L92-L99 HydrophobicContact CD2-CG 4.34Å; L92-L99 HydrophobicContact CG-CD2 4.46Å; L99-F103 HydrophobicContact CB-CB 3.57Å; L99-F103 HydrophobicContact CB-CD2 3.75Å; L99-F103 HydrophobicContact CB-CG 3.88Å; L99-F103 HydrophobicContact CD1-CB 3.69Å; L99-F103 HydrophobicContact CD1-CD1 4Å; L99-F103 HydrophobicContact CD1-CD2 4.01Å; L99-F103 HydrophobicContact CD1-CG 3.62Å; L99-F103 HydrophobicContact CD2-CD2 4.5Å; L99-F103 HydrophobicContact CG-CB 4.28Å; L99-F103 HydrophobicContact CG-CD2 4.32Å; L99-F103 HydrophobicContact CG-CG 4.33Å; L99-F105 WeakPolarHBondContact O-CA 3.5Å; L99-F105 WeakPolarHBondContact O-CD1 2.97Å; L99-F105 PolarHBondContact O-N 3.29Å; L99-C106 HydrophobicContact CD1-CB 4.2Å; L99-C106 PolarHBondContact N-O 3.36Å; L99-L111 HydrophobicContact CD1-CD1 3.79Å
100N69.6Low68.8Low67 Ų6766.1 Ų66.136%0.35836%0.355SS..  trans-68.4178.2-179.967.850.9000112.6L45 F102 F103 N104 F105L45-N100 WeakPolarHBondContact CD2-ND2 3.45Å; N100-F102 PolarHBondContact O-N 3.39Å; N100-F102 VanDerWaalsContact O-N 3.08Å; N100-F102 WeakPolarHBondContact OD1-CB 3.08Å; N100-F102 PolarHBondContact OD1-N 2.95Å; N100-F103 PolarHBondContact O-N 3.11Å; N100-N104 PolarHBondContact O-N 3.47Å; N100-F105 PolarHBondContact O-N 3.44Å
101S62.5Low68.5Low27 Ų2767 Ų6719%0.18936%0.36CS..G310 helixtrans-57.8-25.7-176.7640000114.3R11 F103 N104R11-S101 PolarHBondContact NE-O 3Å; R11-S101 PolarHBondContact NH1-O 2.95Å; R11-S101 PolarHBondContact NH2-O 3.25Å; S101-F103 VanDerWaalsContact C-N 3.27Å; S101-F103 PolarHBondContact O-N 3.36Å; S101-N104 PolarHBondContact O-N 3.05Å
102F67.3Low68.7Low11 Ų1163.6 Ų63.65%0.04835%0.345CS..G310 helixtrans-57-44.6174.8179.9-87.8000111.1F7 I42 T43 N100 N104 S154F7-F102 HydrophobicContact CB-CE1 3.9Å; F7-F102 HydrophobicContact CD1-CE1 4.05Å; F7-F102 HydrophobicContact CD2-CE1 4.21Å; F7-F102 HydrophobicContact CD2-CZ 4.2Å; F7-F102 AromaticContact CG-CE1 3.8Å; F7-F102 HydrophobicContact CG-CE1 3.8Å; F7-F102 HydrophobicContact CG-CZ 4.24Å; I42-F102 HydrophobicContact CG2-CZ 4.32Å; T43-F102 HydrophobicContact CG2-CE1 3.94Å; T43-F102 HydrophobicContact CG2-CE2 4.35Å; T43-F102 HydrophobicContact CG2-CZ 3.84Å; N100-F102 PolarHBondContact O-N 3.39Å; N100-F102 VanDerWaalsContact O-N 3.08Å; N100-F102 WeakPolarHBondContact OD1-CB 3.08Å; N100-F102 PolarHBondContact OD1-N 2.95Å; F102-N104 VanDerWaalsContact C-N 3.25Å; F102-N104 PolarHBondContact O-N 3.42Å; F102-S154 WeakPolarHBondContact CD2-OG 2.98Å
103F73.2Confident69.4Low1 Ų164.6 Ų64.60%0.00435%0.351CS..G310 helixtrans-89.17.9177.7-49.5-84000112.1F7 P8 L45 F51 P90 L99 N100 S101 F105 C106F7-F103 HydrophobicContact CB-CD1 4.4Å; F7-F103 HydrophobicContact CB-CE1 4.17Å; F7-F103 HydrophobicContact CD1-CE1 4.08Å; P8-F103 HydrophobicContact CG-CD1 3.93Å; P8-F103 WeakPolarHBondContact O-CA 3.38Å; P8-F103 WeakPolarHBondContact O-CB 3.48Å; P8-F103 VanDerWaalsContact O-CD1 3.27Å; P8-F103 WeakPolarHBondContact O-CD1 3.39Å; L45-F103 HydrophobicContact CD1-CE2 3.8Å; L45-F103 HydrophobicContact CD1-CZ 3.77Å; F51-F103 HydrophobicContact CE1-CZ 4.46Å; P90-F103 HydrophobicContact CB-CE2 4.27Å; P90-F103 HydrophobicContact CB-CZ 3.98Å; P90-F103 HydrophobicContact CG-CD1 4.15Å; P90-F103 HydrophobicContact CG-CD2 4.23Å; P90-F103 HydrophobicContact CG-CE1 3.65Å; P90-F103 HydrophobicContact CG-CE2 3.72Å; P90-F103 HydrophobicContact CG-CG 4.44Å; P90-F103 HydrophobicContact CG-CZ 3.42Å; P90-F103 VanDerWaalsContact CG-CZ 3.42Å; L99-F103 HydrophobicContact CB-CB 3.57Å; L99-F103 HydrophobicContact CB-CD2 3.75Å; L99-F103 HydrophobicContact CB-CG 3.88Å; L99-F103 HydrophobicContact CD1-CB 3.69Å; L99-F103 HydrophobicContact CD1-CD1 4Å; L99-F103 HydrophobicContact CD1-CD2 4.01Å; L99-F103 HydrophobicContact CD1-CG 3.62Å; L99-F103 HydrophobicContact CD2-CD2 4.5Å; L99-F103 HydrophobicContact CG-CB 4.28Å; L99-F103 HydrophobicContact CG-CD2 4.32Å; L99-F103 HydrophobicContact CG-CG 4.33Å; N100-F103 PolarHBondContact O-N 3.11Å; S101-F103 VanDerWaalsContact C-N 3.27Å; S101-F103 PolarHBondContact O-N 3.36Å; F103-F105 PolarHBondContact O-N 2.77Å; F103-F105 VanDerWaalsContact O-N 3.15Å; F103-C106 PolarHBondContact O-N 3.46Å; F103-C106 VanDerWaalsContact O-N 3.16Å; F103-C106 PolarHBondContact O-SG 3.31Å
104N69.6Low70.3Confident8 Ų858.2 Ų58.24%0.04332%0.322CS..THydrogen-bonded Turntrans4842.5-176.2-16277.3000113.6L10 R11 N100 S101 F102 C106 L126L10-N104 HydrophobicContact CB-CB 4.08Å; L10-N104 WeakPolarHBondContact CB-ND2 3.3Å; R11-N104 HydrophobicContact CG-CB 3.41Å; R11-N104 VanDerWaalsContact CG-CB 3.41Å; N100-N104 PolarHBondContact O-N 3.47Å; S101-N104 PolarHBondContact O-N 3.05Å; F102-N104 VanDerWaalsContact C-N 3.25Å; F102-N104 PolarHBondContact O-N 3.42Å; N104-C106 PolarHBondContact O-N 3.42Å; N104-L126 WeakPolarHBondContact ND2-CD2 3.27Å
105F69.6Low71.2Confident81 Ų8152.7 Ų52.736%0.35528%0.283SS..THydrogen-bonded Turntrans58.735.2174.5-47-86.3000113P98 L99 N100 F103 K107 T129P98-F105 HydrophobicContact CB-CB 3.69Å; P98-F105 HydrophobicContact CB-CD1 4.37Å; P98-F105 WeakPolarHBondContact CB-O 3.36Å; L99-F105 WeakPolarHBondContact O-CA 3.5Å; L99-F105 WeakPolarHBondContact O-CD1 2.97Å; L99-F105 PolarHBondContact O-N 3.29Å; N100-F105 PolarHBondContact O-N 3.44Å; F103-F105 PolarHBondContact O-N 2.77Å; F103-F105 VanDerWaalsContact O-N 3.15Å; F105-K107 PolarHBondContact O-N 3.14Å; F105-T129 HydrophobicContact CD2-CG2 3.25Å; F105-T129 HydrophobicContact CE2-CG2 3.38Å; F105-T129 HydrophobicContact CG-CG2 4.13Å; F105-T129 HydrophobicContact CZ-CG2 4.35Å
106C73.2Confident72.2Confident0 Ų051.9 Ų51.90%028%0.278CS..  trans-50.1139.8161.2-66.80000109.2L99 F103 N104 I114L99-C106 HydrophobicContact CD1-CB 4.2Å; L99-C106 PolarHBondContact N-O 3.36Å; F103-C106 PolarHBondContact O-N 3.46Å; F103-C106 VanDerWaalsContact O-N 3.16Å; F103-C106 PolarHBondContact O-SG 3.31Å; N104-C106 PolarHBondContact O-N 3.42Å; C106-I114 HydrophobicContact CB-CD1 4.47Å
107K74Confident72.5Confident112 Ų11251.1 Ų51.149%0.48726%0.262SS..  trans-79.8147.4169.1-50.3178.9-179.8168.50109.1F105 D109 E110F105-K107 PolarHBondContact O-N 3.14Å; K107-D109 WeakPolarHBondContact CB-OD1 3.33Å; K107-E110 HydrophobicContact CB-CG 4.2Å
108A72.6Confident72.1Confident27 Ų2749.4 Ų49.422%0.22327%0.265CS..SBendtrans-82.7-24.1-174.200000114.2L92 E110 L111L92-A108 HydrophobicContact CB-CB 4.48Å; L92-A108 HydrophobicContact CD1-CB 3.07Å; L92-A108 HydrophobicContact CD2-CB 4.17Å; L92-A108 HydrophobicContact CG-CB 3.31Å; A108-E110 PolarHBondContact O-N 3.46Å; A108-L111 HydrophobicContact CB-CD1 4.29Å; A108-L111 WeakPolarHBondContact O-CB 3.08Å; A108-L111 PolarHBondContact O-N 3.5Å; A108-L111 VanDerWaalsContact O-N 3.12Å
109D75.6Confident71.7Confident135 Ų13548.9 Ų48.972%0.72226%0.261SS*.THydrogen-bonded Turntrans-63.7-18.2171.657.6-38000112.5K107K107-D109 WeakPolarHBondContact CB-OD1 3.33Å
110E75.9Confident70.9Confident63 Ų6354.5 Ų54.529%0.29430%0.296SS..THydrogen-bonded Turntrans-86-7.3175.6-60.9171.8161.500112.9K107 A108 N113 I114K107-E110 HydrophobicContact CB-CG 4.2Å; A108-E110 PolarHBondContact O-N 3.46Å; E110-N113 PolarHBondContact O-N 3.26Å; E110-I114 HydrophobicContact CB-CB 4.18Å; E110-I114 HydrophobicContact CB-CD1 4.25Å; E110-I114 PolarHBondContact O-N 3.37Å; E110-I114 WeakPolarHBondContact OE2-CD1 3.25Å
111L77.1Confident70.1Confident26 Ų2654.1 Ų54.114%0.13629%0.293CS..THydrogen-bonded Turntrans-91.2142.4-175.2-53.6177.7000111.6P8 I89 L99 A108 I114P8-L111 HydrophobicContact CB-CD2 3.46Å; P8-L111 VanDerWaalsContact CB-CD2 3.46Å; P8-L111 HydrophobicContact CG-CD1 4.27Å; P8-L111 HydrophobicContact CG-CD2 3.68Å; I89-L111 HydrophobicContact CD1-CB 4.3Å; I89-L111 HydrophobicContact CG2-CB 3.96Å; I89-L111 HydrophobicContact CG2-CD1 3.6Å; I89-L111 HydrophobicContact CG2-CG 4.33Å; L99-L111 HydrophobicContact CD1-CD1 3.79Å; A108-L111 HydrophobicContact CB-CD1 4.29Å; A108-L111 WeakPolarHBondContact O-CB 3.08Å; A108-L111 PolarHBondContact O-N 3.5Å; A108-L111 VanDerWaalsContact O-N 3.12Å; L111-I114 HydrophobicContact CD2-CB 4.49Å; L111-I114 HydrophobicContact CD2-CG2 3.43Å; L111-I114 VanDerWaalsContact CD2-CG2 3.43Å
112P80.4Confident69.6Low22 Ų2259.8 Ų59.814%0.14332%0.317CS..THydrogen-bonded Turncis-81.2-4.1-3.934.2-37.2000114.3F61 I89 I114 L115F61-P112 HydrophobicContact CB-CG 4.14Å; F61-P112 HydrophobicContact CD1-CB 4.26Å; F61-P112 HydrophobicContact CD2-CB 3.91Å; F61-P112 HydrophobicContact CD2-CG 3.62Å; F61-P112 HydrophobicContact CE1-CB 4.33Å; F61-P112 HydrophobicContact CE2-CB 3.99Å; F61-P112 HydrophobicContact CE2-CG 4.12Å; F61-P112 HydrophobicContact CG-CB 4.04Å; F61-P112 HydrophobicContact CG-CG 3.85Å; F61-P112 HydrophobicContact CZ-CB 4.19Å; I89-P112 HydrophobicContact CD1-CB 3.41Å; I89-P112 VanDerWaalsContact CD1-CB 3.41Å; P112-I114 PolarHBondContact O-N 3.16Å; P112-I114 VanDerWaalsContact O-N 3.15Å; P112-L115 HydrophobicContact CB-CD1 4.08Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 WeakPolarHBondContact O-CD1 3.3Å; P112-L115 WeakPolarHBondContact O-CG 3.34Å; P112-L115 PolarHBondContact O-N 2.74Å
113N78.8Confident68.9Low82 Ų8265.2 Ų65.244%0.43934%0.342SS..G310 helixtrans-61.7-29.4-165.9-66.7-25.2000113.9E110 L115 I116 Q117E110-N113 PolarHBondContact O-N 3.26Å; N113-L115 PolarHBondContact O-N 3.12Å; N113-I116 WeakPolarHBondContact O-CG1 3.24Å; N113-I116 PolarHBondContact O-N 3.34Å; N113-Q117 WeakPolarHBondContact O-CG 3.14Å; N113-Q117 PolarHBondContact O-N 3.28Å; N113-Q117 VanDerWaalsContact O-N 3.14Å
114I75.8Confident67.8Low8 Ų872.6 Ų72.64%0.04137%0.374CS..G310 helixtrans-55.3-25.2174.7-152.4174.6000112.7P8 L10 N15 C106 E110 L111 P112 I116P8-I114 HydrophobicContact CB-CG2 3.9Å; L10-I114 HydrophobicContact CD2-CD1 3.66Å; L10-I114 HydrophobicContact CG-CD1 4.37Å; N15-I114 HydrophobicContact CB-CG1 4.15Å; N15-I114 VanDerWaalsContact CB-O 3.24Å; N15-I114 WeakPolarHBondContact CB-O 2.98Å; N15-I114 PolarHBondContact ND2-O 3.02Å; C106-I114 HydrophobicContact CB-CD1 4.47Å; E110-I114 HydrophobicContact CB-CB 4.18Å; E110-I114 HydrophobicContact CB-CD1 4.25Å; E110-I114 PolarHBondContact O-N 3.37Å; E110-I114 WeakPolarHBondContact OE2-CD1 3.25Å; L111-I114 HydrophobicContact CD2-CB 4.49Å; L111-I114 HydrophobicContact CD2-CG2 3.43Å; L111-I114 VanDerWaalsContact CD2-CG2 3.43Å; P112-I114 PolarHBondContact O-N 3.16Å; P112-I114 VanDerWaalsContact O-N 3.15Å; I114-I116 VanDerWaalsContact C-N 3.3Å; I114-I116 PolarHBondContact O-N 3Å
115L76.1Confident66.8Low1 Ų176.2 Ų76.21%0.00540%0.397CS..G310 helixtrans-73.4-20.5-178.8-65160.8000113I6 P8 Q16 F61 Y87 I89 P112 N113I6-L115 HydrophobicContact CG2-CD2 4.13Å; P8-L115 HydrophobicContact CB-CD2 4.04Å; P8-L115 HydrophobicContact CB-CG 4.49Å; Q16-L115 HydrophobicContact CG-CD2 3.98Å; Q16-L115 PolarHBondContact NE2-O 2.88Å; F61-L115 HydrophobicContact CE1-CD1 4.45Å; F61-L115 HydrophobicContact CZ-CB 4.02Å; F61-L115 HydrophobicContact CZ-CD1 4.38Å; Y87-L115 HydrophobicContact CD1-CB 4.06Å; Y87-L115 HydrophobicContact CD1-CD1 3.47Å; Y87-L115 VanDerWaalsContact CD1-CD1 3.47Å; Y87-L115 HydrophobicContact CD1-CD2 4.07Å; Y87-L115 HydrophobicContact CD1-CG 4.07Å; Y87-L115 HydrophobicContact CE1-CB 3.98Å; Y87-L115 HydrophobicContact CE1-CD1 4.25Å; Y87-L115 HydrophobicContact CE1-CD2 4.44Å; Y87-L115 HydrophobicContact CE1-CG 4.46Å; Y87-L115 HydrophobicContact CG-CD1 4.17Å; I89-L115 HydrophobicContact CD1-CD1 4.1Å; I89-L115 HydrophobicContact CG1-CD1 4.37Å; P112-L115 HydrophobicContact CB-CD1 4.08Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 WeakPolarHBondContact O-CD1 3.3Å; P112-L115 WeakPolarHBondContact O-CG 3.34Å; P112-L115 PolarHBondContact O-N 2.74Å; N113-L115 PolarHBondContact O-N 3.12Å
116I74.4Confident66Low83 Ų8373.4 Ų73.443%0.42639%0.385SS..THydrogen-bonded Turntrans-108.8-17.8176.256.4169.5000112.6Y56 F61 N113 I114Y56-I116 HydrophobicContact CD2-CG2 4.41Å; Y56-I116 HydrophobicContact CE2-CG2 4.11Å; F61-I116 HydrophobicContact CE2-CD1 4.29Å; F61-I116 HydrophobicContact CE2-CG1 4.26Å; F61-I116 HydrophobicContact CE2-CG2 3.83Å; F61-I116 HydrophobicContact CZ-CG2 3.75Å; N113-I116 WeakPolarHBondContact O-CG1 3.24Å; N113-I116 PolarHBondContact O-N 3.34Å; I114-I116 VanDerWaalsContact C-N 3.3Å; I114-I116 PolarHBondContact O-N 3Å
117Q68Low65Low101 Ų10175.4 Ų75.447%0.47240%0.396SS..SBendtrans-82134.9178.8-69.7-179.2-600110.5N15 N113N15-Q117 PolarHBondContact ND2-O 3.35Å; N113-Q117 WeakPolarHBondContact O-CG 3.14Å; N113-Q117 PolarHBondContact O-N 3.28Å; N113-Q117 VanDerWaalsContact O-N 3.14Å
118P61.3Low64Low104 Ų10474.4 Ų74.468%0.67540%0.396SS*.PPolyproline II helixtrans-60.2150.3168.226.3-31.9000109.7T120P118-T120 PolarHBondContact O-N 3.41Å; P118-T120 VanDerWaalsContact O-N 3.1Å
119P58.4Low63.2Low58 Ų5874.5 Ų74.538%0.37739%0.394SS..PPolyproline II helixtrans-57.8118.8-179.623.1-33.2000110.8N13 N15 I121N13-P119 WeakPolarHBondContact O-CD 3.38Å; N13-P119 VanDerWaalsContact O-CG 3.25Å; N13-P119 WeakPolarHBondContact O-CG 3.16Å; N15-P119 WeakPolarHBondContact ND2-CA 3.45Å; P119-I121 VanDerWaalsContact C-N 3.31Å
120T55.6Low62.3Low128 Ų12868.9 Ų68.979%0.78536%0.363SS*.  trans-82.8-11.3167.916.50000112.4P118 E122P118-T120 PolarHBondContact O-N 3.41Å; P118-T120 VanDerWaalsContact O-N 3.1Å; T120-E122 PolarHBondContact O-N 3.05Å
121I53.3Low61.4Low58 Ų5868.2 Ų68.230%0.29736%0.361SS..SBendtrans-77.5124.5-170.9-57.3-170.6000110.8L10 P119 H123 T125L10-I121 HydrophobicContact CB-CD1 4.39Å; L10-I121 HydrophobicContact CD1-CD1 3.2Å; L10-I121 HydrophobicContact CD2-CD1 3.31Å; L10-I121 HydrophobicContact CD2-CG1 4.18Å; L10-I121 HydrophobicContact CG-CD1 3.72Å; P119-I121 VanDerWaalsContact C-N 3.31Å; I121-H123 PolarHBondContact O-N 3.46Å; I121-T125 WeakPolarHBondContact CG2-OG1 3.48Å
122E52.1Low61Low146 Ų14672 Ų7268%0.68238%0.378SS*.  trans-57123.7166.6-68.7-172.6174.200109.7T120 K124 T125T120-E122 PolarHBondContact O-N 3.05Å; E122-K124 PolarHBondContact O-N 2.87Å; E122-T125 PolarHBondContact O-N 2.61Å; E122-T125 PolarHBondContact O-OG1 3.13Å; E122-T125 VanDerWaalsContact O-OG1 3.14Å
123H51.9Low60.7Low126 Ų12671.4 Ų71.458%0.58337%0.374SS*.Hα-helixtrans-45.8-18.6180-82.3-73.6000115.8I121 N127I121-H123 PolarHBondContact O-N 3.46Å; H123-N127 VanDerWaalsContact O-CG 3.3Å; H123-N127 PolarHBondContact O-N 3.44Å; H123-N127 PolarHBondContact O-ND2 3.22Å; H123-N127 PolarHBondContact O-OD1 3.06Å
124K49.5Very low60.8Low155 Ų15570.1 Ų70.167%0.67437%0.37SS*.Hα-helixtrans-57.6-49.5176.2-83.2-178.4175.5174.10113.5E122 L126 N127E122-K124 PolarHBondContact O-N 2.87Å; K124-L126 VanDerWaalsContact C-N 3.3Å; K124-L126 PolarHBondContact O-N 3.4Å; K124-N127 WeakPolarHBondContact O-CB 3.01Å; K124-N127 PolarHBondContact O-N 2.96Å; K124-N127 VanDerWaalsContact O-N 3.14Å
125T50.3Low61.3Low85 Ų8569.8 Ų69.852%0.52137%0.368SS..Hα-helixtrans-68.3-30-17520.20000113.1I121 E122 N127 D128 T129I121-T125 WeakPolarHBondContact CG2-OG1 3.48Å; E122-T125 PolarHBondContact O-N 2.61Å; E122-T125 PolarHBondContact O-OG1 3.13Å; E122-T125 VanDerWaalsContact O-OG1 3.14Å; T125-N127 VanDerWaalsContact C-N 3.34Å; T125-D128 PolarHBondContact O-N 3.08Å; T125-T129 PolarHBondContact O-OG1 3.45Å
126L51.3Low61.8Low21 Ų2174 Ų7411%0.1139%0.386CS..Hα-helixtrans-63.4-38.3172.7-101.4153.2000112.7L10 N104 K124 D128L10-L126 VanDerWaalsContact O-CD1 3.24Å; L10-L126 WeakPolarHBondContact O-CD1 3.45Å; L10-L126 VanDerWaalsContact O-CD2 3.23Å; L10-L126 WeakPolarHBondContact O-CD2 3.47Å; N104-L126 WeakPolarHBondContact ND2-CD2 3.27Å; K124-L126 VanDerWaalsContact C-N 3.3Å; K124-L126 PolarHBondContact O-N 3.4Å; L126-D128 VanDerWaalsContact C-N 3.28Å; L126-D128 PolarHBondContact O-N 3.21Å
127N51.9Low62.4Low43 Ų4371.8 Ų71.823%0.2338%0.375CS..Hα-helixtrans-65.8-34.7-179-65-23.3000111.3H123 K124 T125 L131 Q184H123-N127 VanDerWaalsContact O-CG 3.3Å; H123-N127 PolarHBondContact O-N 3.44Å; H123-N127 PolarHBondContact O-ND2 3.22Å; H123-N127 PolarHBondContact O-OD1 3.06Å; K124-N127 WeakPolarHBondContact O-CB 3.01Å; K124-N127 PolarHBondContact O-N 2.96Å; K124-N127 VanDerWaalsContact O-N 3.14Å; T125-N127 VanDerWaalsContact C-N 3.34Å; N127-L131 WeakPolarHBondContact O-CG 3.47Å; N127-Q184 PolarHBondContact OD1-OE1 3.35Å
128D54.5Low63.3Low91 Ų9168.8 Ų68.849%0.48737%0.365SS..Hα-helixtrans-74.7-38.9-176.2-70.2-25000113.1T125 L126 W130 L131 Q132T125-D128 PolarHBondContact O-N 3.08Å; L126-D128 VanDerWaalsContact C-N 3.28Å; L126-D128 PolarHBondContact O-N 3.21Å; D128-W130 PolarHBondContact O-N 2.82Å; D128-L131 WeakPolarHBondContact O-CB 3.39Å; D128-L131 PolarHBondContact O-N 3.44Å; D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 3.01Å
129T55.7Low64.6Low28 Ų2871 Ų7117%0.17237%0.367CS..Hα-helixtrans-71.1-32.8-173.415.90000112.9F105 T125 Q132 T133F105-T129 HydrophobicContact CD2-CG2 3.25Å; F105-T129 HydrophobicContact CE2-CG2 3.38Å; F105-T129 HydrophobicContact CG-CG2 4.13Å; F105-T129 HydrophobicContact CZ-CG2 4.35Å; T125-T129 PolarHBondContact O-OG1 3.45Å; T129-Q132 PolarHBondContact O-N 3.29Å; T129-T133 PolarHBondContact O-N 2.93Å
130W56.4Low65.8Low18 Ų1871.6 Ų71.67%0.06836%0.363CS..Hα-helixtrans-67.8-38.4174.4176.980000112.3D128 Q132 T133 R147 T176 N179 Q184D128-W130 PolarHBondContact O-N 2.82Å; W130-Q132 PolarHBondContact O-N 3.32Å; W130-Q132 VanDerWaalsContact O-N 3.16Å; W130-T133 WeakPolarHBondContact O-CB 3.36Å; W130-T133 PolarHBondContact O-N 3.12Å; W130-T133 PolarHBondContact O-OG1 2.77Å; W130-R147 HydrophobicContact CH2-CB 3.94Å; W130-R147 VanDerWaalsContact CH2-CD 3.41Å; W130-R147 HydrophobicContact CH2-CG 4.17Å; W130-R147 HydrophobicContact CZ2-CB 3.86Å; W130-R147 HydrophobicContact CZ2-CG 4.4Å; W130-R147 PolarHBondContact O-NH1 3.07Å; W130-R147 VanDerWaalsContact O-NH1 3.09Å; W130-T176 HydrophobicContact CH2-CG2 4.41Å; W130-T176 WeakPolarHBondContact CH2-OG1 3.34Å; W130-T176 HydrophobicContact CZ2-CG2 4.18Å; W130-T176 WeakPolarHBondContact CZ2-OG1 3.37Å; W130-N179 WeakPolarHBondContact CZ3-OD1 3.48Å; W130-Q184 HydrophobicContact CE3-CG 4.23Å; W130-Q184 HydrophobicContact CZ3-CG 4.23Å
131L57.7Low67.1Low48 Ų4870.7 Ų70.725%0.25135%0.353SS..Hα-helixtrans-62.4-21.6175-65.5171.7000112.8N127 D128 R147 N179N127-L131 WeakPolarHBondContact O-CG 3.47Å; D128-L131 WeakPolarHBondContact O-CB 3.39Å; D128-L131 PolarHBondContact O-N 3.44Å; L131-R147 VanDerWaalsContact O-CZ 3.27Å; L131-R147 PolarHBondContact O-NH1 3.29Å; L131-R147 VanDerWaalsContact O-NH1 3.12Å; L131-R147 PolarHBondContact O-NH2 3.4Å; L131-N179 HydrophobicContact CD2-CB 3.53Å; L131-N179 VanDerWaalsContact CD2-ND2 3.35Å; L131-N179 WeakPolarHBondContact CD2-ND2 3.24Å; L131-N179 VanDerWaalsContact CD2-OD1 3.26Å; L131-N179 WeakPolarHBondContact CD2-OD1 3.28Å
132Q67.6Low68.3Low107 Ų10776.1 Ų76.150%0.537%0.374SS..THydrogen-bonded Turntrans-89.9-8.6178.6-65-179.230.100113.4D128 T129 W130 P134 L141D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 3.01Å; T129-Q132 PolarHBondContact O-N 3.29Å; W130-Q132 PolarHBondContact O-N 3.32Å; W130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-P134 WeakPolarHBondContact O-CD 3.14Å; Q132-L141 WeakPolarHBondContact O-CD2 3.19Å
133T74.5Confident69.7Low8 Ų870.1 Ų70.15%0.04935%0.345CS..PPolyproline II helixtrans-66.7120.9179.1-57.40000109.8T129 W130 W143 R147 V157T129-T133 PolarHBondContact O-N 2.93Å; W130-T133 WeakPolarHBondContact O-CB 3.36Å; W130-T133 PolarHBondContact O-N 3.12Å; W130-T133 PolarHBondContact O-OG1 2.77Å; T133-W143 WeakPolarHBondContact O-CZ3 3.32Å; T133-R147 PolarHBondContact O-NH1 3.38Å; T133-R147 VanDerWaalsContact O-NH1 3.1Å; T133-V157 HydrophobicContact CG2-CB 4.1Å; T133-V157 HydrophobicContact CG2-CG2 3.64Å
134P81.6Confident70.8Confident55 Ų5569.5 Ų69.536%0.35736%0.355SS..PPolyproline II helixtrans-68.6158.8179.423.4-30000111.9Q132 K136 K140 L141Q132-P134 WeakPolarHBondContact O-CD 3.14Å; P134-K136 PolarHBondContact O-N 3.02Å; P134-K140 CarbonylContact C-O 3.48Å; P134-K140 WeakPolarHBondContact CA-O 3.49Å; P134-L141 HydrophobicContact CB-CD2 3.55Å; P134-L141 HydrophobicContact CB-CG 4.07Å; P134-L141 HydrophobicContact CG-CD2 4.04Å
135C85.6Confident72.1Confident1 Ų163 Ų631%0.00733%0.332CS..PPolyproline II helixtrans-58.5126.8163.6179.30000109L137 C138 E139 K140 W143 V157 C159C135-L137 PolarHBondContact O-N 2.76Å; C135-C138 VanDerWaalsContact CB-SG 3.5Å; C135-C138 PolarHBondContact SG-SG 2.99Å; C135-E139 WeakPolarHBondContact O-CA 3.4Å; C135-E139 PolarHBondContact O-N 2.73Å; C135-K140 HydrophobicContact CB-CB 4.14Å; C135-K140 PolarHBondContact N-O 3.13Å; C135-W143 HydrophobicContact CB-CH2 4.08Å; C135-W143 HydrophobicContact CB-CZ3 4.32Å; C135-W143 VanDerWaalsContact N-CZ3 3.34Å; C135-V157 CarbonylContact C-O 3.58Å; C135-V157 VanDerWaalsContact CA-O 3.27Å; C135-V157 WeakPolarHBondContact CA-O 3.18Å; C135-C159 HydrophobicContact CB-CB 4.36Å; C135-C159 PolarHBondContact SG-N 2.9Å; C135-C159 VanDerWaalsContact SG-N 3.41Å
136K86.7Confident73.7Confident90 Ų9061.1 Ų61.139%0.39132%0.318SS..THydrogen-bonded Turntrans-61.7-31.5-176.5-178.263177.9171.20113.1P134 I156 V157 L158 Y167P134-K136 PolarHBondContact O-N 3.02Å; K136-I156 HydrophobicContact CB-CD1 4.17Å; K136-I156 HydrophobicContact CD-CD1 4.14Å; K136-I156 HydrophobicContact CG-CD1 3.59Å; K136-V157 PolarHBondContact N-O 3Å; K136-L158 HydrophobicContact CB-CD2 4.09Å; K136-Y167 HydrophobicContact CG-CE1 4.24Å
137L86.3Confident75.4Confident36 Ų3660.2 Ų60.219%0.18831%0.313CS..THydrogen-bonded Turntrans-92.5-50.8-170.4-171.961.1000112.2C135 L158 C162 T165 Y167 I216C135-L137 PolarHBondContact O-N 2.76Å; L137-L158 HydrophobicContact CB-CD2 4.24Å; L137-C162 HydrophobicContact CB-CB 4Å; L137-C162 HydrophobicContact CD2-CB 3.76Å; L137-C162 HydrophobicContact CG-CB 4.43Å; L137-T165 HydrophobicContact CD2-CG2 4.4Å; L137-Y167 HydrophobicContact CD1-CD2 3.94Å; L137-Y167 HydrophobicContact CD1-CE2 4.08Å; L137-Y167 HydrophobicContact CD1-CG 4.33Å; L137-Y167 HydrophobicContact CD2-CD2 4.4Å; L137-Y167 HydrophobicContact CD2-CG 4.07Å; L137-I216 HydrophobicContact CD1-CD1 4.24Å; L137-I216 HydrophobicContact CD2-CD1 3.64Å; L137-I216 HydrophobicContact CD2-CG2 4.48Å; L137-I216 HydrophobicContact CG-CD1 4.11Å
138C88.3Confident77.1Confident38 Ų3858.9 Ų58.926%0.25731%0.305SS..THydrogen-bonded Turntrans-100.80.3-178.868.20000114.4C135 K140 C159 I220C135-C138 VanDerWaalsContact CB-SG 3.5Å; C135-C138 PolarHBondContact SG-SG 2.99Å; C138-K140 PolarHBondContact O-N 3.27Å; C138-K140 WeakPolarHBondContact SG-CB 3.36Å; C138-C159 VanDerWaalsContact SG-SG 3.68Å; C138-I220 HydrophobicContact CB-CD1 3.42Å; C138-I220 VanDerWaalsContact CB-CD1 3.42Å
139E87.4Confident78.6Confident152 Ų15254.6 Ų54.671%0.7128%0.282SS*.  trans59.510-179.9-56.5-175.6167.300114.8C135 L141C135-E139 WeakPolarHBondContact O-CA 3.4Å; C135-E139 PolarHBondContact O-N 2.73Å; E139-L141 PolarHBondContact O-N 3.14Å
140K84Confident80Confident70 Ų7053.2 Ų53.230%0.30427%0.273SS..  trans-51.3125.7174.6-171.1175.9-171171.80109.3P134 C135 C138 W143 C159 E161P134-K140 CarbonylContact C-O 3.48Å; P134-K140 WeakPolarHBondContact CA-O 3.49Å; C135-K140 HydrophobicContact CB-CB 4.14Å; C135-K140 PolarHBondContact N-O 3.13Å; C138-K140 PolarHBondContact O-N 3.27Å; C138-K140 WeakPolarHBondContact SG-CB 3.36Å; K140-W143 HydrophobicContact CB-CE3 4.39Å; K140-W143 HydrophobicContact CD-CB 4Å; K140-W143 HydrophobicContact CD-CG 4.21Å; K140-W143 HydrophobicContact CG-CB 4.11Å; K140-W143 HydrophobicContact CG-CD2 4.43Å; K140-W143 HydrophobicContact CG-CE3 4.21Å; K140-W143 HydrophobicContact CG-CG 4.44Å; K140-W143 WeakPolarHBondContact O-CZ3 3.26Å; K140-C159 HydrophobicContact CD-CB 4.46Å; K140-E161 IonicContact NZ-OE1 2.77Å; K140-E161 PolarHBondContact NZ-OE1 3.22Å
141L83.7Confident81Confident109 Ų10953.5 Ų53.557%0.57128%0.276SS*.  trans-107154.7178.2-75.3164.8000110.2Q132 P134 E139 W143Q132-L141 WeakPolarHBondContact O-CD2 3.19Å; P134-L141 HydrophobicContact CB-CD2 3.55Å; P134-L141 HydrophobicContact CB-CG 4.07Å; P134-L141 HydrophobicContact CG-CD2 4.04Å; E139-L141 PolarHBondContact O-N 3.14Å; L141-W143 PolarHBondContact O-N 3.22Å
142K77.3Confident81.6Confident171 Ų17154.4 Ų54.474%0.74328%0.278SS*.SBendtrans47.437.8169.5-60.4-176.8179.4-179.90115.1
143W81.1Confident81.9Confident20 Ų2050.1 Ų50.18%0.07626%0.259CS..  trans-81.8146.217672.3100.4000111.4T133 C135 K140 L141 E146 R147 V157 C159T133-W143 WeakPolarHBondContact O-CZ3 3.32Å; C135-W143 HydrophobicContact CB-CH2 4.08Å; C135-W143 HydrophobicContact CB-CZ3 4.32Å; C135-W143 VanDerWaalsContact N-CZ3 3.34Å; K140-W143 HydrophobicContact CB-CE3 4.39Å; K140-W143 HydrophobicContact CD-CB 4Å; K140-W143 HydrophobicContact CD-CG 4.21Å; K140-W143 HydrophobicContact CG-CB 4.11Å; K140-W143 HydrophobicContact CG-CD2 4.43Å; K140-W143 HydrophobicContact CG-CE3 4.21Å; K140-W143 HydrophobicContact CG-CG 4.44Å; K140-W143 WeakPolarHBondContact O-CZ3 3.26Å; L141-W143 PolarHBondContact O-N 3.22Å; W143-E146 PolarHBondContact NE1-O 3.02Å; W143-R147 HydrophobicContact CZ2-CB 4.44Å; W143-R147 HydrophobicContact CZ2-CG 3.65Å; W143-V157 HydrophobicContact CH2-CG1 3.87Å; W143-V157 HydrophobicContact CZ2-CG1 3.99Å; W143-C159 HydrophobicContact CD2-CB 4.47Å; W143-C159 HydrophobicContact CZ2-CB 4.14Å
144S75.2Confident81.7Confident113 Ų11349.9 Ų49.979%0.7926%0.258SS*.  trans-82.1150.1168.851.20000110.2
145G77.7Confident81.2Confident19 Ų1949 Ų4920%0.19625%0.25CS..SBendtrans111.3-150.6175.400000114.4N178G145-N178 WeakPolarHBondContact CA-OD1 3.32Å; G145-N178 PolarHBondContact O-N 2.86Å
146E84.1Confident81.1Confident46 Ų4649.2 Ų49.222%0.21525%0.251CS..  trans-77.2136.5-175.4-62.4-174.4139.700111.7W143 Y148 R177W143-E146 PolarHBondContact NE1-O 3.02Å; E146-Y148 HydrophobicContact CB-CD2 4.35Å; E146-Y148 HydrophobicContact CB-CE2 3.62Å; E146-Y148 PolarHBondContact OE2-OH 3.46Å; E146-R177 HydrophobicContact CG-CG 4.21Å; E146-R177 IonicContact OE1-NE 3.3Å; E146-R177 PolarHBondContact OE1-NE 3.45Å
147R86.8Confident81.1Confident2 Ų245 Ų451%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-119.6119.3172.6-66.2-175.5168.6-136.5-1.4109.5W130 L131 T133 W143 T149 V157 T176W130-R147 HydrophobicContact CH2-CB 3.94Å; W130-R147 VanDerWaalsContact CH2-CD 3.41Å; W130-R147 HydrophobicContact CH2-CG 4.17Å; W130-R147 HydrophobicContact CZ2-CB 3.86Å; W130-R147 HydrophobicContact CZ2-CG 4.4Å; W130-R147 PolarHBondContact O-NH1 3.07Å; W130-R147 VanDerWaalsContact O-NH1 3.09Å; L131-R147 VanDerWaalsContact O-CZ 3.27Å; L131-R147 PolarHBondContact O-NH1 3.29Å; L131-R147 VanDerWaalsContact O-NH1 3.12Å; L131-R147 PolarHBondContact O-NH2 3.4Å; T133-R147 PolarHBondContact O-NH1 3.38Å; T133-R147 VanDerWaalsContact O-NH1 3.1Å; W143-R147 HydrophobicContact CZ2-CB 4.44Å; W143-R147 HydrophobicContact CZ2-CG 3.65Å; R147-T149 PolarHBondContact O-N 3.13Å; R147-V157 HydrophobicContact CB-CG1 4.03Å; R147-V157 HydrophobicContact CG-CG1 4.4Å; R147-T176 WeakPolarHBondContact CB-OG1 3.35Å; R147-T176 PolarHBondContact N-O 3.18Å; R147-T176 PolarHBondContact O-N 2.86Å; R147-T176 PolarHBondContact O-OG1 2.87Å
148Y87.9Confident81.2Confident15 Ų1543.2 Ų43.26%0.05922%0.224CC..EExtended strand (participates in β ladder)trans-94.997.7-177.2-70.3-92.1000108.2E146 V157 L158 K160 F163 I173 C175E146-Y148 HydrophobicContact CB-CD2 4.35Å; E146-Y148 HydrophobicContact CB-CE2 3.62Å; E146-Y148 PolarHBondContact OE2-OH 3.46Å; Y148-V157 CarbonylContact O-C 3.56Å; Y148-L158 PolarHBondContact N-O 3.43Å; Y148-L158 PolarHBondContact O-N 2.92Å; Y148-K160 HydrophobicContact CE2-CB 3.89Å; Y148-K160 HydrophobicContact CE2-CG 4.14Å; Y148-F163 HydrophobicContact CD1-CB 3.99Å; Y148-F163 AromaticContact CD1-CD1 3.41Å; Y148-F163 HydrophobicContact CD1-CD1 3.41Å; Y148-F163 VanDerWaalsContact CD1-CD1 3.41Å; Y148-F163 AromaticContact CD1-CD2 3.63Å; Y148-F163 HydrophobicContact CD1-CD2 3.63Å; Y148-F163 AromaticContact CD1-CE1 3.69Å; Y148-F163 HydrophobicContact CD1-CE1 3.69Å; Y148-F163 AromaticContact CD1-CE2 3.89Å; Y148-F163 HydrophobicContact CD1-CE2 3.89Å; Y148-F163 AromaticContact CD1-CG 3.36Å; Y148-F163 HydrophobicContact CD1-CG 3.36Å; Y148-F163 AromaticContact CD1-CZ 3.92Å; Y148-F163 HydrophobicContact CD1-CZ 3.92Å; Y148-F163 HydrophobicContact CD2-CB 3.86Å; Y148-F163 HydrophobicContact CD2-CD1 4.42Å; Y148-F163 HydrophobicContact CD2-CG 4.16Å; Y148-F163 AromaticContact CE1-CD1 3.37Å; Y148-F163 HydrophobicContact CE1-CD1 3.37Å; Y148-F163 HydrophobicContact CE1-CD2 4.42Å; Y148-F163 AromaticContact CE1-CE1 3.53Å; Y148-F163 HydrophobicContact CE1-CE1 3.53Å; Y148-F163 AromaticContact CE1-CG 3.85Å; Y148-F163 HydrophobicContact CE1-CG 3.85Å; Y148-F163 HydrophobicContact CE1-CZ 4.13Å; Y148-F163 HydrophobicContact CE2-CB 4.44Å; Y148-F163 HydrophobicContact CE2-CD1 4.43Å; Y148-F163 HydrophobicContact CG-CB 3.61Å; Y148-F163 AromaticContact CG-CD1 3.95Å; Y148-F163 HydrophobicContact CG-CD1 3.95Å; Y148-F163 AromaticContact CG-CD2 3.89Å; Y148-F163 HydrophobicContact CG-CD2 3.89Å; Y148-F163 AromaticContact CG-CG 3.53Å; Y148-F163 HydrophobicContact CG-CG 3.53Å; Y148-F163 AromaticContact CZ-CD1 3.92Å; Y148-I173 HydrophobicContact CD1-CG2 4.12Å; Y148-I173 HydrophobicContact CG-CG2 4.44Å; Y148-C175 HydrophobicContact CD1-CB 4.15Å; Y148-C175 HydrophobicContact CE1-CB 3.93Å
149T85.6Confident81.2Confident0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-107.6129.1-169.5-57.20000110.6R147 V157 I173 L174 L187R147-T149 PolarHBondContact O-N 3.13Å; T149-V157 HydrophobicContact CG2-CG2 4.01Å; T149-I173 WeakPolarHBondContact O-CA 3.47Å; T149-L174 PolarHBondContact N-O 3.45Å; T149-L174 PolarHBondContact O-N 2.76Å; T149-L187 HydrophobicContact CG2-CD1 4.09Å; T149-L187 HydrophobicContact CG2-CD2 3.67Å; T149-L187 HydrophobicContact CG2-CG 4.5Å
150C83.7Confident81.3Confident0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-67.3137.5175.8-176.20000111.1F152 C153 I156 H168 H171 I173 R191C150-F152 VanDerWaalsContact C-N 3.31Å; C150-F152 PolarHBondContact SG-N 3.36Å; C150-C153 HydrophobicContact CB-CB 4.09Å; C150-C153 PolarHBondContact SG-N 2.65Å; C150-I156 HydrophobicContact CB-CB 3.81Å; C150-I156 HydrophobicContact CB-CG2 4.14Å; C150-I156 PolarHBondContact N-O 3.05Å; C150-H168 PolarHBondContact SG-NE2 2.88Å; C150-H171 WeakPolarHBondContact SG-CB 3.47Å; C150-I173 HydrophobicContact CB-CG1 4.42Å; C150-R191 PolarHBondContact O-NE 2.95Å; C150-R191 PolarHBondContact O-NH2 3.16Å
151L77.3Confident81.6Confident23 Ų2338 Ų3812%0.1220%0.196CC..SBendtrans-74-21.7174.9-64.6-172.7000112.8P172 L174 L187 R191 V194L151-P172 HydrophobicContact CD1-CB 3.97Å; L151-P172 HydrophobicContact CG-CB 4.42Å; L151-P172 PolarHBondContact N-O 2.83Å; L151-L174 HydrophobicContact CD2-CB 3.8Å; L151-L174 HydrophobicContact CG-CB 4.42Å; L151-L187 HydrophobicContact CD2-CD1 3.57Å; L151-R191 HydrophobicContact CD2-CG 4.41Å; L151-R191 WeakPolarHBondContact O-CG 3.34Å; L151-V194 HydrophobicContact CB-CG1 4.3Å; L151-V194 HydrophobicContact CB-CG2 3.81Å; L151-V194 HydrophobicContact CD1-CG1 4.05Å; L151-V194 VanDerWaalsContact O-CG2 3.24Å; L151-V194 WeakPolarHBondContact O-CG2 3.34Å
152F71.4Confident82Confident68 Ų6832.9 Ų32.930%0.29817%0.169SC..SBendtrans-105.8-46.8-178.2-64.8-92.9000112.2C150 S154 H171 P172 V194C150-F152 VanDerWaalsContact C-N 3.31Å; C150-F152 PolarHBondContact SG-N 3.36Å; F152-S154 PolarHBondContact O-N 2.99Å; F152-H171 HydrophobicContact CD2-CB 3.97Å; F152-P172 HydrophobicContact CE2-CB 4.26Å; F152-P172 HydrophobicContact CE2-CG 3.83Å; F152-V194 HydrophobicContact CD1-CG2 4.28Å; F152-V194 HydrophobicContact CD2-CG2 4.45Å; F152-V194 HydrophobicContact CE1-CB 3.82Å; F152-V194 HydrophobicContact CE1-CG2 4.08Å; F152-V194 HydrophobicContact CE2-CB 4.08Å; F152-V194 HydrophobicContact CE2-CG1 4.21Å; F152-V194 HydrophobicContact CE2-CG2 4.22Å; F152-V194 HydrophobicContact CG-CG2 4.48Å; F152-V194 HydrophobicContact CZ-CB 3.59Å; F152-V194 HydrophobicContact CZ-CG1 4.02Å; F152-V194 HydrophobicContact CZ-CG2 4.07Å
153C74.4Confident82.6Confident16 Ų1627.8 Ų27.811%0.10815%0.147CC..  trans-91.2101.4-177.8-60.20000110.2C150 N155 I156 H168 H171C150-C153 HydrophobicContact CB-CB 4.09Å; C150-C153 PolarHBondContact SG-N 2.65Å; C153-N155 PolarHBondContact O-N 3.31Å; C153-N155 VanDerWaalsContact O-N 3.08Å; C153-I156 HydrophobicContact CB-CB 3.97Å; C153-I156 HydrophobicContact CB-CG1 3.32Å; C153-I156 PolarHBondContact O-N 3.32Å; C153-H168 PolarHBondContact SG-CE1 3.49Å; C153-H171 PolarHBondContact SG-CE1 2.86Å; C153-H171 PolarHBondContact SG-ND1 3.35Å
154S68.8Low83.1Confident4 Ų434.3 Ų34.33%0.02817%0.172CC..THydrogen-bonded Turntrans-67.6-14.1-171.193.30000113.9R11 F102 F152R11-S154 PolarHBondContact NH1-O 3.38Å; R11-S154 PolarHBondContact NH1-OG 3.29Å; R11-S154 PolarHBondContact NH2-O 3.42Å; F102-S154 WeakPolarHBondContact CD2-OG 2.98Å; F152-S154 PolarHBondContact O-N 2.99Å
155N73Confident83.7Confident35 Ų3532 Ų3219%0.18715%0.154CC..THydrogen-bonded Turntrans-102.33.5176.665-15.5000114.1C153C153-N155 PolarHBondContact O-N 3.31Å; C153-N155 VanDerWaalsContact O-N 3.08Å
156I82.4Confident84.1Confident6 Ų633 Ų333%0.03116%0.164CC..  trans-102.9103.5177-54.1-63000108.8K136 C150 C153 L158 H168K136-I156 HydrophobicContact CB-CD1 4.17Å; K136-I156 HydrophobicContact CD-CD1 4.14Å; K136-I156 HydrophobicContact CG-CD1 3.59Å; C150-I156 HydrophobicContact CB-CB 3.81Å; C150-I156 HydrophobicContact CB-CG2 4.14Å; C150-I156 PolarHBondContact N-O 3.05Å; C153-I156 HydrophobicContact CB-CB 3.97Å; C153-I156 HydrophobicContact CB-CG1 3.32Å; C153-I156 PolarHBondContact O-N 3.32Å; I156-L158 HydrophobicContact CG2-CD2 4.37Å; I156-L158 HydrophobicContact CG2-CG 4.19Å; I156-H168 HydrophobicContact CG2-CB 4.23Å
157V86.1Confident84.1Confident1 Ų133.3 Ų33.31%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-122132.8164.7-178.70000106.2T133 C135 K136 W143 R147 Y148 T149T133-V157 HydrophobicContact CG2-CB 4.1Å; T133-V157 HydrophobicContact CG2-CG2 3.64Å; C135-V157 CarbonylContact C-O 3.58Å; C135-V157 VanDerWaalsContact CA-O 3.27Å; C135-V157 WeakPolarHBondContact CA-O 3.18Å; K136-V157 PolarHBondContact N-O 3Å; W143-V157 HydrophobicContact CH2-CG1 3.87Å; W143-V157 HydrophobicContact CZ2-CG1 3.99Å; R147-V157 HydrophobicContact CB-CG1 4.03Å; R147-V157 HydrophobicContact CG-CG1 4.4Å; Y148-V157 CarbonylContact O-C 3.56Å; T149-V157 HydrophobicContact CG2-CG2 4.01Å
158L88.8Confident84Confident0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-119.5143177.9-55.2173.5000109.3K136 L137 Y148 I156 C162 F163 Y167 I173K136-L158 HydrophobicContact CB-CD2 4.09Å; L137-L158 HydrophobicContact CB-CD2 4.24Å; Y148-L158 PolarHBondContact N-O 3.43Å; Y148-L158 PolarHBondContact O-N 2.92Å; I156-L158 HydrophobicContact CG2-CD2 4.37Å; I156-L158 HydrophobicContact CG2-CG 4.19Å; L158-C162 HydrophobicContact CB-CB 4.26Å; L158-C162 HydrophobicContact CD2-CB 4.31Å; L158-F163 HydrophobicContact CB-CB 4.27Å; L158-F163 HydrophobicContact CD1-CB 4.5Å; L158-Y167 HydrophobicContact CD1-CD1 3.9Å; L158-Y167 WeakPolarHBondContact CD1-O 3.41Å; L158-Y167 HydrophobicContact CD2-CD1 3.65Å; L158-Y167 HydrophobicContact CD2-CE1 4.01Å; L158-Y167 HydrophobicContact CG-CD1 4.4Å; L158-I173 HydrophobicContact CD1-CD1 4.31Å
159C89Confident83.7Confident1 Ų139 Ų391%0.00720%0.195CC..  trans-72167.3161.767.60000109.6C135 C138 K140 W143 E161 C162 F163C135-C159 HydrophobicContact CB-CB 4.36Å; C135-C159 PolarHBondContact SG-N 2.9Å; C135-C159 VanDerWaalsContact SG-N 3.41Å; C138-C159 VanDerWaalsContact SG-SG 3.68Å; K140-C159 HydrophobicContact CD-CB 4.46Å; W143-C159 HydrophobicContact CD2-CB 4.47Å; W143-C159 HydrophobicContact CZ2-CB 4.14Å; C159-E161 VanDerWaalsContact C-N 3.27Å; C159-E161 WeakPolarHBondContact CB-OE2 3.24Å; C159-E161 PolarHBondContact O-N 2.98Å; C159-E161 PolarHBondContact SG-OE2 3.47Å; C159-C162 PolarHBondContact O-N 3.44Å; C159-C162 PolarHBondContact SG-SG 3.34Å; C159-F163 WeakPolarHBondContact O-CB 3.36Å; C159-F163 PolarHBondContact O-N 3.1Å
160K89.2Confident83.4Confident106 Ų10644.7 Ų44.746%0.46122%0.221SC..Hα-helixtrans-54.7-46.8-176.9-176.9-179.3176.5-174.90111.6Y148 C162 F163 Y164Y148-K160 HydrophobicContact CE2-CB 3.89Å; Y148-K160 HydrophobicContact CE2-CG 4.14Å; K160-C162 PolarHBondContact O-N 3.13Å; K160-F163 PolarHBondContact O-N 3.38Å; K160-Y164 HydrophobicContact CD-CE2 4.24Å; K160-Y164 HydrophobicContact CG-CD2 3.89Å; K160-Y164 HydrophobicContact CG-CE2 3.5Å; K160-Y164 WeakPolarHBondContact O-CD2 3.48Å; K160-Y164 PolarHBondContact O-N 3.04Å; K160-Y164 VanDerWaalsContact O-N 3.16Å
161E90.2Very high83.3Confident44 Ų4445.4 Ų45.421%0.20623%0.225CC..Hα-helixtrans-58.4-50.3-179.5-51.588.9147.300110.7K140 C159 F163 Y164 E223K140-E161 IonicContact NZ-OE1 2.77Å; K140-E161 PolarHBondContact NZ-OE1 3.22Å; C159-E161 VanDerWaalsContact C-N 3.27Å; C159-E161 WeakPolarHBondContact CB-OE2 3.24Å; C159-E161 PolarHBondContact O-N 2.98Å; C159-E161 PolarHBondContact SG-OE2 3.47Å; E161-F163 PolarHBondContact O-N 3.16Å; E161-Y164 PolarHBondContact O-N 3.49Å; E161-E223 WeakPolarHBondContact CG-OE2 3.38Å
162C92.6Very high83.6Confident1 Ų148 Ų481%0.00724%0.242CC..Hα-helixtrans-71.3-30.2179.9-68.10000113L137 L158 C159 K160 T165L137-C162 HydrophobicContact CB-CB 4Å; L137-C162 HydrophobicContact CD2-CB 3.76Å; L137-C162 HydrophobicContact CG-CB 4.43Å; L158-C162 HydrophobicContact CB-CB 4.26Å; L158-C162 HydrophobicContact CD2-CB 4.31Å; C159-C162 PolarHBondContact O-N 3.44Å; C159-C162 PolarHBondContact SG-SG 3.34Å; K160-C162 PolarHBondContact O-N 3.13Å; C162-T165 WeakPolarHBondContact O-CB 3.45Å; C162-T165 PolarHBondContact O-N 3.41Å; C162-T165 PolarHBondContact O-OG1 2.82Å
163F90.3Very high84.3Confident64 Ų6446.7 Ų46.728%0.28124%0.238SC..Hα-helixtrans-63.5-44.7174.7172.5-106.4000111.7Y148 L158 C159 K160 E161 T165 G166 I173Y148-F163 HydrophobicContact CD1-CB 3.99Å; Y148-F163 AromaticContact CD1-CD1 3.41Å; Y148-F163 HydrophobicContact CD1-CD1 3.41Å; Y148-F163 VanDerWaalsContact CD1-CD1 3.41Å; Y148-F163 AromaticContact CD1-CD2 3.63Å; Y148-F163 HydrophobicContact CD1-CD2 3.63Å; Y148-F163 AromaticContact CD1-CE1 3.69Å; Y148-F163 HydrophobicContact CD1-CE1 3.69Å; Y148-F163 AromaticContact CD1-CE2 3.89Å; Y148-F163 HydrophobicContact CD1-CE2 3.89Å; Y148-F163 AromaticContact CD1-CG 3.36Å; Y148-F163 HydrophobicContact CD1-CG 3.36Å; Y148-F163 AromaticContact CD1-CZ 3.92Å; Y148-F163 HydrophobicContact CD1-CZ 3.92Å; Y148-F163 HydrophobicContact CD2-CB 3.86Å; Y148-F163 HydrophobicContact CD2-CD1 4.42Å; Y148-F163 HydrophobicContact CD2-CG 4.16Å; Y148-F163 AromaticContact CE1-CD1 3.37Å; Y148-F163 HydrophobicContact CE1-CD1 3.37Å; Y148-F163 HydrophobicContact CE1-CD2 4.42Å; Y148-F163 AromaticContact CE1-CE1 3.53Å; Y148-F163 HydrophobicContact CE1-CE1 3.53Å; Y148-F163 AromaticContact CE1-CG 3.85Å; Y148-F163 HydrophobicContact CE1-CG 3.85Å; Y148-F163 HydrophobicContact CE1-CZ 4.13Å; Y148-F163 HydrophobicContact CE2-CB 4.44Å; Y148-F163 HydrophobicContact CE2-CD1 4.43Å; Y148-F163 HydrophobicContact CG-CB 3.61Å; Y148-F163 AromaticContact CG-CD1 3.95Å; Y148-F163 HydrophobicContact CG-CD1 3.95Å; Y148-F163 AromaticContact CG-CD2 3.89Å; Y148-F163 HydrophobicContact CG-CD2 3.89Å; Y148-F163 AromaticContact CG-CG 3.53Å; Y148-F163 HydrophobicContact CG-CG 3.53Å; Y148-F163 AromaticContact CZ-CD1 3.92Å; L158-F163 HydrophobicContact CB-CB 4.27Å; L158-F163 HydrophobicContact CD1-CB 4.5Å; C159-F163 WeakPolarHBondContact O-CB 3.36Å; C159-F163 PolarHBondContact O-N 3.1Å; K160-F163 PolarHBondContact O-N 3.38Å; E161-F163 PolarHBondContact O-N 3.16Å; F163-T165 PolarHBondContact O-N 2.9Å; F163-T165 VanDerWaalsContact O-N 3.12Å; F163-G166 PolarHBondContact O-N 3.38Å; F163-I173 HydrophobicContact CD2-CD1 3.89Å; F163-I173 HydrophobicContact CD2-CG2 4.1Å; F163-I173 HydrophobicContact CE2-CB 4.11Å; F163-I173 HydrophobicContact CE2-CD1 3.86Å; F163-I173 HydrophobicContact CE2-CG2 3.85Å
164Y90.7Very high84.9Confident156 Ų15647.8 Ų47.861%0.61224%0.243SC*.THydrogen-bonded Turntrans-68.7-8.7179.7-73.7-62.9000114.8K160 E161 G166K160-Y164 HydrophobicContact CD-CE2 4.24Å; K160-Y164 HydrophobicContact CG-CD2 3.89Å; K160-Y164 HydrophobicContact CG-CE2 3.5Å; K160-Y164 WeakPolarHBondContact O-CD2 3.48Å; K160-Y164 PolarHBondContact O-N 3.04Å; K160-Y164 VanDerWaalsContact O-N 3.16Å; E161-Y164 PolarHBondContact O-N 3.49Å; Y164-G166 PolarHBondContact O-N 3.27Å
165T87.7Confident85.6Confident66 Ų6649.5 Ų49.541%0.40525%0.254SS..THydrogen-bonded Turntrans-69.5-14.2170.170.30000112.7L137 C162 F163 Y167 I216L137-T165 HydrophobicContact CD2-CG2 4.4Å; C162-T165 WeakPolarHBondContact O-CB 3.45Å; C162-T165 PolarHBondContact O-N 3.41Å; C162-T165 PolarHBondContact O-OG1 2.82Å; F163-T165 PolarHBondContact O-N 2.9Å; F163-T165 VanDerWaalsContact O-N 3.12Å; T165-Y167 VanDerWaalsContact C-N 3.27Å; T165-Y167 WeakPolarHBondContact OG1-CB 3.36Å; T165-Y167 PolarHBondContact OG1-N 3.49Å; T165-I216 HydrophobicContact CG2-CD1 4.21Å; T165-I216 HydrophobicContact CG2-CG1 3.85Å
166G86Confident85.8Confident39 Ų3947.9 Ų47.940%0.40225%0.246SC..THydrogen-bonded Turntrans79.48.1-170.900000113.6F163 Y164 H168 N169F163-G166 PolarHBondContact O-N 3.38Å; Y164-G166 PolarHBondContact O-N 3.27Å; G166-H168 PolarHBondContact O-N 3.15Å; G166-N169 PolarHBondContact O-N 3.34Å
167Y85.1Confident85.2Confident53 Ų5355.4 Ų55.421%0.20827%0.274CS..THydrogen-bonded Turntrans-59.6128.7173.6-179-95000110.7K136 L137 L158 T165K136-Y167 HydrophobicContact CG-CE1 4.24Å; L137-Y167 HydrophobicContact CD1-CD2 3.94Å; L137-Y167 HydrophobicContact CD1-CE2 4.08Å; L137-Y167 HydrophobicContact CD1-CG 4.33Å; L137-Y167 HydrophobicContact CD2-CD2 4.4Å; L137-Y167 HydrophobicContact CD2-CG 4.07Å; L158-Y167 HydrophobicContact CD1-CD1 3.9Å; L158-Y167 WeakPolarHBondContact CD1-O 3.41Å; L158-Y167 HydrophobicContact CD2-CD1 3.65Å; L158-Y167 HydrophobicContact CD2-CE1 4.01Å; L158-Y167 HydrophobicContact CG-CD1 4.4Å; T165-Y167 VanDerWaalsContact C-N 3.27Å; T165-Y167 WeakPolarHBondContact OG1-CB 3.36Å; T165-Y167 PolarHBondContact OG1-N 3.49Å
168H83.5Confident84.3Confident12 Ų1260.6 Ų60.66%0.05630%0.301CS..THydrogen-bonded Turntrans6639.7178.4-157.471.6000115C150 C153 I156 G166 E170 H171 P204C150-H168 PolarHBondContact SG-NE2 2.88Å; C153-H168 PolarHBondContact SG-CE1 3.49Å; I156-H168 HydrophobicContact CG2-CB 4.23Å; G166-H168 PolarHBondContact O-N 3.15Å; H168-E170 VanDerWaalsContact C-N 3.28Å; H168-E170 PolarHBondContact O-N 2.84Å; H168-H171 AromaticContact CE1-ND1 3.32Å; H168-H171 PolarHBondContact CE1-ND1 2.8Å; H168-H171 VanDerWaalsContact CE1-ND1 3.32Å; H168-H171 AromaticContact NE2-CG 3.74Å; H168-H171 AromaticContact NE2-ND1 3.11Å; H168-H171 PolarHBondContact NE2-ND1 3.08Å; H168-H171 VanDerWaalsContact NE2-ND1 3.11Å; H168-P204 VanDerWaalsContact ND1-CG 3.32Å; H168-P204 WeakPolarHBondContact ND1-CG 3.3Å
169N81.3Confident82.9Confident125 Ų12563.1 Ų63.167%0.66832%0.315SS*.THydrogen-bonded Turntrans-72.1-1117763.8-18.1000115.4G166 H171G166-N169 PolarHBondContact O-N 3.34Å; N169-H171 PolarHBondContact O-N 3.02Å
170E80.3Confident81.6Confident118 Ų11869.8 Ų69.855%0.55134%0.344SS*.THydrogen-bonded Turntrans-68.9-18.8179.7-59.6-68.7173.700113.5H168 P204H168-E170 VanDerWaalsContact C-N 3.28Å; H168-E170 PolarHBondContact O-N 2.84Å; E170-P204 HydrophobicContact CG-CB 4.3Å
171H82.2Confident80.2Confident16 Ų1669.8 Ų69.87%0.07435%0.348CS..SBendtrans-123.6141.7-176.8-68156.4000111.9C150 F152 C153 H168 N169 I173 W199C150-H171 WeakPolarHBondContact SG-CB 3.47Å; F152-H171 HydrophobicContact CD2-CB 3.97Å; C153-H171 PolarHBondContact SG-CE1 2.86Å; C153-H171 PolarHBondContact SG-ND1 3.35Å; H168-H171 AromaticContact CE1-ND1 3.32Å; H168-H171 PolarHBondContact CE1-ND1 2.8Å; H168-H171 VanDerWaalsContact CE1-ND1 3.32Å; H168-H171 AromaticContact NE2-CG 3.74Å; H168-H171 AromaticContact NE2-ND1 3.11Å; H168-H171 PolarHBondContact NE2-ND1 3.08Å; H168-H171 VanDerWaalsContact NE2-ND1 3.11Å; N169-H171 PolarHBondContact O-N 3.02Å; H171-I173 PolarHBondContact O-N 2.83Å; H171-W199 AromaticContact NE2-NE1 3.77Å
172P82.5Confident78.8Confident76 Ų7675.1 Ų75.149%0.49437%0.371SS..  trans-50.1127.6166.5-30.934.7000112.8L151 F152L151-P172 HydrophobicContact CD1-CB 3.97Å; L151-P172 HydrophobicContact CG-CB 4.42Å; L151-P172 PolarHBondContact N-O 2.83Å; F152-P172 HydrophobicContact CE2-CB 4.26Å; F152-P172 HydrophobicContact CE2-CG 3.83Å
173I86.3Confident77.5Confident41 Ų4175.7 Ų75.721%0.2138%0.375CS..EExtended strand (participates in β ladder)trans-114.5133.4177.7-73.9175.6000108.6Y148 T149 C150 L158 F163 H171Y148-I173 HydrophobicContact CD1-CG2 4.12Å; Y148-I173 HydrophobicContact CG-CG2 4.44Å; T149-I173 WeakPolarHBondContact O-CA 3.47Å; C150-I173 HydrophobicContact CB-CG1 4.42Å; L158-I173 HydrophobicContact CD1-CD1 4.31Å; F163-I173 HydrophobicContact CD2-CD1 3.89Å; F163-I173 HydrophobicContact CD2-CG2 4.1Å; F163-I173 HydrophobicContact CE2-CB 4.11Å; F163-I173 HydrophobicContact CE2-CD1 3.86Å; F163-I173 HydrophobicContact CE2-CG2 3.85Å; H171-I173 PolarHBondContact O-N 2.83Å
174L86.2Confident76.3Confident40 Ų4073.3 Ų73.321%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-102.3130.6172.2-170.373.9000109.6T149 L151 L186 L187T149-L174 PolarHBondContact N-O 3.45Å; T149-L174 PolarHBondContact O-N 2.76Å; L151-L174 HydrophobicContact CD2-CB 3.8Å; L151-L174 HydrophobicContact CG-CB 4.42Å; L174-L186 HydrophobicContact CD2-CD2 4.47Å; L174-L186 HydrophobicContact CD2-CG 4.25Å; L174-L187 HydrophobicContact CB-CD1 4.11Å; L174-L187 HydrophobicContact CD2-CB 3.85Å; L174-L187 HydrophobicContact CD2-CD1 3.96Å
175C84.7Confident75.1Confident40 Ų4072.1 Ų72.127%0.2736%0.363SS..EExtended strand (participates in β ladder)trans-81.1119.8170-179.60000109.7Y148Y148-C175 HydrophobicContact CD1-CB 4.15Å; Y148-C175 HydrophobicContact CE1-CB 3.93Å
176T76.1Confident74.5Confident0 Ų072.6 Ų72.60%036%0.362CS..EExtended strand (participates in β ladder)trans-102.3105.2172.148.60000108.1W130 R147 L187W130-T176 HydrophobicContact CH2-CG2 4.41Å; W130-T176 WeakPolarHBondContact CH2-OG1 3.34Å; W130-T176 HydrophobicContact CZ2-CG2 4.18Å; W130-T176 WeakPolarHBondContact CZ2-OG1 3.37Å; R147-T176 WeakPolarHBondContact CB-OG1 3.35Å; R147-T176 PolarHBondContact N-O 3.18Å; R147-T176 PolarHBondContact O-N 2.86Å; R147-T176 PolarHBondContact O-OG1 2.87Å; T176-L187 HydrophobicContact CG2-CB 4.1Å; T176-L187 HydrophobicContact CG2-CD2 3.97Å
177R70.9Confident73.8Confident165 Ų16571 Ų7162%0.62334%0.344SS*.  trans-83.7132-172.6-66.9-174.6170158.64111.4E146 N179 K180E146-R177 HydrophobicContact CG-CG 4.21Å; E146-R177 IonicContact OE1-NE 3.3Å; E146-R177 PolarHBondContact OE1-NE 3.45Å; R177-N179 PolarHBondContact O-N 2.93Å; R177-K180 PolarHBondContact O-N 3.27Å; R177-K180 VanDerWaalsContact O-N 3.08Å
178N65.7Low72.9Confident110 Ų11071.2 Ų71.259%0.58835%0.347SS*.THydrogen-bonded Turntrans47.934.7169.2-75.2-8.1000113.9G145 K180G145-N178 WeakPolarHBondContact CA-OD1 3.32Å; G145-N178 PolarHBondContact O-N 2.86Å; N178-K180 PolarHBondContact O-N 2.97Å
179N59.8Low72.1Confident52 Ų5274.2 Ų74.228%0.27837%0.369SS..THydrogen-bonded Turntrans54.124.9177.8-58.6-28.6000113.9W130 L131 R177 L181W130-N179 WeakPolarHBondContact CZ3-OD1 3.48Å; L131-N179 HydrophobicContact CD2-CB 3.53Å; L131-N179 VanDerWaalsContact CD2-ND2 3.35Å; L131-N179 WeakPolarHBondContact CD2-ND2 3.24Å; L131-N179 VanDerWaalsContact CD2-OD1 3.26Å; L131-N179 WeakPolarHBondContact CD2-OD1 3.28Å; R177-N179 PolarHBondContact O-N 2.93Å; N179-L181 PolarHBondContact O-N 3.38Å
180K63.3Low71.8Confident141 Ų14169.5 Ų69.561%0.61335%0.346SS*.  trans-65.7133.3-178.9-71.9-170.8177.5-172.90110R177 N178 F182 S183 Q184R177-K180 PolarHBondContact O-N 3.27Å; R177-K180 VanDerWaalsContact O-N 3.08Å; N178-K180 PolarHBondContact O-N 2.97Å; K180-F182 PolarHBondContact O-N 2.7Å; K180-F182 VanDerWaalsContact O-N 3.15Å; K180-S183 WeakPolarHBondContact O-CB 3Å; K180-S183 PolarHBondContact O-N 3.02Å; K180-S183 PolarHBondContact O-OG 2.97Å; K180-Q184 PolarHBondContact O-N 3.15Å
181L59.4Low71.3Confident106 Ų10664.8 Ų64.856%0.55532%0.323SS*.Hα-helixtrans-52.6-39.4-179.4-155.887.2000113N179 S183 Q184 K185N179-L181 PolarHBondContact O-N 3.38Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.46Å; L181-Q184 WeakPolarHBondContact O-CB 3.5Å; L181-Q184 PolarHBondContact O-N 3.02Å; L181-Q184 VanDerWaalsContact O-N 3.15Å; L181-K185 PolarHBondContact O-N 2.89Å
182F59.2Low70.3Confident157 Ų15767.6 Ų67.669%0.68934%0.338SS*.Hα-helixtrans-57-44.8176.1174.2-99.8000112.4K180 Q184 K185 L186K180-F182 PolarHBondContact O-N 2.7Å; K180-F182 VanDerWaalsContact O-N 3.15Å; F182-Q184 PolarHBondContact O-N 3.27Å; F182-K185 PolarHBondContact O-N 2.79Å; F182-L186 HydrophobicContact CE1-CD2 4.19Å; F182-L186 HydrophobicContact CZ-CD2 4.49Å; F182-L186 WeakPolarHBondContact O-CB 3.43Å; F182-L186 PolarHBondContact O-N 3.14Å
183S66.9Low69.6Low12 Ų1266.7 Ų66.78%0.08434%0.337CS..Hα-helixtrans-65.5-30.2-179.471.70000112K180 L181 L187K180-S183 WeakPolarHBondContact O-CB 3Å; K180-S183 PolarHBondContact O-N 3.02Å; K180-S183 PolarHBondContact O-OG 2.97Å; L181-S183 VanDerWaalsContact C-N 3.33Å; L181-S183 PolarHBondContact O-N 3.46Å; S183-L187 VanDerWaalsContact O-CB 3.27Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.38Å
184Q64.6Low68.6Low15 Ų1566 Ų667%0.0734%0.335CS..Hα-helixtrans-71.8-47.2175.7-63.2173-17.900111.6N127 W130 K180 L181 F182 L186 L187 Q188N127-Q184 PolarHBondContact OD1-OE1 3.35Å; W130-Q184 HydrophobicContact CE3-CG 4.23Å; W130-Q184 HydrophobicContact CZ3-CG 4.23Å; K180-Q184 PolarHBondContact O-N 3.15Å; L181-Q184 WeakPolarHBondContact O-CB 3.5Å; L181-Q184 PolarHBondContact O-N 3.02Å; L181-Q184 VanDerWaalsContact O-N 3.15Å; F182-Q184 PolarHBondContact O-N 3.27Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.16Å; Q184-L187 WeakPolarHBondContact O-CB 3.12Å; Q184-L187 PolarHBondContact O-N 3.02Å; Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 2.73Å
185K66.4Low67.4Low131 Ų13165.3 Ų65.357%0.5734%0.335SS*.Hα-helixtrans-60.1-44.1175.8-121.8175.2-176.1178.60111L181 F182 L187 Q188 C189L181-K185 PolarHBondContact O-N 2.89Å; F182-K185 PolarHBondContact O-N 2.79Å; K185-L187 PolarHBondContact O-N 3.13Å; K185-Q188 PolarHBondContact O-N 2.84Å; K185-C189 WeakPolarHBondContact O-CB 2.89Å; K185-C189 PolarHBondContact O-N 2.83Å; K185-C189 PolarHBondContact O-SG 3.4Å
186L73.5Confident65.9Low75 Ų7565.7 Ų65.739%0.39334%0.338SS..Hα-helixtrans-61.6-44.1174.9-178.262.2000111.6L174 F182 Q184 C189 S190L174-L186 HydrophobicContact CD2-CD2 4.47Å; L174-L186 HydrophobicContact CD2-CG 4.25Å; F182-L186 HydrophobicContact CE1-CD2 4.19Å; F182-L186 HydrophobicContact CZ-CD2 4.49Å; F182-L186 WeakPolarHBondContact O-CB 3.43Å; F182-L186 PolarHBondContact O-N 3.14Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.16Å; L186-C189 PolarHBondContact O-N 2.92Å; L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.86Å; L186-S190 PolarHBondContact O-OG 3.37Å
187L71.5Confident65.1Low6 Ų669.7 Ų69.73%0.03136%0.362CS..Hα-helixtrans-59.9-46.1175.8177.363.1000111.6T149 L151 L174 T176 S183 Q184 K185 S190 R191T149-L187 HydrophobicContact CG2-CD1 4.09Å; T149-L187 HydrophobicContact CG2-CD2 3.67Å; T149-L187 HydrophobicContact CG2-CG 4.5Å; L151-L187 HydrophobicContact CD2-CD1 3.57Å; L174-L187 HydrophobicContact CB-CD1 4.11Å; L174-L187 HydrophobicContact CD2-CB 3.85Å; L174-L187 HydrophobicContact CD2-CD1 3.96Å; T176-L187 HydrophobicContact CG2-CB 4.1Å; T176-L187 HydrophobicContact CG2-CD2 3.97Å; S183-L187 VanDerWaalsContact O-CB 3.27Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.38Å; Q184-L187 WeakPolarHBondContact O-CB 3.12Å; Q184-L187 PolarHBondContact O-N 3.02Å; K185-L187 PolarHBondContact O-N 3.13Å; L187-S190 PolarHBondContact O-N 3.22Å; L187-R191 HydrophobicContact CD1-CG 4.23Å; L187-R191 WeakPolarHBondContact O-CB 3.24Å; L187-R191 VanDerWaalsContact O-CG 3.29Å; L187-R191 WeakPolarHBondContact O-CG 3.3Å; L187-R191 PolarHBondContact O-N 3.22Å
188Q67.1Low64.3Low58 Ų5865.3 Ų65.327%0.27136%0.355SS..Hα-helixtrans-59.3-51177-74171.3-11.100111.2Q184 K185 S190 R191 L192Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 2.73Å; K185-Q188 PolarHBondContact O-N 2.84Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 3.46Å; Q188-R191 PolarHBondContact O-N 2.84Å; Q188-L192 WeakPolarHBondContact O-CG 3.49Å; Q188-L192 PolarHBondContact O-N 2.95Å
189C67.2Low63.8Low75 Ų7563.5 Ų63.551%0.50734%0.34SS..Hα-helixtrans-61.1-40176.7-67.30000111.9K185 L186 L192 A193K185-C189 WeakPolarHBondContact O-CB 2.89Å; K185-C189 PolarHBondContact O-N 2.83Å; K185-C189 PolarHBondContact O-SG 3.4Å; L186-C189 PolarHBondContact O-N 2.92Å; C189-L192 PolarHBondContact O-N 2.91Å; C189-A193 WeakPolarHBondContact O-CB 3.39Å; C189-A193 PolarHBondContact O-N 3.17Å
190S74.8Confident63.5Low26 Ų2670.1 Ų70.118%0.18237%0.366CS..Hα-helixtrans-64.6-43.2178-59.30000111.2L186 L187 Q188 A193 V194L186-S190 WeakPolarHBondContact O-CB 3.41Å; L186-S190 PolarHBondContact O-N 2.86Å; L186-S190 PolarHBondContact O-OG 3.37Å; L187-S190 PolarHBondContact O-N 3.22Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 3.46Å; S190-A193 PolarHBondContact O-N 2.93Å; S190-V194 WeakPolarHBondContact O-CG2 3.39Å; S190-V194 PolarHBondContact O-N 3.48Å
191R69.2Low62.9Low18 Ų1866.2 Ų66.27%0.06835%0.352CS..Hα-helixtrans-59.4-45.9174.2-76.1-178.1164-178.5-8111.6C150 L151 L187 Q188 A193 V194 A195C150-R191 PolarHBondContact O-NE 2.95Å; C150-R191 PolarHBondContact O-NH2 3.16Å; L151-R191 HydrophobicContact CD2-CG 4.41Å; L151-R191 WeakPolarHBondContact O-CG 3.34Å; L187-R191 HydrophobicContact CD1-CG 4.23Å; L187-R191 WeakPolarHBondContact O-CB 3.24Å; L187-R191 VanDerWaalsContact O-CG 3.29Å; L187-R191 WeakPolarHBondContact O-CG 3.3Å; L187-R191 PolarHBondContact O-N 3.22Å; Q188-R191 PolarHBondContact O-N 2.84Å; R191-A193 VanDerWaalsContact C-N 3.33Å; R191-A193 PolarHBondContact O-N 3.49Å; R191-V194 WeakPolarHBondContact O-CG2 3.16Å; R191-V194 PolarHBondContact O-N 3.35Å; R191-A195 WeakPolarHBondContact O-CB 3.39Å; R191-A195 PolarHBondContact O-N 2.99Å
192L62Low62.1Low75 Ų7565.9 Ų65.939%0.39335%0.354SS..Hα-helixtrans-61-41.7174.9-71.4170.7000112.2Q188 C189 S196Q188-L192 WeakPolarHBondContact O-CG 3.49Å; Q188-L192 PolarHBondContact O-N 2.95Å; C189-L192 PolarHBondContact O-N 2.91Å; L192-S196 PolarHBondContact O-N 2.94Å
193A67Low61.1Low58 Ų5860.7 Ų60.748%0.47933%0.334SS..Hα-helixtrans-64.3-48.6177.700000111.3C189 S190 R191 A195 S196C189-A193 WeakPolarHBondContact O-CB 3.39Å; C189-A193 PolarHBondContact O-N 3.17Å; S190-A193 PolarHBondContact O-N 2.93Å; R191-A193 VanDerWaalsContact C-N 3.33Å; R191-A193 PolarHBondContact O-N 3.49Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.31Å; A193-S196 VanDerWaalsContact O-CB 3.3Å; A193-S196 WeakPolarHBondContact O-CB 3.43Å; A193-S196 PolarHBondContact O-N 3.24Å; A193-S196 VanDerWaalsContact O-N 3.13Å; A193-S196 PolarHBondContact O-OG 3.39Å
194V65.7Low59.7Low27 Ų2762.1 Ų62.116%0.16434%0.343CS..Hα-helixtrans-70.9-29.6179.8-60.10000113L151 F152 S190 R191 S196 V197L151-V194 HydrophobicContact CB-CG1 4.3Å; L151-V194 HydrophobicContact CB-CG2 3.81Å; L151-V194 HydrophobicContact CD1-CG1 4.05Å; L151-V194 VanDerWaalsContact O-CG2 3.24Å; L151-V194 WeakPolarHBondContact O-CG2 3.34Å; F152-V194 HydrophobicContact CD1-CG2 4.28Å; F152-V194 HydrophobicContact CD2-CG2 4.45Å; F152-V194 HydrophobicContact CE1-CB 3.82Å; F152-V194 HydrophobicContact CE1-CG2 4.08Å; F152-V194 HydrophobicContact CE2-CB 4.08Å; F152-V194 HydrophobicContact CE2-CG1 4.21Å; F152-V194 HydrophobicContact CE2-CG2 4.22Å; F152-V194 HydrophobicContact CG-CG2 4.48Å; F152-V194 HydrophobicContact CZ-CB 3.59Å; F152-V194 HydrophobicContact CZ-CG1 4.02Å; F152-V194 HydrophobicContact CZ-CG2 4.07Å; S190-V194 WeakPolarHBondContact O-CG2 3.39Å; S190-V194 PolarHBondContact O-N 3.48Å; R191-V194 WeakPolarHBondContact O-CG2 3.16Å; R191-V194 PolarHBondContact O-N 3.35Å; V194-S196 PolarHBondContact O-N 3.01Å; V194-S196 VanDerWaalsContact O-N 3.12Å; V194-V197 WeakPolarHBondContact O-CB 3.26Å; V194-V197 PolarHBondContact O-N 2.68Å
195A60.1Low58.4Low24 Ų2469.6 Ų69.620%0.19838%0.375CS..Hα-helixtrans-61-19.6172.200000112.8V18 R191 A193 V197V18-A195 WeakPolarHBondContact O-CB 3.41Å; R191-A195 WeakPolarHBondContact O-CB 3.39Å; R191-A195 PolarHBondContact O-N 2.99Å; A193-A195 VanDerWaalsContact C-N 3.34Å; A193-A195 PolarHBondContact O-N 3.31Å; A195-V197 VanDerWaalsContact C-N 3.35Å
196S54.7Low56.9Low49 Ų4967.3 Ų67.334%0.34337%0.372SS..THydrogen-bonded Turntrans-78.9-17.717483.70000113.8R20 L192 A193 V194R20-S196 WeakPolarHBondContact CD-O 3.35Å; R20-S196 PolarHBondContact NH1-O 3.1Å; L192-S196 PolarHBondContact O-N 2.94Å; A193-S196 VanDerWaalsContact O-CB 3.3Å; A193-S196 WeakPolarHBondContact O-CB 3.43Å; A193-S196 PolarHBondContact O-N 3.24Å; A193-S196 VanDerWaalsContact O-N 3.13Å; A193-S196 PolarHBondContact O-OG 3.39Å; V194-S196 PolarHBondContact O-N 3.01Å; V194-S196 VanDerWaalsContact O-N 3.12Å
197V57.5Low55.2Low83 Ų8373 Ų7350%0.50339%0.389SS..SBendtrans-93.2124.1-176.1-174.80000110.1V194 A195V194-V197 WeakPolarHBondContact O-CB 3.26Å; V194-V197 PolarHBondContact O-N 2.68Å; A195-V197 VanDerWaalsContact C-N 3.35Å
198P53.9Low53.8Low73 Ų7380.6 Ų80.647%0.47442%0.422SS..  trans-67.6131.2175.625.5-30.5000111.4H22H22-P198 VanDerWaalsContact CD2-CB 3.48Å; H22-P198 WeakPolarHBondContact CD2-CB 3.38Å
199W56.9Low52.8Low72 Ų7280 Ų8027%0.27342%0.421SS..  trans-112.9147.5-174132.777.4000112.4I42 H171 N201 L203I42-W199 HydrophobicContact CG1-CZ3 4.4Å; H171-W199 AromaticContact NE2-NE1 3.77Å; W199-N201 WeakPolarHBondContact CH2-OD1 3.46Å; W199-N201 HydrophobicContact CZ2-CB 4.28Å; W199-N201 WeakPolarHBondContact CZ2-OD1 3.21Å; W199-N201 VanDerWaalsContact CZ3-OD1 3.3Å; W199-N201 WeakPolarHBondContact CZ3-OD1 3.4Å; W199-N201 PolarHBondContact O-N 3.22Å; W199-L203 HydrophobicContact CH2-CD2 4.43Å; W199-L203 HydrophobicContact CZ2-CD2 4.24Å; W199-L203 HydrophobicContact CZ2-CG 4.4Å
200K53.8Low52.1Low191 Ų19181 Ų8183%0.8343%0.426SS*.  trans-80106.7170.8-83.3-176.6176.7177.70109.6T202K200-T202 VanDerWaalsContact C-N 3.34Å; K200-T202 PolarHBondContact O-N 3.15Å
201N49.3Very low51.2Low60 Ų6088.3 Ų88.332%0.32145%0.45SS..  trans-5681.6179.8-73.57.8000114.3Q41 W199Q41-N201 PolarHBondContact OE1-ND2 2.83Å; W199-N201 WeakPolarHBondContact CH2-OD1 3.46Å; W199-N201 HydrophobicContact CZ2-CB 4.28Å; W199-N201 WeakPolarHBondContact CZ2-OD1 3.21Å; W199-N201 VanDerWaalsContact CZ3-OD1 3.3Å; W199-N201 WeakPolarHBondContact CZ3-OD1 3.4Å; W199-N201 PolarHBondContact O-N 3.22Å
202T42.3Very low50.4Low98 Ų9891.7 Ų91.760%0.60147%0.47SS*.  trans-121.588.8151.438.10000107.1K200K200-T202 VanDerWaalsContact C-N 3.34Å; K200-T202 PolarHBondContact O-N 3.15Å
203L39Very low50Low48 Ų4890.8 Ų90.825%0.25147%0.465SS..PPolyproline II helixtrans-56.8134.4160.3-78.2-179.6000107.5Q41 W199 K205Q41-L203 WeakPolarHBondContact O-CD1 3.41Å; Q41-L203 WeakPolarHBondContact O-CG 3.35Å; W199-L203 HydrophobicContact CH2-CD2 4.43Å; W199-L203 HydrophobicContact CZ2-CD2 4.24Å; W199-L203 HydrophobicContact CZ2-CG 4.4Å; L203-K205 PolarHBondContact O-N 3.07Å
204P37.3Very low49.4Very low43 Ų4393.7 Ų93.728%0.27947%0.469SS..PPolyproline II helixtrans-59.4118.3173.518-24.5000108.1H168 E170 V206H168-P204 VanDerWaalsContact ND1-CG 3.32Å; H168-P204 WeakPolarHBondContact ND1-CG 3.3Å; E170-P204 HydrophobicContact CG-CB 4.3Å; P204-V206 PolarHBondContact O-N 3.27Å; P204-V206 VanDerWaalsContact O-N 3.13Å
205K36.4Very low49Very low172 Ų172100.9 Ų100.975%0.74849%0.493SS*.PPolyproline II helixtrans-55.8122165.2-74.2-178.4179.4177.20105.6L203 Y207L203-K205 PolarHBondContact O-N 3.07Å; K205-Y207 HydrophobicContact CB-CD2 4.09Å; K205-Y207 HydrophobicContact CB-CE2 4.24Å; K205-Y207 HydrophobicContact CD-CE2 4.28Å; K205-Y207 PolarHBondContact O-N 3.12Å
206V36.8Very low48.6Very low82 Ų82101 Ų10150%0.49749%0.49SS..  trans-67.587.5170.4-175.40000106.3P204 K208P204-V206 PolarHBondContact O-N 3.27Å; P204-V206 VanDerWaalsContact O-N 3.13Å; V206-K208 HydrophobicContact CG1-CG 3.95Å; V206-K208 PolarHBondContact O-N 3.33Å
207Y37.3Very low48.8Very low195 Ų195106.9 Ų106.977%0.76550%0.504SS*.  trans-69.894.7163.1-94.1-86.5000106K205 D209K205-Y207 HydrophobicContact CB-CD2 4.09Å; K205-Y207 HydrophobicContact CB-CE2 4.24Å; K205-Y207 HydrophobicContact CD-CE2 4.28Å; K205-Y207 PolarHBondContact O-N 3.12Å; Y207-D209 PolarHBondContact O-N 2.65Å
208K41.3Very low49.1Very low166 Ų166107.9 Ų107.972%0.72250%0.504SS*.  trans-69.282.5160.8-67-171.1176.3-1720106.4V206 P210V206-K208 HydrophobicContact CG1-CG 3.95Å; V206-K208 PolarHBondContact O-N 3.33Å; K208-P210 VanDerWaalsContact O-CD 3.3Å; K208-P210 WeakPolarHBondContact O-CD 3.27Å
209D47.4Very low49.4Very low44 Ų44108 Ų10824%0.23550%0.503CS..  trans-77.5112160.7-172.8-26000106.2Y207 R211 N212 D213Y207-D209 PolarHBondContact O-N 2.65Å; D209-R211 PolarHBondContact O-N 2.73Å; D209-R211 VanDerWaalsContact OD1-CB 3.28Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 WeakPolarHBondContact OD1-CG 3.32Å; D209-R211 IonicContact OD1-CZ 3.39Å; D209-R211 PolarHBondContact OD1-N 2.77Å; D209-R211 IonicContact OD1-NE 3.31Å; D209-R211 PolarHBondContact OD1-NE 2.99Å; D209-R211 IonicContact OD1-NH2 2.68Å; D209-R211 IonicContact OD2-CZ 3.89Å; D209-R211 IonicContact OD2-NE 3.05Å; D209-R211 PolarHBondContact OD2-NE 2.83Å; D209-R211 IonicContact OD2-NH2 3.82Å; D209-R211 PolarHBondContact OD2-NH2 2.81Å; D209-N212 HydrophobicContact CB-CB 4.31Å; D209-N212 PolarHBondContact O-N 2.86Å; D209-D213 PolarHBondContact O-N 3.25Å
210P51.5Low49.2Very low96 Ų96106.1 Ų106.162%0.62350%0.498SS*.Hα-helixtrans-54.4-29.2-179.2-22.132.6000112.6K208 D213 E214K208-P210 VanDerWaalsContact O-CD 3.3Å; K208-P210 WeakPolarHBondContact O-CD 3.27Å; P210-D213 PolarHBondContact O-N 3.1Å; P210-E214 PolarHBondContact O-N 3.37Å
211R56.1Low49.4Very low180 Ų180101.6 Ų101.668%0.67948%0.483SS*.Hα-helixtrans-71.4-32.6179.8-58.8172.4-65.6-178.33.2112.2D209 R215D209-R211 PolarHBondContact O-N 2.73Å; D209-R211 VanDerWaalsContact OD1-CB 3.28Å; D209-R211 WeakPolarHBondContact OD1-CB 3.41Å; D209-R211 WeakPolarHBondContact OD1-CG 3.32Å; D209-R211 IonicContact OD1-CZ 3.39Å; D209-R211 PolarHBondContact OD1-N 2.77Å; D209-R211 IonicContact OD1-NE 3.31Å; D209-R211 PolarHBondContact OD1-NE 2.99Å; D209-R211 IonicContact OD1-NH2 2.68Å; D209-R211 IonicContact OD2-CZ 3.89Å; D209-R211 IonicContact OD2-NE 3.05Å; D209-R211 PolarHBondContact OD2-NE 2.83Å; D209-R211 IonicContact OD2-NH2 3.82Å; D209-R211 PolarHBondContact OD2-NH2 2.81Å; R211-R215 PolarHBondContact O-N 3.29Å
212N52.6Low49.9Very low90 Ų90106.5 Ų106.548%0.48150%0.501SS..Hα-helixtrans-70.2-42.7172.8-93.1-5000110.3D209 E214 R215 I216D209-N212 HydrophobicContact CB-CB 4.31Å; D209-N212 PolarHBondContact O-N 2.86Å; N212-E214 PolarHBondContact O-N 2.78Å; N212-R215 PolarHBondContact O-N 2.83Å; N212-I216 WeakPolarHBondContact O-CB 3.01Å; N212-I216 VanDerWaalsContact O-CD1 3.28Å; N212-I216 WeakPolarHBondContact O-CD1 3.4Å; N212-I216 WeakPolarHBondContact O-CG1 3.45Å; N212-I216 PolarHBondContact O-N 3.11Å
213D52.5Low50.5Low56 Ų56105.7 Ų105.730%0.29949%0.491SS..Hα-helixtrans-58.5-40175.1-77.7-9.9000111.2D209 P210 I216 R217D209-D213 PolarHBondContact O-N 3.25Å; P210-D213 PolarHBondContact O-N 3.1Å; D213-I216 PolarHBondContact O-N 3.35Å; D213-R217 WeakPolarHBondContact O-CB 3.32Å; D213-R217 WeakPolarHBondContact O-CG 3.31Å; D213-R217 PolarHBondContact O-N 3.19Å
214E56Low51.1Low119 Ų119106.4 Ų106.456%0.55650%0.495SS*.Hα-helixtrans-69.8-44177.5-168.7153.2-160.600112.9P210 N212 I216 R217 Q218P210-E214 PolarHBondContact O-N 3.37Å; N212-E214 PolarHBondContact O-N 2.78Å; E214-I216 VanDerWaalsContact C-N 3.3Å; E214-I216 PolarHBondContact O-N 3.16Å; E214-R217 PolarHBondContact O-N 3.49Å; E214-Q218 WeakPolarHBondContact O-CB 3.35Å; E214-Q218 VanDerWaalsContact O-CG 3.28Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-N 3.09Å
215R56.5Low51.7Low177 Ų177109.1 Ų109.167%0.66851%0.507SS*.Hα-helixtrans-58.3-43.4171.8-84.1-176.7168.1-174.2-3111.8R211 N212 Q218 T219R211-R215 PolarHBondContact O-N 3.29Å; N212-R215 PolarHBondContact O-N 2.83Å; R215-Q218 PolarHBondContact O-N 2.86Å; R215-T219 PolarHBondContact O-N 3.25Å; R215-T219 PolarHBondContact O-OG1 3.18Å
216I51.9Low52Low26 Ų26108 Ų10813%0.13350%0.5CS..Hα-helixtrans-63.1-46.9177.6-68.2161000110.2L137 T165 N212 D213 E214 Q218 T219 I220L137-I216 HydrophobicContact CD1-CD1 4.24Å; L137-I216 HydrophobicContact CD2-CD1 3.64Å; L137-I216 HydrophobicContact CD2-CG2 4.48Å; L137-I216 HydrophobicContact CG-CD1 4.11Å; T165-I216 HydrophobicContact CG2-CD1 4.21Å; T165-I216 HydrophobicContact CG2-CG1 3.85Å; N212-I216 WeakPolarHBondContact O-CB 3.01Å; N212-I216 VanDerWaalsContact O-CD1 3.28Å; N212-I216 WeakPolarHBondContact O-CD1 3.4Å; N212-I216 WeakPolarHBondContact O-CG1 3.45Å; N212-I216 PolarHBondContact O-N 3.11Å; D213-I216 PolarHBondContact O-N 3.35Å; E214-I216 VanDerWaalsContact C-N 3.3Å; E214-I216 PolarHBondContact O-N 3.16Å; I216-Q218 VanDerWaalsContact C-N 3.32Å; I216-Q218 PolarHBondContact O-N 3.22Å; I216-T219 PolarHBondContact O-N 3.03Å; I216-I220 HydrophobicContact CG2-CD1 3.63Å; I216-I220 HydrophobicContact CG2-CG1 4.36Å; I216-I220 WeakPolarHBondContact O-CB 3.48Å; I216-I220 VanDerWaalsContact O-CG1 3.25Å; I216-I220 WeakPolarHBondContact O-CG1 3.48Å; I216-I220 PolarHBondContact O-N 3.42Å
217R58.1Low52.1Low173 Ų173110.3 Ų110.365%0.65350%0.503SS*.Hα-helixtrans-58.5-42.9175.4-77.2173.4-178.9-170.10.7111.9D213 E214 I220 N221D213-R217 WeakPolarHBondContact O-CB 3.32Å; D213-R217 WeakPolarHBondContact O-CG 3.31Å; D213-R217 PolarHBondContact O-N 3.19Å; E214-R217 PolarHBondContact O-N 3.49Å; R217-I220 PolarHBondContact O-N 3.42Å; R217-N221 WeakPolarHBondContact O-CB 3.34Å; R217-N221 VanDerWaalsContact O-CG 3.25Å; R217-N221 PolarHBondContact O-N 2.65Å; R217-N221 PolarHBondContact O-ND2 3.2Å
218Q63.7Low52.6Low105 Ų105105.6 Ų105.649%0.49149%0.491SS..Hα-helixtrans-64.2-43.7177.6-72.9175.47.500112E214 R215 I216 N221 K222E214-Q218 WeakPolarHBondContact O-CB 3.35Å; E214-Q218 VanDerWaalsContact O-CG 3.28Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-N 3.09Å; R215-Q218 PolarHBondContact O-N 2.86Å; I216-Q218 VanDerWaalsContact C-N 3.32Å; I216-Q218 PolarHBondContact O-N 3.22Å; Q218-N221 PolarHBondContact O-N 2.93Å; Q218-K222 WeakPolarHBondContact O-CG 3.41Å; Q218-K222 PolarHBondContact O-N 3.22Å
219T61.3Low53.1Low76 Ų76103.5 Ų103.547%0.46648%0.484SS..Hα-helixtrans-64.3-44.3177.1-550000111.3R215 I216 N221 K222 E223R215-T219 PolarHBondContact O-N 3.25Å; R215-T219 PolarHBondContact O-OG1 3.18Å; I216-T219 PolarHBondContact O-N 3.03Å; T219-N221 PolarHBondContact O-N 3.49Å; T219-K222 PolarHBondContact O-N 3.14Å; T219-E223 PolarHBondContact O-N 2.88Å
220I53.2Low53.1Low31 Ų31104.6 Ų104.616%0.15949%0.489CS..Hα-helixtrans-61.7-43.9176.7-68.6168.1000111.1C138 I216 R217 K222 E223 N224C138-I220 HydrophobicContact CB-CD1 3.42Å; C138-I220 VanDerWaalsContact CB-CD1 3.42Å; I216-I220 HydrophobicContact CG2-CD1 3.63Å; I216-I220 HydrophobicContact CG2-CG1 4.36Å; I216-I220 WeakPolarHBondContact O-CB 3.48Å; I216-I220 VanDerWaalsContact O-CG1 3.25Å; I216-I220 WeakPolarHBondContact O-CG1 3.48Å; I216-I220 PolarHBondContact O-N 3.42Å; R217-I220 PolarHBondContact O-N 3.42Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 3.39Å; I220-E223 PolarHBondContact O-N 2.89Å; I220-N224 WeakPolarHBondContact CG2-ND2 3.47Å; I220-N224 WeakPolarHBondContact O-CB 3.45Å; I220-N224 PolarHBondContact O-N 2.69Å; I220-N224 PolarHBondContact O-ND2 3.23Å
221N57.6Low52.8Low97 Ų97104.2 Ų104.252%0.51948%0.482SS..Hα-helixtrans-64.9-37.4178.7-76.1-14000112.1R217 Q218 T219 N225R217-N221 WeakPolarHBondContact O-CB 3.34Å; R217-N221 VanDerWaalsContact O-CG 3.25Å; R217-N221 PolarHBondContact O-N 2.65Å; R217-N221 PolarHBondContact O-ND2 3.2Å; Q218-N221 PolarHBondContact O-N 2.93Å; T219-N221 PolarHBondContact O-N 3.49Å; N221-N225 WeakPolarHBondContact O-CB 3.45Å; N221-N225 VanDerWaalsContact O-CG 3.29Å; N221-N225 PolarHBondContact O-N 3.47Å; N221-N225 PolarHBondContact O-ND2 3.31Å
222K59.9Low52.4Low162 Ų162103 Ų10370%0.70448%0.482SS*.Hα-helixtrans-63.8-46.1174.5-78.2-177.9179.1-178.90111.9Q218 T219 I220 N225 Y226Q218-K222 WeakPolarHBondContact O-CG 3.41Å; Q218-K222 PolarHBondContact O-N 3.22Å; T219-K222 PolarHBondContact O-N 3.14Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 3.39Å; K222-N225 PolarHBondContact O-N 3.03Å; K222-Y226 PolarHBondContact O-N 3.04Å
223E54.1Low52.2Low81 Ų81103.6 Ų103.638%0.37948%0.484SS..Hα-helixtrans-68.7-40179.4-73.6-169.1174.500112.7E161 T219 I220 N225 Y226 F227E161-E223 WeakPolarHBondContact CG-OE2 3.38Å; T219-E223 PolarHBondContact O-N 2.88Å; I220-E223 PolarHBondContact O-N 2.89Å; E223-N225 VanDerWaalsContact C-N 3.3Å; E223-N225 PolarHBondContact O-N 3Å; E223-Y226 WeakPolarHBondContact O-CB 3.08Å; E223-Y226 PolarHBondContact O-N 3.47Å; E223-Y226 VanDerWaalsContact O-N 3.13Å; E223-F227 PolarHBondContact O-N 3.28Å
224N51.9Low51.9Low64 Ų64103.3 Ų103.334%0.34249%0.486SS..Hα-helixtrans-63.3-37.3175.2-74.9-21.8000111.8I220 Y226 F227 N228I220-N224 WeakPolarHBondContact CG2-ND2 3.47Å; I220-N224 WeakPolarHBondContact O-CB 3.45Å; I220-N224 PolarHBondContact O-N 2.69Å; I220-N224 PolarHBondContact O-ND2 3.23Å; N224-Y226 VanDerWaalsContact C-N 3.33Å; N224-F227 PolarHBondContact O-N 3.28Å; N224-N228 WeakPolarHBondContact O-CB 3.15Å; N224-N228 PolarHBondContact O-N 2.76Å; N224-N228 PolarHBondContact O-ND2 2.91Å
225N48.9Very low51.3Low100 Ų100102.7 Ų102.754%0.53549%0.487SS..Hα-helixtrans-65.6-37.6173.4-78.7-23000111.9N221 K222 E223 Q229N221-N225 WeakPolarHBondContact O-CB 3.45Å; N221-N225 VanDerWaalsContact O-CG 3.29Å; N221-N225 PolarHBondContact O-N 3.47Å; N221-N225 PolarHBondContact O-ND2 3.31Å; K222-N225 PolarHBondContact O-N 3.03Å; E223-N225 VanDerWaalsContact C-N 3.3Å; E223-N225 PolarHBondContact O-N 3Å; N225-Q229 WeakPolarHBondContact O-CB 3.5Å; N225-Q229 WeakPolarHBondContact O-CG 3.32Å; N225-Q229 PolarHBondContact O-N 3.31Å
226Y43.8Very low50.7Low149 Ų149100.1 Ų100.158%0.58449%0.487SS*.Hα-helixtrans-66.3-43.2175.6-162-98.9000112K222 E223 N224 Q229 N230K222-Y226 PolarHBondContact O-N 3.04Å; E223-Y226 WeakPolarHBondContact O-CB 3.08Å; E223-Y226 PolarHBondContact O-N 3.47Å; E223-Y226 VanDerWaalsContact O-N 3.13Å; N224-Y226 VanDerWaalsContact C-N 3.33Å; Y226-Q229 PolarHBondContact O-N 3.31Å; Y226-N230 VanDerWaalsContact CD1-ND2 3.34Å; Y226-N230 WeakPolarHBondContact CD1-ND2 3.16Å; Y226-N230 WeakPolarHBondContact CE1-ND2 3.46Å; Y226-N230 PolarHBondContact O-N 2.91Å; Y226-N230 PolarHBondContact O-ND2 2.93Å
227F39.6Very low50.3Low129 Ų129106.2 Ų106.257%0.56652%0.515SS*.Hα-helixtrans-64.5-44174.8-97.4-82.3000112.4E223 N224 Q229 N230 D231E223-F227 PolarHBondContact O-N 3.28Å; N224-F227 PolarHBondContact O-N 3.28Å; F227-Q229 VanDerWaalsContact C-N 3.28Å; F227-Q229 PolarHBondContact O-N 3.3Å; F227-N230 PolarHBondContact O-N 2.88Å; F227-D231 PolarHBondContact O-N 3.25Å
228N46.2Very low49.4Very low96 Ų96106 Ų10651%0.51352%0.518SS..Hα-helixtrans-64.8-30.7176.9-78.1-26.2000112.9N224 K232N224-N228 WeakPolarHBondContact O-CB 3.15Å; N224-N228 PolarHBondContact O-N 2.76Å; N224-N228 PolarHBondContact O-ND2 2.91Å; N228-K232 WeakPolarHBondContact O-CG 3.45Å; N228-K232 PolarHBondContact O-N 2.95Å
229Q51.9Low48.1Very low123 Ų123108.4 Ų108.458%0.57553%0.529SS*.Hα-helixtrans-71-42.3172.8-78.4-179.3-6.600111.5N225 Y226 F227 K232 I233N225-Q229 WeakPolarHBondContact O-CB 3.5Å; N225-Q229 WeakPolarHBondContact O-CG 3.32Å; N225-Q229 PolarHBondContact O-N 3.31Å; Y226-Q229 PolarHBondContact O-N 3.31Å; F227-Q229 VanDerWaalsContact C-N 3.28Å; F227-Q229 PolarHBondContact O-N 3.3Å; Q229-K232 PolarHBondContact O-N 3.46Å; Q229-I233 WeakPolarHBondContact O-CG1 3.42Å; Q229-I233 PolarHBondContact O-N 3.03Å
230N48.8Very low46.8Very low66 Ų66111.9 Ų111.935%0.35355%0.545SS..Hα-helixtrans-70-35179-69.2-20.6000112.8Y226 F227 K232 I233 S234Y226-N230 VanDerWaalsContact CD1-ND2 3.34Å; Y226-N230 WeakPolarHBondContact CD1-ND2 3.16Å; Y226-N230 WeakPolarHBondContact CE1-ND2 3.46Å; Y226-N230 PolarHBondContact O-N 2.91Å; Y226-N230 PolarHBondContact O-ND2 2.93Å; F227-N230 PolarHBondContact O-N 2.88Å; N230-K232 VanDerWaalsContact C-N 3.34Å; N230-I233 PolarHBondContact O-N 3.13Å; N230-S234 PolarHBondContact O-N 3.27Å
231D44.7Very low45.9Very low88 Ų88119.8 Ų119.847%0.47158%0.578SS.*Hα-helixtrans-68.1-35.2174.4-75.9-19.8000111.5F227 S234 N235F227-D231 PolarHBondContact O-N 3.25Å; D231-S234 PolarHBondContact O-N 3.22Å; D231-S234 PolarHBondContact O-OG 3.45Å; D231-N235 PolarHBondContact O-N 3.2Å; D231-N235 VanDerWaalsContact O-N 3.14Å
232K46.9Very low44.6Very low155 Ų155126 Ų12667%0.67460%0.595SS**Hα-helixtrans-67.4-37.5172.2-79.1-176.2178.3-175.80112.8N228 Q229 N230 S234 N235 N236N228-K232 WeakPolarHBondContact O-CG 3.45Å; N228-K232 PolarHBondContact O-N 2.95Å; Q229-K232 PolarHBondContact O-N 3.46Å; N230-K232 VanDerWaalsContact C-N 3.34Å; K232-S234 VanDerWaalsContact C-N 3.35Å; K232-N235 PolarHBondContact O-N 3.17Å; K232-N236 PolarHBondContact O-N 3.19Å
233I48.5Very low43.1Very low102 Ų102125.9 Ų125.952%0.52360%0.6SS.*Hα-helixtrans-66.6-40.1174.9-65.5165000110.1Q229 N230 N235 N236 E237Q229-I233 WeakPolarHBondContact O-CG1 3.42Å; Q229-I233 PolarHBondContact O-N 3.03Å; N230-I233 PolarHBondContact O-N 3.13Å; I233-N235 VanDerWaalsContact C-N 3.3Å; I233-N235 PolarHBondContact O-N 3.06Å; I233-N236 PolarHBondContact O-N 3.47Å; I233-E237 PolarHBondContact O-N 3.34Å
234S46.4Very low41.9Very low50 Ų50130 Ų13035%0.3562%0.623SS.*Hα-helixtrans-67.7-27.5179.387.60000114.1N230 D231 K232N230-S234 PolarHBondContact O-N 3.27Å; D231-S234 PolarHBondContact O-N 3.22Å; D231-S234 PolarHBondContact O-OG 3.45Å; K232-S234 VanDerWaalsContact C-N 3.35Å
235N43Very low40.8Very low106 Ų106134.2 Ų134.257%0.56764%0.644SS**Hα-helixtrans-83-30.3178.5-78.8-24.5000113.1D231 K232 I233 K238D231-N235 PolarHBondContact O-N 3.2Å; D231-N235 VanDerWaalsContact O-N 3.14Å; K232-N235 PolarHBondContact O-N 3.17Å; I233-N235 VanDerWaalsContact C-N 3.3Å; I233-N235 PolarHBondContact O-N 3.06Å; N235-K238 PolarHBondContact O-N 3.28Å
236N45.1Very low39.9Very low124 Ų124138.9 Ų138.966%0.66366%0.661SS**Hα-helixtrans-71.1-30.1174.9-86.8-4.2000112.7K232 I233K232-N236 PolarHBondContact O-N 3.19Å; I233-N236 PolarHBondContact O-N 3.47Å
237E43.3Very low39.3Very low154 Ų154141.9 Ų141.972%0.7268%0.677SS**Hα-helixtrans-77.7-20.3176.8-72.3-168.5156.100113.8I233I233-E237 PolarHBondContact O-N 3.34Å
238K38.7Very low38.8Very low167 Ų167144.8 Ų144.873%0.72669%0.689SS**Hα-helixtrans-87.4-14.1179.5-80.8-178.9179.7170.80114.9N235N235-K238 PolarHBondContact O-N 3.28Å
239Q35.5Very low38.1Very low156 Ų156146.5 Ų146.573%0.72970%0.703SS**G310 helixtrans-82-17.5177.7-98.2178.6-900114.5
240N34.5Very low37.5Very low150 Ų150149.1 Ų149.180%0.80275%0.746SS**G310 helixtrans-94.511.7-176.2-91.1-8.3000116.5
241K35.6Very low37Very low196 Ų196153.3 Ų153.385%0.85277%0.765SS**G310 helixtrans-127.417.4178.4-77.7-171177.9177.50116.5
242R29.1Very low36.6Very low229 Ų229156.7 Ų156.786%0.86478%0.781SS**SBendtrans-121.110.3-178.7-102.5-175-178.5-177.90.3118.3
243I28.3Very low36Very low158 Ų158156.8 Ų156.881%0.8179%0.787SS**SBendtrans-132.562177.5-44.1177.7000111.7
244I29.3Very low35.2Very low168 Ų168160 Ų16086%0.86280%0.802SS**  trans-148.276.7148.2-47.7178000106.9
245L29.6Very low34.5Very low152 Ų152166.9 Ų166.980%0.79683%0.83SS**  trans-131.237.4174.3-132.8152.7000110.8
246F30.3Very low34Very low199 Ų199170.9 Ų170.987%0.87385%0.848SS**SBendtrans-151.497.7164.2-76.4-74.9000109.7
247K29.7Very low33.2Very low212 Ų212174.3 Ų174.392%0.92286%0.861SS**  trans16287.2144.2-90173.2179.2-175.20109.1
248K29.7Very low32.4Very low189 Ų189175.8 Ų175.882%0.82287%0.872SS**  trans-127.4111.5156.6-96.7-168.9175.3-175.70106.3
249T31.3Very low31.9Very low132 Ų132176.6 Ų176.681%0.8188%0.884SS**  74.5123.1117.658.20000112.9
250A39.7Very low31.6Very low178 Ų178178.5 Ų178.5100%1.47190%0.898SS**  cis-141.8021.500000110.7

Retrieved 250 of 250 residues in 642.2 ms (Link to these results)

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