A0A077ZHC5_TRITR Loading...

C1 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M42.9Very low73.5Confident240 Ų24072.2 Ų72.2100%1.18234%0.344SS*.  095.80-88.2176.9143.400109.8K3M1-K3 PolarHBondContact O-N 3.15Å
2F52.1Low75.1Confident107 Ų10766.4 Ų66.447%0.46932%0.316SS..PPolyproline II helixtrans-69.4121.9170.6-100.2-86.7000108.8L92 C119F2-L92 HydrophobicContact CB-CD1 4.26Å; F2-L92 HydrophobicContact CD2-CD2 3.95Å; F2-L92 HydrophobicContact CE2-CD2 4.17Å; F2-L92 HydrophobicContact CG-CD1 4.5Å; F2-L92 HydrophobicContact CG-CD2 4.29Å; F2-C119 HydrophobicContact CE1-CB 3.82Å; F2-C119 WeakPolarHBondContact CE1-SG 3.47Å; F2-C119 HydrophobicContact CE2-CB 4.29Å; F2-C119 HydrophobicContact CZ-CB 3.54Å; F2-C119 WeakPolarHBondContact CZ-SG 3.43Å
3K52.5Low76.4Confident191 Ų19164.4 Ų64.483%0.8331%0.311SS*.PPolyproline II helixtrans-63.3138.7174.5-66.3-176.6176.8-176.60108.6M1 G5M1-K3 PolarHBondContact O-N 3.15Å; K3-G5 PolarHBondContact O-N 3.26Å
4E59.3Low77.5Confident166 Ų16667.3 Ų67.378%0.77632%0.321SS*.THydrogen-bonded Turntrans-46.7133.1176.2-63.8-177.7132.900110.5
5G66Low78.5Confident13 Ų1364.3 Ų64.313%0.13431%0.312CS..THydrogen-bonded Turntrans106.50.6174.500000117.4K3 E122K3-G5 PolarHBondContact O-N 3.26Å; G5-E122 VanDerWaalsContact O-CG 3.3Å; G5-E122 WeakPolarHBondContact O-CG 3.41Å
6G82.5Confident79.2Confident5 Ų564.4 Ų64.45%0.05232%0.317CS..  trans-62162.9170.900000113.9V64 M120G6-V64 WeakPolarHBondContact O-CB 3.3Å; G6-V64 PolarHBondContact O-N 2.84Å; G6-M120 CarbonylContact C-O 3.53Å; G6-M120 VanDerWaalsContact CA-O 3.3Å; G6-M120 WeakPolarHBondContact CA-O 3.11Å
7V88.2Confident79.6Confident20 Ų2063.7 Ų63.712%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-108.5122.2173.1-175.30000109.6D61 M120 E122V7-D61 HydrophobicContact CG1-CB 3.73Å; V7-M120 HydrophobicContact CB-CB 4.24Å; V7-M120 HydrophobicContact CB-CE 3.78Å; V7-M120 HydrophobicContact CB-SD 4.14Å; V7-M120 HydrophobicContact CG1-CE 3.43Å; V7-M120 VanDerWaalsContact CG1-CE 3.43Å; V7-M120 HydrophobicContact CG1-SD 4.38Å; V7-M120 PolarHBondContact N-O 2.74Å; V7-M120 PolarHBondContact O-N 2.76Å; V7-E122 HydrophobicContact CG2-CG 3.84Å; V7-E122 WeakPolarHBondContact CG2-OE1 3.13Å
8L89.3Confident79.3Confident0 Ų067.5 Ų67.50%033%0.332CS..EExtended strand (participates in β ladder)trans-91.5113.7170.6-174.469.7000109.2V10 V62 V64 L70 F88 L91 L92 L95 I117L8-V10 HydrophobicContact CD2-CG2 3.89Å; L8-V10 HydrophobicContact CG-CG2 3.9Å; L8-V62 PolarHBondContact N-O 2.9Å; L8-V62 PolarHBondContact O-N 3.21Å; L8-V64 HydrophobicContact CB-CG2 3.59Å; L8-L70 HydrophobicContact CD2-CD1 4.49Å; L8-F88 HydrophobicContact CB-CD1 4.37Å; L8-F88 HydrophobicContact CB-CE1 4.31Å; L8-F88 HydrophobicContact CD2-CD1 3.63Å; L8-F88 HydrophobicContact CD2-CE1 3.87Å; L8-L91 HydrophobicContact CD2-CB 4.49Å; L8-L91 HydrophobicContact CD2-CD1 3.79Å; L8-L92 HydrophobicContact CD1-CD2 4.46Å; L8-L95 HydrophobicContact CD1-CD1 4.12Å; L8-I117 HydrophobicContact CD1-CB 4.12Å
9R90.7Very high78.6Confident34 Ų3468.5 Ų68.513%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-84.9123.6169.4-178.5161.2-66.6-168.84.6109.5C59 D61 I117 K118 M120 W178R9-C59 HydrophobicContact CG-CB 3.77Å; R9-D61 WeakPolarHBondContact CA-OD1 3.4Å; R9-D61 VanDerWaalsContact CB-OD1 3.25Å; R9-D61 WeakPolarHBondContact CB-OD1 3.43Å; R9-D61 VanDerWaalsContact CG-OD1 3.24Å; R9-D61 WeakPolarHBondContact CG-OD1 3.31Å; R9-D61 IonicContact CZ-OD1 2.69Å; R9-D61 IonicContact CZ-OD2 3.54Å; R9-D61 IonicContact NE-OD1 3.55Å; R9-D61 PolarHBondContact NE-OD1 2.95Å; R9-D61 IonicContact NE-OD2 3.44Å; R9-D61 IonicContact NH2-OD1 2.67Å; R9-D61 PolarHBondContact NH2-OD1 2.96Å; R9-D61 IonicContact NH2-OD2 3.45Å; R9-D61 PolarHBondContact NH2-OD2 2.92Å; R9-I117 CarbonylContact O-C 3.49Å; R9-I117 VanDerWaalsContact O-CA 3.29Å; R9-I117 WeakPolarHBondContact O-CA 3.41Å; R9-K118 HydrophobicContact CB-CB 4.4Å; R9-K118 PolarHBondContact N-O 3.15Å; R9-K118 PolarHBondContact O-N 2.76Å; R9-M120 HydrophobicContact CB-CE 3.98Å; R9-W178 VanDerWaalsContact CZ-CE2 3.46Å; R9-W178 VanDerWaalsContact CZ-CZ2 3.49Å
10V91.7Very high77.5Confident6 Ų675.3 Ų75.34%0.03638%0.375CS..EExtended strand (participates in β ladder)trans-118.1135.1-178.1-173.40000109.1L8 F12 C59 F60 L70 V115 Q116 I117L8-V10 HydrophobicContact CD2-CG2 3.89Å; L8-V10 HydrophobicContact CG-CG2 3.9Å; V10-F12 HydrophobicContact CG1-CD1 4.12Å; V10-F12 HydrophobicContact CG1-CE1 3.67Å; V10-F12 HydrophobicContact CG1-CZ 4.44Å; V10-C59 CarbonylContact O-C 3.52Å; V10-C59 WeakPolarHBondContact O-CA 3.46Å; V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 2.82Å; V10-L70 HydrophobicContact CG2-CD1 4.4Å; V10-V115 HydrophobicContact CG1-CG1 3.43Å; V10-V115 VanDerWaalsContact CG1-CG1 3.43Å; V10-Q116 CarbonylContact C-O 3.59Å; V10-I117 HydrophobicContact CG2-CG2 4.43Å
11K93.2Very high76.5Confident12 Ų1279.7 Ų79.75%0.05240%0.395CS..EExtended strand (participates in β ladder)trans-130.7122.5174.3174.9-174173.9-171.70108.7V13 E57 V115 Q116K11-V13 HydrophobicContact CG-CG2 4.5Å; K11-E57 VanDerWaalsContact CE-C 3.5Å; K11-E57 VanDerWaalsContact CE-O 3.22Å; K11-E57 WeakPolarHBondContact CE-O 3.46Å; K11-E57 VanDerWaalsContact CE-OE1 3.24Å; K11-E57 WeakPolarHBondContact CE-OE1 3.44Å; K11-E57 WeakPolarHBondContact CE-OE2 3.23Å; K11-E57 IonicContact NZ-OE1 2.71Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 3.11Å; K11-V115 WeakPolarHBondContact O-CA 3.42Å; K11-Q116 HydrophobicContact CB-CB 4.29Å; K11-Q116 PolarHBondContact N-O 2.82Å; K11-Q116 PolarHBondContact O-N 2.76Å
12F93.2Very high77.5Confident3 Ų376.6 Ų76.61%0.01338%0.377CS..EExtended strand (participates in β ladder)trans-83.9122.3172.8-58.2-31.8000109.2V10 C29 L31 P54 W56 E57 I72 L113 V115V10-F12 HydrophobicContact CG1-CD1 4.12Å; V10-F12 HydrophobicContact CG1-CE1 3.67Å; V10-F12 HydrophobicContact CG1-CZ 4.44Å; F12-C29 HydrophobicContact CD2-CB 3.52Å; F12-C29 HydrophobicContact CE2-CB 3.65Å; F12-L31 HydrophobicContact CZ-CD1 4.41Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; F12-P54 HydrophobicContact CD2-CB 3.95Å; F12-P54 HydrophobicContact CD2-CG 4.24Å; F12-P54 HydrophobicContact CE2-CB 3.96Å; F12-P54 HydrophobicContact CE2-CG 3.72Å; F12-W56 HydrophobicContact CB-CE3 3.81Å; F12-W56 HydrophobicContact CB-CZ3 3.77Å; F12-E57 PolarHBondContact O-N 2.97Å; F12-I72 HydrophobicContact CE1-CD1 4.11Å; F12-I72 HydrophobicContact CE1-CG1 4.47Å; F12-I72 HydrophobicContact CZ-CD1 4.31Å; F12-I72 HydrophobicContact CZ-CG1 4.17Å; F12-I72 HydrophobicContact CZ-CG2 4.13Å; F12-L113 HydrophobicContact CD1-CD2 3.89Å; F12-L113 HydrophobicContact CE1-CD2 4.07Å; F12-L113 HydrophobicContact CG-CD2 4.34Å; F12-V115 HydrophobicContact CD1-CG1 4.07Å; F12-V115 HydrophobicContact CD1-CG2 3.92Å; F12-V115 HydrophobicContact CE1-CG1 4.25Å; F12-V115 HydrophobicContact CE1-CG2 4.2Å
13V92.4Very high78Confident40 Ų4077.6 Ų77.624%0.24239%0.392CS..EExtended strand (participates in β ladder)trans-97-56.7-172176.70000111.1K11 E57 L114 Q116K11-V13 HydrophobicContact CG-CG2 4.5Å; V13-E57 WeakPolarHBondContact CA-OE1 3.36Å; V13-E57 WeakPolarHBondContact CG1-OE1 3.48Å; V13-L114 HydrophobicContact CB-CB 4.16Å; V13-L114 HydrophobicContact CB-CD2 4.13Å; V13-L114 HydrophobicContact CB-CG 4.05Å; V13-L114 WeakPolarHBondContact CB-O 3.48Å; V13-L114 HydrophobicContact CG1-CD2 3.82Å; V13-L114 HydrophobicContact CG1-CG 4.31Å; V13-L114 PolarHBondContact N-O 3.19Å; V13-Q116 HydrophobicContact CG2-CB 4.2Å
14K91.3Very high78.7Confident105 Ų10570.1 Ų70.146%0.45736%0.364SS..EExtended strand (participates in β ladder)trans-159.6154.1177.564.2179.5-173.8172.90111.4L114K14-L114 HydrophobicContact CD-CD2 4.46Å; K14-L114 HydrophobicContact CG-CB 3.85Å; K14-L114 HydrophobicContact CG-CD2 4.12Å; K14-L114 PolarHBondContact O-N 3.36Å
15A92.1Very high79.1Confident22 Ų2271.7 Ų71.718%0.18237%0.368CS..EExtended strand (participates in β ladder)trans-106.9149.4166.800000110.7L27 W56 L74 K112 L113A15-L27 HydrophobicContact CB-CD1 4.32Å; A15-W56 HydrophobicContact CB-CH2 3.83Å; A15-W56 HydrophobicContact CB-CZ2 4.47Å; A15-L74 HydrophobicContact CB-CD1 3.91Å; A15-L74 HydrophobicContact CB-CD2 3.84Å; A15-K112 WeakPolarHBondContact CA-O 3.3Å; A15-L113 HydrophobicContact CB-CD1 4.04Å
16V89.5Confident80Confident66 Ų6674.7 Ų74.740%0.438%0.381SS..EExtended strand (participates in β ladder)trans-128.7113.2170.9-179.20000107W104 G111 K112V16-W104 HydrophobicContact CG2-CH2 4.03Å; V16-W104 HydrophobicContact CG2-CZ3 4.22Å; V16-G111 CarbonylContact O-C 3.48Å; V16-G111 WeakPolarHBondContact O-CA 3.28Å; V16-K112 PolarHBondContact N-O 3.16Å; V16-K112 PolarHBondContact O-N 3.39Å
17L86.8Confident80.3Confident53 Ų5376.1 Ų76.128%0.27739%0.387SS..  trans-84.5142172.2-65.6172.5000109.1C19 P24 L74 I81L17-C19 VanDerWaalsContact C-N 3.34Å; L17-P24 HydrophobicContact CD1-CG 3.56Å; L17-L74 HydrophobicContact CD2-CD2 3.71Å; L17-L74 HydrophobicContact CG-CD2 4.35Å; L17-I81 HydrophobicContact CD1-CD1 3.61Å; L17-I81 HydrophobicContact CD2-CD1 4.02Å; L17-I81 HydrophobicContact CG-CD1 4.41Å
18Q73.8Confident80.5Confident132 Ų13279 Ų7962%0.61740%0.399SS*.  trans-100.121.9178.3-67.6-178.6-3800111.9A110Q18-A110 HydrophobicContact CB-CB 4.48Å
19C65.3Low80.7Confident86 Ų8679.1 Ų79.158%0.58140%0.4SS*.  trans-102141.7178.6-1440000109.8L17 E21L17-C19 VanDerWaalsContact C-N 3.34Å; C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 3.18Å
20E56.7Low80.8Confident205 Ų20577.9 Ų77.996%0.95840%0.397SS*.SBendtrans-80.4-3.3-175.1-64.8-178.4144.200113.3
21E58.2Low81Confident168 Ų16877.6 Ų77.679%0.78540%0.396SS*.SBendtrans-90.2145.4179.3-62.7-173.3132.700111.4C19C19-E21 VanDerWaalsContact C-N 3.25Å; C19-E21 PolarHBondContact O-N 3.18Å
22E62.2Low81Confident174 Ų17477.7 Ų77.781%0.81340%0.397SS*.  trans-19.4132.2-167.9-67.4-177.299.900117.2P24E22-P24 WeakPolarHBondContact O-CD 3.41Å
23T63.2Low81Confident128 Ų12878.2 Ų78.279%0.78540%0.399SS*.  trans-56.7115.1174.653.20000110.1K25T23-K25 PolarHBondContact O-N 3.35Å
24P66.5Low81Confident35 Ų3578.2 Ų78.223%0.22740%0.396CS..  trans-62.5136.1-176.821.4-31.6000110.5L17 E22 L27 D76L17-P24 HydrophobicContact CD1-CG 3.56Å; E22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-L27 HydrophobicContact CB-CD2 3.72Å; P24-L27 HydrophobicContact CB-CG 3.94Å; P24-L27 HydrophobicContact CG-CD1 3.81Å; P24-L27 HydrophobicContact CG-CD2 3.43Å; P24-L27 VanDerWaalsContact CG-CD2 3.43Å; P24-L27 HydrophobicContact CG-CG 3.58Å; P24-D76 HydrophobicContact CB-CB 4.07Å; P24-D76 WeakPolarHBondContact CB-OD2 3.16Å
25K68.8Low81Confident198 Ų19877.1 Ų77.186%0.86139%0.391SS*.SBendtrans-85.4-26.3-169.6-67.4176.3-176.6167.80112.8T23T23-K25 PolarHBondContact O-N 3.35Å
26D83.6Confident80.9Confident76 Ų7682 Ų8241%0.40641%0.405SS..SBendtrans-135.169.3-178.8-170.226.2000111.6Q28 S77D26-Q28 PolarHBondContact O-N 3.36Å; D26-Q28 PolarHBondContact OD1-NE2 2.81Å; D26-Q28 PolarHBondContact OD2-NE2 2.87Å; D26-S77 PolarHBondContact O-N 3.14Å
27L89.8Confident80.9Confident36 Ų3681.3 Ų81.319%0.18840%0.401CS..EExtended strand (participates in β ladder)trans-70.6127.6172.8-73.5-179.1000110.7A15 P24 W56 L74 T75 D76 I81A15-L27 HydrophobicContact CB-CD1 4.32Å; P24-L27 HydrophobicContact CB-CD2 3.72Å; P24-L27 HydrophobicContact CB-CG 3.94Å; P24-L27 HydrophobicContact CG-CD1 3.81Å; P24-L27 HydrophobicContact CG-CD2 3.43Å; P24-L27 VanDerWaalsContact CG-CD2 3.43Å; P24-L27 HydrophobicContact CG-CG 3.58Å; L27-W56 HydrophobicContact CB-CZ2 4.33Å; L27-W56 PolarHBondContact O-NE1 2.96Å; L27-L74 HydrophobicContact CB-CD1 4.44Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; L27-L74 HydrophobicContact CD2-CD2 4.33Å; L27-L74 HydrophobicContact CD2-CG 4.15Å; L27-T75 WeakPolarHBondContact CA-O 3.3Å; L27-D76 HydrophobicContact CD2-CB 4.32Å; L27-I81 HydrophobicContact CD2-CD1 3.66Å
28Q92.2Very high80.8Confident79 Ų7986.3 Ų86.337%0.36942%0.423SS..EExtended strand (participates in β ladder)trans-129.4159.6173.7-59.9-175.1-0.600110.7D26 T75D26-Q28 PolarHBondContact O-N 3.36Å; D26-Q28 PolarHBondContact OD1-NE2 2.81Å; D26-Q28 PolarHBondContact OD2-NE2 2.87Å; Q28-T75 PolarHBondContact N-O 3.11Å; Q28-T75 PolarHBondContact O-N 3.24Å; Q28-T75 PolarHBondContact O-OG1 3.25Å
29C92.9Very high81.3Confident3 Ų384.6 Ų84.62%0.0242%0.415CS..EExtended strand (participates in β ladder)trans-115.5133.1175.1-68.90000110.5F12 P54 W56 L73F12-C29 HydrophobicContact CD2-CB 3.52Å; F12-C29 HydrophobicContact CE2-CB 3.65Å; C29-P54 WeakPolarHBondContact O-CD 3.14Å; C29-W56 WeakPolarHBondContact SG-CH2 3.45Å; C29-W56 WeakPolarHBondContact SG-CZ2 3.23Å; C29-L73 CarbonylContact C-O 3.6Å; C29-L73 VanDerWaalsContact CA-O 3.31Å; C29-L73 WeakPolarHBondContact CA-O 3.34Å
30A94.3Very high82Confident8 Ų887.6 Ų87.67%0.06643%0.425CS..EExtended strand (participates in β ladder)trans-107.9139.8164.300000109.4T51 H52 L73A30-T51 HydrophobicContact CB-CG2 3.8Å; A30-H52 CarbonylContact C-O 3.59Å; A30-H52 WeakPolarHBondContact CA-O 3.47Å; A30-L73 HydrophobicContact CB-CB 4.26Å; A30-L73 HydrophobicContact CB-CD1 4.46Å; A30-L73 PolarHBondContact N-O 2.83Å; A30-L73 PolarHBondContact O-N 3.43Å
31L94.4Very high83.2Confident1 Ų183.4 Ų83.41%0.00542%0.419CS..EExtended strand (participates in β ladder)trans-126116.5-178.5177.567.7000109.9F12 H52 P54 F60 V62 L70 I72F12-L31 HydrophobicContact CZ-CD1 4.41Å; F12-L31 HydrophobicContact CZ-CD2 4.48Å; L31-H52 HydrophobicContact CB-CB 4.27Å; L31-H52 PolarHBondContact N-O 2.8Å; L31-H52 PolarHBondContact O-N 3.26Å; L31-P54 HydrophobicContact CB-CG 4.08Å; L31-P54 HydrophobicContact CD2-CG 4.42Å; L31-F60 HydrophobicContact CD2-CD1 3.56Å; L31-F60 HydrophobicContact CD2-CE1 3.63Å; L31-V62 HydrophobicContact CD2-CG2 4.48Å; L31-L70 HydrophobicContact CD1-CB 4Å; L31-L70 HydrophobicContact CD1-CD2 4.14Å; L31-I72 HydrophobicContact CD1-CG1 3.71Å
32N94.1Very high84.5Confident14 Ų1484 Ų848%0.07541%0.413CS..EExtended strand (participates in β ladder)trans-104.8129.3174.9-70.3-32.6000109.8K34 Q47 T51 H71 L73N32-K34 HydrophobicContact CB-CG 4.45Å; N32-Q47 PolarHBondContact OD1-NE2 2.92Å; N32-Q47 PolarHBondContact OD1-OE1 3.07Å; N32-T51 WeakPolarHBondContact OD1-CA 3.23Å; N32-T51 WeakPolarHBondContact OD1-CB 3.24Å; N32-T51 VanDerWaalsContact OD1-CG2 3.24Å; N32-T51 WeakPolarHBondContact OD1-CG2 3.49Å; N32-T51 PolarHBondContact OD1-OG1 2.8Å; N32-H71 HydrophobicContact CB-CB 4.02Å; N32-H71 PolarHBondContact N-O 2.8Å; N32-H71 PolarHBondContact O-N 3.19Å; N32-L73 VanDerWaalsContact ND2-CD1 3.33Å; N32-L73 WeakPolarHBondContact ND2-CD1 3.39Å
33I93.1Very high85.6Confident14 Ų1479.3 Ų79.37%0.07240%0.397CS..EExtended strand (participates in β ladder)trans-96.2110.6172.1-59.5167000107.2Q48 V62 R68 L70I33-Q48 PolarHBondContact O-N 2.74Å; I33-V62 HydrophobicContact CD1-CG1 3.64Å; I33-V62 HydrophobicContact CD1-CG2 4.28Å; I33-V62 HydrophobicContact CG1-CG1 4.24Å; I33-R68 HydrophobicContact CG2-CB 4.34Å; I33-R68 HydrophobicContact CG2-CG 4.41Å; I33-L70 HydrophobicContact CG1-CD2 4.11Å
34K92.8Very high86.9Confident40 Ų4079.6 Ų79.617%0.17438%0.384CS..EExtended strand (participates in β ladder)trans-107.8138.8-177.8-60.4-175.5171.5175.80110.5N32 L45 V46 Q47 R68 V69 H71N32-K34 HydrophobicContact CB-CG 4.45Å; K34-L45 HydrophobicContact CB-CB 4.13Å; K34-L45 HydrophobicContact CD-CB 4.05Å; K34-V46 CarbonylContact C-O 3.42Å; K34-V46 WeakPolarHBondContact CA-O 3.34Å; K34-Q47 HydrophobicContact CG-CB 4.32Å; K34-R68 CarbonylContact O-C 3.39Å; K34-R68 VanDerWaalsContact O-CA 3.23Å; K34-R68 WeakPolarHBondContact O-CA 3.45Å; K34-V69 HydrophobicContact CB-CG2 3.87Å; K34-V69 PolarHBondContact N-O 3.39Å; K34-V69 PolarHBondContact O-N 3.08Å; K34-H71 HydrophobicContact CD-CB 4.05Å; K34-H71 VanDerWaalsContact CE-ND1 3.31Å; K34-H71 WeakPolarHBondContact CE-ND1 3.49Å; K34-H71 HydrophobicContact CG-CB 4.4Å; K34-H71 PolarHBondContact NZ-CE1 2.83Å; K34-H71 PolarHBondContact NZ-ND1 2.86Å
35K91.6Very high88Confident81 Ų8181 Ų8135%0.35239%0.389SS..EExtended strand (participates in β ladder)trans-95.1136.8171.6173.6171.8179.1-179.50109.6V37 L45 V46 Q48 E67K35-V37 HydrophobicContact CG-CG2 4.18Å; K35-L45 WeakPolarHBondContact O-CA 3.45Å; K35-V46 PolarHBondContact N-O 2.88Å; K35-V46 PolarHBondContact O-N 3.01Å; K35-Q48 HydrophobicContact CB-CG 3.56Å; K35-E67 CarbonylContact C-O 3.58Å; K35-E67 WeakPolarHBondContact CA-O 3.49Å; K35-E67 HydrophobicContact CD-CG 4.13Å; K35-E67 HydrophobicContact CG-CG 3.94Å
36R88.5Confident89Confident125 Ų12574.7 Ų74.747%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-75.1121.3169.5-169.7-177.7-69.1-106.6-0.6109.1V43 L45 E67R36-V43 HydrophobicContact CG-CG1 3.27Å; R36-L45 HydrophobicContact CB-CD2 4.17Å; R36-L45 HydrophobicContact CG-CD2 4.49Å; R36-E67 PolarHBondContact N-O 2.78Å
37V89.1Confident89.3Confident52 Ų5274.6 Ų74.632%0.31536%0.364SS..EExtended strand (participates in β ladder)trans-122.1130.1178.5-177.90000108K35 R44 V46K35-V37 HydrophobicContact CG-CG2 4.18Å; V37-R44 PolarHBondContact N-O 3.17Å; V37-R44 PolarHBondContact O-N 2.87Å; V37-V46 HydrophobicContact CB-CG2 4.16Å; V37-V46 HydrophobicContact CG2-CB 4.15Å; V37-V46 HydrophobicContact CG2-CG2 3.74Å
38Q86.7Confident88.9Confident157 Ų15776.9 Ų76.973%0.73437%0.373SS*.EExtended strand (participates in β ladder)trans-100.1123.3176.5-173.4171.3-2.400108.8
39E83.9Confident88.6Confident96 Ų9676 Ų7645%0.44939%0.385SS..EExtended strand (participates in β ladder)trans-136.7118.9-177.4-173.8-177.5-15500107.6S41 R42 R44E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.86Å; E39-S41 VanDerWaalsContact O-N 3.15Å; E39-R42 PolarHBondContact N-O 3.06Å; E39-R42 WeakPolarHBondContact O-CA 3.1Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-O 3.07Å; E39-R44 IonicContact OE2-CZ 3.95Å; E39-R44 IonicContact OE2-NH1 2.74Å; E39-R44 PolarHBondContact OE2-NH1 2.71Å
40D80.3Confident88.6Confident149 Ų14985.3 Ų85.380%0.79742%0.42SS*.THydrogen-bonded Turntrans45.249.8175-58-34.8000115.1R42D40-R42 PolarHBondContact O-N 3.3Å
41S81.1Confident88.5Confident118 Ų11887.4 Ų87.483%0.82543%0.432SS*.THydrogen-bonded Turntrans70.50.7-176.7-46.60000116.5E39E39-S41 VanDerWaalsContact C-N 3.34Å; E39-S41 PolarHBondContact O-N 2.86Å; E39-S41 VanDerWaalsContact O-N 3.15Å
42R84.9Confident88.4Confident179 Ų17989.3 Ų89.368%0.67544%0.441SS*.EExtended strand (participates in β ladder)trans-102.4139.1171.8-65.5-177.3177.8-174.1-0.1110.4E39 D40E39-R42 PolarHBondContact N-O 3.06Å; E39-R42 WeakPolarHBondContact O-CA 3.1Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-O 3.07Å; D40-R42 PolarHBondContact O-N 3.3Å
43V85.3Confident88.3Confident77 Ų7795 Ų9547%0.46747%0.467SS..EExtended strand (participates in β ladder)trans-98.1123172.71780000108.8R36R36-V43 HydrophobicContact CG-CG1 3.27Å
44R89.9Confident88.2Confident134 Ų13495.2 Ų95.251%0.50647%0.469SS..EExtended strand (participates in β ladder)trans-115.6149.2177-73.3176.5158.9175.4-8.7110.4V37 E39V37-R44 PolarHBondContact N-O 3.17Å; V37-R44 PolarHBondContact O-N 2.87Å; E39-R44 IonicContact OE2-CZ 3.95Å; E39-R44 IonicContact OE2-NH1 2.74Å; E39-R44 PolarHBondContact OE2-NH1 2.71Å
45L89.9Confident88.1Confident64 Ų6497 Ų9734%0.33548%0.483SS..EExtended strand (participates in β ladder)trans-102.8112.9172.3-66.7-180000108.9K34 K35 R36 V69 L85K34-L45 HydrophobicContact CB-CB 4.13Å; K34-L45 HydrophobicContact CD-CB 4.05Å; K35-L45 WeakPolarHBondContact O-CA 3.45Å; R36-L45 HydrophobicContact CB-CD2 4.17Å; R36-L45 HydrophobicContact CG-CD2 4.49Å; L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; L45-L85 HydrophobicContact CD1-CD1 4.15Å; L45-L85 HydrophobicContact CD1-CD2 4.1Å
46V91.1Very high88.1Confident65 Ų6596.4 Ų96.439%0.39448%0.479SS..EExtended strand (participates in β ladder)trans-102.1123.5179.8-177.80000108.7K34 K35 V37 Q48K34-V46 CarbonylContact C-O 3.42Å; K34-V46 WeakPolarHBondContact CA-O 3.34Å; K35-V46 PolarHBondContact N-O 2.88Å; K35-V46 PolarHBondContact O-N 3.01Å; V37-V46 HydrophobicContact CB-CG2 4.16Å; V37-V46 HydrophobicContact CG2-CB 4.15Å; V37-V46 HydrophobicContact CG2-CG2 3.74Å; V46-Q48 PolarHBondContact O-N 2.68Å
47Q88.9Confident88Confident74 Ų7494.3 Ų94.335%0.34647%0.474SS..EExtended strand (participates in β ladder)trans-63.8127.3174.9178.9166.8-31.500110.2N32 K34 G49 T51N32-Q47 PolarHBondContact OD1-NE2 2.92Å; N32-Q47 PolarHBondContact OD1-OE1 3.07Å; K34-Q47 HydrophobicContact CG-CB 4.32Å; Q47-G49 PolarHBondContact NE2-O 2.72Å; Q47-G49 VanDerWaalsContact NE2-O 3.17Å; Q47-T51 PolarHBondContact NE2-OG1 3.44Å
48Q81.5Confident88Confident84 Ų8499.9 Ų99.939%0.39349%0.49SS..  trans-106.6108.8179.1-70.9-71.5-36.800108.4I33 K35 V46I33-Q48 PolarHBondContact O-N 2.74Å; K35-Q48 HydrophobicContact CB-CG 3.56Å; V46-Q48 PolarHBondContact O-N 2.68Å
49G86.4Confident88.1Confident60 Ų6095.1 Ų95.162%0.61947%0.473SS*.SBendtrans79.4-167.3179.700000114.2Q47Q47-G49 PolarHBondContact NE2-O 2.72Å; Q47-G49 VanDerWaalsContact NE2-O 3.17Å
50R92Very high88.3Confident200 Ų20092.8 Ų92.876%0.75546%0.462SS*.PPolyproline II helixtrans-73.5154.2-175.267.7179.9179.4-175.6-0.5112.6H52R50-H52 PolarHBondContact O-CD2 3.12Å
51T92.9Very high88.8Confident51 Ų5188.9 Ų88.931%0.31344%0.441SS..PPolyproline II helixtrans-64.5131.4164.4-52.20000109.5A30 N32 Q47A30-T51 HydrophobicContact CB-CG2 3.8Å; N32-T51 WeakPolarHBondContact OD1-CA 3.23Å; N32-T51 WeakPolarHBondContact OD1-CB 3.24Å; N32-T51 VanDerWaalsContact OD1-CG2 3.24Å; N32-T51 WeakPolarHBondContact OD1-CG2 3.49Å; N32-T51 PolarHBondContact OD1-OG1 2.8Å; Q47-T51 PolarHBondContact NE2-OG1 3.44Å
52H92.3Very high89.2Confident41 Ų4183.4 Ų83.419%0.1940%0.403CS..BIsolated β-bridgetrans-93.7145.3172.6-64.8-84.3000109.6A30 L31 R50 P54 F60A30-H52 CarbonylContact C-O 3.59Å; A30-H52 WeakPolarHBondContact CA-O 3.47Å; L31-H52 HydrophobicContact CB-CB 4.27Å; L31-H52 PolarHBondContact N-O 2.8Å; L31-H52 PolarHBondContact O-N 3.26Å; R50-H52 PolarHBondContact O-CD2 3.12Å; H52-P54 VanDerWaalsContact C-CD 3.49Å; H52-P54 WeakPolarHBondContact O-CD 3.36Å; H52-F60 HydrophobicContact CB-CE1 4.31Å; H52-F60 HydrophobicContact CB-CE2 4.22Å; H52-F60 HydrophobicContact CB-CZ 3.93Å; H52-F60 AromaticContact CD2-CZ 3.63Å; H52-F60 AromaticContact CE1-CE2 3.84Å; H52-F60 AromaticContact CE1-CZ 3.42Å; H52-F60 VanDerWaalsContact CE1-CZ 3.42Å; H52-F60 WeakPolarHBondContact CE1-CZ 3.49Å; H52-F60 AromaticContact CG-CE2 3.8Å; H52-F60 AromaticContact CG-CZ 3.32Å; H52-F60 AromaticContact ND1-CE2 3.35Å; H52-F60 WeakPolarHBondContact ND1-CE2 3.14Å; H52-F60 AromaticContact ND1-CZ 3.2Å; H52-F60 WeakPolarHBondContact ND1-CZ 3.25Å; H52-F60 AromaticContact NE2-CZ 3.68Å
53H92.5Very high89.4Confident134 Ų13479.6 Ų79.662%0.6239%0.388SS*.  trans-119.677.8175.3-60.195.5000109.2T55H53-T55 PolarHBondContact O-N 2.81Å
54P91Very high89.4Confident18 Ų1876.6 Ų76.612%0.11737%0.37CS..PPolyproline II helixtrans-64.7130.5-179.6-20.434.8000110.7F12 C29 L31 H52 F60F12-P54 HydrophobicContact CD2-CB 3.95Å; F12-P54 HydrophobicContact CD2-CG 4.24Å; F12-P54 HydrophobicContact CE2-CB 3.96Å; F12-P54 HydrophobicContact CE2-CG 3.72Å; C29-P54 WeakPolarHBondContact O-CD 3.14Å; L31-P54 HydrophobicContact CB-CG 4.08Å; L31-P54 HydrophobicContact CD2-CG 4.42Å; H52-P54 VanDerWaalsContact C-CD 3.49Å; H52-P54 WeakPolarHBondContact O-CD 3.36Å; P54-F60 HydrophobicContact CB-CB 4.42Å; P54-F60 HydrophobicContact CG-CB 4.43Å; P54-F60 HydrophobicContact CG-CG 4.41Å
55T90.4Very high89.1Confident78 Ų7874.2 Ų74.248%0.47936%0.361SS..PPolyproline II helixtrans-69.8141.9169.9-40.60000109.9H53 R58H53-T55 PolarHBondContact O-N 2.81Å; T55-R58 HydrophobicContact CG2-CG 4.38Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T55-R58 PolarHBondContact O-N 3.44Å; T55-R58 VanDerWaalsContact O-N 3.11Å
56W90.6Very high88.6Confident68 Ų6874.8 Ų74.826%0.25837%0.368SS..THydrogen-bonded Turntrans-49.3143.7168.7-65.3107.6000111.7F12 A15 L27 C29 R58 L74 L113F12-W56 HydrophobicContact CB-CE3 3.81Å; F12-W56 HydrophobicContact CB-CZ3 3.77Å; A15-W56 HydrophobicContact CB-CH2 3.83Å; A15-W56 HydrophobicContact CB-CZ2 4.47Å; L27-W56 HydrophobicContact CB-CZ2 4.33Å; L27-W56 PolarHBondContact O-NE1 2.96Å; C29-W56 WeakPolarHBondContact SG-CH2 3.45Å; C29-W56 WeakPolarHBondContact SG-CZ2 3.23Å; W56-R58 PolarHBondContact O-N 2.86Å; W56-L74 HydrophobicContact CH2-CD1 4.19Å; W56-L74 HydrophobicContact CZ2-CD1 4Å; W56-L113 HydrophobicContact CH2-CD1 3.44Å; W56-L113 VanDerWaalsContact CH2-CD1 3.44Å; W56-L113 HydrophobicContact CZ3-CD1 3.53Å
57E87.8Confident88.3Confident81 Ų8174.6 Ų74.638%0.37936%0.363SS..THydrogen-bonded Turntrans60.27.3-179.4-66.4-70.2105.200115.3K11 F12 V13K11-E57 VanDerWaalsContact CE-C 3.5Å; K11-E57 VanDerWaalsContact CE-O 3.22Å; K11-E57 WeakPolarHBondContact CE-O 3.46Å; K11-E57 VanDerWaalsContact CE-OE1 3.24Å; K11-E57 WeakPolarHBondContact CE-OE1 3.44Å; K11-E57 WeakPolarHBondContact CE-OE2 3.23Å; K11-E57 IonicContact NZ-OE1 2.71Å; K11-E57 IonicContact NZ-OE2 2.71Å; K11-E57 PolarHBondContact NZ-OE2 3.11Å; F12-E57 PolarHBondContact O-N 2.97Å; V13-E57 WeakPolarHBondContact CA-OE1 3.36Å; V13-E57 WeakPolarHBondContact CG1-OE1 3.48Å
58R89.6Confident88.3Confident170 Ų17073.6 Ų73.664%0.64236%0.356SS*.  trans-103.5146.1173.1-62.6-163.1176.3-174.6-2.3111.6T55 W56T55-R58 HydrophobicContact CG2-CG 4.38Å; T55-R58 WeakPolarHBondContact O-CB 3.34Å; T55-R58 PolarHBondContact O-N 3.44Å; T55-R58 VanDerWaalsContact O-N 3.11Å; W56-R58 PolarHBondContact O-N 2.86Å
59C88.1Confident88.8Confident57 Ų5770 Ų7039%0.38534%0.34SS..EExtended strand (participates in β ladder)trans-83.6140.6177.7-65.80000110.4R9 V10R9-C59 HydrophobicContact CG-CB 3.77Å; V10-C59 CarbonylContact O-C 3.52Å; V10-C59 WeakPolarHBondContact O-CA 3.46Å
60F88.1Confident89.2Confident46 Ų4667.3 Ų67.320%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-128.6129.6172.8-178.6-106.2000108.8V10 L31 H52 P54 V62V10-F60 PolarHBondContact N-O 2.84Å; V10-F60 PolarHBondContact O-N 2.82Å; L31-F60 HydrophobicContact CD2-CD1 3.56Å; L31-F60 HydrophobicContact CD2-CE1 3.63Å; H52-F60 HydrophobicContact CB-CE1 4.31Å; H52-F60 HydrophobicContact CB-CE2 4.22Å; H52-F60 HydrophobicContact CB-CZ 3.93Å; H52-F60 AromaticContact CD2-CZ 3.63Å; H52-F60 AromaticContact CE1-CE2 3.84Å; H52-F60 AromaticContact CE1-CZ 3.42Å; H52-F60 VanDerWaalsContact CE1-CZ 3.42Å; H52-F60 WeakPolarHBondContact CE1-CZ 3.49Å; H52-F60 AromaticContact CG-CE2 3.8Å; H52-F60 AromaticContact CG-CZ 3.32Å; H52-F60 AromaticContact ND1-CE2 3.35Å; H52-F60 WeakPolarHBondContact ND1-CE2 3.14Å; H52-F60 AromaticContact ND1-CZ 3.2Å; H52-F60 WeakPolarHBondContact ND1-CZ 3.25Å; H52-F60 AromaticContact NE2-CZ 3.68Å; P54-F60 HydrophobicContact CB-CB 4.42Å; P54-F60 HydrophobicContact CG-CB 4.43Å; P54-F60 HydrophobicContact CG-CG 4.41Å; F60-V62 HydrophobicContact CD1-CG2 3.53Å; F60-V62 HydrophobicContact CE1-CG2 3.35Å; F60-V62 HydrophobicContact CZ-CG2 4.42Å
61D91Very high89.3Confident68 Ų6858.6 Ų58.636%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-99.7129.2-175.2-74.8-12000110.5V7 R9V7-D61 HydrophobicContact CG1-CB 3.73Å; R9-D61 WeakPolarHBondContact CA-OD1 3.4Å; R9-D61 VanDerWaalsContact CB-OD1 3.25Å; R9-D61 WeakPolarHBondContact CB-OD1 3.43Å; R9-D61 VanDerWaalsContact CG-OD1 3.24Å; R9-D61 WeakPolarHBondContact CG-OD1 3.31Å; R9-D61 IonicContact CZ-OD1 2.69Å; R9-D61 IonicContact CZ-OD2 3.54Å; R9-D61 IonicContact NE-OD1 3.55Å; R9-D61 PolarHBondContact NE-OD1 2.95Å; R9-D61 IonicContact NE-OD2 3.44Å; R9-D61 IonicContact NH2-OD1 2.67Å; R9-D61 PolarHBondContact NH2-OD1 2.96Å; R9-D61 IonicContact NH2-OD2 3.45Å; R9-D61 PolarHBondContact NH2-OD2 2.92Å
62V88.6Confident89.4Confident3 Ų356.4 Ų56.42%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-125.6125.3178.6-170.60000109.7L8 L31 I33 F60 V64 L70 F88L8-V62 PolarHBondContact N-O 2.9Å; L8-V62 PolarHBondContact O-N 3.21Å; L31-V62 HydrophobicContact CD2-CG2 4.48Å; I33-V62 HydrophobicContact CD1-CG1 3.64Å; I33-V62 HydrophobicContact CD1-CG2 4.28Å; I33-V62 HydrophobicContact CG1-CG1 4.24Å; F60-V62 HydrophobicContact CD1-CG2 3.53Å; F60-V62 HydrophobicContact CE1-CG2 3.35Å; F60-V62 HydrophobicContact CZ-CG2 4.42Å; V62-V64 PolarHBondContact O-N 2.93Å; V62-L70 HydrophobicContact CG1-CD2 4.19Å; V62-L70 HydrophobicContact CG2-CD2 4.38Å; V62-F88 HydrophobicContact CB-CE1 4.27Å; V62-F88 HydrophobicContact CB-CZ 4.4Å; V62-F88 HydrophobicContact CG1-CE1 3.95Å; V62-F88 HydrophobicContact CG1-CZ 3.61Å
63R88.7Confident89.5Confident98 Ų9856 Ų5637%0.3727%0.265SS..EExtended strand (participates in β ladder)trans-66.7121.6171.9-167177.6-174.7103.35.6109.6R65 E122R63-R65 PolarHBondContact O-N 3.33Å; R63-E122 IonicContact CZ-OE1 2.87Å; R63-E122 IonicContact CZ-OE2 3.65Å; R63-E122 IonicContact NH1-OE1 3.68Å; R63-E122 PolarHBondContact NH1-OE1 3.19Å; R63-E122 IonicContact NH1-OE2 3.61Å; R63-E122 PolarHBondContact NH1-OE2 3.34Å; R63-E122 IonicContact NH2-OE1 3.8Å; R63-E122 IonicContact NH2-OE2 2.84Å; R63-E122 PolarHBondContact NH2-OE2 3.17Å
64V85.3Confident89.6Confident15 Ų1549.6 Ų49.69%0.09124%0.235CC..  trans-70.8125.2178.5-178.80000108.7G6 L8 V62 F88 L92G6-V64 WeakPolarHBondContact O-CB 3.3Å; G6-V64 PolarHBondContact O-N 2.84Å; L8-V64 HydrophobicContact CB-CG2 3.59Å; V62-V64 PolarHBondContact O-N 2.93Å; V64-F88 HydrophobicContact CB-CD1 4.46Å; V64-F88 HydrophobicContact CG1-CB 4.07Å; V64-F88 HydrophobicContact CG1-CD1 4.25Å; V64-F88 HydrophobicContact CG1-CG 4.17Å; V64-F88 HydrophobicContact CG2-CD1 4Å; V64-F88 HydrophobicContact CG2-CE1 4.39Å; V64-L92 HydrophobicContact CG1-CD1 4.1Å
65R84.1Confident89.7Confident84 Ų8449.5 Ų49.532%0.31723%0.234SC..  trans-137.4136.1166.4-62.6-165.3174.484.8-8.2109.1R63 E67 R68R63-R65 PolarHBondContact O-N 3.33Å; R65-E67 VanDerWaalsContact CB-OE1 3.3Å; R65-E67 WeakPolarHBondContact CB-OE1 3.27Å; R65-E67 WeakPolarHBondContact CB-OE2 3.39Å; R65-E67 WeakPolarHBondContact CD-OE1 3.29Å; R65-E67 PolarHBondContact O-N 2.89Å; R65-R68 HydrophobicContact CB-CG 4.08Å; R65-R68 PolarHBondContact O-N 2.81Å; R65-R68 VanDerWaalsContact O-N 3.11Å
66P79.9Confident89.6Confident75 Ų7548 Ų4849%0.48722%0.224SC..THydrogen-bonded Turntrans-60.9-31.3-173.223.9-33.4000112.7R68P66-R68 PolarHBondContact O-N 2.85Å
67E84.6Confident89.5Confident62 Ų6248.8 Ų48.829%0.2924%0.239SC..THydrogen-bonded Turntrans-79.94.3-18077.3-70.5167.400114.6K35 R36 R65K35-E67 CarbonylContact C-O 3.58Å; K35-E67 WeakPolarHBondContact CA-O 3.49Å; K35-E67 HydrophobicContact CD-CG 4.13Å; K35-E67 HydrophobicContact CG-CG 3.94Å; R36-E67 PolarHBondContact N-O 2.78Å; R65-E67 VanDerWaalsContact CB-OE1 3.3Å; R65-E67 WeakPolarHBondContact CB-OE1 3.27Å; R65-E67 WeakPolarHBondContact CB-OE2 3.39Å; R65-E67 WeakPolarHBondContact CD-OE1 3.29Å; R65-E67 PolarHBondContact O-N 2.89Å
68R89.6Confident89.3Confident52 Ų5253 Ų5320%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-109.2151.7-177.2-64.1-177.9-176.1-150.3-6.3112.3I33 K34 R65 P66 F88I33-R68 HydrophobicContact CG2-CB 4.34Å; I33-R68 HydrophobicContact CG2-CG 4.41Å; K34-R68 CarbonylContact O-C 3.39Å; K34-R68 VanDerWaalsContact O-CA 3.23Å; K34-R68 WeakPolarHBondContact O-CA 3.45Å; R65-R68 HydrophobicContact CB-CG 4.08Å; R65-R68 PolarHBondContact O-N 2.81Å; R65-R68 VanDerWaalsContact O-N 3.11Å; P66-R68 PolarHBondContact O-N 2.85Å; R68-F88 HydrophobicContact CB-CD2 4.25Å; R68-F88 HydrophobicContact CB-CE2 3.65Å; R68-F88 VanDerWaalsContact O-CD2 3.24Å; R68-F88 WeakPolarHBondContact O-CD2 3.35Å
69V92.2Very high89.2Confident10 Ų1053.9 Ų53.96%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-129.9148.5171.8-57.90000109.8K34 L45 L85 R87K34-V69 HydrophobicContact CB-CG2 3.87Å; K34-V69 PolarHBondContact N-O 3.39Å; K34-V69 PolarHBondContact O-N 3.08Å; L45-V69 HydrophobicContact CD1-CG2 3.95Å; L45-V69 HydrophobicContact CD2-CG2 3.86Å; V69-L85 HydrophobicContact CG2-CD2 4.44Å; V69-R87 HydrophobicContact CG1-CG 4.12Å
70L93.2Very high89.3Confident2 Ų255 Ų551%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-90.9115.1171.9-62.2-178.3000108.2L8 V10 L31 I33 V62 V86 F88 L91L8-L70 HydrophobicContact CD2-CD1 4.49Å; V10-L70 HydrophobicContact CG2-CD1 4.4Å; L31-L70 HydrophobicContact CD1-CB 4Å; L31-L70 HydrophobicContact CD1-CD2 4.14Å; I33-L70 HydrophobicContact CG1-CD2 4.11Å; V62-L70 HydrophobicContact CG1-CD2 4.19Å; V62-L70 HydrophobicContact CG2-CD2 4.38Å; L70-V86 HydrophobicContact CB-CB 4.44Å; L70-V86 PolarHBondContact N-O 2.79Å; L70-V86 PolarHBondContact O-N 3.37Å; L70-F88 HydrophobicContact CD1-CE1 4.06Å; L70-F88 HydrophobicContact CD1-CZ 4.27Å; L70-F88 HydrophobicContact CD2-CE1 4.03Å; L70-F88 HydrophobicContact CD2-CE2 4.17Å; L70-F88 HydrophobicContact CD2-CZ 3.47Å; L70-F88 VanDerWaalsContact CD2-CZ 3.47Å; L70-F88 HydrophobicContact CG-CE1 4.03Å; L70-F88 HydrophobicContact CG-CE2 4.2Å; L70-F88 HydrophobicContact CG-CZ 3.73Å; L70-L91 HydrophobicContact CD1-CD1 3.97Å
71H95.1Very high89.5Confident17 Ų1755.3 Ų55.38%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-99.9104.9170.5-177.8-152.2000108.4N32 K34 D83 A84 L85N32-H71 HydrophobicContact CB-CB 4.02Å; N32-H71 PolarHBondContact N-O 2.8Å; N32-H71 PolarHBondContact O-N 3.19Å; K34-H71 HydrophobicContact CD-CB 4.05Å; K34-H71 VanDerWaalsContact CE-ND1 3.31Å; K34-H71 WeakPolarHBondContact CE-ND1 3.49Å; K34-H71 HydrophobicContact CG-CB 4.4Å; K34-H71 PolarHBondContact NZ-CE1 2.83Å; K34-H71 PolarHBondContact NZ-ND1 2.86Å; H71-D83 IonicContact CD2-OD2 2.7Å; H71-D83 IonicContact CE1-OD2 3.39Å; H71-D83 IonicContact NE2-OD2 3.5Å; H71-D83 PolarHBondContact NE2-OD2 2.82Å; H71-A84 CarbonylContact C-O 3.55Å; H71-A84 WeakPolarHBondContact CA-O 3.4Å; H71-A84 PolarHBondContact CD2-O 2.81Å; H71-L85 HydrophobicContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CD2-CD2 3.46Å; H71-L85 WeakPolarHBondContact CD2-CD2 3.25Å
72I95.3Very high89.6Confident5 Ų552.3 Ų52.33%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-95.8127.6-178.2-57.7165.3000107.7F12 L31 D83 A84 V86 V105 L113F12-I72 HydrophobicContact CE1-CD1 4.11Å; F12-I72 HydrophobicContact CE1-CG1 4.47Å; F12-I72 HydrophobicContact CZ-CD1 4.31Å; F12-I72 HydrophobicContact CZ-CG1 4.17Å; F12-I72 HydrophobicContact CZ-CG2 4.13Å; L31-I72 HydrophobicContact CD1-CG1 3.71Å; I72-D83 CarbonylContact O-C 3.53Å; I72-D83 WeakPolarHBondContact O-CA 3.46Å; I72-D83 WeakPolarHBondContact O-CB 3.24Å; I72-A84 PolarHBondContact N-O 2.93Å; I72-A84 PolarHBondContact O-N 2.73Å; I72-V86 HydrophobicContact CD1-CG2 4.15Å; I72-V105 HydrophobicContact CD1-CG1 4.49Å; I72-L113 HydrophobicContact CD1-CD2 4.36Å; I72-L113 HydrophobicContact CG2-CD2 3.7Å
73L94.4Very high89.9Confident32 Ų3255 Ų5517%0.16827%0.271CS..EExtended strand (participates in β ladder)trans-114.2132.2172.3-59.391.4000108.6C29 A30 N32 P80 D83C29-L73 CarbonylContact C-O 3.6Å; C29-L73 VanDerWaalsContact CA-O 3.31Å; C29-L73 WeakPolarHBondContact CA-O 3.34Å; A30-L73 HydrophobicContact CB-CB 4.26Å; A30-L73 HydrophobicContact CB-CD1 4.46Å; A30-L73 PolarHBondContact N-O 2.83Å; A30-L73 PolarHBondContact O-N 3.43Å; N32-L73 VanDerWaalsContact ND2-CD1 3.33Å; N32-L73 WeakPolarHBondContact ND2-CD1 3.39Å; L73-P80 HydrophobicContact CD2-CB 4.36Å; L73-D83 HydrophobicContact CG-CB 4.29Å
74L94.3Very high90.1Very high1 Ų150.7 Ų50.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-96.5124.6167-173.268.5000107.6A15 L17 L27 W56 I81 A82 L107A15-L74 HydrophobicContact CB-CD1 3.91Å; A15-L74 HydrophobicContact CB-CD2 3.84Å; L17-L74 HydrophobicContact CD2-CD2 3.71Å; L17-L74 HydrophobicContact CG-CD2 4.35Å; L27-L74 HydrophobicContact CB-CD1 4.44Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; L27-L74 HydrophobicContact CD2-CD2 4.33Å; L27-L74 HydrophobicContact CD2-CG 4.15Å; W56-L74 HydrophobicContact CH2-CD1 4.19Å; W56-L74 HydrophobicContact CZ2-CD1 4Å; L74-I81 HydrophobicContact CB-CG1 4.33Å; L74-I81 HydrophobicContact CD2-CD1 3.94Å; L74-I81 HydrophobicContact CD2-CG1 4.3Å; L74-I81 HydrophobicContact CG-CD1 4.05Å; L74-I81 HydrophobicContact CG-CG1 4.1Å; L74-I81 VanDerWaalsContact O-CG1 3.22Å; L74-I81 WeakPolarHBondContact O-CG1 3.26Å; L74-I81 PolarHBondContact O-N 2.84Å; L74-A82 HydrophobicContact CB-CB 4.46Å; L74-A82 PolarHBondContact N-O 2.81Å; L74-A82 PolarHBondContact O-N 3.48Å; L74-L107 HydrophobicContact CB-CD1 4.15Å; L74-L107 HydrophobicContact CD2-CD1 3.71Å
75T91.8Very high90.5Very high16 Ų1654.9 Ų54.910%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-118.7142.9-178.756.80000110.1L27 Q28 R79 P80L27-T75 WeakPolarHBondContact CA-O 3.3Å; Q28-T75 PolarHBondContact N-O 3.11Å; Q28-T75 PolarHBondContact O-N 3.24Å; Q28-T75 PolarHBondContact O-OG1 3.25Å; T75-R79 CarbonylContact C-O 3.57Å; T75-R79 WeakPolarHBondContact CA-O 3.15Å; T75-P80 HydrophobicContact CG2-CB 4.37Å
76D89.8Confident90.9Very high47 Ų4751.5 Ų51.525%0.25127%0.266SS..EExtended strand (participates in β ladder)trans-113.3120165.3177.221.6000107.9P24 L27 E78 R79 I81P24-D76 HydrophobicContact CB-CB 4.07Å; P24-D76 WeakPolarHBondContact CB-OD2 3.16Å; L27-D76 HydrophobicContact CD2-CB 4.32Å; D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.36Å; D76-R79 PolarHBondContact N-O 2.85Å; D76-R79 WeakPolarHBondContact O-CB 3.42Å; D76-R79 PolarHBondContact O-N 2.85Å; D76-I81 HydrophobicContact CB-CD1 4.23Å; D76-I81 HydrophobicContact CB-CG2 3.95Å
77S87Confident91.3Very high83 Ų8353.4 Ų53.458%0.5826%0.264SS*.THydrogen-bonded Turntrans5049.6-179.1-51.90000112.6D26 R79D26-S77 PolarHBondContact O-N 3.14Å; S77-R79 PolarHBondContact O-N 2.92Å
78E84.2Confident91.4Very high170 Ų17050.8 Ų50.879%0.79425%0.251SS*.THydrogen-bonded Turntrans65.9-6-175.2-53.6-172.3168.300116.7D76D76-E78 VanDerWaalsContact C-N 3.3Å; D76-E78 PolarHBondContact O-N 3.36Å
79R88.3Confident91.1Very high188 Ų18853 Ų5371%0.70926%0.264SS*.EExtended strand (participates in β ladder)trans-84.5122.8174.5-174.8-177.9176.9-156.3-0.6110.2T75 D76 S77 I81T75-R79 CarbonylContact C-O 3.57Å; T75-R79 WeakPolarHBondContact CA-O 3.15Å; D76-R79 PolarHBondContact N-O 2.85Å; D76-R79 WeakPolarHBondContact O-CB 3.42Å; D76-R79 PolarHBondContact O-N 2.85Å; S77-R79 PolarHBondContact O-N 2.92Å; R79-I81 PolarHBondContact O-N 2.84Å
80P89.6Confident90.8Very high81 Ų8155.2 Ų55.253%0.52628%0.276SS..EExtended strand (participates in β ladder)trans-66.5125173.627.5-32.8000110.3L73 T75L73-P80 HydrophobicContact CD2-CB 4.36Å; T75-P80 HydrophobicContact CG2-CB 4.37Å
81I91.6Very high90.5Very high52 Ų5255.7 Ų55.727%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-109.5-29.7-179.455.8165.9000112.4L17 L27 L74 D76 R79L17-I81 HydrophobicContact CD1-CD1 3.61Å; L17-I81 HydrophobicContact CD2-CD1 4.02Å; L17-I81 HydrophobicContact CG-CD1 4.41Å; L27-I81 HydrophobicContact CD2-CD1 3.66Å; L74-I81 HydrophobicContact CB-CG1 4.33Å; L74-I81 HydrophobicContact CD2-CD1 3.94Å; L74-I81 HydrophobicContact CD2-CG1 4.3Å; L74-I81 HydrophobicContact CG-CD1 4.05Å; L74-I81 HydrophobicContact CG-CG1 4.1Å; L74-I81 VanDerWaalsContact O-CG1 3.22Å; L74-I81 WeakPolarHBondContact O-CG1 3.26Å; L74-I81 PolarHBondContact O-N 2.84Å; D76-I81 HydrophobicContact CB-CD1 4.23Å; D76-I81 HydrophobicContact CB-CG2 3.95Å; R79-I81 PolarHBondContact O-N 2.84Å
82A93.3Very high89.9Confident6 Ų655.9 Ų55.95%0.0528%0.279CS..EExtended strand (participates in β ladder)trans-156.6155.6177.700000111.2L74 L107 Q108L74-A82 HydrophobicContact CB-CB 4.46Å; L74-A82 PolarHBondContact N-O 2.81Å; L74-A82 PolarHBondContact O-N 3.48Å; A82-L107 HydrophobicContact CB-CB 3.88Å; A82-L107 HydrophobicContact CB-CD1 4.3Å; A82-Q108 CarbonylContact C-O 3.54Å; A82-Q108 WeakPolarHBondContact CA-O 3.36Å; A82-Q108 VanDerWaalsContact CB-O 3.3Å; A82-Q108 WeakPolarHBondContact CB-O 3.42Å
83D94.5Very high89.3Confident59 Ų5960.1 Ų60.132%0.31630%0.302SS..EExtended strand (participates in β ladder)trans-143.7166.6179.279-37.2000113.6H71 I72 L73 L107 Q108H71-D83 IonicContact CD2-OD2 2.7Å; H71-D83 IonicContact CE1-OD2 3.39Å; H71-D83 IonicContact NE2-OD2 3.5Å; H71-D83 PolarHBondContact NE2-OD2 2.82Å; I72-D83 CarbonylContact O-C 3.53Å; I72-D83 WeakPolarHBondContact O-CA 3.46Å; I72-D83 WeakPolarHBondContact O-CB 3.24Å; L73-D83 HydrophobicContact CG-CB 4.29Å; D83-L107 CarbonylContact O-C 3.55Å; D83-L107 WeakPolarHBondContact O-CA 3.36Å; D83-Q108 PolarHBondContact N-O 2.83Å; D83-Q108 PolarHBondContact O-N 3.49Å
84A94.4Very high88.8Confident8 Ų864.8 Ų64.87%0.06632%0.321CS..EExtended strand (participates in β ladder)trans-147.9138.8173.300000111.4H71 I72 V86 V105 H106 L107H71-A84 CarbonylContact C-O 3.55Å; H71-A84 WeakPolarHBondContact CA-O 3.4Å; H71-A84 PolarHBondContact CD2-O 2.81Å; I72-A84 PolarHBondContact N-O 2.93Å; I72-A84 PolarHBondContact O-N 2.73Å; A84-V86 HydrophobicContact CB-CG2 4.29Å; A84-V105 HydrophobicContact CB-CG1 3.61Å; A84-H106 WeakPolarHBondContact CB-O 3.31Å; A84-L107 HydrophobicContact CB-CD2 3.86Å
85L93.2Very high88Confident102 Ų10265.2 Ų65.253%0.53432%0.323SS..EExtended strand (participates in β ladder)trans-101.9118.5168.6-71.4170.6000109.2L45 V69 H71L45-L85 HydrophobicContact CD1-CD1 4.15Å; L45-L85 HydrophobicContact CD1-CD2 4.1Å; V69-L85 HydrophobicContact CG2-CD2 4.44Å; H71-L85 HydrophobicContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CB-CD2 3.49Å; H71-L85 VanDerWaalsContact CD2-CD2 3.46Å; H71-L85 WeakPolarHBondContact CD2-CD2 3.25Å
86V91.8Very high86.8Confident13 Ų1372.2 Ų72.28%0.07936%0.355CS..EExtended strand (participates in β ladder)trans-123.4126.9-175.1-173.80000109.7L70 I72 A84 L91 V105L70-V86 HydrophobicContact CB-CB 4.44Å; L70-V86 PolarHBondContact N-O 2.79Å; L70-V86 PolarHBondContact O-N 3.37Å; I72-V86 HydrophobicContact CD1-CG2 4.15Å; A84-V86 HydrophobicContact CB-CG2 4.29Å; V86-L91 HydrophobicContact CG1-CD1 3.74Å; V86-L91 HydrophobicContact CG1-CD2 3.81Å; V86-L91 HydrophobicContact CG1-CG 3.55Å; V86-V105 HydrophobicContact CG2-CG1 3.56Å; V86-V105 HydrophobicContact CG2-CG2 4.34Å
87R88.8Confident85.5Confident116 Ų11676.7 Ų76.744%0.43838%0.384SS..EExtended strand (participates in β ladder)trans-82.3150.8172.2-53.3177.6-70.8-177.20.6109.6V69 E89 D90V69-R87 HydrophobicContact CG1-CG 4.12Å; R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 3.46Å; R87-D90 VanDerWaalsContact CB-OD2 3.23Å; R87-D90 WeakPolarHBondContact CB-OD2 3.24Å; R87-D90 WeakPolarHBondContact CG-OD2 3.42Å; R87-D90 IonicContact CZ-OD1 3.46Å; R87-D90 IonicContact CZ-OD2 2.68Å; R87-D90 PolarHBondContact N-OD2 3.26Å; R87-D90 IonicContact NE-OD1 2.73Å; R87-D90 PolarHBondContact NE-OD1 2.81Å; R87-D90 IonicContact NE-OD2 3.04Å; R87-D90 PolarHBondContact NE-OD2 2.94Å; R87-D90 IonicContact NH2-OD1 3.72Å; R87-D90 PolarHBondContact NH2-OD1 2.9Å; R87-D90 IonicContact NH2-OD2 2.72Å; R87-D90 PolarHBondContact O-N 2.69Å
88F87.2Confident84.5Confident6 Ų675.2 Ų75.23%0.02637%0.373CS..Hα-helixtrans-62.2-38.4174.5-72-84.6000111.6L8 V62 V64 R68 L70 D90 L91 L92L8-F88 HydrophobicContact CB-CD1 4.37Å; L8-F88 HydrophobicContact CB-CE1 4.31Å; L8-F88 HydrophobicContact CD2-CD1 3.63Å; L8-F88 HydrophobicContact CD2-CE1 3.87Å; V62-F88 HydrophobicContact CB-CE1 4.27Å; V62-F88 HydrophobicContact CB-CZ 4.4Å; V62-F88 HydrophobicContact CG1-CE1 3.95Å; V62-F88 HydrophobicContact CG1-CZ 3.61Å; V64-F88 HydrophobicContact CB-CD1 4.46Å; V64-F88 HydrophobicContact CG1-CB 4.07Å; V64-F88 HydrophobicContact CG1-CD1 4.25Å; V64-F88 HydrophobicContact CG1-CG 4.17Å; V64-F88 HydrophobicContact CG2-CD1 4Å; V64-F88 HydrophobicContact CG2-CE1 4.39Å; R68-F88 HydrophobicContact CB-CD2 4.25Å; R68-F88 HydrophobicContact CB-CE2 3.65Å; R68-F88 VanDerWaalsContact O-CD2 3.24Å; R68-F88 WeakPolarHBondContact O-CD2 3.35Å; L70-F88 HydrophobicContact CD1-CE1 4.06Å; L70-F88 HydrophobicContact CD1-CZ 4.27Å; L70-F88 HydrophobicContact CD2-CE1 4.03Å; L70-F88 HydrophobicContact CD2-CE2 4.17Å; L70-F88 HydrophobicContact CD2-CZ 3.47Å; L70-F88 VanDerWaalsContact CD2-CZ 3.47Å; L70-F88 HydrophobicContact CG-CE1 4.03Å; L70-F88 HydrophobicContact CG-CE2 4.2Å; L70-F88 HydrophobicContact CG-CZ 3.73Å; F88-D90 PolarHBondContact O-N 3.45Å; F88-L91 WeakPolarHBondContact O-CB 3.47Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.11Å; F88-L92 HydrophobicContact CB-CD1 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.2Å; F88-L92 VanDerWaalsContact O-CG 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.23Å
89E83.3Confident84.3Confident99 Ų9972.4 Ų72.446%0.46336%0.364SS..Hα-helixtrans-53.7-50.6176.2-64.6168.6176.400111.3R87 L91 L92 D93R87-E89 VanDerWaalsContact C-N 3.27Å; R87-E89 PolarHBondContact O-N 3.46Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 2.7Å; E89-D93 PolarHBondContact O-N 3.44Å
90D85.8Confident84.1Confident57 Ų5764.4 Ų64.431%0.30534%0.336SS..Hα-helixtrans-58.2-29.7179.6-56.8-41.5000113R87 F88 K94R87-D90 VanDerWaalsContact CB-OD2 3.23Å; R87-D90 WeakPolarHBondContact CB-OD2 3.24Å; R87-D90 WeakPolarHBondContact CG-OD2 3.42Å; R87-D90 IonicContact CZ-OD1 3.46Å; R87-D90 IonicContact CZ-OD2 2.68Å; R87-D90 PolarHBondContact N-OD2 3.26Å; R87-D90 IonicContact NE-OD1 2.73Å; R87-D90 PolarHBondContact NE-OD1 2.81Å; R87-D90 IonicContact NE-OD2 3.04Å; R87-D90 PolarHBondContact NE-OD2 2.94Å; R87-D90 IonicContact NH2-OD1 3.72Å; R87-D90 PolarHBondContact NH2-OD1 2.9Å; R87-D90 IonicContact NH2-OD2 2.72Å; R87-D90 PolarHBondContact O-N 2.69Å; F88-D90 PolarHBondContact O-N 3.45Å; D90-K94 WeakPolarHBondContact O-CG 3.49Å
91L86.1Confident84Confident11 Ų1161.2 Ų61.26%0.05832%0.316CS..Hα-helixtrans-82.9-39.8175.7-66.1175.5000112L8 L70 V86 F88 E89 D93 K94 V103 I117L8-L91 HydrophobicContact CD2-CB 4.49Å; L8-L91 HydrophobicContact CD2-CD1 3.79Å; L70-L91 HydrophobicContact CD1-CD1 3.97Å; V86-L91 HydrophobicContact CG1-CD1 3.74Å; V86-L91 HydrophobicContact CG1-CD2 3.81Å; V86-L91 HydrophobicContact CG1-CG 3.55Å; F88-L91 WeakPolarHBondContact O-CB 3.47Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.11Å; E89-L91 PolarHBondContact O-N 2.87Å; E89-L91 VanDerWaalsContact O-N 3.08Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-K94 WeakPolarHBondContact O-CB 3.33Å; L91-K94 PolarHBondContact O-N 3.35Å; L91-V103 HydrophobicContact CD2-CG2 3.97Å; L91-I117 HydrophobicContact CB-CD1 3.81Å; L91-I117 HydrophobicContact CD1-CG2 4.45Å; L91-I117 HydrophobicContact CD2-CD1 4.18Å; L91-I117 HydrophobicContact CD2-CG2 4.43Å; L91-I117 WeakPolarHBondContact O-CD1 3.29Å
92L83.6Confident84Confident21 Ų2162.9 Ų62.911%0.1133%0.329CS..Hα-helixtrans-68.5-33.5-179.6-68.9170.6000111.8F2 L8 V64 F88 E89 K94 L95 C119F2-L92 HydrophobicContact CB-CD1 4.26Å; F2-L92 HydrophobicContact CD2-CD2 3.95Å; F2-L92 HydrophobicContact CE2-CD2 4.17Å; F2-L92 HydrophobicContact CG-CD1 4.5Å; F2-L92 HydrophobicContact CG-CD2 4.29Å; L8-L92 HydrophobicContact CD1-CD2 4.46Å; V64-L92 HydrophobicContact CG1-CD1 4.1Å; F88-L92 HydrophobicContact CB-CD1 4.42Å; F88-L92 WeakPolarHBondContact O-CB 3.2Å; F88-L92 VanDerWaalsContact O-CG 3.23Å; F88-L92 WeakPolarHBondContact O-CG 3.41Å; F88-L92 PolarHBondContact O-N 3.23Å; E89-L92 PolarHBondContact O-N 2.7Å; L92-K94 PolarHBondContact O-N 2.81Å; L92-L95 HydrophobicContact CD2-CD1 3.95Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 WeakPolarHBondContact O-CB 3.19Å; L92-L95 PolarHBondContact O-N 2.79Å; L92-C119 HydrophobicContact CD2-CB 4.31Å
93D82.9Confident83.9Confident94 Ų9463.5 Ų63.550%0.50333%0.332SS..G310 helixtrans-62.1-25.8173.9-65.2-10.7000111.6E89 L91 L95E89-D93 PolarHBondContact O-N 3.44Å; L91-D93 VanDerWaalsContact C-N 3.34Å; D93-L95 VanDerWaalsContact C-N 3.29Å
94K82.3Confident83.9Confident131 Ų13166.4 Ų66.457%0.5734%0.339SS*.G310 helixtrans-79.7-10.7174.6-55.1-61-178.7-166.60113.3D90 L91 L92 A101 V103D90-K94 WeakPolarHBondContact O-CG 3.49Å; L91-K94 WeakPolarHBondContact O-CB 3.33Å; L91-K94 PolarHBondContact O-N 3.35Å; L92-K94 PolarHBondContact O-N 2.81Å; K94-A101 HydrophobicContact CB-CB 4.39Å; K94-A101 WeakPolarHBondContact O-CB 3.33Å; K94-V103 HydrophobicContact CB-CG1 3.61Å; K94-V103 HydrophobicContact CG-CG1 3.75Å
95L78.1Confident83.8Confident9 Ų966.7 Ų66.75%0.04734%0.339CS..G310 helixtrans-97.3-3.2-178.3-72.3164.4000113.4L8 L92 D93 T97 C98 A101 I117 C119L8-L95 HydrophobicContact CD1-CD1 4.12Å; L92-L95 HydrophobicContact CD2-CD1 3.95Å; L92-L95 WeakPolarHBondContact O-CA 3.45Å; L92-L95 WeakPolarHBondContact O-CB 3.19Å; L92-L95 PolarHBondContact O-N 2.79Å; D93-L95 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.8Å; L95-C98 CarbonylContact C-O 3.49Å; L95-C98 VanDerWaalsContact CD2-O 3.29Å; L95-C98 WeakPolarHBondContact CD2-O 3.3Å; L95-C98 CarbonylContact O-C 3.56Å; L95-C98 PolarHBondContact O-N 2.83Å; L95-A101 HydrophobicContact CD2-CB 3.65Å; L95-A101 VanDerWaalsContact CD2-N 3.3Å; L95-A101 HydrophobicContact CG-CB 4.15Å; L95-I117 HydrophobicContact CD1-CD1 3.87Å; L95-I117 HydrophobicContact CD1-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CD1 4.3Å; L95-I117 HydrophobicContact CD2-CG1 4.12Å; L95-I117 HydrophobicContact CG-CD1 3.84Å; L95-I117 HydrophobicContact CG-CG1 4.21Å; L95-C119 HydrophobicContact CD1-CB 4.04Å
96E66.8Low83.8Confident163 Ų16367.3 Ų67.376%0.76234%0.34SS*.THydrogen-bonded Turntrans-56.7-24.6-172.4-67.5-170.114600114.9
97T62.2Low83.9Confident142 Ų14266.8 Ų66.887%0.87134%0.336SS*.THydrogen-bonded Turntrans-98.7-9.5178.852.90000114.3L95L95-T97 PolarHBondContact O-N 2.8Å
98C66.5Low84Confident51 Ų5167.1 Ų67.135%0.34534%0.343SS..  trans-164.5141.6-174.2-178.30000111.4L95 T100L95-C98 CarbonylContact C-O 3.49Å; L95-C98 VanDerWaalsContact CD2-O 3.29Å; L95-C98 WeakPolarHBondContact CD2-O 3.3Å; L95-C98 CarbonylContact O-C 3.56Å; L95-C98 PolarHBondContact O-N 2.83Å; C98-T100 WeakPolarHBondContact CB-O 3.32Å; C98-T100 PolarHBondContact O-N 2.8Å; C98-T100 PolarHBondContact SG-N 2.83Å; C98-T100 VanDerWaalsContact SG-N 3.36Å; C98-T100 PolarHBondContact SG-O 2.77Å
99D79.7Confident84.1Confident111 Ų11172.2 Ų72.259%0.59438%0.376SS*.SBendtrans-58.2-10.1172.4-59.1-24.2000114K118 C119D99-K118 WeakPolarHBondContact O-CA 3.38Å; D99-K118 WeakPolarHBondContact O-CB 3.04Å; D99-K118 VanDerWaalsContact O-CG 3.25Å; D99-K118 WeakPolarHBondContact O-CG 3.03Å; D99-C119 PolarHBondContact O-N 3.49Å
100T85.2Confident84.3Confident21 Ų2169 Ų6913%0.12937%0.366CS..EExtended strand (participates in β ladder)trans-136.3130.2179.2-49.80000110.3C98 Q116 I117 K118C98-T100 WeakPolarHBondContact CB-O 3.32Å; C98-T100 PolarHBondContact O-N 2.8Å; C98-T100 PolarHBondContact SG-N 2.83Å; C98-T100 VanDerWaalsContact SG-N 3.36Å; C98-T100 PolarHBondContact SG-O 2.77Å; T100-Q116 HydrophobicContact CG2-CG 4.09Å; T100-I117 CarbonylContact C-O 3.52Å; T100-I117 VanDerWaalsContact CA-O 3.27Å; T100-I117 WeakPolarHBondContact CA-O 3.34Å; T100-I117 WeakPolarHBondContact CG2-O 3.4Å; T100-K118 HydrophobicContact CG2-CB 4.37Å
101A87.1Confident84.4Confident14 Ų1466.4 Ų66.412%0.11635%0.353CS..EExtended strand (participates in β ladder)trans-129.8151.1174.300000110K94 L95 V103 Q116 I117K94-A101 HydrophobicContact CB-CB 4.39Å; K94-A101 WeakPolarHBondContact O-CB 3.33Å; L95-A101 HydrophobicContact CD2-CB 3.65Å; L95-A101 VanDerWaalsContact CD2-N 3.3Å; L95-A101 HydrophobicContact CG-CB 4.15Å; A101-V103 HydrophobicContact CB-CG1 4.26Å; A101-Q116 WeakPolarHBondContact O-CA 3.15Å; A101-I117 HydrophobicContact CB-CD1 4.2Å; A101-I117 HydrophobicContact CB-CG1 3.93Å; A101-I117 PolarHBondContact N-O 2.84Å; A101-I117 WeakPolarHBondContact O-CG1 3.34Å; A101-I117 PolarHBondContact O-N 3.19Å
102T91.1Very high84.8Confident86 Ų8669.1 Ų69.153%0.52837%0.365SS..EExtended strand (participates in β ladder)trans-115.4119.2171.2-59.70000107L114T102-L114 HydrophobicContact CG2-CD1 3.5Å; T102-L114 HydrophobicContact CG2-CD2 4.43Å; T102-L114 HydrophobicContact CG2-CG 4.02Å
103V91.2Very high85.3Confident20 Ų2068.2 Ų68.212%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-129.9143.4-167.8-66.10000110.6L91 K94 A101 V115 I117L91-V103 HydrophobicContact CD2-CG2 3.97Å; K94-V103 HydrophobicContact CB-CG1 3.61Å; K94-V103 HydrophobicContact CG-CG1 3.75Å; A101-V103 HydrophobicContact CB-CG1 4.26Å; V103-V115 HydrophobicContact CG2-CB 4.26Å; V103-V115 WeakPolarHBondContact CG2-O 3.39Å; V103-V115 PolarHBondContact N-O 2.79Å; V103-V115 PolarHBondContact O-N 2.87Å; V103-V115 VanDerWaalsContact O-O 3.11Å; V103-I117 HydrophobicContact CG1-CD1 4.36Å; V103-I117 HydrophobicContact CG2-CD1 4.17Å; V103-I117 HydrophobicContact CG2-CG1 4.32Å
104W94Very high85.8Confident120 Ų12064.8 Ų64.846%0.45534%0.342SS..EExtended strand (participates in β ladder)trans-89.9125.4169.8-73.5102.4000109.4V16 K112 L113 L114V16-W104 HydrophobicContact CG2-CH2 4.03Å; V16-W104 HydrophobicContact CG2-CZ3 4.22Å; W104-K112 HydrophobicContact CE3-CB 3.67Å; W104-K112 HydrophobicContact CZ3-CB 4.04Å; W104-L113 WeakPolarHBondContact CA-O 3.41Å; W104-L114 HydrophobicContact CD2-CB 4.27Å; W104-L114 HydrophobicContact CD2-CD1 3.78Å; W104-L114 HydrophobicContact CE3-CB 3.86Å; W104-L114 HydrophobicContact CE3-CD1 4.25Å; W104-L114 HydrophobicContact CG-CD1 4.15Å; W104-L114 HydrophobicContact CH2-CB 3.9Å; W104-L114 HydrophobicContact CH2-CD2 4.49Å; W104-L114 HydrophobicContact CZ2-CB 4.24Å; W104-L114 HydrophobicContact CZ2-CD1 4.02Å; W104-L114 HydrophobicContact CZ2-CD2 4.27Å; W104-L114 HydrophobicContact CZ2-CG 4.42Å; W104-L114 HydrophobicContact CZ3-CB 3.68Å
105V93Very high86.4Confident13 Ų1358.7 Ų58.78%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-99.5124.2170.5177.20000107.8I72 A84 V86 K112 L113 V115I72-V105 HydrophobicContact CD1-CG1 4.49Å; A84-V105 HydrophobicContact CB-CG1 3.61Å; V86-V105 HydrophobicContact CG2-CG1 3.56Å; V86-V105 HydrophobicContact CG2-CG2 4.34Å; V105-K112 CarbonylContact O-C 3.34Å; V105-K112 VanDerWaalsContact O-CA 3.32Å; V105-K112 WeakPolarHBondContact O-CA 3Å; V105-L113 HydrophobicContact CB-CB 4.43Å; V105-L113 PolarHBondContact N-O 2.79Å; V105-L113 PolarHBondContact O-N 2.76Å; V105-V115 HydrophobicContact CB-CG2 4.38Å; V105-V115 HydrophobicContact CG2-CB 4.39Å; V105-V115 HydrophobicContact CG2-CG2 3.77Å
106H92.9Very high87.1Confident116 Ų11659.4 Ų59.454%0.53732%0.319SS..EExtended strand (participates in β ladder)trans-77.7129.4176.2-72.6-98.9000110.1A84 K112A84-H106 WeakPolarHBondContact CB-O 3.31Å; H106-K112 WeakPolarHBondContact CE1-CE 2.87Å; H106-K112 PolarHBondContact CE1-NZ 2.83Å
107L93.6Very high88.2Confident2 Ų251.7 Ų51.71%0.0128%0.282CS..PPolyproline II helixtrans-97154.4176.4-59.4169.4000109.7L74 A82 D83 A84 G111 L113L74-L107 HydrophobicContact CB-CD1 4.15Å; L74-L107 HydrophobicContact CD2-CD1 3.71Å; A82-L107 HydrophobicContact CB-CB 3.88Å; A82-L107 HydrophobicContact CB-CD1 4.3Å; D83-L107 CarbonylContact O-C 3.55Å; D83-L107 WeakPolarHBondContact O-CA 3.36Å; A84-L107 HydrophobicContact CB-CD2 3.86Å; L107-G111 PolarHBondContact N-O 2.84Å; L107-L113 HydrophobicContact CD1-CB 4.21Å; L107-L113 HydrophobicContact CD2-CB 4.37Å; L107-L113 HydrophobicContact CG-CB 4.31Å
108Q90.6Very high89.5Confident123 Ų12347.7 Ų47.758%0.57525%0.253SS*.BIsolated β-bridgetrans-116.1141.2172.5-63-62.7-80.200109.2A82 D83A82-Q108 CarbonylContact C-O 3.54Å; A82-Q108 WeakPolarHBondContact CA-O 3.36Å; A82-Q108 VanDerWaalsContact CB-O 3.3Å; A82-Q108 WeakPolarHBondContact CB-O 3.42Å; D83-Q108 PolarHBondContact N-O 2.83Å; D83-Q108 PolarHBondContact O-N 3.49Å
109P90.4Very high90.3Very high112 Ų11245.7 Ų45.773%0.72724%0.239SC*.SBendcis-76.9-21.82.831-34.9000113.8
110A86.7Confident90.4Very high31 Ų3142.1 Ų42.126%0.25622%0.22SC..SBendtrans-146.1152.4-178.100000112.4Q18Q18-A110 HydrophobicContact CB-CB 4.48Å
111G89.4Confident89.8Confident3 Ų346.1 Ų46.13%0.03125%0.248CC..  trans105175.1171.900000115.3V16 L107V16-G111 CarbonylContact O-C 3.48Å; V16-G111 WeakPolarHBondContact O-CA 3.28Å; L107-G111 PolarHBondContact N-O 2.84Å
112K93.5Very high88.6Confident69 Ų6949.3 Ų49.330%0.326%0.261SS..EExtended strand (participates in β ladder)trans-141.9141.9179.3-53.6-176.3-169.1-175.90110.2A15 V16 W104 V105 H106A15-K112 WeakPolarHBondContact CA-O 3.3Å; V16-K112 PolarHBondContact N-O 3.16Å; V16-K112 PolarHBondContact O-N 3.39Å; W104-K112 HydrophobicContact CE3-CB 3.67Å; W104-K112 HydrophobicContact CZ3-CB 4.04Å; V105-K112 CarbonylContact O-C 3.34Å; V105-K112 VanDerWaalsContact O-CA 3.32Å; V105-K112 WeakPolarHBondContact O-CA 3Å; H106-K112 WeakPolarHBondContact CE1-CE 2.87Å; H106-K112 PolarHBondContact CE1-NZ 2.83Å
113L93.8Very high86.6Confident1 Ų149.2 Ų49.21%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-109.5124.4176.3-177.570.6000109.6F12 A15 W56 I72 W104 V105 L107 V115F12-L113 HydrophobicContact CD1-CD2 3.89Å; F12-L113 HydrophobicContact CE1-CD2 4.07Å; F12-L113 HydrophobicContact CG-CD2 4.34Å; A15-L113 HydrophobicContact CB-CD1 4.04Å; W56-L113 HydrophobicContact CH2-CD1 3.44Å; W56-L113 VanDerWaalsContact CH2-CD1 3.44Å; W56-L113 HydrophobicContact CZ3-CD1 3.53Å; I72-L113 HydrophobicContact CD1-CD2 4.36Å; I72-L113 HydrophobicContact CG2-CD2 3.7Å; W104-L113 WeakPolarHBondContact CA-O 3.41Å; V105-L113 HydrophobicContact CB-CB 4.43Å; V105-L113 PolarHBondContact N-O 2.79Å; V105-L113 PolarHBondContact O-N 2.76Å; L107-L113 HydrophobicContact CD1-CB 4.21Å; L107-L113 HydrophobicContact CD2-CB 4.37Å; L107-L113 HydrophobicContact CG-CB 4.31Å; L113-V115 HydrophobicContact CB-CG2 4.42Å; L113-V115 HydrophobicContact CD2-CG2 3.72Å; L113-V115 HydrophobicContact CG-CG2 3.75Å
114L94.6Very high84.1Confident23 Ų2354.3 Ų54.312%0.1230%0.296CS..EExtended strand (participates in β ladder)trans-82.1117.2171.8-17259.9000108.9V13 K14 T102 W104V13-L114 HydrophobicContact CB-CB 4.16Å; V13-L114 HydrophobicContact CB-CD2 4.13Å; V13-L114 HydrophobicContact CB-CG 4.05Å; V13-L114 WeakPolarHBondContact CB-O 3.48Å; V13-L114 HydrophobicContact CG1-CD2 3.82Å; V13-L114 HydrophobicContact CG1-CG 4.31Å; V13-L114 PolarHBondContact N-O 3.19Å; K14-L114 HydrophobicContact CD-CD2 4.46Å; K14-L114 HydrophobicContact CG-CB 3.85Å; K14-L114 HydrophobicContact CG-CD2 4.12Å; K14-L114 PolarHBondContact O-N 3.36Å; T102-L114 HydrophobicContact CG2-CD1 3.5Å; T102-L114 HydrophobicContact CG2-CD2 4.43Å; T102-L114 HydrophobicContact CG2-CG 4.02Å; W104-L114 HydrophobicContact CD2-CB 4.27Å; W104-L114 HydrophobicContact CD2-CD1 3.78Å; W104-L114 HydrophobicContact CE3-CB 3.86Å; W104-L114 HydrophobicContact CE3-CD1 4.25Å; W104-L114 HydrophobicContact CG-CD1 4.15Å; W104-L114 HydrophobicContact CH2-CB 3.9Å; W104-L114 HydrophobicContact CH2-CD2 4.49Å; W104-L114 HydrophobicContact CZ2-CB 4.24Å; W104-L114 HydrophobicContact CZ2-CD1 4.02Å; W104-L114 HydrophobicContact CZ2-CD2 4.27Å; W104-L114 HydrophobicContact CZ2-CG 4.42Å; W104-L114 HydrophobicContact CZ3-CB 3.68Å
115V93.9Very high81.7Confident2 Ų257.3 Ų57.31%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-120.3132.8-178.1-173.50000109V10 K11 F12 V103 V105 L113 I117V10-V115 HydrophobicContact CG1-CG1 3.43Å; V10-V115 VanDerWaalsContact CG1-CG1 3.43Å; K11-V115 WeakPolarHBondContact O-CA 3.42Å; F12-V115 HydrophobicContact CD1-CG1 4.07Å; F12-V115 HydrophobicContact CD1-CG2 3.92Å; F12-V115 HydrophobicContact CE1-CG1 4.25Å; F12-V115 HydrophobicContact CE1-CG2 4.2Å; V103-V115 HydrophobicContact CG2-CB 4.26Å; V103-V115 WeakPolarHBondContact CG2-O 3.39Å; V103-V115 PolarHBondContact N-O 2.79Å; V103-V115 PolarHBondContact O-N 2.87Å; V103-V115 VanDerWaalsContact O-O 3.11Å; V105-V115 HydrophobicContact CB-CG2 4.38Å; V105-V115 HydrophobicContact CG2-CB 4.39Å; V105-V115 HydrophobicContact CG2-CG2 3.77Å; L113-V115 HydrophobicContact CB-CG2 4.42Å; L113-V115 HydrophobicContact CD2-CG2 3.72Å; L113-V115 HydrophobicContact CG-CG2 3.75Å; V115-I117 HydrophobicContact CG1-CG2 3.92Å
116Q92.3Very high78.8Confident25 Ų2563.4 Ų63.412%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-102.2129.5168.3-175.1177.125.200109.8V10 K11 V13 T100 A101 L175V10-Q116 CarbonylContact C-O 3.59Å; K11-Q116 HydrophobicContact CB-CB 4.29Å; K11-Q116 PolarHBondContact N-O 2.82Å; K11-Q116 PolarHBondContact O-N 2.76Å; V13-Q116 HydrophobicContact CG2-CB 4.2Å; T100-Q116 HydrophobicContact CG2-CG 4.09Å; A101-Q116 WeakPolarHBondContact O-CA 3.15Å; Q116-L175 VanDerWaalsContact CD-CD2 3.46Å
117I91Very high75.8Confident1 Ų160.7 Ų60.71%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-121.3143.8-177.455.5171.6000110.3L8 R9 V10 L91 L95 T100 A101 V103 V115L8-I117 HydrophobicContact CD1-CB 4.12Å; R9-I117 CarbonylContact O-C 3.49Å; R9-I117 VanDerWaalsContact O-CA 3.29Å; R9-I117 WeakPolarHBondContact O-CA 3.41Å; V10-I117 HydrophobicContact CG2-CG2 4.43Å; L91-I117 HydrophobicContact CB-CD1 3.81Å; L91-I117 HydrophobicContact CD1-CG2 4.45Å; L91-I117 HydrophobicContact CD2-CD1 4.18Å; L91-I117 HydrophobicContact CD2-CG2 4.43Å; L91-I117 WeakPolarHBondContact O-CD1 3.29Å; L95-I117 HydrophobicContact CD1-CD1 3.87Å; L95-I117 HydrophobicContact CD1-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CD1 4.3Å; L95-I117 HydrophobicContact CD2-CG1 4.12Å; L95-I117 HydrophobicContact CG-CD1 3.84Å; L95-I117 HydrophobicContact CG-CG1 4.21Å; T100-I117 CarbonylContact C-O 3.52Å; T100-I117 VanDerWaalsContact CA-O 3.27Å; T100-I117 WeakPolarHBondContact CA-O 3.34Å; T100-I117 WeakPolarHBondContact CG2-O 3.4Å; A101-I117 HydrophobicContact CB-CD1 4.2Å; A101-I117 HydrophobicContact CB-CG1 3.93Å; A101-I117 PolarHBondContact N-O 2.84Å; A101-I117 WeakPolarHBondContact O-CG1 3.34Å; A101-I117 PolarHBondContact O-N 3.19Å; V103-I117 HydrophobicContact CG1-CD1 4.36Å; V103-I117 HydrophobicContact CG2-CD1 4.17Å; V103-I117 HydrophobicContact CG2-CG1 4.32Å; V115-I117 HydrophobicContact CG1-CG2 3.92Å
118K88.9Confident73.1Confident57 Ų5769.1 Ų69.125%0.24839%0.394CS..EExtended strand (participates in β ladder)trans-140.6131.3170.1163161.7-179.3-155.70109.8R9 D99 T100 W178R9-K118 HydrophobicContact CB-CB 4.4Å; R9-K118 PolarHBondContact N-O 3.15Å; R9-K118 PolarHBondContact O-N 2.76Å; D99-K118 WeakPolarHBondContact O-CA 3.38Å; D99-K118 WeakPolarHBondContact O-CB 3.04Å; D99-K118 VanDerWaalsContact O-CG 3.25Å; D99-K118 WeakPolarHBondContact O-CG 3.03Å; T100-K118 HydrophobicContact CG2-CB 4.37Å; K118-W178 HydrophobicContact CD-CH2 4.35Å; K118-W178 HydrophobicContact CD-CZ2 3.56Å; K118-W178 HydrophobicContact CG-CZ2 4.06Å; K118-W178 VanDerWaalsContact NZ-CZ2 3.34Å
119C83.5Confident70.6Confident9 Ų972.3 Ų72.36%0.06141%0.409CS..EExtended strand (participates in β ladder)trans-90.1145.4173.3-153.50000111.4F2 L92 L95 D99F2-C119 HydrophobicContact CE1-CB 3.82Å; F2-C119 WeakPolarHBondContact CE1-SG 3.47Å; F2-C119 HydrophobicContact CE2-CB 4.29Å; F2-C119 HydrophobicContact CZ-CB 3.54Å; F2-C119 WeakPolarHBondContact CZ-SG 3.43Å; L92-C119 HydrophobicContact CD2-CB 4.31Å; L95-C119 HydrophobicContact CD1-CB 4.04Å; D99-C119 PolarHBondContact O-N 3.49Å
120M81Confident68Low37 Ų3775.3 Ų75.318%0.18241%0.414CS..EExtended strand (participates in β ladder)trans-121132.3166.9-55.7173.8-118.800108.6G6 V7 R9 W178G6-M120 CarbonylContact C-O 3.53Å; G6-M120 VanDerWaalsContact CA-O 3.3Å; G6-M120 WeakPolarHBondContact CA-O 3.11Å; V7-M120 HydrophobicContact CB-CB 4.24Å; V7-M120 HydrophobicContact CB-CE 3.78Å; V7-M120 HydrophobicContact CB-SD 4.14Å; V7-M120 HydrophobicContact CG1-CE 3.43Å; V7-M120 VanDerWaalsContact CG1-CE 3.43Å; V7-M120 HydrophobicContact CG1-SD 4.38Å; V7-M120 PolarHBondContact N-O 2.74Å; V7-M120 PolarHBondContact O-N 2.76Å; R9-M120 HydrophobicContact CB-CE 3.98Å; M120-W178 HydrophobicContact CE-CH2 3.39Å; M120-W178 HydrophobicContact CE-CZ2 4.32Å; M120-W178 HydrophobicContact CE-CZ3 3.79Å; M120-W178 HydrophobicContact CG-CH2 3.26Å; M120-W178 HydrophobicContact CG-CZ2 4.37Å; M120-W178 HydrophobicContact CG-CZ3 3.77Å; M120-W178 HydrophobicContact SD-CE3 4.46Å; M120-W178 HydrophobicContact SD-CH2 3.15Å; M120-W178 WeakPolarHBondContact SD-CH2 3.24Å; M120-W178 HydrophobicContact SD-CZ2 4.44Å; M120-W178 HydrophobicContact SD-CZ3 3.16Å; M120-W178 WeakPolarHBondContact SD-CZ3 3.36Å
121S73.1Confident65.6Low104 Ų10482.9 Ų82.973%0.72744%0.444SS*.  trans-74.3127.9158.4-1670000107.9A123S121-A123 PolarHBondContact O-N 2.88Å; S121-A123 VanDerWaalsContact O-N 3.12Å
122E62.6Low63.2Low81 Ų8191.2 Ų91.238%0.37948%0.482SS..  trans-66.7109.1161.4-69.1-172168.200105.8G5 V7 R63 N124G5-E122 VanDerWaalsContact O-CG 3.3Å; G5-E122 WeakPolarHBondContact O-CG 3.41Å; V7-E122 HydrophobicContact CG2-CG 3.84Å; V7-E122 WeakPolarHBondContact CG2-OE1 3.13Å; R63-E122 IonicContact CZ-OE1 2.87Å; R63-E122 IonicContact CZ-OE2 3.65Å; R63-E122 IonicContact NH1-OE1 3.68Å; R63-E122 PolarHBondContact NH1-OE1 3.19Å; R63-E122 IonicContact NH1-OE2 3.61Å; R63-E122 PolarHBondContact NH1-OE2 3.34Å; R63-E122 IonicContact NH2-OE1 3.8Å; R63-E122 IonicContact NH2-OE2 2.84Å; R63-E122 PolarHBondContact NH2-OE2 3.17Å; E122-N124 PolarHBondContact O-N 3.29Å; E122-N124 VanDerWaalsContact O-N 3.07Å
123A49.4Very low60.4Low85 Ų8597.3 Ų97.370%0.70251%0.509SS*.  trans-63.5112.2167.800000106.1S121 E125S121-A123 PolarHBondContact O-N 2.88Å; S121-A123 VanDerWaalsContact O-N 3.12Å; A123-E125 PolarHBondContact O-N 3.21Å
124N39Very low58.2Low127 Ų127104 Ų10468%0.67954%0.542SS*.  trans-62.799.3177.6-162.224.6000107.8E122 N126E122-N124 PolarHBondContact O-N 3.29Å; E122-N124 VanDerWaalsContact O-N 3.07Å; N124-N126 PolarHBondContact ND2-O 3.15Å; N124-N126 PolarHBondContact O-N 2.66Å; N124-N126 VanDerWaalsContact O-N 3.17Å
125E41.9Very low55.3Low182 Ų182108.6 Ų108.685%0.8557%0.574SS**SBendtrans-74.613.5170.7-70.6-163.7115.200112.3A123A123-E125 PolarHBondContact O-N 3.21Å
126N32.4Very low52.7Low141 Ų141113.6 Ų113.675%0.75461%0.608SS**  trans-113.181.4169.8-64.1-36.5000109.2N124N124-N126 PolarHBondContact ND2-O 3.15Å; N124-N126 PolarHBondContact O-N 2.66Å; N124-N126 VanDerWaalsContact O-N 3.17Å
127G31.4Very low50.1Low60 Ų60117.3 Ų117.362%0.61964%0.643SS**  trans-167.953.817900000109.9E129G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 2.92Å
128L35.8Very low47.7Very low178 Ų178119 Ų11993%0.93266%0.66SS**  trans-69.394.3154.2-78.6160.9000106.2
129E38.6Very low46.1Very low190 Ų190123.4 Ų123.489%0.88869%0.685SS**  trans-121.2115.5159-74.4-172.7140.500108G127G127-E129 VanDerWaalsContact C-N 3.29Å; G127-E129 PolarHBondContact O-N 2.92Å
130E35Very low44.9Very low175 Ų175131.7 Ų131.782%0.81872%0.723SS**  trans-64.8123.4177.8-67.3164.785.200110.9
131Q37.5Very low43.5Very low191 Ų191139.1 Ų139.189%0.89375%0.754SS**  trans172.1113.5151.7-99.5162.2-1.300104.9
132E37.9Very low42.4Very low177 Ų177142.4 Ų142.483%0.82775%0.751SS**  cis-139.3138.626.6-65.8174.8104.500109.5I134E132-I134 PolarHBondContact O-N 3.19Å
133K34.9Very low41.6Very low198 Ų198150 Ų15086%0.86178%0.776SS**  trans-6795.8169.1-75.9178.6179.1179.40109.3P135K133-P135 WeakPolarHBondContact O-CD 3.24Å
134I47.6Very low41.7Very low140 Ų140149.4 Ų149.472%0.71878%0.777SS**  trans-85.5112.3149.6-55.9172000105.8E132 C136E132-I134 PolarHBondContact O-N 3.19Å; I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 PolarHBondContact O-N 3.33Å
135P33Very low42.2Very low121 Ų121146.9 Ų146.979%0.78678%0.775SS**  trans-7585.1178.330.2-30.8000108.8K133 A137K133-P135 WeakPolarHBondContact O-CD 3.24Å; P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.49Å
136C39.3Very low43Very low106 Ų106145.1 Ų145.172%0.71677%0.769SS**  trans-79.981.4163.8-94.20000109.2I134 G138I134-C136 VanDerWaalsContact C-N 3.28Å; I134-C136 PolarHBondContact O-N 3.33Å; C136-G138 PolarHBondContact O-N 2.87Å
137A38.1Very low44.3Very low103 Ų103147.9 Ų147.985%0.85177%0.769SS**  trans-52.3126.8155.500000109P135P135-A137 VanDerWaalsContact C-N 3.25Å; P135-A137 PolarHBondContact O-N 3.49Å
138G40.4Very low45.9Very low36 Ų36153.2 Ų153.237%0.37178%0.778SS.*  trans143.98.7164.900000118.8C136 E140 K141C136-G138 PolarHBondContact O-N 2.87Å; G138-E140 PolarHBondContact O-N 3.16Å; G138-K141 PolarHBondContact O-N 2.87Å
139I56.3Low47.7Very low151 Ų151150.7 Ų150.777%0.77476%0.761SS**G310 helixtrans-67.5-19.6178.3-63.2177.5000112.1
140E57.9Low50Low183 Ų183149.2 Ų149.286%0.85575%0.752SS**G310 helixtrans-84.6-4.4176.6-149.2134.7108.400114.8G138G138-E140 PolarHBondContact O-N 3.16Å
141K50.6Low52.6Low192 Ų192144.3 Ų144.384%0.83573%0.733SS**G310 helixtrans-109.59.9-178.2-74.1-174.2178-179.60115.2G138 R143G138-K141 PolarHBondContact O-N 2.87Å; K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 2.88Å
142R50.1Low55.1Low174 Ų174137.3 Ų137.366%0.65770%0.7SS**  trans-92.729.4-179.8-63.4-168.6-176.8169.51.3114.8G144R142-G144 PolarHBondContact O-N 2.87Å; R142-G144 VanDerWaalsContact O-N 3.16Å
143R46.6Very low57.7Low241 Ų241134.7 Ų134.791%0.90969%0.688SS**THydrogen-bonded Turntrans-72.1104.6166.9-64.9-170.9-163.5-139.64.2108.1K141K141-R143 VanDerWaalsContact C-N 3.34Å; K141-R143 PolarHBondContact O-N 2.88Å
144G51.6Low60.3Low71 Ų71126.8 Ų126.873%0.73266%0.655SS**THydrogen-bonded Turntrans130.4-8.7173.600000116.8R142 I146R142-G144 PolarHBondContact O-N 2.87Å; R142-G144 VanDerWaalsContact O-N 3.16Å; G144-I146 PolarHBondContact O-N 3.31Å
145A50Low62.2Low75 Ų75126.5 Ų126.562%0.6265%0.645SS**  trans-78.688.8177.600000111.4R147A145-R147 PolarHBondContact O-N 3.33Å; A145-R147 VanDerWaalsContact O-N 3.13Å
146I58Low64.8Low144 Ų144122 Ų12274%0.73862%0.62SS**  trans-69.8105.9173.1-56.2177.4000108.5G144 H148G144-I146 PolarHBondContact O-N 3.31Å; I146-H148 PolarHBondContact O-N 2.9Å
147R59.6Low67.4Low199 Ų199117 Ų11775%0.75159%0.587SS**  trans-77.4100.8173.6-71.9-178.9173.3-178.7-3.6109.5A145 H149A145-R147 PolarHBondContact O-N 3.33Å; A145-R147 VanDerWaalsContact O-N 3.13Å; R147-H149 PolarHBondContact O-N 2.97Å
148H65.6Low69.9Low173 Ų173113.5 Ų113.580%0.80156%0.556SS**PPolyproline II helixtrans-56.9122.6168.9-71.1-165.5000109.1I146 K150I146-H148 PolarHBondContact O-N 2.9Å; H148-K150 PolarHBondContact O-N 3.23Å
149H73.8Confident72.5Confident124 Ų124111.8 Ų111.857%0.57454%0.538SS*.PPolyproline II helixtrans-68.7127.2177.1-67.1-31.2000109.4R147 V151 V160R147-H149 PolarHBondContact O-N 2.97Å; H149-V151 WeakPolarHBondContact O-CG2 3.39Å; H149-V151 PolarHBondContact O-N 3.49Å; H149-V151 VanDerWaalsContact O-N 3.16Å; H149-V160 HydrophobicContact CB-CG1 4.43Å
150K85.8Confident74.3Confident160 Ų160105.1 Ų105.170%0.69650%0.504SS*.PPolyproline II helixtrans-60.6117.6172.9-173.8174.7-178.8173.80109.3H148H148-K150 PolarHBondContact O-N 3.23Å
151V89.3Confident75.9Confident72 Ų7297.7 Ų97.744%0.43647%0.474SS..EExtended strand (participates in β ladder)trans-97.5131.9177.7-173.10000108.9H149 V160H149-V151 WeakPolarHBondContact O-CG2 3.39Å; H149-V151 PolarHBondContact O-N 3.49Å; H149-V151 VanDerWaalsContact O-N 3.16Å; V151-V160 HydrophobicContact CB-CG1 4.5Å; V151-V160 HydrophobicContact CG2-CG1 3.91Å
152H90.6Very high77.8Confident43 Ų4389.9 Ų89.920%0.19944%0.443CS..EExtended strand (participates in β ladder)trans-104.4114.4172.7-68.5-97.6000108.9F159 Y185 H199H152-F159 HydrophobicContact CB-CB 4.07Å; H152-F159 PolarHBondContact N-O 2.89Å; H152-F159 WeakPolarHBondContact O-CB 3.26Å; H152-F159 PolarHBondContact O-N 2.93Å; H152-Y185 AromaticContact CD2-CE1 3.42Å; H152-Y185 VanDerWaalsContact CD2-CE1 3.42Å; H152-Y185 WeakPolarHBondContact CD2-CE1 3.46Å; H152-Y185 AromaticContact CD2-CZ 3.64Å; H152-Y185 AromaticContact NE2-CE1 3.83Å; H152-Y185 AromaticContact NE2-CZ 3.69Å; H152-Y185 PolarHBondContact NE2-OH 3.44Å; H152-Y185 VanDerWaalsContact NE2-OH 3.15Å; H152-H199 AromaticContact ND1-NE2 3.7Å
153E91.7Very high79.6Confident123 Ų12386.8 Ų86.858%0.57543%0.434SS*.EExtended strand (participates in β ladder)trans-93.1115.9-179.4-162.8170.315300110.6H157 K214E153-H157 VanDerWaalsContact CA-O 3.31Å; E153-H157 WeakPolarHBondContact CA-O 3.31Å; E153-K214 IonicContact OE2-NZ 3.3Å; E153-K214 PolarHBondContact OE2-NZ 3.21Å
154I90Very high81.6Confident31 Ų3176.4 Ų76.416%0.15940%0.396CS..EExtended strand (participates in β ladder)trans-138.7115.6-177.2-57.4-176.8000109.7G156 H157 F159 H199 V202I154-G156 PolarHBondContact O-N 3.19Å; I154-G156 VanDerWaalsContact O-N 3.14Å; I154-H157 PolarHBondContact N-O 3.01Å; I154-H157 VanDerWaalsContact O-CB 3.3Å; I154-H157 WeakPolarHBondContact O-CB 3.48Å; I154-H157 PolarHBondContact O-CD2 3.19Å; I154-H157 PolarHBondContact O-N 3.19Å; I154-F159 HydrophobicContact CB-CD2 4.17Å; I154-F159 HydrophobicContact CB-CE2 4.2Å; I154-F159 HydrophobicContact CD1-CD2 4.38Å; I154-F159 HydrophobicContact CG1-CD2 4.41Å; I154-H199 VanDerWaalsContact CD1-C 3.41Å; I154-H199 HydrophobicContact CD1-CB 3.99Å; I154-H199 WeakPolarHBondContact CD1-CD2 3.3Å; I154-H199 VanDerWaalsContact CD1-O 3.24Å; I154-H199 WeakPolarHBondContact CD1-O 3.16Å; I154-V202 HydrophobicContact CG2-CB 4.5Å
155R87.3Confident83Confident134 Ų13484.1 Ų84.151%0.50640%0.403SS..THydrogen-bonded Turntrans4940.2179-57.2-167.5-173.7-155.8-1.1113.1H157 V202 L203 R205 C206R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.38Å; R155-V202 WeakPolarHBondContact CD-O 3.32Å; R155-V202 PolarHBondContact NE-O 3.14Å; R155-L203 WeakPolarHBondContact CD-O 3.25Å; R155-L203 PolarHBondContact NH1-O 3.43Å; R155-L203 VanDerWaalsContact NH2-CD2 3.33Å; R155-R205 HydrophobicContact CB-CG 4.5Å; R155-R205 WeakPolarHBondContact O-CA 3.22Å; R155-C206 PolarHBondContact O-N 3.13Å; R155-C206 VanDerWaalsContact O-N 3.12Å
156G89.2Confident84.6Confident26 Ų2687.9 Ų87.927%0.26841%0.408SS..THydrogen-bonded Turntrans82.7-4-177.800000115.2I154 C206I154-G156 PolarHBondContact O-N 3.19Å; I154-G156 VanDerWaalsContact O-N 3.14Å; G156-C206 VanDerWaalsContact C-CB 3.42Å; G156-C206 VanDerWaalsContact O-CB 3.25Å; G156-C206 WeakPolarHBondContact O-CB 3.42Å
157H92.2Very high85.9Confident3 Ų385.9 Ų85.91%0.01440%0.404CS..EExtended strand (participates in β ladder)trans-82.2130.3171.5-67.1-91000110.8E153 I154 R155 F159 C187 C190 S204 C206E153-H157 VanDerWaalsContact CA-O 3.31Å; E153-H157 WeakPolarHBondContact CA-O 3.31Å; I154-H157 PolarHBondContact N-O 3.01Å; I154-H157 VanDerWaalsContact O-CB 3.3Å; I154-H157 WeakPolarHBondContact O-CB 3.48Å; I154-H157 PolarHBondContact O-CD2 3.19Å; I154-H157 PolarHBondContact O-N 3.19Å; R155-H157 VanDerWaalsContact C-N 3.32Å; R155-H157 PolarHBondContact O-N 3.38Å; H157-F159 HydrophobicContact CB-CD2 3.7Å; H157-F159 HydrophobicContact CB-CE1 4.3Å; H157-F159 HydrophobicContact CB-CE2 3.33Å; H157-F159 HydrophobicContact CB-CG 4.34Å; H157-F159 HydrophobicContact CB-CZ 3.66Å; H157-F159 AromaticContact CG-CE2 3.85Å; H157-F159 AromaticContact CG-CZ 3.78Å; H157-F159 PolarHBondContact O-N 3.03Å; H157-C187 HydrophobicContact CB-CB 4.23Å; H157-C187 PolarHBondContact ND1-SG 3.23Å; H157-C190 PolarHBondContact CE1-SG 3.16Å; H157-C190 PolarHBondContact ND1-SG 3.47Å; H157-S204 PolarHBondContact NE2-O 3.2Å; H157-C206 HydrophobicContact CB-CB 4.37Å; H157-C206 VanDerWaalsContact CE1-CA 3.49Å; H157-C206 WeakPolarHBondContact CE1-CA 3.47Å; H157-C206 WeakPolarHBondContact NE2-CA 3.4Å; H157-C206 PolarHBondContact NE2-N 3.16Å
158S92.3Very high87.2Confident28 Ų2877.9 Ų77.920%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-93.885.1169.6-700000110.1C187 L188S158-C187 CarbonylContact O-C 3.46Å; S158-C187 WeakPolarHBondContact O-CA 3.49Å; S158-L188 PolarHBondContact O-N 2.94Å
159F94.6Very high88.4Confident0 Ų075 Ų750%036%0.362CS..EExtended strand (participates in β ladder)trans-80.3123.3-175.9-78.6-59.9000112.3H152 I154 H157 Y185 C187 C192 V194 H199 V202H152-F159 HydrophobicContact CB-CB 4.07Å; H152-F159 PolarHBondContact N-O 2.89Å; H152-F159 WeakPolarHBondContact O-CB 3.26Å; H152-F159 PolarHBondContact O-N 2.93Å; I154-F159 HydrophobicContact CB-CD2 4.17Å; I154-F159 HydrophobicContact CB-CE2 4.2Å; I154-F159 HydrophobicContact CD1-CD2 4.38Å; I154-F159 HydrophobicContact CG1-CD2 4.41Å; H157-F159 HydrophobicContact CB-CD2 3.7Å; H157-F159 HydrophobicContact CB-CE1 4.3Å; H157-F159 HydrophobicContact CB-CE2 3.33Å; H157-F159 HydrophobicContact CB-CG 4.34Å; H157-F159 HydrophobicContact CB-CZ 3.66Å; H157-F159 AromaticContact CG-CE2 3.85Å; H157-F159 AromaticContact CG-CZ 3.78Å; H157-F159 PolarHBondContact O-N 3.03Å; F159-Y185 HydrophobicContact CB-CD1 4.23Å; F159-Y185 HydrophobicContact CB-CG 4.14Å; F159-C187 HydrophobicContact CD1-CB 4.1Å; F159-C187 HydrophobicContact CE1-CB 3.93Å; F159-C192 HydrophobicContact CE1-CB 4.46Å; F159-V194 HydrophobicContact CD1-CG2 4.02Å; F159-V194 HydrophobicContact CE1-CG1 4.45Å; F159-V194 HydrophobicContact CE1-CG2 3.64Å; F159-V194 HydrophobicContact CZ-CG1 4.43Å; F159-V194 HydrophobicContact CZ-CG2 3.94Å; F159-H199 HydrophobicContact CD2-CB 4.26Å; F159-H199 HydrophobicContact CE2-CB 4.5Å; F159-V202 HydrophobicContact CE2-CG2 4.13Å; F159-V202 HydrophobicContact CZ-CG2 4.01Å
160V92.6Very high89.4Confident11 Ų1169.1 Ų69.17%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-116.1145173.2-67.80000111.4H149 V151 T162 Y185 Q186 L188H149-V160 HydrophobicContact CB-CG1 4.43Å; V151-V160 HydrophobicContact CB-CG1 4.5Å; V151-V160 HydrophobicContact CG2-CG1 3.91Å; V160-T162 PolarHBondContact O-N 2.94Å; V160-T162 VanDerWaalsContact O-N 3.16Å; V160-T162 PolarHBondContact O-OG1 2.88Å; V160-Y185 VanDerWaalsContact C-CD1 3.46Å; V160-Y185 CarbonylContact O-C 3.51Å; V160-Y185 VanDerWaalsContact O-CA 3.26Å; V160-Y185 WeakPolarHBondContact O-CA 3.41Å; V160-Q186 WeakPolarHBondContact CG2-O 3.37Å; V160-Q186 PolarHBondContact N-O 3.41Å; V160-Q186 PolarHBondContact O-N 2.81Å; V160-L188 HydrophobicContact CB-CD2 4.42Å; V160-L188 HydrophobicContact CG1-CD1 3.74Å; V160-L188 HydrophobicContact CG1-CD2 4.08Å; V160-L188 HydrophobicContact CG1-CG 3.85Å; V160-L188 HydrophobicContact CG2-CD2 3.47Å; V160-L188 VanDerWaalsContact CG2-CD2 3.47Å; V160-L188 HydrophobicContact CG2-CG 3.89Å
161A92.8Very high89.7Confident28 Ų2865.1 Ų65.123%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-68.3113.5178.600000109.8K182 G184 Y185A161-K182 HydrophobicContact CB-CB 4.29Å; A161-K182 HydrophobicContact CB-CD 3.87Å; A161-K182 WeakPolarHBondContact O-CD 3.46Å; A161-K182 PolarHBondContact O-NZ 2.87Å; A161-G184 WeakPolarHBondContact CA-O 3.39Å; A161-Y185 HydrophobicContact CB-CD1 4.23Å; A161-Y185 HydrophobicContact CB-CE1 3.87Å
162T89.8Confident89.8Confident27 Ų2764.7 Ų64.717%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-116.3144.6-170.8-62.10000111V160 F164 K182 Q183 G184 Q186V160-T162 PolarHBondContact O-N 2.94Å; V160-T162 VanDerWaalsContact O-N 3.16Å; V160-T162 PolarHBondContact O-OG1 2.88Å; T162-F164 HydrophobicContact CG2-CD1 4.32Å; T162-F164 HydrophobicContact CG2-CE1 4.08Å; T162-F164 HydrophobicContact CG2-CE2 4.39Å; T162-F164 HydrophobicContact CG2-CZ 4.14Å; T162-K182 CarbonylContact O-C 3.57Å; T162-K182 WeakPolarHBondContact O-CA 3.1Å; T162-Q183 PolarHBondContact O-N 3.46Å; T162-G184 PolarHBondContact N-O 2.79Å; T162-Q186 HydrophobicContact CG2-CB 4.3Å; T162-Q186 WeakPolarHBondContact OG1-CB 3.49Å
163F88.8Confident89.8Confident109 Ų10964.7 Ų64.748%0.47833%0.326SS..  trans-94115.7167.5-178-96.4000109.1R165F163-R165 HydrophobicContact CD1-CG 3.93Å; F163-R165 HydrophobicContact CE1-CG 3.84Å
164F87.6Confident89.7Confident23 Ų2362.7 Ų62.710%0.10133%0.325CS..  trans-92.6106.8-178.9-60.5-84.7000109.5T162 Q166 T168 I177 Q183 Q186 A193T162-F164 HydrophobicContact CG2-CD1 4.32Å; T162-F164 HydrophobicContact CG2-CE1 4.08Å; T162-F164 HydrophobicContact CG2-CE2 4.39Å; T162-F164 HydrophobicContact CG2-CZ 4.14Å; F164-Q166 VanDerWaalsContact C-N 3.25Å; F164-Q166 PolarHBondContact O-N 2.79Å; F164-T168 HydrophobicContact CD1-CG2 3.82Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.31Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.44Å; F164-I177 HydrophobicContact CD2-CB 4.46Å; F164-I177 HydrophobicContact CD2-CG2 3.67Å; F164-I177 HydrophobicContact CE2-CD1 4.34Å; F164-I177 HydrophobicContact CE2-CG2 3.76Å; F164-I177 HydrophobicContact CZ-CD1 4.39Å; F164-Q183 HydrophobicContact CD2-CB 4.39Å; F164-Q186 HydrophobicContact CE1-CB 4.16Å; F164-Q186 HydrophobicContact CE1-CG 4.41Å; F164-Q186 HydrophobicContact CZ-CB 3.98Å; F164-A193 HydrophobicContact CE1-CB 3.78Å; F164-A193 HydrophobicContact CZ-CB 3.9Å
165R81.8Confident89.4Confident233 Ų23362.7 Ų62.788%0.87933%0.326SS*.SBendtrans-70.5-24.3178.2-68.6-177.4178.4-175.6-0.5113.1F163F163-R165 HydrophobicContact CD1-CG 3.93Å; F163-R165 HydrophobicContact CE1-CG 3.84Å
166Q84.1Confident89.3Confident155 Ų15558.6 Ų58.672%0.72431%0.312SS*.SBendtrans-113.6151.6-179.8-73.5178-3600110.8F164 T168F164-Q166 VanDerWaalsContact C-N 3.25Å; F164-Q166 PolarHBondContact O-N 2.79Å; Q166-T168 PolarHBondContact O-N 3.33Å; Q166-T168 PolarHBondContact O-OG1 3.49Å
167P84.2Confident89.2Confident101 Ų10157.6 Ų57.666%0.65630%0.3SS*.  trans-34.4106.4161.5-40.142.6000115.5F176P167-F176 HydrophobicContact CB-CE1 4.32Å; P167-F176 HydrophobicContact CB-CE2 3.35Å; P167-F176 HydrophobicContact CB-CZ 3.14Å; P167-F176 HydrophobicContact CG-CE2 4.33Å; P167-F176 HydrophobicContact CG-CZ 3.66Å
168T87.9Confident88.4Confident32 Ų3260.1 Ų60.120%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-125.5132.7-177.8-54.60000111F164 Q166 F176 I177 A193F164-T168 HydrophobicContact CD1-CG2 3.82Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.31Å; F164-T168 HydrophobicContact CE1-CG2 3.98Å; F164-T168 HydrophobicContact CG-CG2 4.44Å; Q166-T168 PolarHBondContact O-N 3.33Å; Q166-T168 PolarHBondContact O-OG1 3.49Å; T168-F176 CarbonylContact O-C 3.59Å; T168-F176 WeakPolarHBondContact O-CA 3.24Å; T168-F176 WeakPolarHBondContact O-CD2 3.33Å; T168-I177 HydrophobicContact CG2-CD1 4.12Å; T168-I177 PolarHBondContact O-N 2.84Å; T168-A193 HydrophobicContact CG2-CB 3.54Å
169F90.8Very high87.3Confident111 Ų11160.5 Ų60.549%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-96.8141.1177.2-69-93.3000111.5S171 S174 F176F169-S171 PolarHBondContact O-N 2.97Å; F169-S174 WeakPolarHBondContact CD1-O 3.45Å; F169-F176 HydrophobicContact CD1-CD2 4.1Å; F169-F176 HydrophobicContact CD2-CD2 4.11Å; F169-F176 HydrophobicContact CD2-CE2 4.38Å; F169-F176 AromaticContact CE1-CD2 3.89Å; F169-F176 HydrophobicContact CE1-CD2 3.89Å; F169-F176 AromaticContact CE2-CD2 3.89Å; F169-F176 HydrophobicContact CE2-CD2 3.89Å; F169-F176 AromaticContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CG-CD2 4.21Å; F169-F176 AromaticContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CE2 4.07Å
170C93.3Very high86.1Confident2 Ų268.7 Ų68.71%0.01436%0.361CS..  trans-74.5124.2176.2173.40000110.5M172 C173 S174 L175 I177 A193 V194 H195C170-M172 PolarHBondContact O-N 3.39Å; C170-M172 PolarHBondContact SG-N 3.39Å; C170-M172 VanDerWaalsContact SG-N 3.39Å; C170-C173 PolarHBondContact O-N 2.97Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C170-S174 VanDerWaalsContact O-CA 3.24Å; C170-S174 WeakPolarHBondContact O-CA 3.22Å; C170-S174 PolarHBondContact O-N 2.9Å; C170-L175 VanDerWaalsContact CB-O 3.31Å; C170-L175 WeakPolarHBondContact CB-O 3.43Å; C170-L175 PolarHBondContact N-O 3.11Å; C170-I177 HydrophobicContact CB-CD1 4.16Å; C170-I177 HydrophobicContact CB-CG1 3.93Å; C170-A193 CarbonylContact C-O 3.56Å; C170-A193 WeakPolarHBondContact CA-O 3.39Å; C170-V194 VanDerWaalsContact SG-CA 3.53Å; C170-H195 VanDerWaalsContact CB-CE1 3.4Å; C170-H195 WeakPolarHBondContact CB-CE1 3.36Å; C170-H195 VanDerWaalsContact CB-ND1 3.34Å; C170-H195 WeakPolarHBondContact CB-ND1 3.22Å; C170-H195 PolarHBondContact SG-N 3.27Å
171S92.4Very high85.2Confident76 Ų7671.8 Ų71.853%0.53138%0.383SS..THydrogen-bonded Turntrans-65.1-5178.9-52.10000114.9F169 A193F169-S171 PolarHBondContact O-N 2.97Å; S171-A193 PolarHBondContact N-O 2.89Å; S171-A193 PolarHBondContact OG-O 3.39Å
172M91.1Very high84.5Confident62 Ų6274.6 Ų74.631%0.30539%0.39SS..THydrogen-bonded Turntrans-105.4-37.3-179.2-72.2-52.9-57.100115.1C170 V194 C198 K201 V202C170-M172 PolarHBondContact O-N 3.39Å; C170-M172 PolarHBondContact SG-N 3.39Å; C170-M172 VanDerWaalsContact SG-N 3.39Å; M172-V194 HydrophobicContact CG-CG1 3.88Å; M172-C198 HydrophobicContact CB-CB 3.94Å; M172-C198 HydrophobicContact CG-CB 4.36Å; M172-K201 HydrophobicContact CE-CB 4.33Å; M172-K201 WeakPolarHBondContact CE-O 3.44Å; M172-V202 HydrophobicContact CG-CB 4.37Å; M172-V202 HydrophobicContact CG-CG2 3.51Å; M172-V202 WeakPolarHBondContact SD-CA 3.36Å; M172-V202 HydrophobicContact SD-CB 4.05Å; M172-V202 HydrophobicContact SD-CG1 4.28Å; M172-V202 HydrophobicContact SD-CG2 3.81Å
173C90.4Very high84.1Confident44 Ų4474.3 Ų74.330%0.29739%0.387SS..THydrogen-bonded Turntrans-118.6-2.1-178.862.60000112.8C170 L175 H195C170-C173 PolarHBondContact O-N 2.97Å; C170-C173 VanDerWaalsContact SG-SG 3.68Å; C173-L175 HydrophobicContact CB-CD1 4.34Å; C173-L175 HydrophobicContact CB-CG 4.05Å; C173-L175 WeakPolarHBondContact O-CG 3.31Å; C173-L175 PolarHBondContact O-N 2.97Å; C173-H195 PolarHBondContact SG-CE1 2.83Å; C173-H195 PolarHBondContact SG-ND1 3.09Å
174S89.9Confident84.2Confident80 Ų8069.1 Ų69.156%0.55936%0.364SS*.  trans56.719.4-176-51.90000113.7F169 C170F169-S174 WeakPolarHBondContact CD1-O 3.45Å; C170-S174 VanDerWaalsContact O-CA 3.24Å; C170-S174 WeakPolarHBondContact O-CA 3.22Å; C170-S174 PolarHBondContact O-N 2.9Å
175L85Confident84.6Confident32 Ų3269.4 Ų69.417%0.16837%0.365CS..  trans-97.1153.3175.4-50.5-178000110.4Q116 C170 C173 H195Q116-L175 VanDerWaalsContact CD-CD2 3.46Å; C170-L175 VanDerWaalsContact CB-O 3.31Å; C170-L175 WeakPolarHBondContact CB-O 3.43Å; C170-L175 PolarHBondContact N-O 3.11Å; C173-L175 HydrophobicContact CB-CD1 4.34Å; C173-L175 HydrophobicContact CB-CG 4.05Å; C173-L175 WeakPolarHBondContact O-CG 3.31Å; C173-L175 PolarHBondContact O-N 2.97Å; L175-H195 PolarHBondContact O-CE1 3.49Å
176F85.1Confident85.2Confident48 Ų4860.3 Ų60.321%0.21133%0.332CS..EExtended strand (participates in β ladder)trans-68.4140.5-177.4-153-116.7000112.8P167 T168 F169 W178 H195P167-F176 HydrophobicContact CB-CE1 4.32Å; P167-F176 HydrophobicContact CB-CE2 3.35Å; P167-F176 HydrophobicContact CB-CZ 3.14Å; P167-F176 HydrophobicContact CG-CE2 4.33Å; P167-F176 HydrophobicContact CG-CZ 3.66Å; T168-F176 CarbonylContact O-C 3.59Å; T168-F176 WeakPolarHBondContact O-CA 3.24Å; T168-F176 WeakPolarHBondContact O-CD2 3.33Å; F169-F176 HydrophobicContact CD1-CD2 4.1Å; F169-F176 HydrophobicContact CD2-CD2 4.11Å; F169-F176 HydrophobicContact CD2-CE2 4.38Å; F169-F176 AromaticContact CE1-CD2 3.89Å; F169-F176 HydrophobicContact CE1-CD2 3.89Å; F169-F176 AromaticContact CE2-CD2 3.89Å; F169-F176 HydrophobicContact CE2-CD2 3.89Å; F169-F176 AromaticContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CE2-CE2 3.94Å; F169-F176 HydrophobicContact CG-CD2 4.21Å; F169-F176 AromaticContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CD2 3.79Å; F169-F176 HydrophobicContact CZ-CE2 4.07Å; F176-W178 HydrophobicContact CD1-CB 3.67Å; F176-W178 AromaticContact CD1-CD1 3.55Å; F176-W178 AromaticContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CE1-CB 4.08Å; F176-H195 PolarHBondContact O-NE2 3.24Å
177I85.7Confident85.7Confident4 Ų452.9 Ų52.92%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-96.7109.3174.3-54.6172.9000107.3F164 T168 C170 Q183 A193F164-I177 HydrophobicContact CD2-CB 4.46Å; F164-I177 HydrophobicContact CD2-CG2 3.67Å; F164-I177 HydrophobicContact CE2-CD1 4.34Å; F164-I177 HydrophobicContact CE2-CG2 3.76Å; F164-I177 HydrophobicContact CZ-CD1 4.39Å; T168-I177 HydrophobicContact CG2-CD1 4.12Å; T168-I177 PolarHBondContact O-N 2.84Å; C170-I177 HydrophobicContact CB-CD1 4.16Å; C170-I177 HydrophobicContact CB-CG1 3.93Å; I177-Q183 HydrophobicContact CG2-CB 3.56Å; I177-A193 HydrophobicContact CD1-CB 3.81Å
178W76.7Confident86.1Confident56 Ų5652.8 Ų52.821%0.21229%0.291CS..  trans-155.2160.2-174.962.4-82.5000111.8R9 K118 M120 F176 Q183R9-W178 VanDerWaalsContact CZ-CE2 3.46Å; R9-W178 VanDerWaalsContact CZ-CZ2 3.49Å; K118-W178 HydrophobicContact CD-CH2 4.35Å; K118-W178 HydrophobicContact CD-CZ2 3.56Å; K118-W178 HydrophobicContact CG-CZ2 4.06Å; K118-W178 VanDerWaalsContact NZ-CZ2 3.34Å; M120-W178 HydrophobicContact CE-CH2 3.39Å; M120-W178 HydrophobicContact CE-CZ2 4.32Å; M120-W178 HydrophobicContact CE-CZ3 3.79Å; M120-W178 HydrophobicContact CG-CH2 3.26Å; M120-W178 HydrophobicContact CG-CZ2 4.37Å; M120-W178 HydrophobicContact CG-CZ3 3.77Å; M120-W178 HydrophobicContact SD-CE3 4.46Å; M120-W178 HydrophobicContact SD-CH2 3.15Å; M120-W178 WeakPolarHBondContact SD-CH2 3.24Å; M120-W178 HydrophobicContact SD-CZ2 4.44Å; M120-W178 HydrophobicContact SD-CZ3 3.16Å; M120-W178 WeakPolarHBondContact SD-CZ3 3.36Å; F176-W178 HydrophobicContact CD1-CB 3.67Å; F176-W178 AromaticContact CD1-CD1 3.55Å; F176-W178 AromaticContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CD1-CG 3.83Å; F176-W178 HydrophobicContact CE1-CB 4.08Å; W178-Q183 VanDerWaalsContact C-CG 3.4Å
179G69.7Low86.2Confident37 Ų3753.1 Ų53.138%0.38129%0.293SS..  trans147.8169.4-171.700000110.6Q183G179-Q183 VanDerWaalsContact N-CG 3.33Å; G179-Q183 VanDerWaalsContact O-CG 3.31Å; G179-Q183 WeakPolarHBondContact O-CG 3.19Å; G179-Q183 PolarHBondContact O-NE2 3.26Å
180L67.6Low86.3Confident172 Ų17249.7 Ų49.790%0.90128%0.283SS*.SBendtrans-84.7-6.6-177.6-63.4172.2000114.2
181S75.1Confident86.3Confident76 Ų7657.5 Ų57.553%0.53131%0.312SS..SBendtrans-122.3179.3-179.668.20000111Q183S181-Q183 WeakPolarHBondContact O-CA 3.42Å; S181-Q183 WeakPolarHBondContact O-CG 3.35Å; S181-Q183 PolarHBondContact O-N 3.03Å; S181-Q183 PolarHBondContact O-NE2 2.67Å; S181-Q183 PolarHBondContact O-OE1 2.76Å
182K77.7Confident86.3Confident87 Ų8754.8 Ų54.838%0.37829%0.292SS..  trans-47.2100.3173.6-67.6178.8168.8-153.30110.7A161 T162 K196A161-K182 HydrophobicContact CB-CB 4.29Å; A161-K182 HydrophobicContact CB-CD 3.87Å; A161-K182 WeakPolarHBondContact O-CD 3.46Å; A161-K182 PolarHBondContact O-NZ 2.87Å; T162-K182 CarbonylContact O-C 3.57Å; T162-K182 WeakPolarHBondContact O-CA 3.1Å; K182-K196 WeakPolarHBondContact O-CE 3.36Å; K182-K196 PolarHBondContact O-NZ 2.99Å
183Q81.5Confident86.5Confident21 Ų2152.2 Ų52.210%0.09828%0.281CS..  trans-83.7-23.3-159.7-57.482.59.600112.4T162 F164 I177 W178 G179 S181T162-Q183 PolarHBondContact O-N 3.46Å; F164-Q183 HydrophobicContact CD2-CB 4.39Å; I177-Q183 HydrophobicContact CG2-CB 3.56Å; W178-Q183 VanDerWaalsContact C-CG 3.4Å; G179-Q183 VanDerWaalsContact N-CG 3.33Å; G179-Q183 VanDerWaalsContact O-CG 3.31Å; G179-Q183 WeakPolarHBondContact O-CG 3.19Å; G179-Q183 PolarHBondContact O-NE2 3.26Å; S181-Q183 WeakPolarHBondContact O-CA 3.42Å; S181-Q183 WeakPolarHBondContact O-CG 3.35Å; S181-Q183 PolarHBondContact O-N 3.03Å; S181-Q183 PolarHBondContact O-NE2 2.67Å; S181-Q183 PolarHBondContact O-OE1 2.76Å
184G91.1Very high86.6Confident0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-158.5-171.2-176.500000112.3A161 T162 V194A161-G184 WeakPolarHBondContact CA-O 3.39Å; T162-G184 PolarHBondContact N-O 2.79Å; G184-V194 CarbonylContact C-O 3.52Å; G184-V194 VanDerWaalsContact CA-O 3.28Å; G184-V194 WeakPolarHBondContact CA-O 3.27Å
185Y94.9Very high86.8Confident28 Ų2847.4 Ų47.411%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-106139.6174.5-72.1-66.1000110.1H152 F159 V160 A161 A193 V194 K196 H199H152-Y185 AromaticContact CD2-CE1 3.42Å; H152-Y185 VanDerWaalsContact CD2-CE1 3.42Å; H152-Y185 WeakPolarHBondContact CD2-CE1 3.46Å; H152-Y185 AromaticContact CD2-CZ 3.64Å; H152-Y185 AromaticContact NE2-CE1 3.83Å; H152-Y185 AromaticContact NE2-CZ 3.69Å; H152-Y185 PolarHBondContact NE2-OH 3.44Å; H152-Y185 VanDerWaalsContact NE2-OH 3.15Å; F159-Y185 HydrophobicContact CB-CD1 4.23Å; F159-Y185 HydrophobicContact CB-CG 4.14Å; V160-Y185 VanDerWaalsContact C-CD1 3.46Å; V160-Y185 CarbonylContact O-C 3.51Å; V160-Y185 VanDerWaalsContact O-CA 3.26Å; V160-Y185 WeakPolarHBondContact O-CA 3.41Å; A161-Y185 HydrophobicContact CB-CD1 4.23Å; A161-Y185 HydrophobicContact CB-CE1 3.87Å; Y185-A193 WeakPolarHBondContact O-CA 3.47Å; Y185-V194 PolarHBondContact N-O 3.46Å; Y185-V194 PolarHBondContact O-N 3.45Å; Y185-K196 HydrophobicContact CD2-CB 4.42Å; Y185-K196 HydrophobicContact CD2-CG 4.29Å; Y185-K196 HydrophobicContact CE2-CB 4Å; Y185-K196 HydrophobicContact CE2-CG 3.94Å; Y185-H199 HydrophobicContact CD2-CB 3.75Å; Y185-H199 AromaticContact CD2-CG 3.66Å; Y185-H199 HydrophobicContact CE2-CB 4.42Å; Y185-H199 AromaticContact CE2-CD2 3.93Å; Y185-H199 AromaticContact CE2-CG 3.83Å; Y185-H199 AromaticContact CE2-ND1 3.86Å; Y185-H199 HydrophobicContact CG-CB 4.44Å
186Q94.2Very high87.2Confident42 Ų4250.5 Ų50.520%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-118.9132.3168.7-166.1176.326.600109.4V160 T162 F164 L188 R191 C192V160-Q186 WeakPolarHBondContact CG2-O 3.37Å; V160-Q186 PolarHBondContact N-O 3.41Å; V160-Q186 PolarHBondContact O-N 2.81Å; T162-Q186 HydrophobicContact CG2-CB 4.3Å; T162-Q186 WeakPolarHBondContact OG1-CB 3.49Å; F164-Q186 HydrophobicContact CE1-CB 4.16Å; F164-Q186 HydrophobicContact CE1-CG 4.41Å; F164-Q186 HydrophobicContact CZ-CB 3.98Å; Q186-L188 PolarHBondContact O-N 3.39Å; Q186-R191 WeakPolarHBondContact CG-O 3.01Å; Q186-R191 PolarHBondContact NE2-O 3.41Å; Q186-C192 CarbonylContact C-O 3.55Å; Q186-C192 WeakPolarHBondContact CA-O 3.47Å
187C94.7Very high87.5Confident0 Ų054.2 Ų54.20%027%0.27CS..EExtended strand (participates in β ladder)trans-66.4126.7171-176.80000109.1H157 S158 F159 V189 R191 C192H157-C187 HydrophobicContact CB-CB 4.23Å; H157-C187 PolarHBondContact ND1-SG 3.23Å; S158-C187 CarbonylContact O-C 3.46Å; S158-C187 WeakPolarHBondContact O-CA 3.49Å; F159-C187 HydrophobicContact CD1-CB 4.1Å; F159-C187 HydrophobicContact CE1-CB 3.93Å; C187-V189 PolarHBondContact O-N 3.06Å; C187-V189 PolarHBondContact SG-N 3.18Å; C187-R191 WeakPolarHBondContact O-CA 3.45Å; C187-R191 PolarHBondContact O-N 2.91Å; C187-R191 VanDerWaalsContact O-N 3.09Å; C187-C192 HydrophobicContact CB-CB 4.15Å; C187-C192 PolarHBondContact N-O 2.92Å
188L92.7Very high87.8Confident99 Ų9954.5 Ų54.552%0.51827%0.272SS..THydrogen-bonded Turntrans-61.5-28176.6-70175.8000112.8S158 V160 Q186S158-L188 PolarHBondContact O-N 2.94Å; V160-L188 HydrophobicContact CB-CD2 4.42Å; V160-L188 HydrophobicContact CG1-CD1 3.74Å; V160-L188 HydrophobicContact CG1-CD2 4.08Å; V160-L188 HydrophobicContact CG1-CG 3.85Å; V160-L188 HydrophobicContact CG2-CD2 3.47Å; V160-L188 VanDerWaalsContact CG2-CD2 3.47Å; V160-L188 HydrophobicContact CG2-CG 3.89Å; Q186-L188 PolarHBondContact O-N 3.39Å
189V91.4Very high88.5Confident38 Ų3853.3 Ų53.323%0.2327%0.269CS..THydrogen-bonded Turntrans-89.5-70.4-174.3-176.20000111.1C187 G208 I212C187-V189 PolarHBondContact O-N 3.06Å; C187-V189 PolarHBondContact SG-N 3.18Å; V189-G208 VanDerWaalsContact CG1-C 3.47Å; V189-G208 WeakPolarHBondContact CG1-O 3.21Å; V189-I212 HydrophobicContact CG2-CD1 4.02Å
190C92.1Very high89.6Confident40 Ų4055 Ų5527%0.2728%0.279SS..THydrogen-bonded Turntrans-90.84-174.570.60000114.7H157 C192 P207H157-C190 PolarHBondContact CE1-SG 3.16Å; H157-C190 PolarHBondContact ND1-SG 3.47Å; C190-C192 PolarHBondContact O-N 3.48Å; C190-C192 WeakPolarHBondContact SG-CB 3.48Å; C190-P207 HydrophobicContact CB-CG 3.76Å
191R92.9Very high90.8Very high165 Ų16553.8 Ų53.862%0.62327%0.267SS*.  trans60.87.3-177.7-55.3-62.8-173151.61.3116.4Q186 C187 A193Q186-R191 WeakPolarHBondContact CG-O 3.01Å; Q186-R191 PolarHBondContact NE2-O 3.41Å; C187-R191 WeakPolarHBondContact O-CA 3.45Å; C187-R191 PolarHBondContact O-N 2.91Å; C187-R191 VanDerWaalsContact O-N 3.09Å; R191-A193 PolarHBondContact O-N 2.84Å
192C93.2Very high91.4Very high19 Ų1950.2 Ų50.213%0.12824%0.241CC..  trans-49.3124.9172.31760000110.5F159 Q186 C187 C190F159-C192 HydrophobicContact CE1-CB 4.46Å; Q186-C192 CarbonylContact C-O 3.55Å; Q186-C192 WeakPolarHBondContact CA-O 3.47Å; C187-C192 HydrophobicContact CB-CB 4.15Å; C187-C192 PolarHBondContact N-O 2.92Å; C190-C192 PolarHBondContact O-N 3.48Å; C190-C192 WeakPolarHBondContact SG-CB 3.48Å
193A94.4Very high91.9Very high8 Ų851.7 Ų51.77%0.06625%0.253CS..EExtended strand (participates in β ladder)trans-110.8130.8-176.800000109.9F164 T168 C170 S171 I177 Y185 R191F164-A193 HydrophobicContact CE1-CB 3.78Å; F164-A193 HydrophobicContact CZ-CB 3.9Å; T168-A193 HydrophobicContact CG2-CB 3.54Å; C170-A193 CarbonylContact C-O 3.56Å; C170-A193 WeakPolarHBondContact CA-O 3.39Å; S171-A193 PolarHBondContact N-O 2.89Å; S171-A193 PolarHBondContact OG-O 3.39Å; I177-A193 HydrophobicContact CD1-CB 3.81Å; Y185-A193 WeakPolarHBondContact O-CA 3.47Å; R191-A193 PolarHBondContact O-N 2.84Å
194V94Very high92.2Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-141.4153.8-177.8-63.30000111.4F159 C170 M172 G184 Y185 C198 H199 V202F159-V194 HydrophobicContact CD1-CG2 4.02Å; F159-V194 HydrophobicContact CE1-CG1 4.45Å; F159-V194 HydrophobicContact CE1-CG2 3.64Å; F159-V194 HydrophobicContact CZ-CG1 4.43Å; F159-V194 HydrophobicContact CZ-CG2 3.94Å; C170-V194 VanDerWaalsContact SG-CA 3.53Å; M172-V194 HydrophobicContact CG-CG1 3.88Å; G184-V194 CarbonylContact C-O 3.52Å; G184-V194 VanDerWaalsContact CA-O 3.28Å; G184-V194 WeakPolarHBondContact CA-O 3.27Å; Y185-V194 PolarHBondContact N-O 3.46Å; Y185-V194 PolarHBondContact O-N 3.45Å; V194-C198 HydrophobicContact CB-CB 4.19Å; V194-H199 HydrophobicContact CG2-CB 3.67Å; V194-V202 HydrophobicContact CG1-CG2 3.91Å
195H93.4Very high92.2Very high24 Ų2464 Ų6411%0.11131%0.309CS..EExtended strand (participates in β ladder)trans-62.6158.5169.6-61.8103.2000111.5C170 C173 L175 F176 R197 C198 H199C170-H195 VanDerWaalsContact CB-CE1 3.4Å; C170-H195 WeakPolarHBondContact CB-CE1 3.36Å; C170-H195 VanDerWaalsContact CB-ND1 3.34Å; C170-H195 WeakPolarHBondContact CB-ND1 3.22Å; C170-H195 PolarHBondContact SG-N 3.27Å; C173-H195 PolarHBondContact SG-CE1 2.83Å; C173-H195 PolarHBondContact SG-ND1 3.09Å; L175-H195 PolarHBondContact O-CE1 3.49Å; F176-H195 PolarHBondContact O-NE2 3.24Å; H195-R197 HydrophobicContact CB-CG 4.01Å; H195-R197 PolarHBondContact O-N 3.45Å; H195-C198 HydrophobicContact CB-CB 4Å; H195-C198 PolarHBondContact O-N 3.2Å; H195-H199 PolarHBondContact O-N 3.47Å; H195-H199 VanDerWaalsContact O-N 3.15Å
196K92Very high92Very high96 Ų9663.2 Ų63.242%0.41731%0.307SS..THydrogen-bonded Turntrans-52.8-37.3169.6-65.7-176-175.8168.20113.1K182 Y185 H199K182-K196 WeakPolarHBondContact O-CE 3.36Å; K182-K196 PolarHBondContact O-NZ 2.99Å; Y185-K196 HydrophobicContact CD2-CB 4.42Å; Y185-K196 HydrophobicContact CD2-CG 4.29Å; Y185-K196 HydrophobicContact CE2-CB 4Å; Y185-K196 HydrophobicContact CE2-CG 3.94Å; K196-H199 PolarHBondContact O-CE1 3.25Å; K196-H199 PolarHBondContact O-ND1 2.85Å
197R91.9Very high91.6Very high127 Ų12766.7 Ų66.748%0.47933%0.333SS..THydrogen-bonded Turntrans-78.8-18.8175.966.2-178.7179.5-176.1-1.1114.6H195H195-R197 HydrophobicContact CB-CG 4.01Å; H195-R197 PolarHBondContact O-N 3.45Å
198C92.6Very high90.6Very high10 Ų1067.6 Ų67.67%0.06834%0.343CS..THydrogen-bonded Turntrans-93.9-22.5-173.1-70.30000113.3M172 V194 H195 A200 K201 V202M172-C198 HydrophobicContact CB-CB 3.94Å; M172-C198 HydrophobicContact CG-CB 4.36Å; V194-C198 HydrophobicContact CB-CB 4.19Å; H195-C198 HydrophobicContact CB-CB 4Å; H195-C198 PolarHBondContact O-N 3.2Å; C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.49Å; C198-K201 PolarHBondContact O-N 3.25Å; C198-V202 PolarHBondContact O-N 2.71Å
199H92.3Very high89.3Confident30 Ų3065 Ų6514%0.13934%0.335CS..G310 helixtrans-55.6-42.8-176.978.2-55.3000113.3H152 I154 F159 Y185 V194 H195 K196 K201 V202H152-H199 AromaticContact ND1-NE2 3.7Å; I154-H199 VanDerWaalsContact CD1-C 3.41Å; I154-H199 HydrophobicContact CD1-CB 3.99Å; I154-H199 WeakPolarHBondContact CD1-CD2 3.3Å; I154-H199 VanDerWaalsContact CD1-O 3.24Å; I154-H199 WeakPolarHBondContact CD1-O 3.16Å; F159-H199 HydrophobicContact CD2-CB 4.26Å; F159-H199 HydrophobicContact CE2-CB 4.5Å; Y185-H199 HydrophobicContact CD2-CB 3.75Å; Y185-H199 AromaticContact CD2-CG 3.66Å; Y185-H199 HydrophobicContact CE2-CB 4.42Å; Y185-H199 AromaticContact CE2-CD2 3.93Å; Y185-H199 AromaticContact CE2-CG 3.83Å; Y185-H199 AromaticContact CE2-ND1 3.86Å; Y185-H199 HydrophobicContact CG-CB 4.44Å; V194-H199 HydrophobicContact CG2-CB 3.67Å; H195-H199 PolarHBondContact O-N 3.47Å; H195-H199 VanDerWaalsContact O-N 3.15Å; K196-H199 PolarHBondContact O-CE1 3.25Å; K196-H199 PolarHBondContact O-ND1 2.85Å; H199-K201 PolarHBondContact O-N 3.25Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 VanDerWaalsContact O-CG2 3.27Å; H199-V202 WeakPolarHBondContact O-CG2 3.49Å; H199-V202 PolarHBondContact O-N 3.46Å
200A91.7Very high87.6Confident72 Ų7267 Ų6760%0.59537%0.365SS*.G310 helixtrans-63.7-22.517700000114.2C198C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.49Å
201K91.9Very high85.9Confident148 Ų14874.2 Ų74.264%0.64339%0.386SS*.G310 helixtrans-92.5-2.6-178.1-58.5-175.4-178.7-173.80112.7M172 C198 H199 L203M172-K201 HydrophobicContact CE-CB 4.33Å; M172-K201 WeakPolarHBondContact CE-O 3.44Å; C198-K201 PolarHBondContact O-N 3.25Å; H199-K201 PolarHBondContact O-N 3.25Å; K201-L203 PolarHBondContact O-N 3.12Å
202V89.3Confident84Confident0 Ų070.6 Ų70.60%038%0.378CS..  trans-59.2119.8-177176.20000110.5I154 R155 F159 M172 V194 C198 H199I154-V202 HydrophobicContact CG2-CB 4.5Å; R155-V202 WeakPolarHBondContact CD-O 3.32Å; R155-V202 PolarHBondContact NE-O 3.14Å; F159-V202 HydrophobicContact CE2-CG2 4.13Å; F159-V202 HydrophobicContact CZ-CG2 4.01Å; M172-V202 HydrophobicContact CG-CB 4.37Å; M172-V202 HydrophobicContact CG-CG2 3.51Å; M172-V202 WeakPolarHBondContact SD-CA 3.36Å; M172-V202 HydrophobicContact SD-CB 4.05Å; M172-V202 HydrophobicContact SD-CG1 4.28Å; M172-V202 HydrophobicContact SD-CG2 3.81Å; V194-V202 HydrophobicContact CG1-CG2 3.91Å; C198-V202 PolarHBondContact O-N 2.71Å; H199-V202 WeakPolarHBondContact O-CB 3.34Å; H199-V202 VanDerWaalsContact O-CG2 3.27Å; H199-V202 WeakPolarHBondContact O-CG2 3.49Å; H199-V202 PolarHBondContact O-N 3.46Å
203L88.6Confident81.7Confident119 Ų11974.8 Ų74.862%0.62340%0.403SS*.  trans-93.1-32.9-178.6-62.5-176.8000113.1R155 K201R155-L203 WeakPolarHBondContact CD-O 3.25Å; R155-L203 PolarHBondContact NH1-O 3.43Å; R155-L203 VanDerWaalsContact NH2-CD2 3.33Å; K201-L203 PolarHBondContact O-N 3.12Å
204S87.5Confident79.5Confident67 Ų6781.8 Ų81.847%0.46943%0.432SS..SBendtrans-69.4147.1179.3490000111.7H157H157-S204 PolarHBondContact NE2-O 3.2Å
205R89.9Confident77.3Confident213 Ų21389.5 Ų89.580%0.80447%0.468SS*.PPolyproline II helixtrans-84.5150.4169.6-67.8-176.8179.6-173.3-0.1109.5R155 P207R155-R205 HydrophobicContact CB-CG 4.5Å; R155-R205 WeakPolarHBondContact O-CA 3.22Å; R205-P207 WeakPolarHBondContact O-CD 3.42Å
206C91.1Very high75Confident10 Ų1095.1 Ų95.17%0.06850%0.504CS..PPolyproline II helixtrans-68.1122.4178.2-171.60000110.6R155 G156 H157 G208 A209R155-C206 PolarHBondContact O-N 3.13Å; R155-C206 VanDerWaalsContact O-N 3.12Å; G156-C206 VanDerWaalsContact C-CB 3.42Å; G156-C206 VanDerWaalsContact O-CB 3.25Å; G156-C206 WeakPolarHBondContact O-CB 3.42Å; H157-C206 HydrophobicContact CB-CB 4.37Å; H157-C206 VanDerWaalsContact CE1-CA 3.49Å; H157-C206 WeakPolarHBondContact CE1-CA 3.47Å; H157-C206 WeakPolarHBondContact NE2-CA 3.4Å; H157-C206 PolarHBondContact NE2-N 3.16Å; C206-G208 PolarHBondContact O-N 2.76Å; C206-A209 HydrophobicContact CB-CB 3.99Å; C206-A209 PolarHBondContact O-N 3.41Å
207P86.7Confident72.6Confident115 Ų11599 Ų9975%0.74753%0.526SS*.THydrogen-bonded Turntrans-66.3-22.2-178.426.2-34.8000112.9C190 R205C190-P207 HydrophobicContact CB-CG 3.76Å; R205-P207 WeakPolarHBondContact O-CD 3.42Å
208G73.1Confident70.2Confident20 Ų2099.2 Ų99.221%0.20654%0.541CS..THydrogen-bonded Turntrans-1016.2-179.500000114.7V189 C206 G210 W211V189-G208 VanDerWaalsContact CG1-C 3.47Å; V189-G208 WeakPolarHBondContact CG1-O 3.21Å; C206-G208 PolarHBondContact O-N 2.76Å; G208-G210 PolarHBondContact O-N 2.91Å; G208-W211 PolarHBondContact O-NE1 3.16Å
209A64.8Low67.6Low43 Ų43104.1 Ų104.136%0.35557%0.571SS.*G310 helixtrans-71.3-3.6178.800000113.6C206 W211C206-A209 HydrophobicContact CB-CB 3.99Å; C206-A209 PolarHBondContact O-N 3.41Å; A209-W211 PolarHBondContact O-N 3.19Å; A209-W211 VanDerWaalsContact O-N 3.16Å
210G57.1Low65.1Low82 Ų82114 Ų11485%0.84562%0.623SS**G310 helixtrans-71.42.5-177.700000116.6G208G208-G210 PolarHBondContact O-N 2.91Å
211W56.5Low63.8Low191 Ų191116.2 Ų116.272%0.72362%0.624SS**G310 helixtrans-134.44.4-176.270.2-83.2000116.4G208 A209G208-W211 PolarHBondContact O-NE1 3.16Å; A209-W211 PolarHBondContact O-N 3.19Å; A209-W211 VanDerWaalsContact O-N 3.16Å
212I51Low62.3Low88 Ų88114.5 Ų114.545%0.45162%0.623SS.*  trans-113.273.1177.9-50.9173.2000109.1V189 K214V189-I212 HydrophobicContact CG2-CD1 4.02Å; I212-K214 PolarHBondContact O-N 3.28Å
213T45.1Very low60.8Low107 Ų107120.8 Ų120.866%0.65666%0.658SS**  trans-65.2119.8157.7330000107.6E215T213-E215 PolarHBondContact O-N 3.17Å
214K49.5Very low59.2Low156 Ų156120.9 Ų120.968%0.67866%0.66SS**  trans-74.438.7170.1-67.8177.5-175.5162.30111.3E153 I212E153-K214 IonicContact OE2-NZ 3.3Å; E153-K214 PolarHBondContact OE2-NZ 3.21Å; I212-K214 PolarHBondContact O-N 3.28Å
215E46.9Very low57.4Low161 Ų161124.3 Ų124.375%0.75267%0.672SS**  trans-114.673.5-179.7-72.9178.5169.300109.1T213T213-E215 PolarHBondContact O-N 3.17Å
216T45Very low55.2Low142 Ų142118.4 Ų118.487%0.87166%0.663SS**  trans-144.464.4149.4-300000108
217M41.6Very low52.7Low178 Ų178126.1 Ų126.188%0.87771%0.706SS**  trans-119.285.8159-81.3-156.4170.300108.2
218V42.7Very low50.1Low131 Ų131127 Ų12779%0.79470%0.702SS**  trans-152.391.2149.7-172.50000103.3
219T36.8Very low48.1Very low114 Ų114135.9 Ų135.970%0.69974%0.744SS**  57.4109.785.1-370000112.3
220I40.6Very low46.6Very low238 Ų238144.4 Ų144.4100%1.22178%0.779SS**  trans72.20168.3-23.6-178.8000116.7

Retrieved 220 of 220 residues in 202.7 ms (Link to these results)