A0A061HZ59_CRIGR Loading...

Ubiquitin-like protein 4A

AlphaFold DB , UniProt , Accession A0A061HZ59, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ubl4a, Length 157 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M85.9Confident83.3Confident48 Ų4870.5 Ų70.524%0.23636%0.356CS..  0157.1057.9174.9-175.800110.6L3 Q16 V17 P18 E19 L56 I61 P63M1-L3 HydrophobicContact CE-CD2 4.33Å; M1-Q16 WeakPolarHBondContact O-CA 3.41Å; M1-V17 CarbonylContact C-O 3.53Å; M1-V17 WeakPolarHBondContact CA-O 3.44Å; M1-V17 HydrophobicContact CE-CG2 4.03Å; M1-V17 WeakPolarHBondContact CG-O 2.93Å; M1-V17 PolarHBondContact N-O 3.49Å; M1-V17 PolarHBondContact O-N 2.72Å; M1-P18 WeakPolarHBondContact CE-O 3.46Å; M1-E19 HydrophobicContact CE-CB 4.12Å; M1-E19 HydrophobicContact SD-CB 3.88Å; M1-L56 HydrophobicContact CE-CB 3.83Å; M1-L56 HydrophobicContact CE-CD1 3.46Å; M1-L56 VanDerWaalsContact CE-CD1 3.46Å; M1-L56 HydrophobicContact CE-CG 4.28Å; M1-I61 HydrophobicContact CE-CG2 4.4Å; M1-I61 VanDerWaalsContact SD-O 3.41Å; M1-P63 HydrophobicContact CB-CB 4.11Å
2Q88Confident83.7Confident98 Ų9875.5 Ų75.546%0.45838%0.378SS..EExtended strand (participates in β ladder)trans-104.6139173.1-178.2174.4-7.500109.2L15 P63 N64Q2-L15 WeakPolarHBondContact CA-O 3.3Å; Q2-P63 CarbonylContact O-C 3.57Å; Q2-N64 WeakPolarHBondContact O-CA 3.45Å; Q2-N64 PolarHBondContact O-N 2.72Å
3L91.4Very high84.1Confident0 Ų070.9 Ų70.90%036%0.357CS..EExtended strand (participates in β ladder)trans-137.6158.6174.759.985000110.5M1 V5 S14 L15 V17 L26 L56 I61 L67M1-L3 HydrophobicContact CE-CD2 4.33Å; L3-V5 HydrophobicContact CD1-CG2 3.63Å; L3-S14 WeakPolarHBondContact O-CA 3.34Å; L3-L15 HydrophobicContact CD1-CB 3.98Å; L3-L15 HydrophobicContact CD1-CD1 4.33Å; L3-L15 HydrophobicContact CG-CB 4.47Å; L3-L15 PolarHBondContact N-O 3.17Å; L3-L15 PolarHBondContact O-N 2.96Å; L3-V17 HydrophobicContact CD2-CG2 3.37Å; L3-V17 HydrophobicContact CG-CG2 4.15Å; L3-L26 HydrophobicContact CD1-CD1 3.86Å; L3-L26 HydrophobicContact CD2-CD1 3.72Å; L3-L26 HydrophobicContact CG-CD1 4.34Å; L3-L56 HydrophobicContact CD2-CD1 4.31Å; L3-I61 HydrophobicContact CD2-CG2 4.44Å; L3-L67 HydrophobicContact CB-CD1 4.12Å; L3-L67 HydrophobicContact CD1-CD1 3.97Å; L3-L67 HydrophobicContact CD2-CD1 4.35Å; L3-L67 HydrophobicContact CG-CD1 4.38Å
4T91.1Very high84.6Confident25 Ų2570.6 Ų70.615%0.15337%0.365CS..EExtended strand (participates in β ladder)trans-115.3128.8179.2-50.70000109.5E12 C13 S65 K66 L67T4-E12 HydrophobicContact CG2-CB 4.32Å; T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.3Å; T4-S65 PolarHBondContact N-O 2.78Å; T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.38Å; T4-L67 PolarHBondContact O-N 2.8Å
5V91.4Very high84.9Confident0 Ų066.6 Ų66.60%034%0.344CS..EExtended strand (participates in β ladder)trans-107.8119.2174.2-176.10000108.4L3 E12 C13 L15 V30 L43 L67 L69L3-V5 HydrophobicContact CD1-CG2 3.63Å; V5-E12 CarbonylContact O-C 3.5Å; V5-E12 VanDerWaalsContact O-CA 3.28Å; V5-E12 WeakPolarHBondContact O-CA 3.37Å; V5-C13 PolarHBondContact N-O 2.76Å; V5-C13 PolarHBondContact O-N 2.96Å; V5-L15 HydrophobicContact CG2-CD1 3.99Å; V5-V30 HydrophobicContact CB-CG2 4.36Å; V5-V30 HydrophobicContact CG1-CG1 4.46Å; V5-V30 HydrophobicContact CG1-CG2 4.18Å; V5-V30 HydrophobicContact CG2-CG2 3.89Å; V5-L43 HydrophobicContact CG1-CD2 3.84Å; V5-L67 WeakPolarHBondContact CA-O 3.47Å; V5-L67 HydrophobicContact CG2-CB 4.36Å; V5-L69 HydrophobicContact CG1-CB 3.77Å
6K90Very high85.2Confident108 Ų10873.1 Ų73.147%0.4737%0.372SS..EExtended strand (participates in β ladder)trans-103.8116.9178.1-173.3177.5-176.9176.90110L67 N68 L69K6-L67 PolarHBondContact N-O 2.82Å; K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.36Å; K6-L69 PolarHBondContact O-N 3.36Å
7A85.6Confident85.4Confident10 Ų1069.2 Ų69.28%0.08335%0.353CS..EExtended strand (participates in β ladder)trans-80.2152170.800000111.4Q9 G10 R11 L34 L69A7-Q9 PolarHBondContact O-N 2.99Å; A7-Q9 VanDerWaalsContact O-N 3.15Å; A7-G10 PolarHBondContact O-N 3.37Å; A7-G10 VanDerWaalsContact O-N 3.13Å; A7-R11 HydrophobicContact CB-CB 4.28Å; A7-R11 WeakPolarHBondContact CB-O 3.42Å; A7-R11 PolarHBondContact N-O 2.6Å; A7-L34 HydrophobicContact CB-CD1 4.33Å; A7-L69 HydrophobicContact CB-CB 4.45Å; A7-L69 HydrophobicContact CB-CD2 4.29Å
8L72Confident85.5Confident132 Ų13269.2 Ų69.269%0.69136%0.358SS*.THydrogen-bonded Turntrans-57.3-26.7176.7-75.3174.5000113.9G10 L69 V70L8-G10 PolarHBondContact O-N 2.86Å; L8-G10 VanDerWaalsContact O-N 3.15Å; L8-L69 PolarHBondContact N-O 3.12Å; L8-V70 HydrophobicContact CD1-CB 4.18Å; L8-V70 HydrophobicContact CD1-CG1 3.92Å; L8-V70 HydrophobicContact CD1-CG2 3.91Å; L8-V70 HydrophobicContact CG-CG2 4.27Å
9Q68.6Low85.4Confident147 Ų14772.4 Ų72.469%0.68737%0.371SS*.THydrogen-bonded Turntrans-7915.3178.8-64.4175.73.400113.5A7 R11A7-Q9 PolarHBondContact O-N 2.99Å; A7-Q9 VanDerWaalsContact O-N 3.15Å; Q9-R11 PolarHBondContact O-N 3.4Å
10G72.4Confident85.4Confident55 Ų5573 Ų7357%0.56738%0.375SS*.SBendtrans75.5-0.5-17800000114.8A7 L8A7-G10 PolarHBondContact O-N 3.37Å; A7-G10 VanDerWaalsContact O-N 3.13Å; L8-G10 PolarHBondContact O-N 2.86Å; L8-G10 VanDerWaalsContact O-N 3.15Å
11R79.9Confident85.6Confident152 Ų15272.3 Ų72.357%0.57437%0.371SS*.  trans-77.3131.1173.4-63.2-176.6179.8-172.7-0.7110A7 Q9 L34A7-R11 HydrophobicContact CB-CB 4.28Å; A7-R11 WeakPolarHBondContact CB-O 3.42Å; A7-R11 PolarHBondContact N-O 2.6Å; Q9-R11 PolarHBondContact O-N 3.4Å; R11-L34 HydrophobicContact CB-CD2 4.29Å
12E88.3Confident85.8Confident131 Ų13173.2 Ų73.261%0.61238%0.376SS*.EExtended strand (participates in β ladder)trans-124.3144.7172.161.1-176.984.400110.8T4 V5T4-E12 HydrophobicContact CG2-CB 4.32Å; V5-E12 CarbonylContact O-C 3.5Å; V5-E12 VanDerWaalsContact O-CA 3.28Å; V5-E12 WeakPolarHBondContact O-CA 3.37Å
13C88.1Confident85.9Confident16 Ų1668.5 Ų68.511%0.10835%0.354CS..EExtended strand (participates in β ladder)trans-131.1143.3172.265.10000110.3T4 V5 K33 L34T4-C13 CarbonylContact C-O 3.59Å; T4-C13 WeakPolarHBondContact CA-O 3.3Å; V5-C13 PolarHBondContact N-O 2.76Å; V5-C13 PolarHBondContact O-N 2.96Å; C13-K33 HydrophobicContact CB-CB 4.26Å; C13-L34 HydrophobicContact CB-CD2 4.08Å; C13-L34 HydrophobicContact CB-CG 4.41Å
14S91.1Very high85.9Confident67 Ų6770.2 Ų70.247%0.46937%0.366SS..EExtended strand (participates in β ladder)trans-97130.8170.9-70.50000109.3L3L3-S14 WeakPolarHBondContact O-CA 3.34Å
15L89.9Confident85.8Confident10 Ų1071.2 Ų71.25%0.05237%0.372CS..EExtended strand (participates in β ladder)trans-122.8143.7179.8-60.6175.5000109.9Q2 L3 V5 L26 L29 V30 K33Q2-L15 WeakPolarHBondContact CA-O 3.3Å; L3-L15 HydrophobicContact CD1-CB 3.98Å; L3-L15 HydrophobicContact CD1-CD1 4.33Å; L3-L15 HydrophobicContact CG-CB 4.47Å; L3-L15 PolarHBondContact N-O 3.17Å; L3-L15 PolarHBondContact O-N 2.96Å; V5-L15 HydrophobicContact CG2-CD1 3.99Å; L15-L26 HydrophobicContact CD1-CD1 4.25Å; L15-L29 HydrophobicContact CD1-CB 4.14Å; L15-L29 HydrophobicContact CD2-CB 4.22Å; L15-V30 HydrophobicContact CD1-CB 4.49Å; L15-V30 HydrophobicContact CD1-CG2 3.46Å; L15-V30 VanDerWaalsContact CD1-CG2 3.46Å; L15-K33 HydrophobicContact CD2-CB 4.45Å; L15-K33 HydrophobicContact CD2-CG 3.68Å
16Q89.4Confident85.7Confident171 Ų17171.2 Ų71.280%0.79937%0.372SS*.EExtended strand (participates in β ladder)trans-109.9112175.9-163.7172.313.100108.5M1M1-Q16 WeakPolarHBondContact O-CA 3.41Å
17V88Confident85.7Confident7 Ų766.9 Ų66.94%0.04235%0.353CS..  trans-139.3153.4-177.8-64.60000110.3M1 L3 L26 L29 L56M1-V17 CarbonylContact C-O 3.53Å; M1-V17 WeakPolarHBondContact CA-O 3.44Å; M1-V17 HydrophobicContact CE-CG2 4.03Å; M1-V17 WeakPolarHBondContact CG-O 2.93Å; M1-V17 PolarHBondContact N-O 3.49Å; M1-V17 PolarHBondContact O-N 2.72Å; L3-V17 HydrophobicContact CD2-CG2 3.37Å; L3-V17 HydrophobicContact CG-CG2 4.15Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; V17-L26 HydrophobicContact CG2-CD1 3.96Å; V17-L29 HydrophobicContact CG1-CD1 3.31Å; V17-L56 HydrophobicContact CB-CD1 4.48Å; V17-L56 HydrophobicContact CG2-CD1 3.65Å
18P88.2Confident85.9Confident69 Ų6972.2 Ų72.245%0.44838%0.376SS..  trans-74.6156.5172.325.2-23.5000111.6M1 D20 E21M1-P18 WeakPolarHBondContact CE-O 3.46Å; P18-D20 VanDerWaalsContact C-N 3.25Å; P18-D20 PolarHBondContact O-N 3.12Å; P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.35Å; P18-E21 VanDerWaalsContact CG-OE2 3.3Å; P18-E21 WeakPolarHBondContact CG-OE2 3.3Å; P18-E21 VanDerWaalsContact O-CB 3.3Å; P18-E21 WeakPolarHBondContact O-CB 3.26Å; P18-E21 PolarHBondContact O-N 2.99Å
19E82.8Confident86.7Confident129 Ų12968.9 Ų68.960%0.60336%0.359SS*.THydrogen-bonded Turntrans-66.6-26.1-179.363.5-170.678.600114.3M1 E21 S57M1-E19 HydrophobicContact CE-CB 4.12Å; M1-E19 HydrophobicContact SD-CB 3.88Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E19-S57 WeakPolarHBondContact O-CB 3.23Å; E19-S57 PolarHBondContact O-N 3.09Å
20D85.8Confident87.6Confident84 Ų8461.9 Ų61.945%0.44933%0.326SS..THydrogen-bonded Turntrans-90.92-177.4-157.4-127.5000112.9P18 R55P18-D20 VanDerWaalsContact C-N 3.25Å; P18-D20 PolarHBondContact O-N 3.12Å; D20-R55 IonicContact OD1-CZ 3.4Å; D20-R55 IonicContact OD1-NH1 2.6Å; D20-R55 PolarHBondContact OD1-NH1 3.42Å; D20-R55 IonicContact OD1-NH2 3.75Å; D20-R55 IonicContact OD2-CZ 3.69Å; D20-R55 IonicContact OD2-NH1 2.72Å; D20-R55 PolarHBondContact OD2-NH1 2.94Å
21E89.3Confident88.3Confident60 Ų6060.9 Ų60.928%0.2831%0.31SS..  trans-71.1155.2-178.6-156.559.9-152.700111.9P18 E19 T25 R55 L56P18-E21 HydrophobicContact CG-CB 3.94Å; P18-E21 HydrophobicContact CG-CG 4.35Å; P18-E21 VanDerWaalsContact CG-OE2 3.3Å; P18-E21 WeakPolarHBondContact CG-OE2 3.3Å; P18-E21 VanDerWaalsContact O-CB 3.3Å; P18-E21 WeakPolarHBondContact O-CB 3.26Å; P18-E21 PolarHBondContact O-N 2.99Å; E19-E21 VanDerWaalsContact C-N 3.3Å; E21-T25 HydrophobicContact CG-CG2 4Å; E21-T25 WeakPolarHBondContact OE1-CB 3.37Å; E21-T25 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T25 PolarHBondContact OE1-OG1 3.39Å; E21-R55 WeakPolarHBondContact O-CA 3.5Å; E21-L56 HydrophobicContact CB-CD1 4.24Å; E21-L56 PolarHBondContact O-N 3.47Å
22L90.8Very high88.6Confident66 Ų6658.9 Ų58.935%0.34631%0.311SS..BIsolated β-bridgetrans-77.8148.8175-67.1169.9000111.9S24 T25 L26 R55L22-S24 WeakPolarHBondContact CB-OG 3.4Å; L22-S24 PolarHBondContact O-N 3.33Å; L22-T25 PolarHBondContact O-N 2.91Å; L22-L26 PolarHBondContact O-N 3.19Å; L22-R55 HydrophobicContact CD2-CG 3.91Å
23V90.6Very high88.5Confident0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-60.6-29.8171171.30000111.2L26 K27 L50 T51 K54 L56 Y59V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.17Å; V23-K27 PolarHBondContact O-N 3.27Å; V23-L50 HydrophobicContact CB-CB 4.5Å; V23-L50 HydrophobicContact CG1-CB 3.66Å; V23-L50 HydrophobicContact CG2-CB 3.97Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; V23-T51 VanDerWaalsContact CB-O 3.3Å; V23-T51 WeakPolarHBondContact CB-O 3.38Å; V23-K54 VanDerWaalsContact CG2-O 3.28Å; V23-K54 WeakPolarHBondContact CG2-O 3.41Å; V23-K54 PolarHBondContact N-O 2.84Å; V23-K54 VanDerWaalsContact N-O 3.09Å; V23-L56 HydrophobicContact CG2-CD2 3.98Å; V23-Y59 HydrophobicContact CG2-CD2 4.49Å; V23-Y59 HydrophobicContact CG2-CE2 4.34Å
24S90Very high88.2Confident36 Ų3658.8 Ų58.825%0.25231%0.307SS..Hα-helixtrans-59.5-49.2175.164.10000112.1L22 L26 K27 H28 D52L22-S24 WeakPolarHBondContact CB-OG 3.4Å; L22-S24 PolarHBondContact O-N 3.33Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.48Å; S24-K27 PolarHBondContact O-N 3.11Å; S24-H28 PolarHBondContact O-CD2 3.26Å; S24-H28 VanDerWaalsContact O-CD2 3.27Å; S24-H28 PolarHBondContact O-N 3.15Å; S24-H28 VanDerWaalsContact O-N 3.11Å; S24-D52 PolarHBondContact N-O 3.35Å
25T89.5Confident87.7Confident46 Ų4662.4 Ų62.428%0.28232%0.321SS..Hα-helixtrans-59.1-42.4175.9-49.20000110.8E21 L22 K27 H28 L29E21-T25 HydrophobicContact CG-CG2 4Å; E21-T25 WeakPolarHBondContact OE1-CB 3.37Å; E21-T25 WeakPolarHBondContact OE1-CG2 3.28Å; E21-T25 PolarHBondContact OE1-OG1 3.39Å; L22-T25 PolarHBondContact O-N 2.91Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.42Å; T25-H28 WeakPolarHBondContact O-CB 3.38Å; T25-H28 PolarHBondContact O-N 3.17Å; T25-H28 VanDerWaalsContact O-N 3.15Å; T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 PolarHBondContact O-N 3.26Å
26L89.8Confident87.4Confident0 Ų062.9 Ų62.90%033%0.325CS..Hα-helixtrans-58.2-45.7177.3-170.580.6000111.6L3 L15 V17 L22 V23 S24 H28 L29 V30 L43 L56 L67L3-L26 HydrophobicContact CD1-CD1 3.86Å; L3-L26 HydrophobicContact CD2-CD1 3.72Å; L3-L26 HydrophobicContact CG-CD1 4.34Å; L15-L26 HydrophobicContact CD1-CD1 4.25Å; V17-L26 HydrophobicContact CG1-CD1 4.02Å; V17-L26 HydrophobicContact CG2-CD1 3.96Å; L22-L26 PolarHBondContact O-N 3.19Å; V23-L26 WeakPolarHBondContact O-CB 3.47Å; V23-L26 PolarHBondContact O-N 3.17Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.48Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.49Å; L26-L43 HydrophobicContact CD2-CD1 3.56Å; L26-L43 HydrophobicContact CG-CD1 4.19Å; L26-L56 HydrophobicContact CD1-CD1 4.39Å; L26-L56 HydrophobicContact CD2-CD2 3.94Å; L26-L67 HydrophobicContact CD2-CD2 3.67Å
27K89.6Confident87.2Confident16 Ų1657.7 Ų57.77%0.0731%0.306CS..Hα-helixtrans-63.6-36177.3-69.5-175.4-172.4172.70112.5V23 S24 T25 V30 S31 V38 Q41 L43 D52V23-K27 PolarHBondContact O-N 3.27Å; S24-K27 PolarHBondContact O-N 3.11Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 3.42Å; K27-V30 PolarHBondContact O-N 3.09Å; K27-S31 WeakPolarHBondContact O-CB 3.45Å; K27-S31 PolarHBondContact O-N 2.93Å; K27-V38 HydrophobicContact CB-CB 4.4Å; K27-V38 HydrophobicContact CB-CG1 3.75Å; K27-V38 HydrophobicContact CB-CG2 4.18Å; K27-V38 HydrophobicContact CD-CG1 3.87Å; K27-V38 HydrophobicContact CG-CG1 4.5Å; K27-Q41 VanDerWaalsContact CA-OE1 3.31Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 PolarHBondContact O-NE2 2.78Å; K27-Q41 PolarHBondContact O-OE1 3.34Å; K27-L43 HydrophobicContact CG-CD1 3.62Å; K27-L43 HydrophobicContact CG-CG 4.26Å; K27-D52 VanDerWaalsContact CD-OD1 3.26Å; K27-D52 WeakPolarHBondContact CD-OD1 3.14Å; K27-D52 VanDerWaalsContact CE-OD1 3.23Å; K27-D52 WeakPolarHBondContact CE-OD1 3.4Å; K27-D52 IonicContact NZ-OD1 2.72Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å
28H89.2Confident87.1Confident122 Ų12258.9 Ų58.957%0.56531%0.313SS*.Hα-helixtrans-61.8-45.1173.8-82-73.9000111.9S24 T25 L26 V30 S31 D32S24-H28 PolarHBondContact O-CD2 3.26Å; S24-H28 VanDerWaalsContact O-CD2 3.27Å; S24-H28 PolarHBondContact O-N 3.15Å; S24-H28 VanDerWaalsContact O-N 3.11Å; T25-H28 WeakPolarHBondContact O-CB 3.38Å; T25-H28 PolarHBondContact O-N 3.17Å; T25-H28 VanDerWaalsContact O-N 3.15Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 3.01Å; H28-V30 PolarHBondContact O-N 3.41Å; H28-S31 WeakPolarHBondContact O-CA 3.41Å; H28-S31 VanDerWaalsContact O-CB 3.23Å; H28-S31 WeakPolarHBondContact O-CB 3.23Å; H28-S31 PolarHBondContact O-N 3.37Å; H28-S31 VanDerWaalsContact O-N 3.09Å; H28-D32 PolarHBondContact O-N 3.29Å
29L89.9Confident86.8Confident63 Ų6366.4 Ų66.433%0.3333%0.333SS..Hα-helixtrans-64-40.3176.1-69.7167.4000112.4L15 V17 T25 L26 S31 D32 K33L15-L29 HydrophobicContact CD1-CB 4.14Å; L15-L29 HydrophobicContact CD2-CB 4.22Å; V17-L29 HydrophobicContact CG1-CD1 3.31Å; T25-L29 HydrophobicContact CG2-CD1 4.41Å; T25-L29 PolarHBondContact O-N 3.26Å; L26-L29 PolarHBondContact O-N 3.28Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.39Å; L29-D32 PolarHBondContact O-N 3.24Å; L29-K33 WeakPolarHBondContact O-CG 3.28Å; L29-K33 PolarHBondContact O-N 3.07Å; L29-K33 VanDerWaalsContact O-N 3.07Å
30V88Confident87Confident0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-61.9-37.4172.6173.50000110.9V5 L15 L26 K27 H28 K33 L34 Q41 L69V5-V30 HydrophobicContact CB-CG2 4.36Å; V5-V30 HydrophobicContact CG1-CG1 4.46Å; V5-V30 HydrophobicContact CG1-CG2 4.18Å; V5-V30 HydrophobicContact CG2-CG2 3.89Å; L15-V30 HydrophobicContact CD1-CB 4.49Å; L15-V30 HydrophobicContact CD1-CG2 3.46Å; L15-V30 VanDerWaalsContact CD1-CG2 3.46Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.49Å; K27-V30 PolarHBondContact O-N 3.09Å; H28-V30 PolarHBondContact O-N 3.41Å; V30-K33 PolarHBondContact O-N 3.04Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 PolarHBondContact O-N 3.48Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.29Å; V30-L69 HydrophobicContact CG1-CD2 3.75Å
31S86.8Confident87Confident33 Ų3359.3 Ų59.323%0.23130%0.297CS..Hα-helixtrans-62.7-43.8177-170.20000111.4K27 H28 L29 N35 V36 Q41K27-S31 WeakPolarHBondContact O-CB 3.45Å; K27-S31 PolarHBondContact O-N 2.93Å; H28-S31 WeakPolarHBondContact O-CA 3.41Å; H28-S31 VanDerWaalsContact O-CB 3.23Å; H28-S31 WeakPolarHBondContact O-CB 3.23Å; H28-S31 PolarHBondContact O-N 3.37Å; H28-S31 VanDerWaalsContact O-N 3.09Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 3.39Å; S31-N35 WeakPolarHBondContact O-CA 3.2Å; S31-N35 PolarHBondContact O-N 3.04Å; S31-V36 VanDerWaalsContact CA-O 3.27Å; S31-V36 WeakPolarHBondContact CA-O 3.49Å; S31-V36 VanDerWaalsContact CB-O 3.3Å; S31-V36 WeakPolarHBondContact CB-O 3.42Å; S31-V36 PolarHBondContact OG-O 3.28Å; S31-Q41 VanDerWaalsContact CA-NE2 3.35Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å
32D86.1Confident87Confident111 Ų11162 Ų6259%0.59430%0.304SS*.Hα-helixtrans-64.2-43.4178-171.3-98.4000111.8H28 L29H28-D32 PolarHBondContact O-N 3.29Å; L29-D32 PolarHBondContact O-N 3.24Å
33K84.8Confident87Confident125 Ų12558.9 Ų58.954%0.54329%0.288SS..Hα-helixtrans-80.4-37.3-176.6-63.9-53.2-179.3-159.60114.7C13 L15 L29 V30C13-K33 HydrophobicContact CB-CB 4.26Å; L15-K33 HydrophobicContact CD2-CB 4.45Å; L15-K33 HydrophobicContact CD2-CG 3.68Å; L29-K33 WeakPolarHBondContact O-CG 3.28Å; L29-K33 PolarHBondContact O-N 3.07Å; L29-K33 VanDerWaalsContact O-N 3.07Å; V30-K33 PolarHBondContact O-N 3.04Å
34L82.3Confident87Confident19 Ų1960.8 Ų60.810%0.09930%0.298CS..Hα-helixtrans-104-3.7-175.6-63-178.5000113.3A7 R11 C13 V30 V36 L69A7-L34 HydrophobicContact CB-CD1 4.33Å; R11-L34 HydrophobicContact CB-CD2 4.29Å; C13-L34 HydrophobicContact CB-CD2 4.08Å; C13-L34 HydrophobicContact CB-CG 4.41Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 HydrophobicContact CG1-CG 4.44Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 PolarHBondContact O-N 3.48Å; L34-V36 HydrophobicContact CB-CG2 4.05Å; L34-V36 PolarHBondContact O-N 2.71Å; L34-L69 HydrophobicContact CD1-CD2 3.59Å
35N81.8Confident87Confident143 Ų14359.8 Ų59.877%0.76529%0.289SS*.  trans55.232.6-174.6-68.8-80.3000113.2S31S31-N35 WeakPolarHBondContact O-CA 3.2Å; S31-N35 PolarHBondContact O-N 3.04Å
36V82.8Confident86.9Confident21 Ų2166 Ų6613%0.12731%0.312CS..  trans-104.9124.2177.4-177.70000109.3S31 L34 V38 Q40 Q41 L69 V71S31-V36 VanDerWaalsContact CA-O 3.27Å; S31-V36 WeakPolarHBondContact CA-O 3.49Å; S31-V36 VanDerWaalsContact CB-O 3.3Å; S31-V36 WeakPolarHBondContact CB-O 3.42Å; S31-V36 PolarHBondContact OG-O 3.28Å; L34-V36 HydrophobicContact CB-CG2 4.05Å; L34-V36 PolarHBondContact O-N 2.71Å; V36-V38 PolarHBondContact O-N 3.07Å; V36-Q40 HydrophobicContact CG1-CB 4.29Å; V36-Q41 HydrophobicContact CB-CG 4.09Å; V36-Q41 HydrophobicContact CG1-CG 3.64Å; V36-Q41 PolarHBondContact O-NE2 2.91Å; V36-L69 HydrophobicContact CG2-CD2 4.44Å; V36-V71 HydrophobicContact CG1-CG1 3.97Å; V36-V71 HydrophobicContact CG1-CG2 3.9Å; V36-V71 HydrophobicContact CG2-CG2 4.17Å
37P85.1Confident86.6Confident61 Ų6169.3 Ų69.340%0.39635%0.347SS..  trans-57.7134178.3-19.227.4000112.5R39 Q40 Q41P37-R39 PolarHBondContact O-N 2.96Å; P37-Q40 HydrophobicContact CB-CB 4.48Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 HydrophobicContact CG-CG 4.34Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.09Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 3.32Å
38V85.6Confident86.4Confident33 Ų3375.5 Ų75.520%0.237%0.374CS..G310 helixtrans-47-39178.6174.30000113.2K27 V36 Q40 Q41K27-V38 HydrophobicContact CB-CB 4.4Å; K27-V38 HydrophobicContact CB-CG1 3.75Å; K27-V38 HydrophobicContact CB-CG2 4.18Å; K27-V38 HydrophobicContact CD-CG1 3.87Å; K27-V38 HydrophobicContact CG-CG1 4.5Å; V36-V38 PolarHBondContact O-N 3.07Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.89Å; V38-Q41 WeakPolarHBondContact O-CB 3.47Å; V38-Q41 PolarHBondContact O-N 2.72Å
39R82.4Confident86.4Confident226 Ų22672 Ų7285%0.85337%0.366SS*.G310 helixtrans-67-28.7179.4-58.7-172.9-170.5-170.62.8113.7P37 L74P37-R39 PolarHBondContact O-N 2.96Å; R39-L74 HydrophobicContact CB-CD1 3.87Å
40Q85.8Confident86.3Confident57 Ų5769.5 Ų69.527%0.26635%0.353SS..G310 helixtrans-86.9-15.5176.5-66.4-177.5-23.300112.1V36 P37 V38 R42 V71 K72 L74V36-Q40 HydrophobicContact CG1-CB 4.29Å; P37-Q40 HydrophobicContact CB-CB 4.48Å; P37-Q40 HydrophobicContact CB-CG 4.31Å; P37-Q40 HydrophobicContact CG-CG 4.34Å; P37-Q40 WeakPolarHBondContact O-CA 3.42Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 PolarHBondContact O-N 3.09Å; V38-Q40 VanDerWaalsContact C-N 3.31Å; V38-Q40 PolarHBondContact O-N 2.89Å; Q40-R42 PolarHBondContact O-N 3.32Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; Q40-K72 WeakPolarHBondContact CB-O 3.47Å; Q40-K72 WeakPolarHBondContact CG-O 3.47Å; Q40-K72 PolarHBondContact O-N 3.1Å; Q40-L74 HydrophobicContact CG-CB 4.31Å; Q40-L74 HydrophobicContact CG-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CG 4.43Å
41Q87.2Confident86.3Confident7 Ų772 Ų723%0.03337%0.368CS..EExtended strand (participates in β ladder)trans-79.5119.7-178.6-63.9178.433.700111.6K27 V30 S31 V36 P37 V38 L69K27-Q41 VanDerWaalsContact CA-OE1 3.31Å; K27-Q41 HydrophobicContact CD-CB 4.46Å; K27-Q41 PolarHBondContact O-NE2 2.78Å; K27-Q41 PolarHBondContact O-OE1 3.34Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.29Å; S31-Q41 VanDerWaalsContact CA-NE2 3.35Å; S31-Q41 VanDerWaalsContact N-NE2 3.19Å; V36-Q41 HydrophobicContact CB-CG 4.09Å; V36-Q41 HydrophobicContact CG1-CG 3.64Å; V36-Q41 PolarHBondContact O-NE2 2.91Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 3.32Å; V38-Q41 WeakPolarHBondContact O-CB 3.47Å; V38-Q41 PolarHBondContact O-N 2.72Å; Q41-L69 HydrophobicContact CB-CD1 3.58Å; Q41-L69 HydrophobicContact CG-CD1 3.77Å
42R89.3Confident86.3Confident116 Ų11673.4 Ų73.444%0.43837%0.373SS..EExtended strand (participates in β ladder)trans-111.9106164-179174.1-94.1-170.8-11.9108.7Q40 L44 V70 K72Q40-R42 PolarHBondContact O-N 3.32Å; R42-L44 HydrophobicContact CG-CD1 4.1Å; R42-L44 HydrophobicContact CG-CG 4.48Å; R42-L44 WeakPolarHBondContact O-CD1 3.27Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.3Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 3.03Å; R42-K72 VanDerWaalsContact NE-CE 3.34Å; R42-K72 VanDerWaalsContact NH1-CE 3.27Å
43L90.1Very high86.3Confident1 Ų176.2 Ų76.21%0.00538%0.382CS..EExtended strand (participates in β ladder)trans-85.3134.1174.8-65.6174.9000110.2V5 L26 K27 L50 N68 L69V5-L43 HydrophobicContact CG1-CD2 3.84Å; L26-L43 HydrophobicContact CD2-CD1 3.56Å; L26-L43 HydrophobicContact CG-CD1 4.19Å; K27-L43 HydrophobicContact CG-CD1 3.62Å; K27-L43 HydrophobicContact CG-CG 4.26Å; L43-L50 HydrophobicContact CB-CB 4.3Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.33Å; L43-L50 PolarHBondContact O-N 3.16Å; L43-N68 CarbonylContact C-O 3.55Å; L43-N68 WeakPolarHBondContact CA-O 3.28Å; L43-L69 HydrophobicContact CD2-CB 4.06Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å; L43-L69 HydrophobicContact CG-CD1 4.43Å
44L90.8Very high86.4Confident40 Ų4075 Ų7521%0.20938%0.377CS..EExtended strand (participates in β ladder)trans-126.6135.1177.5-56.396.2000110.7R42 K48 N68 V70R42-L44 HydrophobicContact CG-CD1 4.1Å; R42-L44 HydrophobicContact CG-CG 4.48Å; R42-L44 WeakPolarHBondContact O-CD1 3.27Å; L44-K48 CarbonylContact C-O 3.57Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.43Å; L44-N68 HydrophobicContact CB-CB 4.48Å; L44-N68 PolarHBondContact N-O 2.93Å; L44-N68 PolarHBondContact O-N 3.18Å; L44-V70 HydrophobicContact CD1-CB 4.02Å; L44-V70 HydrophobicContact CD1-CG2 3.41Å; L44-V70 VanDerWaalsContact CD1-CG2 3.41Å
45F89.9Confident86.8Confident16 Ų1679.1 Ų79.17%0.0739%0.391CS..EExtended strand (participates in β ladder)trans-126.9125172.4-176.9-116.9000109.5G47 K48 L50 Y59 I61 L67F45-G47 PolarHBondContact O-N 3.4Å; F45-G47 VanDerWaalsContact O-N 3.13Å; F45-K48 PolarHBondContact N-O 2.84Å; F45-K48 PolarHBondContact O-N 3.42Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.47Å; F45-Y59 WeakPolarHBondContact CE1-O 3.35Å; F45-I61 HydrophobicContact CB-CD1 4.44Å; F45-I61 HydrophobicContact CD1-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.44Å; F45-I61 HydrophobicContact CE1-CG1 3.81Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 3.96Å; F45-I61 HydrophobicContact CZ-CG1 4.29Å; F45-L67 HydrophobicContact CD2-CG 4.39Å
46K86.9Confident87.1Confident175 Ų17572.3 Ų72.376%0.76136%0.355SS*.THydrogen-bonded Turntrans48.439.6-176.3-62-178.9175.21770113.5K48K46-K48 PolarHBondContact O-N 3.2Å
47G83.3Confident87.3Confident70 Ų7073.5 Ų73.572%0.72236%0.364SS*.THydrogen-bonded Turntrans78.1-4.5-178.400000115.5F45F45-G47 PolarHBondContact O-N 3.4Å; F45-G47 VanDerWaalsContact O-N 3.13Å
48K86.8Confident87.5Confident147 Ų14775.3 Ų75.364%0.63937%0.371SS*.EExtended strand (participates in β ladder)trans-93.5130.6175-66.5-177.2177.4179.50110.5L44 F45 K46L44-K48 CarbonylContact C-O 3.57Å; L44-K48 VanDerWaalsContact CA-O 3.27Å; L44-K48 WeakPolarHBondContact CA-O 3.43Å; F45-K48 PolarHBondContact N-O 2.84Å; F45-K48 PolarHBondContact O-N 3.42Å; K46-K48 PolarHBondContact O-N 3.2Å
49A88Confident87.5Confident48 Ų4875.3 Ų75.340%0.39737%0.367SS..EExtended strand (participates in β ladder)trans-70.7133.1171.300000109.9Y59A49-Y59 PolarHBondContact O-OH 2.88Å
50L88.6Confident87.7Confident11 Ų1170.9 Ų70.96%0.05836%0.36CS..PPolyproline II helixtrans-81.8139.1175.2-55.3-175.4000109.8V23 L43 F45 Y59 I61 L67V23-L50 HydrophobicContact CB-CB 4.5Å; V23-L50 HydrophobicContact CG1-CB 3.66Å; V23-L50 HydrophobicContact CG2-CB 3.97Å; V23-L50 HydrophobicContact CG2-CD1 4.31Å; L43-L50 HydrophobicContact CB-CB 4.3Å; L43-L50 HydrophobicContact CB-CD1 4.04Å; L43-L50 HydrophobicContact CB-CG 4.33Å; L43-L50 PolarHBondContact O-N 3.16Å; F45-L50 HydrophobicContact CB-CD2 4.02Å; F45-L50 HydrophobicContact CB-CG 4.47Å; L50-Y59 HydrophobicContact CB-CE2 4.4Å; L50-Y59 HydrophobicContact CD2-CD1 3.54Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.43Å; L50-Y59 VanDerWaalsContact CD2-CG 3.43Å; L50-I61 HydrophobicContact CD1-CD1 3.76Å; L50-I61 HydrophobicContact CD2-CD1 4.01Å; L50-L67 HydrophobicContact CD1-CD2 3.49Å; L50-L67 VanDerWaalsContact CD1-CD2 3.49Å
51T88.3Confident87.8Confident53 Ų5368.4 Ų68.433%0.32535%0.349SS..  trans-107.7138.3-179.8-320000108.7V23 E53 K54 Y59V23-T51 VanDerWaalsContact CB-O 3.3Å; V23-T51 WeakPolarHBondContact CB-O 3.38Å; T51-E53 HydrophobicContact CG2-CG 3.73Å; T51-E53 PolarHBondContact O-N 3.01Å; T51-E53 VanDerWaalsContact O-N 3.17Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-K54 VanDerWaalsContact O-N 3.12Å; T51-Y59 PolarHBondContact N-OH 3.29Å; T51-Y59 VanDerWaalsContact N-OH 3.1Å; T51-Y59 PolarHBondContact OG1-OH 3.13Å
52D85.8Confident87.7Confident62 Ų6269.2 Ų69.233%0.33236%0.359SS..THydrogen-bonded Turntrans-58.6-29.4-173.3-58.7-90.5000114S24 K27 K54S24-D52 PolarHBondContact N-O 3.35Å; K27-D52 VanDerWaalsContact CD-OD1 3.26Å; K27-D52 WeakPolarHBondContact CD-OD1 3.14Å; K27-D52 VanDerWaalsContact CE-OD1 3.23Å; K27-D52 WeakPolarHBondContact CE-OD1 3.4Å; K27-D52 IonicContact NZ-OD1 2.72Å; K27-D52 PolarHBondContact NZ-OD1 2.73Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 2.87Å; D52-K54 VanDerWaalsContact C-N 3.34Å
53E86.5Confident87.5Confident169 Ų16968 Ų6879%0.7937%0.366SS*.THydrogen-bonded Turntrans-83.1-5.6-177.121.1178.269.900113.7T51T51-E53 HydrophobicContact CG2-CG 3.73Å; T51-E53 PolarHBondContact O-N 3.01Å; T51-E53 VanDerWaalsContact O-N 3.17Å
54K87.6Confident87.3Confident101 Ų10173.6 Ų73.644%0.43940%0.396SS..SBendtrans-106154.2179.4-79.6-177.4175.7-177.90112.2V23 T51 D52 Y59V23-K54 VanDerWaalsContact CG2-O 3.28Å; V23-K54 WeakPolarHBondContact CG2-O 3.41Å; V23-K54 PolarHBondContact N-O 2.84Å; V23-K54 VanDerWaalsContact N-O 3.09Å; T51-K54 PolarHBondContact O-N 3.29Å; T51-K54 VanDerWaalsContact O-N 3.12Å; D52-K54 VanDerWaalsContact C-N 3.34Å; K54-Y59 HydrophobicContact CB-CD2 4.24Å; K54-Y59 HydrophobicContact CB-CE2 3.47Å; K54-Y59 VanDerWaalsContact CB-CE2 3.47Å; K54-Y59 HydrophobicContact CD-CE2 3.77Å; K54-Y59 HydrophobicContact CG-CE2 4.26Å
55R90.9Very high87.3Confident105 Ų10572.5 Ų72.540%0.39639%0.392SS..BIsolated β-bridgetrans-86159.9177.3-64.4176.6167.8-148-16.4111.3D20 E21 L22 S57 D58 Y59D20-R55 IonicContact OD1-CZ 3.4Å; D20-R55 IonicContact OD1-NH1 2.6Å; D20-R55 PolarHBondContact OD1-NH1 3.42Å; D20-R55 IonicContact OD1-NH2 3.75Å; D20-R55 IonicContact OD2-CZ 3.69Å; D20-R55 IonicContact OD2-NH1 2.72Å; D20-R55 PolarHBondContact OD2-NH1 2.94Å; E21-R55 WeakPolarHBondContact O-CA 3.5Å; L22-R55 HydrophobicContact CD2-CG 3.91Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.44Å; R55-D58 WeakPolarHBondContact CB-OD2 3.27Å; R55-D58 PolarHBondContact N-OD2 2.86Å; R55-D58 WeakPolarHBondContact O-CB 3.5Å; R55-D58 PolarHBondContact O-N 2.84Å; R55-Y59 WeakPolarHBondContact O-CD2 3.3Å
56L88Confident87.3Confident0 Ų079.1 Ų79.10%042%0.421CS..THydrogen-bonded Turntrans-64.8-36.1176-61.1175.3000111.5M1 L3 V17 E21 V23 L26 D58 Y59 N60 I61M1-L56 HydrophobicContact CE-CB 3.83Å; M1-L56 HydrophobicContact CE-CD1 3.46Å; M1-L56 VanDerWaalsContact CE-CD1 3.46Å; M1-L56 HydrophobicContact CE-CG 4.28Å; L3-L56 HydrophobicContact CD2-CD1 4.31Å; V17-L56 HydrophobicContact CB-CD1 4.48Å; V17-L56 HydrophobicContact CG2-CD1 3.65Å; E21-L56 HydrophobicContact CB-CD1 4.24Å; E21-L56 PolarHBondContact O-N 3.47Å; V23-L56 HydrophobicContact CG2-CD2 3.98Å; L26-L56 HydrophobicContact CD1-CD1 4.39Å; L26-L56 HydrophobicContact CD2-CD2 3.94Å; L56-D58 PolarHBondContact O-N 2.91Å; L56-Y59 PolarHBondContact O-N 2.84Å; L56-Y59 VanDerWaalsContact O-N 3.17Å; L56-N60 PolarHBondContact O-N 2.93Å; L56-I61 HydrophobicContact CB-CB 4.18Å; L56-I61 HydrophobicContact CB-CD1 4.37Å; L56-I61 HydrophobicContact CD2-CD1 3.71Å; L56-I61 WeakPolarHBondContact O-CB 3.48Å; L56-I61 PolarHBondContact O-N 3.27Å; L56-I61 VanDerWaalsContact O-N 3.07Å
57S87.1Confident87.5Confident45 Ų4570.8 Ų70.832%0.31539%0.385SS..G310 helixtrans-59.5-39173.752.20000113.3E19 R55 Y59 N60E19-S57 WeakPolarHBondContact O-CB 3.23Å; E19-S57 PolarHBondContact O-N 3.09Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.44Å; S57-Y59 PolarHBondContact O-N 2.83Å; S57-N60 WeakPolarHBondContact O-CA 3.48Å; S57-N60 PolarHBondContact O-N 3.46Å
58D88Confident87.9Confident100 Ų10071.3 Ų71.354%0.53537%0.371SS..G310 helixtrans-59.1-31.3175.6-71.3-57000112.6R55 L56 N60R55-D58 WeakPolarHBondContact CB-OD2 3.27Å; R55-D58 PolarHBondContact N-OD2 2.86Å; R55-D58 WeakPolarHBondContact O-CB 3.5Å; R55-D58 PolarHBondContact O-N 2.84Å; L56-D58 PolarHBondContact O-N 2.91Å; D58-N60 VanDerWaalsContact C-N 3.33Å
59Y86Confident88Confident33 Ų3364.3 Ų64.313%0.12934%0.34CS..G310 helixtrans-91.45.5177.7-71.8-78.8000113.4V23 F45 A49 L50 T51 K54 R55 L56 S57 I61V23-Y59 HydrophobicContact CG2-CD2 4.49Å; V23-Y59 HydrophobicContact CG2-CE2 4.34Å; F45-Y59 WeakPolarHBondContact CE1-O 3.35Å; A49-Y59 PolarHBondContact O-OH 2.88Å; L50-Y59 HydrophobicContact CB-CE2 4.4Å; L50-Y59 HydrophobicContact CD2-CD1 3.54Å; L50-Y59 HydrophobicContact CD2-CD2 3.56Å; L50-Y59 HydrophobicContact CD2-CE1 3.73Å; L50-Y59 HydrophobicContact CD2-CE2 3.74Å; L50-Y59 HydrophobicContact CD2-CG 3.43Å; L50-Y59 VanDerWaalsContact CD2-CG 3.43Å; T51-Y59 PolarHBondContact N-OH 3.29Å; T51-Y59 VanDerWaalsContact N-OH 3.1Å; T51-Y59 PolarHBondContact OG1-OH 3.13Å; K54-Y59 HydrophobicContact CB-CD2 4.24Å; K54-Y59 HydrophobicContact CB-CE2 3.47Å; K54-Y59 VanDerWaalsContact CB-CE2 3.47Å; K54-Y59 HydrophobicContact CD-CE2 3.77Å; K54-Y59 HydrophobicContact CG-CE2 4.26Å; R55-Y59 WeakPolarHBondContact O-CD2 3.3Å; L56-Y59 PolarHBondContact O-N 2.84Å; L56-Y59 VanDerWaalsContact O-N 3.17Å; S57-Y59 PolarHBondContact O-N 2.83Å; Y59-I61 PolarHBondContact O-N 2.89Å
60N87Confident87.9Confident133 Ų13364.1 Ų64.171%0.71133%0.334SS*.THydrogen-bonded Turntrans53.340-174.7-62.1-97.9000111.6L56 S57 D58 G62L56-N60 PolarHBondContact O-N 2.93Å; S57-N60 WeakPolarHBondContact O-CA 3.48Å; S57-N60 PolarHBondContact O-N 3.46Å; D58-N60 VanDerWaalsContact C-N 3.33Å; N60-G62 PolarHBondContact O-N 2.89Å
61I86.8Confident87.7Confident4 Ų466 Ų662%0.02135%0.346CS..  trans-83.2105.7176.7-62.2168.6000107.3M1 L3 F45 L50 L56 Y59 L67M1-I61 HydrophobicContact CE-CG2 4.4Å; M1-I61 VanDerWaalsContact SD-O 3.41Å; L3-I61 HydrophobicContact CD2-CG2 4.44Å; F45-I61 HydrophobicContact CB-CD1 4.44Å; F45-I61 HydrophobicContact CD1-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CG1 3.64Å; F45-I61 HydrophobicContact CD2-CG1 4.44Å; F45-I61 HydrophobicContact CE1-CG1 3.81Å; F45-I61 HydrophobicContact CG-CD1 4.38Å; F45-I61 HydrophobicContact CG-CG1 3.96Å; F45-I61 HydrophobicContact CZ-CG1 4.29Å; L50-I61 HydrophobicContact CD1-CD1 3.76Å; L50-I61 HydrophobicContact CD2-CD1 4.01Å; L56-I61 HydrophobicContact CB-CB 4.18Å; L56-I61 HydrophobicContact CB-CD1 4.37Å; L56-I61 HydrophobicContact CD2-CD1 3.71Å; L56-I61 WeakPolarHBondContact O-CB 3.48Å; L56-I61 PolarHBondContact O-N 3.27Å; L56-I61 VanDerWaalsContact O-N 3.07Å; Y59-I61 PolarHBondContact O-N 2.89Å; I61-L67 HydrophobicContact CD1-CD2 4.44Å; I61-L67 HydrophobicContact CG2-CD1 4.38Å
62G85.3Confident87.2Confident24 Ų2467.5 Ų67.525%0.24735%0.348CS..  trans-97.5-177.2178.900000113.7N60 S65N60-G62 PolarHBondContact O-N 2.89Å; G62-S65 PolarHBondContact N-OG 2.88Å; G62-S65 VanDerWaalsContact N-OG 3.09Å; G62-S65 WeakPolarHBondContact O-CB 3.44Å; G62-S65 PolarHBondContact O-N 2.79Å; G62-S65 PolarHBondContact O-OG 2.86Å
63P85.9Confident86Confident90 Ų9070.5 Ų70.558%0.58437%0.371SS*.THydrogen-bonded Turntrans-59.6143.8172.926.7-33.8000111.5M1 Q2 S65M1-P63 HydrophobicContact CB-CB 4.11Å; Q2-P63 CarbonylContact O-C 3.57Å; P63-S65 PolarHBondContact O-N 3.03Å
64N86.1Confident84.5Confident119 Ų11967.2 Ų67.264%0.63636%0.358SS*.THydrogen-bonded Turntrans6317.4-176.4-51.4-49.6000114.8Q2Q2-N64 WeakPolarHBondContact O-CA 3.45Å; Q2-N64 PolarHBondContact O-N 2.72Å
65S89.9Confident82.5Confident18 Ų1870.6 Ų70.613%0.12638%0.375CS..EExtended strand (participates in β ladder)trans-67.3141.4174.1-67.70000111.4T4 G62 P63T4-S65 PolarHBondContact N-O 2.78Å; G62-S65 PolarHBondContact N-OG 2.88Å; G62-S65 VanDerWaalsContact N-OG 3.09Å; G62-S65 WeakPolarHBondContact O-CB 3.44Å; G62-S65 PolarHBondContact O-N 2.79Å; G62-S65 PolarHBondContact O-OG 2.86Å; P63-S65 PolarHBondContact O-N 3.03Å
66K90.9Very high80.2Confident154 Ų15475.1 Ų75.167%0.6740%0.398SS*.EExtended strand (participates in β ladder)trans-104.1121.4175.8-63.2-172.6179.3-174.60110.7T4T4-K66 CarbonylContact O-C 3.58Å; T4-K66 WeakPolarHBondContact O-CA 3.38Å
67L91.4Very high77.7Confident1 Ų181 Ų811%0.00543%0.434CS..EExtended strand (participates in β ladder)trans-106.4147.2175.2-6581.2000109.8L3 T4 V5 K6 L26 F45 L50 I61L3-L67 HydrophobicContact CB-CD1 4.12Å; L3-L67 HydrophobicContact CD1-CD1 3.97Å; L3-L67 HydrophobicContact CD2-CD1 4.35Å; L3-L67 HydrophobicContact CG-CD1 4.38Å; T4-L67 PolarHBondContact O-N 2.8Å; V5-L67 WeakPolarHBondContact CA-O 3.47Å; V5-L67 HydrophobicContact CG2-CB 4.36Å; K6-L67 PolarHBondContact N-O 2.82Å; L26-L67 HydrophobicContact CD2-CD2 3.67Å; F45-L67 HydrophobicContact CD2-CG 4.39Å; L50-L67 HydrophobicContact CD1-CD2 3.49Å; L50-L67 VanDerWaalsContact CD1-CD2 3.49Å; I61-L67 HydrophobicContact CD1-CD2 4.44Å; I61-L67 HydrophobicContact CG2-CD1 4.38Å
68N90.6Very high75.9Confident81 Ų8185.4 Ų85.443%0.43345%0.453SS..EExtended strand (participates in β ladder)trans-102.9129.9174.4-64.5-86000109.3K6 L43 L44K6-N68 CarbonylContact O-C 3.56Å; K6-N68 WeakPolarHBondContact O-CA 3.36Å; L43-N68 CarbonylContact C-O 3.55Å; L43-N68 WeakPolarHBondContact CA-O 3.28Å; L44-N68 HydrophobicContact CB-CB 4.48Å; L44-N68 PolarHBondContact N-O 2.93Å; L44-N68 PolarHBondContact O-N 3.18Å
69L89.3Confident73.9Confident0 Ų087.3 Ų87.30%046%0.462CS..EExtended strand (participates in β ladder)trans-102118173.617467.1000109.6V5 K6 A7 L8 V30 L34 V36 Q41 L43 V71V5-L69 HydrophobicContact CG1-CB 3.77Å; K6-L69 PolarHBondContact O-N 3.36Å; A7-L69 HydrophobicContact CB-CB 4.45Å; A7-L69 HydrophobicContact CB-CD2 4.29Å; L8-L69 PolarHBondContact N-O 3.12Å; V30-L69 HydrophobicContact CG1-CD2 3.75Å; L34-L69 HydrophobicContact CD1-CD2 3.59Å; V36-L69 HydrophobicContact CG2-CD2 4.44Å; Q41-L69 HydrophobicContact CB-CD1 3.58Å; Q41-L69 HydrophobicContact CG-CD1 3.77Å; L43-L69 HydrophobicContact CD2-CB 4.06Å; L43-L69 HydrophobicContact CD2-CD1 3.79Å; L43-L69 HydrophobicContact CG-CD1 4.43Å; L69-V71 HydrophobicContact CG-CG2 4.48Å
70V86.6Confident72Confident43 Ų4393.5 Ų93.526%0.26149%0.492SS..EExtended strand (participates in β ladder)trans-103.1120.7169.6177.50000107.7L8 R42 L44L8-V70 HydrophobicContact CD1-CB 4.18Å; L8-V70 HydrophobicContact CD1-CG1 3.92Å; L8-V70 HydrophobicContact CD1-CG2 3.91Å; L8-V70 HydrophobicContact CG-CG2 4.27Å; R42-V70 HydrophobicContact CB-CB 4.32Å; R42-V70 WeakPolarHBondContact CB-O 3.3Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 3.03Å; L44-V70 HydrophobicContact CD1-CB 4.02Å; L44-V70 HydrophobicContact CD1-CG2 3.41Å; L44-V70 VanDerWaalsContact CD1-CG2 3.41Å
71V83.8Confident70Confident50 Ų5095.4 Ų95.430%0.30350%0.497SS..EExtended strand (participates in β ladder)trans-86.4119.1173.4-1730000107.5V36 Q40 L69V36-V71 HydrophobicContact CG1-CG1 3.97Å; V36-V71 HydrophobicContact CG1-CG2 3.9Å; V36-V71 HydrophobicContact CG2-CG2 4.17Å; Q40-V71 HydrophobicContact CB-CG1 4.18Å; Q40-V71 WeakPolarHBondContact O-CA 3.42Å; L69-V71 HydrophobicContact CG-CG2 4.48Å
72K77Confident67.5Low86 Ų8698.5 Ų98.537%0.37453%0.53SS..PPolyproline II helixtrans-87.7127.7169.2-70.7-172.9179179.10109.2Q40 R42 L74Q40-K72 WeakPolarHBondContact CB-O 3.47Å; Q40-K72 WeakPolarHBondContact CG-O 3.47Å; Q40-K72 PolarHBondContact O-N 3.1Å; R42-K72 VanDerWaalsContact NE-CE 3.34Å; R42-K72 VanDerWaalsContact NH1-CE 3.27Å; K72-L74 PolarHBondContact O-N 3.42Å
73P60.4Low65.2Low125 Ų125103 Ų10381%0.81256%0.558SS**  trans-61.8110.1161.4-5.319.6000106.3E75P73-E75 PolarHBondContact O-N 3.24Å; P73-E75 VanDerWaalsContact O-N 3.12Å
74L54.7Low62.9Low100 Ų100102.7 Ų102.752%0.52456%0.562SS.*  trans-70.7105.3164.3-103.2156.6000105.4R39 Q40 K72 K76R39-L74 HydrophobicContact CB-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CB 4.31Å; Q40-L74 HydrophobicContact CG-CD1 3.87Å; Q40-L74 HydrophobicContact CG-CG 4.43Å; K72-L74 PolarHBondContact O-N 3.42Å; L74-K76 PolarHBondContact O-N 2.89Å
75E45.6Very low60.7Low171 Ų171105.9 Ų105.980%0.79957%0.573SS**  trans-48132162.1-167.6121.981.100107.8P73 V77P73-E75 PolarHBondContact O-N 3.24Å; P73-E75 VanDerWaalsContact O-N 3.12Å; E75-V77 PolarHBondContact O-N 2.82Å
76K43.3Very low58.7Low201 Ų201116 Ų11687%0.87461%0.609SS**  trans-55.998.1-178.3-74.6174.7175.4175.90110.2L74L74-K76 PolarHBondContact O-N 2.89Å
77V36.6Very low56.3Low123 Ų123116.5 Ų116.575%0.74562%0.618SS**  trans-127.683.3156.5-175.20000104.8E75E75-V77 PolarHBondContact O-N 2.82Å
78L49.5Very low53.8Low138 Ų138123.5 Ų123.572%0.72366%0.66SS**  66.4111.2104.5-68.9173.4000112.7
79L44.3Very low51.3Low140 Ų140127.1 Ų127.173%0.73368%0.679SS**  trans68115.9142.1-57167.6000118.4
80E46Very low48.6Very low163 Ų163131.3 Ų131.376%0.76271%0.709SS**  trans70.3143.4131.2-70.7-156.8126.400119.3
81E46.5Very low46.5Very low173 Ų173133.7 Ų133.781%0.80873%0.725SS**  cis-155.2165.1-7.1-85.8-1408900106.6
82G34.3Very low44.6Very low68 Ų68136.6 Ų136.670%0.70175%0.745SS**  trans162.361.9168.300000116.6
83S37.5Very low43.4Very low120 Ų120136 Ų13684%0.83975%0.749SS**  trans38.9128.1142.357.30000120
84A37.4Very low43.9Very low82 Ų82133.8 Ų133.868%0.67874%0.735SS**  cis-166.8144.929.700000108.6
85H40.1Very low45.1Very low187 Ų187134 Ų13487%0.86674%0.737SS**  -160.7139.259.9-98.270.2000111
86R46.3Very low46.9Very low231 Ų231128.5 Ų128.587%0.87271%0.708SS**  trans-43.4145.3169-70.3163.8165.7162.9-4.4113.3
87L41.6Very low48.6Very low164 Ų164124.2 Ų124.286%0.85969%0.691SS**SBend-162.3153.264-71.4162.8000110.6
88V37.9Very low50.8Low147 Ų147122.8 Ų122.889%0.89168%0.679SS**  trans90.462.5-172.1-166.60000113.1S90V88-S90 PolarHBondContact O-N 3.29Å
89D37.9Very low52.5Low158 Ų158118.1 Ų118.185%0.84565%0.654SS**  trans-80.1104163.9-165.5-91.7000109.2
90S32.8Very low54.3Low88 Ų88112.8 Ų112.862%0.61563%0.629SS**  trans-147.9126.5133.9-177.80000104.3V88V88-S90 PolarHBondContact O-N 3.29Å
91P43.5Very low56Low92 Ų92112 Ų11260%0.59762%0.623SS**PPolyproline II helixtrans-51.4133.4161.423.3-30.1000105.9
92P43.7Very low57.9Low112 Ų112107.4 Ų107.473%0.72761%0.607SS**PPolyproline II helixtrans-50.8126.9171.221.8-30.7000105P94P92-P94 VanDerWaalsContact O-N 3.14Å
93P51.9Low60.3Low72 Ų72105.4 Ų105.447%0.46858%0.58SS.*PPolyproline II helixtrans-48.9133.4-178.518.9-30.4000106.1L95 Q97P93-L95 PolarHBondContact O-N 3.41Å; P93-Q97 HydrophobicContact CB-CB 4.41Å
94P71.6Confident62.6Low79 Ų79102.6 Ų102.651%0.51356%0.564SS.*  trans-44.3127.6178.3-20.924.6000106.3P92 W96 Q97 L98P92-P94 VanDerWaalsContact O-N 3.14Å; P94-W96 CarbonylContact O-C 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å; P94-Q97 HydrophobicContact CB-CB 4.35Å; P94-Q97 HydrophobicContact CB-CG 3.9Å; P94-Q97 HydrophobicContact CG-CB 4.32Å; P94-Q97 HydrophobicContact CG-CG 3.62Å; P94-Q97 WeakPolarHBondContact O-CA 3.35Å; P94-Q97 VanDerWaalsContact O-CB 3.3Å; P94-Q97 WeakPolarHBondContact O-CB 3.36Å; P94-Q97 PolarHBondContact O-N 3.49Å; P94-L98 PolarHBondContact O-N 3.47Å
95L79.3Confident64.9Low106 Ų106108.1 Ų108.156%0.55557%0.567SS**Hα-helixtrans-43.6-37.8-175.2173.765.7000111.3P93 L98 I99P93-L95 PolarHBondContact O-N 3.41Å; L95-L98 PolarHBondContact O-N 2.65Å; L95-I99 HydrophobicContact CD1-CD1 4.13Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.77Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.25Å; L95-I99 PolarHBondContact O-N 2.86Å
96W82.9Confident67.1Low54 Ų54106.5 Ų106.521%0.20556%0.56CS.*Hα-helixtrans-61.8-34.9173.6-53128.5000115.7P94 I99 S100 L116 L119 Q120 Y123P94-W96 CarbonylContact O-C 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.57Å; W96-S100 WeakPolarHBondContact O-CB 3.39Å; W96-S100 PolarHBondContact O-N 3.28Å; W96-L116 HydrophobicContact CB-CD1 4.15Å; W96-L116 HydrophobicContact CE3-CD1 4.12Å; W96-L116 WeakPolarHBondContact O-CD1 3.1Å; W96-L119 HydrophobicContact CE3-CD2 4.47Å; W96-L119 HydrophobicContact CH2-CG 4.39Å; W96-L119 HydrophobicContact CZ3-CD2 3.74Å; W96-L119 HydrophobicContact CZ3-CG 3.84Å; W96-Q120 HydrophobicContact CZ2-CG 4.46Å; W96-Y123 HydrophobicContact CH2-CD1 4.34Å; W96-Y123 HydrophobicContact CH2-CG 4.05Å; W96-Y123 AromaticContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CE1 4.43Å; W96-Y123 HydrophobicContact CZ2-CG 4.06Å
97Q79.6Confident69Low111 Ų111100.5 Ų100.552%0.51954%0.54SS..Hα-helixtrans-68-38.2170.5-68.7-63.8-53.100112.2P93 P94 S100 K101P93-Q97 HydrophobicContact CB-CB 4.41Å; P94-Q97 HydrophobicContact CB-CB 4.35Å; P94-Q97 HydrophobicContact CB-CG 3.9Å; P94-Q97 HydrophobicContact CG-CB 4.32Å; P94-Q97 HydrophobicContact CG-CG 3.62Å; P94-Q97 WeakPolarHBondContact O-CA 3.35Å; P94-Q97 VanDerWaalsContact O-CB 3.3Å; P94-Q97 WeakPolarHBondContact O-CB 3.36Å; P94-Q97 PolarHBondContact O-N 3.49Å; Q97-S100 PolarHBondContact O-N 3.17Å; Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.28Å
98L83.4Confident71.1Confident93 Ų9395.4 Ų95.449%0.48752%0.518SS..Hα-helixtrans-67.4-45.1174.5-173.764.5000110.7P94 L95 S100 K101 V102P94-L98 PolarHBondContact O-N 3.47Å; L95-L98 PolarHBondContact O-N 2.65Å; L98-S100 VanDerWaalsContact C-N 3.34Å; L98-S100 PolarHBondContact O-N 3.16Å; L98-K101 PolarHBondContact O-N 2.76Å; L98-V102 WeakPolarHBondContact O-CG2 3.4Å; L98-V102 PolarHBondContact O-N 3.13Å
99I83.7Confident72.8Confident40 Ų4094.2 Ų94.221%0.20551%0.511CS..Hα-helixtrans-61-44.5174.7-67.5165.9000110.3L95 W96 K101 V102 L103 L116 L119L95-I99 HydrophobicContact CD1-CD1 4.13Å; L95-I99 HydrophobicContact CD1-CG1 4.5Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.77Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.25Å; L95-I99 PolarHBondContact O-N 2.86Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.57Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.21Å; I99-V102 PolarHBondContact O-N 3.15Å; I99-V102 VanDerWaalsContact O-N 3.16Å; I99-L103 HydrophobicContact CG2-CD1 3.76Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.32Å; I99-L116 HydrophobicContact CB-CD1 4.29Å; I99-L116 HydrophobicContact CG2-CD1 3.95Å; I99-L119 HydrophobicContact CD1-CD2 4.31Å; I99-L119 HydrophobicContact CG2-CD2 4.01Å
100S81.8Confident74.6Confident29 Ų2989.8 Ų89.820%0.20350%0.496CS..Hα-helixtrans-58.6-43.8175.3-178.70000111.7W96 Q97 L98 V102 L103 A104W96-S100 WeakPolarHBondContact O-CB 3.39Å; W96-S100 PolarHBondContact O-N 3.28Å; Q97-S100 PolarHBondContact O-N 3.17Å; L98-S100 VanDerWaalsContact C-N 3.34Å; L98-S100 PolarHBondContact O-N 3.16Å; S100-V102 VanDerWaalsContact C-N 3.31Å; S100-V102 PolarHBondContact O-N 3Å; S100-L103 PolarHBondContact O-N 2.91Å; S100-A104 VanDerWaalsContact O-CB 3.25Å; S100-A104 WeakPolarHBondContact O-CB 3.48Å; S100-A104 PolarHBondContact O-N 3.2Å
101K82.3Confident76.9Confident145 Ų14588.8 Ų88.863%0.6348%0.484SS*.Hα-helixtrans-63.5-35.6176.5-173.3175.7-177.7176.30112.7Q97 L98 I99Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.28Å; L98-K101 PolarHBondContact O-N 2.76Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.21Å
102V87.3Confident78.6Confident78 Ų7884.7 Ų84.747%0.47346%0.457SS..Hα-helixtrans-71.7-44.8174.6174.20000110.7L98 I99 S100 A104 R105L98-V102 WeakPolarHBondContact O-CG2 3.4Å; L98-V102 PolarHBondContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 3.15Å; I99-V102 VanDerWaalsContact O-N 3.16Å; S100-V102 VanDerWaalsContact C-N 3.31Å; S100-V102 PolarHBondContact O-N 3Å; V102-A104 VanDerWaalsContact C-N 3.35Å; V102-A104 PolarHBondContact O-N 2.84Å; V102-R105 WeakPolarHBondContact O-CB 3.45Å; V102-R105 PolarHBondContact O-N 3.23Å
103L84.8Confident80.1Confident26 Ų2682.2 Ų82.214%0.13644%0.443CS..Hα-helixtrans-62.5-41.1177.7-71.4172.1000111.8I99 S100 R105 H106 F107 T112 V115 L116I99-L103 HydrophobicContact CG2-CD1 3.76Å; I99-L103 HydrophobicContact CG2-CG 4.18Å; I99-L103 WeakPolarHBondContact O-CB 3.29Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.3Å; I99-L103 PolarHBondContact O-N 3.32Å; S100-L103 PolarHBondContact O-N 2.91Å; L103-R105 PolarHBondContact O-N 3.26Å; L103-R105 VanDerWaalsContact O-N 3.08Å; L103-H106 PolarHBondContact O-N 2.81Å; L103-F107 HydrophobicContact CB-CD2 4.41Å; L103-F107 HydrophobicContact CD2-CD2 3.92Å; L103-F107 HydrophobicContact CD2-CE2 3.91Å; L103-F107 WeakPolarHBondContact O-CD2 3.39Å; L103-F107 PolarHBondContact O-N 3.11Å; L103-T112 HydrophobicContact CB-CG2 3.64Å; L103-T112 HydrophobicContact CD1-CG2 4.48Å; L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 3.91Å; L103-V115 HydrophobicContact CD2-CG1 3.98Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD1 4.5Å
104A84.3Confident81.5Confident60 Ų6087 Ų8750%0.49645%0.451SS..THydrogen-bonded Turntrans-63-15.9177.900000113.7S100 V102 H106 T112S100-A104 VanDerWaalsContact O-CB 3.25Å; S100-A104 WeakPolarHBondContact O-CB 3.48Å; S100-A104 PolarHBondContact O-N 3.2Å; V102-A104 VanDerWaalsContact C-N 3.35Å; V102-A104 PolarHBondContact O-N 2.84Å; A104-H106 VanDerWaalsContact C-N 3.34Å; A104-T112 HydrophobicContact CB-CG2 4.42Å
105R86.5Confident82.1Confident199 Ų19986 Ų8675%0.75144%0.444SS*.THydrogen-bonded Turntrans-77.9-18.9172.4-72.1175.1149.5-176.5-7.2113.4V102 L103V102-R105 WeakPolarHBondContact O-CB 3.45Å; V102-R105 PolarHBondContact O-N 3.23Å; L103-R105 PolarHBondContact O-N 3.26Å; L103-R105 VanDerWaalsContact O-N 3.08Å
106H85.9Confident82.3Confident152 Ų15282.1 Ų82.170%0.70442%0.424SS*.THydrogen-bonded Turntrans-124.9-17.1-171.6-66.3-78000114L103 A104L103-H106 PolarHBondContact O-N 2.81Å; A104-H106 VanDerWaalsContact C-N 3.34Å
107F86.1Confident82Confident106 Ų10684.2 Ų84.247%0.46544%0.436SS..SBendtrans-126.5160.3-174.4-66.8-81.4000111.8L103 D111L103-F107 HydrophobicContact CB-CD2 4.41Å; L103-F107 HydrophobicContact CD2-CD2 3.92Å; L103-F107 HydrophobicContact CD2-CE2 3.91Å; L103-F107 WeakPolarHBondContact O-CD2 3.39Å; L103-F107 PolarHBondContact O-N 3.11Å; F107-D111 HydrophobicContact CB-CB 4.12Å; F107-D111 HydrophobicContact CD1-CB 4.32Å
108S85.3Confident82.3Confident57 Ų5784.1 Ų84.140%0.39944%0.435SS..  trans-62.7160.5168.681.90000110.4A110 D111 T112S108-A110 PolarHBondContact O-N 2.93Å; S108-D111 WeakPolarHBondContact CB-OD2 3.18Å; S108-D111 PolarHBondContact O-N 3.4Å; S108-D111 WeakPolarHBondContact OG-CB 3.28Å; S108-D111 PolarHBondContact OG-N 3.08Å; S108-D111 VanDerWaalsContact OG-N 3.07Å; S108-D111 PolarHBondContact OG-OD2 2.94Å; S108-T112 VanDerWaalsContact O-CB 3.3Å; S108-T112 WeakPolarHBondContact O-CB 3.44Å; S108-T112 PolarHBondContact O-N 3.45Å; S108-T112 PolarHBondContact O-OG1 2.88Å
109V74.4Confident82.5Confident122 Ų12283.1 Ų83.174%0.73943%0.43SS*.Hα-helixtrans-58.7-40.2177.6-179.50000110.8S113V109-S113 PolarHBondContact O-N 2.83Å; V109-S113 VanDerWaalsContact O-N 3.11Å; V109-S113 PolarHBondContact O-OG 3.25Å
110A76.1Confident82.4Confident65 Ų6585.8 Ų85.854%0.53744%0.442SS..Hα-helixtrans-66.9-43.8178.300000112.3S108 S113 R114S108-A110 PolarHBondContact O-N 2.93Å; A110-S113 PolarHBondContact O-N 3.15Å; A110-R114 WeakPolarHBondContact O-CG 3.28Å; A110-R114 PolarHBondContact O-N 2.84Å; A110-R114 VanDerWaalsContact O-N 3.1Å
111D80.8Confident82.3Confident66 Ų6690.7 Ų90.735%0.35346%0.456SS..Hα-helixtrans-69.7-37.4178.9-63.7-47.5000111.7F107 S108 S113 R114 V115F107-D111 HydrophobicContact CB-CB 4.12Å; F107-D111 HydrophobicContact CD1-CB 4.32Å; S108-D111 WeakPolarHBondContact CB-OD2 3.18Å; S108-D111 PolarHBondContact O-N 3.4Å; S108-D111 WeakPolarHBondContact OG-CB 3.28Å; S108-D111 PolarHBondContact OG-N 3.08Å; S108-D111 VanDerWaalsContact OG-N 3.07Å; S108-D111 PolarHBondContact OG-OD2 2.94Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.24Å; D111-R114 PolarHBondContact O-N 3.37Å; D111-V115 WeakPolarHBondContact O-CB 3.22Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 2.85Å
112T79.3Confident82.3Confident6 Ų688.2 Ų88.24%0.03745%0.449CS..Hα-helixtrans-57.2-47.6173.6-62.70000110.9L103 A104 S108 L116L103-T112 HydrophobicContact CB-CG2 3.64Å; L103-T112 HydrophobicContact CD1-CG2 4.48Å; A104-T112 HydrophobicContact CB-CG2 4.42Å; S108-T112 VanDerWaalsContact O-CB 3.3Å; S108-T112 WeakPolarHBondContact O-CB 3.44Å; S108-T112 PolarHBondContact O-N 3.45Å; S108-T112 PolarHBondContact O-OG1 2.88Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 PolarHBondContact O-N 3.46Å
113S75.4Confident82.1Confident61 Ų6190.3 Ų90.343%0.42745%0.45SS..Hα-helixtrans-61.1-44.6176.4-65.70000112V109 A110 D111 L116 E117V109-S113 PolarHBondContact O-N 2.83Å; V109-S113 VanDerWaalsContact O-N 3.11Å; V109-S113 PolarHBondContact O-OG 3.25Å; A110-S113 PolarHBondContact O-N 3.15Å; D111-S113 VanDerWaalsContact C-N 3.34Å; D111-S113 PolarHBondContact O-N 3.24Å; S113-L116 PolarHBondContact O-N 3.44Å; S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 WeakPolarHBondContact O-CG 3.44Å; S113-E117 PolarHBondContact O-N 3.22Å
114R81.1Confident81.8Confident171 Ų17193.9 Ų93.965%0.64547%0.469SS*.Hα-helixtrans-65-43.7-179.4-69.1176.574.7-137.50.9112.7A110 D111 Q118A110-R114 WeakPolarHBondContact O-CG 3.28Å; A110-R114 PolarHBondContact O-N 2.84Å; A110-R114 VanDerWaalsContact O-N 3.1Å; D111-R114 PolarHBondContact O-N 3.37Å; R114-Q118 WeakPolarHBondContact O-CB 3.3Å; R114-Q118 PolarHBondContact O-N 2.91Å
115V84.8Confident81.5Confident60 Ų6098.8 Ų98.836%0.36448%0.475SS..Hα-helixtrans-66.6-42177.8173.30000110.4L103 D111 Q118 L119L103-V115 HydrophobicContact CD1-CB 4.31Å; L103-V115 HydrophobicContact CD1-CG1 3.91Å; L103-V115 HydrophobicContact CD2-CG1 3.98Å; D111-V115 WeakPolarHBondContact O-CB 3.22Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.49Å; D111-V115 PolarHBondContact O-N 2.85Å; V115-Q118 PolarHBondContact O-N 3.38Å; V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.62Å
116L82.1Confident81.1Confident24 Ų2492.3 Ų92.313%0.12646%0.46CS..Hα-helixtrans-64-46.6178.4-172.771.1000111.9W96 I99 L103 T112 S113 Q118 L119 Q120W96-L116 HydrophobicContact CB-CD1 4.15Å; W96-L116 HydrophobicContact CE3-CD1 4.12Å; W96-L116 WeakPolarHBondContact O-CD1 3.1Å; I99-L116 HydrophobicContact CB-CD1 4.29Å; I99-L116 HydrophobicContact CG2-CD1 3.95Å; L103-L116 HydrophobicContact CD1-CB 4.39Å; L103-L116 HydrophobicContact CD1-CD1 4.5Å; T112-L116 WeakPolarHBondContact O-CB 3.35Å; T112-L116 PolarHBondContact O-N 3.46Å; S113-L116 PolarHBondContact O-N 3.44Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.01Å; L116-L119 PolarHBondContact O-N 3.07Å; L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 3.1Å
117E77.9Confident80.8Confident98 Ų9889.2 Ų89.246%0.45845%0.448SS..Hα-helixtrans-60.5-42.7175.7-81.3-163.879.600111.9S113 Q120 R121S113-E117 WeakPolarHBondContact O-CB 3.45Å; S113-E117 WeakPolarHBondContact O-CG 3.44Å; S113-E117 PolarHBondContact O-N 3.22Å; E117-Q120 PolarHBondContact O-N 3.02Å; E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH2 2.85Å; E117-R121 PolarHBondContact OE1-NH2 3.36Å
118Q85.3Confident80.3Confident109 Ų10988.5 Ų88.551%0.50946%0.456SS..Hα-helixtrans-66-42.7179.7-172.459.230.300111.6R114 V115 L116 R121 D122R114-Q118 WeakPolarHBondContact O-CB 3.3Å; R114-Q118 PolarHBondContact O-N 2.91Å; V115-Q118 PolarHBondContact O-N 3.38Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; L116-Q118 PolarHBondContact O-N 3.01Å; Q118-R121 PolarHBondContact O-N 2.93Å; Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.37Å
119L86.9Confident80.1Confident72 Ų7295 Ų9538%0.37747%0.472SS..Hα-helixtrans-64-41.6177.3-176.664.5000111.6W96 I99 V115 L116 D122 Y123W96-L119 HydrophobicContact CE3-CD2 4.47Å; W96-L119 HydrophobicContact CH2-CG 4.39Å; W96-L119 HydrophobicContact CZ3-CD2 3.74Å; W96-L119 HydrophobicContact CZ3-CG 3.84Å; I99-L119 HydrophobicContact CD1-CD2 4.31Å; I99-L119 HydrophobicContact CG2-CD2 4.01Å; V115-L119 VanDerWaalsContact O-CB 3.3Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 PolarHBondContact O-N 2.62Å; L116-L119 PolarHBondContact O-N 3.07Å; L119-D122 PolarHBondContact O-N 3.44Å; L119-Y123 WeakPolarHBondContact O-CB 3.39Å; L119-Y123 PolarHBondContact O-N 2.88Å
120Q82.4Confident80.5Confident96 Ų9692.2 Ų92.245%0.44945%0.452SS..Hα-helixtrans-64.8-41.5177.4-172.4177.1-2700111.7W96 L116 E117 Y123 D124W96-Q120 HydrophobicContact CZ2-CG 4.46Å; L116-Q120 WeakPolarHBondContact O-CB 3.32Å; L116-Q120 PolarHBondContact O-N 3.1Å; E117-Q120 PolarHBondContact O-N 3.02Å; Q120-Y123 PolarHBondContact O-N 2.9Å; Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 PolarHBondContact O-N 2.95Å
121R78.6Confident80.9Confident132 Ų13292.4 Ų92.450%0.49845%0.447SS..Hα-helixtrans-65.3-38.8175.2-74-176.4-144.2133.62.5112.7E117 Q118 R125E117-R121 WeakPolarHBondContact O-CG 3.28Å; E117-R121 PolarHBondContact O-N 3.45Å; E117-R121 IonicContact OE1-CZ 3.94Å; E117-R121 IonicContact OE1-NH2 2.85Å; E117-R121 PolarHBondContact OE1-NH2 3.36Å; Q118-R121 PolarHBondContact O-N 2.93Å; R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 3.41Å
122D82.3Confident80.8Confident93 Ų9395.3 Ų95.350%0.49746%0.462SS..Hα-helixtrans-67.3-42.4178.2-167.7-104.7000111.2Q118 L119 R125 S126Q118-D122 WeakPolarHBondContact O-CB 3.45Å; Q118-D122 PolarHBondContact O-N 3.37Å; L119-D122 PolarHBondContact O-N 3.44Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-S126 VanDerWaalsContact O-CB 3.31Å; D122-S126 WeakPolarHBondContact O-CB 3.28Å; D122-S126 PolarHBondContact O-N 3.34Å
123Y84.2Confident80.9Confident121 Ų12199.9 Ų99.948%0.47549%0.486SS..Hα-helixtrans-60.5-46.7174.8-175.2-100.7000112.2W96 L119 Q120 R125 S126 L127W96-Y123 HydrophobicContact CH2-CD1 4.34Å; W96-Y123 HydrophobicContact CH2-CG 4.05Å; W96-Y123 AromaticContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CD1 3.87Å; W96-Y123 HydrophobicContact CZ2-CE1 4.43Å; W96-Y123 HydrophobicContact CZ2-CG 4.06Å; L119-Y123 WeakPolarHBondContact O-CB 3.39Å; L119-Y123 PolarHBondContact O-N 2.88Å; Q120-Y123 PolarHBondContact O-N 2.9Å; Y123-R125 PolarHBondContact O-N 3.25Å; Y123-S126 PolarHBondContact O-N 3.37Å; Y123-L127 HydrophobicContact CD1-CD1 3.8Å; Y123-L127 HydrophobicContact CD1-CG 4.34Å; Y123-L127 HydrophobicContact CE1-CD1 3.28Å; Y123-L127 HydrophobicContact CE1-CG 4Å; Y123-L127 WeakPolarHBondContact O-CG 3.3Å; Y123-L127 PolarHBondContact O-N 3.36Å
124D78.1Confident81.3Confident101 Ų101100 Ų10054%0.5448%0.482SS..Hα-helixtrans-63.5-41.3177.3-174.5-96.9000112.4Q120 S126 L127 S128Q120-D124 WeakPolarHBondContact O-CB 3.4Å; Q120-D124 PolarHBondContact O-N 2.95Å; D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 3Å; D124-L127 PolarHBondContact O-N 3.48Å; D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 2.84Å; D124-S128 PolarHBondContact O-OG 2.86Å
125R77.3Confident81.5Confident164 Ų16496 Ų9662%0.61947%0.473SS*.Hα-helixtrans-63.7-40.8173.9-178.7-174.2-66.9-112.3-1111.7R121 D122 Y123 S128 R129R121-R125 VanDerWaalsContact O-CB 3.28Å; R121-R125 WeakPolarHBondContact O-CB 3.44Å; R121-R125 PolarHBondContact O-N 3.41Å; D122-R125 PolarHBondContact O-N 3.49Å; Y123-R125 PolarHBondContact O-N 3.25Å; R125-S128 PolarHBondContact O-N 3.16Å; R125-R129 WeakPolarHBondContact O-CB 3.32Å; R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.44Å; R125-R129 PolarHBondContact O-N 2.89Å
126S79.6Confident81.4Confident63 Ų6398.3 Ų98.344%0.44148%0.479SS..Hα-helixtrans-64.7-45.9177.8-179.20000110.7D122 Y123 D124 S128 R129 L130D122-S126 VanDerWaalsContact O-CB 3.31Å; D122-S126 WeakPolarHBondContact O-CB 3.28Å; D122-S126 PolarHBondContact O-N 3.34Å; Y123-S126 PolarHBondContact O-N 3.37Å; D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 3Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 3.45Å; S126-R129 PolarHBondContact O-N 2.84Å; S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.1Å
127L78.1Confident81.4Confident86 Ų86105.9 Ų105.945%0.4551%0.506SS..Hα-helixtrans-60.9-41.3173.6-75.1-179.8000112.4Y123 D124 R129 L130Y123-L127 HydrophobicContact CD1-CD1 3.8Å; Y123-L127 HydrophobicContact CD1-CG 4.34Å; Y123-L127 HydrophobicContact CE1-CD1 3.28Å; Y123-L127 HydrophobicContact CE1-CG 4Å; Y123-L127 WeakPolarHBondContact O-CG 3.3Å; Y123-L127 PolarHBondContact O-N 3.36Å; D124-L127 PolarHBondContact O-N 3.48Å; L127-R129 PolarHBondContact O-N 3.09Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.35Å; L127-L130 PolarHBondContact O-N 3.5Å
128S75.5Confident81.7Confident91 Ų91105.2 Ų105.264%0.63651%0.505SS*.Hα-helixtrans-68-23.9178.6-63.10000113.2D124 R125 S126D124-S128 WeakPolarHBondContact O-CB 3.37Å; D124-S128 PolarHBondContact O-N 2.84Å; D124-S128 PolarHBondContact O-OG 2.86Å; R125-S128 PolarHBondContact O-N 3.16Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 3.45Å
129R81.8Confident81.5Confident193 Ų193101.9 Ų101.973%0.72850%0.497SS*.THydrogen-bonded Turntrans-95.1-4.3177.4-7117768.7-156.30.7113.1R125 S126 L127 T131R125-R129 WeakPolarHBondContact O-CB 3.32Å; R125-R129 VanDerWaalsContact O-CG 3.29Å; R125-R129 WeakPolarHBondContact O-CG 3.44Å; R125-R129 PolarHBondContact O-N 2.89Å; S126-R129 PolarHBondContact O-N 2.84Å; L127-R129 PolarHBondContact O-N 3.09Å; R129-T131 PolarHBondContact O-N 3.29Å
130L83.4Confident81.1Confident64 Ų64101.3 Ų101.334%0.33550%0.499SS..  trans-67.5119.9-176.3-142.785.2000109.4S126 L127 D134 I135S126-L130 PolarHBondContact O-N 3.23Å; S126-L130 VanDerWaalsContact O-N 3.1Å; L127-L130 VanDerWaalsContact O-CB 3.28Å; L127-L130 WeakPolarHBondContact O-CB 3.35Å; L127-L130 PolarHBondContact O-N 3.5Å; L130-D134 HydrophobicContact CG-CB 4.26Å; L130-I135 HydrophobicContact CD2-CD1 4.02Å; L130-I135 HydrophobicContact CD2-CG1 3.41Å; L130-I135 VanDerWaalsContact CD2-CG1 3.41Å; L130-I135 HydrophobicContact CG-CG1 4.11Å
131T84.8Confident80.9Confident69 Ų69104.7 Ų104.742%0.42351%0.507SS..  trans-92167.2177.568.20000111.6R129 D133 D134 I135R129-T131 PolarHBondContact O-N 3.29Å; T131-D133 VanDerWaalsContact C-N 3.3Å; T131-D133 PolarHBondContact O-N 3.02Å; T131-D134 WeakPolarHBondContact CB-OD2 3.45Å; T131-D134 PolarHBondContact N-OD2 3.24Å; T131-D134 VanDerWaalsContact N-OD2 3.11Å; T131-D134 PolarHBondContact O-N 2.87Å; T131-D134 VanDerWaalsContact OG1-CG 3.26Å; T131-D134 PolarHBondContact OG1-N 3.41Å; T131-D134 PolarHBondContact OG1-OD2 3.44Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 3.09Å; T131-I135 VanDerWaalsContact O-N 3.09Å
132L77.9Confident80.8Confident127 Ų127105.8 Ų105.867%0.66552%0.516SS*.Hα-helixtrans-58.5-43.6175.4-162.9101.3000111D134 I135 E136L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.29Å; L132-I135 PolarHBondContact O-N 2.87Å; L132-I135 VanDerWaalsContact O-N 3.16Å; L132-E136 WeakPolarHBondContact O-CG 3.46Å; L132-E136 PolarHBondContact O-N 2.73Å
133D82.3Confident80.7Confident103 Ų103107.3 Ų107.355%0.55152%0.524SS*.Hα-helixtrans-58.1-41174.4-80.9-98.5000112.9T131 I135 E136 R137T131-D133 VanDerWaalsContact C-N 3.3Å; T131-D133 PolarHBondContact O-N 3.02Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.49Å; D133-E136 PolarHBondContact O-N 3.37Å; D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.28Å; D133-R137 PolarHBondContact O-N 2.96Å
134D83Confident80.1Confident64 Ų64107.1 Ų107.134%0.34253%0.527SS..Hα-helixtrans-65.1-38.9177.2-66-54.8000111.5L130 T131 L132 L138L130-D134 HydrophobicContact CG-CB 4.26Å; T131-D134 WeakPolarHBondContact CB-OD2 3.45Å; T131-D134 PolarHBondContact N-OD2 3.24Å; T131-D134 VanDerWaalsContact N-OD2 3.11Å; T131-D134 PolarHBondContact O-N 2.87Å; T131-D134 VanDerWaalsContact OG1-CG 3.26Å; T131-D134 PolarHBondContact OG1-N 3.41Å; T131-D134 PolarHBondContact OG1-OD2 3.44Å; L132-D134 VanDerWaalsContact C-N 3.34Å; L132-D134 PolarHBondContact O-N 3.49Å; D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 PolarHBondContact O-N 2.97Å
135I86.1Confident79.3Confident87 Ų87106 Ų10645%0.44653%0.525SS..Hα-helixtrans-67.6-44.6176.4-64.1164.7000110.4L130 T131 L132 D133 R137 L138 A139L130-I135 HydrophobicContact CD2-CD1 4.02Å; L130-I135 HydrophobicContact CD2-CG1 3.41Å; L130-I135 VanDerWaalsContact CD2-CG1 3.41Å; L130-I135 HydrophobicContact CG-CG1 4.11Å; T131-I135 WeakPolarHBondContact O-CG1 3.42Å; T131-I135 PolarHBondContact O-N 3.09Å; T131-I135 VanDerWaalsContact O-N 3.09Å; L132-I135 WeakPolarHBondContact O-CB 3.29Å; L132-I135 PolarHBondContact O-N 2.87Å; L132-I135 VanDerWaalsContact O-N 3.16Å; D133-I135 VanDerWaalsContact C-N 3.32Å; D133-I135 PolarHBondContact O-N 3.49Å; I135-R137 PolarHBondContact O-N 2.94Å; I135-L138 PolarHBondContact O-N 3.33Å; I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.45Å
136E81Confident78.2Confident107 Ų107106.5 Ų106.550%0.553%0.534SS..Hα-helixtrans-63.9-39.6178.2-75-175.5109.600111.9L132 D133 A139 S140L132-E136 WeakPolarHBondContact O-CG 3.46Å; L132-E136 PolarHBondContact O-N 2.73Å; D133-E136 PolarHBondContact O-N 3.37Å; E136-A139 PolarHBondContact O-N 3.05Å; E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.46Å
137R83Confident76.9Confident184 Ų184108 Ų10869%0.69454%0.54SS*.Hα-helixtrans-62.8-45.2172.7-78.4177.8174.6-179.3-0.4112.4D133 I135 S140 R141D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 WeakPolarHBondContact O-CG 3.28Å; D133-R137 PolarHBondContact O-N 2.96Å; I135-R137 PolarHBondContact O-N 2.94Å; R137-S140 PolarHBondContact O-N 3.2Å; R137-R141 PolarHBondContact O-N 3.3Å; R137-R141 VanDerWaalsContact O-N 3.09Å
138L83.3Confident75.5Confident83 Ų83107 Ų10744%0.43554%0.538SS..Hα-helixtrans-60-49.9175.1-94.3161.5000111.1D134 I135 S140 R141 F142D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 PolarHBondContact O-N 2.97Å; I135-L138 PolarHBondContact O-N 3.33Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.5Å; L138-R141 PolarHBondContact O-N 3.4Å; L138-F142 HydrophobicContact CD2-CD2 4.36Å; L138-F142 HydrophobicContact CD2-CE2 3.9Å; L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 2.62Å
139A81.1Confident74.2Confident40 Ų40109 Ų10933%0.33154%0.537SS..Hα-helixtrans-60.5-44.718000000111.6I135 E136 R141 F142 L143I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.45Å; E136-A139 PolarHBondContact O-N 3.05Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 2.8Å; A139-F142 PolarHBondContact O-N 3.11Å; A139-L143 HydrophobicContact CB-CD1 4.26Å; A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.41Å; A139-L143 PolarHBondContact O-N 3.2Å
140S79.4Confident72.5Confident60 Ų60104.2 Ų104.242%0.4253%0.534SS..Hα-helixtrans-60.3-40.6178-59.40000111.9E136 R137 L138 F142 H144E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.31Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.46Å; R137-S140 PolarHBondContact O-N 3.2Å; L138-S140 VanDerWaalsContact C-N 3.35Å; L138-S140 PolarHBondContact O-N 3.5Å; S140-F142 PolarHBondContact O-N 3.31Å; S140-H144 CarbonylContact O-C 3.54Å; S140-H144 VanDerWaalsContact O-C 3.31Å; S140-H144 VanDerWaalsContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CB 3.45Å; S140-H144 PolarHBondContact O-N 3.1Å
141R77.4Confident70.8Confident166 Ų166108.7 Ų108.763%0.62656%0.555SS**Hα-helixtrans-64.2-36.5178.3-175.1178179.4-174.61.3113.5R137 L138 A139 T148R137-R141 PolarHBondContact O-N 3.3Å; R137-R141 VanDerWaalsContact O-N 3.09Å; L138-R141 PolarHBondContact O-N 3.4Å; A139-R141 VanDerWaalsContact C-N 3.31Å; A139-R141 PolarHBondContact O-N 2.8Å; R141-T148 HydrophobicContact CB-CG2 4.45Å; R141-T148 HydrophobicContact CG-CG2 4.43Å
142F77.1Confident69.1Low155 Ų155114 Ų11468%0.6858%0.575SS**Hα-helixtrans-92.5-27.6-176.9-77-77.7000113.7L138 A139 S140L138-F142 HydrophobicContact CD2-CD2 4.36Å; L138-F142 HydrophobicContact CD2-CE2 3.9Å; L138-F142 VanDerWaalsContact O-CD2 3.3Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 2.62Å; A139-F142 PolarHBondContact O-N 3.11Å; S140-F142 PolarHBondContact O-N 3.31Å
143L80Confident67.6Low126 Ų126116.1 Ų116.166%0.6658%0.579SS**Hα-helixtrans-98.3-24.1-177.5-58.9175.6000112.8A139A139-L143 HydrophobicContact CB-CD1 4.26Å; A139-L143 WeakPolarHBondContact O-CB 3.33Å; A139-L143 VanDerWaalsContact O-CG 3.28Å; A139-L143 WeakPolarHBondContact O-CG 3.41Å; A139-L143 PolarHBondContact O-N 3.2Å
144H71.1Confident65.9Low117 Ų117113.9 Ų113.954%0.54258%0.58SS.*  trans-132.468.8-179.8-61.5-70.5000111.4S140 E146 V147S140-H144 CarbonylContact O-C 3.54Å; S140-H144 VanDerWaalsContact O-C 3.31Å; S140-H144 VanDerWaalsContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CA 3.31Å; S140-H144 WeakPolarHBondContact O-CB 3.45Å; S140-H144 PolarHBondContact O-N 3.1Å; H144-E146 PolarHBondContact O-N 3.4Å; H144-E146 VanDerWaalsContact O-N 3.14Å; H144-V147 PolarHBondContact O-N 3.44Å
145P61.4Low64.2Low78 Ų78120.2 Ų120.251%0.50661%0.605SS.*Hα-helixtrans-63.2-20.5-176.925.7-34.4000114V147 T148P145-V147 PolarHBondContact O-N 2.86Å; P145-T148 PolarHBondContact O-OG1 2.92Å
146E54.5Low62.2Low173 Ų173121.7 Ų121.781%0.80862%0.623SS**Hα-helixtrans-75.6-19.2-176.5-58.5-165.6102.400113.9H144H144-E146 PolarHBondContact O-N 3.4Å; H144-E146 VanDerWaalsContact O-N 3.14Å
147V53.2Low60.2Low94 Ų94130.3 Ų130.357%0.5766%0.658SS**Hα-helixtrans-86.2-24.1179.9-175.20000111.8H144 P145 E149 S150H144-V147 PolarHBondContact O-N 3.44Å; P145-V147 PolarHBondContact O-N 2.86Å; V147-E149 PolarHBondContact O-N 3.34Å; V147-S150 PolarHBondContact O-N 3.47Å
148T48.9Very low59.1Low66 Ų66127.6 Ų127.641%0.40566%0.657SS.*Hα-helixtrans-73.9-24.3-176.544.30000114.3R141 P145 S150R141-T148 HydrophobicContact CB-CG2 4.45Å; R141-T148 HydrophobicContact CG-CG2 4.43Å; P145-T148 PolarHBondContact O-OG1 2.92Å; T148-S150 VanDerWaalsContact C-N 3.33Å
149E47.9Very low57.8Low132 Ų132129.9 Ų129.962%0.61767%0.668SS**Hα-helixtrans-76.6-18.6174.3-86.2-169.472.600113.8V147V147-E149 PolarHBondContact O-N 3.34Å
150S46.3Very low56.5Low93 Ų93134.9 Ų134.965%0.6569%0.687SS**Hα-helixtrans-85.1-17.8-175.6-59.40000113.4V147 T148V147-S150 PolarHBondContact O-N 3.47Å; T148-S150 VanDerWaalsContact C-N 3.33Å
151M48.1Very low55.2Low159 Ų159139.4 Ų139.478%0.78370%0.703SS**Hα-helixtrans-94.8-20.9178.2-78.6178.666.200114.1
152E48.1Very low53.8Low181 Ų181137.7 Ų137.785%0.84671%0.708SS**Hα-helixtrans-83.4-18.8175.6-80.8-156.486.600114G154E152-G154 VanDerWaalsContact C-N 3.33Å
153K47.4Very low52.2Low171 Ų171136.5 Ų136.574%0.74371%0.709SS**THydrogen-bonded Turntrans-873.5175.2-74.5178.4-179.21630114.4
154G45.9Very low50.3Low56 Ų56137.3 Ų137.358%0.57771%0.713SS**THydrogen-bonded Turntrans-88.32.1-176.900000116.2E152E152-G154 VanDerWaalsContact C-N 3.33Å
155F47.4Very low48.7Very low197 Ų197138.8 Ų138.886%0.86473%0.726SS**  trans-133.677.6174.8-83.7-85.4000111.2
156S43.1Very low47.6Very low117 Ų117143.9 Ų143.982%0.81875%0.745SS**  trans-148.593.2152.2-78.60000108.7
157K40.3Very low47Very low288 Ų288141.3 Ų141.3100%1.25274%0.739SS**  trans36.10146.8-130.3166.5176.6-179.70119.1

Retrieved 157 of 157 residues in 65.2 ms (Link to these results)