A0A077Z2W1_TRITR Loading...

Parafibromin

AlphaFold DB , UniProt , Accession A0A077Z2W1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M45.3Very low48.8Very low149 Ų14973.8 Ų73.873%0.73439%0.389SS*.  0127.20-151.4168.2-145.900108.9E8 V10M1-E8 HydrophobicContact CE-CG 3.42Å; M1-E8 VanDerWaalsContact CE-CG 3.42Å; M1-E8 WeakPolarHBondContact CE-OE1 3.49Å; M1-E8 HydrophobicContact CG-CG 4.02Å; M1-E8 HydrophobicContact SD-CG 4.03Å; M1-V10 HydrophobicContact CE-CG2 3.76Å
2A40.6Very low49.1Very low24 Ų2475.8 Ų75.820%0.19839%0.394CS..EExtended strand (participates in β ladder)trans-112.1140.717800000108.9V9A2-V9 HydrophobicContact CB-CB 4.47Å; A2-V9 PolarHBondContact N-O 3.47Å; A2-V9 WeakPolarHBondContact O-CA 3.3Å; A2-V9 WeakPolarHBondContact O-CB 3.41Å; A2-V9 PolarHBondContact O-N 3.01Å
3R42.2Very low49Very low209 Ų20980.5 Ų80.579%0.78941%0.413SS*.EExtended strand (participates in β ladder)trans-102.1130.1173.3-81.3-171.4168.9-176.8-3.8109.6
4V45.6Very low48.9Very low24 Ų2481.3 Ų81.315%0.14542%0.423CS..EExtended strand (participates in β ladder)trans-120.799173.2178.20000107.2Q6 N7 V9 L64 L68V4-Q6 PolarHBondContact O-N 2.94Å; V4-N7 PolarHBondContact N-O 3.5Å; V4-N7 WeakPolarHBondContact O-CB 3.47Å; V4-N7 PolarHBondContact O-N 3.03Å; V4-V9 HydrophobicContact CB-CG2 4.1Å; V4-V9 HydrophobicContact CG2-CG2 3.73Å; V4-L64 HydrophobicContact CG2-CD1 4.16Å; V4-L68 HydrophobicContact CB-CD2 4.48Å; V4-L68 HydrophobicContact CG1-CD2 3.51Å; V4-L68 HydrophobicContact CG2-CD2 4.1Å
5G59.2Low49.5Very low75 Ų7579.9 Ų79.977%0.77344%0.436SS*.THydrogen-bonded Turntrans61.5-126.5-172.500000112.3N7G5-N7 VanDerWaalsContact C-N 3.29Å
6Q49.4Very low49.3Very low158 Ų15884.8 Ų84.874%0.73846%0.462SS*.THydrogen-bonded Turntrans-87.43.2174.4-64-177.3-6.800113.4V4 S25V4-Q6 PolarHBondContact O-N 2.94Å; Q6-S25 PolarHBondContact O-OG 3.2Å
7N47Very low48.7Very low38 Ų3882.2 Ų82.220%0.20345%0.449CS..EExtended strand (participates in β ladder)trans-102.6142.2-176.7-55.5-30.6000110.2V4 G5 M22 L23 S24V4-N7 PolarHBondContact N-O 3.5Å; V4-N7 WeakPolarHBondContact O-CB 3.47Å; V4-N7 PolarHBondContact O-N 3.03Å; G5-N7 VanDerWaalsContact C-N 3.29Å; N7-M22 HydrophobicContact CB-CG 3.8Å; N7-M22 HydrophobicContact CB-SD 4.09Å; N7-L23 CarbonylContact C-O 3.6Å; N7-L23 VanDerWaalsContact CA-O 3.27Å; N7-L23 WeakPolarHBondContact CA-O 3.42Å; N7-L23 WeakPolarHBondContact CB-O 3.3Å; N7-S24 WeakPolarHBondContact OD1-CA 3.48Å; N7-S24 VanDerWaalsContact OD1-CB 3.25Å; N7-S24 WeakPolarHBondContact OD1-CB 3.27Å; N7-S24 PolarHBondContact OD1-OG 3.04Å
8E51.1Low48.5Very low65 Ų6578 Ų7830%0.30443%0.427SS..EExtended strand (participates in β ladder)trans-99.2123178.5-175.5162.7-121.900108.8M1 M22 L23M1-E8 HydrophobicContact CE-CG 3.42Å; M1-E8 VanDerWaalsContact CE-CG 3.42Å; M1-E8 WeakPolarHBondContact CE-OE1 3.49Å; M1-E8 HydrophobicContact CG-CG 4.02Å; M1-E8 HydrophobicContact SD-CG 4.03Å; E8-M22 WeakPolarHBondContact O-CA 3.33Å; E8-L23 HydrophobicContact CB-CB 4.32Å; E8-L23 PolarHBondContact N-O 3.43Å; E8-L23 PolarHBondContact O-N 2.96Å
9V52.6Low48.5Very low0 Ų075.6 Ų75.60%041%0.412CS..EExtended strand (participates in β ladder)trans-107.2115.6179-174.80000108.7A2 V4 L11 A20 I21 M22 L67A2-V9 HydrophobicContact CB-CB 4.47Å; A2-V9 PolarHBondContact N-O 3.47Å; A2-V9 WeakPolarHBondContact O-CA 3.3Å; A2-V9 WeakPolarHBondContact O-CB 3.41Å; A2-V9 PolarHBondContact O-N 3.01Å; V4-V9 HydrophobicContact CB-CG2 4.1Å; V4-V9 HydrophobicContact CG2-CG2 3.73Å; V9-L11 HydrophobicContact CG1-CG 4.37Å; V9-A20 HydrophobicContact CG1-CB 4.22Å; V9-I21 CarbonylContact C-O 3.59Å; V9-I21 WeakPolarHBondContact CA-O 3.04Å; V9-M22 HydrophobicContact CG2-CB 4.22Å; V9-M22 HydrophobicContact CG2-CE 3.79Å; V9-M22 HydrophobicContact CG2-CG 3.95Å; V9-L67 HydrophobicContact CG1-CD1 4.17Å
10V52.4Low48.4Very low30 Ų3071.8 Ų71.818%0.18239%0.391CS..EExtended strand (participates in β ladder)trans-96123.5170.4-176.30000107.4M1 A20 I21M1-V10 HydrophobicContact CE-CG2 3.76Å; V10-A20 CarbonylContact O-C 3.6Å; V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.48Å; V10-I21 HydrophobicContact CB-CB 4.39Å; V10-I21 PolarHBondContact N-O 2.75Å; V10-I21 PolarHBondContact O-N 3.46Å
11L51.9Low48.7Very low40 Ų4070.2 Ų70.221%0.20938%0.382CS..EExtended strand (participates in β ladder)trans-105.4124.3173.6-74152.6000105.9V9 F19 A20 R60 L63V9-L11 HydrophobicContact CG1-CG 4.37Å; L11-F19 WeakPolarHBondContact CA-O 3.4Å; L11-A20 HydrophobicContact CD2-CB 3.76Å; L11-R60 HydrophobicContact CD1-CG 3.82Å; L11-R60 HydrophobicContact CD2-CG 4.33Å; L11-R60 HydrophobicContact CG-CG 4.5Å; L11-L63 HydrophobicContact CD2-CB 4.41Å; L11-L63 HydrophobicContact CD2-CD2 3.53Å; L11-L63 HydrophobicContact CD2-CG 4.14Å
12E51.5Low48.8Very low97 Ų9764 Ų6445%0.45335%0.352SS..EExtended strand (participates in β ladder)trans-134.1146.4179.2-174.3-175.6171.500108.7F19E12-F19 HydrophobicContact CB-CD1 4.34Å; E12-F19 HydrophobicContact CB-CD2 3.85Å; E12-F19 HydrophobicContact CB-CE1 3.82Å; E12-F19 HydrophobicContact CB-CE2 3.34Å; E12-F19 HydrophobicContact CB-CG 4.37Å; E12-F19 HydrophobicContact CB-CZ 3.34Å; E12-F19 HydrophobicContact CG-CE1 3.75Å; E12-F19 HydrophobicContact CG-CE2 3.65Å; E12-F19 HydrophobicContact CG-CZ 3.16Å; E12-F19 PolarHBondContact N-O 3.42Å; E12-F19 WeakPolarHBondContact O-CD1 3.41Å; E12-F19 WeakPolarHBondContact O-CE1 3.47Å; E12-F19 PolarHBondContact O-N 3.1Å; E12-F19 WeakPolarHBondContact OE2-CE2 3.36Å; E12-F19 WeakPolarHBondContact OE2-CZ 3.39Å
13E47.6Very low49.2Very low138 Ų13866.2 Ų66.265%0.64536%0.36SS*.EExtended strand (participates in β ladder)trans-126.3122-172.6-171.3177.8160.400107.1V17E13-V17 WeakPolarHBondContact CA-O 3.42Å
14V47.5Very low49.4Very low91 Ų9157.6 Ų57.655%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-124.9102.5178.2170.20000107.2V17 F19V14-V17 PolarHBondContact N-O 3.12Å; V14-V17 PolarHBondContact O-N 3.2Å; V14-F19 HydrophobicContact CB-CE1 3.91Å; V14-F19 HydrophobicContact CG2-CE1 3.46Å; V14-F19 VanDerWaalsContact CG2-CE1 3.46Å; V14-F19 HydrophobicContact CG2-CZ 3.81Å
15G58.8Low49.4Very low60 Ų6060.8 Ų60.862%0.61936%0.355SS*.THydrogen-bonded Turntrans62.7-132.2-170.800000111V17G15-V17 PolarHBondContact O-N 2.79Å
16D46.6Very low48.9Very low158 Ų15861.8 Ų61.885%0.84535%0.35SS*.THydrogen-bonded Turntrans-828177.6-58.7-44.9000113.4
17V39.2Very low48.5Very low41 Ų4157 Ų5725%0.24833%0.334CS..EExtended strand (participates in β ladder)trans-110.2120.2-174.5-174.10000110.3E13 V14 G15 L34 F36E13-V17 WeakPolarHBondContact CA-O 3.42Å; V14-V17 PolarHBondContact N-O 3.12Å; V14-V17 PolarHBondContact O-N 3.2Å; G15-V17 PolarHBondContact O-N 2.79Å; V17-L34 HydrophobicContact CG1-CD2 4.34Å; V17-F36 HydrophobicContact CG2-CE1 4.43Å
18S44.9Very low48.1Very low7 Ų767.7 Ų67.75%0.04937%0.371CS..EExtended strand (participates in β ladder)trans-99.6132.3171.4-52.30000110.4L35 S59S18-L35 PolarHBondContact O-N 2.99Å; S18-S59 PolarHBondContact OG-OG 2.93Å
19F47.3Very low47.4Very low32 Ų3267 Ų6714%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-124.4149.517452.4-77.5000110.9L11 E12 V14 I21 A33 L34L11-F19 WeakPolarHBondContact CA-O 3.4Å; E12-F19 HydrophobicContact CB-CD1 4.34Å; E12-F19 HydrophobicContact CB-CD2 3.85Å; E12-F19 HydrophobicContact CB-CE1 3.82Å; E12-F19 HydrophobicContact CB-CE2 3.34Å; E12-F19 HydrophobicContact CB-CG 4.37Å; E12-F19 HydrophobicContact CB-CZ 3.34Å; E12-F19 HydrophobicContact CG-CE1 3.75Å; E12-F19 HydrophobicContact CG-CE2 3.65Å; E12-F19 HydrophobicContact CG-CZ 3.16Å; E12-F19 PolarHBondContact N-O 3.42Å; E12-F19 WeakPolarHBondContact O-CD1 3.41Å; E12-F19 WeakPolarHBondContact O-CE1 3.47Å; E12-F19 PolarHBondContact O-N 3.1Å; E12-F19 WeakPolarHBondContact OE2-CE2 3.36Å; E12-F19 WeakPolarHBondContact OE2-CZ 3.39Å; V14-F19 HydrophobicContact CB-CE1 3.91Å; V14-F19 HydrophobicContact CG2-CE1 3.46Å; V14-F19 VanDerWaalsContact CG2-CE1 3.46Å; V14-F19 HydrophobicContact CG2-CZ 3.81Å; F19-I21 HydrophobicContact CD2-CD1 4.19Å; F19-I21 HydrophobicContact CD2-CG1 4.21Å; F19-I21 HydrophobicContact CE2-CD1 4.26Å; F19-A33 WeakPolarHBondContact CA-O 3.38Å; F19-L34 HydrophobicContact CB-CD2 4.36Å
20A47.8Very low46.6Very low0 Ų070.1 Ų70.10%039%0.394CS..EExtended strand (participates in β ladder)trans-125.4127.6174.500000109.5V9 V10 L11 V32 A33 L63 L67V9-A20 HydrophobicContact CG1-CB 4.22Å; V10-A20 CarbonylContact O-C 3.6Å; V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.48Å; L11-A20 HydrophobicContact CD2-CB 3.76Å; A20-V32 WeakPolarHBondContact O-CA 3.43Å; A20-A33 PolarHBondContact N-O 2.98Å; A20-A33 PolarHBondContact O-N 3.29Å; A20-L63 HydrophobicContact CB-CD1 4.16Å; A20-L63 HydrophobicContact CB-CD2 3.4Å; A20-L63 HydrophobicContact CB-CG 3.68Å; A20-L67 HydrophobicContact CB-CD1 3.44Å; A20-L67 VanDerWaalsContact CB-CD1 3.44Å
21I53.1Low46.1Very low39 Ų3972.4 Ų72.420%0.241%0.407CS..EExtended strand (participates in β ladder)trans-108.5112.1176-55.1173.8000106.3V9 V10 F19 L23 L30 V32V9-I21 CarbonylContact C-O 3.59Å; V9-I21 WeakPolarHBondContact CA-O 3.04Å; V10-I21 HydrophobicContact CB-CB 4.39Å; V10-I21 PolarHBondContact N-O 2.75Å; V10-I21 PolarHBondContact O-N 3.46Å; F19-I21 HydrophobicContact CD2-CD1 4.19Å; F19-I21 HydrophobicContact CD2-CG1 4.21Å; F19-I21 HydrophobicContact CE2-CD1 4.26Å; I21-L23 HydrophobicContact CG2-CG 4.38Å; I21-L30 HydrophobicContact CG2-CD2 3.55Å; I21-V32 HydrophobicContact CG1-CG2 4.41Å
22M48.8Very low45.5Very low18 Ų1872.3 Ų72.39%0.08941%0.408CS..EExtended strand (participates in β ladder)trans-95.6114.2171-172.9179.5-62.900109N7 E8 V9 V31 L67N7-M22 HydrophobicContact CB-CG 3.8Å; N7-M22 HydrophobicContact CB-SD 4.09Å; E8-M22 WeakPolarHBondContact O-CA 3.33Å; V9-M22 HydrophobicContact CG2-CB 4.22Å; V9-M22 HydrophobicContact CG2-CE 3.79Å; V9-M22 HydrophobicContact CG2-CG 3.95Å; M22-V31 HydrophobicContact CB-CB 4.37Å; M22-V31 PolarHBondContact N-O 3.13Å; M22-V31 PolarHBondContact O-N 2.86Å; M22-L67 HydrophobicContact CE-CB 4.15Å; M22-L67 HydrophobicContact CE-CD2 4.22Å
23L49Very low45.1Very low70 Ų7069 Ų6937%0.36640%0.398SS..EExtended strand (participates in β ladder)trans-92.9113.1173.1-71.1163000108.3N7 E8 I21 L30N7-L23 CarbonylContact C-O 3.6Å; N7-L23 VanDerWaalsContact CA-O 3.27Å; N7-L23 WeakPolarHBondContact CA-O 3.42Å; N7-L23 WeakPolarHBondContact CB-O 3.3Å; E8-L23 HydrophobicContact CB-CB 4.32Å; E8-L23 PolarHBondContact N-O 3.43Å; E8-L23 PolarHBondContact O-N 2.96Å; I21-L23 HydrophobicContact CG2-CG 4.38Å; L23-L30 HydrophobicContact CD2-CD2 3.37Å; L23-L30 HydrophobicContact CD2-CG 4.2Å; L23-L30 HydrophobicContact CG-CD2 4.25Å
24S45.2Very low44.6Very low28 Ų2866.2 Ų66.220%0.19639%0.387CS..EExtended strand (participates in β ladder)trans-89.4128.9170.5-170.50000111.2N7 S26 S27N7-S24 WeakPolarHBondContact OD1-CA 3.48Å; N7-S24 VanDerWaalsContact OD1-CB 3.25Å; N7-S24 WeakPolarHBondContact OD1-CB 3.27Å; N7-S24 PolarHBondContact OD1-OG 3.04Å; S24-S26 PolarHBondContact O-N 2.88Å; S24-S26 PolarHBondContact OG-N 3.17Å; S24-S26 PolarHBondContact OG-OG 3.36Å; S24-S27 WeakPolarHBondContact CB-OG 3.46Å; S24-S27 VanDerWaalsContact O-O 3.08Å
25S47.2Very low44.1Very low91 Ų9164.2 Ų64.264%0.63637%0.373SS*.THydrogen-bonded Turntrans-68.4-16.1172.9480000113.2Q6Q6-S25 PolarHBondContact O-OG 3.2Å
26S46.9Very low43.1Very low96 Ų9668.3 Ų68.367%0.67137%0.374SS*.THydrogen-bonded Turntrans-103.6-12.1-173.969.10000114.5S24S24-S26 PolarHBondContact O-N 2.88Å; S24-S26 PolarHBondContact OG-N 3.17Å; S24-S26 PolarHBondContact OG-OG 3.36Å
27S41.5Very low42.5Very low58 Ų5864 Ų6441%0.40636%0.355SS..SBendtrans-141.1141.5-176.559.50000110.8S24 A29S24-S27 WeakPolarHBondContact CB-OG 3.46Å; S24-S27 VanDerWaalsContact O-O 3.08Å; S27-A29 PolarHBondContact O-N 3.17Å
28R38.9Very low42.2Very low262 Ų26267.1 Ų67.199%0.98938%0.377SS*.SBendtrans-68.325.8172.1-62.6-177.4175.7-172.6-1.4112.7
29A35.7Very low41.5Very low52 Ų5271.9 Ų71.943%0.4341%0.411SS..  trans-105.7114-175.600000109.2S27S27-A29 PolarHBondContact O-N 3.17Å
30L36.4Very low40.8Very low65 Ų6575.8 Ų75.834%0.3444%0.439SS..EExtended strand (participates in β ladder)trans-84115.3164.3-86.5153.1000107.5I21 L23I21-L30 HydrophobicContact CG2-CD2 3.55Å; L23-L30 HydrophobicContact CD2-CD2 3.37Å; L23-L30 HydrophobicContact CD2-CG 4.2Å; L23-L30 HydrophobicContact CG-CD2 4.25Å
31V41.6Very low39.9Very low77 Ų7781.9 Ų81.947%0.46748%0.479SS..EExtended strand (participates in β ladder)trans-96.2110.1169.8-178.80000107.4M22M22-V31 HydrophobicContact CB-CB 4.37Å; M22-V31 PolarHBondContact N-O 3.13Å; M22-V31 PolarHBondContact O-N 2.86Å
32V40.1Very low38.7Very low39 Ų3983.8 Ų83.824%0.23651%0.509CS..EExtended strand (participates in β ladder)trans-103.1111.7174.6-176.20000107.7A20 I21A20-V32 WeakPolarHBondContact O-CA 3.43Å; I21-V32 HydrophobicContact CG1-CG2 4.41Å
33A42.3Very low37.7Very low28 Ų2885.9 Ų85.923%0.23154%0.535CS..EExtended strand (participates in β ladder)trans-98.5114.6170.400000108.7F19 A20 L63 L67F19-A33 WeakPolarHBondContact CA-O 3.38Å; A20-A33 PolarHBondContact N-O 2.98Å; A20-A33 PolarHBondContact O-N 3.29Å; A33-L63 HydrophobicContact CB-CD1 4.03Å; A33-L67 HydrophobicContact CB-CD2 3.93Å
34L38Very low36.8Very low79 Ų7988.1 Ų88.141%0.41456%0.556SS.*EExtended strand (participates in β ladder)trans-93.1115.3170-80145.2000108.1V17 F19V17-L34 HydrophobicContact CG1-CD2 4.34Å; F19-L34 HydrophobicContact CB-CD2 4.36Å
35L37.7Very low36.1Very low48 Ų4897.7 Ų97.725%0.25159%0.588SS.*EExtended strand (participates in β ladder)trans-98.9108.8166.8-89.1173.8000108.8S18 C37 L63S18-L35 PolarHBondContact O-N 2.99Å; L35-C37 PolarHBondContact O-N 3.43Å; L35-L63 HydrophobicContact CB-CD1 4.11Å; L35-L63 HydrophobicContact CD1-CB 3.65Å; L35-L63 HydrophobicContact CD1-CD1 3.29Å; L35-L63 HydrophobicContact CD1-CG 3.98Å; L35-L63 HydrophobicContact CG-CD1 3.57Å
36F36.2Very low35.6Very low147 Ų14798.2 Ų98.265%0.64559%0.589SS**  trans-75.9103.7159.7-74.4-84.1000107.8V17 C38V17-F36 HydrophobicContact CG2-CE1 4.43Å; F36-C38 PolarHBondContact O-N 3.3Å
37C34.9Very low35Very low67 Ų67101.6 Ų101.645%0.45359%0.594SS.*  trans-74.468.7169.5-65.90000109.3L35 S39L35-C37 PolarHBondContact O-N 3.43Å; C37-S39 VanDerWaalsContact C-N 3.33Å; C37-S39 PolarHBondContact O-N 2.99Å; C37-S39 VanDerWaalsContact O-N 3.08Å
38C33Very low34.8Very low106 Ų106107.6 Ų107.672%0.71662%0.616SS**  trans-76.690.9165.2-67.70000107.5F36 P40F36-C38 PolarHBondContact O-N 3.3Å; C38-P40 VanDerWaalsContact O-CD 3.25Å; C38-P40 WeakPolarHBondContact O-CD 3.14Å; C38-P40 VanDerWaalsContact O-N 3.12Å
39S30.2Very low34.7Very low108 Ų108103.9 Ų103.976%0.75561%0.607SS**  trans-53.2114.9165.1-67.40000108.3C37 P41C37-S39 VanDerWaalsContact C-N 3.33Å; C37-S39 PolarHBondContact O-N 2.99Å; C37-S39 VanDerWaalsContact O-N 3.08Å; S39-P41 WeakPolarHBondContact O-CD 3.42Å
40P31.3Very low35.3Very low113 Ų113104.8 Ų104.873%0.73461%0.614SS**  trans-65.3124.9177.224.5-29.9000108.2C38 G42C38-P40 VanDerWaalsContact O-CD 3.25Å; C38-P40 WeakPolarHBondContact O-CD 3.14Å; C38-P40 VanDerWaalsContact O-N 3.12Å; P40-G42 PolarHBondContact O-N 3.4Å
41P30.1Very low35.9Very low128 Ų128103.9 Ų103.983%0.83162%0.621SS**  trans-68.3107.5174.127.7-30.3000107.5S39S39-P41 WeakPolarHBondContact O-CD 3.42Å
42G27.5Very low35.9Very low80 Ų80102.5 Ų102.583%0.82561%0.614SS**SBendtrans41.995164.200000116.6P40P40-G42 PolarHBondContact O-N 3.4Å
43G27.8Very low36.3Very low62 Ų62106.2 Ų106.264%0.63963%0.632SS**  trans177.1103.4169.400000114.2
44S30.3Very low36.6Very low116 Ų116107.9 Ų107.981%0.81164%0.637SS**  trans3998.215357.20000118P46S44-P46 WeakPolarHBondContact O-CD 3.42Å
45R29.6Very low36.7Very low229 Ų229108.7 Ų108.786%0.86465%0.649SS**  trans-42.9110.5160.5-167.4-177-165.3-1764.9112
46P37.8Very low37.1Very low103 Ų103110.6 Ų110.667%0.66968%0.68SS**  trans-85.2137.1155.23.318.1000107.4S44 Q48S44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-Q48 VanDerWaalsContact C-N 3.26Å; P46-Q48 PolarHBondContact O-N 2.92Å
47E34.3Very low37.3Very low166 Ų166107.2 Ų107.278%0.77667%0.668SS**  trans-59.183.2173.5-74.4-171.710200111.5K49E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.22Å; E47-K49 VanDerWaalsContact O-N 3.1Å
48Q36.9Very low38Very low184 Ų184106.8 Ų106.886%0.8667%0.666SS**  trans-79.581.2166.5-91.2-172.8-12.800109.3P46 A50P46-Q48 VanDerWaalsContact C-N 3.26Å; P46-Q48 PolarHBondContact O-N 2.92Å; Q48-A50 PolarHBondContact O-N 2.9Å
49K36.2Very low38.6Very low184 Ų184104 Ų10480%0.865%0.647SS**THydrogen-bonded Turntrans-87.290.5163.3-85.8179.4176.1166.90109.5E47E47-K49 VanDerWaalsContact C-N 3.32Å; E47-K49 PolarHBondContact O-N 3.22Å; E47-K49 VanDerWaalsContact O-N 3.1Å
50A48.5Very low39.1Very low71 Ų71105.3 Ų105.359%0.58764%0.636SS**THydrogen-bonded Turntrans-163.2-6.1160.100000114.3Q48 Y69Q48-A50 PolarHBondContact O-N 2.9Å; A50-Y69 PolarHBondContact O-OH 3.32Å
51G49Very low39.6Very low47 Ų47103.4 Ų103.449%0.48562%0.62SS.*SBendtrans-122.2162.9173.700000111.5D53G51-D53 PolarHBondContact O-N 3.15Å
52P42Very low40.3Very low47 Ų4797.6 Ų97.631%0.30558%0.583SS.*  trans-56135.2168.424.8-32.9000109.5I54 V65 Y69P52-I54 PolarHBondContact O-N 3.23Å; P52-V65 HydrophobicContact CB-CG1 3.49Å; P52-V65 VanDerWaalsContact CB-CG1 3.49Å; P52-V65 HydrophobicContact CG-CG1 3.28Å; P52-Y69 HydrophobicContact CG-CD2 4.45Å; P52-Y69 HydrophobicContact CG-CG 4.21Å
53D49.7Very low41.2Very low118 Ų11893.9 Ų93.963%0.63154%0.544SS*.  trans-66.2101.9174.5-170.63.2000108.4G51 S55G51-D53 PolarHBondContact O-N 3.15Å; D53-S55 VanDerWaalsContact C-N 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.35Å; D53-S55 PolarHBondContact OD1-N 2.73Å; D53-S55 PolarHBondContact OD1-OG 2.58Å
54I47.2Very low42.1Very low63 Ų6393 Ų9332%0.32353%0.525SS..  trans-89.36.3176.659.1171.9000111.9P52 G56 L57 V65P52-I54 PolarHBondContact O-N 3.23Å; I54-G56 PolarHBondContact O-N 3.03Å; I54-L57 HydrophobicContact CB-CD1 4.16Å; I54-L57 HydrophobicContact CG2-CD1 4.13Å; I54-L57 WeakPolarHBondContact O-CB 3.49Å; I54-L57 PolarHBondContact O-N 2.94Å; I54-V65 HydrophobicContact CG2-CB 4.09Å; I54-V65 HydrophobicContact CG2-CG1 3.73Å
55S41Very low42.7Very low95 Ų9589.6 Ų89.666%0.66450%0.499SS*.THydrogen-bonded Turntrans-63.5125.3178.3-51.40000110.3D53 L57D53-S55 VanDerWaalsContact C-N 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.35Å; D53-S55 PolarHBondContact OD1-N 2.73Å; D53-S55 PolarHBondContact OD1-OG 2.58Å; S55-L57 VanDerWaalsContact C-N 3.32Å
56G45Very low43.5Very low88 Ų8881.2 Ų81.291%0.90747%0.471SS*.THydrogen-bonded Turntrans850.4-179.700000114.9I54I54-G56 PolarHBondContact O-N 3.03Å
57L41.7Very low44.1Very low77 Ų7777 Ų7740%0.40344%0.443SS..SBendtrans-79.6147.4167.2-66.2-176.8000110.3I54 S55 D61 V65I54-L57 HydrophobicContact CB-CD1 4.16Å; I54-L57 HydrophobicContact CG2-CD1 4.13Å; I54-L57 WeakPolarHBondContact O-CB 3.49Å; I54-L57 PolarHBondContact O-N 2.94Å; S55-L57 VanDerWaalsContact C-N 3.32Å; L57-D61 HydrophobicContact CB-CB 3.92Å; L57-D61 HydrophobicContact CD1-CB 4.38Å; L57-D61 HydrophobicContact CD2-CB 4.16Å; L57-D61 HydrophobicContact CG-CB 4.39Å; L57-V65 HydrophobicContact CD1-CB 4.38Å; L57-V65 HydrophobicContact CD1-CG2 3.8Å
58S50Low44.7Very low57 Ų5772.4 Ų72.440%0.39942%0.423SS..  trans-59.2154166.274.30000109.5R60 D61 G62S58-R60 PolarHBondContact O-N 2.89Å; S58-D61 PolarHBondContact O-N 3.4Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 PolarHBondContact OG-OD2 3.37Å; S58-G62 PolarHBondContact O-N 2.95Å
59S45.1Very low45.2Very low47 Ų4768 Ų6833%0.32940%0.399SS..Hα-helixtrans-48.6-39176.8520000111.9S18 L63S18-S59 PolarHBondContact OG-OG 2.93Å; S59-L63 WeakPolarHBondContact O-CB 3.37Å; S59-L63 PolarHBondContact O-N 3.37Å
60R41Very low45.8Very low136 Ų13661.6 Ų61.651%0.51338%0.381SS..Hα-helixtrans-64.7-46176-173.8176.2171.4171.3-5.4113.5L11 S58 L63 L64L11-R60 HydrophobicContact CD1-CG 3.82Å; L11-R60 HydrophobicContact CD2-CG 4.33Å; L11-R60 HydrophobicContact CG-CG 4.5Å; S58-R60 PolarHBondContact O-N 2.89Å; R60-L63 PolarHBondContact O-N 2.93Å; R60-L64 PolarHBondContact O-N 3.44Å; R60-L64 VanDerWaalsContact O-N 3.13Å
61D41.9Very low45.6Very low74 Ų7460.3 Ų60.340%0.39637%0.367SS..Hα-helixtrans-71.5-38-179.4-63.6-40.4000111.1L57 S58 L63 L64 V65L57-D61 HydrophobicContact CB-CB 3.92Å; L57-D61 HydrophobicContact CD1-CB 4.38Å; L57-D61 HydrophobicContact CD2-CB 4.16Å; L57-D61 HydrophobicContact CG-CB 4.39Å; S58-D61 PolarHBondContact O-N 3.4Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 PolarHBondContact OG-OD2 3.37Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 2.9Å; D61-L64 PolarHBondContact O-N 2.84Å; D61-V65 WeakPolarHBondContact O-CB 3.25Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.47Å; D61-V65 PolarHBondContact O-N 3.33Å
62G43.8Very low45.3Very low5 Ų561 Ų615%0.05236%0.362CS..Hα-helixtrans-62.3-40.5173.600000112.6S58 V65 N66S58-G62 PolarHBondContact O-N 2.95Å; G62-V65 PolarHBondContact O-N 3.48Å; G62-N66 WeakPolarHBondContact O-CB 3.18Å; G62-N66 VanDerWaalsContact O-CG 3.31Å; G62-N66 PolarHBondContact O-N 3.37Å; G62-N66 PolarHBondContact O-ND2 3.15Å
63L47.7Very low45.5Very low2 Ų262.2 Ų62.21%0.0137%0.366CS..Hα-helixtrans-63.8-42.4175.3-170.159000112.1L11 A20 A33 L35 S59 R60 D61 N66 L67L11-L63 HydrophobicContact CD2-CB 4.41Å; L11-L63 HydrophobicContact CD2-CD2 3.53Å; L11-L63 HydrophobicContact CD2-CG 4.14Å; A20-L63 HydrophobicContact CB-CD1 4.16Å; A20-L63 HydrophobicContact CB-CD2 3.4Å; A20-L63 HydrophobicContact CB-CG 3.68Å; A33-L63 HydrophobicContact CB-CD1 4.03Å; L35-L63 HydrophobicContact CB-CD1 4.11Å; L35-L63 HydrophobicContact CD1-CB 3.65Å; L35-L63 HydrophobicContact CD1-CD1 3.29Å; L35-L63 HydrophobicContact CD1-CG 3.98Å; L35-L63 HydrophobicContact CG-CD1 3.57Å; S59-L63 WeakPolarHBondContact O-CB 3.37Å; S59-L63 PolarHBondContact O-N 3.37Å; R60-L63 PolarHBondContact O-N 2.93Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 2.9Å; L63-N66 PolarHBondContact O-N 2.99Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.44Å
64L46.1Very low45.3Very low45 Ų4562.1 Ų62.124%0.23636%0.362CS..Hα-helixtrans-64.7-44.4177.4-171.668.4000111.5V4 R60 D61 N66 L67 L68V4-L64 HydrophobicContact CG2-CD1 4.16Å; R60-L64 PolarHBondContact O-N 3.44Å; R60-L64 VanDerWaalsContact O-N 3.13Å; D61-L64 PolarHBondContact O-N 2.84Å; L64-N66 VanDerWaalsContact C-N 3.34Å; L64-N66 PolarHBondContact O-N 2.95Å; L64-L67 PolarHBondContact O-N 3.42Å; L64-L68 HydrophobicContact CG-CD1 4.12Å; L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 2.99Å
65V43.2Very low44.8Very low44 Ų4465.8 Ų65.827%0.26738%0.377SS..Hα-helixtrans-62.2-41.6177.2168.50000111.2P52 I54 L57 D61 G62 L68 Y69P52-V65 HydrophobicContact CB-CG1 3.49Å; P52-V65 VanDerWaalsContact CB-CG1 3.49Å; P52-V65 HydrophobicContact CG-CG1 3.28Å; I54-V65 HydrophobicContact CG2-CB 4.09Å; I54-V65 HydrophobicContact CG2-CG1 3.73Å; L57-V65 HydrophobicContact CD1-CB 4.38Å; L57-V65 HydrophobicContact CD1-CG2 3.8Å; D61-V65 WeakPolarHBondContact O-CB 3.25Å; D61-V65 VanDerWaalsContact O-CG2 3.3Å; D61-V65 WeakPolarHBondContact O-CG2 3.47Å; D61-V65 PolarHBondContact O-N 3.33Å; G62-V65 PolarHBondContact O-N 3.48Å; V65-L68 PolarHBondContact O-N 3.03Å; V65-Y69 WeakPolarHBondContact O-CB 3.46Å; V65-Y69 PolarHBondContact O-N 3Å
66N46.7Very low45Very low52 Ų5268.8 Ų68.828%0.27838%0.378SS..Hα-helixtrans-65.5-41.5176.3-76.7-28.1000112.7G62 L63 L64 Y69 A70G62-N66 WeakPolarHBondContact O-CB 3.18Å; G62-N66 VanDerWaalsContact O-CG 3.31Å; G62-N66 PolarHBondContact O-N 3.37Å; G62-N66 PolarHBondContact O-ND2 3.15Å; L63-N66 PolarHBondContact O-N 2.99Å; L64-N66 VanDerWaalsContact C-N 3.34Å; L64-N66 PolarHBondContact O-N 2.95Å; N66-Y69 PolarHBondContact O-N 2.91Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 2.89Å
67L48.9Very low45Very low15 Ų1574.1 Ų74.18%0.07937%0.371CS..Hα-helixtrans-64.5-42.2176-77.1167.2000112.3V9 A20 M22 A33 L63 L64 A70 S71V9-L67 HydrophobicContact CG1-CD1 4.17Å; A20-L67 HydrophobicContact CB-CD1 3.44Å; A20-L67 VanDerWaalsContact CB-CD1 3.44Å; M22-L67 HydrophobicContact CE-CB 4.15Å; M22-L67 HydrophobicContact CE-CD2 4.22Å; A33-L67 HydrophobicContact CB-CD2 3.93Å; L63-L67 HydrophobicContact CG-CD1 4.36Å; L63-L67 WeakPolarHBondContact O-CB 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.25Å; L63-L67 PolarHBondContact O-N 3.44Å; L64-L67 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.07Å; L67-S71 PolarHBondContact O-N 2.94Å; L67-S71 PolarHBondContact O-OG 2.97Å
68L46.4Very low44.8Very low70 Ų7079.5 Ų79.537%0.36639%0.386SS..Hα-helixtrans-65.5-40176-71.3169.2000111.5V4 L64 V65 S71 T72V4-L68 HydrophobicContact CB-CD2 4.48Å; V4-L68 HydrophobicContact CG1-CD2 3.51Å; V4-L68 HydrophobicContact CG2-CD2 4.1Å; L64-L68 HydrophobicContact CG-CD1 4.12Å; L64-L68 WeakPolarHBondContact O-CB 3.45Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.26Å; L64-L68 PolarHBondContact O-N 2.99Å; V65-L68 PolarHBondContact O-N 3.03Å; L68-S71 WeakPolarHBondContact CA-OG 3.39Å; L68-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-OG 3.26Å; L68-T72 WeakPolarHBondContact O-CG2 3.42Å; L68-T72 PolarHBondContact O-N 2.95Å; L68-T72 PolarHBondContact O-OG1 3.06Å; L68-T72 VanDerWaalsContact O-OG1 3.13Å
69Y49.3Very low43.8Very low91 Ų9179 Ų7936%0.35738%0.383SS..Hα-helixtrans-63.7-44.9175.3-170.8-115.4000111.4A50 P52 V65 N66 S71 T72 L73A50-Y69 PolarHBondContact O-OH 3.32Å; P52-Y69 HydrophobicContact CG-CD2 4.45Å; P52-Y69 HydrophobicContact CG-CG 4.21Å; V65-Y69 WeakPolarHBondContact O-CB 3.46Å; V65-Y69 PolarHBondContact O-N 3Å; N66-Y69 PolarHBondContact O-N 2.91Å; Y69-S71 PolarHBondContact O-N 3.19Å; Y69-T72 PolarHBondContact O-N 3.31Å; Y69-T72 PolarHBondContact O-OG1 3.48Å; Y69-L73 HydrophobicContact CD1-CD1 3.86Å; Y69-L73 HydrophobicContact CD1-CG 4.49Å; Y69-L73 HydrophobicContact CE1-CD1 3.53Å; Y69-L73 HydrophobicContact CE1-CG 4.23Å; Y69-L73 WeakPolarHBondContact O-CG 3.44Å; Y69-L73 PolarHBondContact O-N 2.97Å
70A48.5Very low43.3Very low50 Ų5081.9 Ų81.941%0.41340%0.4SS..Hα-helixtrans-60.5-43.5174.600000112.2N66 L67 T72 L73 E74N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 2.89Å; L67-A70 PolarHBondContact O-N 3.07Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.13Å; A70-L73 PolarHBondContact O-N 3.35Å; A70-E74 PolarHBondContact O-N 3.19Å
71S42.7Very low43Very low43 Ų4381 Ų8130%0.30141%0.409SS..Hα-helixtrans-64-38.4178.163.90000112.8L67 L68 Y69 E74 E75L67-S71 PolarHBondContact O-N 2.94Å; L67-S71 PolarHBondContact O-OG 2.97Å; L68-S71 WeakPolarHBondContact CA-OG 3.39Å; L68-S71 PolarHBondContact O-N 2.96Å; L68-S71 PolarHBondContact O-OG 3.26Å; Y69-S71 PolarHBondContact O-N 3.19Å; S71-E74 PolarHBondContact O-N 3.41Å; S71-E75 WeakPolarHBondContact O-CB 3.48Å; S71-E75 PolarHBondContact O-N 3.43Å
72T44.3Very low42.6Very low62 Ų6279.3 Ų79.338%0.3841%0.406SS..Hα-helixtrans-71.9-32.8177.954.40000112.2L68 Y69 A70 K76L68-T72 WeakPolarHBondContact O-CG2 3.42Å; L68-T72 PolarHBondContact O-N 2.95Å; L68-T72 PolarHBondContact O-OG1 3.06Å; L68-T72 VanDerWaalsContact O-OG1 3.13Å; Y69-T72 PolarHBondContact O-N 3.31Å; Y69-T72 PolarHBondContact O-OG1 3.48Å; A70-T72 VanDerWaalsContact C-N 3.34Å; A70-T72 PolarHBondContact O-N 3.13Å; T72-K76 WeakPolarHBondContact O-CB 3.43Å; T72-K76 WeakPolarHBondContact O-CG 3.08Å; T72-K76 PolarHBondContact O-N 3.49Å
73L46.3Very low42.1Very low73 Ų7389.2 Ų89.238%0.38244%0.442SS..Hα-helixtrans-66.4-42.7171.4-73.6176.4000111.7Y69 A70 K76 R77Y69-L73 HydrophobicContact CD1-CD1 3.86Å; Y69-L73 HydrophobicContact CD1-CG 4.49Å; Y69-L73 HydrophobicContact CE1-CD1 3.53Å; Y69-L73 HydrophobicContact CE1-CG 4.23Å; Y69-L73 WeakPolarHBondContact O-CG 3.44Å; Y69-L73 PolarHBondContact O-N 2.97Å; A70-L73 PolarHBondContact O-N 3.35Å; L73-K76 PolarHBondContact O-N 2.78Å; L73-R77 WeakPolarHBondContact O-CG 3.36Å; L73-R77 PolarHBondContact O-N 2.64Å
74E45Very low41.2Very low116 Ų11697.8 Ų97.854%0.54248%0.482SS..Hα-helixtrans-63.8-41.8174.4-75.6-156.1156.600112.3A70 S71 R77 R78A70-E74 PolarHBondContact O-N 3.19Å; S71-E74 PolarHBondContact O-N 3.41Å; E74-R77 CarbonylContact O-C 3.53Å; E74-R77 PolarHBondContact O-N 2.83Å; E74-R77 VanDerWaalsContact O-N 3.17Å; E74-R78 WeakPolarHBondContact O-CG 2.98Å; E74-R78 PolarHBondContact O-N 2.93Å
75E36.6Very low40.5Very low139 Ų139100.3 Ų100.365%0.6550%0.499SS*.Hα-helixtrans-62.5-43.4176.9-172.5172.9-165.600111.5S71 R77 R78 S79S71-E75 WeakPolarHBondContact O-CB 3.48Å; S71-E75 PolarHBondContact O-N 3.43Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 2.93Å; E75-R78 PolarHBondContact O-N 3.3Å; E75-S79 PolarHBondContact O-N 3Å
76K44.5Very low39.7Very low158 Ų158105.7 Ų105.769%0.68753%0.527SS*.Hα-helixtrans-61.3-34.7173.1-78.9-179.2179.1179.30112.7T72 L73 S79T72-K76 WeakPolarHBondContact O-CB 3.43Å; T72-K76 WeakPolarHBondContact O-CG 3.08Å; T72-K76 PolarHBondContact O-N 3.49Å; L73-K76 PolarHBondContact O-N 2.78Å; K76-S79 VanDerWaalsContact O-CB 3.3Å; K76-S79 WeakPolarHBondContact O-CB 3.03Å
77R44.6Very low38.9Very low200 Ų200108.4 Ų108.476%0.75554%0.54SS*.Hα-helixtrans-75.7-27.8175.2-74-176.1176.3-171.50.2113.6L73 E74 E75 S79 A82L73-R77 WeakPolarHBondContact O-CG 3.36Å; L73-R77 PolarHBondContact O-N 2.64Å; E74-R77 CarbonylContact O-C 3.53Å; E74-R77 PolarHBondContact O-N 2.83Å; E74-R77 VanDerWaalsContact O-N 3.17Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 2.93Å; R77-S79 VanDerWaalsContact C-N 3.34Å; R77-A82 WeakPolarHBondContact O-CB 3.28Å
78R38.9Very low37.9Very low191 Ų191114.6 Ų114.672%0.72157%0.573SS**Hα-helixtrans-81.5-13.8173.8-73.3-177.4-178.5173.76.5113.2E74 E75E74-R78 WeakPolarHBondContact O-CG 2.98Å; E74-R78 PolarHBondContact O-N 2.93Å; E75-R78 PolarHBondContact O-N 3.3Å
79S28.5Very low37Very low47 Ų47118 Ų11833%0.32959%0.586SS.*SBendtrans-55.1134.9172179.30000110.6E75 K76 R77 V81 A82E75-S79 PolarHBondContact O-N 3Å; K76-S79 VanDerWaalsContact O-CB 3.3Å; K76-S79 WeakPolarHBondContact O-CB 3.03Å; R77-S79 VanDerWaalsContact C-N 3.34Å; S79-V81 PolarHBondContact O-N 3.32Å; S79-A82 PolarHBondContact O-N 2.9Å
80P34.7Very low36Very low106 Ų106119.1 Ų119.169%0.68860%0.604SS**G310 helixtrans-58-15.8-178.520.8-31.3000114
81V35.3Very low34.9Very low117 Ų117123 Ų12371%0.70962%0.622SS**G310 helixtrans-72.4-27.2175.4-177.30000112.7S79 R83S79-V81 PolarHBondContact O-N 3.32Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.47Å
82A33.2Very low34.1Very low40 Ų40127.1 Ų127.133%0.33165%0.645SS.*G310 helixtrans-82.7-7.2178.500000113.6R77 S79 Q84R77-A82 WeakPolarHBondContact O-CB 3.28Å; S79-A82 PolarHBondContact O-N 2.9Å; A82-Q84 PolarHBondContact O-N 3.34Å
83R31.7Very low33.2Very low213 Ų213131.6 Ų131.680%0.80466%0.662SS**G310 helixtrans-74.50.8-179.9-69.9-171.2167.9-168.4-4.1114.4V81V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.47Å
84Q30.4Very low32.2Very low182 Ų182133.5 Ų133.585%0.8568%0.678SS**G310 helixtrans-93.7-9.8-179.4-98.1174.6-7.600115.1A82A82-Q84 PolarHBondContact O-N 3.34Å
85T30.8Very low31.3Very low98 Ų98133.1 Ų133.160%0.60169%0.688SS**SBendtrans-97.4101.9172.852.20000109.6I87T85-I87 VanDerWaalsContact C-N 3.31Å; T85-I87 PolarHBondContact O-N 3.19Å
86N26.9Very low31Very low157 Ų157133 Ų13384%0.8470%0.703SS**  trans-65.890.1171.5-14615.2000108
87I29.8Very low30.1Very low108 Ų108129.9 Ų129.955%0.55471%0.706SS**  trans-100.6100.1175.3-59.4174.2000106.4T85 F89T85-I87 VanDerWaalsContact C-N 3.31Å; T85-I87 PolarHBondContact O-N 3.19Å; I87-F89 HydrophobicContact CB-CE2 4.29Å; I87-F89 HydrophobicContact CG2-CD2 4.18Å; I87-F89 HydrophobicContact CG2-CE2 3.84Å; I87-F89 HydrophobicContact CG2-CZ 4.11Å; I87-F89 WeakPolarHBondContact O-CD2 3.35Å; I87-F89 PolarHBondContact O-N 3.01Å
88D26.9Very low29.2Very low145 Ų145129 Ų12978%0.77571%0.711SS**  trans-66110.5168.3-83.7-40.4000109
89F29Very low28.7Very low143 Ų143127.8 Ų127.863%0.62772%0.718SS**  trans-85.1130.9169.1-76.8-87.6000109.1I87 V91I87-F89 HydrophobicContact CB-CE2 4.29Å; I87-F89 HydrophobicContact CG2-CD2 4.18Å; I87-F89 HydrophobicContact CG2-CE2 3.84Å; I87-F89 HydrophobicContact CG2-CZ 4.11Å; I87-F89 WeakPolarHBondContact O-CD2 3.35Å; I87-F89 PolarHBondContact O-N 3.01Å; F89-V91 PolarHBondContact O-N 3Å
90P27.2Very low28.9Very low114 Ų114130.6 Ų130.674%0.7474%0.735SS**  trans-66.4106.5169.326.6-30.5000108.4V92P90-V92 PolarHBondContact O-N 2.9Å
91V26.4Very low28.9Very low130 Ų130130.8 Ų130.879%0.78874%0.736SS**  trans-65.2101.2165.1177.50000106.4F89 Q93F89-V91 PolarHBondContact O-N 3Å; V91-Q93 PolarHBondContact O-N 2.89Å
92V25.6Very low28.7Very low131 Ų131134.7 Ų134.779%0.79475%0.747SS**  trans-70.291.3166.1-176.50000106.3P90P90-V92 PolarHBondContact O-N 2.9Å
93Q24.8Very low28.6Very low156 Ų156138 Ų13873%0.72976%0.759SS**PPolyproline II helixtrans-66.1123.6170.7-156174.81400106.9V91 S95V91-Q93 PolarHBondContact O-N 2.89Å; Q93-S95 PolarHBondContact O-N 2.8Å
94P25.8Very low28.6Very low113 Ų113130.2 Ų130.273%0.73474%0.744SS**PPolyproline II helixtrans-57.2121.6176.320.8-29.3000108.1S96P94-S96 PolarHBondContact O-N 2.83Å
95S25.8Very low28.5Very low107 Ų107128.9 Ų128.975%0.74875%0.751SS**PPolyproline II helixtrans-55.6132.3-179.8-730000109.3Q93 A97Q93-S95 PolarHBondContact O-N 2.8Å; S95-A97 PolarHBondContact O-N 3.25Å
96S29.6Very low28.3Very low136 Ų136127.8 Ų127.895%0.95175%0.753SS**THydrogen-bonded Turntrans-6518.3-169.5-33.30000115.3P94P94-S96 PolarHBondContact O-N 2.83Å
97A26.4Very low28.4Very low93 Ų93124.4 Ų124.477%0.76974%0.741SS**THydrogen-bonded Turntrans-115.93.1-167.600000114.8S95S95-A97 PolarHBondContact O-N 3.25Å
98Q26.7Very low28.2Very low181 Ų181121.5 Ų121.585%0.84673%0.733SS**  trans-134.4100.5170.6-90.7170.2-2600109.4
99L28.4Very low28.2Very low167 Ų167118 Ų11887%0.87472%0.717SS**PPolyproline II helixtrans-54.7131.7162.1-88.2130.4000107.8
100P32.7Very low28.1Very low105 Ų105113.7 Ų113.768%0.68270%0.704SS**PPolyproline II helixtrans-55.6139.9168.624.3-31.1000107.9E102P100-E102 PolarHBondContact O-N 2.85Å
101P34.4Very low28.2Very low110 Ų110111.2 Ų111.271%0.71469%0.687SS**PPolyproline II helixtrans-52.8132.8175.522-31.2000108.3L103P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.04Å
102E29.6Very low28.3Very low199 Ų199109.3 Ų109.393%0.9367%0.672SS**  trans-55.9100.7173.9-89.8-155.6140.800108.1P100 G104P100-E102 PolarHBondContact O-N 2.85Å; E102-G104 PolarHBondContact O-N 2.8Å
103L32.2Very low28.5Very low111 Ų111110.9 Ų110.958%0.58166%0.664SS**  trans-66.8113.8163.3-66.9167.3000104.1P101 A108P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.04Å; L103-A108 HydrophobicContact CD1-CB 4.31Å
104G30.9Very low28.9Very low49 Ų49109.1 Ų109.151%0.50565%0.654SS.*  trans-55.1-171.2170.400000111.5E102 A106E102-G104 PolarHBondContact O-N 2.8Å; G104-A106 PolarHBondContact O-N 3.07Å
105P28.6Very low29.1Very low153 Ų153108.3 Ų108.399%0.99465%0.649SS**SBendtrans-62.39.1-174.125.2-34.2000115.8
106A26.4Very low29.3Very low76 Ų76106.6 Ų106.663%0.62863%0.634SS**SBendtrans-87.6126174.200000111.4G104 A108G104-A106 PolarHBondContact O-N 3.07Å; A106-A108 PolarHBondContact O-N 3.17Å
107S28.5Very low29.4Very low85 Ų85107.3 Ų107.359%0.59462%0.622SS**  trans-5.6105.2169.2-148.70000115.7V109S107-V109 PolarHBondContact O-N 3.49Å
108A25.9Very low29.7Very low47 Ų47106.8 Ų106.839%0.38862%0.617SS.*  trans-67.6105.4179.200000110.5L103 A106 S110 H142L103-A108 HydrophobicContact CD1-CB 4.31Å; A106-A108 PolarHBondContact O-N 3.17Å; A108-S110 PolarHBondContact O-N 3.24Å; A108-H142 PolarHBondContact O-CD2 3.04Å
109V27.1Very low30.2Very low73 Ų73106.7 Ų106.744%0.44262%0.617SS.*EExtended strand (participates in β ladder)trans-79.4103168.9-176.50000107.5S107 P139 V140S107-V109 PolarHBondContact O-N 3.49Å; V109-P139 HydrophobicContact CG1-CB 3.5Å; V109-V140 WeakPolarHBondContact CA-O 3.2Å
110S27.5Very low30.4Very low51 Ų51106.5 Ų106.536%0.35761%0.612SS.*EExtended strand (participates in β ladder)trans-81.5124168.5-78.10000108.6A108 V140 H142A108-S110 PolarHBondContact O-N 3.24Å; S110-V140 PolarHBondContact N-O 3.36Å; S110-V140 WeakPolarHBondContact O-CA 3.21Å; S110-V140 WeakPolarHBondContact O-CB 3.48Å; S110-V140 VanDerWaalsContact O-CG2 3.28Å; S110-V140 WeakPolarHBondContact O-CG2 3.4Å; S110-V140 PolarHBondContact O-N 3.08Å; S110-H142 WeakPolarHBondContact CB-NE2 3.06Å; S110-H142 PolarHBondContact OG-CD2 2.87Å; S110-H142 PolarHBondContact OG-NE2 3.25Å
111T29.8Very low30.5Very low62 Ų62107 Ų10738%0.3862%0.615SS.*EExtended strand (participates in β ladder)trans-86.3115.2172.8-57.60000107.7W113T111-W113 HydrophobicContact CG2-CD2 4.01Å; T111-W113 HydrophobicContact CG2-CE3 4.32Å; T111-W113 HydrophobicContact CG2-CH2 4.44Å; T111-W113 HydrophobicContact CG2-CZ2 4.03Å
112L28.1Very low30.2Very low91 Ų91107.1 Ų107.148%0.47662%0.618SS.*EExtended strand (participates in β ladder)trans-86.1130166.9-80.3171.5000108.6F114 A138 V140L112-F114 HydrophobicContact CB-CE2 3.8Å; L112-F114 HydrophobicContact CB-CZ 4.06Å; L112-F114 HydrophobicContact CD1-CZ 4.1Å; L112-A138 PolarHBondContact N-O 2.75Å; L112-V140 HydrophobicContact CB-CG2 4.01Å; L112-V140 HydrophobicContact CD1-CG2 3.5Å; L112-V140 VanDerWaalsContact CD1-CG2 3.5Å; L112-V140 HydrophobicContact CG-CG2 3.61Å
113W30.3Very low30.2Very low164 Ų164103.4 Ų103.462%0.62161%0.611SS**EExtended strand (participates in β ladder)trans-106.8121.8176.8-56.197.5000108.3T111 V135T111-W113 HydrophobicContact CG2-CD2 4.01Å; T111-W113 HydrophobicContact CG2-CE3 4.32Å; T111-W113 HydrophobicContact CG2-CH2 4.44Å; T111-W113 HydrophobicContact CG2-CZ2 4.03Å; W113-V135 HydrophobicContact CD2-CG1 4.1Å; W113-V135 HydrophobicContact CE3-CB 4.44Å; W113-V135 HydrophobicContact CE3-CG1 2.95Å; W113-V135 HydrophobicContact CH2-CG1 4.22Å; W113-V135 HydrophobicContact CZ3-CB 4.36Å; W113-V135 HydrophobicContact CZ3-CG1 3.03Å
114F31.6Very low29.9Very low119 Ų119102.1 Ų102.152%0.52262%0.617SS.*EExtended strand (participates in β ladder)trans-109.4125.3174.3-61.1-83.6000109.8L112 V116L112-F114 HydrophobicContact CB-CE2 3.8Å; L112-F114 HydrophobicContact CB-CZ 4.06Å; L112-F114 HydrophobicContact CD1-CZ 4.1Å; F114-V116 PolarHBondContact O-N 3.29Å
115P31Very low29.9Very low96 Ų96106.3 Ų106.362%0.62363%0.632SS**EExtended strand (participates in β ladder)trans-71.3110.4168.727.2-29.3000108.9H117P115-H117 PolarHBondContact O-N 3.42Å
116V30.6Very low29.7Very low71 Ų71104 Ų10443%0.4362%0.62SS.*EExtended strand (participates in β ladder)trans-84.5106.1165.9-1730000107.1F114 A118 I136F114-V116 PolarHBondContact O-N 3.29Å; V116-A118 PolarHBondContact O-N 2.82Å; V116-A118 VanDerWaalsContact O-N 3.15Å; V116-I136 HydrophobicContact CG2-CD1 3.68Å; V116-I136 HydrophobicContact CG2-CG1 4.3Å
117H31.6Very low29.8Very low151 Ų151105.1 Ų105.170%0.69962%0.623SS**  trans-71.7104.9163.6-71.8-75.3000107.3P115 E119P115-H117 PolarHBondContact O-N 3.42Å; H117-E119 PolarHBondContact O-N 3.21Å; H117-E119 VanDerWaalsContact O-N 3.15Å
118A32.3Very low29.7Very low82 Ų82107.6 Ų107.668%0.67863%0.634SS**  trans-57.7116.8153.700000105.5V116 Q120V116-A118 PolarHBondContact O-N 2.82Å; V116-A118 VanDerWaalsContact O-N 3.15Å; A118-Q120 PolarHBondContact O-N 2.92Å
119E36.5Very low29.8Very low178 Ų178114.3 Ų114.383%0.83266%0.658SS**  trans-52.5113.5175.1-78-166.6150.700107.8H117 P121H117-E119 PolarHBondContact O-N 3.21Å; H117-E119 VanDerWaalsContact O-N 3.15Å; E119-P121 WeakPolarHBondContact O-CD 3.44Å
120Q32.7Very low29.8Very low164 Ų164114.7 Ų114.777%0.76668%0.676SS**  trans-54.6118.8179.7-176.6-178.7-6.800107.7A118 S122A118-Q120 PolarHBondContact O-N 2.92Å; Q120-S122 PolarHBondContact O-N 3.3Å; Q120-S122 VanDerWaalsContact O-N 3.12Å
121P34.8Very low29.8Very low116 Ų116118 Ų11875%0.75370%0.7SS**  trans-56.4124.8170.220.6-28.7000107.5E119E119-P121 WeakPolarHBondContact O-CD 3.44Å
122S28.5Very low29.8Very low111 Ų111119.2 Ų119.278%0.77672%0.716SS**  trans-45.8135.5177.2-75.10000109.7Q120 A124Q120-S122 PolarHBondContact O-N 3.3Å; Q120-S122 VanDerWaalsContact O-N 3.12Å; S122-A124 VanDerWaalsContact C-N 3.3Å; S122-A124 PolarHBondContact O-N 3.32Å
123P28.9Very low29.8Very low122 Ų122119.3 Ų119.379%0.79272%0.722SS**  trans-75.985.5-167.232.3-33.7000109.2
124A27.5Very low29.7Very low84 Ų84114.5 Ų114.569%0.69472%0.717SS**  trans-106.899.1162.300000107.4S122S122-A124 VanDerWaalsContact C-N 3.3Å; S122-A124 PolarHBondContact O-N 3.32Å
125V28.9Very low29.5Very low137 Ų137113.1 Ų113.183%0.8372%0.718SS**SBendtrans76.598.7155.3-145.40000116.9
126S26Very low29.4Very low104 Ų104112.8 Ų112.873%0.72771%0.71SS**  trans76124.3140.4-1590000120.3
127S28.6Very low29.4Very low99 Ų99112.6 Ų112.669%0.69271%0.712SS**  trans73.985.5151.143.20000120.3
128V26.2Very low29.5Very low138 Ų138106 Ų10684%0.83668%0.684SS**  49.292.1119.7-1710000117.9
129Q27.9Very low29.4Very low188 Ų188105.5 Ų105.588%0.87967%0.673SS**  -171.8124.1125.5-113.7171-30.100110.2
130G27.2Very low29.1Very low81 Ų8198.1 Ų98.184%0.83564%0.64SS**  trans-70.5135.2-169.100000114.1A132G130-A132 PolarHBondContact O-N 3.34Å
131S27.9Very low28.9Very low121 Ų12194.9 Ų94.985%0.84663%0.627SS**  trans-79.7111.8163-53.10000108.4
132A28.8Very low28.7Very low87 Ų8794.3 Ų94.372%0.71961%0.614SS**  trans-63.6147.2170.700000110G130 A134G130-A132 PolarHBondContact O-N 3.34Å; A132-A134 PolarHBondContact O-N 3.34Å
133P28.3Very low28.9Very low93 Ų9395.1 Ų95.160%0.60461%0.614SS**  trans-55.7131.3177.922.4-32.6000110.6V135P133-V135 PolarHBondContact O-N 3.26Å; P133-V135 VanDerWaalsContact O-N 3.17Å
134A27.7Very low29.1Very low63 Ų6391.7 Ų91.752%0.52160%0.602SS.*EExtended strand (participates in β ladder)trans-71.1110.8169.200000107.9A132A132-A134 PolarHBondContact O-N 3.34Å
135V28.3Very low29.3Very low89 Ų8993.8 Ų93.854%0.53961%0.608SS.*EExtended strand (participates in β ladder)trans-89.7108.1-178.9-176.10000108.1W113 P133W113-V135 HydrophobicContact CD2-CG1 4.1Å; W113-V135 HydrophobicContact CE3-CB 4.44Å; W113-V135 HydrophobicContact CE3-CG1 2.95Å; W113-V135 HydrophobicContact CH2-CG1 4.22Å; W113-V135 HydrophobicContact CZ3-CB 4.36Å; W113-V135 HydrophobicContact CZ3-CG1 3.03Å; P133-V135 PolarHBondContact O-N 3.26Å; P133-V135 VanDerWaalsContact O-N 3.17Å
136I29.4Very low29.6Very low90 Ų9096.4 Ų96.446%0.46261%0.611SS.*EExtended strand (participates in β ladder)trans-92.2113.1173.8-56.3174.7000107.7V116V116-I136 HydrophobicContact CG2-CD1 3.68Å; V116-I136 HydrophobicContact CG2-CG1 4.3Å
137S29.3Very low29.9Very low67 Ų6799.9 Ų99.947%0.46962%0.616SS.*EExtended strand (participates in β ladder)trans-91.3114.2168.158.70000109.1
138A33.7Very low30.1Very low13 Ų13100.4 Ų100.411%0.10762%0.617CS.*EExtended strand (participates in β ladder)trans-107.6129.5166.400000109.2L112 V140L112-A138 PolarHBondContact N-O 2.75Å; A138-V140 PolarHBondContact O-N 2.78Å
139P30.3Very low30.6Very low70 Ų7099.8 Ų99.846%0.45562%0.616SS.*EExtended strand (participates in β ladder)trans-68.4116172.426.9-30.9000109.3V109V109-P139 HydrophobicContact CG1-CB 3.5Å
140V31.1Very low30.9Very low23 Ų2396.1 Ų96.114%0.13961%0.611CS.*EExtended strand (participates in β ladder)trans-87.1113.7168.1-176.10000107.8V109 S110 L112 A138 H142V109-V140 WeakPolarHBondContact CA-O 3.2Å; S110-V140 PolarHBondContact N-O 3.36Å; S110-V140 WeakPolarHBondContact O-CA 3.21Å; S110-V140 WeakPolarHBondContact O-CB 3.48Å; S110-V140 VanDerWaalsContact O-CG2 3.28Å; S110-V140 WeakPolarHBondContact O-CG2 3.4Å; S110-V140 PolarHBondContact O-N 3.08Å; L112-V140 HydrophobicContact CB-CG2 4.01Å; L112-V140 HydrophobicContact CD1-CG2 3.5Å; L112-V140 VanDerWaalsContact CD1-CG2 3.5Å; L112-V140 HydrophobicContact CG-CG2 3.61Å; A138-V140 PolarHBondContact O-N 2.78Å; V140-H142 PolarHBondContact O-N 2.84Å
141I28.7Very low30.9Very low96 Ų9697.9 Ų97.949%0.49261%0.61SS.*EExtended strand (participates in β ladder)trans-84108.7171.3-56.6175.1000107.3T143I141-T143 PolarHBondContact O-N 3.5Å
142H30Very low31Very low105 Ų10597.4 Ų97.449%0.48661%0.607SS.*  trans-76.1102.3169.4-72.4-74.4000109.3A108 S110 V140 G144A108-H142 PolarHBondContact O-CD2 3.04Å; S110-H142 WeakPolarHBondContact CB-NE2 3.06Å; S110-H142 PolarHBondContact OG-CD2 2.87Å; S110-H142 PolarHBondContact OG-NE2 3.25Å; V140-H142 PolarHBondContact O-N 2.84Å; H142-G144 PolarHBondContact O-N 3.45Å; H142-G144 VanDerWaalsContact O-N 3.16Å
143T33.1Very low31Very low127 Ų12798.1 Ų98.178%0.77961%0.613SS**  trans-73.9102.4160.757.60000107.2I141I141-T143 PolarHBondContact O-N 3.5Å
144G31.7Very low30.8Very low51 Ų5196.9 Ų96.953%0.52662%0.617SS.*  trans-53.7160.9171.700000111.5H142 Q146H142-G144 PolarHBondContact O-N 3.45Å; H142-G144 VanDerWaalsContact O-N 3.16Å; G144-Q146 PolarHBondContact O-N 3.33Å
145P32.1Very low30.7Very low127 Ų12799.8 Ų99.883%0.82563%0.628SS**  trans-60.3105.8176.424.9-30.9000108.8Q147P145-Q147 PolarHBondContact O-N 2.87Å
146Q36.2Very low30.6Very low192 Ų192100.1 Ų100.190%0.89764%0.64SS**  trans-62.4105.6169-100.9-169.2-24.100107.3G144G144-Q146 PolarHBondContact O-N 3.33Å
147Q31.7Very low30.3Very low178 Ų178103 Ų10383%0.83265%0.652SS**  trans-49.7119.8169.5-164.4171.3-14.200107.9P145P145-Q147 PolarHBondContact O-N 2.87Å
148P33.4Very low30.2Very low109 Ų109105.7 Ų105.771%0.70867%0.67SS**  trans-63.7133-175.924-31000108.6S150P148-S150 PolarHBondContact O-N 3.2Å
149P36.5Very low29.8Very low126 Ų126114.5 Ų114.582%0.81870%0.701SS**  trans-63.4112.2172.625.7-30.3000107.6
150S32.8Very low29.7Very low110 Ų110118.5 Ų118.577%0.76972%0.716SS**  trans-52.7142.3162.850.20000109.3P148P148-S150 PolarHBondContact O-N 3.2Å
151S28.7Very low29.4Very low118 Ų118123.1 Ų123.183%0.82574%0.739SS**  trans77.596.9168.1169.90000116.4
152S30.2Very low29.5Very low111 Ų111125.3 Ų125.378%0.77675%0.751SS**  159.4124.6115.1177.50000109.6
153A27.3Very low29.4Very low103 Ų103128.3 Ų128.385%0.85176%0.763SS**  trans-57.8138.1178.900000112.3
154G24.1Very low29.3Very low66 Ų66127.6 Ų127.668%0.6876%0.761SS**  trans115.3128.9163.200000114.6
155V26.8Very low29.4Very low124 Ų124130.7 Ų130.775%0.75277%0.771SS**  trans85.8104162.1-159.10000116.4H157V155-H157 PolarHBondContact O-N 3.32Å
156A25.1Very low29.3Very low97 Ų97131.9 Ų131.980%0.80277%0.771SS**  trans-70.3108.3168.400000111
157H24Very low29Very low151 Ų151130.9 Ų130.970%0.69977%0.766SS**  trans-147.691.2163.4-77.3-43.6000111.7V155 R159V155-H157 PolarHBondContact O-N 3.32Å; H157-R159 PolarHBondContact O-N 3.16Å
158S25.7Very low29Very low122 Ų122130.9 Ų130.985%0.85377%0.766SS**  trans-85.982.7157.558.70000108.6
159R26.8Very low28.8Very low199 Ų199132.1 Ų132.175%0.75178%0.777SS**  trans-96.499160.8-74.3-174.3178.2-1760.3107.1H157 I161H157-R159 PolarHBondContact O-N 3.16Å; R159-I161 HydrophobicContact CB-CG1 4.04Å; R159-I161 PolarHBondContact O-N 2.94Å
160I26.8Very low28.6Very low153 Ų153130 Ų13079%0.78577%0.77SS**  trans-70.9104.1156.8-61.3175.1000104.9L162I160-L162 HydrophobicContact CG2-CG 4.14Å; I160-L162 PolarHBondContact O-N 2.87Å
161I26.6Very low28.6Very low121 Ų121133.3 Ų133.362%0.62178%0.779SS**  trans-86.291.8177.2-57.8179.4000106.6R159 F163R159-I161 HydrophobicContact CB-CG1 4.04Å; R159-I161 PolarHBondContact O-N 2.94Å; I161-F163 HydrophobicContact CG2-CB 3.99Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CG 4.43Å; I161-F163 PolarHBondContact O-N 2.99Å
162L30Very low29Very low142 Ų142132.7 Ų132.774%0.74378%0.775SS**  trans-86.470.8161.7-70.1170.8000108I160I160-L162 HydrophobicContact CG2-CG 4.14Å; I160-L162 PolarHBondContact O-N 2.87Å
163F27.9Very low29.4Very low167 Ų167132 Ų13273%0.73278%0.776SS**  trans-127.5125.9165.1-76.2-87000106.6I161I161-F163 HydrophobicContact CG2-CB 3.99Å; I161-F163 HydrophobicContact CG2-CD2 3.88Å; I161-F163 HydrophobicContact CG2-CG 4.43Å; I161-F163 PolarHBondContact O-N 2.99Å
164P31.7Very low30.1Very low112 Ų112134.6 Ų134.673%0.72778%0.775SS**  trans-65.1134.315929.3-28.2000106.4N166P164-N166 PolarHBondContact O-N 3.19Å
165P32.5Very low31.3Very low116 Ų116137 Ų13775%0.75378%0.778SS**  trans-59.8114.6167.825.3-29.5000107E167P165-E167 PolarHBondContact O-N 3.29Å
166N29.8Very low32.2Very low152 Ų152137.3 Ų137.381%0.81378%0.781SS**SBendtrans-52.7139.3154.4-94.6-17.4000106.6P164P164-N166 PolarHBondContact O-N 3.19Å
167E29.8Very low33.2Very low171 Ų171137.8 Ų137.880%0.79978%0.775SS**  trans93.477.9-176.4-51-179.4-17100114.3P165P165-E167 PolarHBondContact O-N 3.29Å
168H31.9Very low34.7Very low179 Ų179136 Ų13683%0.82978%0.777SS**  -169.4113118-91.6-47.5000109.9A170H168-A170 PolarHBondContact O-N 2.96Å
169S30.1Very low36.2Very low135 Ų135136 Ų13694%0.94478%0.775SS**  trans-53106.3159.5-49.80000108.7
170A33Very low37.3Very low80 Ų80134 Ų13466%0.66178%0.778SS**  trans-138.699.6167.800000107.1H168 S172H168-A170 PolarHBondContact O-N 2.96Å; A170-S172 VanDerWaalsContact C-N 3.28Å; A170-S172 PolarHBondContact O-N 2.85Å
171D31.3Very low38.4Very low180 Ų180132.4 Ų132.496%0.96378%0.777SS**  trans-48.796.1160.5-77.6-47.7000108.3
172S37.1Very low39.3Very low105 Ų105133.5 Ų133.573%0.73479%0.79SS**  trans-111.4104173.9-162.80000107.4A170 L174A170-S172 VanDerWaalsContact C-N 3.28Å; A170-S172 PolarHBondContact O-N 2.85Å; S172-L174 PolarHBondContact O-N 2.93Å
173A38.9Very low39.6Very low98 Ų98129.8 Ų129.881%0.8179%0.787SS**  trans-59.696.517500000109.6
174L42.8Very low40.1Very low156 Ų156125.9 Ų125.982%0.81779%0.785SS**PPolyproline II helixtrans-59131.7165.1-78.5166000108.1S172 T176S172-L174 PolarHBondContact O-N 2.93Å; L174-T176 PolarHBondContact O-N 2.96Å
175P48.6Very low40.7Very low116 Ų116130.4 Ų130.475%0.75379%0.794SS**PPolyproline II helixtrans-61.4128.3177.524.2-31.6000109.6
176T46.7Very low41.3Very low132 Ų132130.9 Ų130.981%0.8179%0.788SS**PPolyproline II helixtrans-57.8125.6174.1-36.60000109L174L174-T176 PolarHBondContact O-N 2.96Å
177P44.5Very low42.3Very low106 Ų106126.8 Ų126.869%0.68877%0.767SS**PPolyproline II helixtrans-62.2144.517624-31.5000110.2
178P57.2Low43.5Very low113 Ų113123.4 Ų123.473%0.73476%0.759SS**PPolyproline II helixtrans-61.7148.117925.8-33.3000110.7L180P178-L180 PolarHBondContact O-N 3.25Å
179P56.2Low44.8Very low124 Ų124121.7 Ų121.781%0.80576%0.756SS**PPolyproline II helixtrans-60.7134.3176.725-32.2000110
180L49.6Very low46Very low155 Ų155122.3 Ų122.381%0.81275%0.746SS**PPolyproline II helixtrans-56.3138.4170.4-73164.6000108.8P178 T182P178-L180 PolarHBondContact O-N 3.25Å; L180-T182 PolarHBondContact O-N 3.04Å
181P50.9Low47Very low120 Ų120124 Ų12478%0.77974%0.744SS**  trans-57.4109.8177.121.7-30.5000109.2G183P181-G183 PolarHBondContact O-N 3.31Å
182T45.5Very low48.2Very low144 Ų144121 Ų12188%0.88373%0.734SS**  trans-70.821.4178.430.70000113.1L180L180-T182 PolarHBondContact O-N 3.04Å
183G35.8Very low49Very low65 Ų65125.3 Ų125.367%0.6774%0.739SS**  trans-146.568.4-160.600000113.5P181P181-G183 PolarHBondContact O-N 3.31Å
184A38.6Very low49.8Very low84 Ų84126 Ų12669%0.69474%0.736SS**  trans-156.574.7141.500000107.1I186A184-I186 PolarHBondContact O-N 3.01Å
185F43.9Very low50.5Low208 Ų208124.9 Ų124.991%0.91274%0.737SS**  trans-57.596.5153.2-89-91.9000105.7D187F185-D187 VanDerWaalsContact C-N 3.28Å; F185-D187 PolarHBondContact O-N 2.99Å
186I45.7Very low50.3Low126 Ų126123.2 Ų123.265%0.64674%0.741SS**  trans-66.1101.7164.1-58.8173.5000103.4A184 P188A184-I186 PolarHBondContact O-N 3.01Å; I186-P188 VanDerWaalsContact O-CD 3.25Å; I186-P188 WeakPolarHBondContact O-CD 3.44Å; I186-P188 VanDerWaalsContact O-N 3.08Å
187D51.2Low50.3Low66 Ų66121.9 Ų121.935%0.35374%0.738SS.*  trans-53.7117.8169.7175.52000106.7F185 N189 M190F185-D187 VanDerWaalsContact C-N 3.28Å; F185-D187 PolarHBondContact O-N 2.99Å; D187-N189 PolarHBondContact O-N 2.81Å; D187-N189 VanDerWaalsContact OD1-CB 3.31Å; D187-N189 WeakPolarHBondContact OD1-CB 3.25Å; D187-N189 PolarHBondContact OD1-N 2.77Å; D187-N189 PolarHBondContact OD1-ND2 3.18Å; D187-M190 HydrophobicContact CB-CB 4.12Å; D187-M190 HydrophobicContact CB-CG 3.64Å; D187-M190 WeakPolarHBondContact O-CB 3.31Å; D187-M190 PolarHBondContact O-N 2.66Å
188P54.5Low50.4Low100 Ų100125.3 Ų125.365%0.64975%0.749SS**THydrogen-bonded Turntrans-60-13-179.821.6-30.3000112.5I186I186-P188 VanDerWaalsContact O-CD 3.25Å; I186-P188 WeakPolarHBondContact O-CD 3.44Å; I186-P188 VanDerWaalsContact O-N 3.08Å
189N58.1Low50.2Low142 Ų142128.8 Ų128.876%0.75975%0.753SS**THydrogen-bonded Turntrans-90.6-6173.7-53.4-65.6000114.5D187D187-N189 PolarHBondContact O-N 2.81Å; D187-N189 VanDerWaalsContact OD1-CB 3.31Å; D187-N189 WeakPolarHBondContact OD1-CB 3.25Å; D187-N189 PolarHBondContact OD1-N 2.77Å; D187-N189 PolarHBondContact OD1-ND2 3.18Å
190M55.1Low50.1Low148 Ų148128.3 Ų128.373%0.72975%0.75SS**  trans-91.41.2175.1-72.2-89.1-176.200112.7D187D187-M190 HydrophobicContact CB-CB 4.12Å; D187-M190 HydrophobicContact CB-CG 3.64Å; D187-M190 WeakPolarHBondContact O-CB 3.31Å; D187-M190 PolarHBondContact O-N 2.66Å
191L55.3Low50.3Low117 Ų117128.8 Ų128.861%0.61375%0.752SS**SBendtrans-67.9126.3171.6-70.6171.8000109.4K193L191-K193 PolarHBondContact O-N 3.5Å
192P55.6Low50.5Low117 Ų117128.2 Ų128.276%0.7675%0.748SS**PPolyproline II helixtrans-58.8129.7177.522.3-30.7000109.6
193K55.1Low51.2Low195 Ų195127 Ų12785%0.84874%0.743SS**PPolyproline II helixtrans-56127.3173-75.8179.1179.61740108.3L191L191-K193 PolarHBondContact O-N 3.5Å
194P54.1Low51.9Low113 Ų113129.7 Ų129.773%0.73475%0.751SS**PPolyproline II helixtrans-58.2138.1174.622.8-30.9000108.7G196P194-G196 PolarHBondContact O-N 2.92Å
195P57.6Low51.8Low131 Ų131130.8 Ų130.885%0.85175%0.754SS**PPolyproline II helixtrans-57.8116.9179.421.6-30.7000109.3S197P195-S197 PolarHBondContact O-N 2.91Å
196G45.7Very low51.8Low81 Ų81125.6 Ų125.684%0.83574%0.743SS**PPolyproline II helixtrans-70.1116.7175.800000110.2P194P194-G196 PolarHBondContact O-N 2.92Å
197S46.5Very low51.6Low105 Ų105128.1 Ų128.173%0.73475%0.752SS**  trans-17692.5142.2-169.70000107.5P195 K199P195-S197 PolarHBondContact O-N 2.91Å; S197-K199 PolarHBondContact O-N 3.39Å
198L45.8Very low51Low178 Ų178129.5 Ų129.593%0.93277%0.767SS**  trans-64.789.3162.1-69.6166.2000107.3
199K53.6Low50.4Low185 Ų185133 Ų13380%0.80478%0.781SS**  trans-91.8112.1153.6-138.2174.8-173.2178.80105.6S197 L201S197-K199 PolarHBondContact O-N 3.39Å; K199-L201 PolarHBondContact O-N 2.92Å
200P54Low49.6Very low115 Ų115133 Ų13375%0.74778%0.78SS**PPolyproline II helixtrans-55.6128.7173.6-16.828.3000107.9
201L52.7Low48.9Very low165 Ų165131.7 Ų131.786%0.86478%0.781SS**PPolyproline II helixtrans-59.8127166.6-79.5157.1000107.1K199K199-L201 PolarHBondContact O-N 2.92Å
202P56.9Low48.1Very low107 Ų107131.1 Ų131.170%0.69579%0.785SS**PPolyproline II helixtrans-61144.2173.725.4-31.7000109.2S204P202-S204 PolarHBondContact O-N 3.03Å
203P60Low47.4Very low119 Ų119130.2 Ų130.277%0.77379%0.787SS**PPolyproline II helixtrans-59.8124.9176.124.6-31.7000109S205P203-S205 PolarHBondContact O-N 3.29Å
204S50.8Low46.9Very low121 Ų121127.6 Ų127.685%0.84679%0.787SS**  trans-70.997172.956.80000109.2P202P202-S204 PolarHBondContact O-N 3.03Å
205S35.9Very low46Very low107 Ų107129.3 Ų129.375%0.74879%0.79SS**  trans-111.998.2166.859.70000109.8P203P203-S205 PolarHBondContact O-N 3.29Å
206S43.9Very low45.3Very low99 Ų99131.5 Ų131.569%0.69279%0.789SS**  trans174.6123.6169.635.10000105.2
207Q40.3Very low45.1Very low179 Ų179133.3 Ų133.384%0.83679%0.789SS**  cis-167.1144.426.2-102.2156.4-5.700108.9
208S38.6Very low44.5Very low95 Ų95136.9 Ų136.966%0.66482%0.824SS**  trans49.4108.5144.266.50000120.5
209N43.1Very low44.5Very low174 Ų174134.8 Ų134.893%0.9382%0.819SS**  -139.2115115.7-106.2-14.7000108.5
210D40.6Very low44Very low141 Ų141132.2 Ų132.275%0.75482%0.82SS**  trans-64.3130-179.9-89-46.4000112.2
211T40.7Very low43.4Very low121 Ų121133.1 Ų133.174%0.74282%0.824SS**  trans43.5161.8134.527.60000122.8
212P38.8Very low42.9Very low106 Ų106131.2 Ų131.269%0.68882%0.821SS**  cis-132168.6-5.323.50.6000114.6V214P212-V214 PolarHBondContact O-N 2.82Å
213A41.6Very low42Very low98 Ų98132.8 Ų132.881%0.8183%0.829SS**  trans-54.6131.916400000111.1
214V43Very low40.8Very low139 Ų139133.7 Ų133.784%0.84283%0.833SS**  trans-87.9104165.7176.10000106.9P212P212-V214 PolarHBondContact O-N 2.82Å
215D36.8Very low40.1Very low149 Ų149134.6 Ų134.680%0.79783%0.832SS**  trans-113.3109.9158.7-168.75000106.7
216Q42.3Very low40.4Very low177 Ų177136.7 Ų136.783%0.82784%0.839SS**  trans-147.688.1167.4-70.6-164.328.700109.2
217S41.5Very low40.1Very low120 Ų120139.8 Ų139.884%0.83985%0.851SS**  trans45.7100.2141.9-54.90000118.6
218A34.3Very low40.1Very low179 Ų179136.3 Ų136.3100%1.47985%0.852SS**  trans-155.20133.700000109.1

Retrieved 218 of 218 residues in 312.5 ms (Link to these results)