A0A077ZAU8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M40Very low69.2Low233 Ų233127.4 Ų127.4100%1.14865%0.65SS**  0105.40-161.1172.7-173.400107.2I3M1-I3 PolarHBondContact O-N 2.97Å
2K44.9Very low70.1Confident214 Ų214133.5 Ų133.593%0.9366%0.659SS**  trans-77.7104.8174.8-88.6-179.4176.3175.50106.9G4K2-G4 PolarHBondContact O-N 3.15Å; K2-G4 VanDerWaalsContact O-N 3.13Å
3I60.9Low70.2Confident159 Ų159134.8 Ų134.882%0.81566%0.662SS**  trans-67.1108.6168.3-58.7172.1000105.3M1M1-I3 PolarHBondContact O-N 2.97Å
4G67.2Low70.3Confident57 Ų57132 Ų13259%0.58866%0.656SS**PPolyproline II helixtrans-69.7146.9169.500000109.4K2K2-G4 PolarHBondContact O-N 3.15Å; K2-G4 VanDerWaalsContact O-N 3.13Å
5L78.9Confident70.5Confident115 Ų115130.1 Ų130.160%0.60264%0.643SS**PPolyproline II helixtrans-60137.9171.5-65.5172.9000109.9E9L5-E9 WeakPolarHBondContact CA-OE2 3.45Å; L5-E9 HydrophobicContact CB-CB 4.09Å; L5-E9 HydrophobicContact CD2-CB 4.15Å
6T78.5Confident70.3Confident68 Ų68125.4 Ų125.442%0.41762%0.624SS.*PPolyproline II helixtrans-63.8156.7171.960.70000110.7T8 E9 R10T6-T8 PolarHBondContact O-N 2.88Å; T6-E9 PolarHBondContact N-OE2 3.45Å; T6-E9 PolarHBondContact O-N 3.29Å; T6-E9 VanDerWaalsContact OG1-CD 3.25Å; T6-E9 VanDerWaalsContact OG1-CG 3.22Å; T6-E9 WeakPolarHBondContact OG1-CG 3.44Å; T6-E9 PolarHBondContact OG1-N 3.19Å; T6-E9 PolarHBondContact OG1-OE2 3.26Å; T6-R10 PolarHBondContact O-N 2.91Å
7P76Confident70.2Confident87 Ų87128.2 Ų128.257%0.56564%0.642SS**Hα-helixtrans-53.8-36.8175.7-27.635.6000113.4R10 Y11P7-R10 PolarHBondContact O-N 2.97Å; P7-Y11 WeakPolarHBondContact O-CB 3.42Å; P7-Y11 VanDerWaalsContact O-CD2 3.29Å; P7-Y11 WeakPolarHBondContact O-CD2 3.34Å; P7-Y11 PolarHBondContact O-N 3.32Å
8T77.4Confident69.9Low84 Ų84124.3 Ų124.352%0.51563%0.626SS.*Hα-helixtrans-65.5-39.1176.8-46.90000112.3T6 R12 F15T6-T8 PolarHBondContact O-N 2.88Å; T8-R12 WeakPolarHBondContact O-CA 3.34Å; T8-R12 PolarHBondContact O-N 3.13Å; T8-F15 HydrophobicContact CG2-CB 4.23Å
9E81.2Confident69.6Low112 Ų112121.9 Ų121.952%0.52362%0.618SS.*Hα-helixtrans-71.2-38.5175-71.3165.5148.600111.9L5 T6L5-E9 WeakPolarHBondContact CA-OE2 3.45Å; L5-E9 HydrophobicContact CB-CB 4.09Å; L5-E9 HydrophobicContact CD2-CB 4.15Å; T6-E9 PolarHBondContact N-OE2 3.45Å; T6-E9 PolarHBondContact O-N 3.29Å; T6-E9 VanDerWaalsContact OG1-CD 3.25Å; T6-E9 VanDerWaalsContact OG1-CG 3.22Å; T6-E9 WeakPolarHBondContact OG1-CG 3.44Å; T6-E9 PolarHBondContact OG1-N 3.19Å; T6-E9 PolarHBondContact OG1-OE2 3.26Å
10R79.1Confident69.2Low161 Ų161117.6 Ų117.661%0.60861%0.605SS**Hα-helixtrans-70.8-36.4179.7-178.5177.1-83.6-176.1-4.6112.6T6 P7T6-R10 PolarHBondContact O-N 2.91Å; P7-R10 PolarHBondContact O-N 2.97Å
11Y77.7Confident68.8Low111 Ų111115.9 Ų115.944%0.43560%0.6SS.*THydrogen-bonded Turntrans-118.742.2-175.2-55.5-71.7000111.9P7 Q13 V14 F15P7-Y11 WeakPolarHBondContact O-CB 3.42Å; P7-Y11 VanDerWaalsContact O-CD2 3.29Å; P7-Y11 WeakPolarHBondContact O-CD2 3.34Å; P7-Y11 PolarHBondContact O-N 3.32Å; Y11-Q13 PolarHBondContact O-N 2.89Å; Y11-Q13 VanDerWaalsContact O-N 3.15Å; Y11-V14 PolarHBondContact O-N 3.36Å; Y11-F15 PolarHBondContact O-N 3.02Å
12R79.3Confident69.8Low201 Ų201109.6 Ų109.676%0.75857%0.566SS**THydrogen-bonded Turntrans-56.1-32.6-176.5-169.9176.7-178.7166.21.4113.4T8 V14T8-R12 WeakPolarHBondContact O-CA 3.34Å; T8-R12 PolarHBondContact O-N 3.13Å; R12-V14 VanDerWaalsContact C-N 3.26Å; R12-V14 PolarHBondContact O-N 3.02Å
13Q72.2Confident70.6Confident150 Ų150104.2 Ų104.270%0.70156%0.562SS**THydrogen-bonded Turntrans-71.2-18.1176.867.6-84.48.600114.2Y11Y11-Q13 PolarHBondContact O-N 2.89Å; Y11-Q13 VanDerWaalsContact O-N 3.15Å
14V71.5Confident70.6Confident96 Ų96100.9 Ų100.958%0.58257%0.567SS**THydrogen-bonded Turntrans-97.7-44.4-179.6-174.70000110.5Y11 R12 T16Y11-V14 PolarHBondContact O-N 3.36Å; R12-V14 VanDerWaalsContact C-N 3.26Å; R12-V14 PolarHBondContact O-N 3.02Å; V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.29Å
15F72.4Confident70.3Confident103 Ų103105.4 Ų105.445%0.45257%0.568SS.*SBendtrans-81.476.1174.8-67.1-72.7000110.2T8 Y11T8-F15 HydrophobicContact CG2-CB 4.23Å; Y11-F15 PolarHBondContact O-N 3.02Å
16T68.1Low69.6Low56 Ų56105.8 Ų105.834%0.34457%0.566SS.*  trans-116.3148.4179.3178.50000111.4V14 T18V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.29Å; T16-T18 VanDerWaalsContact CG2-O 3.29Å; T16-T18 WeakPolarHBondContact CG2-O 3.29Å; T16-T18 PolarHBondContact OG1-N 2.97Å; T16-T18 PolarHBondContact OG1-OG1 3.39Å
17N68.8Low69Low173 Ų173107.6 Ų107.693%0.92557%0.574SS**SBendtrans-87.14.7169.5-65.3-27.6000112
18T64.2Low68.5Low58 Ų58108 Ų10836%0.35657%0.574SS.*SBendtrans-107.8155.5178.666.10000110.6T16 G20 E67T16-T18 VanDerWaalsContact CG2-O 3.29Å; T16-T18 WeakPolarHBondContact CG2-O 3.29Å; T16-T18 PolarHBondContact OG1-N 2.97Å; T16-T18 PolarHBondContact OG1-OG1 3.39Å; T18-G20 PolarHBondContact O-N 3.4Å; T18-E67 HydrophobicContact CG2-CG 4.44Å
19V64.1Low68Low78 Ų78108.3 Ų108.347%0.47357%0.572SS.*PPolyproline II helixtrans-66.2125.6179.1172.90000110.3Q111V19-Q111 HydrophobicContact CG2-CG 4.21Å
20G61.1Low67.4Low35 Ų35110.3 Ų110.336%0.36158%0.581SS.*BIsolated β-bridgetrans-80.4157.4172.100000112.8T18T18-G20 PolarHBondContact O-N 3.4Å
21T60.7Low66.8Low82 Ų82107 Ų10750%0.50358%0.575SS.*PPolyproline II helixtrans-103.7123.9170-54.40000108.2A23 S116T21-A23 PolarHBondContact O-N 2.95Å; T21-S116 VanDerWaalsContact CA-OG 3.29Å; T21-S116 WeakPolarHBondContact CA-OG 3.4Å; T21-S116 WeakPolarHBondContact CG2-OG 3.3Å
22F62.7Low66.3Low101 Ų101107.7 Ų107.744%0.44358%0.58SS.*  trans-74.7106.7168.6-80.9-87.6000108.9I112 S116F22-I112 HydrophobicContact CD2-CG2 4.07Å; F22-I112 HydrophobicContact CE2-CB 4.06Å; F22-I112 HydrophobicContact CE2-CD1 3.93Å; F22-I112 HydrophobicContact CE2-CG1 3.71Å; F22-I112 HydrophobicContact CE2-CG2 3.59Å; F22-I112 HydrophobicContact CZ-CD1 4Å; F22-I112 HydrophobicContact CZ-CG1 4.09Å; F22-S116 PolarHBondContact N-OG 2.9Å; F22-S116 PolarHBondContact O-OG 3.34Å
23A61.6Low65.7Low101 Ų101106.3 Ų106.384%0.83559%0.586SS**THydrogen-bonded Turntrans-72.7130.7169.600000109.5T21T21-A23 PolarHBondContact O-N 2.95Å
24G60.1Low65.3Low90 Ų90108.2 Ų108.293%0.92860%0.595SS**THydrogen-bonded Turntrans87.23.7172.800000116.1
25Y61.3Low64.7Low151 Ų151107.4 Ų107.459%0.59259%0.586SS**  trans-105.6122.3169.8-174-96.7000109.4D27Y25-D27 HydrophobicContact CE1-CB 4.04Å
26E64.1Low64.3Low123 Ų123109.8 Ų109.858%0.57560%0.602SS**  trans-116.1124.7168.7-69.8-170.5162.700107.8
27D64.9Low64Low107 Ų107109.7 Ų109.757%0.57260%0.603SS**  trans-82.4126.8173.4-163.67.5000109Y25Y25-D27 HydrophobicContact CE1-CB 4.04Å
28V67Low64Low94 Ų94107.9 Ų107.957%0.5760%0.598SS**  trans-114.8104.9-178-179.60000108.5H30V28-H30 PolarHBondContact O-N 3Å
29L67Low64.2Low92 Ų92110.3 Ų110.348%0.48260%0.604SS.*  trans-83.9114.7176.7-171.170.5000110.7L31 L85L29-L31 HydrophobicContact CD2-CD2 3.9Å; L29-L31 HydrophobicContact CG-CD2 4.25Å; L29-L31 PolarHBondContact O-N 3.47Å; L29-L85 HydrophobicContact CD2-CD2 4.02Å
30H67.5Low64.7Low154 Ų154112.7 Ų112.771%0.71362%0.618SS**  trans-86.3105.9175.4-71-81.5000111.2V28V28-H30 PolarHBondContact O-N 3Å
31L66.9Low65.6Low92 Ų92116.7 Ų116.748%0.48264%0.641SS.*  trans-80.5137.9174.9-59.2178.3000110.9L29 L85 Q88L29-L31 HydrophobicContact CD2-CD2 3.9Å; L29-L31 HydrophobicContact CG-CD2 4.25Å; L29-L31 PolarHBondContact O-N 3.47Å; L31-L85 HydrophobicContact CD2-CD2 3.99Å; L31-Q88 VanDerWaalsContact CD2-OE1 3.26Å
32K67.2Low66.6Low125 Ų125121.7 Ų121.754%0.54365%0.651SS.*  trans-71.9130.7167.4-63.3-173.1-174171.10109.1E34 M35K32-E34 PolarHBondContact O-N 2.96Å; K32-M35 HydrophobicContact CB-CE 4.25Å; K32-M35 HydrophobicContact CD-CE 3.74Å; K32-M35 HydrophobicContact CG-CE 4.36Å; K32-M35 PolarHBondContact O-N 2.83Å
33I65.3Low67.7Low171 Ų171123 Ų12388%0.87767%0.67SS**THydrogen-bonded Turntrans-53.6-30.1-176.2-65.5170.9000112.5M35I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 2.97Å
34E65Low68.8Low190 Ų190121.7 Ų121.789%0.88865%0.648SS**THydrogen-bonded Turntrans-83.2-3.1-178-60.5179.2174.700114.3K32K32-E34 PolarHBondContact O-N 2.96Å
35M59.7Low70.1Confident79 Ų79120.6 Ų120.639%0.38962%0.624SS.*  trans-121.681.6-178.7-70.4-160.3-104.400110.1K32 I33 P37 Q88K32-M35 HydrophobicContact CB-CE 4.25Å; K32-M35 HydrophobicContact CD-CE 3.74Å; K32-M35 HydrophobicContact CG-CE 4.36Å; K32-M35 PolarHBondContact O-N 2.83Å; I33-M35 VanDerWaalsContact C-N 3.32Å; I33-M35 PolarHBondContact O-N 2.97Å; M35-P37 WeakPolarHBondContact O-CD 3.39Å; M35-Q88 HydrophobicContact CE-CG 4.46Å
36L63.8Low71.4Confident153 Ų153121.6 Ų121.680%0.80163%0.632SS**  trans-81.4104.1161.3-73.5170.1000107.6V38L36-V38 PolarHBondContact O-N 2.79Å
37P61.1Low72.6Confident55 Ų55120 Ų12036%0.35764%0.635SS.*  trans-74.6117.1-177.932.2-34.2000109.2M35 F39M35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-F39 HydrophobicContact CB-CD2 4.03Å; P37-F39 HydrophobicContact CB-CE1 4.14Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.42Å; P37-F39 VanDerWaalsContact CB-CZ 3.42Å; P37-F39 HydrophobicContact CG-CD2 4.28Å; P37-F39 HydrophobicContact CG-CE2 3.49Å; P37-F39 VanDerWaalsContact CG-CE2 3.49Å; P37-F39 HydrophobicContact CG-CZ 3.94Å
38V68.3Low73.4Confident135 Ų135119.5 Ų119.582%0.81863%0.629SS**  trans-90.5104.7168.6-178.50000107.3L36L36-V38 PolarHBondContact O-N 2.79Å
39F68.2Low74.2Confident109 Ų109120.1 Ų120.148%0.47862%0.624SS.*PPolyproline II helixtrans-95.6126175.8-61.2-69.7000110.3P37 L85P37-F39 HydrophobicContact CB-CD2 4.03Å; P37-F39 HydrophobicContact CB-CE1 4.14Å; P37-F39 HydrophobicContact CB-CE2 3.36Å; P37-F39 HydrophobicContact CB-CZ 3.42Å; P37-F39 VanDerWaalsContact CB-CZ 3.42Å; P37-F39 HydrophobicContact CG-CD2 4.28Å; P37-F39 HydrophobicContact CG-CE2 3.49Å; P37-F39 VanDerWaalsContact CG-CE2 3.49Å; P37-F39 HydrophobicContact CG-CZ 3.94Å; F39-L85 HydrophobicContact CE2-CD1 4.19Å; F39-L85 HydrophobicContact CZ-CD1 3.85Å; F39-L85 HydrophobicContact CZ-CG 4Å
40T74.7Confident75.1Confident127 Ų127120 Ų12078%0.77963%0.628SS**PPolyproline II helixtrans-96.4134.1165.953.60000109.4R42T40-R42 PolarHBondContact O-N 3.23Å
41S80.3Confident75.7Confident120 Ų120116.6 Ų116.684%0.83961%0.613SS**PPolyproline II helixtrans-66.4133.7176.8-71.70000110.1
42R82.5Confident76.3Confident186 Ų186113.8 Ų113.870%0.70260%0.599SS**PPolyproline II helixtrans-68.3137173.6-63.9-177.1-171.2-120.66.2109.6T40 I44 D81T40-R42 PolarHBondContact O-N 3.23Å; R42-I44 PolarHBondContact O-N 2.91Å; R42-D81 IonicContact CZ-OD2 3.81Å; R42-D81 IonicContact NH2-OD2 2.73Å; R42-D81 PolarHBondContact NH2-OD2 3.02Å
43P85.9Confident77Confident130 Ų130111 Ų11184%0.84459%0.593SS**PPolyproline II helixtrans-57.3129174-24.533.7000111.2
44I84.3Confident77.5Confident72 Ų72109.4 Ų109.437%0.36958%0.58SS.*PPolyproline II helixtrans-98.8124.2179.8-55-179.6000108.7R42 F46 Q48 K49 V52R42-I44 PolarHBondContact O-N 2.91Å; I44-F46 PolarHBondContact O-N 2.81Å; I44-Q48 HydrophobicContact CG2-CB 3.99Å; I44-K49 HydrophobicContact CB-CG 4.39Å; I44-K49 HydrophobicContact CG2-CG 4.1Å; I44-V52 HydrophobicContact CD1-CB 4.28Å; I44-V52 HydrophobicContact CD1-CG1 3.72Å; I44-V52 HydrophobicContact CD1-CG2 4.22Å; I44-V52 HydrophobicContact CG2-CG2 4.01Å
45P87.5Confident77.8Confident67 Ų67101 Ų10144%0.43554%0.542SS..PPolyproline II helixtrans-52.4138.4173-25.934.2000111.4S47 Q48 K49P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.13Å; P45-Q48 HydrophobicContact CB-CG 4.41Å; P45-Q48 PolarHBondContact O-N 2.73Å; P45-K49 PolarHBondContact O-N 3.19Å
46F88.3Confident78.5Confident173 Ų173102.4 Ų102.476%0.75955%0.548SS*.G310 helixtrans-54.6-38.2-176-177.1-96.6000112.8I44 Q48 K49I44-F46 PolarHBondContact O-N 2.81Å; F46-Q48 PolarHBondContact O-N 3.11Å; F46-K49 HydrophobicContact CD2-CD 4.2Å; F46-K49 PolarHBondContact O-N 3.4Å
47S88.4Confident78.9Confident90 Ų90103.5 Ų103.563%0.62954%0.541SS*.G310 helixtrans-61.6-21.8176.754.70000114.4P45P45-S47 PolarHBondContact O-N 3.46Å; P45-S47 VanDerWaalsContact O-N 3.13Å
48Q83Confident79.2Confident96 Ų96104 Ų10445%0.44954%0.54SS..G310 helixtrans-101.2-17.8-178.3-65.8-178.6-10.500113.1I44 P45 F46 P50 Q51 V52I44-Q48 HydrophobicContact CG2-CB 3.99Å; P45-Q48 HydrophobicContact CB-CG 4.41Å; P45-Q48 PolarHBondContact O-N 2.73Å; F46-Q48 PolarHBondContact O-N 3.11Å; Q48-P50 VanDerWaalsContact C-CD 3.48Å; Q48-Q51 PolarHBondContact O-N 3.42Å; Q48-V52 PolarHBondContact O-N 2.86Å
49K83.7Confident79.1Confident106 Ų10699.3 Ų99.346%0.46152%0.518SS..Hα-helixtrans-49.5-47.1-179.9-71.7-175177.6-174.60113.1I44 P45 F46 Q51 V52 T53I44-K49 HydrophobicContact CB-CG 4.39Å; I44-K49 HydrophobicContact CG2-CG 4.1Å; P45-K49 PolarHBondContact O-N 3.19Å; F46-K49 HydrophobicContact CD2-CD 4.2Å; F46-K49 PolarHBondContact O-N 3.4Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.32Å; K49-V52 PolarHBondContact O-N 3.37Å; K49-T53 WeakPolarHBondContact O-CB 3.1Å; K49-T53 PolarHBondContact O-N 3.3Å; K49-T53 PolarHBondContact O-OG1 3.12Å
50P84.7Confident78.8Confident89 Ų89100.2 Ų100.258%0.57853%0.527SS*.Hα-helixtrans-61.3-37.5179.5-23.334.7000113.4Q48 K54Q48-P50 VanDerWaalsContact C-CD 3.48Å; P50-K54 WeakPolarHBondContact O-CB 3.17Å; P50-K54 PolarHBondContact O-N 3.2Å
51Q80.3Confident77.9Confident84 Ų8497.1 Ų97.139%0.39351%0.514SS..Hα-helixtrans-71.6-43.1-179-60.6-177.551.500111.1Q48 K49 K54 A55 C76Q48-Q51 PolarHBondContact O-N 3.42Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.32Å; Q51-K54 PolarHBondContact O-N 3.37Å; Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 2.8Å; Q51-C76 HydrophobicContact CB-CB 3.91Å
52V79.8Confident76.6Confident32 Ų3294.8 Ų94.819%0.19449%0.49CS..Hα-helixtrans-63.5-47.1175175.60000110.4I44 Q48 K49 K54 A55 H56 L78I44-V52 HydrophobicContact CD1-CB 4.28Å; I44-V52 HydrophobicContact CD1-CG1 3.72Å; I44-V52 HydrophobicContact CD1-CG2 4.22Å; I44-V52 HydrophobicContact CG2-CG2 4.01Å; Q48-V52 PolarHBondContact O-N 2.86Å; K49-V52 PolarHBondContact O-N 3.37Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 3.21Å; V52-A55 PolarHBondContact O-N 2.99Å; V52-H56 VanDerWaalsContact O-CB 3.29Å; V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 3.36Å; V52-L78 HydrophobicContact CB-CD2 4.28Å; V52-L78 HydrophobicContact CG1-CD2 3.75Å; V52-L78 HydrophobicContact CG2-CD2 4.28Å
53T81.5Confident74.9Confident66 Ų6690.1 Ų90.141%0.40549%0.486SS..Hα-helixtrans-61.2-40.9178.1-58.10000111.6K49 H56 R57K49-T53 WeakPolarHBondContact O-CB 3.1Å; K49-T53 PolarHBondContact O-N 3.3Å; K49-T53 PolarHBondContact O-OG1 3.12Å; T53-H56 PolarHBondContact O-N 2.96Å; T53-R57 WeakPolarHBondContact O-CB 3.41Å; T53-R57 WeakPolarHBondContact O-CG 3.24Å; T53-R57 PolarHBondContact O-N 2.87Å
54K77.4Confident72.6Confident139 Ų13990.7 Ų90.760%0.60448%0.479SS*.Hα-helixtrans-61-50.7174.2-174.7-176.3176.6-179.20110.8P50 Q51 V52 H56 R57 M58P50-K54 WeakPolarHBondContact O-CB 3.17Å; P50-K54 PolarHBondContact O-N 3.2Å; Q51-K54 PolarHBondContact O-N 3.37Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 3.21Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.39Å; K54-R57 PolarHBondContact O-N 3.44Å; K54-M58 HydrophobicContact CD-CE 4.44Å; K54-M58 HydrophobicContact CG-CE 4.05Å; K54-M58 HydrophobicContact CG-CG 4.48Å; K54-M58 HydrophobicContact CG-SD 4.13Å; K54-M58 VanDerWaalsContact O-CG 3.3Å; K54-M58 WeakPolarHBondContact O-CG 3.35Å; K54-M58 PolarHBondContact O-N 3.44Å
55A71.3Confident70.6Confident12 Ų1298.2 Ų98.210%0.09950%0.503CS..Hα-helixtrans-64.4-35.4-179.900000112.8Q51 V52 M58 G59 L78Q51-A55 WeakPolarHBondContact O-CB 3.47Å; Q51-A55 PolarHBondContact O-N 2.8Å; V52-A55 PolarHBondContact O-N 2.99Å; A55-M58 HydrophobicContact CB-CE 4.35Å; A55-M58 PolarHBondContact O-N 2.72Å; A55-G59 PolarHBondContact O-N 3.23Å; A55-L78 VanDerWaalsContact C-CD1 3.42Å; A55-L78 HydrophobicContact CB-CD1 3.52Å; A55-L78 HydrophobicContact CB-CD2 4.28Å; A55-L78 HydrophobicContact CB-CG 3.53Å
56H74.6Confident68.5Low110 Ų11099.7 Ų99.751%0.50951%0.507SS..Hα-helixtrans-66.8-44.6175.8179.4-98.7000110.8V52 T53 K54 G59 L60 L78V52-H56 VanDerWaalsContact O-CB 3.29Å; V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 3.36Å; T53-H56 PolarHBondContact O-N 2.96Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.39Å; H56-G59 PolarHBondContact O-N 2.82Å; H56-L60 WeakPolarHBondContact CE1-CD1 3.48Å; H56-L60 WeakPolarHBondContact O-CG 3.29Å; H56-L60 PolarHBondContact O-N 3.21Å; H56-L78 HydrophobicContact CB-CD1 4.15Å; H56-L78 VanDerWaalsContact N-CD1 3.33Å
57R71.9Confident66.3Low176 Ų17699 Ų9966%0.66451%0.507SS*.Hα-helixtrans-61.8-42.2173-74.6-178.9-176.5-177.91.4111.8T53 K54 L60 A61T53-R57 WeakPolarHBondContact O-CB 3.41Å; T53-R57 WeakPolarHBondContact O-CG 3.24Å; T53-R57 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.44Å; R57-L60 PolarHBondContact O-N 3.34Å; R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 2.87Å
58M67Low64.1Low66 Ų66101.9 Ų101.933%0.32552%0.515SS..Hα-helixtrans-66.3-41.3176.8-69.6-176.4-48.900111.5K54 A55 L60 A61 H62K54-M58 HydrophobicContact CD-CE 4.44Å; K54-M58 HydrophobicContact CG-CE 4.05Å; K54-M58 HydrophobicContact CG-CG 4.48Å; K54-M58 HydrophobicContact CG-SD 4.13Å; K54-M58 VanDerWaalsContact O-CG 3.3Å; K54-M58 WeakPolarHBondContact O-CG 3.35Å; K54-M58 PolarHBondContact O-N 3.44Å; A55-M58 HydrophobicContact CB-CE 4.35Å; A55-M58 PolarHBondContact O-N 2.72Å; M58-L60 VanDerWaalsContact C-N 3.33Å; M58-L60 PolarHBondContact O-N 2.92Å; M58-A61 CarbonylContact O-C 3.55Å; M58-A61 PolarHBondContact O-N 2.96Å; M58-H62 VanDerWaalsContact O-CB 3.24Å; M58-H62 WeakPolarHBondContact O-CB 3.47Å; M58-H62 PolarHBondContact O-CD2 3.2Å; M58-H62 PolarHBondContact O-N 3.47Å
59G66.6Low62.5Low35 Ų35108 Ų10836%0.36153%0.534SS..Hα-helixtrans-61.5-39.5175.500000112.9A55 H56A55-G59 PolarHBondContact O-N 3.23Å; H56-G59 PolarHBondContact O-N 2.82Å
60L61.8Low60.5Low128 Ų128107.6 Ų107.667%0.6754%0.544SS*.Hα-helixtrans-72.9-35.3173-70.4175.4000112.9H56 R57 M58H56-L60 WeakPolarHBondContact CE1-CD1 3.48Å; H56-L60 WeakPolarHBondContact O-CG 3.29Å; H56-L60 PolarHBondContact O-N 3.21Å; R57-L60 PolarHBondContact O-N 3.34Å; M58-L60 VanDerWaalsContact C-N 3.33Å; M58-L60 PolarHBondContact O-N 2.92Å
61A54.7Low58.6Low62 Ų62112.9 Ų112.951%0.51256%0.561SS.*Hα-helixtrans-82.2-17.2-178.600000113.4R57 M58 S63 M64R57-A61 WeakPolarHBondContact O-CB 3.29Å; R57-A61 PolarHBondContact O-N 2.87Å; M58-A61 CarbonylContact O-C 3.55Å; M58-A61 PolarHBondContact O-N 2.96Å; A61-S63 PolarHBondContact O-N 2.95Å; A61-M64 PolarHBondContact O-N 3.03Å
62H52.9Low56.7Low71 Ų71112.7 Ų112.733%0.32957%0.569SS.*THydrogen-bonded Turntrans-74.456.3174.8-79.7-27.2000112.3M58 D66 L115M58-H62 VanDerWaalsContact O-CB 3.24Å; M58-H62 WeakPolarHBondContact O-CB 3.47Å; M58-H62 PolarHBondContact O-CD2 3.2Å; M58-H62 PolarHBondContact O-N 3.47Å; H62-D66 IonicContact CE1-OD2 3.23Å; H62-D66 PolarHBondContact CE1-OD2 2.76Å; H62-D66 VanDerWaalsContact CE1-OD2 3.23Å; H62-D66 IonicContact NE2-OD2 3.77Å; H62-L115 HydrophobicContact CB-CD1 3.87Å
63S46.9Very low55.3Low88 Ų88117.8 Ų117.862%0.61561%0.606SS**THydrogen-bonded Turntrans-97.1-5.9135.8-163.70000111.3A61A61-S63 PolarHBondContact O-N 2.95Å
64M38.7Very low54Low143 Ų143118.8 Ų118.870%0.70462%0.616SS**SBendtrans-140.8119.8-179.4-62-163.2-67.700112.6A61A61-M64 PolarHBondContact O-N 3.03Å
65R41Very low53.4Low230 Ų230116.2 Ų116.287%0.86862%0.616SS**  trans36.6108.9148.8-55.5178-163.8173.44.2117.9
66D43.5Very low52.9Low98 Ų98118.2 Ų118.252%0.52463%0.628SS.*  trans-123.484.8143.2-91.7-34000109.5H62 N68H62-D66 IonicContact CE1-OD2 3.23Å; H62-D66 PolarHBondContact CE1-OD2 2.76Å; H62-D66 VanDerWaalsContact CE1-OD2 3.23Å; H62-D66 IonicContact NE2-OD2 3.77Å; D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 2.77Å
67E42.3Very low52.6Low159 Ų159120.7 Ų120.774%0.74364%0.637SS**  trans-79.686.5148.8-71.4-171.3140.900106.3T18T18-E67 HydrophobicContact CG2-CG 4.44Å
68N42.1Very low52.5Low150 Ų150116.2 Ų116.280%0.80263%0.626SS**  trans175.773.8157.8-88.6-31.7000109.8D66 S70D66-N68 VanDerWaalsContact C-N 3.32Å; D66-N68 PolarHBondContact O-N 2.77Å; N68-S70 PolarHBondContact O-N 3.1Å; N68-S70 VanDerWaalsContact O-N 3.11Å
69R50.2Low52.8Low224 Ų224118.8 Ų118.885%0.84565%0.649SS**  trans-80.688.7169.9-157.6175.9-172179.4-0.2108.3E71R69-E71 PolarHBondContact O-N 3.07Å
70S41.4Very low53.1Low98 Ų98122 Ų12269%0.68567%0.665SS**  trans-69.6115.3163.465.30000108.3N68 S72N68-S70 PolarHBondContact O-N 3.1Å; N68-S70 VanDerWaalsContact O-N 3.11Å; S70-S72 PolarHBondContact O-N 3.05Å
71E44.1Very low53.7Low199 Ų199120 Ų12093%0.9366%0.655SS**  trans-65.874.9173.8-66.8175.5145.300111.1R69R69-E71 PolarHBondContact O-N 3.07Å
72S42.3Very low54.6Low80 Ų80121.4 Ų121.456%0.55965%0.654SS**  trans-105.6117.9160.962.30000107.7S70 S74S70-S72 PolarHBondContact O-N 3.05Å; S72-S74 PolarHBondContact O-N 3.5Å
73S49.7Very low55.5Low139 Ų139125.2 Ų125.297%0.97267%0.672SS**SBendtrans-71.526.5-157.481.40000117
74S54.2Low56.5Low88 Ų88124.6 Ų124.662%0.61567%0.667SS**  trans-130.861.4176.267.40000110.7S72 C76S72-S74 PolarHBondContact O-N 3.5Å; S74-C76 PolarHBondContact O-N 3.35Å
75S64.9Low57.8Low85 Ų85119.7 Ų119.759%0.59464%0.644SS**  trans-77.4102.1173.764.90000109.5K77S75-K77 PolarHBondContact O-N 3.47Å
76C60Low58.9Low53 Ų53111.9 Ų111.936%0.35863%0.629SS.*  trans-64125.4166.5-178.70000109.1Q51 S74Q51-C76 HydrophobicContact CB-CB 3.91Å; S74-C76 PolarHBondContact O-N 3.35Å
77K69.4Low59.7Low163 Ų163111.7 Ų111.771%0.70963%0.631SS**  trans-104.4136.4173.2-65.7-178.2-179178.20108.7S75S75-K77 PolarHBondContact O-N 3.47Å
78L69.2Low60.5Low82 Ų82105.9 Ų105.943%0.42960%0.604SS.*  trans-82.4131.2169.8-69.1175000109.4V52 A55 H56V52-L78 HydrophobicContact CB-CD2 4.28Å; V52-L78 HydrophobicContact CG1-CD2 3.75Å; V52-L78 HydrophobicContact CG2-CD2 4.28Å; A55-L78 VanDerWaalsContact C-CD1 3.42Å; A55-L78 HydrophobicContact CB-CD1 3.52Å; A55-L78 HydrophobicContact CB-CD2 4.28Å; A55-L78 HydrophobicContact CB-CG 3.53Å; H56-L78 HydrophobicContact CB-CD1 4.15Å; H56-L78 VanDerWaalsContact N-CD1 3.33Å
79C72.9Confident61.4Low120 Ų120103.7 Ų103.781%0.81159%0.592SS**  trans-124.3123.7172.3-660000108.1
80C74Confident61.7Low102 Ų102101.9 Ų101.969%0.68959%0.594SS**  trans-84.3133171.7-60.40000108.9N82C80-N82 WeakPolarHBondContact CB-OD1 3.41Å; C80-N82 PolarHBondContact O-N 3.12Å; C80-N82 VanDerWaalsContact O-N 3.12Å
81D73.9Confident62.9Low85 Ų85105.3 Ų105.346%0.45560%0.598SS.*  trans-81.388.5173-172.8-2.9000109.2R42 Q83R42-D81 IonicContact CZ-OD2 3.81Å; R42-D81 IonicContact NH2-OD2 2.73Å; R42-D81 PolarHBondContact NH2-OD2 3.02Å; D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.22Å; D81-Q83 PolarHBondContact OD1-N 3.26Å
82N72.6Confident63.6Low92 Ų92104.1 Ų104.149%0.49259%0.593SS.*  trans-91.815.1-178-66.2-20.1000112.4C80 S84 L85 A86C80-N82 WeakPolarHBondContact CB-OD1 3.41Å; C80-N82 PolarHBondContact O-N 3.12Å; C80-N82 VanDerWaalsContact O-N 3.12Å; N82-S84 PolarHBondContact O-N 3.15Å; N82-L85 PolarHBondContact O-N 3.03Å; N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 2.99Å
83Q72.3Confident64.7Low152 Ų152105.2 Ų105.271%0.7160%0.601SS**THydrogen-bonded Turntrans-57.6-38.4-173.5-170.8176.439.700112.5D81 L85D81-Q83 VanDerWaalsContact C-N 3.3Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.22Å; D81-Q83 PolarHBondContact OD1-N 3.26Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.97Å
84S68Low65.7Low74 Ų74103.4 Ų103.452%0.51759%0.588SS.*THydrogen-bonded Turntrans-66.8-32.7176.8-51.10000113N82 T87N82-S84 PolarHBondContact O-N 3.15Å; S84-T87 PolarHBondContact O-OG1 2.72Å
85L65.9Low66.7Low40 Ų40110.7 Ų110.721%0.20960%0.602CS.*THydrogen-bonded Turntrans-81.1-35.5179.3-71.7154.2000112L29 L31 F39 N82 Q83 T87 Q88L29-L85 HydrophobicContact CD2-CD2 4.02Å; L31-L85 HydrophobicContact CD2-CD2 3.99Å; F39-L85 HydrophobicContact CE2-CD1 4.19Å; F39-L85 HydrophobicContact CZ-CD1 3.85Å; F39-L85 HydrophobicContact CZ-CG 4Å; N82-L85 PolarHBondContact O-N 3.03Å; Q83-L85 VanDerWaalsContact C-N 3.32Å; Q83-L85 PolarHBondContact O-N 2.97Å; L85-T87 PolarHBondContact O-N 3.32Å; L85-Q88 WeakPolarHBondContact O-CB 2.95Å; L85-Q88 PolarHBondContact O-N 3.23Å; L85-Q88 VanDerWaalsContact O-N 3.12Å
86A64.1Low66.7Low67 Ų67116.6 Ų116.655%0.55462%0.617SS**THydrogen-bonded Turntrans-63-14.3-175.300000114.3N82 Q88N82-A86 WeakPolarHBondContact O-CB 3.32Å; N82-A86 PolarHBondContact O-N 2.99Å; A86-Q88 PolarHBondContact O-N 3.38Å
87T60.5Low67.3Low94 Ų94122.5 Ų122.558%0.57764%0.64SS**THydrogen-bonded Turntrans-72-7175.661.60000113.7S84 L85S84-T87 PolarHBondContact O-OG1 2.72Å; L85-T87 PolarHBondContact O-N 3.32Å
88Q59.1Low67.2Low36 Ų36123.8 Ų123.817%0.16865%0.648CS.*SBendtrans-103.6-20.9-170.4-63.1-176.9-32.800114.3L31 M35 L85 A86L31-Q88 VanDerWaalsContact CD2-OE1 3.26Å; M35-Q88 HydrophobicContact CE-CG 4.46Å; L85-Q88 WeakPolarHBondContact O-CB 2.95Å; L85-Q88 PolarHBondContact O-N 3.23Å; L85-Q88 VanDerWaalsContact O-N 3.12Å; A86-Q88 PolarHBondContact O-N 3.38Å
89D60.1Low67.2Low105 Ų105126 Ų12656%0.56166%0.66SS**  trans-123.7121.5-175.5-170.326.1000111.4
90Q58.2Low66.7Low186 Ų186127.3 Ų127.387%0.86966%0.659SS**  trans-123.892.4176.1-72.9-169.9-4.500108.5
91H65.5Low66.1Low170 Ų170126.6 Ų126.679%0.78767%0.669SS**  trans-78.3123.8165.1-165.3-71.5000109.4S93H91-S93 PolarHBondContact O-N 3.44Å
92Q59.6Low65.4Low174 Ų174131.8 Ų131.881%0.81369%0.69SS**  trans-73.3116175.1-167.317313.800109.1
93S64.5Low65.2Low103 Ų103132.5 Ų132.572%0.7270%0.698SS**PPolyproline II helixtrans-94.9125.7168.9-172.20000108.9H91H91-S93 PolarHBondContact O-N 3.44Å
94S70Confident64.7Low101 Ų101133.8 Ų133.871%0.70671%0.709SS**PPolyproline II helixtrans-72.3137.9172.6-60.70000109.6
95R75.3Confident64.8Low241 Ų241136.1 Ų136.191%0.90971%0.714SS**PPolyproline II helixtrans-68.6137.8167.5-72.2-175.6175.7-177.8-1.3108.9E97R95-E97 PolarHBondContact O-N 3.3Å
96F66.4Low64.9Low208 Ų208139.2 Ų139.291%0.91274%0.74SS**PPolyproline II helixtrans-69.3128.3172.7-68.5-83.2000109.6
97E72.3Confident65.3Low178 Ų178142.8 Ų142.883%0.83275%0.754SS**PPolyproline II helixtrans-84.8145.8165.8-66.2-176168.400109.3R95 L99R95-E97 PolarHBondContact O-N 3.3Å; E97-L99 PolarHBondContact O-N 2.83Å
98E67.7Low65.8Low190 Ų190143.8 Ų143.889%0.88876%0.755SS**PPolyproline II helixtrans-66.3122.3-178.1-167.4171.5-178.800110.3
99L67.7Low66.4Low129 Ų129148.9 Ų148.968%0.67578%0.783SS**PPolyproline II helixtrans-78.4124.7175.4-67.7169.9000109.1E97 G101 L105E97-L99 PolarHBondContact O-N 2.83Å; L99-G101 PolarHBondContact O-N 3.25Å; L99-L105 HydrophobicContact CD1-CD2 3.81Å
100N63.1Low66.7Low147 Ų147149 Ų14979%0.78678%0.783SS**PPolyproline II helixtrans-61.3133.7176.9-73.8-18.8000111.2E102N100-E102 PolarHBondContact O-N 2.81Å
101G61.8Low67.1Low87 Ų87145.8 Ų145.890%0.89777%0.768SS**THydrogen-bonded Turntrans-7031.8-160.300000119.1L99L99-G101 PolarHBondContact O-N 3.25Å
102E58.3Low66.8Low194 Ų194142.1 Ų142.191%0.90775%0.753SS**THydrogen-bonded Turntrans-102.75.3179.6-64.4-168.9157.500114.1N100N100-E102 PolarHBondContact O-N 2.81Å
103T69Low66.6Low107 Ų107134.2 Ų134.266%0.65672%0.719SS**SBendtrans-120.7136.1-174.4-48.80000111.9L105T103-L105 PolarHBondContact O-N 3.48Å
104L61Low66.2Low179 Ų179137.5 Ų137.594%0.93773%0.727SS**  trans-66.5121.6167.8-71.4171.5000109.5
105L70.1Confident65.4Low122 Ų122137.5 Ų137.564%0.63972%0.718SS**  trans-102.4136.2-179.9-62.4172.3000110.8L99 T103L99-L105 HydrophobicContact CD1-CD2 3.81Å; T103-L105 PolarHBondContact O-N 3.48Å
106S68.2Low63.9Low106 Ų106127.1 Ų127.174%0.74168%0.682SS**  trans-110.9120.6166.361.20000109.3
107V72.8Confident62.9Low142 Ų142121 Ų12186%0.86166%0.659SS**  trans-96.8124.2174.8-177.30000108.3
108I71.8Confident61.8Low115 Ų115120.4 Ų120.459%0.5965%0.654SS**  trans-115.2112.3175.4-58.6174.6000106.9L110I108-L110 HydrophobicContact CG2-CD2 3.93Å; I108-L110 HydrophobicContact CG2-CG 4.45Å
109D71.2Confident60.2Low143 Ų143115.8 Ų115.877%0.76564%0.635SS**  trans-84.9117.9169.9-168.38000108.7
110L66.8Low58.5Low106 Ų106114.8 Ų114.856%0.55564%0.637SS**  trans-89.7112.7178.8-65.1175.7000108.2I108 I112I108-L110 HydrophobicContact CG2-CD2 3.93Å; I108-L110 HydrophobicContact CG2-CG 4.45Å; L110-I112 HydrophobicContact CB-CD1 4.12Å; L110-I112 HydrophobicContact CB-CG1 3.69Å; L110-I112 HydrophobicContact CD1-CD1 4.39Å; L110-I112 PolarHBondContact O-N 3.45Å
111Q66.2Low56.8Low120 Ų120114.5 Ų114.556%0.56163%0.634SS**  trans-74.173.1169.7-166.768.737.600109.7V19 G113V19-Q111 HydrophobicContact CG2-CG 4.21Å; Q111-G113 PolarHBondContact O-N 3.28Å
112I59.8Low55.2Low92 Ų92121.7 Ų121.747%0.47263%0.634SS.*BIsolated β-bridgetrans-72.6124.2-178.4-57.4-173.1000109.7F22 L110 I114F22-I112 HydrophobicContact CD2-CG2 4.07Å; F22-I112 HydrophobicContact CE2-CB 4.06Å; F22-I112 HydrophobicContact CE2-CD1 3.93Å; F22-I112 HydrophobicContact CE2-CG1 3.71Å; F22-I112 HydrophobicContact CE2-CG2 3.59Å; F22-I112 HydrophobicContact CZ-CD1 4Å; F22-I112 HydrophobicContact CZ-CG1 4.09Å; L110-I112 HydrophobicContact CB-CD1 4.12Å; L110-I112 HydrophobicContact CB-CG1 3.69Å; L110-I112 HydrophobicContact CD1-CD1 4.39Å; L110-I112 PolarHBondContact O-N 3.45Å; I112-I114 PolarHBondContact O-N 3.2Å
113G53.9Low53.7Low8 Ų8118.1 Ų118.18%0.08263%0.626CS.*  trans-82.6111.3169.700000111.6Q111 L115 S116Q111-G113 PolarHBondContact O-N 3.28Å; G113-L115 PolarHBondContact O-N 3.41Å; G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 3.06Å
114I57.1Low51.8Low173 Ų173118.8 Ų118.889%0.88763%0.63SS**THydrogen-bonded Turntrans-59.8-12.8163.5-57.5172.8000110.9I112 S116I112-I114 PolarHBondContact O-N 3.2Å; I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 3.15Å
115L52.6Low50.2Low101 Ų101118.8 Ų118.853%0.52963%0.625SS.*THydrogen-bonded Turntrans-82.14.2179.6-57.7176.8000114.3H62 G113 N117H62-L115 HydrophobicContact CB-CD1 3.87Å; G113-L115 PolarHBondContact O-N 3.41Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.25Å; L115-N117 VanDerWaalsContact O-N 3.1Å
116S44.7Very low48.1Very low22 Ų22118.9 Ų118.915%0.15463%0.631CS.*  trans-86.856.9-175.1-1760000113.1T21 F22 G113 I114T21-S116 VanDerWaalsContact CA-OG 3.29Å; T21-S116 WeakPolarHBondContact CA-OG 3.4Å; T21-S116 WeakPolarHBondContact CG2-OG 3.3Å; F22-S116 PolarHBondContact N-OG 2.9Å; F22-S116 PolarHBondContact O-OG 3.34Å; G113-S116 WeakPolarHBondContact O-CB 3.44Å; G113-S116 PolarHBondContact O-N 3.06Å; I114-S116 VanDerWaalsContact C-N 3.26Å; I114-S116 PolarHBondContact O-N 3.15Å
117N45.7Very low46.1Very low81 Ų81117.8 Ų117.843%0.43362%0.623SS.*  trans-122.8115163.5-163.1-22000109.5L115 N119L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.25Å; L115-N117 VanDerWaalsContact O-N 3.1Å; N117-N119 PolarHBondContact O-N 3.48Å; N117-N119 PolarHBondContact OD1-N 2.9Å
118K47.3Very low43.9Very low164 Ų164115.6 Ų115.671%0.71361%0.612SS**  trans-83.515.5-177.6-78.1-165.9174.1-175.90113.8P120K118-P120 WeakPolarHBondContact O-CD 3.29Å
119N34.9Very low41.8Very low94 Ų94117.4 Ų117.450%0.50362%0.619SS.*  trans-117.188175.1-104.3-40.3000113N117 L121N117-N119 PolarHBondContact O-N 3.48Å; N117-N119 PolarHBondContact OD1-N 2.9Å; N119-L121 PolarHBondContact O-N 2.79Å; N119-L121 VanDerWaalsContact O-N 3.15Å
120P32.2Very low40Very low108 Ų108118.6 Ų118.670%0.70162%0.619SS**  trans-7416.5164.930-32.2000113.6K118K118-P120 WeakPolarHBondContact O-CD 3.29Å
121L27.9Very low38.3Very low141 Ų141122 Ų12274%0.73863%0.632SS**  trans-119.858.9-171.6-73.8163.5000111.9N119N119-L121 PolarHBondContact O-N 2.79Å; N119-L121 VanDerWaalsContact O-N 3.15Å
122R27.7Very low36.8Very low238 Ų238123.7 Ų123.790%0.89864%0.644SS**  trans-170.728.4154.1-108.4175.6-163.9-154.96112.7T124R122-T124 VanDerWaalsContact C-N 3.3Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.07Å
123T27.9Very low35.6Very low118 Ų118124.6 Ų124.672%0.72466%0.656SS**  trans-72100.6155.1-29.60000104.6E125T123-E125 VanDerWaalsContact C-N 3.34Å; T123-E125 PolarHBondContact O-N 2.9Å
124T27.9Very low34.7Very low121 Ų121133.2 Ų133.274%0.74269%0.694SS**  trans-45.2112.2156.1-16.60000104.9R122 V126R122-T124 VanDerWaalsContact C-N 3.3Å; R122-T124 PolarHBondContact O-N 3.35Å; R122-T124 VanDerWaalsContact O-N 3.07Å; T124-V126 PolarHBondContact O-N 3.33Å
125E26.9Very low33.7Very low180 Ų180131.4 Ų131.484%0.84169%0.691SS**  trans-57.291.8169.1-70.5179.3149.400105.9T123 S127T123-E125 VanDerWaalsContact C-N 3.34Å; T123-E125 PolarHBondContact O-N 2.9Å; E125-S127 PolarHBondContact O-N 2.87Å
126V26.9Very low32.9Very low124 Ų124131 Ų13175%0.75270%0.702SS**  trans-73.574.9154.6-172.50000103.8T124 C128T124-V126 PolarHBondContact O-N 3.33Å; V126-C128 PolarHBondContact O-N 3.05Å
127S26Very low32.8Very low82 Ų82141.9 Ų141.957%0.57376%0.756SS**  trans-66.292.2166.6-170.90000105.9E125 E129E125-S127 PolarHBondContact O-N 2.87Å; S127-E129 PolarHBondContact O-N 3.2Å
128C26.5Very low32.2Very low96 Ų96144.9 Ų144.965%0.64977%0.772SS**  trans-73.274160.2-67.50000106.9V126 H130V126-C128 PolarHBondContact O-N 3.05Å; C128-H130 VanDerWaalsContact C-N 3.29Å; C128-H130 PolarHBondContact O-N 3.36Å
129E27.7Very low31.4Very low154 Ų154143.9 Ų143.972%0.7278%0.775SS**  trans-63.1100.9158.7-82.8-172.9151.200106.8S127 H131S127-E129 PolarHBondContact O-N 3.2Å; E129-H131 VanDerWaalsContact C-N 3.35Å; E129-H131 PolarHBondContact O-N 2.82Å
130H33Very low31.2Very low167 Ų167146.7 Ų146.777%0.77379%0.79SS**  trans-61.2101.6163.1-85.3-115.3000107.5C128 L132C128-H130 VanDerWaalsContact C-N 3.29Å; C128-H130 PolarHBondContact O-N 3.36Å; H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 3.47Å
131H30.9Very low31.2Very low177 Ų177148.9 Ų148.982%0.81980%0.796SS**  trans-57.397.5154.8-78.6-31000107.9E129 P133E129-H131 VanDerWaalsContact C-N 3.35Å; E129-H131 PolarHBondContact O-N 2.82Å; H131-P133 WeakPolarHBondContact O-CD 3.47Å
132L36.1Very low31.4Very low157 Ų157149.4 Ų149.482%0.82280%0.799SS**  trans-65.6120.9157.6-81.7159.7000106.4H130 E134H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 3.47Å; L132-E134 PolarHBondContact O-N 3.24Å; L132-E134 VanDerWaalsContact O-N 3.15Å
133P35Very low31.6Very low110 Ų110143.5 Ų143.571%0.71479%0.793SS**  trans-64.4117.6174.424.2-29.5000109H131 T135H131-P133 WeakPolarHBondContact O-CD 3.47Å; P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 3.13Å
134E34.3Very low31.9Very low190 Ų190145.4 Ų145.489%0.88880%0.798SS**SBendtrans-60.196.5157.1-81-176.3144.100107.4L132L132-E134 PolarHBondContact O-N 3.24Å; L132-E134 VanDerWaalsContact O-N 3.15Å
135T35.7Very low32.2Very low134 Ų134147.2 Ų147.282%0.82280%0.802SS**  trans168104.2148.327.40000110.1P133P133-T135 VanDerWaalsContact C-N 3.31Å; P133-T135 PolarHBondContact O-N 3.13Å
136A36.6Very low32.6Very low93 Ų93144.5 Ų144.577%0.76980%0.799SS**  trans-168.6109.3142.600000109.4
137I42.8Very low33.1Very low250 Ų250146.4 Ų146.4100%1.28280%0.803SS**  trans85.20173.9-40.3173.5000115.2

Retrieved 137 of 137 residues in 108.1 ms (Link to these results)