A0A077Z156_TRITR Loading...

Gastrulation specific protein G12

AlphaFold DB , UniProt , Accession A0A077Z156, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M40.9Very low46.7Very low235 Ų235169.5 Ų169.5100%1.15881%0.812SS**  088.20-71.3-74.8-163.700106.9
2D37.2Very low46.7Very low154 Ų154164.8 Ų164.882%0.82479%0.794SS**  trans-60.7127.2-164.4-59.8-95.3000114
3R46.5Very low47.1Very low247 Ų247164.1 Ų164.193%0.93279%0.794SS**  trans-113.185.1163.1-74.3-168.4-176.9-122.42.6109H5R3-H5 PolarHBondContact O-N 3.01Å
4L46Very low47.4Very low161 Ų161158.1 Ų158.184%0.84378%0.776SS**  trans-54.395.6156.7-85.8147.8000109
5H48.1Very low47.8Very low166 Ų166155.1 Ų155.177%0.76976%0.763SS**  trans-111.478.3162.7-157.5-132.9000108.9R3 D7R3-H5 PolarHBondContact O-N 3.01Å; H5-D7 PolarHBondContact O-N 3.17Å
6R49.1Very low47.9Very low229 Ų229152.4 Ų152.486%0.86477%0.765SS**  trans-6690.3170.5177.7-177.575.4-171.55.8108.5
7D47Very low47.8Very low118 Ų118154.9 Ų154.963%0.63177%0.773SS**  trans-152.715.7175.1-14117.2000118.1H5H5-D7 PolarHBondContact O-N 3.17Å
8H49.5Very low47.6Very low142 Ų142149.7 Ų149.766%0.65777%0.765SS**  trans-13915.3-177.9-83.370.8000115N10H8-N10 VanDerWaalsContact C-N 3.26Å; H8-N10 PolarHBondContact O-N 3.24Å
9S52Low47.6Very low93 Ų93151.2 Ų151.265%0.6577%0.768SS**THydrogen-bonded Turntrans-72.9-7.9-171.8-163.10000115.6
10N46.8Very low47.8Very low168 Ų168146.7 Ų146.790%0.89875%0.751SS**THydrogen-bonded Turntrans-101.11.1-175-67.2-9.2000113.9H8H8-N10 VanDerWaalsContact C-N 3.26Å; H8-N10 PolarHBondContact O-N 3.24Å
11Q50.3Low48.4Very low152 Ų152143.8 Ų143.871%0.7174%0.74SS**SBendtrans-96.95.1174.4-150.6173.372.800112.1
12L47.2Very low49.4Very low112 Ų112135.6 Ų135.659%0.58672%0.715SS**  trans-89.4-3.3-158.8-134103.1000116.3
13I52.1Low50.7Low156 Ų156139.6 Ų139.680%0.872%0.719SS**SBendtrans-105-13.8-169.8-58.3-179.7000114.4I15I13-I15 PolarHBondContact O-N 2.92Å
14C51.2Low52Low81 Ų81129.1 Ų129.155%0.54768%0.683SS.*THydrogen-bonded Turntrans-67.84.5176.6-66.20000115V26C14-V26 VanDerWaalsContact SG-CG1 3.59Å
15I52.5Low53.7Low113 Ų113126.1 Ų126.158%0.57967%0.667SS**THydrogen-bonded Turntrans-124.9-24-146-55.4179.5000114.4I13 Q17 G18I13-I15 PolarHBondContact O-N 2.92Å; I15-Q17 PolarHBondContact O-N 2.74Å; I15-G18 PolarHBondContact O-N 3.28Å
16S49.9Very low55.2Low112 Ų112121.5 Ų121.578%0.78365%0.65SS**THydrogen-bonded Turntrans-68.7-9-162.7-55.20000117
17Q46.4Very low56.7Low195 Ų195115.2 Ų115.291%0.91163%0.629SS**THydrogen-bonded Turntrans-134.111.8-179.9-70.9-172.2-1.200115.9I15I15-Q17 PolarHBondContact O-N 2.74Å
18G44.5Very low58.4Low60 Ų60112.1 Ų112.162%0.61962%0.62SS**SBendtrans76.5129.5170.800000114.3I15I15-G18 PolarHBondContact O-N 3.28Å
19E47.3Very low60.1Low179 Ų179107 Ų10784%0.83660%0.597SS**  trans70.571167.1-49.1-178-177.200116.3T21E19-T21 PolarHBondContact O-N 2.95Å
20C52.4Low61.7Low61 Ų61107.1 Ų107.141%0.41259%0.591SS.*  trans-64.292.6150.2-77.90000108.4
21T60.7Low63.6Low86 Ų86103.3 Ų103.353%0.52857%0.571SS.*  trans-53.6153.3170.762.80000109.2E19 R23 S24E19-T21 PolarHBondContact O-N 2.95Å; T21-R23 PolarHBondContact O-N 3.07Å; T21-S24 WeakPolarHBondContact O-CB 3.38Å; T21-S24 PolarHBondContact O-N 2.93Å
22G61.3Low65.3Low62 Ų6298.4 Ų98.464%0.63955%0.547SS*.THydrogen-bonded Turntrans-53.6-7.7-178.500000115.9
23R64.7Low67.2Low239 Ų23995.4 Ų95.490%0.90253%0.531SS*.THydrogen-bonded Turntrans-100.33.9179.2-52.4-178.4106.1123.81.2113.6T21T21-R23 PolarHBondContact O-N 3.07Å
24S73.9Confident69Low26 Ų2690.1 Ų90.118%0.18251%0.506CS..  trans-68.2136.2-179.9177.10000111.9T21 V26 K27 A28T21-S24 WeakPolarHBondContact O-CB 3.38Å; T21-S24 PolarHBondContact O-N 2.93Å; S24-V26 PolarHBondContact O-N 3.31Å; S24-V26 PolarHBondContact OG-N 3.35Å; S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.13Å; S24-A28 PolarHBondContact O-N 3.45Å
25I81.6Confident70.8Confident98 Ų9888.7 Ų88.750%0.50350%0.501SS..Hα-helixtrans-56.3-39.1176.8-173.262.8000111.9K27 A28 L29 L136I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.95Å; I25-A28 PolarHBondContact O-N 3.48Å; I25-L29 HydrophobicContact CD1-CG 4.41Å; I25-L29 HydrophobicContact CG1-CD1 4.12Å; I25-L29 HydrophobicContact CG1-CG 4.37Å; I25-L29 WeakPolarHBondContact O-CB 3.33Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.41Å; I25-L136 HydrophobicContact CG1-CD2 4.34Å
26V79.8Confident72.4Confident69 Ų6983.5 Ų83.542%0.41847%0.474SS..Hα-helixtrans-62.8-43179.6-177.90000110.4C14 S24 L29 D30C14-V26 VanDerWaalsContact SG-CG1 3.59Å; S24-V26 PolarHBondContact O-N 3.31Å; S24-V26 PolarHBondContact OG-N 3.35Å; V26-L29 PolarHBondContact O-N 3.46Å; V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å
27K79.9Confident74.2Confident97 Ų9781.8 Ų81.842%0.42245%0.454SS..Hα-helixtrans-70.1-36.3177-170.1172.4-177.3172.70112.1S24 I25 D30 N31S24-K27 PolarHBondContact O-N 3.48Å; S24-K27 VanDerWaalsContact O-N 3.13Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.95Å; K27-D30 PolarHBondContact O-N 3.09Å; K27-N31 VanDerWaalsContact O-CB 3.29Å; K27-N31 WeakPolarHBondContact O-CB 3.19Å; K27-N31 PolarHBondContact O-N 3.18Å; K27-N31 PolarHBondContact O-ND2 3.3Å
28A83.3Confident76.2Confident54 Ų5480 Ų8045%0.44644%0.439SS..Hα-helixtrans-64.5-42.117500000111.6S24 I25 F32S24-A28 PolarHBondContact O-N 3.45Å; I25-A28 PolarHBondContact O-N 3.48Å; A28-F32 WeakPolarHBondContact O-CB 3.42Å; A28-F32 PolarHBondContact O-N 3.09Å
29L84.6Confident78.3Confident33 Ų3379 Ų7917%0.17342%0.418CS..Hα-helixtrans-65.3-43.6174.8-70.5171.9000111.8I25 V26 F32 L33 L100 F129 L133I25-L29 HydrophobicContact CD1-CG 4.41Å; I25-L29 HydrophobicContact CG1-CD1 4.12Å; I25-L29 HydrophobicContact CG1-CG 4.37Å; I25-L29 WeakPolarHBondContact O-CB 3.33Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.35Å; I25-L29 PolarHBondContact O-N 3.41Å; V26-L29 PolarHBondContact O-N 3.46Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.42Å; L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.03Å; L29-L100 HydrophobicContact CD2-CD1 4.15Å; L29-L100 HydrophobicContact CD2-CD2 3.9Å; L29-F129 HydrophobicContact CD2-CZ 4.4Å; L29-L133 HydrophobicContact CD2-CD1 4.5Å
30D85.2Confident80.1Confident96 Ų9675.4 Ų75.451%0.51340%0.4SS..Hα-helixtrans-62.7-45.2176.4-175.363.2000112.1V26 K27 F32 L33 T34V26-D30 WeakPolarHBondContact O-CB 3.33Å; V26-D30 PolarHBondContact O-N 2.83Å; K27-D30 PolarHBondContact O-N 3.09Å; D30-F32 VanDerWaalsContact C-N 3.33Å; D30-F32 PolarHBondContact O-N 3.4Å; D30-L33 PolarHBondContact O-N 2.9Å; D30-T34 VanDerWaalsContact O-CB 3.3Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 3.41Å; D30-T34 PolarHBondContact O-OG1 2.89Å
31N86.4Confident81.7Confident88 Ų8878 Ų7847%0.47141%0.406SS..Hα-helixtrans-60.1-42.6173.7-76.3-22.4000111.8K27 A35K27-N31 VanDerWaalsContact O-CB 3.29Å; K27-N31 WeakPolarHBondContact O-CB 3.19Å; K27-N31 PolarHBondContact O-N 3.18Å; K27-N31 PolarHBondContact O-ND2 3.3Å; N31-A35 VanDerWaalsContact O-CB 3.32Å; N31-A35 WeakPolarHBondContact O-CB 3.19Å; N31-A35 PolarHBondContact O-N 3.28Å
32F87Confident83.1Confident50 Ų5079.3 Ų79.322%0.21941%0.414CS..Hα-helixtrans-61.2-54176.1168.4-98.8000111.2A28 L29 D30 T34 A35 V36 L93 I96 R97 L100A28-F32 WeakPolarHBondContact O-CB 3.42Å; A28-F32 PolarHBondContact O-N 3.09Å; L29-F32 WeakPolarHBondContact O-CB 3.49Å; L29-F32 PolarHBondContact O-N 3.42Å; D30-F32 VanDerWaalsContact C-N 3.33Å; D30-F32 PolarHBondContact O-N 3.4Å; F32-T34 VanDerWaalsContact C-N 3.28Å; F32-T34 PolarHBondContact O-N 3.47Å; F32-A35 PolarHBondContact O-N 2.9Å; F32-A35 VanDerWaalsContact O-N 3.07Å; F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.97Å; F32-V36 HydrophobicContact CE1-CG2 4.05Å; F32-V36 HydrophobicContact CE2-CG2 3.57Å; F32-V36 HydrophobicContact CG-CG2 4.39Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.35Å; F32-V36 PolarHBondContact O-N 3.46Å; F32-L93 HydrophobicContact CE2-CD2 3.72Å; F32-L93 HydrophobicContact CZ-CD2 4.3Å; F32-I96 HydrophobicContact CE1-CG2 3.8Å; F32-I96 HydrophobicContact CE2-CG2 4.47Å; F32-I96 HydrophobicContact CZ-CB 4.07Å; F32-I96 HydrophobicContact CZ-CG2 3.49Å; F32-I96 VanDerWaalsContact CZ-CG2 3.49Å; F32-R97 HydrophobicContact CE1-CB 4.48Å; F32-L100 HydrophobicContact CD1-CD2 4.03Å; F32-L100 HydrophobicContact CE1-CD2 4.23Å
33L86.5Confident84.3Confident49 Ų4977.8 Ų77.826%0.25739%0.392SS..Hα-helixtrans-57.3-43.6179.4-75.2175.4000111.5L29 D30 A35 V36 Q37 R97 L100 V101L29-L33 WeakPolarHBondContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.03Å; D30-L33 PolarHBondContact O-N 2.9Å; L33-A35 PolarHBondContact O-N 3.48Å; L33-V36 PolarHBondContact O-N 2.89Å; L33-Q37 VanDerWaalsContact O-CB 3.24Å; L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 PolarHBondContact O-N 3.44Å; L33-R97 HydrophobicContact CD2-CB 4.44Å; L33-R97 HydrophobicContact CD2-CG 3.5Å; L33-R97 VanDerWaalsContact CD2-CG 3.5Å; L33-L100 HydrophobicContact CD1-CD2 3.91Å; L33-L100 HydrophobicContact CD1-CG 4.42Å; L33-L100 HydrophobicContact CD2-CD2 3.61Å; L33-L100 HydrophobicContact CD2-CG 4.25Å; L33-L100 HydrophobicContact CG-CD2 3.67Å; L33-V101 HydrophobicContact CD2-CG2 3.95Å
34T89Confident85.2Confident44 Ų4473.7 Ų73.727%0.2739%0.385SS..Hα-helixtrans-61.5-43.8175.8-59.60000111.6D30 F32 Q37 R38D30-T34 VanDerWaalsContact O-CB 3.3Å; D30-T34 WeakPolarHBondContact O-CB 3.36Å; D30-T34 PolarHBondContact O-N 3.41Å; D30-T34 PolarHBondContact O-OG1 2.89Å; F32-T34 VanDerWaalsContact C-N 3.28Å; F32-T34 PolarHBondContact O-N 3.47Å; T34-Q37 PolarHBondContact O-N 3.23Å; T34-R38 VanDerWaalsContact CG2-CZ 3.45Å; T34-R38 WeakPolarHBondContact O-CG 3.03Å; T34-R38 PolarHBondContact O-N 2.89Å
35A89.7Confident85.6Confident52 Ų5277.9 Ų77.943%0.4340%0.403SS..Hα-helixtrans-65.2-45178.100000112N31 F32 L33 Q37 R38 M39N31-A35 VanDerWaalsContact O-CB 3.32Å; N31-A35 WeakPolarHBondContact O-CB 3.19Å; N31-A35 PolarHBondContact O-N 3.28Å; F32-A35 PolarHBondContact O-N 2.9Å; F32-A35 VanDerWaalsContact O-N 3.07Å; L33-A35 PolarHBondContact O-N 3.48Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.82Å; A35-R38 PolarHBondContact O-N 3.38Å; A35-M39 WeakPolarHBondContact O-CB 3.39Å; A35-M39 PolarHBondContact O-N 3.42Å
36V87.4Confident85.5Confident4 Ų475 Ų752%0.02439%0.391CS..Hα-helixtrans-68.2-32.2178-173.80000110.8F32 L33 M39 K40 L93 R97F32-V36 HydrophobicContact CD1-CG2 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.97Å; F32-V36 HydrophobicContact CE1-CG2 4.05Å; F32-V36 HydrophobicContact CE2-CG2 3.57Å; F32-V36 HydrophobicContact CG-CG2 4.39Å; F32-V36 HydrophobicContact CZ-CG2 3.6Å; F32-V36 WeakPolarHBondContact O-CG2 3.35Å; F32-V36 PolarHBondContact O-N 3.46Å; L33-V36 PolarHBondContact O-N 2.89Å; V36-M39 HydrophobicContact CG1-CE 3.68Å; V36-M39 WeakPolarHBondContact O-CB 3.4Å; V36-K40 PolarHBondContact O-N 3.4Å; V36-K40 VanDerWaalsContact O-N 3.08Å; V36-L93 HydrophobicContact CG1-CB 4.18Å; V36-L93 HydrophobicContact CG2-CB 4.22Å; V36-L93 HydrophobicContact CG2-CD2 4.34Å; V36-R97 HydrophobicContact CG1-CB 3.92Å; V36-R97 HydrophobicContact CG1-CG 4.25Å; V36-R97 PolarHBondContact O-NH2 3.35Å
37Q86.8Confident85.3Confident76 Ų7674.7 Ų74.736%0.35539%0.392SS..Hα-helixtrans-67.6-48.4173.7-178.455.933.800111.5L33 T34 A35 M39 K40 E41L33-Q37 VanDerWaalsContact O-CB 3.24Å; L33-Q37 WeakPolarHBondContact O-CB 3.34Å; L33-Q37 PolarHBondContact O-N 3.44Å; T34-Q37 PolarHBondContact O-N 3.23Å; A35-Q37 VanDerWaalsContact C-N 3.3Å; A35-Q37 PolarHBondContact O-N 2.82Å; Q37-M39 VanDerWaalsContact C-N 3.27Å; Q37-M39 PolarHBondContact O-N 3.33Å; Q37-K40 WeakPolarHBondContact O-CB 3.32Å; Q37-K40 PolarHBondContact O-N 2.87Å; Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 PolarHBondContact O-N 2.87Å
38R88.9Confident85.3Confident158 Ų15878 Ų7860%0.59640%0.402SS*.Hα-helixtrans-56.5-41.4172.5-74.5179.2-176.2134.13.2112.1T34 A35 K40 E41 T42T34-R38 VanDerWaalsContact CG2-CZ 3.45Å; T34-R38 WeakPolarHBondContact O-CG 3.03Å; T34-R38 PolarHBondContact O-N 2.89Å; A35-R38 PolarHBondContact O-N 3.38Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 3.27Å; R38-E41 PolarHBondContact O-N 3.48Å; R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.99Å; R38-T42 PolarHBondContact O-OG1 2.94Å
39M87.8Confident85.2Confident39 Ų3976.7 Ų76.719%0.19239%0.387CS..Hα-helixtrans-58.1-43.3174.1178.5-168.272.300111.4A35 V36 Q37 T42 V43 Y90 L93 Q94A35-M39 WeakPolarHBondContact O-CB 3.39Å; A35-M39 PolarHBondContact O-N 3.42Å; V36-M39 HydrophobicContact CG1-CE 3.68Å; V36-M39 WeakPolarHBondContact O-CB 3.4Å; Q37-M39 VanDerWaalsContact C-N 3.27Å; Q37-M39 PolarHBondContact O-N 3.33Å; M39-T42 PolarHBondContact O-N 3.28Å; M39-V43 HydrophobicContact CG-CG2 4.17Å; M39-V43 WeakPolarHBondContact O-CB 3.28Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.31Å; M39-V43 PolarHBondContact O-N 3.1Å; M39-Y90 HydrophobicContact CE-CD2 3.55Å; M39-Y90 HydrophobicContact CE-CE2 3.78Å; M39-Y90 HydrophobicContact CE-CG 4.36Å; M39-Y90 HydrophobicContact CG-CD2 4.12Å; M39-Y90 HydrophobicContact CG-CE2 4.32Å; M39-Y90 HydrophobicContact SD-CD2 3.76Å; M39-Y90 HydrophobicContact SD-CE2 4.36Å; M39-L93 HydrophobicContact CE-CB 3.99Å; M39-L93 HydrophobicContact CE-CD1 4.14Å; M39-L93 HydrophobicContact SD-CD1 3.61Å; M39-Q94 HydrophobicContact CE-CG 4.22Å
40K84.4Confident84.5Confident102 Ų10280.9 Ų80.944%0.44340%0.401SS..Hα-helixtrans-69-34.5178.7174.2-179.1168.4-176.40113V36 Q37 R38 T42V36-K40 PolarHBondContact O-N 3.4Å; V36-K40 VanDerWaalsContact O-N 3.08Å; Q37-K40 WeakPolarHBondContact O-CB 3.32Å; Q37-K40 PolarHBondContact O-N 2.87Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 3.27Å; K40-T42 VanDerWaalsContact C-N 3.33Å
41E87.1Confident83.7Confident117 Ų11782.4 Ų82.455%0.54741%0.409SS..Hα-helixtrans-70.1-32.5174-71.3165.8-168.100112Q37 R38Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 PolarHBondContact O-N 2.87Å; R38-E41 PolarHBondContact O-N 3.48Å
42T90.1Very high82.9Confident113 Ų11382.5 Ų82.569%0.69341%0.409SS*.Hα-helixtrans-81.1-42.4179.7-52.10000111.8R38 M39 K40 M44R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.99Å; R38-T42 PolarHBondContact O-OG1 2.94Å; M39-T42 PolarHBondContact O-N 3.28Å; K40-T42 VanDerWaalsContact C-N 3.33Å; T42-M44 VanDerWaalsContact C-N 3.35Å; T42-M44 PolarHBondContact O-N 2.85Å
43V86.8Confident81.3Confident30 Ų3083.1 Ų83.118%0.18242%0.419CS..  trans-84.380179.8-177.20000109.3M39 M45 P46 L49 Y90M39-V43 HydrophobicContact CG-CG2 4.17Å; M39-V43 WeakPolarHBondContact O-CB 3.28Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.31Å; M39-V43 PolarHBondContact O-N 3.1Å; V43-M45 VanDerWaalsContact C-N 3.27Å; V43-M45 PolarHBondContact O-N 3.38Å; V43-P46 HydrophobicContact CG1-CB 4.25Å; V43-P46 HydrophobicContact CG1-CG 4.12Å; V43-L49 HydrophobicContact CG1-CD1 3.8Å; V43-L49 HydrophobicContact CG1-CG 4.18Å; V43-L49 HydrophobicContact CG2-CD1 4.34Å; V43-Y90 HydrophobicContact CB-CD2 4.37Å; V43-Y90 HydrophobicContact CB-CE2 3.84Å; V43-Y90 HydrophobicContact CG1-CD2 4.21Å; V43-Y90 HydrophobicContact CG1-CE2 3.82Å; V43-Y90 HydrophobicContact CG2-CD2 4.33Å; V43-Y90 HydrophobicContact CG2-CE2 4.23Å
44M82.6Confident79.9Confident153 Ų15382.7 Ų82.775%0.75442%0.422SS*.SBendtrans-67.3-27.5178.8-64.4-67.2-78.700113T42T42-M44 VanDerWaalsContact C-N 3.35Å; T42-M44 PolarHBondContact O-N 2.85Å
45M83.1Confident78Confident114 Ų11486 Ų8656%0.56244%0.439SS*.  trans-134.789.6-179.3-67.6-64.2-69.300110V43 S47 R48V43-M45 VanDerWaalsContact C-N 3.27Å; V43-M45 PolarHBondContact O-N 3.38Å; M45-S47 PolarHBondContact O-N 3.39Å; M45-R48 HydrophobicContact CB-CG 3.8Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.93Å; M45-R48 VanDerWaalsContact O-N 3.11Å
46P79.6Confident76.2Confident38 Ų3890.6 Ų90.625%0.24746%0.461CS..THydrogen-bonded Turntrans-58.4-31.9-176-27.836.4000114.4V43 R48 L49 Y87 Y90V43-P46 HydrophobicContact CG1-CB 4.25Å; V43-P46 HydrophobicContact CG1-CG 4.12Å; P46-R48 PolarHBondContact O-N 2.72Å; P46-L49 VanDerWaalsContact O-CB 3.24Å; P46-L49 WeakPolarHBondContact O-CB 3.46Å; P46-L49 PolarHBondContact O-N 3.17Å; P46-Y87 HydrophobicContact CB-CD2 4.37Å; P46-Y87 HydrophobicContact CB-CE2 4Å; P46-Y87 VanDerWaalsContact O-CD2 3.3Å; P46-Y87 WeakPolarHBondContact O-CD2 3.32Å; P46-Y90 HydrophobicContact CB-CD1 4.13Å; P46-Y90 HydrophobicContact CB-CE1 3.66Å; P46-Y90 HydrophobicContact CG-CE1 3.76Å; P46-Y90 WeakPolarHBondContact CG-OH 3.32Å
47S75.8Confident74.4Confident62 Ų6292.7 Ų92.743%0.43448%0.484SS..THydrogen-bonded Turntrans-59.6-29.5178.352.60000113.2M45 L49 R50M45-S47 PolarHBondContact O-N 3.39Å; S47-L49 PolarHBondContact O-N 3.3Å; S47-R50 WeakPolarHBondContact O-CB 3.39Å; S47-R50 PolarHBondContact O-N 2.94Å
48R79.7Confident72.5Confident166 Ų16697.2 Ų97.263%0.62651%0.51SS*.Hα-helixtrans-59.8-28175.3-65.6-72.5-170.7171.61.1112M45 P46 R50 D51 L52M45-R48 HydrophobicContact CB-CG 3.8Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.93Å; M45-R48 VanDerWaalsContact O-N 3.11Å; P46-R48 PolarHBondContact O-N 2.72Å; R48-R50 PolarHBondContact O-N 2.89Å; R48-D51 PolarHBondContact O-N 2.86Å; R48-D51 VanDerWaalsContact O-N 3.17Å; R48-L52 WeakPolarHBondContact O-CD1 3.41Å; R48-L52 PolarHBondContact O-N 3.31Å
49L80.1Confident70.6Confident27 Ų2796.8 Ų96.814%0.14152%0.519CS..Hα-helixtrans-67.6-19177.8-63.3177.1000113.3V43 P46 S47 D51 L86 Y90V43-L49 HydrophobicContact CG1-CD1 3.8Å; V43-L49 HydrophobicContact CG1-CG 4.18Å; V43-L49 HydrophobicContact CG2-CD1 4.34Å; P46-L49 VanDerWaalsContact O-CB 3.24Å; P46-L49 WeakPolarHBondContact O-CB 3.46Å; P46-L49 PolarHBondContact O-N 3.17Å; S47-L49 PolarHBondContact O-N 3.3Å; L49-D51 VanDerWaalsContact C-N 3.31Å; L49-L86 HydrophobicContact CB-CB 4.05Å; L49-L86 HydrophobicContact CD2-CB 4.08Å; L49-L86 HydrophobicContact CD2-CD1 4.25Å; L49-L86 HydrophobicContact CG-CB 4.5Å; L49-Y90 HydrophobicContact CD1-CD2 3.93Å; L49-Y90 HydrophobicContact CD1-CG 3.86Å
50R70.9Confident69Low121 Ų121102.9 Ų102.946%0.45756%0.559SS.*Hα-helixtrans-69.9-33.1173.5-61.5-174.9-166.9-168.11111.4S47 R48 Y87S47-R50 WeakPolarHBondContact O-CB 3.39Å; S47-R50 PolarHBondContact O-N 2.94Å; R48-R50 PolarHBondContact O-N 2.89Å; R50-Y87 HydrophobicContact CG-CD1 3.82Å; R50-Y87 HydrophobicContact CG-CD2 4.14Å; R50-Y87 HydrophobicContact CG-CE1 4.46Å; R50-Y87 HydrophobicContact CG-CG 3.61Å; R50-Y87 PolarHBondContact NH2-OH 3.39Å
51D69.1Low66.9Low128 Ų128100 Ų10068%0.68456%0.558SS**Hα-helixtrans-85.3-12.8179.9-55.6-40.7000112.5R48 L49 S53R48-D51 PolarHBondContact O-N 2.86Å; R48-D51 VanDerWaalsContact O-N 3.17Å; L49-D51 VanDerWaalsContact C-N 3.31Å; D51-S53 PolarHBondContact O-N 2.98Å
52L68Low64.8Low90 Ų90100.5 Ų100.547%0.47157%0.574SS.*  trans-8896.9173.6-87.580.1000109.6R48 L86R48-L52 WeakPolarHBondContact O-CD1 3.41Å; R48-L52 PolarHBondContact O-N 3.31Å; L52-L86 HydrophobicContact CB-CD1 3.91Å; L52-L86 HydrophobicContact CD2-CD1 4.17Å
53S54.6Low62.4Low63 Ų6399.5 Ų99.544%0.44158%0.577SS.*BIsolated β-bridgetrans-73.2128.1157.960.40000108.5D51 N55D51-S53 PolarHBondContact O-N 2.98Å; S53-N55 PolarHBondContact O-N 2.9Å; S53-N55 PolarHBondContact OG-OD1 2.85Å; S53-N55 VanDerWaalsContact OG-OD1 3.13Å
54A56.1Low60.2Low39 Ų39107.2 Ų107.232%0.32261%0.614SS.*  trans-68.285.9166.500000108.6V56A54-V56 PolarHBondContact O-N 3.45Å
55N48.9Very low58.3Low115 Ų115104.8 Ų104.862%0.61561%0.612SS**  trans-69.487.5164.7-88.237000107.5S53 G57S53-N55 PolarHBondContact O-N 2.9Å; S53-N55 PolarHBondContact OG-OD1 2.85Å; S53-N55 VanDerWaalsContact OG-OD1 3.13Å; N55-G57 PolarHBondContact O-N 2.92Å
56V53.8Low56.5Low148 Ų148107.3 Ų107.390%0.89763%0.626SS**  trans-74.480.5163.9-178.70000106.4A54A54-V56 PolarHBondContact O-N 3.45Å
57G48.8Very low54.7Low48 Ų48112.8 Ų112.850%0.49565%0.653SS.*  trans175.5120.6179.700000110.2N55N55-G57 PolarHBondContact O-N 2.92Å
58D47.1Very low53.3Low170 Ų170117.2 Ų117.291%0.90967%0.667SS**SBendtrans83.765.9171.6-55.2-23.7000118.4
59D49Very low51.7Low149 Ų149114.7 Ų114.780%0.79767%0.672SS**  -162.974.6129.9-149.16.8000112G61D59-G61 PolarHBondContact O-N 3.39Å
60V53.1Low50Low168 Ų168118.1 Ų118.1100%1.01870%0.695SS**  trans-8172.2162.6-177.80000106.8
61G41Very low48.9Very low41 Ų41118.3 Ų118.342%0.42371%0.711SS.*  trans-147.692.1-17400000111D59D59-G61 PolarHBondContact O-N 3.39Å
62S42.5Very low47.7Very low127 Ų127117.4 Ų117.489%0.88871%0.71SS**SBendtrans76.386.1155.3-155.30000118
63A40Very low46.5Very low92 Ų92121.4 Ų121.476%0.7673%0.728SS**  171.899.6121.200000110.2S65A63-S65 PolarHBondContact O-N 2.85Å
64M39.7Very low46.1Very low193 Ų193122 Ų12295%0.95174%0.737SS**  trans-63.7111.3159.4-78.2179.4152.900108.9
65S44.2Very low45.6Very low102 Ų102124.4 Ų124.471%0.71375%0.747SS**  trans-135.4107.6154.6-75.20000108.6A63A63-S65 PolarHBondContact O-N 2.85Å
66I45.7Very low45.3Very low167 Ų167130.3 Ų130.386%0.85676%0.761SS**  trans-56.9122.8173.8-61.3160.9000108.2
67D41.1Very low44.9Very low153 Ų153127.3 Ų127.382%0.81874%0.738SS**  trans167.416133.4-145.520.5000116.1
68H46.5Very low44.5Very low154 Ų154131.5 Ų131.571%0.71376%0.755SS**SBendtrans-119.2128.9175.552.252.8000112.5
69P45.8Very low44.2Very low114 Ų114127.1 Ų127.174%0.7475%0.75SS**  trans-60.2130.7178.325.9-32.3000108.2T71P69-T71 PolarHBondContact O-N 2.89Å
70P45.2Very low43.8Very low98 Ų98123.3 Ų123.364%0.63674%0.738SS**  trans-67131.7-174.931.2-34.6000107.2T72P70-T72 WeakPolarHBondContact CB-OG1 3.3Å; P70-T72 WeakPolarHBondContact CG-OG1 3.31Å; P70-T72 PolarHBondContact O-N 3.3Å; P70-T72 PolarHBondContact O-OG1 3.37Å
71T47.8Very low43.5Very low126 Ų126118.2 Ų118.277%0.77372%0.72SS**  trans-62.658.2162-48.50000108.5P69 M73 A74P69-T71 PolarHBondContact O-N 2.89Å; T71-M73 PolarHBondContact O-N 2.89Å; T71-A74 PolarHBondContact O-N 2.77Å; T71-A74 VanDerWaalsContact O-N 3.13Å
72T43.8Very low43.9Very low108 Ų108122.3 Ų122.366%0.66374%0.739SS**THydrogen-bonded Turntrans-79.538.2175.4-48.30000109.8P70P70-T72 WeakPolarHBondContact CB-OG1 3.3Å; P70-T72 WeakPolarHBondContact CG-OG1 3.31Å; P70-T72 PolarHBondContact O-N 3.3Å; P70-T72 PolarHBondContact O-OG1 3.37Å
73M42.2Very low44.4Very low174 Ų174117.8 Ų117.886%0.85771%0.713SS**THydrogen-bonded Turntrans-136.724.7163.6-68.3-65.9-172.400109T71 V75T71-M73 PolarHBondContact O-N 2.89Å; M73-V75 PolarHBondContact O-N 3.42Å
74A45.3Very low45.3Very low77 Ų77117.6 Ų117.664%0.63669%0.693SS**SBendtrans-59.782.8149.500000106.5T71 R76T71-A74 PolarHBondContact O-N 2.77Å; T71-A74 VanDerWaalsContact O-N 3.13Å; A74-R76 PolarHBondContact O-N 2.92Å
75V46.6Very low46.5Very low88 Ų88110.1 Ų110.153%0.53366%0.659SS.*  trans49.875.9133-179.60000109.8M73 M77M73-V75 PolarHBondContact O-N 3.42Å; V75-M77 HydrophobicContact CB-CG 4.37Å; V75-M77 HydrophobicContact CG1-CB 3.59Å; V75-M77 HydrophobicContact CG1-CG 3.08Å; V75-M77 PolarHBondContact O-N 2.71Å
76R42.9Very low48.1Very low239 Ų239108.4 Ų108.490%0.90264%0.642SS**  trans-65.564.2151.6-76.1-174.2173.5149.4-1.7107.7A74 T78A74-R76 PolarHBondContact O-N 2.92Å; R76-T78 PolarHBondContact O-N 2.9Å
77M45.1Very low49.7Very low86 Ų86102.2 Ų102.242%0.42461%0.608SS.*  trans-84.275.5159.1-68-72.9-179.900105.2V75 G79 Y84 T121V75-M77 HydrophobicContact CB-CG 4.37Å; V75-M77 HydrophobicContact CG1-CB 3.59Å; V75-M77 HydrophobicContact CG1-CG 3.08Å; V75-M77 PolarHBondContact O-N 2.71Å; M77-G79 VanDerWaalsContact C-N 3.31Å; M77-G79 PolarHBondContact O-N 2.87Å; M77-Y84 HydrophobicContact CB-CE1 4.47Å; M77-Y84 WeakPolarHBondContact CB-OH 3.24Å; M77-Y84 PolarHBondContact O-OH 3.46Å; M77-T121 HydrophobicContact CE-CG2 4.14Å; M77-T121 VanDerWaalsContact CE-OG1 3.27Å; M77-T121 WeakPolarHBondContact CE-OG1 3.28Å; M77-T121 HydrophobicContact SD-CG2 4.03Å
78T39.9Very low51.5Low136 Ų13696.2 Ų96.283%0.83458%0.575SS**THydrogen-bonded Turntrans-66.193.6165.345.20000107R76R76-T78 PolarHBondContact O-N 2.9Å
79G40.4Very low53Low78 Ų7893.8 Ų93.880%0.80456%0.563SS**THydrogen-bonded Turntrans178.3-23.5174.200000120.4M77M77-G79 VanDerWaalsContact C-N 3.31Å; M77-G79 PolarHBondContact O-N 2.87Å
80A40.8Very low54.8Low68 Ų6889.6 Ų89.656%0.56253%0.533SS*.  trans-153.8116-170.800000114.3Y84A80-Y84 PolarHBondContact O-OH 3.42Å
81G47.6Very low56.5Low62 Ų6288.4 Ų88.464%0.63952%0.518SS*.  trans55.3152.2141.700000121.6G83G81-G83 PolarHBondContact O-N 3.5Å; G81-G83 VanDerWaalsContact O-N 3.1Å
82P48.4Very low58.1Low127 Ų12782.6 Ų82.683%0.82548%0.483SS*.SBendtrans-79.195.8175.733.2-29.1000109.4
83G54Low60.2Low32 Ų3278.7 Ų78.733%0.3346%0.458SS..  trans139.378.7169.200000113.3G81 P85G81-G83 PolarHBondContact O-N 3.5Å; G81-G83 VanDerWaalsContact O-N 3.1Å; G83-P85 WeakPolarHBondContact O-CD 3.21Å
84Y58.2Low62Low87 Ų8771.6 Ų71.634%0.34142%0.423SS..  trans-75.8121162.6-70.2-84.1000108.4M77 A80 L86M77-Y84 HydrophobicContact CB-CE1 4.47Å; M77-Y84 WeakPolarHBondContact CB-OH 3.24Å; M77-Y84 PolarHBondContact O-OH 3.46Å; A80-Y84 PolarHBondContact O-OH 3.42Å; Y84-L86 PolarHBondContact O-N 3.04Å
85P66Low63.6Low37 Ų3772.3 Ų72.324%0.2441%0.414CS..BIsolated β-bridgetrans-68.9110176.225.9-31.1000108.9G83 Y87 N88 D118G83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-Y87 PolarHBondContact O-N 2.91Å; P85-N88 WeakPolarHBondContact CG-ND2 3.32Å; P85-N88 PolarHBondContact O-N 3.32Å; P85-D118 WeakPolarHBondContact CG-OD2 3.44Å
86L77.1Confident65.2Low66 Ų6668.6 Ų68.635%0.34639%0.391SS..Hα-helixtrans-54.2-23.1176.1-66.3176.2000112.2L49 L52 Y84 F89 Y90L49-L86 HydrophobicContact CB-CB 4.05Å; L49-L86 HydrophobicContact CD2-CB 4.08Å; L49-L86 HydrophobicContact CD2-CD1 4.25Å; L49-L86 HydrophobicContact CG-CB 4.5Å; L52-L86 HydrophobicContact CB-CD1 3.91Å; L52-L86 HydrophobicContact CD2-CD1 4.17Å; Y84-L86 PolarHBondContact O-N 3.04Å; L86-F89 PolarHBondContact O-N 2.72Å; L86-Y90 WeakPolarHBondContact O-CB 3.37Å; L86-Y90 PolarHBondContact O-N 2.94Å
87Y79.4Confident67Low37 Ų3758 Ų5815%0.14535%0.351CS..Hα-helixtrans-59.4-41.1175.2-172.9-110.6000113.5P46 R50 P85 F89 Y90 Q91P46-Y87 HydrophobicContact CB-CD2 4.37Å; P46-Y87 HydrophobicContact CB-CE2 4Å; P46-Y87 VanDerWaalsContact O-CD2 3.3Å; P46-Y87 WeakPolarHBondContact O-CD2 3.32Å; R50-Y87 HydrophobicContact CG-CD1 3.82Å; R50-Y87 HydrophobicContact CG-CD2 4.14Å; R50-Y87 HydrophobicContact CG-CE1 4.46Å; R50-Y87 HydrophobicContact CG-CG 3.61Å; R50-Y87 PolarHBondContact NH2-OH 3.39Å; P85-Y87 PolarHBondContact O-N 2.91Å; Y87-F89 VanDerWaalsContact C-N 3.34Å; Y87-F89 PolarHBondContact O-N 3.3Å; Y87-Y90 WeakPolarHBondContact O-CB 3.36Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y87-Q91 HydrophobicContact CD1-CG 4.34Å; Y87-Q91 HydrophobicContact CE1-CG 3.98Å; Y87-Q91 HydrophobicContact CE2-CG 4.33Å; Y87-Q91 WeakPolarHBondContact O-CG 3.39Å; Y87-Q91 PolarHBondContact O-N 3.38Å
88N78Confident68.5Low26 Ų2658.1 Ų58.114%0.13935%0.353CS..Hα-helixtrans-66.5-40.8-179.4-65.9-0.5000110.6P85 Q91 M92 D118P85-N88 WeakPolarHBondContact CG-ND2 3.32Å; P85-N88 PolarHBondContact O-N 3.32Å; N88-Q91 PolarHBondContact O-N 2.9Å; N88-M92 WeakPolarHBondContact O-CB 3.25Å; N88-M92 PolarHBondContact O-N 3.24Å; N88-D118 PolarHBondContact ND2-OD2 3.36Å
89F78.9Confident70.2Confident103 Ų10353.5 Ų53.545%0.45232%0.322SS..Hα-helixtrans-65-41.8174.7-171-104.5000111.8L86 Y87 Q91 M92 L93L86-F89 PolarHBondContact O-N 2.72Å; Y87-F89 VanDerWaalsContact C-N 3.34Å; Y87-F89 PolarHBondContact O-N 3.3Å; F89-Q91 PolarHBondContact O-N 2.96Å; F89-M92 HydrophobicContact CD2-CE 3.52Å; F89-M92 HydrophobicContact CE2-CE 3.96Å; F89-M92 HydrophobicContact CG-CE 4.48Å; F89-M92 WeakPolarHBondContact O-CB 3.43Å; F89-M92 PolarHBondContact O-N 2.88Å; F89-L93 HydrophobicContact CD1-CD1 3.73Å; F89-L93 HydrophobicContact CD1-CG 4.23Å; F89-L93 HydrophobicContact CE1-CD1 3.28Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.91Å; F89-L93 HydrophobicContact CZ-CD1 3.86Å; F89-L93 HydrophobicContact CZ-CD2 4.15Å; F89-L93 HydrophobicContact CZ-CG 4.08Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.42Å
90Y83.3Confident71.8Confident26 Ų2651.3 Ų51.310%0.10229%0.292CS..Hα-helixtrans-58.3-47.7173.6175.3-88.9000111.4M39 V43 P46 L49 L86 Y87 M92 L93 Q94M39-Y90 HydrophobicContact CE-CD2 3.55Å; M39-Y90 HydrophobicContact CE-CE2 3.78Å; M39-Y90 HydrophobicContact CE-CG 4.36Å; M39-Y90 HydrophobicContact CG-CD2 4.12Å; M39-Y90 HydrophobicContact CG-CE2 4.32Å; M39-Y90 HydrophobicContact SD-CD2 3.76Å; M39-Y90 HydrophobicContact SD-CE2 4.36Å; V43-Y90 HydrophobicContact CB-CD2 4.37Å; V43-Y90 HydrophobicContact CB-CE2 3.84Å; V43-Y90 HydrophobicContact CG1-CD2 4.21Å; V43-Y90 HydrophobicContact CG1-CE2 3.82Å; V43-Y90 HydrophobicContact CG2-CD2 4.33Å; V43-Y90 HydrophobicContact CG2-CE2 4.23Å; P46-Y90 HydrophobicContact CB-CD1 4.13Å; P46-Y90 HydrophobicContact CB-CE1 3.66Å; P46-Y90 HydrophobicContact CG-CE1 3.76Å; P46-Y90 WeakPolarHBondContact CG-OH 3.32Å; L49-Y90 HydrophobicContact CD1-CD2 3.93Å; L49-Y90 HydrophobicContact CD1-CG 3.86Å; L86-Y90 WeakPolarHBondContact O-CB 3.37Å; L86-Y90 PolarHBondContact O-N 2.94Å; Y87-Y90 WeakPolarHBondContact O-CB 3.36Å; Y87-Y90 PolarHBondContact O-N 3.48Å; Y90-M92 PolarHBondContact O-N 2.66Å; Y90-L93 PolarHBondContact O-N 2.94Å; Y90-Q94 HydrophobicContact CD1-CG 4.06Å; Y90-Q94 HydrophobicContact CE1-CG 3.77Å; Y90-Q94 HydrophobicContact CE2-CG 4.38Å; Y90-Q94 HydrophobicContact CG-CG 4.48Å; Y90-Q94 WeakPolarHBondContact O-CB 3.16Å; Y90-Q94 WeakPolarHBondContact O-CG 3.28Å; Y90-Q94 PolarHBondContact O-N 3.49Å; Y90-Q94 PolarHBondContact OH-NE2 2.92Å
91Q80.3Confident73.4Confident73 Ų7352.9 Ų52.934%0.34129%0.294SS..Hα-helixtrans-61-43.8176.9-74.3179.9-63.300111.6Y87 N88 F89 L93 Q94 M95Y87-Q91 HydrophobicContact CD1-CG 4.34Å; Y87-Q91 HydrophobicContact CE1-CG 3.98Å; Y87-Q91 HydrophobicContact CE2-CG 4.33Å; Y87-Q91 WeakPolarHBondContact O-CG 3.39Å; Y87-Q91 PolarHBondContact O-N 3.38Å; N88-Q91 PolarHBondContact O-N 2.9Å; F89-Q91 PolarHBondContact O-N 2.96Å; Q91-L93 PolarHBondContact O-N 2.95Å; Q91-Q94 WeakPolarHBondContact O-CB 3.36Å; Q91-Q94 PolarHBondContact O-N 3.19Å; Q91-M95 WeakPolarHBondContact O-CG 3.39Å; Q91-M95 PolarHBondContact O-N 3.45Å
92M82.7Confident74.3Confident4 Ų453.9 Ų53.92%0.0229%0.291CS..Hα-helixtrans-56.2-52.9176.7-165.8-164.4-14.500112.4N88 F89 Y90 Q94 M95 I96 V122 L125 S126N88-M92 WeakPolarHBondContact O-CB 3.25Å; N88-M92 PolarHBondContact O-N 3.24Å; F89-M92 HydrophobicContact CD2-CE 3.52Å; F89-M92 HydrophobicContact CE2-CE 3.96Å; F89-M92 HydrophobicContact CG-CE 4.48Å; F89-M92 WeakPolarHBondContact O-CB 3.43Å; F89-M92 PolarHBondContact O-N 2.88Å; Y90-M92 PolarHBondContact O-N 2.66Å; M92-Q94 PolarHBondContact O-N 3.06Å; M92-M95 PolarHBondContact O-N 3.37Å; M92-I96 HydrophobicContact CG-CD1 3.98Å; M92-I96 WeakPolarHBondContact O-CG1 3.24Å; M92-I96 PolarHBondContact O-N 3.02Å; M92-I96 HydrophobicContact SD-CD1 4.27Å; M92-V122 HydrophobicContact CB-CG1 3.65Å; M92-V122 HydrophobicContact CE-CB 3.8Å; M92-V122 HydrophobicContact CE-CG1 3.48Å; M92-V122 VanDerWaalsContact CE-CG1 3.48Å; M92-V122 HydrophobicContact CE-CG2 3.5Å; M92-V122 VanDerWaalsContact CE-CG2 3.5Å; M92-V122 HydrophobicContact CG-CG1 3.64Å; M92-V122 HydrophobicContact SD-CB 4.37Å; M92-V122 HydrophobicContact SD-CG1 3.85Å; M92-L125 HydrophobicContact SD-CB 4.25Å; M92-L125 HydrophobicContact SD-CD2 4.02Å; M92-L125 HydrophobicContact SD-CG 4.3Å; M92-S126 WeakPolarHBondContact CG-OG 3.27Å
93L86.1Confident74.9Confident27 Ų2749.1 Ų49.114%0.14127%0.265CS..Hα-helixtrans-61.4-36.2180-71.3179.4000111.7F32 V36 M39 F89 Y90 Q91 R97F32-L93 HydrophobicContact CE2-CD2 3.72Å; F32-L93 HydrophobicContact CZ-CD2 4.3Å; V36-L93 HydrophobicContact CG1-CB 4.18Å; V36-L93 HydrophobicContact CG2-CB 4.22Å; V36-L93 HydrophobicContact CG2-CD2 4.34Å; M39-L93 HydrophobicContact CE-CB 3.99Å; M39-L93 HydrophobicContact CE-CD1 4.14Å; M39-L93 HydrophobicContact SD-CD1 3.61Å; F89-L93 HydrophobicContact CD1-CD1 3.73Å; F89-L93 HydrophobicContact CD1-CG 4.23Å; F89-L93 HydrophobicContact CE1-CD1 3.28Å; F89-L93 HydrophobicContact CE1-CD2 4.41Å; F89-L93 HydrophobicContact CE1-CG 3.91Å; F89-L93 HydrophobicContact CZ-CD1 3.86Å; F89-L93 HydrophobicContact CZ-CD2 4.15Å; F89-L93 HydrophobicContact CZ-CG 4.08Å; F89-L93 WeakPolarHBondContact O-CG 3.47Å; F89-L93 PolarHBondContact O-N 3.42Å; Y90-L93 PolarHBondContact O-N 2.94Å; Q91-L93 PolarHBondContact O-N 2.95Å; L93-R97 WeakPolarHBondContact O-CB 3.36Å; L93-R97 PolarHBondContact O-N 2.93Å
94Q81.8Confident75Confident25 Ų2552.6 Ų52.612%0.11728%0.282CS..Hα-helixtrans-68.4-42.5176.9-69.3-7936.200112.2M39 Y90 Q91 M92 R97 N98M39-Q94 HydrophobicContact CE-CG 4.22Å; Y90-Q94 HydrophobicContact CD1-CG 4.06Å; Y90-Q94 HydrophobicContact CE1-CG 3.77Å; Y90-Q94 HydrophobicContact CE2-CG 4.38Å; Y90-Q94 HydrophobicContact CG-CG 4.48Å; Y90-Q94 WeakPolarHBondContact O-CB 3.16Å; Y90-Q94 WeakPolarHBondContact O-CG 3.28Å; Y90-Q94 PolarHBondContact O-N 3.49Å; Y90-Q94 PolarHBondContact OH-NE2 2.92Å; Q91-Q94 WeakPolarHBondContact O-CB 3.36Å; Q91-Q94 PolarHBondContact O-N 3.19Å; M92-Q94 PolarHBondContact O-N 3.06Å; Q94-R97 PolarHBondContact O-N 2.89Å; Q94-N98 WeakPolarHBondContact O-CB 3.18Å; Q94-N98 PolarHBondContact O-N 3.47Å; Q94-N98 PolarHBondContact O-ND2 3.16Å; Q94-N98 PolarHBondContact O-OD1 3.25Å
95M77.5Confident74.6Confident91 Ų9152.8 Ų52.845%0.44829%0.292SS..Hα-helixtrans-60.3-50174.7-71.5-174-63.800110.8Q91 M92 R97 N98 E99Q91-M95 WeakPolarHBondContact O-CG 3.39Å; Q91-M95 PolarHBondContact O-N 3.45Å; M92-M95 PolarHBondContact O-N 3.37Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.21Å; M95-N98 PolarHBondContact O-N 2.8Å; M95-N98 VanDerWaalsContact O-N 3.16Å; M95-E99 PolarHBondContact O-N 3.43Å
96I80.5Confident73.9Confident11 Ų1156.1 Ų56.16%0.05632%0.323CS..Hα-helixtrans-59.3-42.8178.7-67168.2000111.1F32 M92 L100 F129F32-I96 HydrophobicContact CE1-CG2 3.8Å; F32-I96 HydrophobicContact CE2-CG2 4.47Å; F32-I96 HydrophobicContact CZ-CB 4.07Å; F32-I96 HydrophobicContact CZ-CG2 3.49Å; F32-I96 VanDerWaalsContact CZ-CG2 3.49Å; M92-I96 HydrophobicContact CG-CD1 3.98Å; M92-I96 WeakPolarHBondContact O-CG1 3.24Å; M92-I96 PolarHBondContact O-N 3.02Å; M92-I96 HydrophobicContact SD-CD1 4.27Å; I96-L100 VanDerWaalsContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 PolarHBondContact O-N 3.12Å; I96-F129 HydrophobicContact CG1-CD1 4.33Å; I96-F129 HydrophobicContact CG2-CD1 3.56Å; I96-F129 HydrophobicContact CG2-CE1 3.32Å; I96-F129 HydrophobicContact CG2-CG 4.35Å; I96-F129 HydrophobicContact CG2-CZ 3.93Å
97R82.2Confident72.6Confident16 Ų1659.6 Ų59.66%0.0634%0.342CS..Hα-helixtrans-65.6-43177.1-172.4-127.8-80.9150.11.1111.8F32 L33 V36 L93 Q94 M95 E99 L100 V101F32-R97 HydrophobicContact CE1-CB 4.48Å; L33-R97 HydrophobicContact CD2-CB 4.44Å; L33-R97 HydrophobicContact CD2-CG 3.5Å; L33-R97 VanDerWaalsContact CD2-CG 3.5Å; V36-R97 HydrophobicContact CG1-CB 3.92Å; V36-R97 HydrophobicContact CG1-CG 4.25Å; V36-R97 PolarHBondContact O-NH2 3.35Å; L93-R97 WeakPolarHBondContact O-CB 3.36Å; L93-R97 PolarHBondContact O-N 2.93Å; Q94-R97 PolarHBondContact O-N 2.89Å; M95-R97 VanDerWaalsContact C-N 3.31Å; M95-R97 PolarHBondContact O-N 3.21Å; R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 3.45Å; R97-L100 PolarHBondContact O-N 3.45Å; R97-V101 HydrophobicContact CG-CG2 4.27Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.27Å; R97-V101 WeakPolarHBondContact O-CG2 3.05Å; R97-V101 PolarHBondContact O-N 3.49Å
98N75.1Confident71.4Confident88 Ų8864.8 Ų64.847%0.47137%0.372SS..Hα-helixtrans-61.8-43.9179.3-71.5-13.6000111Q94 M95 V101 S102Q94-N98 WeakPolarHBondContact O-CB 3.18Å; Q94-N98 PolarHBondContact O-N 3.47Å; Q94-N98 PolarHBondContact O-ND2 3.16Å; Q94-N98 PolarHBondContact O-OD1 3.25Å; M95-N98 PolarHBondContact O-N 2.8Å; M95-N98 VanDerWaalsContact O-N 3.16Å; N98-V101 PolarHBondContact O-N 3.49Å; N98-S102 WeakPolarHBondContact O-CB 3.24Å; N98-S102 PolarHBondContact O-N 3.21Å; N98-S102 PolarHBondContact O-OG 3.13Å
99E76.2Confident70.2Confident40 Ų4070 Ų7019%0.18740%0.4CS..Hα-helixtrans-65.3-40.2175.9-175.8-171.1-178.700112.7M95 R97 V101 G103 Q130M95-E99 PolarHBondContact O-N 3.43Å; R97-E99 VanDerWaalsContact C-N 3.33Å; R97-E99 PolarHBondContact O-N 3.45Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.95Å; E99-G103 CarbonylContact O-C 3.52Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.48Å; E99-G103 PolarHBondContact O-N 3.42Å; E99-Q130 VanDerWaalsContact CD-CG 3.49Å; E99-Q130 VanDerWaalsContact OE1-CB 3.25Å; E99-Q130 WeakPolarHBondContact OE1-CB 3.46Å; E99-Q130 WeakPolarHBondContact OE1-CG 3.29Å; E99-Q130 PolarHBondContact OE1-NE2 2.87Å; E99-Q130 WeakPolarHBondContact OE2-CG 3.41Å; E99-Q130 PolarHBondContact OE2-NE2 3.22Å
100L74.7Confident68.9Low32 Ų3275.8 Ų75.817%0.16842%0.419CS..Hα-helixtrans-64.8-35.5177.2-17661.3000112.3L29 F32 L33 I96 R97 L133L29-L100 HydrophobicContact CD2-CD1 4.15Å; L29-L100 HydrophobicContact CD2-CD2 3.9Å; F32-L100 HydrophobicContact CD1-CD2 4.03Å; F32-L100 HydrophobicContact CE1-CD2 4.23Å; L33-L100 HydrophobicContact CD1-CD2 3.91Å; L33-L100 HydrophobicContact CD1-CG 4.42Å; L33-L100 HydrophobicContact CD2-CD2 3.61Å; L33-L100 HydrophobicContact CD2-CG 4.25Å; L33-L100 HydrophobicContact CG-CD2 3.67Å; I96-L100 VanDerWaalsContact O-CB 3.31Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 PolarHBondContact O-N 3.12Å; R97-L100 PolarHBondContact O-N 3.45Å; L100-L133 HydrophobicContact CD1-CD2 3.76Å
101V72.4Confident67.6Low100 Ų10080.9 Ų80.961%0.60645%0.447SS*.Hα-helixtrans-86.3-41.5-177.9174.30000112.3L33 R97 N98 E99L33-V101 HydrophobicContact CD2-CG2 3.95Å; R97-V101 HydrophobicContact CG-CG2 4.27Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.27Å; R97-V101 WeakPolarHBondContact O-CG2 3.05Å; R97-V101 PolarHBondContact O-N 3.49Å; N98-V101 PolarHBondContact O-N 3.49Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 2.95Å
102S67.9Low66Low83 Ų8386.2 Ų86.258%0.5847%0.469SS*.Hα-helixtrans-89-13.2-176.2-63.30000113.3N98N98-S102 WeakPolarHBondContact O-CB 3.24Å; N98-S102 PolarHBondContact O-N 3.21Å; N98-S102 PolarHBondContact O-OG 3.13Å
103G60Low64.3Low27 Ų2790.5 Ų90.528%0.27850%0.5SS..  trans73.3171.8-169.300000111.8E99 T105E99-G103 CarbonylContact O-C 3.52Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.48Å; E99-G103 PolarHBondContact O-N 3.42Å; G103-T105 PolarHBondContact O-N 2.94Å
104P57.2Low62.3Low106 Ų10698.1 Ų98.169%0.68854%0.535SS*.  trans-66.685.8173.727.2-32.3000109.2A106P104-A106 PolarHBondContact O-N 2.86Å
105T49.7Very low60.7Low90 Ų90103.8 Ų103.855%0.55256%0.561SS**  trans-72.9121.1171.753.90000108G103 D107G103-T105 PolarHBondContact O-N 2.94Å; T105-D107 PolarHBondContact O-N 2.97Å
106A51.1Low59Low107 Ų107107.7 Ų107.788%0.88458%0.584SS**SBendtrans-6714.5178.800000114.6P104P104-A106 PolarHBondContact O-N 2.86Å
107D50Low57.5Low140 Ų140110.5 Ų110.575%0.74962%0.615SS**  trans-110.441-175.5-82.1-62.4000112.2T105 D109T105-D107 PolarHBondContact O-N 2.97Å; D107-D109 PolarHBondContact O-N 3.48Å
108D54Low56.1Low146 Ų146115 Ų11578%0.78164%0.64SS**  trans-76.959.1172.8-167.847.9000111.8
109D51.9Low55.6Low134 Ų134112.9 Ų112.972%0.71763%0.629SS**  trans-116.922.1176.2-149.410.9000112.2D107D107-D109 PolarHBondContact O-N 3.48Å
110R52.7Low55.4Low226 Ų226114.8 Ų114.885%0.85364%0.638SS**SBendtrans-130.110.4-170.4-76.9-17368.6-178.40.7118.1
111L55.4Low55.3Low133 Ų133115.8 Ų115.870%0.69665%0.646SS**  trans-129.553.7169.7-66.8173.5000112.4S113L111-S113 PolarHBondContact O-N 2.97Å
112K46.5Very low55.2Low184 Ų184112 Ų11280%0.862%0.623SS**  trans-76.568.4150.2-68.9-173.6176.3179.60108.7
113S47.6Very low55.5Low94 Ų94115.2 Ų115.266%0.65762%0.622SS**  trans-98.4103163-69.50000106.9L111 E115L111-S113 PolarHBondContact O-N 2.97Å; S113-E115 VanDerWaalsContact C-N 3.32Å; S113-E115 PolarHBondContact O-N 2.95Å
114E44.5Very low56.5Low188 Ų188121.5 Ų121.588%0.87964%0.638SS**  trans-64.287.4172-53.5-175.216700108.8
115E47.7Very low57.4Low143 Ų143121.4 Ų121.467%0.66863%0.631SS**  trans-121.889.8158-78.8-171.6169.700107.8S113 G117S113-E115 VanDerWaalsContact C-N 3.32Å; S113-E115 PolarHBondContact O-N 2.95Å; E115-G117 PolarHBondContact O-N 3.39Å
116D41.8Very low58.7Low173 Ų173117.4 Ų117.493%0.92561%0.607SS**  trans-42.8120.9164.2-17445.5000111.5
117G48Very low60Low70 Ų70115.4 Ų115.472%0.72258%0.581SS**SBendtrans125.1-16.1147.200000120.4E115E115-G117 PolarHBondContact O-N 3.39Å
118D53.3Low61.5Low110 Ų110110.2 Ų110.259%0.58856%0.557SS**SBendtrans-133.5109.6-165.7-150.624.5000116.7P85 N88P85-D118 WeakPolarHBondContact CG-OD2 3.44Å; N88-D118 PolarHBondContact ND2-OD2 3.36Å
119D65.3Low62.9Low45 Ų45106.1 Ų106.124%0.24153%0.532CS..  trans9167.5160.9-140.7-15.8000119.5T121 V122 R123D119-T121 PolarHBondContact O-N 2.99Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CA 2.96Å; D119-T121 VanDerWaalsContact OD1-CB 3.29Å; D119-T121 WeakPolarHBondContact OD1-CB 3.45Å; D119-T121 PolarHBondContact OD1-N 3.43Å; D119-T121 PolarHBondContact OD1-OG1 2.98Å; D119-V122 HydrophobicContact CB-CB 3.91Å; D119-V122 HydrophobicContact CB-CG2 3.77Å; D119-V122 WeakPolarHBondContact O-CB 3.43Å; D119-V122 PolarHBondContact O-N 3.16Å; D119-V122 VanDerWaalsContact O-N 3.16Å; D119-V122 PolarHBondContact OD1-N 3.31Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.46Å; D119-R123 PolarHBondContact O-N 3.49Å; D119-R123 VanDerWaalsContact O-N 3.13Å
120E72.4Confident64Low79 Ų79102.8 Ų102.837%0.36951%0.513SS..Hα-helixtrans-49.4-29.7163.4174.364.9-176.500112.9R123 R124E120-R123 IonicContact OE2-CZ 2.9Å; E120-R123 IonicContact OE2-NE 3.4Å; E120-R123 PolarHBondContact OE2-NE 3.37Å; E120-R123 IonicContact OE2-NH2 2.71Å; E120-R123 PolarHBondContact OE2-NH2 2.9Å; E120-R124 HydrophobicContact CG-CG 4.44Å; E120-R124 VanDerWaalsContact O-CB 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 WeakPolarHBondContact O-CG 3.4Å; E120-R124 PolarHBondContact O-N 2.98Å; E120-R124 IonicContact OE1-CZ 3.84Å; E120-R124 VanDerWaalsContact OE1-CZ 3.24Å; E120-R124 IonicContact OE1-NE 3.24Å; E120-R124 PolarHBondContact OE1-NE 2.73Å; E120-R124 IonicContact OE1-NH2 2.74Å; E120-R124 PolarHBondContact OE1-NH2 2.53Å
121T72.6Confident65.5Low54 Ų5498.3 Ų98.333%0.33150%0.502SS..Hα-helixtrans-73-41.2-179.877.50000111.8M77 D119 R124 L125M77-T121 HydrophobicContact CE-CG2 4.14Å; M77-T121 VanDerWaalsContact CE-OG1 3.27Å; M77-T121 WeakPolarHBondContact CE-OG1 3.28Å; M77-T121 HydrophobicContact SD-CG2 4.03Å; D119-T121 PolarHBondContact O-N 2.99Å; D119-T121 VanDerWaalsContact O-N 3.12Å; D119-T121 WeakPolarHBondContact OD1-CA 2.96Å; D119-T121 VanDerWaalsContact OD1-CB 3.29Å; D119-T121 WeakPolarHBondContact OD1-CB 3.45Å; D119-T121 PolarHBondContact OD1-N 3.43Å; D119-T121 PolarHBondContact OD1-OG1 2.98Å; T121-R124 PolarHBondContact O-N 3.4Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 PolarHBondContact O-N 2.91Å
122V70.4Confident67Low20 Ų2098.6 Ų98.612%0.12150%0.499CS..Hα-helixtrans-60-48.5173.6160.80000110.2M92 D119 R124 L125 S126M92-V122 HydrophobicContact CB-CG1 3.65Å; M92-V122 HydrophobicContact CE-CB 3.8Å; M92-V122 HydrophobicContact CE-CG1 3.48Å; M92-V122 VanDerWaalsContact CE-CG1 3.48Å; M92-V122 HydrophobicContact CE-CG2 3.5Å; M92-V122 VanDerWaalsContact CE-CG2 3.5Å; M92-V122 HydrophobicContact CG-CG1 3.64Å; M92-V122 HydrophobicContact SD-CB 4.37Å; M92-V122 HydrophobicContact SD-CG1 3.85Å; D119-V122 HydrophobicContact CB-CB 3.91Å; D119-V122 HydrophobicContact CB-CG2 3.77Å; D119-V122 WeakPolarHBondContact O-CB 3.43Å; D119-V122 PolarHBondContact O-N 3.16Å; D119-V122 VanDerWaalsContact O-N 3.16Å; D119-V122 PolarHBondContact OD1-N 3.31Å; D119-V122 WeakPolarHBondContact OD2-CG2 3.46Å; V122-R124 PolarHBondContact O-N 2.96Å; V122-L125 PolarHBondContact O-N 3.13Å; V122-S126 PolarHBondContact O-N 2.89Å; V122-S126 PolarHBondContact O-OG 2.83Å
123R73.7Confident68.8Low151 Ų15190.4 Ų90.457%0.5746%0.464SS*.Hα-helixtrans-62.2-42.9177.9-167.3175.868.9153.61112D119 E120 L125 S126 N127D119-R123 PolarHBondContact O-N 3.49Å; D119-R123 VanDerWaalsContact O-N 3.13Å; E120-R123 IonicContact OE2-CZ 2.9Å; E120-R123 IonicContact OE2-NE 3.4Å; E120-R123 PolarHBondContact OE2-NE 3.37Å; E120-R123 IonicContact OE2-NH2 2.71Å; E120-R123 PolarHBondContact OE2-NH2 2.9Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.3Å; R123-S126 PolarHBondContact O-N 3.36Å; R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.97Å; R123-N127 PolarHBondContact O-ND2 2.92Å
124R80Confident70.5Confident159 Ų15992.2 Ų92.260%0.646%0.462SS*.Hα-helixtrans-60.3-43.3174.5-79174.9-174-171.78.9112.1E120 T121 V122 N127 A128E120-R124 HydrophobicContact CG-CG 4.44Å; E120-R124 VanDerWaalsContact O-CB 3.32Å; E120-R124 WeakPolarHBondContact O-CB 3.34Å; E120-R124 WeakPolarHBondContact O-CG 3.4Å; E120-R124 PolarHBondContact O-N 2.98Å; E120-R124 IonicContact OE1-CZ 3.84Å; E120-R124 VanDerWaalsContact OE1-CZ 3.24Å; E120-R124 IonicContact OE1-NE 3.24Å; E120-R124 PolarHBondContact OE1-NE 2.73Å; E120-R124 IonicContact OE1-NH2 2.74Å; E120-R124 PolarHBondContact OE1-NH2 2.53Å; T121-R124 PolarHBondContact O-N 3.4Å; V122-R124 PolarHBondContact O-N 2.96Å; R124-N127 PolarHBondContact O-N 3.2Å; R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.19Å
125L77.7Confident72.5Confident104 Ų10484.8 Ų84.855%0.54544%0.436SS..Hα-helixtrans-66.2-45.1-179.7-178.160.7000111.5M92 T121 V122 R123 A128 F129M92-L125 HydrophobicContact SD-CB 4.25Å; M92-L125 HydrophobicContact SD-CD2 4.02Å; M92-L125 HydrophobicContact SD-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.2Å; T121-L125 PolarHBondContact O-N 2.91Å; V122-L125 PolarHBondContact O-N 3.13Å; R123-L125 VanDerWaalsContact C-N 3.35Å; R123-L125 PolarHBondContact O-N 3.3Å; L125-A128 PolarHBondContact O-N 3.43Å; L125-F129 WeakPolarHBondContact O-CB 3.35Å; L125-F129 PolarHBondContact O-N 3.31Å
126S76.6Confident74.4Confident6 Ų681 Ų814%0.04242%0.42CS..Hα-helixtrans-54.2-60.1170.9-70.30000110.1M92 V122 R123 A128 F129 Q130M92-S126 WeakPolarHBondContact CG-OG 3.27Å; V122-S126 PolarHBondContact O-N 2.89Å; V122-S126 PolarHBondContact O-OG 2.83Å; R123-S126 PolarHBondContact O-N 3.36Å; S126-A128 VanDerWaalsContact C-N 3.27Å; S126-A128 PolarHBondContact O-N 3.27Å; S126-F129 WeakPolarHBondContact O-CA 3Å; S126-F129 WeakPolarHBondContact O-CB 3.27Å; S126-F129 PolarHBondContact O-N 3.48Å; S126-Q130 VanDerWaalsContact O-CG 3.24Å; S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 3.29Å
127N77.9Confident76.5Confident65 Ų6577.8 Ų77.835%0.34840%0.398SS..Hα-helixtrans-54.5-42-177.5-71.2-13.7000112.6R123 R124 Q130 Q131R123-N127 WeakPolarHBondContact O-CB 3.42Å; R123-N127 PolarHBondContact O-N 2.97Å; R123-N127 PolarHBondContact O-ND2 2.92Å; R124-N127 PolarHBondContact O-N 3.2Å; N127-Q130 PolarHBondContact O-N 2.92Å; N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.49Å
128A82.6Confident78.3Confident30 Ų3077.1 Ų77.125%0.24838%0.382CS..Hα-helixtrans-63.6-44.5176.200000111.8R124 L125 S126 Q130 Q131 H132R124-A128 VanDerWaalsContact O-CB 3.28Å; R124-A128 WeakPolarHBondContact O-CB 3.31Å; R124-A128 PolarHBondContact O-N 3.19Å; L125-A128 PolarHBondContact O-N 3.43Å; S126-A128 VanDerWaalsContact C-N 3.27Å; S126-A128 PolarHBondContact O-N 3.27Å; A128-Q130 PolarHBondContact O-N 3.44Å; A128-Q131 PolarHBondContact O-N 2.91Å; A128-H132 WeakPolarHBondContact O-CB 3.18Å; A128-H132 PolarHBondContact O-CD2 2.94Å; A128-H132 PolarHBondContact O-N 3.47Å
129F81.6Confident80.2Confident60 Ų6076.4 Ų76.426%0.26338%0.377SS..Hα-helixtrans-59.3-46.5174.5177.2-90.7000111.6L29 I96 L125 S126 Q131 H132 L133L29-F129 HydrophobicContact CD2-CZ 4.4Å; I96-F129 HydrophobicContact CG1-CD1 4.33Å; I96-F129 HydrophobicContact CG2-CD1 3.56Å; I96-F129 HydrophobicContact CG2-CE1 3.32Å; I96-F129 HydrophobicContact CG2-CG 4.35Å; I96-F129 HydrophobicContact CG2-CZ 3.93Å; L125-F129 WeakPolarHBondContact O-CB 3.35Å; L125-F129 PolarHBondContact O-N 3.31Å; S126-F129 WeakPolarHBondContact O-CA 3Å; S126-F129 WeakPolarHBondContact O-CB 3.27Å; S126-F129 PolarHBondContact O-N 3.48Å; F129-Q131 PolarHBondContact O-N 3.49Å; F129-H132 PolarHBondContact O-N 3.35Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 4.09Å; F129-L133 HydrophobicContact CZ-CD1 4.38Å; F129-L133 HydrophobicContact CZ-CD2 4.39Å; F129-L133 WeakPolarHBondContact O-CB 3.35Å; F129-L133 PolarHBondContact O-N 3.44Å
130Q76.7Confident81.3Confident65 Ų6578.4 Ų78.430%0.30439%0.388SS..Hα-helixtrans-57.5-51.4177.4-55-165.4-47.200111.1E99 S126 N127 A128 H132 L133 Q134E99-Q130 VanDerWaalsContact CD-CG 3.49Å; E99-Q130 VanDerWaalsContact OE1-CB 3.25Å; E99-Q130 WeakPolarHBondContact OE1-CB 3.46Å; E99-Q130 WeakPolarHBondContact OE1-CG 3.29Å; E99-Q130 PolarHBondContact OE1-NE2 2.87Å; E99-Q130 WeakPolarHBondContact OE2-CG 3.41Å; E99-Q130 PolarHBondContact OE2-NE2 3.22Å; S126-Q130 VanDerWaalsContact O-CG 3.24Å; S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 3.29Å; N127-Q130 PolarHBondContact O-N 2.92Å; A128-Q130 PolarHBondContact O-N 3.44Å; Q130-H132 VanDerWaalsContact C-N 3.33Å; Q130-H132 PolarHBondContact O-N 2.87Å; Q130-L133 PolarHBondContact O-N 3Å; Q130-Q134 VanDerWaalsContact O-CB 3.32Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 PolarHBondContact O-N 3.32Å
131Q84Confident82.1Confident132 Ų13279.7 Ų79.762%0.61740%0.397SS*.Hα-helixtrans-60.4-42.3180-73.8173.41.500111.8N127 A128 F129 G135N127-Q131 WeakPolarHBondContact O-CB 3.42Å; N127-Q131 WeakPolarHBondContact O-CG 3.43Å; N127-Q131 PolarHBondContact O-N 3.49Å; A128-Q131 PolarHBondContact O-N 2.91Å; F129-Q131 PolarHBondContact O-N 3.49Å; Q131-G135 PolarHBondContact O-N 3.22Å
132H87.2Confident82.9Confident139 Ų13982.9 Ų82.964%0.64441%0.408SS*.Hα-helixtrans-67.5-41.2177.5-68.5-32000112.3A128 F129 Q130 L136A128-H132 WeakPolarHBondContact O-CB 3.18Å; A128-H132 PolarHBondContact O-CD2 2.94Å; A128-H132 PolarHBondContact O-N 3.47Å; F129-H132 PolarHBondContact O-N 3.35Å; Q130-H132 VanDerWaalsContact C-N 3.33Å; Q130-H132 PolarHBondContact O-N 2.87Å; H132-L136 VanDerWaalsContact O-CB 3.24Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.03Å
133L83.6Confident83.9Confident12 Ų1287.1 Ų87.16%0.06343%0.429CS..Hα-helixtrans-67.7-45.1178.8-166.176.7000111.2L29 L100 F129 Q130 L136 F137L29-L133 HydrophobicContact CD2-CD1 4.5Å; L100-L133 HydrophobicContact CD1-CD2 3.76Å; F129-L133 HydrophobicContact CE1-CB 4.48Å; F129-L133 HydrophobicContact CE1-CD2 4.09Å; F129-L133 HydrophobicContact CZ-CD1 4.38Å; F129-L133 HydrophobicContact CZ-CD2 4.39Å; F129-L133 WeakPolarHBondContact O-CB 3.35Å; F129-L133 PolarHBondContact O-N 3.44Å; Q130-L133 PolarHBondContact O-N 3Å; L133-L136 PolarHBondContact O-N 3.17Å; L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CD1-CZ 4.09Å; L133-F137 HydrophobicContact CD2-CE2 3.65Å; L133-F137 HydrophobicContact CD2-CZ 4.05Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 3.88Å; L133-F137 WeakPolarHBondContact O-CD2 3.08Å; L133-F137 WeakPolarHBondContact O-CG 3.5Å; L133-F137 PolarHBondContact O-N 3.01Å
134Q82.6Confident84.7Confident131 Ų13183.4 Ų83.461%0.61242%0.423SS*.Hα-helixtrans-62.1-44.1175.5-173.3-178.512.700111.6Q130 F137 S138Q130-Q134 VanDerWaalsContact O-CB 3.32Å; Q130-Q134 WeakPolarHBondContact O-CB 3.41Å; Q130-Q134 PolarHBondContact O-N 3.32Å; Q134-F137 PolarHBondContact O-N 3.01Å; Q134-S138 WeakPolarHBondContact O-CB 3.35Å; Q134-S138 PolarHBondContact O-N 3.27Å
135G87.7Confident85.3Confident32 Ų3280.2 Ų80.233%0.3342%0.418SS..Hα-helixtrans-61-45.1174.800000111.9Q131 S138 I139Q131-G135 PolarHBondContact O-N 3.22Å; G135-S138 PolarHBondContact O-N 2.87Å; G135-I139 VanDerWaalsContact O-CG1 3.28Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.39Å
136L87.7Confident86Confident65 Ų6577.9 Ų77.934%0.3441%0.414SS..Hα-helixtrans-61.2-46.7176.1-177.965000111.6I25 H132 L133 S138 I139 L140I25-L136 HydrophobicContact CG1-CD2 4.34Å; H132-L136 VanDerWaalsContact O-CB 3.24Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.03Å; L133-L136 PolarHBondContact O-N 3.17Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.77Å; L136-I139 PolarHBondContact O-N 3.27Å; L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.41Å; L136-L140 HydrophobicContact CG-CD1 4.12Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 3.19Å
137F84.7Confident86.7Confident104 Ų10480 Ų8046%0.45643%0.432SS..Hα-helixtrans-60.4-42176.1-72.1-34.9000112.2L133 Q134 I139 L140 L141L133-F137 HydrophobicContact CD1-CE2 4.28Å; L133-F137 HydrophobicContact CD1-CZ 4.09Å; L133-F137 HydrophobicContact CD2-CE2 3.65Å; L133-F137 HydrophobicContact CD2-CZ 4.05Å; L133-F137 HydrophobicContact CG-CD2 4.08Å; L133-F137 HydrophobicContact CG-CE2 3.56Å; L133-F137 HydrophobicContact CG-CZ 3.88Å; L133-F137 WeakPolarHBondContact O-CD2 3.08Å; L133-F137 WeakPolarHBondContact O-CG 3.5Å; L133-F137 PolarHBondContact O-N 3.01Å; Q134-F137 PolarHBondContact O-N 3.01Å; F137-I139 PolarHBondContact O-N 2.73Å; F137-L140 PolarHBondContact O-N 2.91Å; F137-L141 WeakPolarHBondContact O-CB 3.42Å; F137-L141 PolarHBondContact O-N 3.01Å
138S86.9Confident87.3Confident57 Ų5781.5 Ų81.540%0.39944%0.44SS..Hα-helixtrans-60.5-45.2175.9-177.20000111.9Q134 G135 L136 L141 Q142Q134-S138 WeakPolarHBondContact O-CB 3.35Å; Q134-S138 PolarHBondContact O-N 3.27Å; G135-S138 PolarHBondContact O-N 2.87Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 2.77Å; S138-L141 PolarHBondContact O-N 2.97Å; S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.42Å; S138-Q142 PolarHBondContact OG-NE2 3.41Å
139I91.6Very high87.7Confident94 Ų9487.5 Ų87.548%0.48246%0.457SS..Hα-helixtrans-64.9-44.9178.2-66.5163.4000110.7G135 L136 F137 L141 Q142 L143G135-I139 VanDerWaalsContact O-CG1 3.28Å; G135-I139 WeakPolarHBondContact O-CG1 3.5Å; G135-I139 PolarHBondContact O-N 3.39Å; L136-I139 PolarHBondContact O-N 3.27Å; F137-I139 PolarHBondContact O-N 2.73Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.13Å; I139-Q142 PolarHBondContact O-N 2.99Å; I139-L143 HydrophobicContact CG2-CD1 3.85Å; I139-L143 HydrophobicContact CG2-CG 4.27Å; I139-L143 WeakPolarHBondContact O-CB 3.4Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.14Å
140L88.9Confident88.1Confident87 Ų8790.6 Ų90.646%0.45548%0.475SS..Hα-helixtrans-61.6-38.2178.1-73.3175.1000112L136 F137 T144L136-L140 HydrophobicContact CD1-CD1 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.41Å; L136-L140 HydrophobicContact CG-CD1 4.12Å; L136-L140 HydrophobicContact CG-CG 4.47Å; L136-L140 WeakPolarHBondContact O-CB 3.43Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.33Å; L136-L140 PolarHBondContact O-N 3.19Å; F137-L140 PolarHBondContact O-N 2.91Å; L140-T144 VanDerWaalsContact O-CB 3.3Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.38Å; L140-T144 PolarHBondContact O-OG1 3.32Å
141L88.8Confident88.6Confident107 Ų10790.9 Ų90.956%0.5648%0.482SS*.Hα-helixtrans-65.8-48.1175.2-172.666.7000111.2F137 S138 I139 L143 T144 D145F137-L141 WeakPolarHBondContact O-CB 3.42Å; F137-L141 PolarHBondContact O-N 3.01Å; S138-L141 PolarHBondContact O-N 2.97Å; I139-L141 VanDerWaalsContact C-N 3.29Å; I139-L141 PolarHBondContact O-N 3.13Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.97Å; L141-T144 VanDerWaalsContact O-N 3.1Å; L141-D145 PolarHBondContact O-N 3.47Å
142Q91.3Very high88.8Confident121 Ų12190.6 Ų90.657%0.56548%0.479SS*.Hα-helixtrans-59.4-41.9176.5-73.3176.360.600112.4S138 I139 T144 D145 A146S138-Q142 WeakPolarHBondContact O-CG 3.41Å; S138-Q142 PolarHBondContact O-N 3.42Å; S138-Q142 PolarHBondContact OG-NE2 3.41Å; I139-Q142 PolarHBondContact O-N 2.99Å; Q142-T144 VanDerWaalsContact C-N 3.32Å; Q142-D145 PolarHBondContact O-N 2.88Å; Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 3.4Å
143L90.3Very high88.7Confident108 Ų10889.4 Ų89.457%0.56547%0.468SS*.Hα-helixtrans-66.6-36176.2-72.4174.2000111.9I139 L141 A146 A147I139-L143 HydrophobicContact CG2-CD1 3.85Å; I139-L143 HydrophobicContact CG2-CG 4.27Å; I139-L143 WeakPolarHBondContact O-CB 3.4Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.14Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 3.24Å; L143-A146 PolarHBondContact O-N 2.9Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.89Å
144T90.3Very high88.6Confident73 Ų7395.7 Ų95.745%0.44849%0.492SS..Hα-helixtrans-66.7-44.3175.4-62.30000110.8L140 L141 Q142 A147 N148L140-T144 VanDerWaalsContact O-CB 3.3Å; L140-T144 WeakPolarHBondContact O-CB 3.45Å; L140-T144 PolarHBondContact O-N 3.38Å; L140-T144 PolarHBondContact O-OG1 3.32Å; L141-T144 WeakPolarHBondContact O-CB 3.32Å; L141-T144 PolarHBondContact O-N 2.97Å; L141-T144 VanDerWaalsContact O-N 3.1Å; Q142-T144 VanDerWaalsContact C-N 3.32Å; T144-A147 PolarHBondContact O-N 3.45Å; T144-N148 WeakPolarHBondContact O-CB 3.3Å; T144-N148 VanDerWaalsContact O-CG 3.23Å; T144-N148 PolarHBondContact O-N 3Å; T144-N148 PolarHBondContact O-ND2 3.07Å
145D92.2Very high88.8Confident93 Ų9394.7 Ų94.750%0.49749%0.488SS..Hα-helixtrans-63.3-42.4174.9-72.6-21.2000111.6L141 Q142 N148 Y149L141-D145 PolarHBondContact O-N 3.47Å; Q142-D145 PolarHBondContact O-N 2.88Å; D145-N148 PolarHBondContact O-N 3.5Å; D145-Y149 VanDerWaalsContact O-CB 3.3Å; D145-Y149 WeakPolarHBondContact O-CB 3.49Å; D145-Y149 PolarHBondContact O-N 2.93Å
146A92.5Very high88.6Confident54 Ų5496.8 Ų96.845%0.44649%0.491SS..Hα-helixtrans-62.1-42.6174.600000112Q142 L143 Y149 L150Q142-A146 WeakPolarHBondContact O-CB 3.42Å; Q142-A146 PolarHBondContact O-N 3.4Å; L143-A146 PolarHBondContact O-N 2.9Å; A146-Y149 PolarHBondContact O-N 2.84Å; A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.82Å
147A91.6Very high88.1Confident51 Ų5197.2 Ų97.242%0.42149%0.494SS..Hα-helixtrans-65.8-41.6176.600000112.2L143 T144 L150 T151L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.49Å; L143-A147 PolarHBondContact O-N 2.89Å; T144-A147 PolarHBondContact O-N 3.45Å; A147-L150 PolarHBondContact O-N 3.44Å; A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 2.8Å
148N91Very high87.2Confident96 Ų9697.2 Ų97.251%0.51349%0.494SS..Hα-helixtrans-65-43.4175-73.3-31.3000111.5T144 D145 T151 K152T144-N148 WeakPolarHBondContact O-CB 3.3Å; T144-N148 VanDerWaalsContact O-CG 3.23Å; T144-N148 PolarHBondContact O-N 3Å; T144-N148 PolarHBondContact O-ND2 3.07Å; D145-N148 PolarHBondContact O-N 3.5Å; N148-T151 PolarHBondContact O-N 3.08Å; N148-K152 WeakPolarHBondContact O-CB 3.49Å; N148-K152 PolarHBondContact O-N 3.43Å
149Y91.3Very high86Confident157 Ų157100.1 Ų100.162%0.61651%0.505SS*.Hα-helixtrans-61-46.4175.4175.1-97.1000111.5D145 A146 T151 K152 R153D145-Y149 VanDerWaalsContact O-CB 3.3Å; D145-Y149 WeakPolarHBondContact O-CB 3.49Å; D145-Y149 PolarHBondContact O-N 2.93Å; A146-Y149 PolarHBondContact O-N 2.84Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3Å; Y149-K152 PolarHBondContact O-N 3.33Å; Y149-R153 WeakPolarHBondContact O-CB 3.13Å; Y149-R153 PolarHBondContact O-N 2.84Å
150L89.2Confident84.4Confident124 Ų12498.8 Ų98.865%0.64951%0.508SS*.Hα-helixtrans-59.6-44.8176.4-176.169.2000111.3A146 A147 R153 Y154A146-L150 WeakPolarHBondContact O-CB 3.24Å; A146-L150 PolarHBondContact O-N 2.82Å; A147-L150 PolarHBondContact O-N 3.44Å; L150-R153 PolarHBondContact O-N 2.69Å; L150-Y154 WeakPolarHBondContact O-CB 3.3Å; L150-Y154 PolarHBondContact O-N 3.3Å
151T87.8Confident83Confident72 Ų7299 Ų9944%0.44252%0.517SS..Hα-helixtrans-60.5-46.8177.5-57.90000111A147 N148 Y149 Y154 Q155A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.89Å; A147-T151 PolarHBondContact O-OG1 2.8Å; N148-T151 PolarHBondContact O-N 3.08Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 3Å; T151-Y154 PolarHBondContact O-N 3.04Å; T151-Q155 WeakPolarHBondContact O-CG 3.42Å; T151-Q155 PolarHBondContact O-N 3Å
152K88.2Confident81.6Confident126 Ų12699.3 Ų99.355%0.54852%0.523SS..Hα-helixtrans-64.1-45.9177.8-175.7178.3178.8179.60112.1N148 Y149 Y154 Q155 D156N148-K152 WeakPolarHBondContact O-CB 3.49Å; N148-K152 PolarHBondContact O-N 3.43Å; Y149-K152 PolarHBondContact O-N 3.33Å; K152-Y154 VanDerWaalsContact C-N 3.3Å; K152-Y154 PolarHBondContact O-N 3.2Å; K152-Q155 PolarHBondContact O-N 3.28Å; K152-D156 PolarHBondContact O-N 3.1Å
153R85Confident79.8Confident113 Ų113100 Ų10043%0.42653%0.53SS..Hα-helixtrans-63.2-38.8-179.8-171.769.6-175.8111.319.8111.7Y149 L150 D157Y149-R153 WeakPolarHBondContact O-CB 3.13Å; Y149-R153 PolarHBondContact O-N 2.84Å; L150-R153 PolarHBondContact O-N 2.69Å; R153-D157 IonicContact CZ-OD1 3.08Å; R153-D157 IonicContact CZ-OD2 3.49Å; R153-D157 IonicContact NE-OD2 3.95Å; R153-D157 IonicContact NH1-OD1 3.3Å; R153-D157 PolarHBondContact NH1-OD1 2.75Å; R153-D157 IonicContact NH1-OD2 2.72Å; R153-D157 IonicContact NH2-OD1 2.92Å; R153-D157 PolarHBondContact NH2-OD1 3.35Å; R153-D157 IonicContact NH2-OD2 3.24Å; R153-D157 PolarHBondContact NH2-OD2 3.17Å; R153-D157 PolarHBondContact O-N 3.07Å; R153-D157 VanDerWaalsContact O-N 3.09Å
154Y82.1Confident78.1Confident145 Ų14599.7 Ų99.757%0.56953%0.534SS*.Hα-helixtrans-63-47.2172.9-173.8-88.8000111.1L150 T151 K152 D156 D157 F158L150-Y154 WeakPolarHBondContact O-CB 3.3Å; L150-Y154 PolarHBondContact O-N 3.3Å; T151-Y154 PolarHBondContact O-N 3.04Å; K152-Y154 VanDerWaalsContact C-N 3.3Å; K152-Y154 PolarHBondContact O-N 3.2Å; Y154-D156 PolarHBondContact O-N 3.11Å; Y154-D157 PolarHBondContact O-N 3.31Å; Y154-F158 AromaticContact CD1-CD2 3.83Å; Y154-F158 HydrophobicContact CD1-CD2 3.83Å; Y154-F158 AromaticContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD2-CD2 4.15Å; Y154-F158 AromaticContact CD2-CE2 3.68Å; Y154-F158 HydrophobicContact CD2-CE2 3.68Å; Y154-F158 AromaticContact CE1-CD2 3.62Å; Y154-F158 HydrophobicContact CE1-CD2 3.62Å; Y154-F158 AromaticContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CE2 3.49Å; Y154-F158 VanDerWaalsContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CG 4.2Å; Y154-F158 AromaticContact CE1-CZ 3.96Å; Y154-F158 HydrophobicContact CE1-CZ 3.96Å; Y154-F158 AromaticContact CE2-CD2 3.98Å; Y154-F158 HydrophobicContact CE2-CD2 3.98Å; Y154-F158 AromaticContact CE2-CE2 3.16Å; Y154-F158 HydrophobicContact CE2-CE2 3.16Å; Y154-F158 AromaticContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CG-CD2 4.1Å; Y154-F158 HydrophobicContact CG-CE2 4.08Å; Y154-F158 AromaticContact CZ-CD2 3.71Å; Y154-F158 AromaticContact CZ-CE2 3.04Å; Y154-F158 AromaticContact CZ-CZ 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.24Å; Y154-F158 PolarHBondContact O-N 3.2Å; Y154-F158 VanDerWaalsContact O-N 3.09Å; Y154-F158 WeakPolarHBondContact OH-CE2 3.28Å; Y154-F158 WeakPolarHBondContact OH-CZ 3.32Å
155Q85.8Confident76.5Confident109 Ų109101.4 Ų101.451%0.50955%0.546SS..Hα-helixtrans-59.3-46.9176.7-72.1169.7-10.100112.1T151 K152 D157 F158 D159T151-Q155 WeakPolarHBondContact O-CG 3.42Å; T151-Q155 PolarHBondContact O-N 3Å; K152-Q155 PolarHBondContact O-N 3.28Å; Q155-D157 PolarHBondContact O-N 2.92Å; Q155-F158 PolarHBondContact O-N 3.41Å; Q155-D159 WeakPolarHBondContact O-CB 3.15Å; Q155-D159 PolarHBondContact O-N 3.22Å
156D83.3Confident74.8Confident76 Ų76102 Ų10241%0.40656%0.556SS.*Hα-helixtrans-61-41.7179.7-72.2-14.1000112.4K152 Y154 A160K152-D156 PolarHBondContact O-N 3.1Å; Y154-D156 PolarHBondContact O-N 3.11Å; D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.81Å
157D78.1Confident72.7Confident74 Ų74107.7 Ų107.740%0.39658%0.577SS.*Hα-helixtrans-71.9-33-180-75.4-16.9000112.1R153 Y154 Q155 S161R153-D157 IonicContact CZ-OD1 3.08Å; R153-D157 IonicContact CZ-OD2 3.49Å; R153-D157 IonicContact NE-OD2 3.95Å; R153-D157 IonicContact NH1-OD1 3.3Å; R153-D157 PolarHBondContact NH1-OD1 2.75Å; R153-D157 IonicContact NH1-OD2 2.72Å; R153-D157 IonicContact NH2-OD1 2.92Å; R153-D157 PolarHBondContact NH2-OD1 3.35Å; R153-D157 IonicContact NH2-OD2 3.24Å; R153-D157 PolarHBondContact NH2-OD2 3.17Å; R153-D157 PolarHBondContact O-N 3.07Å; R153-D157 VanDerWaalsContact O-N 3.09Å; Y154-D157 PolarHBondContact O-N 3.31Å; Q155-D157 PolarHBondContact O-N 2.92Å; D157-S161 WeakPolarHBondContact O-CB 3.06Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 VanDerWaalsContact O-N 3.07Å; D157-S161 PolarHBondContact O-OG 2.83Å
158F66.1Low71Confident104 Ų104117.9 Ų117.946%0.45661%0.613SS.*Hα-helixtrans-71.2-44.4173.5-85.1-102.1000111.7Y154 Q155 A160 S161 V162Y154-F158 AromaticContact CD1-CD2 3.83Å; Y154-F158 HydrophobicContact CD1-CD2 3.83Å; Y154-F158 AromaticContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD1-CE2 3.99Å; Y154-F158 HydrophobicContact CD2-CD2 4.15Å; Y154-F158 AromaticContact CD2-CE2 3.68Å; Y154-F158 HydrophobicContact CD2-CE2 3.68Å; Y154-F158 AromaticContact CE1-CD2 3.62Å; Y154-F158 HydrophobicContact CE1-CD2 3.62Å; Y154-F158 AromaticContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CE2 3.49Å; Y154-F158 VanDerWaalsContact CE1-CE2 3.49Å; Y154-F158 HydrophobicContact CE1-CG 4.2Å; Y154-F158 AromaticContact CE1-CZ 3.96Å; Y154-F158 HydrophobicContact CE1-CZ 3.96Å; Y154-F158 AromaticContact CE2-CD2 3.98Å; Y154-F158 HydrophobicContact CE2-CD2 3.98Å; Y154-F158 AromaticContact CE2-CE2 3.16Å; Y154-F158 HydrophobicContact CE2-CE2 3.16Å; Y154-F158 AromaticContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CE2-CZ 3.73Å; Y154-F158 HydrophobicContact CG-CD2 4.1Å; Y154-F158 HydrophobicContact CG-CE2 4.08Å; Y154-F158 AromaticContact CZ-CD2 3.71Å; Y154-F158 AromaticContact CZ-CE2 3.04Å; Y154-F158 AromaticContact CZ-CZ 3.31Å; Y154-F158 WeakPolarHBondContact O-CD2 3.24Å; Y154-F158 PolarHBondContact O-N 3.2Å; Y154-F158 VanDerWaalsContact O-N 3.09Å; Y154-F158 WeakPolarHBondContact OH-CE2 3.28Å; Y154-F158 WeakPolarHBondContact OH-CZ 3.32Å; Q155-F158 PolarHBondContact O-N 3.41Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 2.96Å; F158-S161 PolarHBondContact O-N 3.13Å; F158-S161 PolarHBondContact O-OG 3.41Å; F158-V162 VanDerWaalsContact O-CG2 3.29Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.05Å
159D60.4Low69.9Low118 Ų118119 Ų11963%0.63162%0.618SS**Hα-helixtrans-66-34176.6-77.4-28.8000112.2Q155Q155-D159 WeakPolarHBondContact O-CB 3.15Å; Q155-D159 PolarHBondContact O-N 3.22Å
160A59.2Low68.8Low66 Ų66117 Ų11755%0.54562%0.618SS.*Hα-helixtrans-72.7-33.3175.500000113.3D156 F158 V162D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.81Å; F158-A160 VanDerWaalsContact C-N 3.33Å; F158-A160 PolarHBondContact O-N 2.96Å; A160-V162 VanDerWaalsContact C-N 3.31Å; A160-V162 PolarHBondContact O-N 2.9Å
161S59.1Low67.7Low91 Ų91116.6 Ų116.664%0.63662%0.616SS**Hα-helixtrans-76.1-15.7179.771.90000114.4D157 F158D157-S161 WeakPolarHBondContact O-CB 3.06Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-S161 VanDerWaalsContact O-N 3.07Å; D157-S161 PolarHBondContact O-OG 2.83Å; F158-S161 PolarHBondContact O-N 3.13Å; F158-S161 PolarHBondContact O-OG 3.41Å
162V58.3Low66.5Low114 Ų114119.2 Ų119.269%0.69163%0.627SS**THydrogen-bonded Turntrans-89.7-10.3-179.2173.60000112.4F158 A160 P164F158-V162 VanDerWaalsContact O-CG2 3.29Å; F158-V162 WeakPolarHBondContact O-CG2 3.37Å; F158-V162 PolarHBondContact O-N 3.05Å; A160-V162 VanDerWaalsContact C-N 3.31Å; A160-V162 PolarHBondContact O-N 2.9Å; V162-P164 WeakPolarHBondContact O-CD 3.36Å
163L54.4Low65.2Low137 Ų137118.8 Ų118.872%0.71763%0.631SS**SBendtrans-85.2116.3178.3-104.4154.9000111.5
164P55.2Low63.8Low101 Ų101119.2 Ų119.266%0.65665%0.645SS**PPolyproline II helixtrans-64.2146.317227.2-33000110.1V162V162-P164 WeakPolarHBondContact O-CD 3.36Å
165P55.1Low62.5Low108 Ų108117.4 Ų117.470%0.70165%0.651SS**PPolyproline II helixtrans-58.1145.1178.223.6-32.1000110.5L167P165-L167 PolarHBondContact O-N 3.06Å
166P57.9Low60.7Low107 Ų107118 Ų11870%0.69566%0.661SS**PPolyproline II helixtrans-60.3124177.825.4-32.4000108.9F168P166-F168 HydrophobicContact CB-CD2 4.19Å; P166-F168 HydrophobicContact CB-CE2 4.49Å; P166-F168 PolarHBondContact O-N 3.23Å
167L47.9Very low58.9Low172 Ų172121.5 Ų121.590%0.90168%0.683SS**  trans-67.4100170.2-66.4177.6000107.9P165P165-L167 PolarHBondContact O-N 3.06Å
168F54.8Low57.1Low266 Ų266125.8 Ų125.8100%1.16771%0.709SS**  trans-127.90159.7-80.6-70.9000109.1P166P166-F168 HydrophobicContact CB-CD2 4.19Å; P166-F168 HydrophobicContact CB-CE2 4.49Å; P166-F168 PolarHBondContact O-N 3.23Å

Retrieved 168 of 168 residues in 255.9 ms (Link to these results)