A0A077Z2S1_TRITR Loading...

HEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low59.8Low241 Ų241150.3 Ų150.3100%1.18782%0.818SS**  0121.20-66.487.817600108.7
2R48Very low60.2Low236 Ų236157.8 Ų157.889%0.89183%0.825SS**PPolyproline II helixtrans-103.7137.3167.1-78.1-172.2-163.8166.85.4108
3P65.3Low60.7Low117 Ų117153.7 Ų153.776%0.7681%0.814SS**PPolyproline II helixtrans-72.8138.6179.231.5-32.3000109.9N5P3-N5 PolarHBondContact O-N 2.84Å
4H60.5Low61.1Low166 Ų166150.4 Ų150.477%0.76981%0.809SS**PPolyproline II helixtrans-68.4117169.7-96.9-111000109.3N6H4-N6 PolarHBondContact O-N 3.33Å
5N65.2Low61.7Low134 Ų134147.9 Ų147.972%0.71780%0.804SS**  trans-75.4101.4161-84.611.2000108P3 E7P3-N5 PolarHBondContact O-N 2.84Å; N5-E7 PolarHBondContact O-N 3.34Å; N5-E7 VanDerWaalsContact O-N 3.14Å
6N59.8Low61.8Low131 Ų131153.8 Ų153.870%0.70181%0.811SS**  trans-82.959.9172.2-73.6-7.9000110.7H4 S8H4-N6 PolarHBondContact O-N 3.33Å; N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 2.83Å
7E67.8Low62Low166 Ų166151.4 Ų151.478%0.77681%0.81SS**  trans-81.884.3172.9-66.1-173137.900109.1N5 C9N5-E7 PolarHBondContact O-N 3.34Å; N5-E7 VanDerWaalsContact O-N 3.14Å; E7-C9 PolarHBondContact O-N 3.08Å
8S56.5Low62.6Low107 Ų107155.6 Ų155.675%0.74881%0.813SS**  trans-55.2106.2168-61.40000109.5N6 A10N6-S8 VanDerWaalsContact C-N 3.29Å; N6-S8 PolarHBondContact O-N 2.83Å; S8-A10 PolarHBondContact O-N 3.02Å
9C63.2Low62.9Low139 Ų139153.5 Ų153.594%0.93981%0.81SS**  trans-76.851-175.9-149.80000112.2E7E7-C9 PolarHBondContact O-N 3.08Å
10A61.6Low62.9Low86 Ų86154.4 Ų154.471%0.71181%0.814SS**  trans-115.530.4-167.600000114.3S8S8-A10 PolarHBondContact O-N 3.02Å
11T62.2Low63Low130 Ų130157.9 Ų157.980%0.79882%0.816SS**  trans-137.667.2171.8-39.20000110.4P13T11-P13 WeakPolarHBondContact O-CD 3.5Å
12R63.6Low63.5Low240 Ų240151.7 Ų151.791%0.90679%0.794SS**  trans-80.1114157.4-156176.7-167.7-154.33.5106S14R12-S14 PolarHBondContact O-N 3.43Å
13P66.7Low64Low105 Ų105146.9 Ų146.968%0.68279%0.791SS**PPolyproline II helixtrans-56.2134175.4-18.530.2000108.2T11T11-P13 WeakPolarHBondContact O-CD 3.5Å
14S66.7Low63.4Low107 Ų107151.4 Ų151.475%0.74879%0.793SS**PPolyproline II helixtrans-51.1130.7167.1-171.20000107.6R12 R16R12-S14 PolarHBondContact O-N 3.43Å; S14-R16 PolarHBondContact O-N 2.83Å; S14-R16 VanDerWaalsContact O-N 3.15Å
15P69.8Low63.1Low113 Ų113146.9 Ų146.973%0.73478%0.78SS**PPolyproline II helixtrans-51.5128.7176.6-20.429.7000107.8S17P15-S17 PolarHBondContact O-N 2.89Å; P15-S17 VanDerWaalsContact O-N 3.12Å
16R64.4Low62.8Low242 Ų242143.4 Ų143.491%0.91377%0.765SS**  trans-44.2127.9171.8-79-179.3179.6163.4-0.1107.6S14 R18S14-R16 PolarHBondContact O-N 2.83Å; S14-R16 VanDerWaalsContact O-N 3.15Å; R16-R18 PolarHBondContact O-N 3.17Å
17S65.4Low62.3Low114 Ų114144.5 Ų144.580%0.79777%0.771SS**  trans-50112.4171.7410000106.6P15P15-S17 PolarHBondContact O-N 2.89Å; P15-S17 VanDerWaalsContact O-N 3.12Å
18R72.1Confident62Low227 Ų227140.9 Ų140.986%0.85776%0.756SS**  trans-56.6129.9168.4-111.3179.9-94.1-1140.7104.6R16 L20R16-R18 PolarHBondContact O-N 3.17Å; R18-L20 PolarHBondContact O-N 2.81Å
19P67.8Low62Low116 Ų116143.3 Ų143.375%0.75376%0.755SS**  trans-47.8125.5168.2-22.331.2000106.4R21P19-R21 VanDerWaalsContact C-N 3.28Å; P19-R21 PolarHBondContact O-N 3.17Å
20L64.1Low62Low170 Ų170138.9 Ų138.989%0.8972%0.723SS**  trans-52.3105.6169.6-76.7155.8000104.6R18 P22R18-L20 PolarHBondContact O-N 2.81Å; L20-P22 VanDerWaalsContact O-CD 3.22Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; L20-P22 VanDerWaalsContact O-N 3.09Å
21R63.9Low62.4Low228 Ų228140.4 Ų140.486%0.8672%0.716SS**  trans-59.4120.4171.7-169.6176.7-125.3-121.71.1102.9P19 T23P19-R21 VanDerWaalsContact C-N 3.28Å; P19-R21 PolarHBondContact O-N 3.17Å; R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 3.4Å
22P59.6Low62.9Low111 Ų111141.4 Ų141.472%0.72171%0.706SS**  trans-55.5111.7167.4-1628.6000103.9L20 W24L20-P22 VanDerWaalsContact O-CD 3.22Å; L20-P22 WeakPolarHBondContact O-CD 3.39Å; L20-P22 VanDerWaalsContact O-N 3.09Å; P22-W24 PolarHBondContact O-N 3.24Å
23T57.7Low63.6Low135 Ų135133.4 Ų133.483%0.82868%0.679SS**  trans-64.480.715029.60000103.4R21 S25R21-T23 VanDerWaalsContact C-N 3.31Å; R21-T23 PolarHBondContact O-N 3.4Å; T23-S25 PolarHBondContact O-N 3.07Å
24W52.3Low64.3Low212 Ų212134.9 Ų134.980%0.80368%0.681SS**  trans-5285.7138.1131.3-77.7000102.6P22 P26P22-W24 PolarHBondContact O-N 3.24Å; W24-P26 HydrophobicContact CZ2-CB 4.45Å
25S55.4Low65.1Low72 Ų72130.6 Ų130.650%0.50365%0.651SS.*  trans-66.3127146.6-171.90000101.7T23T23-S25 PolarHBondContact O-N 3.07Å
26P57.7Low65.8Low61 Ų61128.9 Ų128.940%0.39664%0.639SS.*  trans-50.9159.915419.8-19.1000106.7W24 I28W24-P26 HydrophobicContact CZ2-CB 4.45Å; P26-I28 HydrophobicContact CG-CD1 4.19Å; P26-I28 HydrophobicContact CG-CG1 3.81Å; P26-I28 PolarHBondContact O-N 3.39Å
27D50.7Low66.3Low154 Ų154125.5 Ų125.582%0.82463%0.633SS**  trans-55.881.2163.5-89.1-44.5000107.9H29D27-H29 PolarHBondContact O-N 3.35Å
28I59.9Low66.6Low89 Ų89126.2 Ų126.246%0.45663%0.628SS.*  trans-78.694.6167.4-64.717700099P26 V30P26-I28 HydrophobicContact CG-CD1 4.19Å; P26-I28 HydrophobicContact CG-CG1 3.81Å; P26-I28 PolarHBondContact O-N 3.39Å; I28-V30 HydrophobicContact CB-CG2 4.34Å; I28-V30 HydrophobicContact CG2-CG2 3.63Å; I28-V30 PolarHBondContact O-N 2.85Å
29H56.4Low66.6Low158 Ų158122.5 Ų122.573%0.73162%0.615SS**  trans-54.788.9157.4-68.6-81.8000105.7D27 E31D27-H29 PolarHBondContact O-N 3.35Å; H29-E31 PolarHBondContact O-N 3.45Å
30V64.7Low66.9Low46 Ų46118.4 Ų118.428%0.27959%0.591SS.*  trans-71.792.8171.6170.10000104I28 Y32 T53I28-V30 HydrophobicContact CB-CG2 4.34Å; I28-V30 HydrophobicContact CG2-CG2 3.63Å; I28-V30 PolarHBondContact O-N 2.85Å; V30-Y32 HydrophobicContact CB-CE2 4.08Å; V30-Y32 HydrophobicContact CG1-CD1 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.1Å; V30-Y32 HydrophobicContact CG1-CE1 3.75Å; V30-Y32 HydrophobicContact CG1-CE2 3.66Å; V30-Y32 HydrophobicContact CG1-CG 4.35Å; V30-Y32 VanDerWaalsContact CG1-CZ 3.46Å; V30-Y32 WeakPolarHBondContact O-CD2 3.27Å; V30-Y32 WeakPolarHBondContact O-CE2 3.03Å; V30-Y32 PolarHBondContact O-N 3.05Å; V30-Y32 VanDerWaalsContact O-N 3.15Å; V30-T53 HydrophobicContact CB-CG2 4.43Å; V30-T53 HydrophobicContact CG1-CG2 3.32Å; V30-T53 HydrophobicContact CG2-CG2 4.47Å
31E68.5Low67.4Low119 Ų119114.2 Ų114.256%0.55658%0.581SS**  trans-67113.5172.4-163.466.5-150.400107H29 E33H29-E31 PolarHBondContact O-N 3.45Å; E31-E33 HydrophobicContact CG-CG 4.22Å
32Y74.1Confident68.3Low150 Ų150109.5 Ų109.559%0.58857%0.572SS**EExtended strand (participates in β ladder)trans-89.6112.6173.4-66.1-83.2000107.6V30 F51V30-Y32 HydrophobicContact CB-CE2 4.08Å; V30-Y32 HydrophobicContact CG1-CD1 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.1Å; V30-Y32 HydrophobicContact CG1-CE1 3.75Å; V30-Y32 HydrophobicContact CG1-CE2 3.66Å; V30-Y32 HydrophobicContact CG1-CG 4.35Å; V30-Y32 VanDerWaalsContact CG1-CZ 3.46Å; V30-Y32 WeakPolarHBondContact O-CD2 3.27Å; V30-Y32 WeakPolarHBondContact O-CE2 3.03Å; V30-Y32 PolarHBondContact O-N 3.05Å; V30-Y32 VanDerWaalsContact O-N 3.15Å; Y32-F51 AromaticContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CE2 4.07Å; Y32-F51 HydrophobicContact CD1-CG 4.35Å; Y32-F51 AromaticContact CE1-CD2 3.92Å; Y32-F51 HydrophobicContact CE1-CD2 3.92Å; Y32-F51 AromaticContact CE1-CE2 3.85Å; Y32-F51 HydrophobicContact CE1-CE2 3.85Å
33E77.4Confident69.7Low73 Ų73106.7 Ų106.734%0.34155%0.549SS..EExtended strand (participates in β ladder)trans-109.1146.6172.8-65.5179.7165.900109.7E31 R52E31-E33 HydrophobicContact CG-CG 4.22Å; E33-R52 HydrophobicContact CB-CG 3.77Å; E33-R52 PolarHBondContact N-O 3.39Å; E33-R52 WeakPolarHBondContact O-CG 3.19Å; E33-R52 PolarHBondContact O-N 3.35Å; E33-R52 IonicContact OE2-CZ 3.13Å; E33-R52 IonicContact OE2-NE 2.81Å; E33-R52 PolarHBondContact OE2-NE 3.1Å; E33-R52 IonicContact OE2-NH2 2.66Å; E33-R52 PolarHBondContact OE2-NH2 3.17Å
34N82.6Confident71.4Confident136 Ų136100.6 Ų100.673%0.72751%0.512SS*.EExtended strand (participates in β ladder)trans-67.5143.5172.5-76.23.3000110.3
35C83.7Confident73.3Confident16 Ų1693.9 Ų93.911%0.10849%0.491CS..PPolyproline II helixtrans-63150.5172.1-58.80000110.9A40 C50C35-A40 HydrophobicContact CB-CB 3.83Å; C35-C50 HydrophobicContact CB-CB 3.69Å; C35-C50 WeakPolarHBondContact CB-SG 3.35Å; C35-C50 WeakPolarHBondContact SG-CB 3.44Å; C35-C50 PolarHBondContact SG-O 2.97Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.44Å
36T83.1Confident75.1Confident78 Ų7893.3 Ų93.348%0.47948%0.482SS..PPolyproline II helixtrans-59.8139.4166.749.80000109.6D38 Y39 A40T36-D38 PolarHBondContact O-N 3.06Å; T36-Y39 PolarHBondContact O-N 3.27Å; T36-A40 PolarHBondContact O-N 3.18Å
37E74.8Confident76.6Confident171 Ų17196.4 Ų96.480%0.79950%0.496SS*.Hα-helixtrans-49.8-40.2-168.1-77-154157.700114.6Y39 A40 A41E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-A41 PolarHBondContact O-N 3Å; E37-A41 VanDerWaalsContact O-N 3.13Å
38D72.1Confident78.4Confident128 Ų12889.7 Ų89.768%0.68446%0.463SS*.Hα-helixtrans-59.1-42.9-179-59.9-34.3000112.4T36 L42T36-D38 PolarHBondContact O-N 3.06Å; D38-L42 WeakPolarHBondContact O-CD1 3.33Å
39Y73.1Confident79.8Confident149 Ų14990.3 Ų90.358%0.58447%0.466SS*.Hα-helixtrans-81.7-31177.6-76.6-83.1000112T36 E37 A41 F43T36-Y39 PolarHBondContact O-N 3.27Å; E37-Y39 VanDerWaalsContact C-N 3.33Å; E37-Y39 PolarHBondContact O-N 2.89Å; Y39-A41 PolarHBondContact O-N 3.45Å; Y39-F43 WeakPolarHBondContact O-CB 3.22Å; Y39-F43 PolarHBondContact O-N 2.87Å
40A72.5Confident81.4Confident30 Ų3083.2 Ų83.225%0.24843%0.434CS..Hα-helixtrans-62.1-45.6-177.700000112.1C35 T36 E37 C50C35-A40 HydrophobicContact CB-CB 3.83Å; T36-A40 PolarHBondContact O-N 3.18Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-C50 HydrophobicContact CB-CB 4.08Å
41A74.8Confident82.6Confident83 Ų8383.3 Ų83.369%0.68643%0.431SS*.Hα-helixtrans-79.2-26.2-176.400000113.7E37 Y39E37-A41 PolarHBondContact O-N 3Å; E37-A41 VanDerWaalsContact O-N 3.13Å; Y39-A41 PolarHBondContact O-N 3.45Å
42L83.6Confident83.4Confident128 Ų12881.3 Ų81.367%0.6742%0.418SS*.Hα-helixtrans-100-29.9-172.9-72.9165.4000113D38 R73D38-L42 WeakPolarHBondContact O-CD1 3.33Å; L42-R73 PolarHBondContact O-NH2 2.93Å
43F89.7Confident83.9Confident52 Ų5274.8 Ų74.823%0.22839%0.394CS..Hα-helixtrans-78.8-49.8-176.4-172.7-109.6000111.9Y39 I61 C63 R73Y39-F43 WeakPolarHBondContact O-CB 3.22Å; Y39-F43 PolarHBondContact O-N 2.87Å; F43-I61 HydrophobicContact CD1-CG2 3.84Å; F43-I61 HydrophobicContact CE1-CG2 3.96Å; F43-C63 WeakPolarHBondContact CD1-SG 3.44Å; F43-R73 HydrophobicContact CD2-CG 4.3Å; F43-R73 HydrophobicContact CE1-CG 4.22Å; F43-R73 HydrophobicContact CE2-CG 3.91Å; F43-R73 HydrophobicContact CZ-CG 3.87Å; F43-R73 WeakPolarHBondContact O-CB 3.49Å; F43-R73 WeakPolarHBondContact O-CG 3.32Å; F43-R73 PolarHBondContact O-NE 3.29Å; F43-R73 PolarHBondContact O-NH2 3.48Å
44C92Very high84.1Confident8 Ų876.5 Ų76.55%0.05440%0.4CS..SBendtrans-87122178.3-54.50000110.1G48 C50 C63C44-G48 VanDerWaalsContact CB-O 3.26Å; C44-G48 WeakPolarHBondContact CB-O 3.3Å; C44-C50 VanDerWaalsContact SG-CA 3.55Å; C44-C50 VanDerWaalsContact SG-CB 3.55Å; C44-C63 WeakPolarHBondContact CA-SG 3.15Å; C44-C63 HydrophobicContact CB-CB 3.85Å; C44-C63 WeakPolarHBondContact CB-SG 3.46Å; C44-C63 VanDerWaalsContact SG-CA 3.51Å; C44-C63 WeakPolarHBondContact SG-CB 3.26Å; C44-C63 CovalentContact SG-SG 2.03Å; C44-C63 PolarHBondContact SG-SG 3.47Å
45L92.5Very high83.9Confident70 Ų7073.6 Ų73.637%0.36638%0.384SS..  trans-89.4166.9177.9-59.1173.1000110.2D47 G48 R73 C74 E75L45-D47 PolarHBondContact O-N 3.18Å; L45-G48 PolarHBondContact O-N 3.27Å; L45-R73 WeakPolarHBondContact CB-O 3.38Å; L45-R73 PolarHBondContact N-O 3.48Å; L45-C74 WeakPolarHBondContact O-CB 3.34Å; L45-E75 HydrophobicContact CD1-CB 4.04Å
46N92.4Very high83.6Confident61 Ų6178.5 Ų78.533%0.32641%0.413SS..THydrogen-bonded Turntrans55.246.4170.2-54.7-55000114.7G48 W69 C74N46-G48 PolarHBondContact O-N 2.85Å; N46-W69 HydrophobicContact CB-CD2 3.67Å; N46-W69 HydrophobicContact CB-CE3 4.02Å; N46-W69 HydrophobicContact CB-CG 4.05Å; N46-W69 HydrophobicContact CB-CH2 4.38Å; N46-W69 HydrophobicContact CB-CZ2 4.05Å; N46-W69 HydrophobicContact CB-CZ3 4.37Å; N46-W69 WeakPolarHBondContact ND2-CZ3 3.39Å; N46-C74 PolarHBondContact ND2-O 3.43Å
47D89.4Confident83.3Confident126 Ų12681.5 Ų81.567%0.67443%0.426SS*.THydrogen-bonded Turntrans60.227-176-49.7-36.1000114.1L45 K66L45-D47 PolarHBondContact O-N 3.18Å; D47-K66 HydrophobicContact CB-CD 4.22Å; D47-K66 IonicContact OD2-NZ 2.97Å; D47-K66 PolarHBondContact OD2-NZ 2.82Å
48G89.3Confident83.5Confident13 Ų1377.6 Ų77.613%0.13441%0.414CS..PPolyproline II helixtrans-67.8141.9173.200000112.3C44 L45 N46 E64C44-G48 VanDerWaalsContact CB-O 3.26Å; C44-G48 WeakPolarHBondContact CB-O 3.3Å; L45-G48 PolarHBondContact O-N 3.27Å; N46-G48 PolarHBondContact O-N 2.85Å; G48-E64 CarbonylContact C-O 3.5Å; G48-E64 VanDerWaalsContact CA-O 3.29Å; G48-E64 WeakPolarHBondContact CA-O 3.4Å
49I89.6Confident84Confident101 Ų10176.8 Ų76.852%0.51841%0.405SS..EExtended strand (participates in β ladder)trans-90.9123.7179.8-57.3174.4000109C63 E64I49-C63 WeakPolarHBondContact O-CA 3.36Å; I49-E64 HydrophobicContact CB-CB 4.29Å; I49-E64 PolarHBondContact N-O 3.16Å; I49-E64 PolarHBondContact O-N 2.79Å
50C90.7Very high84.6Confident9 Ų973.4 Ų73.46%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-87.7125.5179.3-169.50000111.4C35 A40 C44C35-C50 HydrophobicContact CB-CB 3.69Å; C35-C50 WeakPolarHBondContact CB-SG 3.35Å; C35-C50 WeakPolarHBondContact SG-CB 3.44Å; C35-C50 PolarHBondContact SG-O 2.97Å; C35-C50 CovalentContact SG-SG 2.04Å; C35-C50 PolarHBondContact SG-SG 3.44Å; A40-C50 HydrophobicContact CB-CB 4.08Å; C44-C50 VanDerWaalsContact SG-CA 3.55Å; C44-C50 VanDerWaalsContact SG-CB 3.55Å
51F88.7Confident85.3Confident49 Ų4975.6 Ų75.622%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-128.2145.9171.864.4-89000111.1Y32 S62 E64Y32-F51 AromaticContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CD2 3.64Å; Y32-F51 HydrophobicContact CD1-CE2 4.07Å; Y32-F51 HydrophobicContact CD1-CG 4.35Å; Y32-F51 AromaticContact CE1-CD2 3.92Å; Y32-F51 HydrophobicContact CE1-CD2 3.92Å; Y32-F51 AromaticContact CE1-CE2 3.85Å; Y32-F51 HydrophobicContact CE1-CE2 3.85Å; F51-S62 VanDerWaalsContact CE2-CB 3.49Å; F51-S62 PolarHBondContact N-O 3.31Å; F51-S62 PolarHBondContact O-N 2.88Å; F51-S62 VanDerWaalsContact O-O 3.11Å; F51-E64 HydrophobicContact CD1-CB 4.28Å; F51-E64 HydrophobicContact CE1-CB 4.01Å
52R86.3Confident86Confident76 Ų7673.7 Ų73.729%0.28738%0.384SS..EExtended strand (participates in β ladder)trans-112.6134.4171.773.2-178.7-174.7-162.6-2.3110E33 F59 I60 I61E33-R52 HydrophobicContact CB-CG 3.77Å; E33-R52 PolarHBondContact N-O 3.39Å; E33-R52 WeakPolarHBondContact O-CG 3.19Å; E33-R52 PolarHBondContact O-N 3.35Å; E33-R52 IonicContact OE2-CZ 3.13Å; E33-R52 IonicContact OE2-NE 2.81Å; E33-R52 PolarHBondContact OE2-NE 3.1Å; E33-R52 IonicContact OE2-NH2 2.66Å; E33-R52 PolarHBondContact OE2-NH2 3.17Å; R52-F59 HydrophobicContact CG-CD1 4.49Å; R52-I60 CarbonylContact C-O 3.41Å; R52-I60 WeakPolarHBondContact CA-O 3.03Å; R52-I61 HydrophobicContact CB-CG1 4.33Å
53T84.3Confident86.3Confident14 Ų1468.5 Ų68.59%0.08636%0.359CS..EExtended strand (participates in β ladder)trans-111.9129.5177.8-71.70000108.9V30 I55 F59 I60V30-T53 HydrophobicContact CB-CG2 4.43Å; V30-T53 HydrophobicContact CG1-CG2 3.32Å; V30-T53 HydrophobicContact CG2-CG2 4.47Å; T53-I55 HydrophobicContact CG2-CD1 4.25Å; T53-I55 HydrophobicContact CG2-CG1 3.73Å; T53-F59 WeakPolarHBondContact O-CA 3.41Å; T53-I60 PolarHBondContact N-O 2.98Å; T53-I60 PolarHBondContact O-N 3.33Å
54K81.6Confident86.4Confident109 Ų10971.8 Ų71.847%0.47438%0.375SS..EExtended strand (participates in β ladder)trans-83.6114.1173.2-169.5179.6178.5-177.50110.2F59K54-F59 HydrophobicContact CB-CD1 4.15Å; K54-F59 HydrophobicContact CB-CE1 4.03Å; K54-F59 HydrophobicContact CD-CE1 4.23Å; K54-F59 HydrophobicContact CG-CD1 4.38Å; K54-F59 HydrophobicContact CG-CE1 4.03Å
55I78.3Confident86.4Confident74 Ų7473.3 Ų73.338%0.37939%0.385SS..EExtended strand (participates in β ladder)trans-113.1112172.2-52.4-166.3000108.7T53 D57 T58 I60T53-I55 HydrophobicContact CG2-CD1 4.25Å; T53-I55 HydrophobicContact CG2-CG1 3.73Å; I55-D57 PolarHBondContact O-N 2.89Å; I55-T58 PolarHBondContact N-O 3.03Å; I55-T58 PolarHBondContact O-N 2.88Å; I55-T58 PolarHBondContact O-OG1 3.36Å; I55-T58 VanDerWaalsContact O-OG1 3.13Å; I55-I60 HydrophobicContact CD1-CD1 3.47Å; I55-I60 VanDerWaalsContact CD1-CD1 3.47Å; I55-I60 HydrophobicContact CD1-CG1 4.23Å; I55-I60 HydrophobicContact CG1-CD1 4.1Å; I55-I60 HydrophobicContact CG1-CG1 4.38Å
56V76.9Confident86.3Confident119 Ų11974.8 Ų74.872%0.72139%0.389SS*.THydrogen-bonded Turntrans57.9-94.1-176.6-171.20000110.5
57D76.3Confident86.1Confident142 Ų14277.8 Ų77.876%0.75941%0.411SS*.THydrogen-bonded Turntrans-125.810.3-178.8-63.8-47.5000112.8I55I55-D57 PolarHBondContact O-N 2.89Å
58T80.5Confident86Confident88 Ų8872.9 Ų72.954%0.5439%0.39SS..EExtended strand (participates in β ladder)trans-123.7146.9-17958.80000111.5I55I55-T58 PolarHBondContact N-O 3.03Å; I55-T58 PolarHBondContact O-N 2.88Å; I55-T58 PolarHBondContact O-OG1 3.36Å; I55-T58 VanDerWaalsContact O-OG1 3.13Å
59F81.4Confident86.1Confident112 Ų11275.9 Ų75.949%0.49140%0.397SS..EExtended strand (participates in β ladder)trans-96.9129.2173.5-61.1-82.7000109.6R52 T53 K54R52-F59 HydrophobicContact CG-CD1 4.49Å; T53-F59 WeakPolarHBondContact O-CA 3.41Å; K54-F59 HydrophobicContact CB-CD1 4.15Å; K54-F59 HydrophobicContact CB-CE1 4.03Å; K54-F59 HydrophobicContact CD-CE1 4.23Å; K54-F59 HydrophobicContact CG-CD1 4.38Å; K54-F59 HydrophobicContact CG-CE1 4.03Å
60I85.8Confident86.2Confident77 Ų7776.7 Ų76.740%0.39540%0.395SS..EExtended strand (participates in β ladder)trans-105.5125.3171.1-57.5-169.5000107.8R52 T53 I55R52-I60 CarbonylContact C-O 3.41Å; R52-I60 WeakPolarHBondContact CA-O 3.03Å; T53-I60 PolarHBondContact N-O 2.98Å; T53-I60 PolarHBondContact O-N 3.33Å; I55-I60 HydrophobicContact CD1-CD1 3.47Å; I55-I60 VanDerWaalsContact CD1-CD1 3.47Å; I55-I60 HydrophobicContact CD1-CG1 4.23Å; I55-I60 HydrophobicContact CG1-CD1 4.1Å; I55-I60 HydrophobicContact CG1-CG1 4.38Å
61I86.7Confident86.2Confident76 Ų7677.8 Ų77.839%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-96.7129.7177.5-59.9171.3000108.5F43 R52F43-I61 HydrophobicContact CD1-CG2 3.84Å; F43-I61 HydrophobicContact CE1-CG2 3.96Å; R52-I61 HydrophobicContact CB-CG1 4.33Å
62S89.2Confident86.3Confident43 Ų4384.5 Ų84.530%0.30143%0.432SS..EExtended strand (participates in β ladder)trans-136157.2-179.9-680000110.4F51F51-S62 VanDerWaalsContact CE2-CB 3.49Å; F51-S62 PolarHBondContact N-O 3.31Å; F51-S62 PolarHBondContact O-N 2.88Å; F51-S62 VanDerWaalsContact O-O 3.11Å
63C91.5Very high86.6Confident20 Ų2084.9 Ų84.914%0.13543%0.433CS..EExtended strand (participates in β ladder)trans-113132.8176.9-65.70000110.4F43 C44 I49F43-C63 WeakPolarHBondContact CD1-SG 3.44Å; C44-C63 WeakPolarHBondContact CA-SG 3.15Å; C44-C63 HydrophobicContact CB-CB 3.85Å; C44-C63 WeakPolarHBondContact CB-SG 3.46Å; C44-C63 VanDerWaalsContact SG-CA 3.51Å; C44-C63 WeakPolarHBondContact SG-CB 3.26Å; C44-C63 CovalentContact SG-SG 2.03Å; C44-C63 PolarHBondContact SG-SG 3.47Å; I49-C63 WeakPolarHBondContact O-CA 3.36Å
64E91.4Very high87Confident120 Ų12084.2 Ų84.256%0.56143%0.429SS*.EExtended strand (participates in β ladder)trans-91.9119.2166-174.9177.4-176.300108.9G48 I49 F51G48-E64 CarbonylContact C-O 3.5Å; G48-E64 VanDerWaalsContact CA-O 3.29Å; G48-E64 WeakPolarHBondContact CA-O 3.4Å; I49-E64 HydrophobicContact CB-CB 4.29Å; I49-E64 PolarHBondContact N-O 3.16Å; I49-E64 PolarHBondContact O-N 2.79Å; F51-E64 HydrophobicContact CD1-CB 4.28Å; F51-E64 HydrophobicContact CE1-CB 4.01Å
65C91.9Very high87.5Confident40 Ų4082 Ų8227%0.2742%0.421SS..PPolyproline II helixtrans-90141.5-173.4-57.80000112.5W69 C74C65-W69 HydrophobicContact CB-CB 4.37Å; C65-W69 VanDerWaalsContact CB-O 3.25Å; C65-W69 WeakPolarHBondContact CB-O 3.37Å; C65-C74 WeakPolarHBondContact CA-SG 3.31Å; C65-C74 HydrophobicContact CB-CB 3.76Å; C65-C74 WeakPolarHBondContact CB-SG 3.29Å; C65-C74 WeakPolarHBondContact SG-CA 3.48Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.04Å; C65-C74 PolarHBondContact SG-SG 3.41Å
66K90.6Very high88.1Confident102 Ų10284.4 Ų84.444%0.44343%0.426SS..PPolyproline II helixtrans-61.9148.9170-168.3171.8-173.7172.30110.4D47 G68 W69D47-K66 HydrophobicContact CB-CD 4.22Å; D47-K66 IonicContact OD2-NZ 2.97Å; D47-K66 PolarHBondContact OD2-NZ 2.82Å; K66-G68 PolarHBondContact O-N 2.82Å; K66-W69 PolarHBondContact O-N 3.44Å
67P88.5Confident88.7Confident124 Ų12483.5 Ų83.581%0.80541%0.414SS*.THydrogen-bonded Turntrans-50.7131.9176.6-2935.6000112.3
68G87Confident89Confident22 Ų2280.2 Ų80.223%0.22740%0.396CS..THydrogen-bonded Turntrans86.73.7-176.300000115.2K66 Q77 D78K66-G68 PolarHBondContact O-N 2.82Å; G68-Q77 CarbonylContact O-C 3.54Å; G68-Q77 WeakPolarHBondContact O-CA 3.36Å; G68-Q77 WeakPolarHBondContact O-CG 3.46Å; G68-D78 PolarHBondContact O-N 2.78Å
69W91.7Very high88.7Confident76 Ų7680.7 Ų80.729%0.28839%0.394SS..EExtended strand (participates in β ladder)trans-121.9145170.3-64.190.8000111.1N46 C65 K66 C74 Y76 Q77N46-W69 HydrophobicContact CB-CD2 3.67Å; N46-W69 HydrophobicContact CB-CE3 4.02Å; N46-W69 HydrophobicContact CB-CG 4.05Å; N46-W69 HydrophobicContact CB-CH2 4.38Å; N46-W69 HydrophobicContact CB-CZ2 4.05Å; N46-W69 HydrophobicContact CB-CZ3 4.37Å; N46-W69 WeakPolarHBondContact ND2-CZ3 3.39Å; C65-W69 HydrophobicContact CB-CB 4.37Å; C65-W69 VanDerWaalsContact CB-O 3.25Å; C65-W69 WeakPolarHBondContact CB-O 3.37Å; K66-W69 PolarHBondContact O-N 3.44Å; W69-C74 HydrophobicContact CB-CB 4.23Å; W69-Y76 CarbonylContact C-O 3.58Å; W69-Y76 VanDerWaalsContact CA-O 3.25Å; W69-Y76 WeakPolarHBondContact CA-O 3.31Å; W69-Q77 HydrophobicContact CD2-CB 4.49Å; W69-Q77 HydrophobicContact CE3-CB 4.06Å; W69-Q77 HydrophobicContact CH2-CB 4.3Å; W69-Q77 HydrophobicContact CZ3-CB 3.94Å
70Y91Very high87.9Confident118 Ų11876.9 Ų76.946%0.46339%0.387SS..EExtended strand (participates in β ladder)trans-144.2172.2178.173.4-84.6000110.8C74 E75 Y76 Q77 D78Y70-C74 CarbonylContact O-C 3.6Å; Y70-C74 WeakPolarHBondContact O-CA 3.47Å; Y70-E75 PolarHBondContact O-N 3.29Å; Y70-Y76 WeakPolarHBondContact CD1-O 3.36Å; Y70-Y76 HydrophobicContact CD2-CD2 4.14Å; Y70-Y76 HydrophobicContact CD2-CG 4.45Å; Y70-Y76 VanDerWaalsContact CE1-CB 3.47Å; Y70-Y76 AromaticContact CE2-CD2 3.86Å; Y70-Y76 HydrophobicContact CE2-CD2 3.86Å; Y70-Y76 AromaticContact CE2-CG 3.95Å; Y70-Y76 HydrophobicContact CE2-CG 3.95Å; Y70-Y76 PolarHBondContact N-O 3.23Å; Y70-Y76 WeakPolarHBondContact O-CB 3.12Å; Y70-Y76 PolarHBondContact O-N 2.89Å; Y70-Y76 VanDerWaalsContact O-O 3.13Å; Y70-Q77 VanDerWaalsContact CE1-C 3.48Å; Y70-Q77 WeakPolarHBondContact CE1-O 2.95Å; Y70-D78 HydrophobicContact CD1-CB 3.81Å; Y70-D78 HydrophobicContact CE1-CB 4.26Å
71G91.2Very high86.6Confident33 Ų3377.1 Ų77.134%0.3439%0.389SS..SBendtrans112.4174.3-174.900000111.9R73 E75G71-R73 PolarHBondContact O-N 2.9Å; G71-E75 WeakPolarHBondContact CA-OE2 3.3Å
72R91Very high85.1Confident190 Ų19081.1 Ų81.172%0.71740%0.399SS*.THydrogen-bonded Turntrans-70.1-26.5-177-175.7174.963172-0.1111.9E75R72-E75 PolarHBondContact N-OE2 3.44Å; R72-E75 VanDerWaalsContact N-OE2 3.14Å
73R92.4Very high83.4Confident83 Ų8387.7 Ų87.731%0.31342%0.419SS..THydrogen-bonded Turntrans-123.316.6-178.3-62.6179.667.4-170.6-0111.2L42 F43 L45 G71 E75L42-R73 PolarHBondContact O-NH2 2.93Å; F43-R73 HydrophobicContact CD2-CG 4.3Å; F43-R73 HydrophobicContact CE1-CG 4.22Å; F43-R73 HydrophobicContact CE2-CG 3.91Å; F43-R73 HydrophobicContact CZ-CG 3.87Å; F43-R73 WeakPolarHBondContact O-CB 3.49Å; F43-R73 WeakPolarHBondContact O-CG 3.32Å; F43-R73 PolarHBondContact O-NE 3.29Å; F43-R73 PolarHBondContact O-NH2 3.48Å; L45-R73 WeakPolarHBondContact CB-O 3.38Å; L45-R73 PolarHBondContact N-O 3.48Å; G71-R73 PolarHBondContact O-N 2.9Å; R73-E75 VanDerWaalsContact C-OE2 3.31Å; R73-E75 VanDerWaalsContact CA-OE2 3.32Å; R73-E75 WeakPolarHBondContact CA-OE2 3.29Å; R73-E75 PolarHBondContact N-OE2 3.31Å; R73-E75 PolarHBondContact O-N 3.45Å
74C92.3Very high81.7Confident0 Ų092.4 Ų92.40%044%0.442CS..SBendtrans58.933-174.1-44.80000113.2L45 N46 C65 W69 Y70L45-C74 WeakPolarHBondContact O-CB 3.34Å; N46-C74 PolarHBondContact ND2-O 3.43Å; C65-C74 WeakPolarHBondContact CA-SG 3.31Å; C65-C74 HydrophobicContact CB-CB 3.76Å; C65-C74 WeakPolarHBondContact CB-SG 3.29Å; C65-C74 WeakPolarHBondContact SG-CA 3.48Å; C65-C74 WeakPolarHBondContact SG-CB 3.31Å; C65-C74 CovalentContact SG-SG 2.04Å; C65-C74 PolarHBondContact SG-SG 3.41Å; W69-C74 HydrophobicContact CB-CB 4.23Å; Y70-C74 CarbonylContact O-C 3.6Å; Y70-C74 WeakPolarHBondContact O-CA 3.47Å
75E92.1Very high79.9Confident64 Ų6489.4 Ų89.430%0.29943%0.433SS..  trans-79.3-19.6-173.867.1-88.7-146.700114.1L45 Y70 G71 R72 R73L45-E75 HydrophobicContact CD1-CB 4.04Å; Y70-E75 PolarHBondContact O-N 3.29Å; G71-E75 WeakPolarHBondContact CA-OE2 3.3Å; R72-E75 PolarHBondContact N-OE2 3.44Å; R72-E75 VanDerWaalsContact N-OE2 3.14Å; R73-E75 VanDerWaalsContact C-OE2 3.31Å; R73-E75 VanDerWaalsContact CA-OE2 3.32Å; R73-E75 WeakPolarHBondContact CA-OE2 3.29Å; R73-E75 PolarHBondContact N-OE2 3.31Å; R73-E75 PolarHBondContact O-N 3.45Å
76Y91.9Very high78.1Confident124 Ų12491.1 Ų91.149%0.48644%0.442SS..EExtended strand (participates in β ladder)trans-107.4140.6-177.2-54.3-65.8000110.9W69 Y70W69-Y76 CarbonylContact C-O 3.58Å; W69-Y76 VanDerWaalsContact CA-O 3.25Å; W69-Y76 WeakPolarHBondContact CA-O 3.31Å; Y70-Y76 WeakPolarHBondContact CD1-O 3.36Å; Y70-Y76 HydrophobicContact CD2-CD2 4.14Å; Y70-Y76 HydrophobicContact CD2-CG 4.45Å; Y70-Y76 VanDerWaalsContact CE1-CB 3.47Å; Y70-Y76 AromaticContact CE2-CD2 3.86Å; Y70-Y76 HydrophobicContact CE2-CD2 3.86Å; Y70-Y76 AromaticContact CE2-CG 3.95Å; Y70-Y76 HydrophobicContact CE2-CG 3.95Å; Y70-Y76 PolarHBondContact N-O 3.23Å; Y70-Y76 WeakPolarHBondContact O-CB 3.12Å; Y70-Y76 PolarHBondContact O-N 2.89Å; Y70-Y76 VanDerWaalsContact O-O 3.13Å
77Q88.4Confident76.3Confident100 Ų10093 Ų9347%0.46745%0.452SS..EExtended strand (participates in β ladder)trans-91.2127.2174.1-170.4176.734.900109.6G68 W69 Y70 I79G68-Q77 CarbonylContact O-C 3.54Å; G68-Q77 WeakPolarHBondContact O-CA 3.36Å; G68-Q77 WeakPolarHBondContact O-CG 3.46Å; W69-Q77 HydrophobicContact CD2-CB 4.49Å; W69-Q77 HydrophobicContact CE3-CB 4.06Å; W69-Q77 HydrophobicContact CH2-CB 4.3Å; W69-Q77 HydrophobicContact CZ3-CB 3.94Å; Y70-Q77 VanDerWaalsContact CE1-C 3.48Å; Y70-Q77 WeakPolarHBondContact CE1-O 2.95Å; Q77-I79 WeakPolarHBondContact O-CG1 3.14Å; Q77-I79 PolarHBondContact O-N 2.99Å; Q77-I79 VanDerWaalsContact O-N 3.09Å
78D82Confident74.5Confident73 Ų7394.1 Ų94.139%0.3945%0.447SS..  trans-70.6104.3175.1-164.2-8.8000109.5G68 Y70 G80G68-D78 PolarHBondContact O-N 2.78Å; Y70-D78 HydrophobicContact CD1-CB 3.81Å; Y70-D78 HydrophobicContact CE1-CB 4.26Å; D78-G80 WeakPolarHBondContact OD1-CA 3.36Å; D78-G80 PolarHBondContact OD1-N 3.18Å
79I74.6Confident72.9Confident97 Ų97102.3 Ų102.350%0.49747%0.471SS..  trans-82.2-4.8176.6-40.3-179.4000110Q77 D81 R82Q77-I79 WeakPolarHBondContact O-CG1 3.14Å; Q77-I79 PolarHBondContact O-N 2.99Å; Q77-I79 VanDerWaalsContact O-N 3.09Å; I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.46Å; I79-R82 HydrophobicContact CG2-CG 4.3Å; I79-R82 WeakPolarHBondContact O-CB 3.06Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-R82 VanDerWaalsContact O-N 3.09Å
80G65.5Low71.1Confident32 Ų32102.3 Ų102.333%0.3348%0.479SS..G310 helixtrans-63.7-35178.100000112.9D78 R82 Y83D78-G80 WeakPolarHBondContact OD1-CA 3.36Å; D78-G80 PolarHBondContact OD1-N 3.18Å; G80-R82 PolarHBondContact O-N 2.9Å; G80-R82 VanDerWaalsContact O-N 3.11Å; G80-Y83 PolarHBondContact O-N 3.14Å
81D57.9Low69.3Low83 Ų83103.1 Ų103.144%0.44449%0.487SS..G310 helixtrans-73.86.7173.8-82.3-12000113.6I79 P85I79-D81 VanDerWaalsContact C-N 3.31Å; I79-D81 PolarHBondContact O-N 3.46Å; D81-P85 WeakPolarHBondContact O-CD 3.08Å; D81-P85 WeakPolarHBondContact O-CG 3.36Å
82R55.9Low67.5Low160 Ų160106.7 Ų106.760%0.60450%0.502SS*.G310 helixtrans-83.5-14.6162.4-70.2-171.2179.8161.51.3112.7I79 G80 V86I79-R82 HydrophobicContact CG2-CG 4.3Å; I79-R82 WeakPolarHBondContact O-CB 3.06Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-R82 VanDerWaalsContact O-N 3.09Å; G80-R82 PolarHBondContact O-N 2.9Å; G80-R82 VanDerWaalsContact O-N 3.11Å; R82-V86 WeakPolarHBondContact O-CG2 3.39Å
83Y52.1Low65.9Low181 Ų181100.6 Ų100.671%0.7149%0.492SS*.THydrogen-bonded Turntrans-93.8-29.6178.6-71-84.4000113.2G80 V86G80-Y83 PolarHBondContact O-N 3.14Å; Y83-V86 PolarHBondContact O-N 3.29Å
84L56.1Low64.4Low119 Ų119100.5 Ų100.562%0.62350%0.504SS*.Hα-helixtrans-68.7-44.2175.7-83.587.4000114.8V86 Q87L84-V86 VanDerWaalsContact C-N 3.26Å; L84-V86 PolarHBondContact O-N 3.46Å; L84-Q87 PolarHBondContact O-N 2.95Å
85P54Low62.7Low57 Ų57106.3 Ų106.337%0.3753%0.534SS..Hα-helixtrans-79.4-9.5176.332.4-35.2000112.5D81 Q87 R89D81-P85 WeakPolarHBondContact O-CD 3.08Å; D81-P85 WeakPolarHBondContact O-CG 3.36Å; P85-Q87 VanDerWaalsContact C-N 3.34Å; P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 WeakPolarHBondContact O-CG 3.41Å; P85-R89 PolarHBondContact O-N 3.02Å
86V53.9Low61.2Low76 Ų76106.4 Ų106.446%0.46155%0.546SS..Hα-helixtrans-66.4-41.4169.4163.60000109.5R82 Y83 L84 R89 V90R82-V86 WeakPolarHBondContact O-CG2 3.39Å; Y83-V86 PolarHBondContact O-N 3.29Å; L84-V86 VanDerWaalsContact C-N 3.26Å; L84-V86 PolarHBondContact O-N 3.46Å; V86-R89 PolarHBondContact O-N 3.02Å; V86-V90 HydrophobicContact CG1-CG1 4.4Å; V86-V90 WeakPolarHBondContact O-CG1 3.39Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.29Å
87Q52.7Low59.9Low141 Ų141102.2 Ų102.266%0.65954%0.54SS*.Hα-helixtrans-60.6-45.7174.5-69.4-95.9-39.600111.5L84 P85 R89 V90 E91L84-Q87 PolarHBondContact O-N 2.95Å; P85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-R89 PolarHBondContact O-N 3.26Å; Q87-V90 WeakPolarHBondContact O-CG2 3.46Å; Q87-V90 PolarHBondContact O-N 3.03Å; Q87-E91 PolarHBondContact O-N 3.41Å
88Q51.9Low59.3Low148 Ų148101.1 Ų101.169%0.69254%0.544SS*.Hα-helixtrans-72.5-29.6179.9-160159.4-40.400113.3V92Q88-V92 WeakPolarHBondContact O-CG2 3.46Å
89R52Low59.4Low194 Ų194102.9 Ų102.973%0.73255%0.552SS**Hα-helixtrans-76.1-29.5171.3-75.4-172.8-165.8-107.72.7113P85 V86 Q87 A93P85-R89 WeakPolarHBondContact O-CB 3.5Å; P85-R89 WeakPolarHBondContact O-CG 3.41Å; P85-R89 PolarHBondContact O-N 3.02Å; V86-R89 PolarHBondContact O-N 3.02Å; Q87-R89 PolarHBondContact O-N 3.26Å; R89-A93 WeakPolarHBondContact O-CB 2.74Å; R89-A93 PolarHBondContact O-N 3.32Å
90V54.6Low60Low75 Ų75102.1 Ų102.146%0.45555%0.552SS.*Hα-helixtrans-75.7-26.3176.2-64.90000112.7V86 Q87 S94V86-V90 HydrophobicContact CG1-CG1 4.4Å; V86-V90 WeakPolarHBondContact O-CG1 3.39Å; V86-V90 VanDerWaalsContact O-CG2 3.31Å; V86-V90 WeakPolarHBondContact O-CG2 3.35Å; V86-V90 PolarHBondContact O-N 3.29Å; Q87-V90 WeakPolarHBondContact O-CG2 3.46Å; Q87-V90 PolarHBondContact O-N 3.03Å; V90-S94 WeakPolarHBondContact O-CA 2.99Å; V90-S94 WeakPolarHBondContact O-CB 3.36Å; V90-S94 PolarHBondContact O-N 3.02Å
91E54.1Low61.1Low135 Ų135105 Ų10563%0.63156%0.564SS**Hα-helixtrans-67.3-43.1173.5-76.3-173.8152.800112.2Q87 I95Q87-E91 PolarHBondContact O-N 3.41Å; E91-I95 WeakPolarHBondContact O-CD1 3.48Å; E91-I95 WeakPolarHBondContact O-CG1 3.32Å
92V53Low62.7Low108 Ų108106 Ų10666%0.65557%0.568SS**Hα-helixtrans-77.5-26.2174.9-99.10000113.6Q88Q88-V92 WeakPolarHBondContact O-CG2 3.46Å
93A57.3Low64.5Low63 Ų63102.6 Ų102.652%0.52156%0.561SS.*Hα-helixtrans-78.7-29.6173.100000113R89 A96 G97R89-A93 WeakPolarHBondContact O-CB 2.74Å; R89-A93 PolarHBondContact O-N 3.32Å; A93-A96 PolarHBondContact O-N 3.49Å; A93-G97 PolarHBondContact O-N 3.05Å
94S59.6Low66.4Low80 Ų8098.8 Ų98.856%0.55956%0.556SS**Hα-helixtrans-65.9-39.6177.6170.30000112V90 A96 G97 S98V90-S94 WeakPolarHBondContact O-CA 2.99Å; V90-S94 WeakPolarHBondContact O-CB 3.36Å; V90-S94 PolarHBondContact O-N 3.02Å; S94-A96 PolarHBondContact O-N 2.88Å; S94-G97 PolarHBondContact O-N 3.05Å; S94-S98 PolarHBondContact O-N 2.99Å
95I56.8Low68.3Low123 Ų12396.8 Ų96.863%0.63155%0.549SS*.Hα-helixtrans-71.4-31.3-179.5-62.8167000111.6E91E91-I95 WeakPolarHBondContact O-CD1 3.48Å; E91-I95 WeakPolarHBondContact O-CG1 3.32Å
96A60.1Low70.3Confident66 Ų6699 Ų9955%0.54556%0.556SS.*Hα-helixtrans-74.1-30.2176.900000113.1A93 S94A93-A96 PolarHBondContact O-N 3.49Å; S94-A96 PolarHBondContact O-N 2.88Å
97G66Low72.3Confident35 Ų3599.1 Ų99.136%0.36156%0.557SS.*Hα-helixtrans-76.1-39.2-17900000113.9A93 S94 T100 V101A93-G97 PolarHBondContact O-N 3.05Å; S94-G97 PolarHBondContact O-N 3.05Å; G97-T100 PolarHBondContact O-OG1 3.38Å; G97-V101 WeakPolarHBondContact O-CG2 3.1Å
98S74.4Confident74.4Confident78 Ų7899.4 Ų99.455%0.54556%0.556SS.*Hα-helixtrans-69.8-40.1-172.9670000113.1S94 T100 L102S94-S98 PolarHBondContact O-N 2.99Å; S98-T100 PolarHBondContact O-N 3.36Å; S98-L102 PolarHBondContact O-N 3.2Å; S98-L102 VanDerWaalsContact O-N 3.14Å
99L85.5Confident76.6Confident109 Ų10995.7 Ų95.757%0.57154%0.544SS*.Hα-helixtrans-64.9-42-178.1-167.382.1000111.8L102 I103L99-L102 PolarHBondContact O-N 2.81Å; L99-I103 HydrophobicContact CD2-CD1 4.23Å; L99-I103 HydrophobicContact CG-CD1 4Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.14Å
100T86.9Confident78.7Confident81 Ų8189.4 Ų89.450%0.49753%0.529SS..Hα-helixtrans-65.6-42.8-177.756.70000111.8G97 S98 I103 V104G97-T100 PolarHBondContact O-OG1 3.38Å; S98-T100 PolarHBondContact O-N 3.36Å; T100-I103 PolarHBondContact O-N 3.4Å; T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å
101V87.8Confident80.7Confident94 Ų9489.1 Ų89.157%0.5753%0.528SS*.Hα-helixtrans-64-42.6176.6177.80000111G97 I103 V104 V105G97-V101 WeakPolarHBondContact O-CG2 3.1Å; V101-I103 PolarHBondContact O-N 3.03Å; V101-V104 PolarHBondContact O-N 3.48Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.38Å
102L91.4Very high82.7Confident103 Ų10386.2 Ų86.254%0.53952%0.519SS..Hα-helixtrans-60.5-45177.5-177.463.2000111.8S98 L99 V104 V105 I106S98-L102 PolarHBondContact O-N 3.2Å; S98-L102 VanDerWaalsContact O-N 3.14Å; L99-L102 PolarHBondContact O-N 2.81Å; L102-V104 PolarHBondContact O-N 3.33Å; L102-V105 PolarHBondContact O-N 2.95Å; L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.25Å; L102-I106 PolarHBondContact O-N 3.11Å
103I93.4Very high84.7Confident89 Ų8984.9 Ų84.946%0.45651%0.508SS..Hα-helixtrans-61.4-44.9177.5-67.8165.7000110.7L99 T100 V101 V105 I106 V107L99-I103 HydrophobicContact CD2-CD1 4.23Å; L99-I103 HydrophobicContact CG-CD1 4Å; L99-I103 VanDerWaalsContact O-CG1 3.29Å; L99-I103 WeakPolarHBondContact O-CG1 3.25Å; L99-I103 PolarHBondContact O-N 3.14Å; T100-I103 PolarHBondContact O-N 3.4Å; V101-I103 PolarHBondContact O-N 3.03Å; I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 PolarHBondContact O-N 3.3Å; I103-I106 PolarHBondContact O-N 3.38Å; I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.33Å; I103-V107 PolarHBondContact O-N 3.37Å
104V94Very high86.6Confident100 Ų10089 Ų8961%0.60651%0.511SS*.Hα-helixtrans-60.9-41.9178.7171.60000111.5T100 V101 L102 V107 F108T100-V104 VanDerWaalsContact O-CG2 3.31Å; T100-V104 WeakPolarHBondContact O-CG2 3.43Å; T100-V104 PolarHBondContact O-N 3.49Å; V101-V104 PolarHBondContact O-N 3.48Å; L102-V104 PolarHBondContact O-N 3.33Å; V104-V107 PolarHBondContact O-N 3.47Å; V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 2.89Å
105V95.5Very high88.3Confident78 Ų7888.9 Ų88.947%0.47350%0.504SS..Hα-helixtrans-64.2-43.9176.9172.60000111.3V101 L102 I103 V107 F108 V109V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.38Å; L102-V105 PolarHBondContact O-N 2.95Å; I103-V105 VanDerWaalsContact C-N 3.33Å; I103-V105 PolarHBondContact O-N 3.3Å; V105-V107 PolarHBondContact O-N 3.03Å; V105-F108 PolarHBondContact O-N 3.5Å; V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.42Å
106I96Very high90.1Very high103 Ų10389.1 Ų89.153%0.52850%0.497SS..Hα-helixtrans-62.3-44.4178-68167.1000110.9L102 I103 V109 S110L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CG1 3.25Å; L102-I106 PolarHBondContact O-N 3.11Å; I103-I106 PolarHBondContact O-N 3.38Å; I106-V109 PolarHBondContact O-N 3.17Å; I106-S110 WeakPolarHBondContact O-CB 3.02Å; I106-S110 PolarHBondContact O-N 3.48Å; I106-S110 PolarHBondContact O-OG 2.9Å
107V96.4Very high91.7Very high79 Ų7992.7 Ų92.748%0.47950%0.498SS..Hα-helixtrans-62-45.7176.7173.60000110.3I103 V104 V105 V109 S110 V111I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.33Å; I103-V107 PolarHBondContact O-N 3.37Å; V104-V107 PolarHBondContact O-N 3.47Å; V105-V107 PolarHBondContact O-N 3.03Å; V107-V109 PolarHBondContact O-N 3.29Å; V107-S110 WeakPolarHBondContact CA-OG 3.39Å; V107-S110 PolarHBondContact O-N 3.44Å; V107-S110 PolarHBondContact O-OG 3.15Å; V107-V111 HydrophobicContact CG1-CG2 4.45Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.81Å
108F96.7Very high92.9Very high146 Ų14698.6 Ų98.664%0.6451%0.509SS*.Hα-helixtrans-61-47.8178.4-174.8-99.9000112.3V104 V105 S110 V111 V112V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 2.89Å; V105-F108 PolarHBondContact O-N 3.5Å; F108-S110 PolarHBondContact O-N 3.09Å; F108-V111 PolarHBondContact O-N 2.79Å; F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.91Å; F108-V112 HydrophobicContact CE2-CG2 4.49Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.14Å
109V96.6Very high93.7Very high71 Ų71104 Ų10443%0.4352%0.517SS..Hα-helixtrans-61.8-43.5177.9171.90000111V105 I106 V107 V111 V112 L113V105-V109 HydrophobicContact CG1-CG2 4.3Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.29Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.42Å; I106-V109 PolarHBondContact O-N 3.17Å; V107-V109 PolarHBondContact O-N 3.29Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 3.09Å; V109-V112 PolarHBondContact O-N 3.38Å; V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.75Å
110S96.1Very high93.8Very high61 Ų61104.1 Ų104.143%0.42751%0.51SS..Hα-helixtrans-63.8-38.5178.567.50000112.6I106 V107 F108 Y114I106-S110 WeakPolarHBondContact O-CB 3.02Å; I106-S110 PolarHBondContact O-N 3.48Å; I106-S110 PolarHBondContact O-OG 2.9Å; V107-S110 WeakPolarHBondContact CA-OG 3.39Å; V107-S110 PolarHBondContact O-N 3.44Å; V107-S110 PolarHBondContact O-OG 3.15Å; F108-S110 PolarHBondContact O-N 3.09Å; S110-Y114 WeakPolarHBondContact O-CB 3.36Å; S110-Y114 PolarHBondContact O-N 3.31Å
111V96.5Very high93.4Very high70 Ų70109.1 Ų109.142%0.42452%0.52SS..Hα-helixtrans-66.7-45.3175.1171.70000111.2V107 F108 V109 Y114 I115V107-V111 HydrophobicContact CG1-CG2 4.45Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 2.81Å; F108-V111 PolarHBondContact O-N 2.79Å; V109-V111 VanDerWaalsContact C-N 3.35Å; V109-V111 PolarHBondContact O-N 3.09Å; V111-Y114 PolarHBondContact O-N 2.88Å; V111-I115 HydrophobicContact CG1-CD1 3.82Å; V111-I115 HydrophobicContact CG1-CG1 4.45Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.12Å
112V96Very high92.4Very high74 Ų74108.2 Ų108.245%0.44852%0.515SS..Hα-helixtrans-61.9-46.4177.6171.70000110.9F108 V109 I115 Y116F108-V112 HydrophobicContact CD1-CG2 4.26Å; F108-V112 HydrophobicContact CE1-CG2 3.91Å; F108-V112 HydrophobicContact CE2-CG2 4.49Å; F108-V112 HydrophobicContact CZ-CG2 4.04Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.14Å; V109-V112 PolarHBondContact O-N 3.38Å; V112-I115 PolarHBondContact O-N 3.31Å; V112-Y116 WeakPolarHBondContact O-CB 3Å; V112-Y116 PolarHBondContact O-N 2.91Å
113L96.1Very high91.3Very high80 Ų80105.6 Ų105.642%0.41951%0.508SS..Hα-helixtrans-62.1-45.3175.7-73175.6000111.1V109 I115 Y116 Y117V109-L113 HydrophobicContact CG1-CD1 3.82Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.38Å; V109-L113 VanDerWaalsContact O-CG 3.31Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.75Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.35Å; L113-Y116 PolarHBondContact O-N 3.01Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; L113-Y117 HydrophobicContact CB-CD2 4.22Å; L113-Y117 HydrophobicContact CB-CE2 4.14Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 WeakPolarHBondContact O-CB 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.11Å; L113-Y117 PolarHBondContact O-N 2.72Å
114Y96.2Very high89.8Confident149 Ų149105.4 Ų105.458%0.58451%0.511SS*.Hα-helixtrans-58.3-44.7176.8175.1-99.5000111.9S110 V111 Y117 R118S110-Y114 WeakPolarHBondContact O-CB 3.36Å; S110-Y114 PolarHBondContact O-N 3.31Å; V111-Y114 PolarHBondContact O-N 2.88Å; Y114-Y117 PolarHBondContact O-N 3.04Å; Y114-R118 WeakPolarHBondContact O-CB 3.26Å; Y114-R118 PolarHBondContact O-N 2.76Å
115I95.5Very high88.2Confident78 Ų78107.9 Ų107.940%0.452%0.516SS..Hα-helixtrans-63.5-43.2175.7-67.9167.2000110.5V111 V112 L113 R118 R119V111-I115 HydrophobicContact CG1-CD1 3.82Å; V111-I115 HydrophobicContact CG1-CG1 4.45Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.01Å; V111-I115 PolarHBondContact O-N 3.12Å; V112-I115 PolarHBondContact O-N 3.31Å; L113-I115 VanDerWaalsContact C-N 3.34Å; L113-I115 PolarHBondContact O-N 3.35Å; I115-R118 PolarHBondContact O-N 2.76Å; I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.37Å; I115-R119 VanDerWaalsContact O-CG 3.3Å; I115-R119 WeakPolarHBondContact O-CG 3.22Å; I115-R119 PolarHBondContact O-N 2.86Å
116Y94.6Very high86.5Confident128 Ų128111 Ų11150%0.50253%0.529SS..Hα-helixtrans-62.4-47.9177.8-179.1-95.4000111.7V112 L113 R119 R120V112-Y116 WeakPolarHBondContact O-CB 3Å; V112-Y116 PolarHBondContact O-N 2.91Å; L113-Y116 PolarHBondContact O-N 3.01Å; L113-Y116 VanDerWaalsContact O-N 3.16Å; Y116-R119 PolarHBondContact O-N 3.3Å; Y116-R120 WeakPolarHBondContact O-CB 3.02Å; Y116-R120 PolarHBondContact O-N 2.71Å
117Y93.2Very high84.8Confident140 Ų140114 Ų11455%0.54954%0.543SS..Hα-helixtrans-63.6-41.2176.1-76.8-64.2000111.9L113 Y114 R120 R121L113-Y117 HydrophobicContact CB-CD2 4.22Å; L113-Y117 HydrophobicContact CB-CE2 4.14Å; L113-Y117 HydrophobicContact CD2-CE2 4.37Å; L113-Y117 WeakPolarHBondContact O-CB 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.11Å; L113-Y117 PolarHBondContact O-N 2.72Å; Y114-Y117 PolarHBondContact O-N 3.04Å; Y117-R120 PolarHBondContact O-N 2.88Å; Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 3.02Å
118R92.1Very high82.7Confident159 Ų159116.3 Ų116.360%0.655%0.552SS**Hα-helixtrans-64.9-46.3177.7-172.7178.3178.3-167.9-0.1111.4Y114 I115 R120 R121 T122Y114-R118 WeakPolarHBondContact O-CB 3.26Å; Y114-R118 PolarHBondContact O-N 2.76Å; I115-R118 PolarHBondContact O-N 2.76Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R118-R120 PolarHBondContact O-N 2.94Å; R118-R121 PolarHBondContact O-N 3.35Å; R118-T122 PolarHBondContact O-N 2.04Å; R118-T122 VanDerWaalsContact O-N 3.1Å; R118-T122 PolarHBondContact O-OG1 2.78Å
119R90.5Very high80.6Confident192 Ų192115.7 Ų115.773%0.72556%0.556SS**Hα-helixtrans-60.7-41174.8-76.2-178.2173.9-165.6-1.3111.7I115 Y116 T122 A123I115-R119 HydrophobicContact CG2-CG 4.36Å; I115-R119 WeakPolarHBondContact O-CB 3.37Å; I115-R119 VanDerWaalsContact O-CG 3.3Å; I115-R119 WeakPolarHBondContact O-CG 3.22Å; I115-R119 PolarHBondContact O-N 2.86Å; Y116-R119 PolarHBondContact O-N 3.3Å; R119-T122 PolarHBondContact O-N 2.03Å; R119-A123 PolarHBondContact O-N 2.81Å
120R87.5Confident78.8Confident111 Ų111117.8 Ų117.842%0.41957%0.571SS.*Hα-helixtrans-68.2-37.2177.9-163.3172.5-175.41743.6111.9Y116 Y117 R118 A123 V124Y116-R120 WeakPolarHBondContact O-CB 3.02Å; Y116-R120 PolarHBondContact O-N 2.71Å; Y117-R120 PolarHBondContact O-N 2.88Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R118-R120 PolarHBondContact O-N 2.94Å; R120-A123 CarbonylContact O-C 3.46Å; R120-A123 PolarHBondContact O-N 3.34Å; R120-V124 HydrophobicContact CG-CG2 4.27Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 2.83Å
121R78.5Confident76.7Confident186 Ų186121.5 Ų121.570%0.70259%0.586SS**Hα-helixtrans-61.3-44173-77.3-174.4-179.3-159.10.7112Y117 R118 A123 V124 E125Y117-R121 WeakPolarHBondContact O-CG 3.29Å; Y117-R121 PolarHBondContact O-N 3.02Å; R118-R121 PolarHBondContact O-N 3.35Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-V124 PolarHBondContact O-N 3.03Å; R121-V124 VanDerWaalsContact O-N 3.17Å; R121-E125 PolarHBondContact O-N 3.18Å
122T67.7Low74.6Confident75 Ų75126.6 Ų126.646%0.4661%0.607SS.*Hα-helixtrans-63.4-32.6174.6-500000112.4R118 R119 L126R118-T122 PolarHBondContact O-N 2.04Å; R118-T122 VanDerWaalsContact O-N 3.1Å; R118-T122 PolarHBondContact O-OG1 2.78Å; R119-T122 PolarHBondContact O-N 2.03Å; T122-L126 WeakPolarHBondContact O-CD1 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 2.97Å
123A67.5Low72.6Confident48 Ų48126.4 Ų126.440%0.39761%0.61SS.*Hα-helixtrans-75.2-33.5173.700000113.2R119 R120 R121 M127R119-A123 PolarHBondContact O-N 2.81Å; R120-A123 CarbonylContact O-C 3.46Å; R120-A123 PolarHBondContact O-N 3.34Å; R121-A123 VanDerWaalsContact C-N 3.27Å; R121-A123 PolarHBondContact O-N 2.95Å; A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.1Å; A123-M127 PolarHBondContact O-N 2.04Å
124V62.9Low70.6Confident85 Ų85129.1 Ų129.152%0.51562%0.624SS.*Hα-helixtrans-75-37.2178171.90000111.1R120 R121 L126 M127 D128R120-V124 HydrophobicContact CG-CG2 4.27Å; R120-V124 WeakPolarHBondContact O-CB 3.45Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 2.83Å; R121-V124 PolarHBondContact O-N 3.03Å; R121-V124 VanDerWaalsContact O-N 3.17Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.01Å; V124-M127 PolarHBondContact O-N 3.5Å; V124-D128 PolarHBondContact O-N 3.34Å
125E60.8Low68.9Low153 Ų153125.9 Ų125.972%0.71562%0.619SS**Hα-helixtrans-64.7-29.4173.4-81175.1158.800112.7R121 M127R121-E125 PolarHBondContact O-N 3.18Å; E125-M127 VanDerWaalsContact C-N 3.3Å
126L59.2Low67.4Low144 Ų144126.8 Ų126.875%0.75463%0.625SS**THydrogen-bonded Turntrans-81.8-6.6173.6-69.9169.7000113.7T122 V124T122-L126 WeakPolarHBondContact O-CD1 3.42Å; T122-L126 WeakPolarHBondContact O-CG 3.32Å; T122-L126 PolarHBondContact O-N 2.97Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.01Å
127M59.5Low66Low165 Ų165126.9 Ų126.981%0.81365%0.645SS**SBendtrans-107.9-2.1178.7-73.2178.8136.600113.2A123 V124 E125A123-M127 VanDerWaalsContact O-CG 3.27Å; A123-M127 WeakPolarHBondContact O-CG 3.1Å; A123-M127 PolarHBondContact O-N 2.04Å; V124-M127 PolarHBondContact O-N 3.5Å; E125-M127 VanDerWaalsContact C-N 3.3Å
128D54.1Low65Low127 Ų127129.4 Ų129.468%0.67966%0.659SS**  trans-96.612.8179.9-161.948000113.4V124 P130V124-D128 PolarHBondContact O-N 3.34Å; D128-P130 WeakPolarHBondContact O-CD 3.15Å; D128-P130 WeakPolarHBondContact O-CG 3.43Å
129D51.4Low63.3Low134 Ų134124.7 Ų124.772%0.71766%0.659SS**  trans-82.1100.2170.7-129.9-39.1000109.2N131D129-N131 PolarHBondContact O-N 3Å
130P59Low61.9Low114 Ų114125 Ų12574%0.7466%0.661SS**THydrogen-bonded Turntrans-82.78.3-170.4-223.7000112.4D128D128-P130 WeakPolarHBondContact O-CD 3.15Å; D128-P130 WeakPolarHBondContact O-CG 3.43Å
131N51.9Low60.5Low139 Ų139127.1 Ų127.174%0.74368%0.676SS**THydrogen-bonded Turntrans-124.330.6-167.5-84.7-19.5000114.2D129 S133D129-N131 PolarHBondContact O-N 3Å; N131-S133 PolarHBondContact O-N 3.13Å
132M52.1Low59.5Low177 Ų177123.4 Ų123.487%0.87267%0.673SS**  trans-75.273.1163.3-166.9121.285.900110L134M132-L134 PolarHBondContact O-N 2.78Å; M132-L134 VanDerWaalsContact O-N 3.08Å
133S54.3Low58.9Low71 Ų71123 Ų12350%0.49768%0.684SS.*  trans-63.6104.716355.70000108.2N131 T135N131-S133 PolarHBondContact O-N 3.13Å; S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.76Å
134L53.2Low58Low136 Ų136126.7 Ų126.771%0.71271%0.707SS**  trans-7691.7174-147.9161.8000106.7M132M132-L134 PolarHBondContact O-N 2.78Å; M132-L134 VanDerWaalsContact O-N 3.08Å
135T61Low57.5Low81 Ų81130.6 Ų130.650%0.49772%0.724SS.*BIsolated β-bridgetrans-80.6128.7171.548.60000108.3S133S133-T135 VanDerWaalsContact C-N 3.33Å; S133-T135 PolarHBondContact O-N 2.76Å
136D65Low56.7Low98 Ų98127.1 Ų127.152%0.52472%0.717SS.*  trans-66.1166.5166.1-172.112.8000109.6F138 G139D136-F138 PolarHBondContact O-N 3.13Å; D136-G139 PolarHBondContact O-N 2.87Å
137S65.1Low56.2Low130 Ų130132.1 Ų132.191%0.90973%0.726SS**THydrogen-bonded Turntrans-55.1-9175.7-63.10000114.2
138F71.1Confident55.7Low192 Ų192131.9 Ų131.984%0.84272%0.722SS**THydrogen-bonded Turntrans-105.29.2175-131.7-95.9000114.4D136 R140D136-F138 PolarHBondContact O-N 3.13Å; F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.86Å
139G57.8Low55.2Low60 Ų60132.3 Ų132.362%0.61973%0.725SS**  trans71.216.8175.900000115.2D136D136-G139 PolarHBondContact O-N 2.87Å
140R59.4Low54.9Low199 Ų199130.6 Ų130.675%0.75172%0.724SS**  trans-95.2130.9-178.8-145.6172.9-166.6170.33.1110.4F138 V142F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.86Å; R140-V142 PolarHBondContact O-N 2.99Å
141Q59.6Low54.2Low156 Ų156134.6 Ų134.673%0.72973%0.73SS**BIsolated β-bridgetrans-68.8120.1171.9-71.6-1525.100110
142V58Low54Low107 Ų107135.3 Ų135.365%0.64873%0.733SS**  trans-100.292.5172.9-174.80000107.5R140R140-V142 PolarHBondContact O-N 2.99Å
143G54.4Low53.2Low68 Ų68137 Ų13770%0.70173%0.731SS**  trans35.5132.2158.600000121.3L145G143-L145 PolarHBondContact O-N 2.84Å
144S48.2Very low52.5Low125 Ų125139.3 Ų139.387%0.87474%0.737SS**PPolyproline II helixtrans-63.5124.1167.657.80000112.1
145L53.1Low52.1Low166 Ų166141.1 Ų141.187%0.86974%0.742SS**PPolyproline II helixtrans-89.2116.2171.8-136.1145.6000109.4G143G143-L145 PolarHBondContact O-N 2.84Å
146S43.5Very low51Low81 Ų81146.8 Ų146.857%0.56676%0.76SS**PPolyproline II helixtrans-56.7146.1-166.8-164.50000114.7E148S146-E148 PolarHBondContact O-N 3.5Å
147R48Very low49.8Very low249 Ų249147.4 Ų147.494%0.9477%0.767SS**THydrogen-bonded Turntrans-71.638.1-172.8-161.7172.4110.8158.84.3114.1
148E49.8Very low48.7Very low159 Ų159147 Ų14774%0.74376%0.762SS**THydrogen-bonded Turntrans-112.4-14.4-176.5-93.7167.794.300114.9S146S146-E148 PolarHBondContact O-N 3.5Å
149N42.7Very low47.4Very low136 Ų136143.3 Ų143.373%0.72776%0.755SS**SBendtrans-98.94.4-176.1-76.6-10.9000115.9
150S46.5Very low46.6Very low99 Ų99148.6 Ų148.669%0.69277%0.766SS**SBendtrans-83.9-15.6-178.4-161.60000113.9
151F43.8Very low45.9Very low198 Ų198145.4 Ų145.487%0.86877%0.768SS**G310 helixtrans-78.1-21.6-176.1-140.2-97.3000113.8
152L47.3Very low45.3Very low154 Ų154144.3 Ų144.381%0.80677%0.766SS**G310 helixtrans-85.6-8-179.6-148.579.3000113.6
153Y35.9Very low44.5Very low212 Ų212144.5 Ų144.583%0.83177%0.772SS**G310 helixtrans-100.9-1.5-172.7-124.8-91.6000114.7
154N38.8Very low44.5Very low119 Ų119148.5 Ų148.564%0.63678%0.776SS**SBendtrans-99.52.3177-118.9-25000113.6K156N154-K156 VanDerWaalsContact C-N 3.32Å; N154-K156 PolarHBondContact O-N 3.05Å
155E44.6Very low44.8Very low175 Ų175151.1 Ų151.182%0.81877%0.772SS**  trans-93.145.9-178.6-160.4171.7104.100112.6
156K38.6Very low45.1Very low199 Ų199149.2 Ų149.287%0.86577%0.77SS**  trans-134.357.3176.4-122.3175-172.7175.60111.7N154N154-K156 VanDerWaalsContact C-N 3.32Å; N154-K156 PolarHBondContact O-N 3.05Å
157T40.8Very low45.6Very low111 Ų111151.4 Ų151.468%0.68178%0.78SS**  trans-83.7126.7157.532.80000108.8T159T157-T159 PolarHBondContact O-N 2.71Å
158P41.8Very low46.2Very low122 Ų122145 Ų14579%0.79277%0.77SS**  trans-73.797.1170.230.1-29.6000107.7M160P158-M160 PolarHBondContact O-N 2.54Å
159T43.3Very low46.2Very low114 Ų114145.3 Ų145.370%0.69978%0.777SS**  trans-67.899.4165.339.90000108T157 V161T157-T159 PolarHBondContact O-N 2.71Å; T159-V161 VanDerWaalsContact C-N 3.26Å; T159-V161 PolarHBondContact O-N 2.89Å
160M40.6Very low46.3Very low172 Ų172142.4 Ų142.485%0.84778%0.779SS**  trans-70.392.8161-74.4-140.9-69.500107.7P158 I162P158-M160 PolarHBondContact O-N 2.54Å; M160-I162 PolarHBondContact O-N 2.95Å
161V44.9Very low46.2Very low131 Ų131144.4 Ų144.479%0.79479%0.786SS**  trans-66.495.5165.9-82.20000108.5T159 S163T159-V161 VanDerWaalsContact C-N 3.26Å; T159-V161 PolarHBondContact O-N 2.89Å; V161-S163 PolarHBondContact O-N 2.84Å; V161-S163 VanDerWaalsContact O-N 3.17Å
162I47.6Very low45.9Very low134 Ų134139.3 Ų139.369%0.68778%0.781SS**  trans-75.3101.3161.9-58.1175.6000105.6M160 L164M160-I162 PolarHBondContact O-N 2.95Å; I162-L164 HydrophobicContact CG2-CD1 4.43Å; I162-L164 HydrophobicContact CG2-CG 4.09Å; I162-L164 PolarHBondContact O-N 2.95Å
163S41.4Very low45.6Very low110 Ų110141 Ų14177%0.76979%0.785SS**  trans-6986172-165.30000108.6V161 K165V161-S163 PolarHBondContact O-N 2.84Å; V161-S163 VanDerWaalsContact O-N 3.17Å; S163-K165 PolarHBondContact O-N 3.15Å
164L53.2Low45.8Very low152 Ų152140.3 Ų140.380%0.79679%0.789SS**  trans-75.4105.3164.9-76.7151.7000106.7I162I162-L164 HydrophobicContact CG2-CD1 4.43Å; I162-L164 HydrophobicContact CG2-CG 4.09Å; I162-L164 PolarHBondContact O-N 2.95Å
165K55.4Low45.9Very low180 Ų180139.9 Ų139.978%0.78380%0.796SS**PPolyproline II helixtrans-60.6136.5170.4-79-174.3176.3-179.70108.9S163 V167S163-K165 PolarHBondContact O-N 3.15Å; K165-V167 PolarHBondContact O-N 2.66Å
166P58.2Low45.7Very low126 Ų126136.8 Ų136.882%0.81879%0.793SS**PPolyproline II helixtrans-64.5123.6176.825.4-31000109.6
167V53.7Low46Very low128 Ų128133.2 Ų133.278%0.77679%0.788SS**PPolyproline II helixtrans-76.4126.2166.3174.50000106.5K165K165-V167 PolarHBondContact O-N 2.66Å
168P62.3Low46.6Very low115 Ų115134 Ų13475%0.74779%0.793SS**PPolyproline II helixtrans-69.5135.4-176.727.2-32.7000111.1G170P168-G170 PolarHBondContact O-N 2.81Å
169D49.5Very low46.7Very low165 Ų165136.2 Ų136.288%0.88279%0.793SS**  trans-59.1104.9175.7-64.7-57000110.8
170G43.7Very low47.2Very low74 Ų74136.7 Ų136.776%0.76380%0.795SS**  trans-125.764.8168.700000108.9P168 A172P168-G170 PolarHBondContact O-N 2.81Å; G170-A172 PolarHBondContact O-N 3.05Å
171V43.9Very low47.9Very low141 Ų141136 Ų13686%0.85579%0.794SS**  trans-71.8104.5172.5174.10000108.2
172A38.8Very low48.2Very low91 Ų91139.9 Ų139.975%0.75282%0.818SS**  trans-140.290.8157.400000107.4G170G170-A172 PolarHBondContact O-N 3.05Å
173Q40.5Very low48.3Very low189 Ų189140.2 Ų140.288%0.88382%0.824SS**  trans-164.9108.2138.8-109.8178.6-30.400110
174E41.3Very low48.6Very low199 Ų199141.7 Ų141.793%0.9383%0.827SS**  trans-52.5128.4162.8-79.1165.47000110.7
175S39.5Very low48.4Very low110 Ų110141.2 Ų141.277%0.76983%0.829SS**  trans-150.176.2151.6-176.10000108.2
176S41.2Very low48Very low110 Ų110138.9 Ų138.977%0.76983%0.832SS**  trans-92.5106.6167.7-173.40000108.6
177T44Very low47.3Very low124 Ų124139.7 Ų139.776%0.76183%0.833SS**  trans-90.6111.5166.7-44.10000108.3
178T53.1Low46.9Very low126 Ų126140.5 Ų140.577%0.77384%0.836SS**  trans-135.7111.2162.9-50.50000108.4
179Q44.5Very low45.8Very low169 Ų169142.3 Ų142.379%0.7984%0.843SS**  trans-71.6144162.4-73.9173.5-2.700109.3
180T53.9Low45.5Very low124 Ų124140.5 Ų140.576%0.76184%0.84SS**  158134.7125-54.20000112.4
181L54.7Low45.7Very low158 Ų158146.1 Ų146.183%0.82785%0.846SS**  trans83.896.3154.6-97.3153.3000120.8
182V52.8Low45.8Very low212 Ų212146.5 Ų146.5100%1.28585%0.845SS**  -152095.6171.70000108.1

Retrieved 182 of 182 residues in 346.3 ms (Link to these results)