A0A067ZVH5_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZVH5, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 221 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
1C53.4Low65.7Low138 Ų138130.5 Ų130.593%0.93265%0.652SS**  0127.40-670000110.2C3 E4C1-C3 PolarHBondContact O-N 3.47Å; C1-E4 PolarHBondContact O-N 3.22Å; C1-E4 VanDerWaalsContact O-N 3.14Å
2P56Low65.2Low106 Ų106126.4 Ų126.469%0.68864%0.639SS**Hα-helixtrans-59.4-20.5-176.522.1-31.9000113.9E4 L6P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.15Å; P2-L6 PolarHBondContact O-N 3.32Å
3C58.2Low64.6Low97 Ų97123 Ų12366%0.65562%0.623SS**Hα-helixtrans-67.4-28.7177.8-52.80000114C1 R7C1-C3 PolarHBondContact O-N 3.47Å; C3-R7 PolarHBondContact O-N 3.34Å
4E67.7Low64.2Low136 Ų136117.8 Ų117.864%0.63661%0.608SS**Hα-helixtrans-78.1-34.2-176.5-140.4-169.416600112C1 P2 R7 K8C1-E4 PolarHBondContact O-N 3.22Å; C1-E4 VanDerWaalsContact O-N 3.14Å; P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.15Å; E4-R7 PolarHBondContact O-N 3.42Å; E4-K8 PolarHBondContact O-N 2.9Å; E4-K8 VanDerWaalsContact O-N 3.12Å
5Y63.7Low63.5Low190 Ų190116.7 Ų116.775%0.74560%0.604SS**Hα-helixtrans-70.1-41.8176.9-155.1-92.2000111.4R7 K8 F9Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.41Å; Y5-K8 PolarHBondContact O-N 3.21Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 3.41Å
6L67.8Low62.9Low106 Ų106118.3 Ų118.356%0.55561%0.607SS**Hα-helixtrans-61.6-39.5173.3-102148.1000112.2P2 F9 I10P2-L6 PolarHBondContact O-N 3.32Å; L6-F9 PolarHBondContact O-N 2.97Å; L6-I10 HydrophobicContact CD2-CD1 4.36Å; L6-I10 WeakPolarHBondContact O-CB 3.28Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.02Å
7R71.5Confident62.2Low185 Ų185120.4 Ų120.470%0.69861%0.614SS**Hα-helixtrans-68.1-40.5178.6-154.5178.3-153.6-172.75.9112.4C3 E4 Y5 N11C3-R7 PolarHBondContact O-N 3.34Å; E4-R7 PolarHBondContact O-N 3.42Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.41Å; R7-N11 WeakPolarHBondContact O-CB 3.4Å; R7-N11 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-ND2 3.31Å
8K73.4Confident61.4Low146 Ų146123.1 Ų123.164%0.63562%0.623SS**Hα-helixtrans-61.9-46.8171.8-90.4178.5176.5172.30111.1E4 Y5 I10 N11 T12E4-K8 PolarHBondContact O-N 2.9Å; E4-K8 VanDerWaalsContact O-N 3.12Å; Y5-K8 PolarHBondContact O-N 3.21Å; K8-I10 PolarHBondContact O-N 3.46Å; K8-N11 PolarHBondContact O-N 3.48Å; K8-T12 PolarHBondContact O-N 3.45Å; K8-T12 PolarHBondContact O-OG1 3.02Å
9F73.6Confident60.9Low128 Ų128127.5 Ų127.556%0.56163%0.631SS**Hα-helixtrans-61.5-44-179.6-165.9-101.7000112.6Y5 L6 T12 L13Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 3.41Å; L6-F9 PolarHBondContact O-N 2.97Å; F9-T12 PolarHBondContact O-N 3.41Å; F9-L13 HydrophobicContact CD1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 WeakPolarHBondContact O-CB 3.25Å; F9-L13 PolarHBondContact O-N 3.44Å
10I72.2Confident60.2Low101 Ų101123.9 Ų123.952%0.51863%0.628SS.*Hα-helixtrans-64.4-40.7176.8-67.4165000111.2L6 K8 L13 A14L6-I10 HydrophobicContact CD2-CD1 4.36Å; L6-I10 WeakPolarHBondContact O-CB 3.28Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.02Å; K8-I10 PolarHBondContact O-N 3.46Å; I10-L13 PolarHBondContact O-N 3.35Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 2.9Å
11N65Low59.6Low102 Ų102124 Ų12455%0.54564%0.635SS.*Hα-helixtrans-68.5-37.3178.1-72.3-14.6000112.2R7 K8 A14 D15R7-N11 WeakPolarHBondContact O-CB 3.4Å; R7-N11 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-ND2 3.31Å; K8-N11 PolarHBondContact O-N 3.48Å; N11-A14 PolarHBondContact O-N 3.4Å; N11-D15 WeakPolarHBondContact O-CB 3.25Å; N11-D15 PolarHBondContact O-N 3.45Å
12T60.1Low59.3Low82 Ų82124.1 Ų124.150%0.50363%0.626SS.*Hα-helixtrans-68.4-35.7173.5-46.10000111.7K8 F9 D15 H16K8-T12 PolarHBondContact O-N 3.45Å; K8-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 PolarHBondContact O-N 3.41Å; T12-D15 PolarHBondContact O-N 2.88Å; T12-H16 PolarHBondContact O-N 3Å; T12-H16 VanDerWaalsContact O-N 3.1Å
13L57.2Low58.8Low82 Ų82128.6 Ų128.643%0.42964%0.635SS.*Hα-helixtrans-68.7-38.8174.9-127111.5000112.2F9 I10 H16 H17F9-L13 HydrophobicContact CD1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 WeakPolarHBondContact O-CB 3.25Å; F9-L13 PolarHBondContact O-N 3.44Å; I10-L13 PolarHBondContact O-N 3.35Å; L13-H16 PolarHBondContact O-N 3.05Å; L13-H17 PolarHBondContact O-CD2 2.97Å; L13-H17 PolarHBondContact O-N 3.44Å
14A58.7Low58.2Low50 Ų50127.1 Ų127.141%0.41364%0.636SS.*Hα-helixtrans-66.1-37.817600000111.9I10 N11 H17 H18I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 2.9Å; N11-A14 PolarHBondContact O-N 3.4Å; A14-H17 PolarHBondContact O-N 3.31Å; A14-H18 PolarHBondContact O-N 3.08Å
15D54.3Low57.3Low102 Ų102124.2 Ų124.255%0.54564%0.643SS.*Hα-helixtrans-67.5-35.3175.3-163.161.2000112N11 T12N11-D15 WeakPolarHBondContact O-CB 3.25Å; N11-D15 PolarHBondContact O-N 3.45Å; T12-D15 PolarHBondContact O-N 2.88Å
16H53.1Low56.8Low141 Ų141117.9 Ų117.965%0.65363%0.626SS**Hα-helixtrans-72.7-33.2172.6-86.921.8000114T12 L13 H18 R19T12-H16 PolarHBondContact O-N 3Å; T12-H16 VanDerWaalsContact O-N 3.1Å; L13-H16 PolarHBondContact O-N 3.05Å; H16-H18 VanDerWaalsContact C-N 3.29Å; H16-H18 PolarHBondContact O-N 3.02Å; H16-R19 PolarHBondContact O-N 3.47Å
17H51.9Low56.2Low155 Ų155117.3 Ų117.372%0.71863%0.629SS**Hα-helixtrans-73-20.1175.7-96.5-81.3000113.6L13 A14L13-H17 PolarHBondContact O-CD2 2.97Å; L13-H17 PolarHBondContact O-N 3.44Å; A14-H17 PolarHBondContact O-N 3.31Å
18H47.4Very low55.3Low169 Ų169117.5 Ų117.578%0.78263%0.63SS**THydrogen-bonded Turntrans-85-8.5174.1-97.5-62.8000114.4A14 H16A14-H18 PolarHBondContact O-N 3.08Å; H16-H18 VanDerWaalsContact C-N 3.29Å; H16-H18 PolarHBondContact O-N 3.02Å
19R51.1Low54.5Low207 Ų207112.7 Ų112.778%0.78162%0.615SS**SBendtrans-108.528.6-174.1-128176.4176.6179.4-1.6114.1H16H16-R19 PolarHBondContact O-N 3.47Å
20G47.8Very low53.8Low54 Ų54113.6 Ų113.656%0.55762%0.62SS**  trans-141.236-165.800000116.2
21T48.1Very low53.2Low127 Ų127112.6 Ų112.678%0.77962%0.619SS**  trans-130.223.3163.548.30000113.5
22D47Very low53.1Low140 Ų140113.1 Ų113.175%0.74962%0.62SS**  trans-96.514.2179.3-63.5-24.6000113.9G24D22-G24 PolarHBondContact O-N 2.65Å
23F44.4Very low53.1Low201 Ų201115 Ų11588%0.88263%0.626SS**THydrogen-bonded Turntrans-79.415.1163.2-76.1-76.5000112.9
24G46.7Very low53.1Low66 Ų66113.5 Ų113.568%0.6863%0.626SS**THydrogen-bonded Turntrans-870.9174.400000115D22D22-G24 PolarHBondContact O-N 2.65Å
25G48.9Very low52.9Low75 Ų75118.4 Ų118.477%0.77364%0.638SS**SBendtrans-10612-173.500000116.3
26S52.2Low53.2Low56 Ų56115.9 Ų115.939%0.39263%0.627SS.*SBendtrans-110.8137.7-171.2-159.90000112.6W28 S29S26-W28 PolarHBondContact O-N 3.15Å; S26-S29 PolarHBondContact O-N 2.91Å; S26-S29 VanDerWaalsContact O-N 3.13Å; S26-S29 PolarHBondContact O-OG 3.42Å; S26-S29 VanDerWaalsContact O-OG 3.08Å
27P56.5Low53.6Low94 Ų94113.3 Ų113.361%0.6162%0.621SS**THydrogen-bonded Turntrans-49.7-16-179.8-28.233.6000115.9H30 V31P27-H30 PolarHBondContact O-N 3.33Å; P27-V31 WeakPolarHBondContact O-CG2 3.37Å; P27-V31 PolarHBondContact O-N 3.01Å
28W51.2Low54.2Low189 Ų189109.2 Ų109.272%0.71661%0.61SS**Hα-helixtrans-65.2-31.3178.1-7866000114.3S26 V31 I32S26-W28 PolarHBondContact O-N 3.15Å; W28-V31 PolarHBondContact O-N 3.09Å; W28-I32 WeakPolarHBondContact O-CD1 3.43Å; W28-I32 VanDerWaalsContact O-CG1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.34Å; W28-I32 PolarHBondContact O-N 3.41Å
29S57.2Low55.5Low46 Ų46106.6 Ų106.632%0.32259%0.594SS.*Hα-helixtrans-67.3-38.5177.253.20000111.9S26 V31 I32 I33S26-S29 PolarHBondContact O-N 2.91Å; S26-S29 VanDerWaalsContact O-N 3.13Å; S26-S29 PolarHBondContact O-OG 3.42Å; S26-S29 VanDerWaalsContact O-OG 3.08Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-I32 PolarHBondContact O-N 2.81Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å; S29-I33 VanDerWaalsContact O-N 3.12Å
30H58.7Low56.7Low146 Ų146102.5 Ų102.568%0.67658%0.582SS**Hα-helixtrans-63.6-39.2171.2-73.4-74.3000112P27 I33 A34P27-H30 PolarHBondContact O-N 3.33Å; H30-I33 PolarHBondContact O-N 3.4Å; H30-A34 WeakPolarHBondContact O-CB 3.4Å; H30-A34 PolarHBondContact O-N 3.3Å
31V60.5Low58Low80 Ų80103.8 Ų103.849%0.48558%0.579SS.*Hα-helixtrans-63.1-45.8174.7177.30000110.4P27 W28 S29 I33 A34 F35P27-V31 WeakPolarHBondContact O-CG2 3.37Å; P27-V31 PolarHBondContact O-N 3.01Å; W28-V31 PolarHBondContact O-N 3.09Å; S29-V31 VanDerWaalsContact C-N 3.34Å; V31-I33 VanDerWaalsContact C-N 3.31Å; V31-I33 PolarHBondContact O-N 2.87Å; V31-A34 PolarHBondContact O-N 3.5Å; V31-F35 VanDerWaalsContact O-CB 3.25Å; V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.92Å
32I61.4Low59.6Low113 Ų113102.2 Ų102.258%0.57957%0.569SS**Hα-helixtrans-65.2-30-178.5-66.4161.9000112.7W28 S29 P36W28-I32 WeakPolarHBondContact O-CD1 3.43Å; W28-I32 VanDerWaalsContact O-CG1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.34Å; W28-I32 PolarHBondContact O-N 3.41Å; S29-I32 PolarHBondContact O-N 2.81Å; I32-P36 WeakPolarHBondContact O-CD 3.3Å; I32-P36 WeakPolarHBondContact O-CG 3.48Å
33I60.4Low61.3Low123 Ų12399.7 Ų99.763%0.63155%0.554SS**Hα-helixtrans-90.5-34.7178.2-62.3170000112.3S29 H30 V31 P36 T37S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å; S29-I33 VanDerWaalsContact O-N 3.12Å; H30-I33 PolarHBondContact O-N 3.4Å; V31-I33 VanDerWaalsContact C-N 3.31Å; V31-I33 PolarHBondContact O-N 2.87Å; I33-P36 WeakPolarHBondContact O-CD 3.19Å; I33-T37 PolarHBondContact O-OG1 2.84Å; I33-T37 VanDerWaalsContact O-OG1 3.11Å
34A56.9Low63Low50 Ų5094 Ų9441%0.41354%0.536SS..Hα-helixtrans-74.1-37.7179.700000112.2H30 V31 T37 S38H30-A34 WeakPolarHBondContact O-CB 3.4Å; H30-A34 PolarHBondContact O-N 3.3Å; V31-A34 PolarHBondContact O-N 3.5Å; A34-T37 PolarHBondContact O-N 3.45Å; A34-S38 WeakPolarHBondContact O-CB 3.45Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 3.49Å; A34-S38 VanDerWaalsContact O-OG 3.05Å
35F55.8Low64.8Low153 Ų15396.2 Ų96.267%0.67153%0.532SS*.Hα-helixtrans-60.5-42.9-178.8-141.6-94.5000113.1V31 T37 S38 Y39V31-F35 VanDerWaalsContact O-CB 3.25Å; V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.92Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.8Å; F35-S38 PolarHBondContact O-N 2.93Å; F35-Y39 WeakPolarHBondContact O-CD1 3.45Å; F35-Y39 PolarHBondContact O-N 3.45Å
36P60.3Low66.5Low49 Ų49100.6 Ų100.632%0.31853%0.525SS..Hα-helixtrans-60.8-37.6174.2-27.736.4000114.7I32 I33 Y39 K40I32-P36 WeakPolarHBondContact O-CD 3.3Å; I32-P36 WeakPolarHBondContact O-CG 3.48Å; I33-P36 WeakPolarHBondContact O-CD 3.19Å; P36-Y39 HydrophobicContact CB-CD1 4.31Å; P36-Y39 HydrophobicContact CB-CE1 3.86Å; P36-Y39 VanDerWaalsContact O-CD1 3.22Å; P36-Y39 WeakPolarHBondContact O-CD1 3.27Å; P36-Y39 VanDerWaalsContact O-CE1 3.27Å; P36-Y39 WeakPolarHBondContact O-CE1 3.32Å; P36-K40 VanDerWaalsContact O-CG 3.28Å; P36-K40 WeakPolarHBondContact O-CG 3.02Å; P36-K40 PolarHBondContact O-N 3.31Å
37T60.3Low68.3Low86 Ų86101.5 Ų101.553%0.52853%0.525SS..Hα-helixtrans-74.7-43.3-177.3-51.80000109.8I33 A34 F35 K40 V41I33-T37 PolarHBondContact O-OG1 2.84Å; I33-T37 VanDerWaalsContact O-OG1 3.11Å; A34-T37 PolarHBondContact O-N 3.45Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.8Å; T37-K40 PolarHBondContact O-N 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.87Å; T37-V41 VanDerWaalsContact O-N 3.14Å
38S65.6Low69.8Low69 Ų69100.9 Ų100.948%0.48352%0.519SS..Hα-helixtrans-63.7-44.3176.9-60.60000112.6A34 F35 K40 V41 V42A34-S38 WeakPolarHBondContact O-CB 3.45Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 3.49Å; A34-S38 VanDerWaalsContact O-OG 3.05Å; F35-S38 PolarHBondContact O-N 2.93Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 2.94Å; S38-V41 PolarHBondContact O-N 3.25Å; S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 3.4Å
39Y74.8Confident71.5Confident115 Ų11599.7 Ų99.745%0.45152%0.516SS..Hα-helixtrans-64.3-38.9178.289.4-113.6000111.4F35 P36 V41 V42 I43F35-Y39 WeakPolarHBondContact O-CD1 3.45Å; F35-Y39 PolarHBondContact O-N 3.45Å; P36-Y39 HydrophobicContact CB-CD1 4.31Å; P36-Y39 HydrophobicContact CB-CE1 3.86Å; P36-Y39 VanDerWaalsContact O-CD1 3.22Å; P36-Y39 WeakPolarHBondContact O-CD1 3.27Å; P36-Y39 VanDerWaalsContact O-CE1 3.27Å; P36-Y39 WeakPolarHBondContact O-CE1 3.32Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 2.91Å; Y39-V42 PolarHBondContact O-N 3.34Å; Y39-I43 HydrophobicContact CD2-CD1 3.57Å; Y39-I43 HydrophobicContact CD2-CG1 4.38Å; Y39-I43 HydrophobicContact CE2-CD1 4.1Å; Y39-I43 WeakPolarHBondContact O-CB 3.17Å; Y39-I43 VanDerWaalsContact O-CG1 3.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.92Å
40K75.2Confident73Confident121 Ų121101.8 Ų101.853%0.52652%0.523SS..Hα-helixtrans-62.8-40179.1-76.8-179.3-179.2178.50111.1P36 T37 S38 T44P36-K40 VanDerWaalsContact O-CG 3.28Å; P36-K40 WeakPolarHBondContact O-CG 3.02Å; P36-K40 PolarHBondContact O-N 3.31Å; T37-K40 PolarHBondContact O-N 3.24Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 2.94Å; K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.49Å; K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 3.4Å
41V76.6Confident74.3Confident81 Ų81102.2 Ų102.249%0.49152%0.519SS..Hα-helixtrans-65.7-47.3176.21740000110.6T37 S38 Y39 I43 T44 L45T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.87Å; T37-V41 VanDerWaalsContact O-N 3.14Å; S38-V41 PolarHBondContact O-N 3.25Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 2.91Å; V41-I43 PolarHBondContact O-N 3.1Å; V41-T44 PolarHBondContact O-N 3.18Å; V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.82Å
42V80.7Confident75.4Confident94 Ų94102.3 Ų102.357%0.5752%0.519SS*.Hα-helixtrans-62.4-45179.2174.10000111.9S38 Y39 T44 L45 W46S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 3.4Å; Y39-V42 PolarHBondContact O-N 3.34Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 3.39Å; V42-W46 WeakPolarHBondContact O-CB 3.34Å; V42-W46 PolarHBondContact O-N 3.22Å
43I83.4Confident76.3Confident86 Ų8699 Ų9944%0.44151%0.506SS..Hα-helixtrans-62.1-43.6176.5-68.9178.6000110.5Y39 V41 L45 W46 I47Y39-I43 HydrophobicContact CD2-CD1 3.57Å; Y39-I43 HydrophobicContact CD2-CG1 4.38Å; Y39-I43 HydrophobicContact CE2-CD1 4.1Å; Y39-I43 WeakPolarHBondContact O-CB 3.17Å; Y39-I43 VanDerWaalsContact O-CG1 3.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.92Å; V41-I43 PolarHBondContact O-N 3.1Å; I43-L45 PolarHBondContact O-N 3.36Å; I43-W46 PolarHBondContact O-N 3.1Å; I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.37Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.3Å; I43-I47 PolarHBondContact O-N 2.97Å
44T80.4Confident77.2Confident83 Ų8397.2 Ų97.251%0.50950%0.497SS..Hα-helixtrans-63.5-44.1178.9-55.90000111.2K40 V41 V42 I47 V48K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.49Å; K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 3.4Å; V41-T44 PolarHBondContact O-N 3.18Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.97Å; T44-I47 PolarHBondContact O-N 2.83Å; T44-V48 VanDerWaalsContact O-CG2 3.31Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.04Å
45L83.1Confident78.4Confident112 Ų11299.8 Ų99.859%0.58650%0.503SS*.Hα-helixtrans-62.6-42.3175.9-72.2171.5000111.9V41 V42 I43 V48 Y49V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.82Å; V42-L45 PolarHBondContact O-N 3.39Å; I43-L45 PolarHBondContact O-N 3.36Å; L45-V48 PolarHBondContact O-N 2.89Å; L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.29Å; L45-Y49 PolarHBondContact O-N 3.32Å
46W86.2Confident79.2Confident166 Ų16699.9 Ų99.963%0.62950%0.504SS*.Hα-helixtrans-64.3-42.1177.4-17172.5000112V42 I43 Y49 L50V42-W46 WeakPolarHBondContact O-CB 3.34Å; V42-W46 PolarHBondContact O-N 3.22Å; I43-W46 PolarHBondContact O-N 3.1Å; W46-Y49 PolarHBondContact O-N 3.5Å; W46-L50 HydrophobicContact CH2-CD1 4.32Å; W46-L50 HydrophobicContact CZ2-CD1 4.12Å; W46-L50 WeakPolarHBondContact O-CB 3.31Å; W46-L50 PolarHBondContact O-N 3.27Å
47I88.3Confident79.7Confident76 Ų76102 Ų10239%0.3952%0.515SS..Hα-helixtrans-60.9-50.9174.3-70.5168.4000110I43 T44 Y49 L50 W51I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.37Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.3Å; I43-I47 PolarHBondContact O-N 2.97Å; T44-I47 PolarHBondContact O-N 2.83Å; I47-Y49 VanDerWaalsContact C-N 3.31Å; I47-Y49 PolarHBondContact O-N 3.47Å; I47-L50 PolarHBondContact O-N 3.1Å; I47-W51 PolarHBondContact O-N 2.93Å
48V88.7Confident80.2Confident81 Ų81102.1 Ų102.149%0.49151%0.512SS..Hα-helixtrans-59.5-43.5179.31720000110.8T44 L45 L50 W51 V52T44-V48 VanDerWaalsContact O-CG2 3.31Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.04Å; L45-V48 PolarHBondContact O-N 2.89Å; V48-L50 PolarHBondContact O-N 2.89Å; V48-W51 PolarHBondContact O-N 2.88Å; V48-V52 HydrophobicContact CG1-CG2 4.33Å; V48-V52 VanDerWaalsContact O-CG2 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 3.49Å
49Y87.9Confident79.9Confident163 Ų163104.1 Ų104.164%0.63951%0.512SS*.Hα-helixtrans-61.7-43.6177-179-99.5000112.5L45 W46 I47 V52 S53L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.29Å; L45-Y49 PolarHBondContact O-N 3.32Å; W46-Y49 PolarHBondContact O-N 3.5Å; I47-Y49 VanDerWaalsContact C-N 3.31Å; I47-Y49 PolarHBondContact O-N 3.47Å; Y49-V52 PolarHBondContact O-N 3.01Å; Y49-S53 VanDerWaalsContact O-CB 3.29Å; Y49-S53 WeakPolarHBondContact O-CB 3.2Å; Y49-S53 PolarHBondContact O-N 3.31Å; Y49-S53 PolarHBondContact O-OG 2.92Å
50L87.2Confident78.8Confident90 Ų90109.1 Ų109.147%0.47153%0.531SS..Hα-helixtrans-63.7-41.7177.1-164.5115.4000111.2W46 I47 V48 S53 L54W46-L50 HydrophobicContact CH2-CD1 4.32Å; W46-L50 HydrophobicContact CZ2-CD1 4.12Å; W46-L50 WeakPolarHBondContact O-CB 3.31Å; W46-L50 PolarHBondContact O-N 3.27Å; I47-L50 PolarHBondContact O-N 3.1Å; V48-L50 PolarHBondContact O-N 2.89Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.31Å
51W86Confident77.7Confident156 Ų156107.2 Ų107.259%0.59153%0.533SS*.Hα-helixtrans-64.8-45175.3-85.1100000112.6I47 V48 S53 L54 L55I47-W51 PolarHBondContact O-N 2.93Å; V48-W51 PolarHBondContact O-N 2.88Å; W51-S53 VanDerWaalsContact C-N 3.33Å; W51-S53 PolarHBondContact O-N 2.88Å; W51-L54 PolarHBondContact O-N 3.46Å; W51-L55 VanDerWaalsContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CB 3.4Å; W51-L55 WeakPolarHBondContact O-CD1 3.33Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.22Å
52V83.7Confident76.4Confident82 Ų82111.4 Ų111.450%0.49754%0.54SS..Hα-helixtrans-64.1-40177.3171.70000110.8V48 Y49 L55 K56V48-V52 HydrophobicContact CG1-CG2 4.33Å; V48-V52 VanDerWaalsContact O-CG2 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 3.49Å; Y49-V52 PolarHBondContact O-N 3.01Å; V52-L55 PolarHBondContact O-N 3.39Å; V52-K56 VanDerWaalsContact O-CB 3.25Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 PolarHBondContact O-N 3.37Å
53S81.5Confident74.9Confident42 Ų42112.3 Ų112.329%0.29454%0.541SS..Hα-helixtrans-66.3-41.7176.8-60.70000111.9Y49 L50 W51 K56 T57Y49-S53 VanDerWaalsContact O-CB 3.29Å; Y49-S53 WeakPolarHBondContact O-CB 3.2Å; Y49-S53 PolarHBondContact O-N 3.31Å; Y49-S53 PolarHBondContact O-OG 2.92Å; L50-S53 PolarHBondContact O-N 3.42Å; W51-S53 VanDerWaalsContact C-N 3.33Å; W51-S53 PolarHBondContact O-N 2.88Å; S53-K56 PolarHBondContact O-N 2.9Å; S53-T57 WeakPolarHBondContact O-CG2 3.37Å; S53-T57 PolarHBondContact O-N 3.49Å; S53-T57 PolarHBondContact O-OG1 2.81Å; S53-T57 VanDerWaalsContact O-OG1 3.1Å
54L79.6Confident73.3Confident86 Ų86111.1 Ų111.145%0.4555%0.55SS..Hα-helixtrans-65-44173.6-167.194.7000111.5L50 W51 K56 T57 I58L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.31Å; W51-L54 PolarHBondContact O-N 3.46Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.4Å; L54-T57 WeakPolarHBondContact CA-OG1 3.33Å; L54-T57 PolarHBondContact O-N 2.89Å; L54-T57 PolarHBondContact O-OG1 2.87Å; L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.95Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.25Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.23Å; L54-I58 PolarHBondContact O-N 3.46Å
55L80.3Confident71.8Confident104 Ų104112.6 Ų112.655%0.54555%0.551SS.*Hα-helixtrans-61.9-41.8176.1-82.7155.3000111W51 V52 I58 F59W51-L55 VanDerWaalsContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CB 3.4Å; W51-L55 WeakPolarHBondContact O-CD1 3.33Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.22Å; V52-L55 PolarHBondContact O-N 3.39Å; L55-I58 PolarHBondContact O-N 2.95Å; L55-F59 VanDerWaalsContact O-CB 3.3Å; L55-F59 WeakPolarHBondContact O-CB 3.35Å; L55-F59 PolarHBondContact O-N 2.89Å
56K73.8Confident70.2Confident156 Ų156114.1 Ų114.168%0.67856%0.559SS**Hα-helixtrans-64.6-44.3178-165.5172.117487.80111.2V52 S53 L54 F59 W60V52-K56 VanDerWaalsContact O-CB 3.25Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 PolarHBondContact O-N 3.37Å; S53-K56 PolarHBondContact O-N 2.9Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.4Å; K56-F59 PolarHBondContact O-N 2.82Å; K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.29Å; K56-W60 PolarHBondContact O-N 3.39Å
57T70.2Confident68.6Low92 Ų92108.9 Ų108.956%0.56456%0.557SS**Hα-helixtrans-64.4-41.1175.850.60000112.7S53 L54 S61S53-T57 WeakPolarHBondContact O-CG2 3.37Å; S53-T57 PolarHBondContact O-N 3.49Å; S53-T57 PolarHBondContact O-OG1 2.81Å; S53-T57 VanDerWaalsContact O-OG1 3.1Å; L54-T57 WeakPolarHBondContact CA-OG1 3.33Å; L54-T57 PolarHBondContact O-N 2.89Å; L54-T57 PolarHBondContact O-OG1 2.87Å; T57-S61 WeakPolarHBondContact O-CB 3.49Å; T57-S61 PolarHBondContact O-N 3.45Å
58I70.5Confident66.9Low90 Ų90108.9 Ų108.946%0.46256%0.564SS.*Hα-helixtrans-65.9-40.3175.7-67166.6000111.6L54 L55 S61 R62L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.95Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.25Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.23Å; L54-I58 PolarHBondContact O-N 3.46Å; L55-I58 PolarHBondContact O-N 2.95Å; I58-S61 WeakPolarHBondContact O-CB 3.3Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-R62 PolarHBondContact O-N 2.83Å
59F59.7Low65.3Low111 Ų111108.2 Ų108.249%0.48756%0.56SS.*Hα-helixtrans-76.1-34.8-178-144.3-97.2000112.2L55 K56 S61 R62 N63L55-F59 VanDerWaalsContact O-CB 3.3Å; L55-F59 WeakPolarHBondContact O-CB 3.35Å; L55-F59 PolarHBondContact O-N 2.89Å; K56-F59 PolarHBondContact O-N 2.82Å; F59-S61 VanDerWaalsContact C-N 3.33Å; F59-R62 PolarHBondContact O-N 3.41Å; F59-R62 VanDerWaalsContact O-N 3.1Å; F59-N63 WeakPolarHBondContact CD1-ND2 3.47Å; F59-N63 VanDerWaalsContact CE1-ND2 3.29Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.29Å; F59-N63 PolarHBondContact O-N 3.02Å
60W52.3Low63.9Low220 Ų220104.6 Ų104.683%0.83355%0.552SS**Hα-helixtrans-66-37.7172-135.140000111.7K56 R62 N63 G64K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.29Å; K56-W60 PolarHBondContact O-N 3.39Å; W60-R62 PolarHBondContact O-N 3.38Å; W60-N63 PolarHBondContact O-N 3.41Å; W60-G64 PolarHBondContact O-N 3.43Å
61S52.6Low62.4Low81 Ų81104.9 Ų104.957%0.56656%0.557SS**Hα-helixtrans-60-24.2170.4155.50000113.6T57 I58 F59T57-S61 WeakPolarHBondContact O-CB 3.49Å; T57-S61 PolarHBondContact O-N 3.45Å; I58-S61 WeakPolarHBondContact O-CB 3.3Å; I58-S61 PolarHBondContact O-N 3.21Å; F59-S61 VanDerWaalsContact C-N 3.33Å
62R49.6Very low60.9Low169 Ų169104.3 Ų104.364%0.63856%0.561SS**Hα-helixtrans-97.9-27.4-177.9-164.7146.473.3-177.95.3113.7I58 F59 W60I58-R62 PolarHBondContact O-N 2.83Å; F59-R62 PolarHBondContact O-N 3.41Å; F59-R62 VanDerWaalsContact O-N 3.1Å; W60-R62 PolarHBondContact O-N 3.38Å
63N47.7Very low59.7Low113 Ų113105.6 Ų105.660%0.60456%0.561SS**Hα-helixtrans-92.7-12.6-177.7-74.37.4000114.4F59 W60F59-N63 WeakPolarHBondContact CD1-ND2 3.47Å; F59-N63 VanDerWaalsContact CE1-ND2 3.29Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.29Å; F59-N63 PolarHBondContact O-N 3.02Å; W60-N63 PolarHBondContact O-N 3.41Å
64G49.5Very low58.7Low60 Ų60111.9 Ų111.962%0.61958%0.579SS**SBendtrans-94.9-2.2-178.900000116.2W60W60-G64 PolarHBondContact O-N 3.43Å
65H50.3Low57.7Low114 Ų114110.4 Ų110.453%0.52858%0.579SS.*SBendtrans-1147.3-164.8-96.4-37.3000117.1T69H65-T69 PolarHBondContact O-OG1 3.42Å
66D49.8Very low56.6Low144 Ų144112.9 Ų112.977%0.7758%0.581SS**SBendtrans-99.9-1.7-171.5-75.7-12.5000115.5
67G52.3Low55.8Low56 Ų56113.3 Ų113.358%0.57758%0.578SS**SBendtrans-109.5-40.1176.900000115.5
68S52.5Low55.2Low77 Ų77112.5 Ų112.554%0.53858%0.576SS.*Hα-helixtrans-85.8-33.5-168.3168.70000113.6Q72S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 3.48Å; S68-Q72 VanDerWaalsContact O-N 3.09Å
69T54.4Low54.7Low66 Ų66113.2 Ų113.241%0.40558%0.581SS.*Hα-helixtrans-70-34.8-179.243.20000112.3H65 Q73H65-T69 PolarHBondContact O-OG1 3.42Å; T69-Q73 WeakPolarHBondContact O-CB 3.3Å; T69-Q73 PolarHBondContact O-N 3.3Å
70D58.1Low54.6Low88 Ų88114.3 Ų114.347%0.47158%0.582SS.*Hα-helixtrans-67-42.3177.1-170.866.1000111.8Q73 R74D70-Q73 PolarHBondContact O-N 2.85Å; D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.38Å; D70-R74 IonicContact OD2-NH1 2.87Å
71V57.2Low54.9Low96 Ų96113.8 Ų113.858%0.58258%0.58SS**Hα-helixtrans-66.6-45.5177.9-178.50000111Q73 R74 A75V71-Q73 VanDerWaalsContact C-N 3.35Å; V71-Q73 PolarHBondContact O-N 2.85Å; V71-R74 PolarHBondContact O-N 3.49Å; V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 2.97Å
72Q54.5Low54.9Low144 Ų144119.3 Ų119.367%0.67359%0.588SS**Hα-helixtrans-66-37.2176.9-70-128.6-3200112.2S68 W76S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 3.48Å; S68-Q72 VanDerWaalsContact O-N 3.09Å; Q72-W76 VanDerWaalsContact O-CB 3.25Å; Q72-W76 WeakPolarHBondContact O-CB 3.25Å; Q72-W76 PolarHBondContact O-N 2.86Å
73Q57.9Low55Low108 Ų108116.2 Ų116.251%0.50558%0.581SS.*Hα-helixtrans-74.6-31.5178.8-167153.2-38.800112.4T69 D70 V71 R77T69-Q73 WeakPolarHBondContact O-CB 3.3Å; T69-Q73 PolarHBondContact O-N 3.3Å; D70-Q73 PolarHBondContact O-N 2.85Å; V71-Q73 VanDerWaalsContact C-N 3.35Å; V71-Q73 PolarHBondContact O-N 2.85Å; Q73-R77 WeakPolarHBondContact O-CB 3.46Å; Q73-R77 WeakPolarHBondContact O-CG 3.22Å; Q73-R77 PolarHBondContact O-N 3.27Å
74R61.1Low55.3Low175 Ų175116.1 Ų116.166%0.6658%0.577SS**Hα-helixtrans-69.7-42.7170.8-174.5176.6-95.7152.3-7.4111.5D70 V71 R77 S78D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.38Å; D70-R74 IonicContact OD2-NH1 2.87Å; V71-R74 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.32Å; R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.87Å
75A57.8Low55.5Low54 Ų54115.8 Ų115.845%0.44657%0.573SS.*Hα-helixtrans-63.3-40.517300000112V71 S78 N79V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 2.97Å; A75-S78 PolarHBondContact O-N 2.85Å; A75-N79 PolarHBondContact O-N 3.37Å
76W56.5Low55.4Low156 Ų156116.6 Ų116.659%0.59158%0.581SS**Hα-helixtrans-67.2-41177.3-169.184.1000112.8Q72 S78 N79 R80Q72-W76 VanDerWaalsContact O-CB 3.25Å; Q72-W76 WeakPolarHBondContact O-CB 3.25Å; Q72-W76 PolarHBondContact O-N 2.86Å; W76-S78 VanDerWaalsContact C-N 3.32Å; W76-S78 PolarHBondContact O-N 2.87Å; W76-N79 PolarHBondContact O-N 3.25Å; W76-R80 WeakPolarHBondContact O-CB 3.41Å; W76-R80 PolarHBondContact O-N 2.94Å
77R57.3Low55.3Low166 Ų166118.4 Ų118.463%0.62658%0.577SS**Hα-helixtrans-64.1-35.6173.8-79.6-175.7-178.3158.30.6112.6Q73 R74 R81Q73-R77 WeakPolarHBondContact O-CB 3.46Å; Q73-R77 WeakPolarHBondContact O-CG 3.22Å; Q73-R77 PolarHBondContact O-N 3.27Å; R74-R77 PolarHBondContact O-N 3.32Å; R77-R81 PolarHBondContact O-N 2.99Å
78S58Low55.1Low75 Ų75120.4 Ų120.452%0.52458%0.582SS.*Hα-helixtrans-67.1-47175.6175.80000112R74 A75 W76 R80 R81 R82R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-N 2.85Å; W76-S78 VanDerWaalsContact C-N 3.32Å; W76-S78 PolarHBondContact O-N 2.87Å; S78-R80 VanDerWaalsContact C-N 3.34Å; S78-R80 PolarHBondContact O-N 3.37Å; S78-R81 PolarHBondContact O-N 2.9Å; S78-R82 PolarHBondContact O-N 3.38Å
79N59.4Low55Low104 Ų104123.7 Ų123.756%0.55659%0.592SS**Hα-helixtrans-68.9-30.3179.4-105.6-30.6000113.4A75 W76 R82 Q83A75-N79 PolarHBondContact O-N 3.37Å; W76-N79 PolarHBondContact O-N 3.25Å; N79-R82 PolarHBondContact O-N 3.5Å; N79-Q83 PolarHBondContact O-N 3.35Å
80R57.1Low54.7Low134 Ų134125.4 Ų125.451%0.50661%0.606SS.*Hα-helixtrans-65.7-41.2176.7-171.4166-178.2167.73112.5W76 S78 Q83 E84W76-R80 WeakPolarHBondContact O-CB 3.41Å; W76-R80 PolarHBondContact O-N 2.94Å; S78-R80 VanDerWaalsContact C-N 3.34Å; S78-R80 PolarHBondContact O-N 3.37Å; R80-Q83 PolarHBondContact O-N 2.86Å; R80-E84 WeakPolarHBondContact CG-OE1 3.3Å; R80-E84 IonicContact NE-OE1 3.45Å; R80-E84 PolarHBondContact NE-OE1 3.46Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 3.4Å
81R58.6Low54.4Low209 Ų209129.5 Ų129.579%0.78962%0.624SS**Hα-helixtrans-66.3-37.2175-72-170.5-178.1-171.80.8112.7R77 S78R77-R81 PolarHBondContact O-N 2.99Å; S78-R81 PolarHBondContact O-N 2.9Å
82R53.7Low53.6Low198 Ų198132.7 Ų132.775%0.74763%0.632SS**Hα-helixtrans-67.9-35.6173.2-92.8-169.1-178.8-176.21.4113.3S78 N79S78-R82 PolarHBondContact O-N 3.38Å; N79-R82 PolarHBondContact O-N 3.5Å
83Q51.4Low53.4Low103 Ų103131.6 Ų131.648%0.48164%0.636SS.*Hα-helixtrans-74.2-29.6176-80.8-141.9-2.200113.6N79 R80 G85 L86 R87N79-Q83 PolarHBondContact O-N 3.35Å; R80-Q83 PolarHBondContact O-N 2.86Å; Q83-G85 PolarHBondContact O-N 3.43Å; Q83-L86 PolarHBondContact O-N 2.85Å; Q83-R87 VanDerWaalsContact O-CB 3.28Å; Q83-R87 WeakPolarHBondContact O-CB 3.33Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.41Å; Q83-R87 PolarHBondContact O-N 2.78Å
84E53.7Low52.4Low111 Ų111135.8 Ų135.852%0.51965%0.652SS.*Hα-helixtrans-65.2-29.3175.5-77.8162.8-174.500112R80R80-E84 WeakPolarHBondContact CG-OE1 3.3Å; R80-E84 IonicContact NE-OE1 3.45Å; R80-E84 PolarHBondContact NE-OE1 3.46Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 3.4Å
85G54.9Low51.7Low53 Ų53137.5 Ų137.555%0.54667%0.665SS.*Hα-helixtrans-77-23.9171.400000115.5Q83Q83-G85 PolarHBondContact O-N 3.43Å
86L47.2Very low51Low131 Ų131145.6 Ų145.669%0.68668%0.683SS**Hα-helixtrans-94.7-18.3177.6-77.7166.5000113.4Q83 S88Q83-L86 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.08Å
87R47.6Very low50.3Low183 Ų183144.4 Ų144.469%0.69169%0.693SS**THydrogen-bonded Turntrans-75.3-11.6-178.4-86.8177.7-179.3-152.9-0.6114.5Q83 I89Q83-R87 VanDerWaalsContact O-CB 3.28Å; Q83-R87 WeakPolarHBondContact O-CB 3.33Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.41Å; Q83-R87 PolarHBondContact O-N 2.78Å; R87-I89 VanDerWaalsContact C-N 3.32Å
88S49.1Very low49.6Very low98 Ų98142.1 Ų142.169%0.68570%0.703SS**THydrogen-bonded Turntrans-80.9-7.2175.854.40000114L86L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.08Å
89I50.2Low49.3Very low146 Ų146142.8 Ų142.875%0.74971%0.707SS**SBendtrans-115-10.7-173-59.2178.4000114.2R87R87-I89 VanDerWaalsContact C-N 3.32Å
90C48.3Very low48.6Very low102 Ų102146.5 Ų146.569%0.68972%0.719SS**  trans-13587.9-176.4-169.90000113.4
91M50.2Low48.2Very low173 Ų173152.5 Ų152.585%0.85274%0.741SS**  trans-93.498.4152.4-82-117.576.500107.8
92H41.6Very low47.7Very low163 Ų163145.1 Ų145.176%0.75573%0.73SS**  trans-152.7113.6150.3-100.9-72.4000111.7
93T50.8Low47.8Very low122 Ų122142.2 Ų142.275%0.74873%0.73SS**  trans38.397.5151.3580000119.1
94K36.6Very low48Very low195 Ų195144.1 Ų144.185%0.84874%0.736SS**  trans-13098.9142.2-87.3-172.8177.4176.20110.2R96K94-R96 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact O-N 3.15Å
95K45.7Very low48.1Very low212 Ų212145 Ų14592%0.92274%0.743SS**  trans-55.5114.1160-83.5-176.4176.7177.50107.5
96R43.3Very low48.2Very low223 Ų223147.2 Ų147.284%0.84275%0.746SS**  trans-97.9108.8164.5-73-169.7178.5-172-0.4107.9K94 S98K94-R96 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact O-N 3.15Å; R96-S98 PolarHBondContact O-N 2.92Å
97V41.1Very low49.2Very low132 Ų132146.1 Ų146.180%0.874%0.74SS**  trans-58.2115.8166.11770000107.4S99V97-S99 PolarHBondContact O-N 3.33Å
98S43.2Very low50.2Low117 Ų117143.8 Ų143.882%0.81874%0.735SS**  trans-99.464.2-176.657.70000111R96 F100R96-S98 PolarHBondContact O-N 2.92Å; S98-F100 PolarHBondContact O-N 3.23Å
99S52.7Low51.2Low89 Ų89143.8 Ų143.862%0.62273%0.728SS**  trans-82103166.853.10000109.1V97V97-S99 PolarHBondContact O-N 3.33Å
100F44.5Very low52.3Low182 Ų182140.9 Ų140.980%0.79872%0.716SS**  trans174.989.8135.7-95.6-71.4000108.6S98S98-F100 PolarHBondContact O-N 3.23Å
101R48Very low53.6Low260 Ų260139.5 Ų139.598%0.98170%0.701SS**  trans-103.858.2178.3-165.9-177.7-170.7-132.84.1109
102G48.5Very low55.1Low54 Ų54135.4 Ų135.456%0.55769%0.686SS**SBendtrans-115-58.5-176.200000114.4
103N54.5Low56.9Low137 Ų137133 Ų13373%0.73368%0.678SS**SBendtrans-112.512.3-165.3-79.75000116.1I105N103-I105 PolarHBondContact O-N 3.46Å
104K55.6Low58.4Low144 Ų144135.3 Ų135.363%0.62667%0.673SS**Hα-helixtrans-75.7-20.9-174.5-68.4-178-175.6174.50114.1K108K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.33Å
105I57.7Low60.6Low128 Ų128134.2 Ų134.266%0.65666%0.664SS**Hα-helixtrans-78.7-55-176.7-60.8170.4000109.4N103 L107 K108 D109N103-I105 PolarHBondContact O-N 3.46Å; I105-L107 PolarHBondContact O-N 2.97Å; I105-K108 PolarHBondContact O-N 3.44Å; I105-K108 VanDerWaalsContact O-N 3.15Å; I105-D109 PolarHBondContact O-N 2.92Å; I105-D109 VanDerWaalsContact O-N 3.08Å
106V56.7Low62.4Low100 Ų100128.4 Ų128.461%0.60664%0.64SS**Hα-helixtrans-59.7-43.2-179.1-176.40000112.6K108 D109 V110V106-K108 PolarHBondContact O-N 2.85Å; V106-D109 PolarHBondContact O-N 3.11Å; V106-V110 HydrophobicContact CG1-CG2 4.5Å; V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.32Å
107L68.6Low64.4Low108 Ų108121.4 Ų121.457%0.56562%0.621SS**Hα-helixtrans-66.6-37.6179.3-176.763.1000112.2I105 D109 I111I105-L107 PolarHBondContact O-N 2.97Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.1Å; L107-I111 WeakPolarHBondContact O-CG1 2.88Å; L107-I111 PolarHBondContact O-N 3.47Å
108K67.3Low66.3Low134 Ų134118.3 Ų118.358%0.58360%0.598SS**Hα-helixtrans-64.3-40.7175.9-78.8175.7-176-175.70110.9K104 I105 V106 I111 T112K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.33Å; I105-K108 PolarHBondContact O-N 3.44Å; I105-K108 VanDerWaalsContact O-N 3.15Å; V106-K108 PolarHBondContact O-N 2.85Å; K108-I111 PolarHBondContact O-N 3.12Å; K108-T112 WeakPolarHBondContact O-CB 3.47Å; K108-T112 PolarHBondContact O-N 3.18Å; K108-T112 PolarHBondContact O-OG1 3.31Å
109D71.1Confident68.5Low99 Ų99116.7 Ų116.753%0.52958%0.584SS.*Hα-helixtrans-68.5-41.1-179.9-65.2-24.7000111.6I105 V106 L107 I111 T112 L113I105-D109 PolarHBondContact O-N 2.92Å; I105-D109 VanDerWaalsContact O-N 3.08Å; V106-D109 PolarHBondContact O-N 3.11Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-I111 PolarHBondContact O-N 3.05Å; D109-T112 PolarHBondContact O-N 3.35Å; D109-L113 VanDerWaalsContact O-CB 3.27Å; D109-L113 WeakPolarHBondContact O-CB 3.27Å; D109-L113 PolarHBondContact O-N 2.67Å
110V71.4Confident70.2Confident85 Ų85118.3 Ų118.352%0.51558%0.579SS.*Hα-helixtrans-63.8-42.5175173.50000111.7V106 T112 R114V106-V110 HydrophobicContact CG1-CG2 4.5Å; V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.32Å; V110-T112 VanDerWaalsContact C-N 3.34Å; V110-R114 WeakPolarHBondContact O-CB 3.31Å; V110-R114 PolarHBondContact O-N 3.4Å
111I77.5Confident72.3Confident72 Ų72113 Ų11337%0.36956%0.562SS.*Hα-helixtrans-66.1-39.6177.1-68.1167000110.8L107 K108 D109 R114 R115L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.1Å; L107-I111 WeakPolarHBondContact O-CG1 2.88Å; L107-I111 PolarHBondContact O-N 3.47Å; K108-I111 PolarHBondContact O-N 3.12Å; D109-I111 PolarHBondContact O-N 3.05Å; I111-R114 PolarHBondContact O-N 2.85Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 VanDerWaalsContact O-CG 3.32Å; I111-R115 WeakPolarHBondContact O-CG 3.23Å; I111-R115 PolarHBondContact O-N 3.27Å
112T80.8Confident74Confident87 Ų87107.8 Ų107.853%0.53454%0.542SS..Hα-helixtrans-68.4-43.1179.6-52.80000110.9K108 D109 V110 R115 H116K108-T112 WeakPolarHBondContact O-CB 3.47Å; K108-T112 PolarHBondContact O-N 3.18Å; K108-T112 PolarHBondContact O-OG1 3.31Å; D109-T112 PolarHBondContact O-N 3.35Å; V110-T112 VanDerWaalsContact C-N 3.34Å; T112-R115 PolarHBondContact O-N 2.82Å; T112-H116 WeakPolarHBondContact O-CB 3.06Å; T112-H116 PolarHBondContact O-N 3.14Å
113L78.3Confident75.7Confident113 Ų113107.4 Ų107.459%0.59253%0.534SS*.Hα-helixtrans-62.8-44.8175.5-172.765.1000111.4D109 R115 H116 V117D109-L113 VanDerWaalsContact O-CB 3.27Å; D109-L113 WeakPolarHBondContact O-CB 3.27Å; D109-L113 PolarHBondContact O-N 2.67Å; L113-R115 PolarHBondContact O-N 3.47Å; L113-H116 PolarHBondContact O-N 3.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.26Å
114R84.1Confident77.1Confident170 Ų170108.5 Ų108.564%0.64253%0.532SS*.Hα-helixtrans-57.8-47.7174.8-179.1-178.1168.4-171.90.6111.4V110 I111 H116 V117 E118V110-R114 WeakPolarHBondContact O-CB 3.31Å; V110-R114 PolarHBondContact O-N 3.4Å; I111-R114 PolarHBondContact O-N 2.85Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.4Å; R114-V117 PolarHBondContact O-N 3.14Å; R114-E118 IonicContact CZ-OE1 3.17Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 3.47Å; R114-E118 IonicContact NH2-OE1 3.63Å; R114-E118 PolarHBondContact NH2-OE1 3.38Å; R114-E118 WeakPolarHBondContact O-CB 3.37Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.81Å
115R82.8Confident78.3Confident173 Ų173106.6 Ų106.665%0.65353%0.528SS*.Hα-helixtrans-61.2-42177.8-75.8176.4177.5-177.30.3111.9I111 T112 L113 E118 T119I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 VanDerWaalsContact O-CG 3.32Å; I111-R115 WeakPolarHBondContact O-CG 3.23Å; I111-R115 PolarHBondContact O-N 3.27Å; T112-R115 PolarHBondContact O-N 2.82Å; L113-R115 PolarHBondContact O-N 3.47Å; R115-E118 PolarHBondContact O-N 3.39Å; R115-T119 WeakPolarHBondContact O-CG2 3.42Å; R115-T119 PolarHBondContact O-N 2.86Å; R115-T119 PolarHBondContact O-OG1 3.28Å
116H82.6Confident79.3Confident90 Ų90109.4 Ų109.442%0.41753%0.53SS..Hα-helixtrans-66.3-39.4178.5174.5-103.2000112.8T112 L113 R114 T119 K120T112-H116 WeakPolarHBondContact O-CB 3.06Å; T112-H116 PolarHBondContact O-N 3.14Å; L113-H116 PolarHBondContact O-N 3.46Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.4Å; H116-T119 PolarHBondContact O-OG1 2.93Å; H116-K120 VanDerWaalsContact CE1-CE 3.4Å; H116-K120 WeakPolarHBondContact CE1-CE 3.29Å; H116-K120 VanDerWaalsContact NE2-CE 3.31Å; H116-K120 WeakPolarHBondContact NE2-CE 3.34Å; H116-K120 PolarHBondContact O-N 3.14Å; H116-K120 VanDerWaalsContact O-N 3.1Å
117V85.6Confident80.3Confident75 Ų75112.1 Ų112.146%0.45553%0.534SS..Hα-helixtrans-67.7-43.8174.4174.10000110.5L113 R114 T119 K120 V121L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.26Å; R114-V117 PolarHBondContact O-N 3.14Å; V117-T119 PolarHBondContact O-N 3.47Å; V117-K120 PolarHBondContact O-N 3.15Å; V117-V121 HydrophobicContact CG1-CG2 4.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.28Å; V117-V121 PolarHBondContact O-N 2.86Å
118E81.5Confident80.5Confident67 Ų67116.2 Ų116.231%0.31354%0.542SS..Hα-helixtrans-60.6-41.2177.3-77.8-175.8-167.400112.2R114 R115 V121 R122R114-E118 IonicContact CZ-OE1 3.17Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 3.47Å; R114-E118 IonicContact NH2-OE1 3.63Å; R114-E118 PolarHBondContact NH2-OE1 3.38Å; R114-E118 WeakPolarHBondContact O-CB 3.37Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.81Å; R115-E118 PolarHBondContact O-N 3.39Å; E118-V121 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 2.88Å; E118-R122 IonicContact OE2-NH2 3.18Å
119T88.6Confident80.6Confident83 Ų83117.4 Ų117.451%0.50955%0.547SS..Hα-helixtrans-67.4-41.2176.455.50000111.9R115 H116 V117 R122 A123R115-T119 WeakPolarHBondContact O-CG2 3.42Å; R115-T119 PolarHBondContact O-N 2.86Å; R115-T119 PolarHBondContact O-OG1 3.28Å; H116-T119 PolarHBondContact O-OG1 2.93Å; V117-T119 PolarHBondContact O-N 3.47Å; T119-R122 PolarHBondContact O-N 3.38Å; T119-A123 VanDerWaalsContact O-CB 3.3Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.05Å
120K87.8Confident80.5Confident123 Ų123116.8 Ų116.854%0.53555%0.546SS..Hα-helixtrans-61.9-43.1174.4-81.3-168.1173.5-179.30112.3H116 V117 A123 K124H116-K120 VanDerWaalsContact CE1-CE 3.4Å; H116-K120 WeakPolarHBondContact CE1-CE 3.29Å; H116-K120 VanDerWaalsContact NE2-CE 3.31Å; H116-K120 WeakPolarHBondContact NE2-CE 3.34Å; H116-K120 PolarHBondContact O-N 3.14Å; H116-K120 VanDerWaalsContact O-N 3.1Å; V117-K120 PolarHBondContact O-N 3.15Å; K120-A123 PolarHBondContact O-N 3.46Å; K120-K124 WeakPolarHBondContact O-CG 3.43Å; K120-K124 PolarHBondContact O-N 3.43Å
121V88.8Confident79.9Confident72 Ų72116.1 Ų116.144%0.43654%0.543SS..Hα-helixtrans-65.8-45.7176.9171.80000110.5V117 E118 A123 K124 I125V117-V121 HydrophobicContact CG1-CG2 4.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.28Å; V117-V121 PolarHBondContact O-N 2.86Å; E118-V121 PolarHBondContact O-N 2.96Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; V121-K124 PolarHBondContact O-N 2.96Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.45Å
122R83.6Confident79.1Confident150 Ų150116.8 Ų116.857%0.56655%0.55SS**Hα-helixtrans-61-40.2175.7-73.7175.2-173.2-1604.6112.2E118 T119 I125 R126E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 2.88Å; E118-R122 IonicContact OE2-NH2 3.18Å; T119-R122 PolarHBondContact O-N 3.38Å; R122-I125 PolarHBondContact O-N 2.84Å; R122-R126 WeakPolarHBondContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CG 3.31Å; R122-R126 PolarHBondContact O-N 3.32Å
123A84.7Confident78Confident46 Ų46119.4 Ų119.438%0.3855%0.554SS.*Hα-helixtrans-64.7-42.3175.600000111.6T119 K120 V121 R126 K127T119-A123 VanDerWaalsContact O-CB 3.3Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.05Å; K120-A123 PolarHBondContact O-N 3.46Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; A123-R126 PolarHBondContact O-N 3.4Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.38Å
124K83.4Confident77Confident160 Ų160119.3 Ų119.370%0.69655%0.553SS**Hα-helixtrans-63-42.8173.4-77.5-177.7177.3-175.90112.2K120 V121 K127 R128K120-K124 WeakPolarHBondContact O-CG 3.43Å; K120-K124 PolarHBondContact O-N 3.43Å; V121-K124 PolarHBondContact O-N 2.96Å; K124-K127 PolarHBondContact O-N 3.24Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.45Å; K124-R128 PolarHBondContact O-N 2.86Å
125I81.3Confident75.6Confident104 Ų104116.8 Ų116.853%0.53355%0.552SS.*Hα-helixtrans-63.6-44.7176.1-68.2167.5000110.6V121 R122 R128 K129V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.45Å; R122-I125 PolarHBondContact O-N 2.84Å; I125-R128 PolarHBondContact O-N 2.96Å; I125-K129 VanDerWaalsContact O-CB 3.29Å; I125-K129 WeakPolarHBondContact O-CB 3.37Å; I125-K129 PolarHBondContact O-N 2.9Å
126R79.1Confident74.3Confident186 Ų186114.4 Ų114.470%0.70255%0.548SS*.Hα-helixtrans-61.8-47.4175.7-75.6177.9-179.7-179-0.9111.5R122 A123 R128 K129 V130R122-R126 WeakPolarHBondContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CG 3.31Å; R122-R126 PolarHBondContact O-N 3.32Å; A123-R126 PolarHBondContact O-N 3.4Å; R126-R128 PolarHBondContact O-N 3.37Å; R126-K129 PolarHBondContact O-N 3.45Å; R126-V130 WeakPolarHBondContact O-CB 3.28Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 2.91Å
127K77Confident72.9Confident157 Ų157117 Ų11768%0.68356%0.561SS**Hα-helixtrans-57.7-48.2174.9-76.5-174178.4-169.60111.2A123 K124 K129 V130 T131A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.38Å; K124-K127 PolarHBondContact O-N 3.24Å; K127-K129 PolarHBondContact O-N 3.06Å; K127-V130 PolarHBondContact O-N 3.46Å; K127-T131 WeakPolarHBondContact O-CG2 3.22Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.18Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å
128R72.8Confident71.3Confident194 Ų194119 Ų11973%0.73257%0.568SS**Hα-helixtrans-61.4-43177.4-166.4177.1-175.6-160.11.1112.1K124 I125 R126 T131 T132K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.45Å; K124-R128 PolarHBondContact O-N 2.86Å; I125-R128 PolarHBondContact O-N 2.96Å; R126-R128 PolarHBondContact O-N 3.37Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.48Å; R128-T131 PolarHBondContact O-N 3.37Å; R128-T131 PolarHBondContact O-OG1 3.14Å; R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 3.5Å; R128-T132 PolarHBondContact O-OG1 3.33Å
129K70.7Confident70.1Confident160 Ų160123.6 Ų123.670%0.69659%0.587SS**Hα-helixtrans-65.6-39.8177.4-166.8175.8-175.9179.40111.7I125 R126 K127 T132 K133I125-K129 VanDerWaalsContact O-CB 3.29Å; I125-K129 WeakPolarHBondContact O-CB 3.37Å; I125-K129 PolarHBondContact O-N 2.9Å; R126-K129 PolarHBondContact O-N 3.45Å; K127-K129 PolarHBondContact O-N 3.06Å; K129-T132 PolarHBondContact O-N 3.1Å; K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 PolarHBondContact O-N 3.49Å
130V68Low68.5Low85 Ų85126.7 Ų126.752%0.51560%0.599SS.*Hα-helixtrans-64.6-46.6174.2169.70000110.6R126 K127 T132 K133 I134R126-V130 WeakPolarHBondContact O-CB 3.28Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 2.91Å; K127-V130 PolarHBondContact O-N 3.46Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 3.05Å; V130-K133 PolarHBondContact O-N 3.12Å; V130-K133 VanDerWaalsContact O-N 3.14Å; V130-I134 HydrophobicContact CG1-CD1 3.75Å; V130-I134 HydrophobicContact CG1-CG1 4.4Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.4Å; V130-I134 PolarHBondContact O-N 3.2Å
131T59.3Low66.8Low72 Ų72125.8 Ų125.844%0.44260%0.6SS.*Hα-helixtrans-64.9-36.9176.653.90000112.4K127 R128 K133 I134 N135K127-T131 WeakPolarHBondContact O-CG2 3.22Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.18Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.48Å; R128-T131 PolarHBondContact O-N 3.37Å; R128-T131 PolarHBondContact O-OG1 3.14Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-I134 PolarHBondContact O-N 3.19Å; T131-N135 WeakPolarHBondContact O-CB 3.46Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.94Å
132T60.8Low65.1Low85 Ų85125.3 Ų125.352%0.52161%0.61SS.*Hα-helixtrans-66.8-35.5173.9-56.90000111.5R128 K129 V130 N135 H136R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 3.5Å; R128-T132 PolarHBondContact O-OG1 3.33Å; K129-T132 PolarHBondContact O-N 3.1Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 3.05Å; T132-N135 PolarHBondContact O-N 3.39Å; T132-H136 PolarHBondContact O-N 3.44Å; T132-H136 VanDerWaalsContact O-N 3.15Å
133K57.2Low63.6Low143 Ų143126.8 Ų126.862%0.62262%0.621SS**Hα-helixtrans-71.9-38.7176.3-158-177179.2-170.80111.9K129 V130 T131 N135 H136 H137K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 PolarHBondContact O-N 3.49Å; V130-K133 PolarHBondContact O-N 3.12Å; V130-K133 VanDerWaalsContact O-N 3.14Å; T131-K133 VanDerWaalsContact C-N 3.32Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-H136 PolarHBondContact O-N 3.44Å; K133-H137 PolarHBondContact O-N 3.2Å
134I57.1Low62.1Low110 Ų110134 Ų13456%0.56464%0.638SS**Hα-helixtrans-60.1-44.3171.6-67.7165.2000109.8V130 T131 H136 H137V130-I134 HydrophobicContact CG1-CD1 3.75Å; V130-I134 HydrophobicContact CG1-CG1 4.4Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.4Å; V130-I134 PolarHBondContact O-N 3.2Å; T131-I134 PolarHBondContact O-N 3.19Å; I134-H136 PolarHBondContact O-N 3.07Å; I134-H137 PolarHBondContact O-N 3.37Å
135N55.1Low60.7Low117 Ų117133 Ų13363%0.62663%0.634SS**THydrogen-bonded Turntrans-66.3-15.2174-75.6-25.9000114.4T131 T132 K133T131-N135 WeakPolarHBondContact O-CB 3.46Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.94Å; T132-N135 PolarHBondContact O-N 3.39Å; K133-N135 VanDerWaalsContact C-N 3.33Å
136H55.8Low59.7Low124 Ų124130.9 Ų130.957%0.57463%0.628SS**THydrogen-bonded Turntrans-87.9-21176-161.77.5000112.9T132 K133 I134 D138T132-H136 PolarHBondContact O-N 3.44Å; T132-H136 VanDerWaalsContact O-N 3.15Å; K133-H136 PolarHBondContact O-N 3.44Å; I134-H136 PolarHBondContact O-N 3.07Å; H136-D138 VanDerWaalsContact C-N 3.3Å; H136-D138 PolarHBondContact O-N 2.88Å
137H52.4Low59.1Low145 Ų145124 Ų12467%0.67161%0.611SS**SBendtrans-80.4-4.6175.8-84.7-79.7000114.1K133 I134 K139K133-H137 PolarHBondContact O-N 3.2Å; I134-H137 PolarHBondContact O-N 3.37Å; H137-K139 PolarHBondContact O-N 3.37Å
138D52.6Low58.9Low116 Ų116125.4 Ų125.462%0.6261%0.612SS**  trans-77.553.4167.2-83.7-9.9000112.7H136H136-D138 VanDerWaalsContact C-N 3.3Å; H136-D138 PolarHBondContact O-N 2.88Å
139K55.3Low59.1Low164 Ų164123.2 Ų123.271%0.71361%0.608SS**  trans-99.536.9168-92.4-170.9174179.80112.1H137H137-K139 PolarHBondContact O-N 3.37Å
140I55Low59.3Low148 Ų148121.7 Ų121.776%0.75960%0.603SS**  trans-134.385158.4-62.595.9000109.8
141N53.5Low60.2Low103 Ų103124.2 Ų124.255%0.55161%0.607SS**  trans-175.161.6143-97-32.2000109.2K143 R144 K145N141-K143 PolarHBondContact O-N 3.46Å; N141-K143 VanDerWaalsContact O-N 3.13Å; N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.13Å; N141-R144 VanDerWaalsContact O-N 3.13Å; N141-K145 PolarHBondContact O-N 3.31Å
142G51.4Low61.5Low63 Ų63126 Ų12665%0.64961%0.612SS**Hα-helixtrans-53.2-30.8175.900000113S146G142-S146 PolarHBondContact O-N 2.85Å; G142-S146 PolarHBondContact O-OG 3.44Å
143K52.9Low62.7Low181 Ų181128.1 Ų128.179%0.78761%0.614SS**Hα-helixtrans-69.6-33.9178.1-66.4-174178.7-177.80114.4N141 S146 A147N141-K143 PolarHBondContact O-N 3.46Å; N141-K143 VanDerWaalsContact O-N 3.13Å; K143-S146 PolarHBondContact O-OG 2.9Å; K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3Å
144R52.8Low64.1Low198 Ų198127 Ų12775%0.74761%0.611SS**Hα-helixtrans-80.5-32.8-178.4-156174.8-170.8165.32.5112N141 R148N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.13Å; N141-R144 VanDerWaalsContact O-N 3.13Å; R144-R148 WeakPolarHBondContact O-CB 3.49Å; R144-R148 PolarHBondContact O-N 3.47Å
145K53.8Low65.7Low139 Ų139130.9 Ų130.960%0.60462%0.619SS**Hα-helixtrans-72.7-37.4175.6-70.7-178.3-179170.90111.8N141 K149N141-K145 PolarHBondContact O-N 3.31Å; K145-K149 WeakPolarHBondContact O-CB 3.41Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.36Å; K145-K149 PolarHBondContact O-N 3.06Å
146S60.8Low67.2Low59 Ų59128 Ų12841%0.41361%0.611SS.*Hα-helixtrans-67.5-45.1173.258.30000111.9G142 K143 R148 K149 Q150G142-S146 PolarHBondContact O-N 2.85Å; G142-S146 PolarHBondContact O-OG 3.44Å; K143-S146 PolarHBondContact O-OG 2.9Å; S146-R148 PolarHBondContact O-N 2.95Å; S146-K149 PolarHBondContact O-N 3.44Å; S146-Q150 WeakPolarHBondContact O-CB 3.31Å; S146-Q150 PolarHBondContact O-N 3.44Å
147A67.8Low68.8Low42 Ų42126.3 Ų126.335%0.34760%0.604SS.*Hα-helixtrans-62.2-41.3177.300000112.7K143 Q150 K151K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3Å; A147-Q150 PolarHBondContact O-N 3.44Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 WeakPolarHBondContact O-CG 3.33Å; A147-K151 PolarHBondContact O-N 3.24Å
148R72.8Confident70.7Confident186 Ų186124.3 Ų124.370%0.70259%0.594SS**Hα-helixtrans-67.8-38.3176.1-167.6177.3-179.4176.8-1.2111.9R144 S146 K151 M152R144-R148 WeakPolarHBondContact O-CB 3.49Å; R144-R148 PolarHBondContact O-N 3.47Å; S146-R148 PolarHBondContact O-N 2.95Å; R148-K151 PolarHBondContact O-N 3.48Å; R148-M152 HydrophobicContact CG-CE 4.28Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 2.89Å
149K75.4Confident72.5Confident147 Ų147124.3 Ų124.364%0.63959%0.594SS**Hα-helixtrans-65.8-43.7174.2-80-176.8175.3-170.70112K145 S146 K151 M152 F153K145-K149 WeakPolarHBondContact O-CB 3.41Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.36Å; K145-K149 PolarHBondContact O-N 3.06Å; S146-K149 PolarHBondContact O-N 3.44Å; K149-K151 PolarHBondContact O-N 3.13Å; K149-M152 HydrophobicContact CG-CE 4.33Å; K149-M152 PolarHBondContact O-N 3.23Å; K149-F153 WeakPolarHBondContact O-CB 3.37Å; K149-F153 PolarHBondContact O-N 2.82Å
150Q75.4Confident73.9Confident128 Ų128124.7 Ų124.760%0.59859%0.591SS**Hα-helixtrans-60.5-43.7174-85.2177.1-23.900111.8S146 A147 M152 F153 Q154S146-Q150 WeakPolarHBondContact O-CB 3.31Å; S146-Q150 PolarHBondContact O-N 3.44Å; A147-Q150 PolarHBondContact O-N 3.44Å; Q150-M152 PolarHBondContact O-N 2.87Å; Q150-F153 PolarHBondContact O-N 3.49Å; Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 WeakPolarHBondContact O-CG 3.36Å; Q150-Q154 PolarHBondContact O-N 3.24Å
151K86.3Confident75.3Confident139 Ų139125.7 Ų125.760%0.60459%0.585SS**Hα-helixtrans-62.2-39.2174.8-75.6-177.2-179.8-171.80112.9A147 R148 K149 R155A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 WeakPolarHBondContact O-CG 3.33Å; A147-K151 PolarHBondContact O-N 3.24Å; R148-K151 PolarHBondContact O-N 3.48Å; K149-K151 PolarHBondContact O-N 3.13Å; K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.35Å; K151-R155 PolarHBondContact O-N 3.26Å
152M88.2Confident76.9Confident108 Ų108128.1 Ų128.153%0.53259%0.586SS.*Hα-helixtrans-68.1-38.8174.9-74.2-173.5-65.500111.9R148 K149 Q150 R155 A156R148-M152 HydrophobicContact CG-CE 4.28Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 2.89Å; K149-M152 HydrophobicContact CG-CE 4.33Å; K149-M152 PolarHBondContact O-N 3.23Å; Q150-M152 PolarHBondContact O-N 2.87Å; M152-R155 PolarHBondContact O-N 3.42Å; M152-A156 WeakPolarHBondContact O-CB 3.33Å; M152-A156 PolarHBondContact O-N 3.21Å
153F84.3Confident78.3Confident130 Ų130128 Ų12857%0.5758%0.579SS**Hα-helixtrans-66-44.3176.4-172.6-103.5000112.1K149 Q150 A156 Q157K149-F153 WeakPolarHBondContact O-CB 3.37Å; K149-F153 PolarHBondContact O-N 2.82Å; Q150-F153 PolarHBondContact O-N 3.49Å; F153-A156 PolarHBondContact O-N 3Å; F153-Q157 HydrophobicContact CD1-CG 4.48Å; F153-Q157 HydrophobicContact CE1-CG 4.22Å; F153-Q157 HydrophobicContact CZ-CG 4.46Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 2.77Å
154Q86.8Confident79.6Confident121 Ų121123.5 Ų123.557%0.56556%0.561SS**Hα-helixtrans-60.2-45.4173.2-75175.3-16.100111.6Q150 A156 Q157 E158Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 WeakPolarHBondContact O-CG 3.36Å; Q150-Q154 PolarHBondContact O-N 3.24Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.16Å; Q154-Q157 PolarHBondContact O-N 3.04Å; Q154-E158 PolarHBondContact O-N 3.37Å
155R90.4Very high81Confident190 Ų190117.8 Ų117.872%0.71755%0.545SS*.Hα-helixtrans-62-39.9175.2-79.1-177.2179-167.2-1.6112.8K151 M152 E158 L159K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.35Å; K151-R155 PolarHBondContact O-N 3.26Å; M152-R155 PolarHBondContact O-N 3.42Å; R155-E158 PolarHBondContact O-N 3.04Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.42Å; R155-L159 PolarHBondContact O-N 3.19Å
156A88.6Confident81.9Confident56 Ų56118 Ų11846%0.46354%0.543SS..Hα-helixtrans-65.4-40.5176.400000111.6M152 F153 Q154 R160M152-A156 WeakPolarHBondContact O-CB 3.33Å; M152-A156 PolarHBondContact O-N 3.21Å; F153-A156 PolarHBondContact O-N 3Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.16Å; A156-R160 WeakPolarHBondContact O-CB 3.16Å; A156-R160 PolarHBondContact O-N 2.91Å
157Q89.4Confident82.3Confident90 Ų90120.4 Ų120.442%0.42155%0.548SS..Hα-helixtrans-64.1-39.3173.6-76-173.2-23.700112.3F153 Q154 R160 R161F153-Q157 HydrophobicContact CD1-CG 4.48Å; F153-Q157 HydrophobicContact CE1-CG 4.22Å; F153-Q157 HydrophobicContact CZ-CG 4.46Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 2.77Å; Q154-Q157 PolarHBondContact O-N 3.04Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.49Å; Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.43Å
158E90.7Very high82.3Confident103 Ų103122.9 Ų122.948%0.48155%0.551SS.*Hα-helixtrans-71.3-39178.5-172.8156.5163.900112.7Q154 R155 R160 R161 R162Q154-E158 PolarHBondContact O-N 3.37Å; R155-E158 PolarHBondContact O-N 3.04Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 2.92Å; E158-R161 PolarHBondContact O-N 3.09Å; E158-R162 WeakPolarHBondContact O-CG 3.01Å; E158-R162 PolarHBondContact O-N 3.25Å; E158-R162 IonicContact OE1-CZ 3.45Å; E158-R162 IonicContact OE1-NE 3.97Å; E158-R162 IonicContact OE1-NH2 3.61Å; E158-R162 PolarHBondContact OE1-NH2 3.45Å
159L90.3Very high82.1Confident116 Ų116119.5 Ų119.561%0.60755%0.554SS**Hα-helixtrans-60.1-39.5170.7-73.9171.6000111.6R155 R162 A163R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.42Å; R155-L159 PolarHBondContact O-N 3.19Å; L159-R162 PolarHBondContact O-N 3.27Å; L159-A163 WeakPolarHBondContact O-CB 3.25Å; L159-A163 PolarHBondContact O-N 3.04Å
160R85.4Confident81.9Confident172 Ų172119 Ų11965%0.64955%0.552SS**Hα-helixtrans-63.1-46.2175-175.3178.1175.1163.34.3111.8A156 Q157 E158 R162 A163 E164A156-R160 WeakPolarHBondContact O-CB 3.16Å; A156-R160 PolarHBondContact O-N 2.91Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.49Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 2.92Å; R160-R162 PolarHBondContact O-N 3.13Å; R160-A163 PolarHBondContact O-N 3.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact NE-OE1 3.57Å; R160-E164 PolarHBondContact NE-OE1 3.34Å; R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.49Å
161R85.4Confident81.5Confident169 Ų169114.5 Ų114.564%0.63853%0.532SS*.Hα-helixtrans-60.1-44.1175.2-73.3-179.7-178.7178.20.1111.8Q157 E158 A163 E164 D165Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.43Å; E158-R161 PolarHBondContact O-N 3.09Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.75Å; R161-E164 PolarHBondContact O-N 2.92Å; R161-D165 WeakPolarHBondContact O-CB 3.37Å; R161-D165 VanDerWaalsContact O-CG 3.29Å; R161-D165 PolarHBondContact O-N 3Å
162R85.4Confident80.8Confident153 Ų153111.2 Ų111.258%0.57753%0.525SS*.Hα-helixtrans-63.3-38176.2-71.2-178.6-168.1176.93.6112.9E158 L159 R160 D165 Y166E158-R162 WeakPolarHBondContact O-CG 3.01Å; E158-R162 PolarHBondContact O-N 3.25Å; E158-R162 IonicContact OE1-CZ 3.45Å; E158-R162 IonicContact OE1-NE 3.97Å; E158-R162 IonicContact OE1-NH2 3.61Å; E158-R162 PolarHBondContact OE1-NH2 3.45Å; L159-R162 PolarHBondContact O-N 3.27Å; R160-R162 PolarHBondContact O-N 3.13Å; R162-D165 PolarHBondContact O-N 3.11Å; R162-Y166 VanDerWaalsContact O-CB 3.25Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.28Å
163A81.7Confident79.8Confident61 Ų61111.1 Ų111.150%0.50453%0.532SS..Hα-helixtrans-67.2-41.6175.200000111.7L159 R160 R161 Y166 H167L159-A163 WeakPolarHBondContact O-CB 3.25Å; L159-A163 PolarHBondContact O-N 3.04Å; R160-A163 PolarHBondContact O-N 3.06Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.75Å; A163-Y166 PolarHBondContact O-N 2.85Å; A163-H167 WeakPolarHBondContact O-CB 3.42Å; A163-H167 PolarHBondContact O-N 3.35Å
164E79.4Confident78.9Confident86 Ų86109.4 Ų109.440%0.40254%0.537SS..Hα-helixtrans-63.4-41.7174.5-73.1172.3-165.300111.4R160 R161 H167 K168R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact NE-OE1 3.57Å; R160-E164 PolarHBondContact NE-OE1 3.34Å; R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.49Å; R161-E164 PolarHBondContact O-N 2.92Å; E164-H167 PolarHBondContact O-N 2.95Å; E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.93Å
165D82.3Confident77.9Confident78 Ų78105.4 Ų105.442%0.41752%0.524SS..Hα-helixtrans-70.7-37.4177.5-68.9-21.9000112R161 R162 H167 K168 C169R161-D165 WeakPolarHBondContact O-CB 3.37Å; R161-D165 VanDerWaalsContact O-CG 3.29Å; R161-D165 PolarHBondContact O-N 3Å; R162-D165 PolarHBondContact O-N 3.11Å; D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 3.25Å; D165-K168 WeakPolarHBondContact O-CB 3.42Å; D165-K168 PolarHBondContact O-N 3.44Å; D165-K168 IonicContact OD1-NZ 3.29Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 2.93Å; D165-C169 PolarHBondContact O-SG 3.47Å
166Y73.9Confident76.8Confident144 Ų144100.9 Ų100.957%0.56551%0.507SS*.Hα-helixtrans-60.9-42.6171-177.8-100.8000112R162 A163 C169 K170R162-Y166 VanDerWaalsContact O-CB 3.25Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.28Å; A163-Y166 PolarHBondContact O-N 2.85Å; Y166-C169 PolarHBondContact O-N 3.43Å; Y166-K170 HydrophobicContact CD1-CD 4.25Å; Y166-K170 HydrophobicContact CE1-CD 3.56Å; Y166-K170 HydrophobicContact CE1-CG 4.32Å; Y166-K170 HydrophobicContact CE2-CD 4.37Å; Y166-K170 WeakPolarHBondContact O-CB 3.39Å; Y166-K170 PolarHBondContact O-N 3.41Å; Y166-K170 WeakPolarHBondContact OH-CE 3.46Å; Y166-K170 PolarHBondContact OH-NZ 3.26Å
167H68.9Low75.9Confident110 Ų110105.6 Ų105.651%0.50952%0.517SS..Hα-helixtrans-65.9-38.5175.7-17172.1000111.9A163 E164 D165 I171A163-H167 WeakPolarHBondContact O-CB 3.42Å; A163-H167 PolarHBondContact O-N 3.35Å; E164-H167 PolarHBondContact O-N 2.95Å; D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 3.25Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.38Å; H167-I171 WeakPolarHBondContact O-CG1 3.44Å; H167-I171 PolarHBondContact O-N 2.95Å
168K66.8Low74.9Confident93 Ų93104.2 Ų104.240%0.40452%0.521SS..Hα-helixtrans-61.8-49.7171.5-72.9171.8-166.8162.40110.8E164 D165 K170 I171 R176E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.93Å; D165-K168 WeakPolarHBondContact O-CB 3.42Å; D165-K168 PolarHBondContact O-N 3.44Å; D165-K168 IonicContact OD1-NZ 3.29Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 2.9Å; K168-I171 PolarHBondContact O-N 3.41Å; K168-R176 VanDerWaalsContact CB-NH2 3.33Å; K168-R176 PolarHBondContact O-NH2 3.24Å
169C69.4Low73.9Confident115 Ų115103.8 Ų103.878%0.77752%0.522SS*.Hα-helixtrans-67.9-28.1-177.3-66.10000113.4D165 Y166D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 2.93Å; D165-C169 PolarHBondContact O-SG 3.47Å; Y166-C169 PolarHBondContact O-N 3.43Å
170K70.8Confident72.7Confident136 Ų136102 Ų10259%0.59152%0.518SS*.Hα-helixtrans-81-25.4177-88.3-163.5163.8-176.60115Y166 K168Y166-K170 HydrophobicContact CD1-CD 4.25Å; Y166-K170 HydrophobicContact CE1-CD 3.56Å; Y166-K170 HydrophobicContact CE1-CG 4.32Å; Y166-K170 HydrophobicContact CE2-CD 4.37Å; Y166-K170 WeakPolarHBondContact O-CB 3.39Å; Y166-K170 PolarHBondContact O-N 3.41Å; Y166-K170 WeakPolarHBondContact OH-CE 3.46Å; Y166-K170 PolarHBondContact OH-NZ 3.26Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 2.9Å
171I67.1Low72.1Confident34 Ų3498 Ų9817%0.17451%0.509CS..SBendtrans-104.4113.8-178.9-55.6-174.2000109.4H167 K168 A175 R176H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.38Å; H167-I171 WeakPolarHBondContact O-CG1 3.44Å; H167-I171 PolarHBondContact O-N 2.95Å; K168-I171 PolarHBondContact O-N 3.41Å; I171-A175 HydrophobicContact CG2-CB 3.72Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.33Å; I171-R176 VanDerWaalsContact O-NE 3.16Å; I171-R176 PolarHBondContact O-NH2 3.01Å
172P71.6Confident71.5Confident71 Ų7198.5 Ų98.546%0.46151%0.512SS..  trans-59.1146.2177.721.6-29.1000110.2S174 A175 R176P172-S174 PolarHBondContact O-N 2.9Å; P172-A175 HydrophobicContact CG-CB 3.86Å; P172-A175 PolarHBondContact O-N 2.85Å; P172-R176 PolarHBondContact O-N 3.35Å
173P67Low70.9Confident106 Ų10695 Ų9569%0.68851%0.507SS*.Hα-helixtrans-52.6-33.8-175.5-27.433.9000114R176 K177P173-R176 PolarHBondContact O-N 2.89Å; P173-K177 PolarHBondContact O-N 3.26Å
174S66.3Low70.3Confident94 Ų94101.2 Ų101.266%0.65752%0.517SS*.Hα-helixtrans-63.8-43.2175.753.10000113.1P172 R176 K177 A178P172-S174 PolarHBondContact O-N 2.9Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.33Å; S174-K177 PolarHBondContact O-N 2.92Å; S174-A178 PolarHBondContact O-N 3.41Å
175A66.2Low69.7Low37 Ų37103 Ų10331%0.30653%0.527SS..Hα-helixtrans-70.9-28.4178.900000112.6I171 P172 K177 A178 L179I171-A175 HydrophobicContact CG2-CB 3.72Å; P172-A175 HydrophobicContact CG-CB 3.86Å; P172-A175 PolarHBondContact O-N 2.85Å; A175-K177 VanDerWaalsContact C-N 3.35Å; A175-A178 PolarHBondContact O-N 3.17Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 2.87Å
176R67.3Low68.8Low95 Ų95101.1 Ų101.136%0.35852%0.522SS..Hα-helixtrans-64.9-39173-60.7-169.4-156.5157.912.7112.1K168 I171 P172 P173 S174 L179 C180K168-R176 VanDerWaalsContact CB-NH2 3.33Å; K168-R176 PolarHBondContact O-NH2 3.24Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.33Å; I171-R176 VanDerWaalsContact O-NE 3.16Å; I171-R176 PolarHBondContact O-NH2 3.01Å; P172-R176 PolarHBondContact O-N 3.35Å; P173-R176 PolarHBondContact O-N 2.89Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.33Å; R176-L179 PolarHBondContact O-N 3.23Å; R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 2.81Å; R176-C180 PolarHBondContact O-SG 2.85Å; R176-C180 VanDerWaalsContact O-SG 3.37Å
177K68.8Low68.2Low154 Ų15496.3 Ų96.367%0.6751%0.512SS*.Hα-helixtrans-66.8-41.4178.3-162.1175.3-176.6-178.40111.2P173 S174 A175 N181P173-K177 PolarHBondContact O-N 3.26Å; S174-K177 PolarHBondContact O-N 2.92Å; A175-K177 VanDerWaalsContact C-N 3.35Å; K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.28Å
178A69.4Low67.8Low61 Ų6192.5 Ų92.550%0.50450%0.5SS..Hα-helixtrans-63-44173.300000112.1S174 A175 N181 W182S174-A178 PolarHBondContact O-N 3.41Å; A175-A178 PolarHBondContact O-N 3.17Å; A178-N181 PolarHBondContact O-N 3Å; A178-W182 WeakPolarHBondContact O-CB 3.18Å; A178-W182 PolarHBondContact O-N 2.97Å
179L68.1Low67.3Low94 Ų9494.8 Ų94.849%0.49251%0.512SS..Hα-helixtrans-66-43.1178.7-149.1110000112.1A175 R176 W182 V183A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 2.87Å; R176-L179 PolarHBondContact O-N 3.23Å; L179-W182 PolarHBondContact O-N 2.81Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.94Å
180C66.6Low66.5Low79 Ų7996.4 Ų96.453%0.53451%0.508SS..Hα-helixtrans-64.6-38.5175.1-75.70000112.4R176 R184R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 2.81Å; R176-C180 PolarHBondContact O-SG 2.85Å; R176-C180 VanDerWaalsContact O-SG 3.37Å; C180-R184 WeakPolarHBondContact O-CB 3.38Å; C180-R184 WeakPolarHBondContact O-CG 3.31Å; C180-R184 PolarHBondContact O-N 3.35Å
181N72.8Confident65.5Low87 Ų8798.9 Ų98.947%0.46551%0.513SS..Hα-helixtrans-66.8-41.7174.6-77.5-6.4000111.2K177 A178 R184 M185K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.28Å; A178-N181 PolarHBondContact O-N 3Å; N181-R184 PolarHBondContact O-N 2.78Å; N181-M185 WeakPolarHBondContact O-CB 3.3Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.46Å; N181-M185 PolarHBondContact O-N 3.48Å
182W72.5Confident64.8Low181 Ų181105.3 Ų105.369%0.68654%0.542SS*.Hα-helixtrans-63.9-44.5176.1-177.374.4000112.3A178 L179 R184 M185 A186A178-W182 WeakPolarHBondContact O-CB 3.18Å; A178-W182 PolarHBondContact O-N 2.97Å; L179-W182 PolarHBondContact O-N 2.81Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 2.94Å; W182-M185 PolarHBondContact O-N 3.16Å; W182-A186 WeakPolarHBondContact O-CB 3.49Å; W182-A186 PolarHBondContact O-N 3.38Å
183V72.5Confident64Low79 Ų79107.2 Ų107.248%0.47956%0.557SS.*Hα-helixtrans-62.3-38174.6171.50000111.4L179 A187L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.94Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.17Å
184R69.3Low63.5Low192 Ų192105 Ų10573%0.72555%0.545SS*.Hα-helixtrans-67.1-41.1174.3-79.6-179.2117.5165.52.1112.5C180 N181 W182 A187 A188C180-R184 WeakPolarHBondContact O-CB 3.38Å; C180-R184 WeakPolarHBondContact O-CG 3.31Å; C180-R184 PolarHBondContact O-N 3.35Å; N181-R184 PolarHBondContact O-N 2.78Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 2.94Å; R184-A187 PolarHBondContact O-N 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.83Å
185M66.4Low62.9Low124 Ų124104.1 Ų104.161%0.61155%0.55SS**Hα-helixtrans-66.7-47.1176.9-74-59.7-60.500111.2N181 W182 A187 A188 E189N181-M185 WeakPolarHBondContact O-CB 3.3Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.46Å; N181-M185 PolarHBondContact O-N 3.48Å; W182-M185 PolarHBondContact O-N 3.16Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.35Å; M185-A188 CarbonylContact O-C 3.54Å; M185-A188 WeakPolarHBondContact O-CA 3.43Å; M185-A188 WeakPolarHBondContact O-CB 3.36Å; M185-A188 PolarHBondContact O-N 2.82Å; M185-E189 WeakPolarHBondContact O-CB 3.47Å; M185-E189 PolarHBondContact O-N 2.62Å
186A63.6Low62.2Low37 Ų37109.1 Ų109.131%0.30657%0.571SS.*Hα-helixtrans-60.9-39.9176.100000111.5W182 E189 H190W182-A186 WeakPolarHBondContact O-CB 3.49Å; W182-A186 PolarHBondContact O-N 3.38Å; A186-E189 PolarHBondContact O-N 3.25Å; A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 2.89Å
187A60.5Low61.2Low44 Ų44109.5 Ų109.536%0.36459%0.586SS.*Hα-helixtrans-68.1-32.3173.700000112.9V183 R184 M185 R191V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.17Å; R184-A187 PolarHBondContact O-N 3.29Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.35Å; A187-R191 WeakPolarHBondContact O-CD 3.39Å; A187-R191 WeakPolarHBondContact O-CG 3.29Å; A187-R191 PolarHBondContact O-N 3.45Å
188A61Low60.1Low29 Ų29111.5 Ų111.524%0.2459%0.59CS.*Hα-helixtrans-72.5-38.6173.300000112.1R184 M185 R191 H192R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.83Å; M185-A188 CarbonylContact O-C 3.54Å; M185-A188 WeakPolarHBondContact O-CA 3.43Å; M185-A188 WeakPolarHBondContact O-CB 3.36Å; M185-A188 PolarHBondContact O-N 2.82Å; A188-R191 WeakPolarHBondContact O-CA 3.47Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.44Å; A188-R191 PolarHBondContact O-N 3.48Å; A188-R191 VanDerWaalsContact O-N 3.11Å; A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 2.94Å; A188-H192 VanDerWaalsContact O-N 3.13Å
189E56.9Low59Low141 Ų141119.4 Ų119.466%0.65961%0.608SS**Hα-helixtrans-68.1-41.3177.5-164.3168.3-168.800111.1M185 A186 R191 H192 S193M185-E189 WeakPolarHBondContact O-CB 3.47Å; M185-E189 PolarHBondContact O-N 2.62Å; A186-E189 PolarHBondContact O-N 3.25Å; E189-R191 PolarHBondContact O-N 2.95Å; E189-H192 PolarHBondContact O-N 3.24Å; E189-S193 PolarHBondContact O-N 3.05Å
190H53.2Low58Low150 Ų150118.1 Ų118.169%0.69461%0.605SS**Hα-helixtrans-63.8-23.9170.5-132.5-68.9000113.2A186 S194A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 2.89Å; H190-S194 WeakPolarHBondContact O-CB 3.34Å; H190-S194 PolarHBondContact O-OG 3.32Å
191R49.7Very low57Low187 Ų187124.6 Ų124.671%0.70662%0.619SS**Hα-helixtrans-78.5-33175.4-77.3167.8-176.3177-0.6113.1A187 A188 E189 S194A187-R191 WeakPolarHBondContact O-CD 3.39Å; A187-R191 WeakPolarHBondContact O-CG 3.29Å; A187-R191 PolarHBondContact O-N 3.45Å; A188-R191 WeakPolarHBondContact O-CA 3.47Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.44Å; A188-R191 PolarHBondContact O-N 3.48Å; A188-R191 VanDerWaalsContact O-N 3.11Å; E189-R191 PolarHBondContact O-N 2.95Å; R191-S194 PolarHBondContact O-OG 2.9Å
192H51.5Low55.9Low169 Ų169124.5 Ų124.578%0.78262%0.618SS**Hα-helixtrans-76.5-28.6177.7-71.2-63.9000112.6A188 E189A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 2.94Å; A188-H192 VanDerWaalsContact O-N 3.13Å; E189-H192 PolarHBondContact O-N 3.24Å
193S53.9Low55Low111 Ų111120 Ų12078%0.77661%0.611SS**SBendtrans-85.7-11179.8-165.90000114.9E189E189-S193 PolarHBondContact O-N 3.05Å
194S56.8Low54Low61 Ų61120.2 Ų120.243%0.42762%0.621SS.*SBendtrans-99.7-10.3-172.849.10000115.2H190 R191 L196H190-S194 WeakPolarHBondContact O-CB 3.34Å; H190-S194 PolarHBondContact O-OG 3.32Å; R191-S194 PolarHBondContact O-OG 2.9Å; S194-L196 PolarHBondContact O-N 3.31Å
195G54.9Low53.1Low75 Ų75117.4 Ų117.477%0.77362%0.616SS**  trans5812.1172.600000116.1
196L50.4Low52.4Low141 Ų141114 Ų11474%0.73860%0.602SS**  trans-87.6132.8-174-81.9164.1000111.2S194 Y198S194-L196 PolarHBondContact O-N 3.31Å; L196-Y198 PolarHBondContact O-N 3.39Å
197P46.8Very low52Low104 Ų104116.2 Ų116.268%0.67561%0.609SS**  trans-63.9135.4177.624.7-30.8000110.7W199P197-W199 PolarHBondContact O-N 2.96Å
198Y45.1Very low51.8Low195 Ų195121.5 Ų121.577%0.76562%0.623SS**  trans-56.1107.3-179.7172.8-106.4000111.5L196 P200L196-Y198 PolarHBondContact O-N 3.39Å; Y198-P200 HydrophobicContact CD1-CG 4.21Å; Y198-P200 HydrophobicContact CE1-CB 3.82Å; Y198-P200 HydrophobicContact CE1-CG 3.56Å; Y198-P200 HydrophobicContact CE2-CB 4.33Å; Y198-P200 WeakPolarHBondContact OH-CB 3.38Å
199W46.6Very low51.6Low228 Ų228125.2 Ų125.286%0.86464%0.639SS**  trans-97110.7155.7-86.587.6000107.7P197 Y201P197-W199 PolarHBondContact O-N 2.96Å; W199-Y201 PolarHBondContact O-N 3.37Å
200P46.9Very low51.5Low66 Ų66127.2 Ų127.243%0.42964%0.641SS.*  trans-58.8119.7173.17.7-5.5000107.5Y198 L202Y198-P200 HydrophobicContact CD1-CG 4.21Å; Y198-P200 HydrophobicContact CE1-CB 3.82Å; Y198-P200 HydrophobicContact CE1-CG 3.56Å; Y198-P200 HydrophobicContact CE2-CB 4.33Å; Y198-P200 WeakPolarHBondContact OH-CB 3.38Å; P200-L202 PolarHBondContact O-N 3.33Å
201Y46.7Very low51.6Low216 Ų216127.1 Ų127.185%0.84764%0.642SS**  trans-49.9112.5160.1-142.2-96000105.5W199 T203W199-Y201 PolarHBondContact O-N 3.37Å; Y201-T203 PolarHBondContact O-N 2.97Å
202L48.2Very low51.7Low84 Ų84121.2 Ų121.244%0.4464%0.64SS.*  trans-50.9106.7175.5-82.1158.3000106.7P200 T206 L207P200-L202 PolarHBondContact O-N 3.33Å; L202-T206 HydrophobicContact CD2-CG2 3.64Å; L202-L207 HydrophobicContact CB-CD1 4.49Å
203T54.5Low51.9Low88 Ų88120.5 Ų120.554%0.5464%0.636SS.*  trans-56.2145.2178.5-200000106.8Y201 E205 T206 L207Y201-T203 PolarHBondContact O-N 2.97Å; T203-E205 CarbonylContact O-C 3.58Å; T203-E205 PolarHBondContact O-N 3.32Å; T203-T206 PolarHBondContact N-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CA 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.49Å; T203-T206 PolarHBondContact O-N 2.76Å; T203-T206 PolarHBondContact O-OG1 3.49Å; T203-L207 PolarHBondContact O-N 2.92Å
204A50.9Low52.1Low82 Ų82123.7 Ų123.768%0.67864%0.639SS**Hα-helixtrans-52.4-28.2178.100000112L207 K208A204-L207 PolarHBondContact O-N 3.43Å; A204-K208 VanDerWaalsContact O-CB 3.25Å; A204-K208 WeakPolarHBondContact O-CB 3.25Å; A204-K208 PolarHBondContact O-N 3.44Å
205E51.8Low52.2Low133 Ų133126.1 Ų126.162%0.62165%0.653SS**Hα-helixtrans-53.2-49.5167-128.588.8-144.300113.6T203 K208 N209T203-E205 CarbonylContact O-C 3.58Å; T203-E205 PolarHBondContact O-N 3.32Å; E205-K208 PolarHBondContact O-N 2.97Å; E205-N209 VanDerWaalsContact O-CG 3.25Å; E205-N209 PolarHBondContact O-N 3.34Å; E205-N209 PolarHBondContact O-ND2 3.47Å
206T51.5Low52.5Low53 Ų53128.1 Ų128.133%0.32565%0.653SS.*Hα-helixtrans-70.8-34.7-177.2-28.60000111.7L202 T203 R210L202-T206 HydrophobicContact CD2-CG2 3.64Å; T203-T206 PolarHBondContact N-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CA 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.49Å; T203-T206 PolarHBondContact O-N 2.76Å; T203-T206 PolarHBondContact O-OG1 3.49Å; T206-R210 PolarHBondContact O-N 3.06Å
207L54.8Low53.1Low84 Ų84126.7 Ų126.744%0.4465%0.652SS.*Hα-helixtrans-70.4-36.6174.2-119.7152.4000111.5L202 T203 A204 R210 M211L202-L207 HydrophobicContact CB-CD1 4.49Å; T203-L207 PolarHBondContact O-N 2.92Å; A204-L207 PolarHBondContact O-N 3.43Å; L207-R210 PolarHBondContact O-N 3.24Å; L207-M211 HydrophobicContact CB-CE 4.49Å; L207-M211 HydrophobicContact CD2-CE 3.25Å; L207-M211 HydrophobicContact CG-CE 4.47Å; L207-M211 PolarHBondContact O-N 3.27Å
208K55.3Low53.1Low155 Ų155127.5 Ų127.567%0.67466%0.657SS**Hα-helixtrans-68.9-39.9175.7-166.6-178.9174.8-169.30112.1A204 E205 R210 M211 G212A204-K208 VanDerWaalsContact O-CB 3.25Å; A204-K208 WeakPolarHBondContact O-CB 3.25Å; A204-K208 PolarHBondContact O-N 3.44Å; E205-K208 PolarHBondContact O-N 2.97Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; K208-M211 PolarHBondContact O-N 3.13Å; K208-G212 PolarHBondContact O-N 3.42Å; K208-G212 VanDerWaalsContact O-N 3.13Å
209N57.3Low53.6Low106 Ų106124.6 Ų124.657%0.56766%0.66SS**Hα-helixtrans-68.1-27.8175.9-67.7-15.4000112.9E205 H213E205-N209 VanDerWaalsContact O-CG 3.25Å; E205-N209 PolarHBondContact O-N 3.34Å; E205-N209 PolarHBondContact O-ND2 3.47Å; N209-H213 PolarHBondContact O-ND1 2.94Å
210R55.9Low54Low183 Ų183122 Ų12269%0.69166%0.657SS**Hα-helixtrans-80.1-31.5173.4-76-174.2177.6-175.5-0.2113.9T206 L207 K208 G212T206-R210 PolarHBondContact O-N 3.06Å; L207-R210 PolarHBondContact O-N 3.24Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.35Å
211M54Low53.9Low148 Ų148130.6 Ų130.673%0.72969%0.692SS**Hα-helixtrans-77.9-17.8174.6-83.1-174-112.900113.8L207 K208L207-M211 HydrophobicContact CB-CE 4.49Å; L207-M211 HydrophobicContact CD2-CE 3.25Å; L207-M211 HydrophobicContact CG-CE 4.47Å; L207-M211 PolarHBondContact O-N 3.27Å; K208-M211 PolarHBondContact O-N 3.13Å
212G52.4Low54.3Low63 Ų63126.4 Ų126.465%0.64968%0.684SS**THydrogen-bonded Turntrans-84.1-8.918000000115.5K208 R210K208-G212 PolarHBondContact O-N 3.42Å; K208-G212 VanDerWaalsContact O-N 3.13Å; R210-G212 VanDerWaalsContact C-N 3.35Å
213H55.3Low54.6Low155 Ų155128.6 Ų128.672%0.71870%0.697SS**  trans-91.3107.5175.6-75.878.5000109.3N209N209-H213 PolarHBondContact O-ND1 2.94Å
214Q57.7Low54.6Low178 Ų178130.8 Ų130.883%0.83271%0.706SS**PPolyproline II helixtrans-62.7139.4160.2-79.8-163.9-5.900108.7
215P59.8Low54.8Low112 Ų112133.7 Ų133.773%0.72771%0.707SS**PPolyproline II helixtrans-59.1141.516825.6-30.9000108.7
216P61.7Low55Low117 Ų117133.8 Ų133.876%0.7671%0.713SS**PPolyproline II helixtrans-56.9143.317624.8-32.5000109.3
217P61.4Low55.2Low111 Ų111139.1 Ų139.172%0.72174%0.738SS**PPolyproline II helixtrans-59.7146.4-179.925.1-32.7000109.9T219P217-T219 PolarHBondContact O-N 3.16Å; P217-T219 VanDerWaalsContact O-N 3.16Å
218P48Very low55.3Low121 Ų121143.1 Ų143.179%0.78676%0.76SS**PPolyproline II helixtrans-61.1122.1-179.225.1-32.5000109.4Q220P218-Q220 PolarHBondContact O-N 3.16Å; P218-Q220 VanDerWaalsContact O-N 3.16Å
219T55.3Low55.2Low133 Ų133142.2 Ų142.282%0.81677%0.766SS**PPolyproline II helixtrans-58.4117169.8-44.80000107.9P217P217-T219 PolarHBondContact O-N 3.16Å; P217-T219 VanDerWaalsContact O-N 3.16Å
220Q54Low55.1Low174 Ų174145.2 Ų145.281%0.81378%0.783SS**PPolyproline II helixtrans-81.8118.6164-80.6-130.820.900108.1P218P218-Q220 PolarHBondContact O-N 3.16Å; P218-Q220 VanDerWaalsContact O-N 3.16Å
221Q45.4Very low55Low247 Ų247141.7 Ų141.7100%1.15479%0.791SS**  trans74.60168.3-59.5-174.6-11.200116.8

Retrieved 221 of 221 residues in 213.8 ms (Link to these results)