A0A067ZWP7_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB (A0A067ZXH0), UniProt , Accession A0A067ZWP7, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 234 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
1M34.5Very low34.1Very low227 Ų227165.7 Ų165.7100%1.11886%0.857SS**  0123.20-121.8175.7177.500107
2F29.9Very low34Very low188 Ų188158 Ų15883%0.82585%0.849SS**  trans63.9134.2175.6-65.2-87.5000116.2
3C28.3Very low34.1Very low102 Ų102151.7 Ų151.769%0.68984%0.844SS**  cis-14812833.1-140.30000111.9
4C40.2Very low34.7Very low127 Ų127149.8 Ų149.886%0.85884%0.844SS**  trans-81.3117.1159.1-60.50000108.2
5L36.3Very low35.1Very low164 Ų164152.6 Ų152.686%0.85984%0.843SS**  trans-150.6128.4158.1-72.2172.5000103.6
6G32Very low35.8Very low61 Ų61149.1 Ų149.163%0.62983%0.827SS**  cis151.7129.525.400000103.1
7Y32.8Very low36Very low233 Ų233154.8 Ų154.891%0.91483%0.833SS**  trans-71.3124.7-173.8-40.3-96.3000109.1
8E33.5Very low36.3Very low197 Ų197154.8 Ų154.892%0.92183%0.827SS**  trans-127.6106.7162.1-82.7-171.3151.400109.6
9W38.5Very low36.9Very low237 Ų237149.2 Ų149.290%0.89880%0.801SS**  trans-83.9124.8157.2-9078.3000107.7
10L35.7Very low37.4Very low163 Ų163144.3 Ų144.385%0.85378%0.782SS**  164.3155.9122.1-89.2159.9000111.9
11S33.6Very low37.5Very low124 Ų124146.3 Ų146.387%0.86778%0.779SS**  trans81.3106.9174.9-145.30000113.3
12G33Very low38.1Very low73 Ų73139.5 Ų139.575%0.75375%0.75SS**  cis117.3108.542.200000107.3
13G35.4Very low39.1Very low76 Ų76135.9 Ų135.978%0.78474%0.738SS**  trans94.2111.3158.600000117.6
14C42.1Very low40Very low125 Ų125136.5 Ų136.585%0.84573%0.734SS**  trans77.695.5148.2-150.80000118.1
15K41.4Very low40.2Very low192 Ų192132.7 Ų132.784%0.83571%0.707SS**  trans158.8103.2146.7-87.5153.4-170.8176.50103.4
16T45.7Very low40.5Very low96 Ų96130 Ų13059%0.58969%0.693SS**  -178.248.2117.242.20000112.9H18 S19T16-H18 PolarHBondContact O-N 3.48Å; T16-S19 WeakPolarHBondContact CB-OG 3.33Å; T16-S19 VanDerWaalsContact CG2-OG 3.26Å; T16-S19 WeakPolarHBondContact CG2-OG 3.45Å
17W38.8Very low41.1Very low246 Ų246130 Ų13093%0.93269%0.687SS**Hα-helixtrans-66.5-25167.1-77.896.6000112.4
18H42Very low41.6Very low156 Ų156124.6 Ų124.672%0.72267%0.674SS**Hα-helixtrans-78.2-31.3178.3-110.9-80.1000114.4T16 V22T16-H18 PolarHBondContact O-N 3.48Å; H18-V22 VanDerWaalsContact O-CG2 3.3Å; H18-V22 WeakPolarHBondContact O-CG2 3.26Å; H18-V22 PolarHBondContact O-N 3.01Å
19S47.8Very low42.1Very low48 Ų48121 Ų12134%0.33666%0.657SS.*Hα-helixtrans-85.2-23.4-17864.70000113.1T16 W21 I23T16-S19 WeakPolarHBondContact CB-OG 3.33Å; T16-S19 VanDerWaalsContact CG2-OG 3.26Å; T16-S19 WeakPolarHBondContact CG2-OG 3.45Å; S19-W21 VanDerWaalsContact C-N 3.35Å; S19-I23 WeakPolarHBondContact O-CB 3.21Å; S19-I23 WeakPolarHBondContact O-CD1 3.09Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.06Å
20A47.4Very low42.4Very low51 Ų51117.4 Ų117.442%0.42165%0.65SS.*Hα-helixtrans-68.4-36.1169.900000111.6N24A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.16Å; A20-N24 VanDerWaalsContact O-N 3.09Å; A20-N24 PolarHBondContact O-ND2 3.01Å
21W38Very low42.7Very low186 Ų186118 Ų11871%0.70565%0.647SS**Hα-helixtrans-65.4-50.3173-156.261.7000110.4S19 I23 N24 T25S19-W21 VanDerWaalsContact C-N 3.35Å; W21-I23 PolarHBondContact O-N 3.37Å; W21-N24 CarbonylContact O-C 3.58Å; W21-N24 PolarHBondContact O-N 3.28Å; W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.27Å
22V48.7Very low43.4Very low84 Ų84122.3 Ų122.351%0.50965%0.645SS.*Hα-helixtrans-62.3-37.6179.7172.60000113H18 T25 L26H18-V22 VanDerWaalsContact O-CG2 3.3Å; H18-V22 WeakPolarHBondContact O-CG2 3.26Å; H18-V22 PolarHBondContact O-N 3.01Å; V22-T25 PolarHBondContact O-N 3.32Å; V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 PolarHBondContact O-N 3.21Å
23I49.5Very low43.9Very low113 Ų113121.8 Ų121.858%0.57964%0.64SS**Hα-helixtrans-70.6-38.4176.6-66.5164.7000111.1S19 W21 L26 A27S19-I23 WeakPolarHBondContact O-CB 3.21Å; S19-I23 WeakPolarHBondContact O-CD1 3.09Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.06Å; W21-I23 PolarHBondContact O-N 3.37Å; I23-L26 PolarHBondContact O-N 3.14Å; I23-A27 WeakPolarHBondContact O-CB 3.17Å; I23-A27 PolarHBondContact O-N 3.01Å
24N46.8Very low44.4Very low115 Ų115124.6 Ų124.662%0.61564%0.642SS**Hα-helixtrans-71.8-34.5173.7-79.9-31.6000112.4A20 W21 L26 D28A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.16Å; A20-N24 VanDerWaalsContact O-N 3.09Å; A20-N24 PolarHBondContact O-ND2 3.01Å; W21-N24 CarbonylContact O-C 3.58Å; W21-N24 PolarHBondContact O-N 3.28Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-D28 WeakPolarHBondContact O-CB 3.45Å; N24-D28 PolarHBondContact O-N 3.09Å
25T45.2Very low44.7Very low46 Ų46125.4 Ų125.428%0.28264%0.638SS.*Hα-helixtrans-70.2-33.7174.8-24.10000111.2W21 V22 H29W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.27Å; V22-T25 PolarHBondContact O-N 3.32Å; T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.89Å; T25-H29 PolarHBondContact O-ND1 3.44Å
26L41.8Very low44.9Very low109 Ų109126.8 Ų126.857%0.57164%0.644SS**Hα-helixtrans-73.7-37.3176.2-165.473.4000112.2V22 I23 N24 H29 H30V22-L26 WeakPolarHBondContact O-CB 3.4Å; V22-L26 PolarHBondContact O-N 3.21Å; I23-L26 PolarHBondContact O-N 3.14Å; N24-L26 VanDerWaalsContact C-N 3.35Å; L26-H29 PolarHBondContact O-N 3.3Å; L26-H30 PolarHBondContact O-CD2 2.89Å; L26-H30 PolarHBondContact O-N 3.12Å
27A45.5Very low45.1Very low60 Ų60124.2 Ų124.250%0.49664%0.637SS.*Hα-helixtrans-68.7-35.2172.800000112.2I23 H29I23-A27 WeakPolarHBondContact O-CB 3.17Å; I23-A27 PolarHBondContact O-N 3.01Å; A27-H29 VanDerWaalsContact C-N 3.31Å
28D43.8Very low45.2Very low119 Ų119115 Ų11564%0.63662%0.618SS**Hα-helixtrans-76-20.1177.5-154.851.7000112.5N24N24-D28 WeakPolarHBondContact O-CB 3.45Å; N24-D28 PolarHBondContact O-N 3.09Å
29H44.4Very low46Very low122 Ų122111.7 Ų111.757%0.56561%0.613SS**Hα-helixtrans-90.9-12.1176.3-75.57.2000115T25 L26 A27 H31T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.89Å; T25-H29 PolarHBondContact O-ND1 3.44Å; L26-H29 PolarHBondContact O-N 3.3Å; A27-H29 VanDerWaalsContact C-N 3.31Å; H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.92Å
30H43.5Very low46.5Very low162 Ų162113.8 Ų113.875%0.7563%0.625SS**THydrogen-bonded Turntrans-82.90.5171.5-92-72.3000114.2L26L26-H30 PolarHBondContact O-CD2 2.89Å; L26-H30 PolarHBondContact O-N 3.12Å
31H41.6Very low46.9Very low174 Ų174120.3 Ų120.381%0.80664%0.639SS**THydrogen-bonded Turntrans-105.45.1176.6-107-56.4000115.4H29H29-H31 VanDerWaalsContact C-N 3.27Å; H29-H31 PolarHBondContact O-N 2.92Å
32R49.2Very low47.9Very low215 Ų215116.1 Ų116.181%0.81163%0.63SS**SBendtrans-111.495.8174.4-99.6-179.9160.1176.8-3.6110.4
33G43.6Very low48.5Very low63 Ų63118.8 Ų118.865%0.64964%0.636SS**  trans155.153.6167.800000117.5
34T45.9Very low49.1Very low134 Ų134117.2 Ų117.282%0.82263%0.632SS**  trans-14853.6140.649.40000110.1F36T34-F36 PolarHBondContact O-N 3.44Å
35D48.1Very low49.9Very low142 Ų142116.3 Ų116.376%0.75963%0.626SS**  trans-80.649.4171.8-68.2-43000112.1
36F46.4Very low50.7Low221 Ų221119.6 Ų119.697%0.96964%0.641SS**SBendtrans-138.734.8170.3-92.5-74.9000112.6T34T34-F36 PolarHBondContact O-N 3.44Å
37G49Very low51.4Low42 Ų42116.7 Ų116.743%0.43363%0.632SS.*  trans-166.230.9-178.500000114.9
38G41.8Very low52Low52 Ų52121 Ų12154%0.53664%0.64SS.*  trans-51.5144.6172.100000110.7P40 W41G38-P40 WeakPolarHBondContact O-CD 3.33Å; G38-W41 PolarHBondContact O-N 2.8Å; G38-W41 VanDerWaalsContact O-N 3.16Å
39S58.1Low52.9Low88 Ų88117.4 Ų117.462%0.61562%0.624SS**THydrogen-bonded Turntrans-35.9-29.2-174.7-670000118.6W41 H43S39-W41 PolarHBondContact O-N 3.49Å; S39-H43 PolarHBondContact O-CD2 2.98Å; S39-H43 VanDerWaalsContact O-CD2 3.3Å; S39-H43 PolarHBondContact O-N 3.13Å
40P57.9Low53.6Low92 Ų92115.8 Ų115.860%0.59762%0.622SS**Hα-helixtrans-61.8-38.1176.9-26.736.5000115G38 H43 V44G38-P40 WeakPolarHBondContact O-CD 3.33Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.46Å; P40-V44 WeakPolarHBondContact O-CG2 3.47Å; P40-V44 PolarHBondContact O-N 3.04Å
41W55.5Low54.8Low187 Ų187111.2 Ų111.271%0.70861%0.609SS**Hα-helixtrans-72.8-35.1-174.9-103.882.3000112.9G38 S39 V44 I45G38-W41 PolarHBondContact O-N 2.8Å; G38-W41 VanDerWaalsContact O-N 3.16Å; S39-W41 PolarHBondContact O-N 3.49Å; W41-V44 PolarHBondContact O-N 3.36Å; W41-I45 HydrophobicContact CE3-CD1 4.04Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.16Å; W41-I45 WeakPolarHBondContact O-CD1 3.48Å; W41-I45 WeakPolarHBondContact O-CG1 3.29Å; W41-I45 PolarHBondContact O-N 3.49Å
42L60.4Low56.4Low99 Ų99108.1 Ų108.152%0.51859%0.591SS.*Hα-helixtrans-67-37.9173.2-73170.8000111.7V44 I45 I46L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.11Å; L42-I45 PolarHBondContact O-N 3.27Å; L42-I46 WeakPolarHBondContact O-CB 3.28Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.23Å
43H60.8Low57.7Low139 Ų139103.6 Ų103.664%0.64458%0.577SS**Hα-helixtrans-61.3-41.6171-88.9-79.6000111.6S39 P40 I46 A47S39-H43 PolarHBondContact O-CD2 2.98Å; S39-H43 VanDerWaalsContact O-CD2 3.3Å; S39-H43 PolarHBondContact O-N 3.13Å; P40-H43 WeakPolarHBondContact O-CB 3.44Å; P40-H43 PolarHBondContact O-N 3.46Å; H43-I46 PolarHBondContact O-N 2.86Å; H43-A47 WeakPolarHBondContact O-CA 3.34Å; H43-A47 WeakPolarHBondContact O-CB 3.43Å; H43-A47 PolarHBondContact O-N 3.47Å
44V62.4Low59.2Low81 Ų81104.3 Ų104.349%0.49157%0.568SS.*Hα-helixtrans-64.2-46.1174174.20000110.9P40 W41 L42 I46 A47 F48P40-V44 WeakPolarHBondContact O-CG2 3.47Å; P40-V44 PolarHBondContact O-N 3.04Å; W41-V44 PolarHBondContact O-N 3.36Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.11Å; V44-I46 VanDerWaalsContact C-N 3.29Å; V44-I46 PolarHBondContact O-N 3.3Å; V44-A47 PolarHBondContact O-N 3.43Å; V44-F48 WeakPolarHBondContact O-CB 3.18Å; V44-F48 PolarHBondContact O-N 3.48Å
45I62.7Low60.8Low96 Ų96102.4 Ų102.449%0.49256%0.556SS.*Hα-helixtrans-64.6-28.6179.8-67.3161.6000112.6W41 L42 P49W41-I45 HydrophobicContact CE3-CD1 4.04Å; W41-I45 HydrophobicContact CE3-CG1 4.28Å; W41-I45 WeakPolarHBondContact O-CB 3.16Å; W41-I45 WeakPolarHBondContact O-CD1 3.48Å; W41-I45 WeakPolarHBondContact O-CG1 3.29Å; W41-I45 PolarHBondContact O-N 3.49Å; L42-I45 PolarHBondContact O-N 3.27Å; I45-P49 WeakPolarHBondContact O-CD 3.3Å; I45-P49 WeakPolarHBondContact O-CG 3.26Å
46I61.5Low62.4Low115 Ų11599.6 Ų99.659%0.5954%0.541SS*.Hα-helixtrans-92-37.6177.9-63.9167.4000112.1L42 H43 V44 P49 T50L42-I46 WeakPolarHBondContact O-CB 3.28Å; L42-I46 VanDerWaalsContact O-CG1 3.29Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.23Å; H43-I46 PolarHBondContact O-N 2.86Å; V44-I46 VanDerWaalsContact C-N 3.29Å; V44-I46 PolarHBondContact O-N 3.3Å; I46-P49 WeakPolarHBondContact O-CD 3.44Å; I46-T50 PolarHBondContact O-OG1 3.47Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å
47A58.1Low64Low47 Ų4793 Ų9339%0.38852%0.518SS..Hα-helixtrans-71.9-38.8179.200000111.7H43 V44 T50 S51H43-A47 WeakPolarHBondContact O-CA 3.34Å; H43-A47 WeakPolarHBondContact O-CB 3.43Å; H43-A47 PolarHBondContact O-N 3.47Å; V44-A47 PolarHBondContact O-N 3.43Å; A47-T50 PolarHBondContact O-N 3.31Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.42Å; A47-S51 PolarHBondContact O-OG 3Å; A47-S51 VanDerWaalsContact O-OG 3.06Å
48F57.7Low65.6Low150 Ų15096.4 Ų96.466%0.65853%0.526SS*.Hα-helixtrans-61.4-40.5-178.9-158.4-90.3000112.3V44 T50 S51 Y52V44-F48 WeakPolarHBondContact O-CB 3.18Å; V44-F48 PolarHBondContact O-N 3.48Å; F48-T50 PolarHBondContact O-N 2.92Å; F48-S51 PolarHBondContact O-N 3.48Å; F48-Y52 WeakPolarHBondContact O-CD1 3.29Å; F48-Y52 PolarHBondContact O-N 2.96Å
49P62Low67.6Low45 Ų45102 Ų10229%0.29253%0.531SS..Hα-helixtrans-58.8-41.7170.6-30.436.1000115.8I45 I46 Y52 K53I45-P49 WeakPolarHBondContact O-CD 3.3Å; I45-P49 WeakPolarHBondContact O-CG 3.26Å; I46-P49 WeakPolarHBondContact O-CD 3.44Å; P49-Y52 HydrophobicContact CB-CD1 4.26Å; P49-Y52 HydrophobicContact CB-CE1 3.76Å; P49-Y52 HydrophobicContact CG-CE1 4.46Å; P49-Y52 VanDerWaalsContact O-CD1 3.23Å; P49-Y52 WeakPolarHBondContact O-CD1 3.47Å; P49-Y52 VanDerWaalsContact O-CE1 3.27Å; P49-Y52 WeakPolarHBondContact O-CE1 3.3Å; P49-K53 VanDerWaalsContact O-CG 3.27Å; P49-K53 WeakPolarHBondContact O-CG 3.19Å; P49-K53 PolarHBondContact O-N 3.37Å
50T60.4Low69.1Low87 Ų87101.6 Ų101.653%0.53452%0.521SS..Hα-helixtrans-73.1-42.8-176.6-520000109.7I46 A47 F48 K53 V54I46-T50 PolarHBondContact O-OG1 3.47Å; I46-T50 VanDerWaalsContact O-OG1 3.06Å; A47-T50 PolarHBondContact O-N 3.31Å; A47-T50 VanDerWaalsContact O-N 3.12Å; F48-T50 PolarHBondContact O-N 2.92Å; T50-K53 PolarHBondContact O-N 3.28Å; T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.06Å; T50-V54 VanDerWaalsContact O-N 3.11Å
51S67.7Low70.5Confident67 Ų67101.1 Ų101.147%0.46952%0.516SS..Hα-helixtrans-64.4-45.3176.2-62.20000112.3A47 F48 K53 V54 V55A47-S51 WeakPolarHBondContact O-CB 3.43Å; A47-S51 PolarHBondContact O-N 3.42Å; A47-S51 PolarHBondContact O-OG 3Å; A47-S51 VanDerWaalsContact O-OG 3.06Å; F48-S51 PolarHBondContact O-N 3.48Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 2.97Å; S51-V54 PolarHBondContact O-N 2.85Å; S51-V55 VanDerWaalsContact O-CG2 3.32Å; S51-V55 WeakPolarHBondContact O-CG2 3.35Å; S51-V55 PolarHBondContact O-N 3.44Å
52Y75.6Confident72Confident109 Ų10999.8 Ų99.843%0.42751%0.512SS..Hα-helixtrans-63.7-39178.487.9-114.3000111.2F48 P49 V54 V55 I56F48-Y52 WeakPolarHBondContact O-CD1 3.29Å; F48-Y52 PolarHBondContact O-N 2.96Å; P49-Y52 HydrophobicContact CB-CD1 4.26Å; P49-Y52 HydrophobicContact CB-CE1 3.76Å; P49-Y52 HydrophobicContact CG-CE1 4.46Å; P49-Y52 VanDerWaalsContact O-CD1 3.23Å; P49-Y52 WeakPolarHBondContact O-CD1 3.47Å; P49-Y52 VanDerWaalsContact O-CE1 3.27Å; P49-Y52 WeakPolarHBondContact O-CE1 3.3Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 3.35Å; Y52-V55 PolarHBondContact O-N 2.83Å; Y52-I56 HydrophobicContact CD2-CD1 3.62Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 4.18Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.24Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 3.5Å
53K75.9Confident73.2Confident120 Ų12099.6 Ų99.652%0.52251%0.511SS..Hα-helixtrans-62.6-40.7178.2-76.4178.9-177.1176.70111.1P49 T50 S51 T57P49-K53 VanDerWaalsContact O-CG 3.27Å; P49-K53 WeakPolarHBondContact O-CG 3.19Å; P49-K53 PolarHBondContact O-N 3.37Å; T50-K53 PolarHBondContact O-N 3.28Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 2.97Å; K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.31Å; K53-T57 PolarHBondContact O-N 3.04Å; K53-T57 PolarHBondContact O-OG1 2.96Å
54V75.3Confident74.4Confident78 Ų78100.9 Ų100.947%0.47351%0.511SS..Hα-helixtrans-65.2-47.3176.21730000110.6T50 S51 Y52 T57 L58T50-V54 VanDerWaalsContact O-CG2 3.3Å; T50-V54 WeakPolarHBondContact O-CG2 3.29Å; T50-V54 PolarHBondContact O-N 3.06Å; T50-V54 VanDerWaalsContact O-N 3.11Å; S51-V54 PolarHBondContact O-N 2.85Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 3.35Å; V54-T57 PolarHBondContact O-N 3.2Å; V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.14Å
55V78.8Confident75.4Confident93 Ų93101.1 Ų101.156%0.56451%0.512SS*.Hα-helixtrans-62.7-45.4179.2173.80000111.7S51 Y52 T57 L58 W59S51-V55 VanDerWaalsContact O-CG2 3.32Å; S51-V55 WeakPolarHBondContact O-CG2 3.35Å; S51-V55 PolarHBondContact O-N 3.44Å; Y52-V55 PolarHBondContact O-N 2.83Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.43Å; V55-W59 WeakPolarHBondContact O-CB 3.21Å; V55-W59 PolarHBondContact O-N 2.95Å
56I82.9Confident76.2Confident84 Ų8498.6 Ų98.643%0.43150%0.503SS..Hα-helixtrans-62-43.4176.4-68.9177.7000110.5Y52 W59 I60Y52-I56 HydrophobicContact CD2-CD1 3.62Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 HydrophobicContact CE2-CD1 4.18Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.24Å; Y52-I56 WeakPolarHBondContact O-CG1 3.21Å; Y52-I56 PolarHBondContact O-N 3.5Å; I56-W59 PolarHBondContact O-N 2.8Å; I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.34Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.9Å
57T79.9Confident77Confident82 Ų8297.5 Ų97.550%0.50350%0.498SS..Hα-helixtrans-64-44.2178.8-56.30000111K53 V54 V55 W59 I60 V61K53-T57 VanDerWaalsContact O-CB 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.31Å; K53-T57 PolarHBondContact O-N 3.04Å; K53-T57 PolarHBondContact O-OG1 2.96Å; V54-T57 PolarHBondContact O-N 3.2Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 3.42Å; T57-W59 VanDerWaalsContact C-N 3.35Å; T57-W59 PolarHBondContact O-N 3.47Å; T57-I60 PolarHBondContact O-N 2.92Å; T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 3.39Å
58L82.1Confident78Confident113 Ų113100.3 Ų100.359%0.59251%0.506SS*.Hα-helixtrans-62.4-41.5175.6-73171.9000111.7V54 V55 V61 Y62V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.39Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.33Å; V54-L58 PolarHBondContact O-N 3.14Å; V55-L58 PolarHBondContact O-N 3.43Å; L58-V61 PolarHBondContact O-N 2.89Å; L58-Y62 VanDerWaalsContact O-CB 3.24Å; L58-Y62 WeakPolarHBondContact O-CB 3.38Å; L58-Y62 PolarHBondContact O-N 3.28Å
59W84.3Confident78.8Confident169 Ų169100.4 Ų100.464%0.6451%0.506SS*.Hα-helixtrans-65.2-41.6177-172.959.7000112.1V55 I56 T57 Y62 L63V55-W59 WeakPolarHBondContact O-CB 3.21Å; V55-W59 PolarHBondContact O-N 2.95Å; I56-W59 PolarHBondContact O-N 2.8Å; T57-W59 VanDerWaalsContact C-N 3.35Å; T57-W59 PolarHBondContact O-N 3.47Å; W59-Y62 PolarHBondContact O-N 3.5Å; W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.24Å; W59-L63 PolarHBondContact O-N 2.85Å
60I88.4Confident79.1Confident81 Ų81102.7 Ų102.742%0.41552%0.519SS..Hα-helixtrans-63.1-46.8174.8-69.5167.5000110.7I56 T57 Y62 L63 W64I56-I60 HydrophobicContact CG2-CD1 3.69Å; I56-I60 HydrophobicContact CG2-CG1 4.34Å; I56-I60 WeakPolarHBondContact O-CB 3.31Å; I56-I60 VanDerWaalsContact O-CG1 3.23Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.9Å; T57-I60 PolarHBondContact O-N 2.92Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 2.92Å; I60-L63 PolarHBondContact O-N 3.36Å; I60-W64 WeakPolarHBondContact O-CB 3.32Å; I60-W64 PolarHBondContact O-N 3.28Å
61V88.6Confident79.6Confident81 Ų81102.8 Ų102.849%0.49152%0.515SS..Hα-helixtrans-62.1-43.6177.8171.40000110.4T57 L58 W64 V65T57-V61 WeakPolarHBondContact O-CB 3.5Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 3.39Å; L58-V61 PolarHBondContact O-N 2.89Å; V61-W64 PolarHBondContact O-N 3.47Å; V61-V65 HydrophobicContact CG1-CG2 4.33Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.92Å
62Y86.3Confident79.2Confident159 Ų159105 Ų10562%0.62452%0.517SS*.Hα-helixtrans-62.4-43.7177.1-179-99.2000112.4L58 W59 I60 W64 V65 S66L58-Y62 VanDerWaalsContact O-CB 3.24Å; L58-Y62 WeakPolarHBondContact O-CB 3.38Å; L58-Y62 PolarHBondContact O-N 3.28Å; W59-Y62 PolarHBondContact O-N 3.5Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 2.92Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-V65 PolarHBondContact O-N 3.5Å; Y62-S66 VanDerWaalsContact O-CB 3.26Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3Å; Y62-S66 PolarHBondContact O-OG 2.88Å
63L86.4Confident78.1Confident96 Ų96110.1 Ų110.150%0.50354%0.535SS..Hα-helixtrans-63.2-41.8175.9-170.670000111W59 I60 S66 L67W59-L63 VanDerWaalsContact O-CB 3.31Å; W59-L63 WeakPolarHBondContact O-CB 3.24Å; W59-L63 PolarHBondContact O-N 2.85Å; I60-L63 PolarHBondContact O-N 3.36Å; L63-S66 PolarHBondContact O-N 3.38Å; L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.9Å
64W85.1Confident77Confident166 Ų166108.1 Ų108.163%0.62954%0.537SS*.Hα-helixtrans-65.1-45.2176.1-9685.7000112.6I60 V61 Y62 S66 L67 L68I60-W64 WeakPolarHBondContact O-CB 3.32Å; I60-W64 PolarHBondContact O-N 3.28Å; V61-W64 PolarHBondContact O-N 3.47Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; W64-S66 VanDerWaalsContact C-N 3.34Å; W64-L67 PolarHBondContact O-N 3.42Å; W64-L68 WeakPolarHBondContact O-CB 3.38Å; W64-L68 PolarHBondContact O-N 2.83Å
65V82.8Confident75.8Confident86 Ų86111.4 Ų111.452%0.52154%0.541SS..Hα-helixtrans-64.4-41.2177.1170.90000110.7V61 Y62 L68 K69V61-V65 HydrophobicContact CG1-CG2 4.33Å; V61-V65 WeakPolarHBondContact O-CB 3.23Å; V61-V65 VanDerWaalsContact O-CG2 3.31Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 2.92Å; Y62-V65 PolarHBondContact O-N 3.5Å; V65-L68 PolarHBondContact O-N 2.85Å; V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 2.79Å
66S80.4Confident74.4Confident42 Ų42111.8 Ų111.829%0.29454%0.54SS..Hα-helixtrans-62.2-44.8175.5-64.40000111.7Y62 L63 W64 K69 T70Y62-S66 VanDerWaalsContact O-CB 3.26Å; Y62-S66 WeakPolarHBondContact O-CB 3.4Å; Y62-S66 PolarHBondContact O-N 3Å; Y62-S66 PolarHBondContact O-OG 2.88Å; L63-S66 PolarHBondContact O-N 3.38Å; W64-S66 VanDerWaalsContact C-N 3.34Å; S66-K69 PolarHBondContact O-N 2.86Å; S66-T70 WeakPolarHBondContact O-CG2 3.5Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 2.82Å
67L78.3Confident72.8Confident93 Ų93110.7 Ų110.749%0.48755%0.549SS..Hα-helixtrans-67.5-38.5175.9-169.5119000112.3L63 W64 K69 T70 I71L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.32Å; L63-L67 PolarHBondContact O-N 2.9Å; W64-L67 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 3.4Å; L67-T70 WeakPolarHBondContact CA-OG1 3.45Å; L67-T70 PolarHBondContact O-OG1 3.31Å; L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.07Å; L67-I71 WeakPolarHBondContact O-CB 3.48Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.29Å; L67-I71 PolarHBondContact O-N 2.84Å
68L79.9Confident71.4Confident105 Ų105112.6 Ų112.655%0.5555%0.552SS.*Hα-helixtrans-65.1-40.2175.4-13984000110.6W64 V65 I71 F72W64-L68 WeakPolarHBondContact O-CB 3.38Å; W64-L68 PolarHBondContact O-N 2.83Å; V65-L68 PolarHBondContact O-N 2.85Å; L68-I71 PolarHBondContact O-N 3.41Å; L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.28Å; L68-F72 PolarHBondContact O-N 3.35Å
69K72.9Confident69.8Low152 Ų152112.6 Ų112.666%0.66155%0.552SS**Hα-helixtrans-66.4-43.3179.1-174158.9176.6161.30111.2V65 S66 L67 F72 W73V65-K69 WeakPolarHBondContact O-CB 3.4Å; V65-K69 PolarHBondContact O-N 2.79Å; S66-K69 PolarHBondContact O-N 2.86Å; L67-K69 VanDerWaalsContact C-N 3.31Å; L67-K69 PolarHBondContact O-N 3.4Å; K69-F72 PolarHBondContact O-N 2.92Å; K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.42Å; K69-W73 PolarHBondContact O-N 3.41Å
70T70.1Confident68.3Low93 Ų93107.1 Ų107.157%0.57155%0.548SS*.Hα-helixtrans-63.9-42.1174.853.20000112.2S66 L67 S74S66-T70 WeakPolarHBondContact O-CG2 3.5Å; S66-T70 PolarHBondContact O-N 2.89Å; S66-T70 PolarHBondContact O-OG1 2.82Å; L67-T70 WeakPolarHBondContact CA-OG1 3.45Å; L67-T70 PolarHBondContact O-OG1 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.2Å; T70-S74 PolarHBondContact O-N 3.43Å
71I70.4Confident66.5Low90 Ų90106.5 Ų106.546%0.46255%0.551SS.*Hα-helixtrans-65.5-41.2176.3-67.1167.1000111.7L67 L68 S74 R75L67-I71 HydrophobicContact CD2-CD1 3.66Å; L67-I71 HydrophobicContact CG-CD1 4.07Å; L67-I71 WeakPolarHBondContact O-CB 3.48Å; L67-I71 WeakPolarHBondContact O-CD1 3.42Å; L67-I71 WeakPolarHBondContact O-CG1 3.29Å; L67-I71 PolarHBondContact O-N 2.84Å; L68-I71 PolarHBondContact O-N 3.41Å; I71-S74 PolarHBondContact O-N 2.91Å; I71-R75 PolarHBondContact O-N 3.31Å
72F59.8Low64.9Low113 Ų113106.2 Ų106.250%0.49655%0.55SS..Hα-helixtrans-73.5-35-177.9-154.9-98.5000112L68 K69 S74 R75 N76L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.28Å; L68-F72 PolarHBondContact O-N 3.35Å; K69-F72 PolarHBondContact O-N 2.92Å; F72-S74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 3.49Å; F72-R75 VanDerWaalsContact O-N 3.14Å; F72-N76 VanDerWaalsContact CE1-ND2 3.3Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.01Å; F72-N76 PolarHBondContact O-N 3.23Å
73W52.5Low63.5Low216 Ų216102.7 Ų102.782%0.81854%0.542SS*.Hα-helixtrans-67.1-37172.7-14040.7000111.7K69 R75 N76 G77K69-W73 VanDerWaalsContact O-CB 3.3Å; K69-W73 WeakPolarHBondContact O-CB 3.42Å; K69-W73 PolarHBondContact O-N 3.41Å; W73-R75 PolarHBondContact O-N 3.26Å; W73-N76 PolarHBondContact O-N 2.95Å; W73-G77 PolarHBondContact O-N 3.22Å
74S52.8Low62.1Low79 Ų79102.8 Ų102.855%0.55255%0.546SS*.Hα-helixtrans-63.4-23.8171.11260000113.4T70 I71 F72T70-S74 WeakPolarHBondContact O-CB 3.2Å; T70-S74 PolarHBondContact O-N 3.43Å; I71-S74 PolarHBondContact O-N 2.91Å; F72-S74 VanDerWaalsContact C-N 3.35Å
75R49.7Very low60.6Low146 Ų146101.7 Ų101.755%0.55155%0.548SS*.Hα-helixtrans-89.1-40.3178.8-164.7146.274.5171.67.8112.4I71 F72 W73 G77 H78I71-R75 PolarHBondContact O-N 3.31Å; F72-R75 PolarHBondContact O-N 3.49Å; F72-R75 VanDerWaalsContact O-N 3.14Å; W73-R75 PolarHBondContact O-N 3.26Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 2.91Å; R75-H78 PolarHBondContact O-N 3.49Å
76N48.9Very low59.3Low102 Ų102102.8 Ų102.855%0.54555%0.547SS..Hα-helixtrans-74.5-19.4-179.2-76.38.5000114.1F72 W73F72-N76 VanDerWaalsContact CE1-ND2 3.3Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.01Å; F72-N76 PolarHBondContact O-N 3.23Å; W73-N76 PolarHBondContact O-N 2.95Å
77G49.5Very low58.3Low60 Ų60109.3 Ų109.362%0.61957%0.565SS**THydrogen-bonded Turntrans-84.2-11175.900000115.5W73 R75W73-G77 PolarHBondContact O-N 3.22Å; R75-G77 VanDerWaalsContact C-N 3.33Å; R75-G77 PolarHBondContact O-N 2.91Å
78H50.3Low57.2Low123 Ų123107.2 Ų107.257%0.56956%0.562SS**THydrogen-bonded Turntrans-104.5-9.2-171.8-93.6-33.2000115.6R75 T82R75-H78 PolarHBondContact O-N 3.49Å; H78-T82 PolarHBondContact O-OG1 3.31Å
79D48.4Very low56Low113 Ų113109.6 Ų109.660%0.60456%0.564SS**Hα-helixtrans-81.4-18.4-173.5-74.3-16.9000113.8
80G52.1Low55.1Low54 Ų54110.5 Ų110.556%0.55756%0.563SS**Hα-helixtrans-85.1-35.8175.300000114.4V84G80-V84 WeakPolarHBondContact O-CG2 3.27Å
81S51.9Low54.4Low68 Ų68109.5 Ų109.548%0.47656%0.56SS.*Hα-helixtrans-82.7-30.5-173.2168.90000113.2Q85S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.34Å; S81-Q85 VanDerWaalsContact O-N 3.12Å
82T54.3Low53.8Low74 Ų74110 Ų11045%0.45456%0.563SS.*Hα-helixtrans-73.8-35.6-178.344.40000112.2H78 Q86H78-T82 PolarHBondContact O-OG1 3.31Å; T82-Q86 WeakPolarHBondContact O-CB 3.26Å; T82-Q86 PolarHBondContact O-N 2.85Å
83D57.2Low53.5Low85 Ų85110.9 Ų110.946%0.45556%0.563SS.*Hα-helixtrans-66.6-42.1175.9-170.364.9000112Q86 R87D83-Q86 PolarHBondContact O-N 2.85Å; D83-R87 WeakPolarHBondContact O-CB 3.5Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD2-CZ 3.84Å; D83-R87 IonicContact OD2-NH2 3.88Å
84V56.5Low53.6Low99 Ų99110.6 Ų110.660%0.656%0.562SS**Hα-helixtrans-66.6-44.3177.7-179.70000111.4G80 Q86 R87 A88G80-V84 WeakPolarHBondContact O-CG2 3.27Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 2.92Å; V84-R87 PolarHBondContact O-N 3.46Å; V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 3.26Å
85Q53.8Low53.5Low143 Ų143116.6 Ų116.667%0.66857%0.573SS**Hα-helixtrans-63.9-39.4175.7-72.5-105.6-42.600111.7S81 W89S81-Q85 WeakPolarHBondContact O-CB 3.35Å; S81-Q85 WeakPolarHBondContact O-CG 3.06Å; S81-Q85 PolarHBondContact O-N 3.34Å; S81-Q85 VanDerWaalsContact O-N 3.12Å; Q85-W89 VanDerWaalsContact O-CB 3.26Å; Q85-W89 WeakPolarHBondContact O-CB 3.4Å; Q85-W89 PolarHBondContact O-N 2.96Å
86Q56.3Low53.4Low109 Ų109115.5 Ų115.551%0.50957%0.574SS.*Hα-helixtrans-74.5-32.7179.9-167.7150.9-4300112.6T82 D83 V84 R90T82-Q86 WeakPolarHBondContact O-CB 3.26Å; T82-Q86 PolarHBondContact O-N 2.85Å; D83-Q86 PolarHBondContact O-N 2.85Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-Q86 PolarHBondContact O-N 2.92Å; Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.39Å
87R58.9Low53.5Low178 Ų178116.4 Ų116.467%0.67258%0.575SS**Hα-helixtrans-70.3-41172.6-169.7176-83173.1-3.5111.4D83 V84 R90 S91D83-R87 WeakPolarHBondContact O-CB 3.5Å; D83-R87 PolarHBondContact O-N 3.36Å; D83-R87 IonicContact OD2-CZ 3.84Å; D83-R87 IonicContact OD2-NH2 3.88Å; V84-R87 PolarHBondContact O-N 3.46Å; R87-R90 PolarHBondContact O-N 3.49Å; R87-S91 PolarHBondContact O-N 2.93Å; R87-S91 VanDerWaalsContact O-N 3.13Å
88A55.3Low53.7Low50 Ų50116.8 Ų116.841%0.41358%0.579SS.*Hα-helixtrans-66.7-35.7172.100000112.8V84 S91 N92V84-A88 WeakPolarHBondContact O-CB 3Å; V84-A88 PolarHBondContact O-N 3.26Å; A88-S91 PolarHBondContact O-OG 3.32Å; A88-N92 PolarHBondContact O-N 2.82Å; A88-N92 VanDerWaalsContact O-N 3.14Å
89W54.3Low53.4Low154 Ų154117.6 Ų117.658%0.58359%0.586SS**Hα-helixtrans-69.6-39.1176-169.680.6000112.4Q85 R93Q85-W89 VanDerWaalsContact O-CB 3.26Å; Q85-W89 WeakPolarHBondContact O-CB 3.4Å; Q85-W89 PolarHBondContact O-N 2.96Å; W89-R93 WeakPolarHBondContact O-CB 3.27Å; W89-R93 PolarHBondContact O-N 2.89Å; W89-R93 VanDerWaalsContact O-N 3.09Å
90R54.5Low53.3Low171 Ų171121.6 Ų121.665%0.64559%0.593SS**Hα-helixtrans-66.7-34.2174.7-80.2-173.8178.9160.10113Q86 R87Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.4Å; Q86-R90 PolarHBondContact O-N 3.39Å; R87-R90 PolarHBondContact O-N 3.49Å
91S55.4Low53Low73 Ų73124.1 Ų124.151%0.5160%0.603SS.*Hα-helixtrans-73.5-38.4177.270.30000112.5R87 A88 R95R87-S91 PolarHBondContact O-N 2.93Å; R87-S91 VanDerWaalsContact O-N 3.13Å; A88-S91 PolarHBondContact O-OG 3.32Å; S91-R95 PolarHBondContact O-N 3.48Å
92N57Low52.9Low100 Ų100127.8 Ų127.854%0.53562%0.615SS.*Hα-helixtrans-71.1-29.8176.5-99.6-30000113.4A88 R95 Q96A88-N92 PolarHBondContact O-N 2.82Å; A88-N92 VanDerWaalsContact O-N 3.14Å; N92-R95 PolarHBondContact O-N 3.31Å; N92-Q96 PolarHBondContact O-N 2.9Å
93R53.2Low52.4Low131 Ų131129 Ų12949%0.49463%0.626SS.*Hα-helixtrans-65.3-40.2177.6-166.4167.5-174170.91.6112.5W89 Q96 E97W89-R93 WeakPolarHBondContact O-CB 3.27Å; W89-R93 PolarHBondContact O-N 2.89Å; W89-R93 VanDerWaalsContact O-N 3.09Å; R93-Q96 PolarHBondContact O-N 3Å; R93-E97 PolarHBondContact O-N 3.5Å
94R55.6Low51.9Low211 Ų211133.3 Ų133.380%0.79665%0.645SS**Hα-helixtrans-67.9-31.5174.5-72.3-170-177.3-1740.9113.2
95R50.4Low51.1Low205 Ų205136.7 Ų136.777%0.77465%0.654SS**Hα-helixtrans-74.9-31.6174.7-104.1-169.8-176.8-167.71.6113.5S91 N92S91-R95 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.31Å
96Q47.1Very low50.9Low122 Ų122136.1 Ų136.157%0.5766%0.661SS**Hα-helixtrans-80.1-20.1178.7-78.6-150.7-900114.4N92 R93 G98 L99 R100N92-Q96 PolarHBondContact O-N 2.9Å; R93-Q96 PolarHBondContact O-N 3Å; Q96-G98 PolarHBondContact O-N 3.45Å; Q96-L99 PolarHBondContact O-N 3.12Å; Q96-L99 VanDerWaalsContact O-N 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.23Å; Q96-R100 PolarHBondContact O-N 2.94Å
97E51.5Low50Low121 Ų121140.2 Ų140.257%0.56568%0.677SS**THydrogen-bonded Turntrans-65.1-20.1174-78.5163.1-175.500112.4R93R93-E97 PolarHBondContact O-N 3.5Å
98G53.3Low49.4Very low68 Ų68141.7 Ų141.770%0.70169%0.688SS**THydrogen-bonded Turntrans-90.6-8.9171.500000116.2Q96Q96-G98 PolarHBondContact O-N 3.45Å
99L45.2Very low48.7Very low140 Ų140150.1 Ų150.173%0.73371%0.709SS**SBendtrans-11813-176.5-79.7169.1000113.2Q96 S101Q96-L99 PolarHBondContact O-N 3.12Å; Q96-L99 VanDerWaalsContact O-N 3.16Å; L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.5Å
100R45.4Very low48Very low197 Ų197148.9 Ų148.974%0.74372%0.718SS**THydrogen-bonded Turntrans-81.315.1-173.1-104.5-179-178.6-150.7-1.3115.7Q96Q96-R100 WeakPolarHBondContact O-CG 3.23Å; Q96-R100 PolarHBondContact O-N 2.94Å
101S46.3Very low47.7Very low108 Ų108146.1 Ų146.176%0.75573%0.725SS**THydrogen-bonded Turntrans-104.6-3.2175.159.30000115L99L99-S101 VanDerWaalsContact C-N 3.25Å; L99-S101 PolarHBondContact O-N 3.5Å
102I49.7Very low47.4Very low145 Ų145146.7 Ų146.774%0.74473%0.729SS**SBendtrans-131.9114.3-176.8-54.7179.5000112.5
103C42.4Very low46.9Very low100 Ų100151.5 Ų151.568%0.67675%0.745SS**  trans90.8107.8151.1-1610000118.7H105C103-H105 PolarHBondContact SG-CD2 3.06Å
104M48.6Very low46.6Very low174 Ų174156.6 Ų156.686%0.85777%0.765SS**  trans-73.5133.4154.7-74.5-140.294.500109.9
105H37.8Very low46.2Very low170 Ų170148.7 Ų148.779%0.78775%0.749SS**  trans-138.3129.3147.1-91.8-69.1000110.8C103 K107C103-H105 PolarHBondContact SG-CD2 3.06Å; H105-K107 PolarHBondContact O-N 2.85Å
106T51.4Low46.5Very low132 Ų132145.7 Ų145.781%0.8175%0.748SS**  trans-63.5109.4179.438.10000111.4
107K36.6Very low46.9Very low195 Ų195147.1 Ų147.185%0.84875%0.753SS**  trans-112.599.2156.7-94.9-179.1176.7176.30109.3H105 R109H105-K107 PolarHBondContact O-N 2.85Å; K107-R109 PolarHBondContact O-N 3.23Å
108K45.4Very low47.3Very low209 Ų209146.8 Ų146.891%0.90975%0.754SS**  trans-53.2107.1162-84.2-176.6175.61770107.9
109R42Very low47.5Very low227 Ų227148 Ų14886%0.85775%0.747SS**  trans-90.6108.2162.4-72.5-169.7179-168.1-0.1107.3K107 S111K107-R109 PolarHBondContact O-N 3.23Å; R109-S111 PolarHBondContact O-N 3.4Å
110V39.6Very low48.6Very low128 Ų128146.4 Ų146.478%0.77674%0.739SS**  trans-61.4105.5165.1176.80000106.9
111S46.8Very low49.7Very low112 Ų112143.6 Ų143.678%0.78373%0.732SS**  trans-101.176.7178.856.50000110R109R109-S111 PolarHBondContact O-N 3.4Å
112S50Low51Low85 Ų85142.8 Ų142.859%0.59472%0.719SS**  trans-113.278.1175590000111.6
113F45.9Very low52.1Low201 Ų201140 Ų14088%0.88271%0.708SS**  trans-139.577.4143.9-93.5-77.8000108.8G115F113-G115 VanDerWaalsContact C-N 3.32Å
114R48.3Very low53.8Low239 Ų239138.7 Ų138.790%0.90269%0.694SS**  trans-97.243.7176.7-163.3-176.5-175-138.42.9109.9
115G47.1Very low55.3Low45 Ų45134.2 Ų134.246%0.46468%0.677SS.*SBendtrans-106-50.9-176.100000114.2F113F113-G115 VanDerWaalsContact C-N 3.32Å
116N56.4Low57.3Low141 Ų141131.4 Ų131.475%0.75467%0.667SS**SBendtrans-103-2.4-165.3-76.69000116.1L120N116-L120 PolarHBondContact O-N 3.1Å
117K56.2Low58.9Low153 Ų153132.2 Ų132.267%0.66566%0.655SS**Hα-helixtrans-76.2-22.5-176.3-70.7-177.3-178.7177.30113.7K121K117-K121 WeakPolarHBondContact O-CB 3.33Å; K117-K121 WeakPolarHBondContact O-CD 2.99Å; K117-K121 WeakPolarHBondContact O-CG 3.34Å; K117-K121 PolarHBondContact O-N 3.38Å
118I58.9Low61.1Low114 Ų114131.1 Ų131.159%0.58565%0.646SS**Hα-helixtrans-77.4-54.2-178.6-62.6169.6000109L120 K121 D122I118-L120 PolarHBondContact O-N 2.9Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.11Å; I118-D122 VanDerWaalsContact O-CG 3.32Å; I118-D122 PolarHBondContact O-N 3.26Å
119V57.9Low62.9Low93 Ų93125.5 Ų125.556%0.56462%0.622SS**Hα-helixtrans-57.8-43.6179.7-176.20000112.6K121 D122 V123V119-K121 PolarHBondContact O-N 2.84Å; V119-D122 PolarHBondContact O-N 3.41Å; V119-V123 HydrophobicContact CG1-CG2 4.45Å; V119-V123 VanDerWaalsContact O-CG2 3.28Å; V119-V123 WeakPolarHBondContact O-CG2 2.81Å; V119-V123 PolarHBondContact O-N 2.94Å
120L68.4Low65Low107 Ų107118.2 Ų118.256%0.5660%0.603SS**Hα-helixtrans-66.3-37.9179.4-176.663.1000112.4N116 I118 D122 V123 I124N116-L120 PolarHBondContact O-N 3.1Å; I118-L120 PolarHBondContact O-N 2.9Å; L120-D122 VanDerWaalsContact C-N 3.33Å; L120-V123 PolarHBondContact O-N 3.11Å; L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.5Å; L120-I124 WeakPolarHBondContact O-CD1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 2.66Å
121K69Low67Low138 Ų138115.4 Ų115.460%0.658%0.581SS**Hα-helixtrans-65.6-39.1176.2-76.9175.7-178.4-174.10111.1K117 I118 V119 I124 T125K117-K121 WeakPolarHBondContact O-CB 3.33Å; K117-K121 WeakPolarHBondContact O-CD 2.99Å; K117-K121 WeakPolarHBondContact O-CG 3.34Å; K117-K121 PolarHBondContact O-N 3.38Å; I118-K121 PolarHBondContact O-N 3.48Å; I118-K121 VanDerWaalsContact O-N 3.11Å; V119-K121 PolarHBondContact O-N 2.84Å; K121-I124 PolarHBondContact O-N 2.91Å; K121-T125 WeakPolarHBondContact O-CB 3.28Å; K121-T125 WeakPolarHBondContact O-CG2 3.21Å; K121-T125 PolarHBondContact O-N 3.39Å; K121-T125 PolarHBondContact O-OG1 3.3Å
122D72.4Confident69Low91 Ų91114 Ų11449%0.48757%0.568SS.*Hα-helixtrans-69.2-39179-63.8-21.8000111.6I118 V119 L120 T125 L126I118-D122 VanDerWaalsContact O-CG 3.32Å; I118-D122 PolarHBondContact O-N 3.26Å; V119-D122 PolarHBondContact O-N 3.41Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-T125 VanDerWaalsContact CA-OG1 3.29Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 PolarHBondContact O-N 3.16Å; D122-T125 PolarHBondContact O-OG1 3.35Å; D122-L126 WeakPolarHBondContact O-CB 3.45Å; D122-L126 PolarHBondContact O-N 3.36Å
123V72.3Confident70.8Confident85 Ų85115.9 Ų115.952%0.51557%0.566SS.*Hα-helixtrans-66.3-41.6174.21730000111.6V119 L120 R127V119-V123 HydrophobicContact CG1-CG2 4.45Å; V119-V123 VanDerWaalsContact O-CG2 3.28Å; V119-V123 WeakPolarHBondContact O-CG2 2.81Å; V119-V123 PolarHBondContact O-N 2.94Å; L120-V123 PolarHBondContact O-N 3.11Å; V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.47Å; V123-R127 PolarHBondContact O-N 2.8Å
124I78.1Confident72.9Confident74 Ų74109.8 Ų109.838%0.37955%0.545SS..Hα-helixtrans-67.8-41.1178.6-68.6166.6000111.2L120 K121 R127 R128L120-I124 HydrophobicContact CD1-CD1 4.06Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.5Å; L120-I124 WeakPolarHBondContact O-CD1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 2.66Å; K121-I124 PolarHBondContact O-N 2.91Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R128 WeakPolarHBondContact O-CG 3.48Å; I124-R128 PolarHBondContact O-N 3.04Å
125T81.7Confident74.6Confident80 Ų80105.8 Ų105.849%0.49153%0.53SS..Hα-helixtrans-68.1-42.7177.647.10000111.4K121 D122 R127 R128 H129K121-T125 WeakPolarHBondContact O-CB 3.28Å; K121-T125 WeakPolarHBondContact O-CG2 3.21Å; K121-T125 PolarHBondContact O-N 3.39Å; K121-T125 PolarHBondContact O-OG1 3.3Å; D122-T125 VanDerWaalsContact CA-OG1 3.29Å; D122-T125 WeakPolarHBondContact CA-OG1 3.45Å; D122-T125 PolarHBondContact O-N 3.16Å; D122-T125 PolarHBondContact O-OG1 3.35Å; T125-R127 PolarHBondContact O-N 2.93Å; T125-R128 PolarHBondContact O-N 3.24Å; T125-H129 WeakPolarHBondContact O-CB 3.29Å; T125-H129 PolarHBondContact O-N 3.45Å
126L79.3Confident76.4Confident110 Ų110105.9 Ų105.958%0.57653%0.526SS*.Hα-helixtrans-60.8-44.5174.5-173.965.3000111.5D122 R128 H129 V130D122-L126 WeakPolarHBondContact O-CB 3.45Å; D122-L126 PolarHBondContact O-N 3.36Å; L126-R128 PolarHBondContact O-N 2.95Å; L126-H129 PolarHBondContact O-N 3.41Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 2.85Å
127R84.8Confident77.8Confident150 Ų150106.8 Ų106.857%0.56652%0.523SS*.Hα-helixtrans-58.9-48.1175.3-179.2-177.6167.5-164.6-2.5111.6V123 I124 T125 H129 V130 E131V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.47Å; V123-R127 PolarHBondContact O-N 2.8Å; I124-R127 PolarHBondContact O-N 3.47Å; T125-R127 PolarHBondContact O-N 2.93Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 2.86Å; R127-V130 PolarHBondContact O-N 3.42Å; R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 3.3Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 2.82Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.1Å; R127-E131 PolarHBondContact NH2-OE1 3.44Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.31Å; R127-E131 PolarHBondContact O-N 3.46Å
128R82.3Confident79Confident172 Ų172104.4 Ų104.465%0.64952%0.517SS*.Hα-helixtrans-60.3-41.4177.6-75.5177.2177.9-175.40.3111.6I124 T125 L126 E131 T132I124-R128 WeakPolarHBondContact O-CG 3.48Å; I124-R128 PolarHBondContact O-N 3.04Å; T125-R128 PolarHBondContact O-N 3.24Å; L126-R128 PolarHBondContact O-N 2.95Å; R128-E131 PolarHBondContact O-N 3.38Å; R128-T132 WeakPolarHBondContact O-CG2 3.35Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 3.44Å
129H83.6Confident80Confident90 Ų90107.6 Ų107.642%0.41752%0.522SS..Hα-helixtrans-66.4-39.5178.4173.7-103.6000112.9T125 L126 R127 T132 K133T125-H129 WeakPolarHBondContact O-CB 3.29Å; T125-H129 PolarHBondContact O-N 3.45Å; L126-H129 PolarHBondContact O-N 3.41Å; R127-H129 VanDerWaalsContact C-N 3.3Å; R127-H129 PolarHBondContact O-N 2.86Å; H129-T132 PolarHBondContact O-OG1 3.38Å; H129-K133 WeakPolarHBondContact CE1-CE 3.42Å; H129-K133 PolarHBondContact CE1-NZ 2.86Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 3.39Å; H129-K133 WeakPolarHBondContact O-CG 3.23Å; H129-K133 PolarHBondContact O-N 3.48Å; H129-K133 VanDerWaalsContact O-N 3.1Å
130V86.4Confident81Confident75 Ų75110.6 Ų110.646%0.45553%0.527SS..Hα-helixtrans-67.8-43.9174.1173.70000110.7L126 R127 T132 K133 V134L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 2.85Å; R127-V130 PolarHBondContact O-N 3.42Å; V130-T132 VanDerWaalsContact C-N 3.35Å; V130-T132 PolarHBondContact O-N 2.85Å; V130-K133 PolarHBondContact O-N 3.06Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.31Å; V130-V134 PolarHBondContact O-N 3.48Å
131E81Confident81.3Confident69 Ų69114.6 Ų114.632%0.32253%0.534SS..Hα-helixtrans-60.7-40.9177.7-76.7-177.3-172.700112.1R127 R128 V134 R135R127-E131 HydrophobicContact CG-CG 4.49Å; R127-E131 IonicContact CZ-OE1 3.3Å; R127-E131 VanDerWaalsContact CZ-OE1 3.3Å; R127-E131 IonicContact NE-OE1 2.82Å; R127-E131 PolarHBondContact NE-OE1 3.06Å; R127-E131 IonicContact NH2-OE1 3.1Å; R127-E131 PolarHBondContact NH2-OE1 3.44Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.31Å; R127-E131 PolarHBondContact O-N 3.46Å; R128-E131 PolarHBondContact O-N 3.38Å; E131-V134 PolarHBondContact O-N 3.33Å; E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 2.86Å
132T88.5Confident81.4Confident83 Ų83115.4 Ų115.451%0.50954%0.538SS..Hα-helixtrans-67.6-41176.155.60000112R128 H129 V130 R135 A136R128-T132 WeakPolarHBondContact O-CG2 3.35Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 3.44Å; H129-T132 PolarHBondContact O-OG1 3.38Å; V130-T132 VanDerWaalsContact C-N 3.35Å; V130-T132 PolarHBondContact O-N 2.85Å; T132-R135 PolarHBondContact O-N 3.27Å; T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 2.82Å
133K88.6Confident81.2Confident123 Ų123115 Ų11554%0.53554%0.538SS..Hα-helixtrans-62.1-43.1174.6-80.4-169.7172.5179.60112.4H129 V130 A136 K137H129-K133 WeakPolarHBondContact CE1-CE 3.42Å; H129-K133 PolarHBondContact CE1-NZ 2.86Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 3.39Å; H129-K133 WeakPolarHBondContact O-CG 3.23Å; H129-K133 PolarHBondContact O-N 3.48Å; H129-K133 VanDerWaalsContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 3.06Å; K133-A136 PolarHBondContact O-N 3.44Å; K133-K137 WeakPolarHBondContact O-CG 3.37Å; K133-K137 PolarHBondContact O-N 2.96Å
134V90Very high80.6Confident74 Ų74114.4 Ų114.445%0.44854%0.535SS..Hα-helixtrans-65.5-46.2176.9171.70000110.4V130 E131 A136 K137 I138V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 WeakPolarHBondContact O-CG2 3.31Å; V130-V134 PolarHBondContact O-N 3.48Å; E131-V134 PolarHBondContact O-N 3.33Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.43Å; V134-K137 PolarHBondContact O-N 2.87Å; V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.38Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.99Å
135R84.1Confident79.8Confident155 Ų155115.1 Ų115.159%0.58554%0.544SS*.Hα-helixtrans-60.8-40.6176-74.1174.9-176.9-162.22.8112.2E131 T132 I138 R139E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 WeakPolarHBondContact O-CG 3.44Å; E131-R135 PolarHBondContact O-N 2.86Å; T132-R135 PolarHBondContact O-N 3.27Å; R135-I138 PolarHBondContact O-N 3.13Å; R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 WeakPolarHBondContact O-CG 3.18Å; R135-R139 PolarHBondContact O-N 2.87Å
136A85.2Confident78.7Confident47 Ų47119.3 Ų119.339%0.38856%0.555SS.*Hα-helixtrans-64.6-42175.700000111.6T132 K133 V134 R139 K140T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.3Å; T132-A136 PolarHBondContact O-N 2.82Å; K133-A136 PolarHBondContact O-N 3.44Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.43Å; A136-R139 PolarHBondContact O-N 2.87Å; A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 WeakPolarHBondContact O-CG 3.34Å; A136-K140 PolarHBondContact O-N 3.34Å
137K84.3Confident77.7Confident159 Ų159119.4 Ų119.469%0.69156%0.555SS**Hα-helixtrans-63-43.2173.6-78-177.5177.3-175.80112.1K133 V134 K140 R141K133-K137 WeakPolarHBondContact O-CG 3.37Å; K133-K137 PolarHBondContact O-N 2.96Å; V134-K137 PolarHBondContact O-N 2.87Å; K137-K140 PolarHBondContact O-N 2.9Å; K137-R141 VanDerWaalsContact O-CB 3.3Å; K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 3.21Å
138I83.1Confident76.2Confident103 Ų103118.2 Ų118.253%0.52856%0.56SS.*Hα-helixtrans-63.3-45.3176.3-67.8167.7000110.6V134 R135 R141 K142V134-I138 HydrophobicContact CG1-CD1 3.76Å; V134-I138 HydrophobicContact CG1-CG1 4.38Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 2.99Å; R135-I138 PolarHBondContact O-N 3.13Å; I138-R141 PolarHBondContact O-N 3.49Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.43Å; I138-K142 PolarHBondContact O-N 2.92Å
139R79.8Confident75Confident182 Ų182117.6 Ų117.669%0.68756%0.564SS**Hα-helixtrans-62.2-46.9176.1-75.3178.4-179.8-179.7-1.1111.5R135 A136 R141 K142 V143R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 WeakPolarHBondContact O-CG 3.18Å; R135-R139 PolarHBondContact O-N 2.87Å; A136-R139 PolarHBondContact O-N 2.87Å; R139-R141 PolarHBondContact O-N 3.46Å; R139-K142 PolarHBondContact O-N 3.38Å; R139-V143 WeakPolarHBondContact O-CB 3.22Å; R139-V143 VanDerWaalsContact O-CG2 3.23Å; R139-V143 WeakPolarHBondContact O-CG2 3.41Å; R139-V143 PolarHBondContact O-N 3.47Å
140K78Confident73.6Confident156 Ų156121.3 Ų121.368%0.67858%0.581SS**Hα-helixtrans-58.3-46.6175.2-77-173.2178.6-169.10111.4A136 K137 V143 T144A136-K140 WeakPolarHBondContact O-CB 3.34Å; A136-K140 WeakPolarHBondContact O-CG 3.34Å; A136-K140 PolarHBondContact O-N 3.34Å; K137-K140 PolarHBondContact O-N 2.9Å; K140-V143 PolarHBondContact O-N 3.19Å; K140-T144 WeakPolarHBondContact O-CG2 3.36Å; K140-T144 PolarHBondContact O-N 3.09Å; K140-T144 PolarHBondContact O-OG1 3.47Å; K140-T144 VanDerWaalsContact O-OG1 3.13Å
141R73.8Confident72.1Confident190 Ų190123.8 Ų123.872%0.71759%0.592SS**Hα-helixtrans-62.7-43.2176.8-167.2177.5-175-165.31.8112K137 I138 R139 T144 T145K137-R141 VanDerWaalsContact O-CB 3.3Å; K137-R141 WeakPolarHBondContact O-CB 3.39Å; K137-R141 PolarHBondContact O-N 3.21Å; I138-R141 PolarHBondContact O-N 3.49Å; R139-R141 PolarHBondContact O-N 3.46Å; R141-T144 WeakPolarHBondContact CA-OG1 3.14Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 2.98Å; R141-T145 WeakPolarHBondContact O-CB 3.13Å; R141-T145 PolarHBondContact O-N 2.64Å; R141-T145 PolarHBondContact O-OG1 3.13Å
142K71.7Confident70.9Confident155 Ų155130.2 Ų130.267%0.67462%0.619SS**Hα-helixtrans-65.1-39.8177.4-168.6174.9-176.2177.70111.6I138 R139 K146I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.43Å; I138-K142 PolarHBondContact O-N 2.92Å; R139-K142 PolarHBondContact O-N 3.38Å; K142-K146 WeakPolarHBondContact O-CB 3.26Å; K142-K146 PolarHBondContact O-N 2.76Å
143V69.1Low69.4Low82 Ų82130.9 Ų130.950%0.49762%0.618SS.*Hα-helixtrans-66.4-46.1175.6169.30000110.8R139 K140 T145 K146 I147R139-V143 WeakPolarHBondContact O-CB 3.22Å; R139-V143 VanDerWaalsContact O-CG2 3.23Å; R139-V143 WeakPolarHBondContact O-CG2 3.41Å; R139-V143 PolarHBondContact O-N 3.47Å; K140-V143 PolarHBondContact O-N 3.19Å; V143-T145 PolarHBondContact O-N 3.49Å; V143-K146 PolarHBondContact O-N 3.47Å; V143-K146 VanDerWaalsContact O-N 3.13Å; V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 HydrophobicContact CG1-CG1 4.34Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 2.86Å
144T60Low67.9Low73 Ų73131.3 Ų131.345%0.44863%0.626SS.*Hα-helixtrans-66.8-36.2177.156.50000112.4K140 R141 K146 I147 N148K140-T144 WeakPolarHBondContact O-CG2 3.36Å; K140-T144 PolarHBondContact O-N 3.09Å; K140-T144 PolarHBondContact O-OG1 3.47Å; K140-T144 VanDerWaalsContact O-OG1 3.13Å; R141-T144 WeakPolarHBondContact CA-OG1 3.14Å; R141-T144 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-OG1 2.98Å; T144-K146 VanDerWaalsContact C-N 3.32Å; T144-K146 PolarHBondContact O-N 3.42Å; T144-I147 PolarHBondContact O-N 2.94Å; T144-N148 WeakPolarHBondContact O-CB 3.26Å; T144-N148 PolarHBondContact O-N 3.41Å; T144-N148 PolarHBondContact O-ND2 3.12Å
145T61.2Low66.2Low90 Ų90130.1 Ų130.155%0.55263%0.629SS**Hα-helixtrans-64-36.9171-58.20000111.9R141 V143R141-T145 WeakPolarHBondContact O-CB 3.13Å; R141-T145 PolarHBondContact O-N 2.64Å; R141-T145 PolarHBondContact O-OG1 3.13Å; V143-T145 PolarHBondContact O-N 3.49Å
146K57.5Low64.8Low167 Ų167131.3 Ų131.373%0.72664%0.638SS**Hα-helixtrans-70.3-40.2175.9-126.6-174.1177.5-1670112.3K142 V143 T144 N148 H149K142-K146 WeakPolarHBondContact O-CB 3.26Å; K142-K146 PolarHBondContact O-N 2.76Å; V143-K146 PolarHBondContact O-N 3.47Å; V143-K146 VanDerWaalsContact O-N 3.13Å; T144-K146 VanDerWaalsContact C-N 3.32Å; T144-K146 PolarHBondContact O-N 3.42Å; K146-N148 VanDerWaalsContact C-N 3.32Å; K146-H149 PolarHBondContact O-N 3.24Å
147I58Low63.3Low113 Ų113139.5 Ų139.558%0.57966%0.659SS**Hα-helixtrans-64.6-38.1176.5-67.5166.4000110.4V143 T144 H149 H150V143-I147 HydrophobicContact CG1-CD1 3.64Å; V143-I147 HydrophobicContact CG1-CG1 4.34Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 2.86Å; T144-I147 PolarHBondContact O-N 2.94Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å; I147-H150 PolarHBondContact O-N 3.37Å
148N54.9Low61.8Low124 Ų124137.8 Ų137.866%0.66365%0.652SS**THydrogen-bonded Turntrans-72.12.3176.4-75.9-16.9000115.3T144 K146T144-N148 WeakPolarHBondContact O-CB 3.26Å; T144-N148 PolarHBondContact O-N 3.41Å; T144-N148 PolarHBondContact O-ND2 3.12Å; K146-N148 VanDerWaalsContact C-N 3.32Å
149H56.3Low60.7Low160 Ų160136.3 Ų136.374%0.74165%0.648SS**THydrogen-bonded Turntrans-95.4-8.5172.8-156.6-28.7000112.7K146 I147K146-H149 PolarHBondContact O-N 3.24Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å
150H55.1Low60.1Low168 Ų168129.7 Ų129.778%0.77863%0.632SS**  trans-95.80.9-177-110.8-70.3000115.9I147 K152I147-H150 PolarHBondContact O-N 3.37Å; H150-K152 PolarHBondContact O-N 3.33Å
151D54.5Low59.9Low127 Ų127131.1 Ų131.168%0.67963%0.633SS**SBendtrans-67.6105.6163.1-80.3-13.9000107.9I153D151-I153 WeakPolarHBondContact O-CG1 3.45Å; D151-I153 PolarHBondContact O-N 2.9Å
152K54.5Low59.9Low204 Ų204129.2 Ų129.289%0.88763%0.63SS**  trans-56.791.4163.1-82.4176.4174.6176.20106.9H150 N154H150-K152 PolarHBondContact O-N 3.33Å; K152-N154 PolarHBondContact O-N 3.42Å
153I58.6Low60.1Low97 Ų97127.4 Ų127.450%0.49762%0.624SS.*  trans-6592171.5-62.9175.4000105.3D151 G155 K158D151-I153 WeakPolarHBondContact O-CG1 3.45Å; D151-I153 PolarHBondContact O-N 2.9Å; I153-G155 PolarHBondContact O-N 2.72Å; I153-K158 HydrophobicContact CG2-CD 3.62Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.76Å
154N57.2Low61Low131 Ų131130.3 Ų130.370%0.70163%0.63SS**  trans-51.8113176.5-147.8-9.4000106.9K152 K156 R157K152-N154 PolarHBondContact O-N 3.42Å; N154-K156 PolarHBondContact O-N 2.99Å; N154-R157 PolarHBondContact O-N 2.97Å
155G53.1Low62.3Low50 Ų50131.9 Ų131.952%0.51563%0.633SS.*THydrogen-bonded Turntrans-57.3-12.7-160.900000115.1I153 T159I153-G155 PolarHBondContact O-N 2.72Å; G155-T159 PolarHBondContact O-OG1 2.81Å
156K54.1Low63.4Low179 Ų179134 Ų13478%0.77864%0.635SS**Hα-helixtrans-72.6-34.6-178.7-62.8-175.6178.4-177.60114.4N154 A160N154-K156 PolarHBondContact O-N 2.99Å; K156-A160 PolarHBondContact O-N 3.23Å
157R54.3Low64.9Low220 Ų220132 Ų13283%0.8363%0.629SS**Hα-helixtrans-78.2-30.9-173.2-158.2175.4-172.8173.42.8113.5N154 R161N154-R157 PolarHBondContact O-N 2.97Å; R157-R161 PolarHBondContact O-N 3.35Å
158K53.5Low66.5Low122 Ų122135.7 Ų135.753%0.5364%0.635SS.*Hα-helixtrans-70.4-36.2175.7-80-170.9174.6168.20112I153 K162I153-K158 HydrophobicContact CG2-CD 3.62Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.76Å; K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 WeakPolarHBondContact O-CG 3.35Å; K158-K162 PolarHBondContact O-N 2.91Å
159T59.7Low68.1Low72 Ų72132.5 Ų132.544%0.44263%0.626SS.*Hα-helixtrans-68.4-44.1178.9-35.10000111.2G155 R161 K162 Q163G155-T159 PolarHBondContact O-OG1 2.81Å; T159-R161 PolarHBondContact O-N 3.12Å; T159-K162 PolarHBondContact O-N 3.25Å; T159-Q163 WeakPolarHBondContact O-CB 3.3Å; T159-Q163 VanDerWaalsContact O-CG 3.3Å; T159-Q163 WeakPolarHBondContact O-CG 3.33Å; T159-Q163 PolarHBondContact O-N 3.47Å
160A67.8Low69.8Low44 Ų44129.2 Ų129.236%0.36461%0.611SS.*Hα-helixtrans-63-41.1176.700000113K156 K164K156-A160 PolarHBondContact O-N 3.23Å; A160-K164 WeakPolarHBondContact O-CB 3.14Å; A160-K164 WeakPolarHBondContact O-CG 3.44Å; A160-K164 PolarHBondContact O-N 3.44Å
161R72.6Confident71.5Confident186 Ų186125 Ų12570%0.70259%0.592SS**Hα-helixtrans-69.2-40176.9-167178.1177.2174.60.2111.9R157 T159 K164 M165R157-R161 PolarHBondContact O-N 3.35Å; T159-R161 PolarHBondContact O-N 3.12Å; R161-K164 PolarHBondContact O-N 3.4Å; R161-M165 HydrophobicContact CG-CE 4.22Å; R161-M165 WeakPolarHBondContact O-CG 3.46Å; R161-M165 PolarHBondContact O-N 3.21Å
162K75.5Confident73.2Confident150 Ų150124.5 Ų124.565%0.65259%0.588SS**Hα-helixtrans-64.2-44.1174.2-82.8-173.7172.7-172.40112K158 T159 K164 M165 F166K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 WeakPolarHBondContact O-CG 3.35Å; K158-K162 PolarHBondContact O-N 2.91Å; T159-K162 PolarHBondContact O-N 3.25Å; K162-K164 PolarHBondContact O-N 2.77Å; K162-M165 HydrophobicContact CG-CE 4.33Å; K162-M165 PolarHBondContact O-N 3.1Å; K162-F166 WeakPolarHBondContact O-CB 3.34Å; K162-F166 PolarHBondContact O-N 3.48Å
163Q75.6Confident74.7Confident117 Ų117123.1 Ų123.155%0.54758%0.578SS.*Hα-helixtrans-61.3-43.4175.6-77.3173.6-18.600111.6T159 M165 F166 Q167T159-Q163 WeakPolarHBondContact O-CB 3.3Å; T159-Q163 VanDerWaalsContact O-CG 3.3Å; T159-Q163 WeakPolarHBondContact O-CG 3.33Å; T159-Q163 PolarHBondContact O-N 3.47Å; Q163-M165 PolarHBondContact O-N 3.01Å; Q163-F166 PolarHBondContact O-N 2.78Å; Q163-Q167 WeakPolarHBondContact O-CB 3.01Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.96Å
164K86.7Confident76.1Confident142 Ų142126 Ų12662%0.61758%0.582SS**Hα-helixtrans-62.2-39.1174.3-76.9-177.3178.7-173.10113A160 R161 K162 R168A160-K164 WeakPolarHBondContact O-CB 3.14Å; A160-K164 WeakPolarHBondContact O-CG 3.44Å; A160-K164 PolarHBondContact O-N 3.44Å; R161-K164 PolarHBondContact O-N 3.4Å; K162-K164 PolarHBondContact O-N 2.77Å; K164-R168 WeakPolarHBondContact O-CB 3.26Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.46Å
165M87.9Confident77.4Confident106 Ų106127.2 Ų127.252%0.52258%0.577SS.*Hα-helixtrans-68.5-38.9175.3-72.9-174.8-64.200111.8R161 K162 Q163 R168 A169R161-M165 HydrophobicContact CG-CE 4.22Å; R161-M165 WeakPolarHBondContact O-CG 3.46Å; R161-M165 PolarHBondContact O-N 3.21Å; K162-M165 HydrophobicContact CG-CE 4.33Å; K162-M165 PolarHBondContact O-N 3.1Å; Q163-M165 PolarHBondContact O-N 3.01Å; M165-R168 PolarHBondContact O-N 3.36Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.23Å
166F85.3Confident78.8Confident134 Ų134127.8 Ų127.859%0.58858%0.577SS**Hα-helixtrans-65.5-44.5176.3-171.9-103.4000112.1K162 Q163 R168 A169 Q170K162-F166 WeakPolarHBondContact O-CB 3.34Å; K162-F166 PolarHBondContact O-N 3.48Å; Q163-F166 PolarHBondContact O-N 2.78Å; F166-R168 PolarHBondContact O-N 2.96Å; F166-A169 PolarHBondContact O-N 3.4Å; F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 HydrophobicContact CE1-CG 4.25Å; F166-Q170 WeakPolarHBondContact O-CG 3.5Å; F166-Q170 PolarHBondContact O-N 3.23Å
167Q88Confident79.9Confident126 Ų126123.2 Ų123.259%0.58956%0.558SS**Hα-helixtrans-60.1-44.1173.3-75.3175.8-14.700111.7Q163 A169 Q170 E171Q163-Q167 WeakPolarHBondContact O-CB 3.01Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 2.96Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.46Å; Q167-Q170 PolarHBondContact O-N 3.32Å; Q167-E171 WeakPolarHBondContact O-CB 3.46Å; Q167-E171 PolarHBondContact O-N 2.92Å
168R90.9Very high81.3Confident190 Ų190116.4 Ų116.472%0.71754%0.539SS*.Hα-helixtrans-63.3-38.2175.4-79.6-176.7178.9-169-1.3113K164 M165 F166 E171 L172K164-R168 WeakPolarHBondContact O-CB 3.26Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.46Å; M165-R168 PolarHBondContact O-N 3.36Å; F166-R168 PolarHBondContact O-N 2.96Å; R168-E171 PolarHBondContact O-N 2.94Å; R168-L172 WeakPolarHBondContact O-CB 3.39Å; R168-L172 WeakPolarHBondContact O-CG 3.21Å; R168-L172 PolarHBondContact O-N 3.43Å
169A89.5Confident82.2Confident57 Ų57117.4 Ų117.447%0.47154%0.54SS..Hα-helixtrans-66.1-39.9175.900000111.7M165 F166 Q167 L172 R173M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.23Å; F166-A169 PolarHBondContact O-N 3.4Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.46Å; A169-L172 PolarHBondContact O-N 3.44Å; A169-R173 WeakPolarHBondContact O-CB 3.44Å; A169-R173 PolarHBondContact O-N 3.01Å
170Q91.1Very high82.6Confident91 Ų91119.4 Ų119.443%0.42554%0.544SS..Hα-helixtrans-65.6-40.8174.2-73.8-174.8-2800112.4F166 Q167 R173 R174F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 HydrophobicContact CE1-CG 4.25Å; F166-Q170 WeakPolarHBondContact O-CG 3.5Å; F166-Q170 PolarHBondContact O-N 3.23Å; Q167-Q170 PolarHBondContact O-N 3.32Å; Q170-R173 WeakPolarHBondContact O-CB 3.44Å; Q170-R173 PolarHBondContact O-N 3.47Å; Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.76Å
171E91.1Very high82.6Confident81 Ų81121.7 Ų121.738%0.37955%0.546SS..Hα-helixtrans-62.1-45.2175.6-178.766-165.700111.7Q167 R168 R173 R174 R175Q167-E171 WeakPolarHBondContact O-CB 3.46Å; Q167-E171 PolarHBondContact O-N 2.92Å; R168-E171 PolarHBondContact O-N 2.94Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.97Å; E171-R174 PolarHBondContact O-N 3.43Å; E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.02Å; E171-R175 IonicContact OE1-CZ 3.06Å; E171-R175 IonicContact OE1-NE 2.89Å; E171-R175 PolarHBondContact OE1-NE 3.25Å; E171-R175 VanDerWaalsContact OE1-NE 3.12Å; E171-R175 IonicContact OE1-NH2 3.42Å; E171-R175 PolarHBondContact OE1-NH2 3.33Å
172L91.3Very high82.4Confident115 Ų115118.3 Ų118.360%0.60255%0.549SS*.Hα-helixtrans-62.1-39175.2-75.4171000112.1R168 A169 R175 A176R168-L172 WeakPolarHBondContact O-CB 3.39Å; R168-L172 WeakPolarHBondContact O-CG 3.21Å; R168-L172 PolarHBondContact O-N 3.43Å; A169-L172 PolarHBondContact O-N 3.44Å; L172-R175 PolarHBondContact O-N 3.23Å; L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 2.99Å
173R86.2Confident82.2Confident175 Ų175117.7 Ų117.766%0.6655%0.546SS*.Hα-helixtrans-63-45.8175.3-177.2178.1173.4164.33.5111.6A169 Q170 E171 R175 A176 E177A169-R173 WeakPolarHBondContact O-CB 3.44Å; A169-R173 PolarHBondContact O-N 3.01Å; Q170-R173 WeakPolarHBondContact O-CB 3.44Å; Q170-R173 PolarHBondContact O-N 3.47Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.97Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.28Å; R173-A176 PolarHBondContact O-N 2.97Å; R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 3.95Å; R173-E177 IonicContact NE-OE1 3.94Å; R173-E177 PolarHBondContact NE-OE1 3.27Å; R173-E177 IonicContact NH2-OE1 2.93Å; R173-E177 WeakPolarHBondContact O-CG 3.43Å; R173-E177 PolarHBondContact O-N 2.92Å
174R86.3Confident81.8Confident159 Ų159113.7 Ų113.760%0.653%0.529SS*.Hα-helixtrans-59.9-43.9175.6-73.1179.2179.1178.5-1.4111.7Q170 E171 A176 E177 D178Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.76Å; E171-R174 PolarHBondContact O-N 3.43Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 2.8Å; R174-E177 PolarHBondContact O-N 3.38Å; R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.44Å
175R85.3Confident81.1Confident155 Ų155110.4 Ų110.459%0.58552%0.522SS*.Hα-helixtrans-63.1-38.3176-71-179.6-167.1-178.71.1113.3E171 L172 R173 D178 Y179E171-R175 WeakPolarHBondContact O-CG 3.45Å; E171-R175 PolarHBondContact O-N 3.02Å; E171-R175 IonicContact OE1-CZ 3.06Å; E171-R175 IonicContact OE1-NE 2.89Å; E171-R175 PolarHBondContact OE1-NE 3.25Å; E171-R175 VanDerWaalsContact OE1-NE 3.12Å; E171-R175 IonicContact OE1-NH2 3.42Å; E171-R175 PolarHBondContact OE1-NH2 3.33Å; L172-R175 PolarHBondContact O-N 3.23Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-R175 PolarHBondContact O-N 3.28Å; R175-D178 PolarHBondContact O-N 2.87Å; R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.85Å
176A81.6Confident80.1Confident62 Ų62110.3 Ų110.351%0.51253%0.529SS..Hα-helixtrans-67-41.9175.500000111.6L172 R173 R174 Y179 H180L172-A176 WeakPolarHBondContact O-CB 3.41Å; L172-A176 PolarHBondContact O-N 2.99Å; R173-A176 PolarHBondContact O-N 2.97Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 2.8Å; A176-Y179 PolarHBondContact O-N 3.35Å; A176-H180 WeakPolarHBondContact O-CB 3.3Å; A176-H180 PolarHBondContact O-N 2.85Å
177E78.9Confident79.1Confident84 Ų84108.2 Ų108.239%0.39353%0.531SS..Hα-helixtrans-63-42174.7-72.6172.7-165.700111.3R173 R174 H180 K181R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 3.95Å; R173-E177 IonicContact NE-OE1 3.94Å; R173-E177 PolarHBondContact NE-OE1 3.27Å; R173-E177 IonicContact NH2-OE1 2.93Å; R173-E177 WeakPolarHBondContact O-CG 3.43Å; R173-E177 PolarHBondContact O-N 2.92Å; R174-E177 PolarHBondContact O-N 3.38Å; E177-H180 PolarHBondContact O-N 3.3Å; E177-K181 VanDerWaalsContact O-CG 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 2.93Å
178D82.4Confident78.1Confident77 Ų77104 Ų10441%0.41252%0.518SS..Hα-helixtrans-71-37.2178-68.1-22.3000112.2R174 R175 H180 K181 C182R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.28Å; R174-D178 PolarHBondContact O-N 3.44Å; R175-D178 PolarHBondContact O-N 2.87Å; D178-H180 VanDerWaalsContact C-N 3.34Å; D178-H180 PolarHBondContact O-N 3.26Å; D178-K181 WeakPolarHBondContact O-CB 3.37Å; D178-K181 PolarHBondContact O-N 3.06Å; D178-K181 IonicContact OD1-NZ 3.12Å; D178-K181 PolarHBondContact OD1-NZ 3.08Å; D178-K181 VanDerWaalsContact OD1-NZ 3.1Å; D178-C182 WeakPolarHBondContact O-CB 3.48Å; D178-C182 PolarHBondContact O-N 3.12Å; D178-C182 PolarHBondContact O-SG 2.89Å
179Y72.4Confident77Confident143 Ų14399.4 Ų99.456%0.56150%0.501SS*.Hα-helixtrans-61-42.3171-176.8-100.9000112R175 A176 K181 C182 K183R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.85Å; A176-Y179 PolarHBondContact O-N 3.35Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; Y179-C182 PolarHBondContact O-N 3.33Å; Y179-K183 HydrophobicContact CD1-CD 4.23Å; Y179-K183 HydrophobicContact CE1-CD 3.55Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.28Å; Y179-K183 PolarHBondContact O-N 2.89Å; Y179-K183 WeakPolarHBondContact OH-CE 3.36Å; Y179-K183 PolarHBondContact OH-NZ 3Å
180H69.4Low76Confident114 Ų114104 Ų10453%0.52851%0.51SS..Hα-helixtrans-65.6-38.3175.3-172.172.3000111.8A176 E177 D178 I184A176-H180 WeakPolarHBondContact O-CB 3.3Å; A176-H180 PolarHBondContact O-N 2.85Å; E177-H180 PolarHBondContact O-N 3.3Å; D178-H180 VanDerWaalsContact C-N 3.34Å; D178-H180 PolarHBondContact O-N 3.26Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.41Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 PolarHBondContact O-N 3.2Å
181K67.6Low74.9Confident91 Ų91102.6 Ų102.640%0.39651%0.514SS..Hα-helixtrans-62.3-47.4171.8-72172.1-165.5159.70111E177 D178 Y179 K183 I184 R189E177-K181 VanDerWaalsContact O-CG 3.28Å; E177-K181 WeakPolarHBondContact O-CG 3.34Å; E177-K181 PolarHBondContact O-N 2.93Å; D178-K181 WeakPolarHBondContact O-CB 3.37Å; D178-K181 PolarHBondContact O-N 3.06Å; D178-K181 IonicContact OD1-NZ 3.12Å; D178-K181 PolarHBondContact OD1-NZ 3.08Å; D178-K181 VanDerWaalsContact OD1-NZ 3.1Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.12Å; K181-I184 PolarHBondContact O-N 3.42Å; K181-R189 VanDerWaalsContact CB-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 3.42Å
182C68.4Low73.8Confident115 Ų115103.2 Ų103.278%0.77752%0.519SS*.Hα-helixtrans-68.3-28.6-178.4-67.80000113.2D178 Y179D178-C182 WeakPolarHBondContact O-CB 3.48Å; D178-C182 PolarHBondContact O-N 3.12Å; D178-C182 PolarHBondContact O-SG 2.89Å; Y179-C182 PolarHBondContact O-N 3.33Å
183K70.3Confident72.7Confident137 Ų137101.5 Ų101.560%0.59652%0.516SS*.Hα-helixtrans-79.9-25.8177.4-87.3-164.6162.2-178.80114.8Y179 K181Y179-K183 HydrophobicContact CD1-CD 4.23Å; Y179-K183 HydrophobicContact CE1-CD 3.55Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 WeakPolarHBondContact O-CB 3.28Å; Y179-K183 PolarHBondContact O-N 2.89Å; Y179-K183 WeakPolarHBondContact OH-CE 3.36Å; Y179-K183 PolarHBondContact OH-NZ 3Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 3.12Å
184I66.7Low72.1Confident34 Ų3497.2 Ų97.217%0.17451%0.506CS..SBendtrans-106.5113.4-178.4-54.2-175.2000109.6H180 K181 A188 R189H180-I184 WeakPolarHBondContact CE1-CD1 3.41Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 PolarHBondContact O-N 3.2Å; K181-I184 PolarHBondContact O-N 3.42Å; I184-A188 HydrophobicContact CG2-CB 3.72Å; I184-R189 HydrophobicContact CB-CG 3.99Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.47Å; I184-R189 VanDerWaalsContact CG2-CG 3.47Å; I184-R189 PolarHBondContact O-NE 3.38Å; I184-R189 VanDerWaalsContact O-NE 3.16Å; I184-R189 PolarHBondContact O-NH2 3.29Å
185P71.8Confident71.4Confident72 Ų7298.2 Ų98.247%0.46851%0.51SS..  trans-58.8145.717722.2-30.1000110.3S187 A188 R189P185-S187 PolarHBondContact O-N 2.62Å; P185-A188 HydrophobicContact CG-CB 3.86Å; P185-A188 PolarHBondContact O-N 3.22Å; P185-R189 PolarHBondContact O-N 2.82Å
186P67.3Low70.7Confident104 Ų10494.6 Ų94.668%0.67551%0.505SS*.Hα-helixtrans-52.6-33.5-175.3-27.934.5000114.2R189 K190P186-R189 PolarHBondContact O-N 3.46Å; P186-K190 PolarHBondContact O-N 3.43Å
187S65.7Low70.1Confident91 Ų91100.9 Ų100.964%0.63652%0.515SS*.Hα-helixtrans-64-43.7175.752.70000113.1P185 R189 K190 A191P185-S187 PolarHBondContact O-N 2.62Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.44Å; S187-K190 PolarHBondContact O-N 2.86Å; S187-A191 PolarHBondContact O-N 2.9Å
188A65.8Low69.5Low38 Ų38102.9 Ų102.931%0.31453%0.526SS..Hα-helixtrans-69.6-29.1179.100000112.3I184 P185 A191 L192I184-A188 HydrophobicContact CG2-CB 3.72Å; P185-A188 HydrophobicContact CG-CB 3.86Å; P185-A188 PolarHBondContact O-N 3.22Å; A188-A191 PolarHBondContact O-N 3.48Å; A188-L192 WeakPolarHBondContact O-CB 3.49Å; A188-L192 PolarHBondContact O-N 3.39Å
189R67.2Low68.6Low93 Ų93101 Ų10135%0.35152%0.522SS..Hα-helixtrans-65-39.6172.9-60.5-168.5-154.9155.813.4112.2K181 I184 P185 P186 S187 L192 C193K181-R189 VanDerWaalsContact CB-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 3.42Å; I184-R189 HydrophobicContact CB-CG 3.99Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.47Å; I184-R189 VanDerWaalsContact CG2-CG 3.47Å; I184-R189 PolarHBondContact O-NE 3.38Å; I184-R189 VanDerWaalsContact O-NE 3.16Å; I184-R189 PolarHBondContact O-NH2 3.29Å; P185-R189 PolarHBondContact O-N 2.82Å; P186-R189 PolarHBondContact O-N 3.46Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.44Å; R189-L192 PolarHBondContact O-N 3.02Å; R189-C193 WeakPolarHBondContact O-CB 3.22Å; R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 PolarHBondContact O-SG 3.5Å; R189-C193 VanDerWaalsContact O-SG 3.37Å
190K68.9Low68Low153 Ų15396.4 Ų96.467%0.66551%0.513SS*.Hα-helixtrans-66.2-41.8177.9-163.1175.7-177-178.60110.9P186 S187 N194P186-K190 PolarHBondContact O-N 3.43Å; S187-K190 PolarHBondContact O-N 2.86Å; K190-N194 WeakPolarHBondContact O-CB 3.42Å; K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 3.45Å
191A69.1Low67.6Low61 Ų6192.7 Ų92.750%0.50450%0.502SS..Hα-helixtrans-62.8-44173.800000112.1S187 A188 N194 W195S187-A191 PolarHBondContact O-N 2.9Å; A188-A191 PolarHBondContact O-N 3.48Å; A191-N194 PolarHBondContact O-N 3.47Å; A191-W195 WeakPolarHBondContact O-CB 3.42Å; A191-W195 PolarHBondContact O-N 3.27Å
192L68.4Low67.1Low95 Ų9595 Ų9550%0.49751%0.514SS..Hα-helixtrans-66.7-42.4179-152.5116.9000112.1A188 R189 W195 V196A188-L192 WeakPolarHBondContact O-CB 3.49Å; A188-L192 PolarHBondContact O-N 3.39Å; R189-L192 PolarHBondContact O-N 3.02Å; L192-W195 PolarHBondContact O-N 2.95Å; L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.48Å; L192-V196 PolarHBondContact O-N 3.04Å
193C66.8Low66.3Low79 Ų7996.9 Ų96.953%0.53451%0.511SS..Hα-helixtrans-63.8-39.4174-76.10000112.3R189 R197R189-C193 WeakPolarHBondContact O-CB 3.22Å; R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 PolarHBondContact O-SG 3.5Å; R189-C193 VanDerWaalsContact O-SG 3.37Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.44Å; C193-R197 PolarHBondContact O-N 3.28Å
194N73.2Confident65.3Low85 Ų8599 Ų9946%0.45552%0.515SS..Hα-helixtrans-67.2-40.8175.6-73.9-9.7000111.4K190 A191 R197 M198K190-N194 WeakPolarHBondContact O-CB 3.42Å; K190-N194 PolarHBondContact O-N 3.29Å; K190-N194 PolarHBondContact O-ND2 3.45Å; A191-N194 PolarHBondContact O-N 3.47Å; N194-R197 PolarHBondContact O-N 3.5Å; N194-M198 WeakPolarHBondContact O-CB 3.37Å; N194-M198 VanDerWaalsContact O-CG 3.28Å; N194-M198 WeakPolarHBondContact O-CG 3.49Å; N194-M198 PolarHBondContact O-N 2.98Å
195W71.5Confident64.5Low180 Ų180105.4 Ų105.468%0.68254%0.544SS*.Hα-helixtrans-64.6-43.7175.8-176.772.4000112.2A191 L192 R197 M198 A199A191-W195 WeakPolarHBondContact O-CB 3.42Å; A191-W195 PolarHBondContact O-N 3.27Å; L192-W195 PolarHBondContact O-N 2.95Å; W195-R197 VanDerWaalsContact C-N 3.32Å; W195-R197 PolarHBondContact O-N 3.25Å; W195-M198 PolarHBondContact O-N 3.16Å; W195-A199 WeakPolarHBondContact O-CB 3.48Å; W195-A199 PolarHBondContact O-N 2.84Å
196V71.8Confident63.6Low78 Ų78107.3 Ų107.347%0.47356%0.56SS.*Hα-helixtrans-63-37.5174.3171.60000111.5L192 A200L192-V196 VanDerWaalsContact O-CG2 3.3Å; L192-V196 WeakPolarHBondContact O-CG2 3.48Å; L192-V196 PolarHBondContact O-N 3.04Å; V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.25Å
197R68.9Low63.1Low194 Ų194105.2 Ų105.273%0.73255%0.547SS*.Hα-helixtrans-68.2-40.2174.3-75.9179.6101.8166.16112.5C193 N194 W195 A201C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.44Å; C193-R197 PolarHBondContact O-N 3.28Å; N194-R197 PolarHBondContact O-N 3.5Å; W195-R197 VanDerWaalsContact C-N 3.32Å; W195-R197 PolarHBondContact O-N 3.25Å; R197-A201 WeakPolarHBondContact O-CB 3.47Å; R197-A201 PolarHBondContact O-N 3.42Å
198M66.3Low62.5Low127 Ų127104.4 Ų104.463%0.62655%0.554SS**Hα-helixtrans-64.5-49.7175.4-77.6-73.1-6300111N194 W195 A200 A201 E202N194-M198 WeakPolarHBondContact O-CB 3.37Å; N194-M198 VanDerWaalsContact O-CG 3.28Å; N194-M198 WeakPolarHBondContact O-CG 3.49Å; N194-M198 PolarHBondContact O-N 2.98Å; W195-M198 PolarHBondContact O-N 3.16Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 2.93Å; M198-A201 CarbonylContact O-C 3.54Å; M198-A201 WeakPolarHBondContact O-CA 3.28Å; M198-A201 WeakPolarHBondContact O-CB 3.38Å; M198-A201 PolarHBondContact O-N 2.91Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.87Å
199A62.9Low61.8Low38 Ų38109.2 Ų109.231%0.31457%0.573SS.*Hα-helixtrans-60.5-39.7177.100000111.6W195 A201 E202 H203W195-A199 WeakPolarHBondContact O-CB 3.48Å; W195-A199 PolarHBondContact O-N 2.84Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A199-E202 PolarHBondContact O-N 2.83Å; A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-N 3.24Å
200A60Low60.8Low46 Ų46109.8 Ų109.838%0.3859%0.589SS.*Hα-helixtrans-69-30.1173.900000113.1V196 M198 R204V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.4Å; V196-A200 PolarHBondContact O-N 3.25Å; M198-A200 VanDerWaalsContact C-N 3.29Å; M198-A200 PolarHBondContact O-N 2.93Å; A200-R204 WeakPolarHBondContact O-CD 3.3Å; A200-R204 WeakPolarHBondContact O-CG 3.39Å; A200-R204 PolarHBondContact O-N 3.46Å
201A61Low59.6Low35 Ų35111.6 Ų111.629%0.28959%0.593SS.*Hα-helixtrans-74.8-38.4173.100000111.9R197 M198 A199 R204 H205R197-A201 WeakPolarHBondContact O-CB 3.47Å; R197-A201 PolarHBondContact O-N 3.42Å; M198-A201 CarbonylContact O-C 3.54Å; M198-A201 WeakPolarHBondContact O-CA 3.28Å; M198-A201 WeakPolarHBondContact O-CB 3.38Å; M198-A201 PolarHBondContact O-N 2.91Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-R204 VanDerWaalsContact O-N 3.12Å; A201-H205 PolarHBondContact O-CD2 2.96Å; A201-H205 PolarHBondContact O-N 2.96Å
202E56.2Low58.6Low141 Ų141119.9 Ų119.966%0.65961%0.611SS**Hα-helixtrans-67.7-41.9177.5-164.9167.9-168.800111.2M198 A199 R204 H205 S206M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.87Å; A199-E202 PolarHBondContact O-N 2.83Å; E202-R204 PolarHBondContact O-N 2.89Å; E202-H205 PolarHBondContact O-N 3.36Å; E202-S206 PolarHBondContact O-N 2.91Å
203H52.2Low57.6Low153 Ų153118.5 Ų118.571%0.70861%0.608SS**Hα-helixtrans-63.5-23171.2-132.3-68.2000113.3A199 S207A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-N 3.24Å; H203-S207 PolarHBondContact O-OG 3.28Å
204R48.8Very low56.7Low181 Ų181125.3 Ų125.368%0.68362%0.624SS**Hα-helixtrans-80.3-29.5176.8-78.2167.6-178178.6-0.3113.5A200 A201 E202 S207A200-R204 WeakPolarHBondContact O-CD 3.3Å; A200-R204 WeakPolarHBondContact O-CG 3.39Å; A200-R204 PolarHBondContact O-N 3.46Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.35Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-R204 VanDerWaalsContact O-N 3.12Å; E202-R204 PolarHBondContact O-N 2.89Å; R204-S207 PolarHBondContact O-OG 3.45Å
205H50.9Low55.5Low169 Ų169125 Ų12578%0.78262%0.622SS**Hα-helixtrans-77.2-26.8177.3-71.2-64.2000112.5A201 E202A201-H205 PolarHBondContact O-CD2 2.96Å; A201-H205 PolarHBondContact O-N 2.96Å; E202-H205 PolarHBondContact O-N 3.36Å
206S53Low54.8Low113 Ų113120.8 Ų120.879%0.7962%0.616SS**SBendtrans-84.8-13.9178.1-166.80000114.5E202E202-S206 PolarHBondContact O-N 2.91Å
207S56.1Low53.9Low59 Ų59120.9 Ų120.941%0.41363%0.625SS.*SBendtrans-97.3-8-171.962.40000115.5H203 R204 L209H203-S207 PolarHBondContact O-OG 3.28Å; R204-S207 PolarHBondContact O-OG 3.45Å; S207-L209 PolarHBondContact O-N 3.37Å
208G53.8Low53.1Low75 Ų75117.9 Ų117.977%0.77362%0.619SS**  trans57.812.6173.200000116.8
209L50.7Low52.5Low139 Ų139114.3 Ų114.373%0.72861%0.605SS**  trans-89.3134-174-81.6164.9000111.3S207 Y211S207-L209 PolarHBondContact O-N 3.37Å; L209-Y211 PolarHBondContact O-N 3.46Å
210P45.8Very low52.1Low105 Ų105116.4 Ų116.468%0.68261%0.611SS**  trans-64.7136.3178.825.1-31.1000111W212P210-W212 PolarHBondContact O-N 2.96Å; P210-W212 VanDerWaalsContact O-N 3.12Å
211Y44.9Very low51.9Low191 Ų191121.4 Ų121.475%0.74962%0.624SS**  trans-57.4110.2179.7173.3-105.6000111.4L209 P213L209-Y211 PolarHBondContact O-N 3.46Å; Y211-P213 HydrophobicContact CD1-CG 4.12Å; Y211-P213 HydrophobicContact CE1-CB 3.65Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.49Å; Y211-P213 WeakPolarHBondContact OH-CB 3.46Å
212W46.5Very low51.8Low234 Ų234124.7 Ų124.789%0.88664%0.636SS**  trans-94.2113.4155.3-86.786.7000107.7P210 Y214P210-W212 PolarHBondContact O-N 2.96Å; P210-W212 VanDerWaalsContact O-N 3.12Å; W212-Y214 PolarHBondContact O-N 2.89Å; W212-Y214 VanDerWaalsContact O-N 3.08Å
213P48.2Very low51.9Low66 Ų66126.7 Ų126.743%0.42964%0.638SS.*  trans-58.6121174.32.62000107.7Y211 L215Y211-P213 HydrophobicContact CD1-CG 4.12Å; Y211-P213 HydrophobicContact CE1-CB 3.65Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.49Å; Y211-P213 WeakPolarHBondContact OH-CB 3.46Å; P213-L215 VanDerWaalsContact C-N 3.33Å; P213-L215 PolarHBondContact O-N 2.88Å
214Y47.8Very low52Low223 Ų223126.4 Ų126.488%0.87564%0.639SS**  trans-55.5106.4161-134-95.1000105.4W212 T216W212-Y214 PolarHBondContact O-N 2.89Å; W212-Y214 VanDerWaalsContact O-N 3.08Å; Y214-T216 PolarHBondContact O-N 3.1Å
215L48.7Very low52.3Low78 Ų78120.9 Ų120.941%0.40864%0.638SS.*  trans-53.4109.3172.9-83.9158000106.4P213 T219 L220P213-L215 VanDerWaalsContact C-N 3.33Å; P213-L215 PolarHBondContact O-N 2.88Å; L215-T219 HydrophobicContact CD2-CG2 3.54Å; L215-L220 HydrophobicContact CB-CD1 4.38Å
216T56.3Low52.5Low91 Ų91120.1 Ų120.156%0.55863%0.634SS**  trans-54.4144.6176.8-29.50000107.5Y214 E218 T219 L220Y214-T216 PolarHBondContact O-N 3.1Å; T216-E218 PolarHBondContact O-N 3.18Å; T216-T219 WeakPolarHBondContact O-CA 3.27Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.98Å; T216-L220 PolarHBondContact O-N 3.35Å
217A52.1Low52.8Low81 Ų81123.2 Ų123.267%0.66964%0.636SS**Hα-helixtrans-52.7-29.1178.600000112.1L220 K221A217-L220 PolarHBondContact O-N 2.93Å; A217-K221 VanDerWaalsContact O-CB 3.27Å; A217-K221 WeakPolarHBondContact O-CB 3.45Å; A217-K221 PolarHBondContact O-N 3.38Å
218E53.1Low53Low130 Ų130125.6 Ų125.661%0.60765%0.65SS**Hα-helixtrans-54.8-48.1168.1-13286.5-14400113.3T216 K221 N222T216-E218 PolarHBondContact O-N 3.18Å; E218-K221 PolarHBondContact O-N 2.77Å; E218-N222 VanDerWaalsContact O-CG 3.24Å; E218-N222 PolarHBondContact O-N 2.99Å; E218-N222 PolarHBondContact O-ND2 3.23Å
219T53Low53.4Low53 Ų53127.4 Ų127.433%0.32565%0.648SS.*Hα-helixtrans-72-34.1-177.5-30.30000111.7L215 T216 R223L215-T219 HydrophobicContact CD2-CG2 3.54Å; T216-T219 WeakPolarHBondContact O-CA 3.27Å; T216-T219 WeakPolarHBondContact O-CB 3.47Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.98Å; T219-R223 PolarHBondContact O-N 3.42Å
220L56.2Low53.9Low82 Ų82126.1 Ų126.143%0.42965%0.648SS.*Hα-helixtrans-70.2-37.4173.5-118.4153.1000111.6L215 T216 A217 R223 M224L215-L220 HydrophobicContact CB-CD1 4.38Å; T216-L220 PolarHBondContact O-N 3.35Å; A217-L220 PolarHBondContact O-N 2.93Å; L220-R223 PolarHBondContact O-N 3.43Å; L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 2.93Å
221K55.9Low54Low151 Ų151126.9 Ų126.966%0.65765%0.653SS**Hα-helixtrans-67.7-40.6175.1-169.7-178.3174.7-169.90112.2A217 E218 R223 M224 G225A217-K221 VanDerWaalsContact O-CB 3.27Å; A217-K221 WeakPolarHBondContact O-CB 3.45Å; A217-K221 PolarHBondContact O-N 3.38Å; E218-K221 PolarHBondContact O-N 2.77Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.42Å; K221-M224 PolarHBondContact O-N 3.1Å; K221-G225 PolarHBondContact O-N 3.34Å; K221-G225 VanDerWaalsContact O-N 3.1Å
222N58.3Low54.5Low103 Ų103124.1 Ų124.155%0.55166%0.657SS**Hα-helixtrans-68-28.5176.4-68-15.1000112.8E218 H226E218-N222 VanDerWaalsContact O-CG 3.24Å; E218-N222 PolarHBondContact O-N 2.99Å; E218-N222 PolarHBondContact O-ND2 3.23Å; N222-H226 PolarHBondContact O-ND1 3.05Å
223R57Low55Low184 Ų184121.3 Ų121.369%0.69465%0.653SS**Hα-helixtrans-78.6-32.6172.9-76.7-173177.9-168.9-0113.9T219 L220 K221 G225T219-R223 PolarHBondContact O-N 3.42Å; L220-R223 PolarHBondContact O-N 3.43Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.42Å; R223-G225 VanDerWaalsContact C-N 3.34Å
224M55.9Low54.9Low147 Ų147129.9 Ų129.972%0.72469%0.687SS**Hα-helixtrans-76.4-19.1174.5-87.2-176.4-110.100113.7L220 K221L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 2.93Å; K221-M224 PolarHBondContact O-N 3.1Å
225G54.1Low55.3Low64 Ų64125.2 Ų125.266%0.6668%0.678SS**THydrogen-bonded Turntrans-83.9-8.3179.900000115.5K221 R223K221-G225 PolarHBondContact O-N 3.34Å; K221-G225 VanDerWaalsContact O-N 3.1Å; R223-G225 VanDerWaalsContact C-N 3.34Å
226H55.5Low55.6Low154 Ų154127.7 Ų127.771%0.71369%0.692SS**  trans-94.2108.2175.7-75.572.2000109.2N222N222-H226 PolarHBondContact O-ND1 3.05Å
227Q58.3Low55.6Low178 Ų178129.7 Ų129.783%0.83270%0.7SS**PPolyproline II helixtrans-63.5140.4161.2-78.8-161.6-3.700108.8
228P60.4Low55.8Low108 Ų108132.6 Ų132.670%0.70170%0.701SS**PPolyproline II helixtrans-59.1142.2168.725.6-31.2000108.8
229P62.1Low56Low114 Ų114132.8 Ų132.874%0.7471%0.707SS**PPolyproline II helixtrans-56.8143175.224.8-32.4000109.2
230P62Low56.2Low112 Ų112138.1 Ų138.173%0.72773%0.733SS**PPolyproline II helixtrans-59.2145.8-179.824.9-32.6000109.9T232P230-T232 PolarHBondContact O-N 3.17Å
231P48.7Very low56.2Low121 Ų121142.1 Ų142.179%0.78676%0.755SS**PPolyproline II helixtrans-61122.9-179.224.9-32.3000109.4Q233P231-Q233 PolarHBondContact O-N 3.15Å; P231-Q233 VanDerWaalsContact O-N 3.15Å
232T55Low56.2Low133 Ų133141.4 Ų141.482%0.81676%0.762SS**PPolyproline II helixtrans-58.2116.9169.9-38.80000107.9P230P230-T232 PolarHBondContact O-N 3.17Å
233Q56.3Low56Low174 Ų174144.6 Ų144.681%0.81378%0.78SS**PPolyproline II helixtrans-80.7116164.6-80.3-117.46.100107.7P231P231-Q233 PolarHBondContact O-N 3.15Å; P231-Q233 VanDerWaalsContact O-N 3.15Å
234Q47.3Very low55.9Low246 Ų246141 Ų141100%1.1579%0.787SS**  trans76.50168.4-58.8-176.1-9.200117.1

Retrieved 234 of 234 residues in 97.9 ms (Link to these results)