G4VHN9_SCHMA Loading...

Coiled-coil domain-containing protein 86

Involved in nucleolar integrity and required for processing of the pre-rRNA for the 60S ribosome subunit. Required for proper chromosome segregation during mitosis and error-free mitotic progression.

AlphaFold DB , UniProt , Accession G4VHN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 111 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
1M41.1Very low67.7Low239 Ų239148.5 Ų148.5100%1.17780%0.802SS**  077.90-73.2-80.3-164.600108.6C3M1-C3 PolarHBondContact O-N 3.24Å
2N54.5Low68.9Low146 Ų146141.6 Ų141.678%0.78179%0.792SS**  trans-70.6109.7174.1-68.3-15000106.6T4N2-T4 HydrophobicContact CB-CG2 3.74Å; N2-T4 PolarHBondContact O-N 2.86Å
3C51.8Low70Confident121 Ų121147.2 Ų147.282%0.81879%0.793SS**  trans-74.882.9174.6-1700000107.6M1 V5M1-C3 PolarHBondContact O-N 3.24Å; C3-V5 VanDerWaalsContact C-N 3.26Å; C3-V5 PolarHBondContact O-N 3.08Å
4T59.5Low70.8Confident123 Ų123142.9 Ų142.976%0.75578%0.775SS**THydrogen-bonded Turntrans-81.715.5-16742.60000114.7N2N2-T4 HydrophobicContact CB-CG2 3.74Å; N2-T4 PolarHBondContact O-N 2.86Å
5V65.1Low71.5Confident132 Ų132147.9 Ų147.980%0.878%0.778SS**THydrogen-bonded Turntrans-82.9-26.1-173.8-171.20000112.9C3C3-V5 VanDerWaalsContact C-N 3.26Å; C3-V5 PolarHBondContact O-N 3.08Å
6R70.5Confident72.2Confident212 Ų212147 Ų14780%0.877%0.765SS**SBendtrans-93.8118.3-179.3-70.4-170.5-174.1-157.60.4111.2
7G77.7Confident72.8Confident71 Ų71146.7 Ų146.773%0.73277%0.772SS**PPolyproline II helixtrans-60.3156.716900000112.1
8K77.9Confident73.2Confident207 Ų207143 Ų14390%0.976%0.756SS**PPolyproline II helixtrans-64.8133.6176-65.5-178.9179.8179.30109.4
9P81.9Confident73.5Confident56 Ų56142.6 Ų142.636%0.36474%0.743SS.*PPolyproline II helixtrans-63.1140.5174.527.6-34.4000110.2S11 G12 T14P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.26Å; P9-G12 PolarHBondContact O-N 3.43Å; P9-T14 HydrophobicContact CG-CG2 3.92Å
10K79.8Confident73.9Confident222 Ų222142.4 Ų142.497%0.96575%0.748SS**THydrogen-bonded Turntrans-55.5-38.6-176.9-173.5177.6-179.4-179.40113.2G12K10-G12 VanDerWaalsContact C-N 3.32Å
11S85.3Confident74.3Confident104 Ų104138.1 Ų138.173%0.72773%0.733SS**THydrogen-bonded Turntrans-84.7-0.5-179.959.60000114.3P9 R13P9-S11 VanDerWaalsContact C-N 3.27Å; P9-S11 PolarHBondContact O-N 3.26Å; S11-R13 PolarHBondContact O-N 3.18Å
12G82Confident76.3Confident66 Ų66134.3 Ų134.368%0.6871%0.71SS**SBendtrans72.9-12.7-17500000115.4P9 K10P9-G12 PolarHBondContact O-N 3.43Å; K10-G12 VanDerWaalsContact C-N 3.32Å
13R82.5Confident77.6Confident215 Ų215134 Ų13481%0.81170%0.704SS**  trans-112.6124.6-176.8-167.3162.8176.881.4-1.5112.7S11S11-R13 PolarHBondContact O-N 3.18Å
14T81.1Confident78.9Confident87 Ų87133.1 Ų133.153%0.53470%0.699SS.*  trans-90.4131.6172.356.40000110.8P9P9-T14 HydrophobicContact CG-CG2 3.92Å
15W82.1Confident80.1Confident218 Ų218130.5 Ų130.583%0.82669%0.689SS**SBendtrans-78.6-14-179.471.6-83.3000114.7
16K82.4Confident80.9Confident133 Ų133129.1 Ų129.158%0.57868%0.677SS**SBendtrans-133.7143.1179.4-91.1175.9174.4167.60111V18K16-V18 PolarHBondContact O-N 3.15Å
17T81.5Confident81.3Confident142 Ų142128.7 Ų128.787%0.87168%0.681SS**  trans-63.8129.8171.6-47.40000109.6R19T17-R19 PolarHBondContact O-N 3.49Å
18V80.6Confident81.4Confident80 Ų80134.2 Ų134.249%0.48568%0.684SS.*  trans-67.1122.6176.7-179.90000108.2K16 T20K16-V18 PolarHBondContact O-N 3.15Å; V18-T20 PolarHBondContact O-N 3.26Å
19R78.8Confident81.4Confident136 Ų136131.2 Ų131.251%0.51368%0.678SS.*  trans-71.2103.5170.5-153.9-175.972.9-171.9-9.1108.7T17 A21 H23T17-R19 PolarHBondContact O-N 3.49Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact NE-O 3.39Å; R19-A21 PolarHBondContact NH2-O 3.37Å; R19-H23 VanDerWaalsContact CZ-CE1 3.44Å; R19-H23 PolarHBondContact NH1-CE1 3.02Å; R19-H23 PolarHBondContact NH1-ND1 3.27Å; R19-H23 VanDerWaalsContact NH1-ND1 3.13Å; R19-H23 PolarHBondContact NH2-CD2 3.08Å; R19-H23 PolarHBondContact NH2-CE1 3.2Å; R19-H23 PolarHBondContact NH2-ND1 3.25Å; R19-H23 PolarHBondContact NH2-NE2 2.87Å
20T81.3Confident81Confident137 Ų137137.5 Ų137.584%0.8470%0.7SS**  trans-71.8-30-179.250.90000111.9V18V18-T20 PolarHBondContact O-N 3.26Å
21A82.1Confident81Confident53 Ų53129 Ų12944%0.43868%0.675SS.*SBendtrans-77.7131.8176.800000112.2R19R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact NE-O 3.39Å; R19-A21 PolarHBondContact NH2-O 3.37Å
22K83.5Confident80.7Confident160 Ų160132.1 Ų132.170%0.69668%0.682SS**  trans-65.8145.5171.6-62.7-178.7178.1178.40109.8S24 A25K22-S24 WeakPolarHBondContact CB-OG 3.4Å; K22-S24 PolarHBondContact O-N 3.4Å; K22-A25 VanDerWaalsContact O-CB 3.26Å; K22-A25 WeakPolarHBondContact O-CB 3.41Å; K22-A25 PolarHBondContact O-N 3.49Å
23H81.9Confident80.7Confident139 Ų139140 Ų14064%0.64469%0.691SS**G310 helixtrans-56.3-32.9172.7-78-76.5000111.8R19 A25 I26R19-H23 VanDerWaalsContact CZ-CE1 3.44Å; R19-H23 PolarHBondContact NH1-CE1 3.02Å; R19-H23 PolarHBondContact NH1-ND1 3.27Å; R19-H23 VanDerWaalsContact NH1-ND1 3.13Å; R19-H23 PolarHBondContact NH2-CD2 3.08Å; R19-H23 PolarHBondContact NH2-CE1 3.2Å; R19-H23 PolarHBondContact NH2-ND1 3.25Å; R19-H23 PolarHBondContact NH2-NE2 2.87Å; H23-A25 PolarHBondContact O-N 2.86Å; H23-I26 WeakPolarHBondContact O-CB 3.46Å; H23-I26 WeakPolarHBondContact O-CG1 3.21Å; H23-I26 PolarHBondContact O-N 3.39Å; H23-I26 VanDerWaalsContact O-N 3.08Å
24S80.2Confident80.8Confident103 Ų103133.7 Ų133.772%0.7268%0.676SS**G310 helixtrans-65.4-16.3176.754.40000114.1K22K22-S24 WeakPolarHBondContact CB-OG 3.4Å; K22-S24 PolarHBondContact O-N 3.4Å
25A82.8Confident81.3Confident67 Ų67132.2 Ų132.255%0.55467%0.67SS**G310 helixtrans-75.3-15.7173.400000112.5K22 H23 K27K22-A25 VanDerWaalsContact O-CB 3.26Å; K22-A25 WeakPolarHBondContact O-CB 3.41Å; K22-A25 PolarHBondContact O-N 3.49Å; H23-A25 PolarHBondContact O-N 2.86Å; A25-K27 PolarHBondContact O-N 3.39Å
26I83.3Confident81.8Confident104 Ų104128 Ų12853%0.53366%0.658SS.*SBendtrans-72.398.5174.5-56.5171.2000106.9H23 K28H23-I26 WeakPolarHBondContact O-CB 3.46Å; H23-I26 WeakPolarHBondContact O-CG1 3.21Å; H23-I26 PolarHBondContact O-N 3.39Å; H23-I26 VanDerWaalsContact O-N 3.08Å; I26-K28 PolarHBondContact O-N 3.15Å
27K78.5Confident82.4Confident203 Ų203129.3 Ų129.388%0.88367%0.666SS**  trans-60.2104.1173.1-69.2-175.4-179.7-179.70108.1A25 D29A25-K27 PolarHBondContact O-N 3.39Å; K27-D29 PolarHBondContact O-N 3.13Å
28K79Confident83Confident186 Ų186125.7 Ų125.781%0.80964%0.643SS**  trans-71118.5161.3-61.6-171.5-178.8-174.20105.6I26 K30I26-K28 PolarHBondContact O-N 3.15Å; K28-K30 PolarHBondContact O-N 3.49Å; K28-K30 VanDerWaalsContact O-N 3.11Å
29D77.9Confident83.7Confident145 Ų145127.6 Ų127.678%0.77564%0.642SS**  trans-54.7123.9170.3-170.8-0.7000107.6K27 G31K27-D29 PolarHBondContact O-N 3.13Å; D29-G31 PolarHBondContact O-N 3.09Å
30K74.7Confident84.6Confident188 Ų188127.9 Ų127.982%0.81764%0.643SS**  trans-7588.5168.9-68.1-178.2-176.9178.50103.2K28K28-K30 PolarHBondContact O-N 3.49Å; K28-K30 VanDerWaalsContact O-N 3.11Å
31G80.3Confident85.4Confident42 Ų42127.6 Ų127.643%0.43363%0.63SS.*  trans-43.5147.5-17800000111D29 R33D29-G31 PolarHBondContact O-N 3.09Å; G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 WeakPolarHBondContact O-CG 3.48Å; G31-R33 PolarHBondContact O-N 3.28Å
32I79Confident86.1Confident170 Ų170128.8 Ų128.887%0.87263%0.628SS**  trans-50.989.9-165.2-56162.8000111
33R80.1Confident86.7Confident231 Ų231125.1 Ų125.187%0.87261%0.613SS**  trans-93.3105.6177.4-79.4177-172.5-1611.2106.4G31G31-R33 VanDerWaalsContact C-N 3.31Å; G31-R33 WeakPolarHBondContact O-CG 3.48Å; G31-R33 PolarHBondContact O-N 3.28Å
34T85.8Confident87.5Confident83 Ų83121.8 Ų121.851%0.50961%0.606SS.*  trans-61.5139.1166.4490000109
35S91.1Very high88.3Confident57 Ų57121 Ų12140%0.39959%0.591SS.*  trans-61.2151.7175.583.50000109.8Q37 T38 R39S35-Q37 PolarHBondContact O-N 2.73Å; S35-T38 PolarHBondContact O-N 3.49Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 WeakPolarHBondContact OG-CB 3.43Å; S35-T38 PolarHBondContact OG-N 3.18Å; S35-T38 PolarHBondContact OG-OG1 3.48Å; S35-R39 PolarHBondContact O-N 3.43Å
36F92.7Very high89Confident130 Ų130122 Ų12257%0.5759%0.586SS**Hα-helixtrans-54.6-42.8175.4176.7-99.5000111.4T38 R39 R40F36-T38 PolarHBondContact O-N 2.8Å; F36-R39 PolarHBondContact O-N 3.43Å; F36-R40 HydrophobicContact CD1-CG 4Å; F36-R40 HydrophobicContact CD2-CG 4.47Å; F36-R40 HydrophobicContact CE1-CG 3.59Å; F36-R40 HydrophobicContact CE2-CG 4.11Å; F36-R40 HydrophobicContact CG-CG 4.43Å; F36-R40 HydrophobicContact CZ-CG 3.66Å; F36-R40 VanDerWaalsContact O-CG 3.32Å; F36-R40 WeakPolarHBondContact O-CG 3.34Å; F36-R40 PolarHBondContact O-N 2.65Å
37Q94.5Very high89.8Confident160 Ų160123.6 Ų123.675%0.74859%0.589SS**Hα-helixtrans-60.7-44177.5-69.3-178.9-29.800112.4S35 R39 R40 K41S35-Q37 PolarHBondContact O-N 2.73Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; Q37-R39 PolarHBondContact O-N 3.16Å; Q37-R40 PolarHBondContact O-N 3.24Å; Q37-K41 PolarHBondContact O-N 2.87Å
38T95.1Very high90.7Very high65 Ų65120.4 Ų120.440%0.39958%0.575SS.*Hα-helixtrans-60.4-45.2176.2-51.70000111.2S35 F36 K41 I42S35-T38 PolarHBondContact O-N 3.49Å; S35-T38 VanDerWaalsContact O-N 3.15Å; S35-T38 WeakPolarHBondContact OG-CB 3.43Å; S35-T38 PolarHBondContact OG-N 3.18Å; S35-T38 PolarHBondContact OG-OG1 3.48Å; F36-T38 PolarHBondContact O-N 2.8Å; T38-K41 PolarHBondContact O-N 3.08Å; T38-I42 HydrophobicContact CG2-CD1 4.04Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.48Å
39R95.5Very high91.6Very high120 Ų120116.7 Ų116.745%0.45356%0.563SS.*Hα-helixtrans-62.2-43.9177.1173167.939.2136.4-3.2112S35 F36 Q37 K41 I42 E43S35-R39 PolarHBondContact O-N 3.43Å; F36-R39 PolarHBondContact O-N 3.43Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; Q37-R39 PolarHBondContact O-N 3.16Å; R39-K41 VanDerWaalsContact C-N 3.32Å; R39-K41 PolarHBondContact O-N 3.36Å; R39-I42 PolarHBondContact O-N 3.44Å; R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.35Å; R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.17Å; R39-E43 PolarHBondContact O-N 3.27Å
40R97.4Very high92.5Very high143 Ų143117.5 Ų117.554%0.5456%0.555SS.*Hα-helixtrans-61.3-39.5176.1-67.8-62.8-70.2175.9-12.6112.3F36 Q37 E43 S44F36-R40 HydrophobicContact CD1-CG 4Å; F36-R40 HydrophobicContact CD2-CG 4.47Å; F36-R40 HydrophobicContact CE1-CG 3.59Å; F36-R40 HydrophobicContact CE2-CG 4.11Å; F36-R40 HydrophobicContact CG-CG 4.43Å; F36-R40 HydrophobicContact CZ-CG 3.66Å; F36-R40 VanDerWaalsContact O-CG 3.32Å; F36-R40 WeakPolarHBondContact O-CG 3.34Å; F36-R40 PolarHBondContact O-N 2.65Å; Q37-R40 PolarHBondContact O-N 3.24Å; R40-E43 IonicContact CZ-OE2 3.89Å; R40-E43 IonicContact NH1-OE2 3.01Å; R40-E43 PolarHBondContact NH1-OE2 2.92Å; R40-E43 PolarHBondContact O-N 2.89Å; R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 3.48Å
41K97.2Very high93.7Very high131 Ų131112.6 Ų112.657%0.5754%0.538SS*.Hα-helixtrans-61.8-49.8174.6-175.7177.3175.5179.90111.2Q37 T38 R39 E43 S44 E45Q37-K41 PolarHBondContact O-N 2.87Å; T38-K41 PolarHBondContact O-N 3.08Å; R39-K41 VanDerWaalsContact C-N 3.32Å; R39-K41 PolarHBondContact O-N 3.36Å; K41-E43 PolarHBondContact O-N 3.27Å; K41-S44 WeakPolarHBondContact O-CB 3.46Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 VanDerWaalsContact O-N 3.13Å; K41-S44 PolarHBondContact O-OG 3.19Å; K41-E45 WeakPolarHBondContact CE-OE1 3.46Å; K41-E45 WeakPolarHBondContact CG-OE1 3.44Å; K41-E45 WeakPolarHBondContact O-CG 3.27Å; K41-E45 PolarHBondContact O-N 3.34Å
42I97.1Very high94.5Very high77 Ų77114.1 Ų114.140%0.39553%0.533SS..Hα-helixtrans-59.5-45.2177.4-67.3165.6000111.3T38 R39 S44 E45 I46T38-I42 HydrophobicContact CG2-CD1 4.04Å; T38-I42 WeakPolarHBondContact O-CG1 3.33Å; T38-I42 PolarHBondContact O-N 3.48Å; R39-I42 PolarHBondContact O-N 3.44Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.21Å; I42-E45 PolarHBondContact O-N 2.98Å; I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.06Å
43E97.3Very high95.4Very high83 Ų83109.2 Ų109.239%0.38852%0.515SS..Hα-helixtrans-58-42.4175.8-75.8171.5-171.900111.9R39 R40 K41 K47R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.35Å; R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.17Å; R39-E43 PolarHBondContact O-N 3.27Å; R40-E43 IonicContact CZ-OE2 3.89Å; R40-E43 IonicContact NH1-OE2 3.01Å; R40-E43 PolarHBondContact NH1-OE2 2.92Å; R40-E43 PolarHBondContact O-N 2.89Å; K41-E43 PolarHBondContact O-N 3.27Å; E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.4Å
44S97.7Very high96.3Very high69 Ų69101.9 Ų101.948%0.48349%0.492SS..Hα-helixtrans-65.8-39.7178780000112.5R40 K41 I42 K47 K48R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 3.48Å; K41-S44 WeakPolarHBondContact O-CB 3.46Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 VanDerWaalsContact O-N 3.13Å; K41-S44 PolarHBondContact O-OG 3.19Å; I42-S44 VanDerWaalsContact C-N 3.3Å; I42-S44 PolarHBondContact O-N 3.21Å; S44-K47 PolarHBondContact O-N 2.86Å; S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 2.96Å
45E97.9Very high96.8Very high88 Ų88104.6 Ų104.641%0.41150%0.499SS..Hα-helixtrans-67.4-46.4177.8-71.8170.7-17700111K41 I42 K47 K48 I49K41-E45 WeakPolarHBondContact CE-OE1 3.46Å; K41-E45 WeakPolarHBondContact CG-OE1 3.44Å; K41-E45 WeakPolarHBondContact O-CG 3.27Å; K41-E45 PolarHBondContact O-N 3.34Å; I42-E45 PolarHBondContact O-N 2.98Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.48Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 2.91Å; E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.45Å
46I98Very high97.1Very high86 Ų86109.5 Ų109.544%0.44151%0.508SS..Hα-helixtrans-59.4-43.3175.4-68.4168.6000110.6I42 K48 I49 R50I42-I46 HydrophobicContact CG2-CD1 3.67Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 VanDerWaalsContact O-CG1 3.3Å; I42-I46 WeakPolarHBondContact O-CG1 3.34Å; I42-I46 PolarHBondContact O-N 3.06Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 3.42Å; I46-I49 PolarHBondContact O-N 3.27Å; I46-R50 VanDerWaalsContact O-CB 3.28Å; I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.24Å
47K98.2Very high97.4Very high139 Ų139110 Ų11060%0.60451%0.51SS*.Hα-helixtrans-62-43177.5-174.3177.9179.6-178.70111.3E43 S44 E45 R50 N51E43-K47 WeakPolarHBondContact O-CB 3.5Å; E43-K47 PolarHBondContact O-N 3.4Å; S44-K47 PolarHBondContact O-N 2.86Å; E45-K47 VanDerWaalsContact C-N 3.3Å; E45-K47 PolarHBondContact O-N 3.48Å; K47-R50 PolarHBondContact O-N 2.68Å; K47-N51 WeakPolarHBondContact O-CB 3.49Å; K47-N51 VanDerWaalsContact O-CG 3.25Å; K47-N51 PolarHBondContact O-N 2.91Å
48K98.1Very high97.6Very high136 Ų136108.4 Ų108.459%0.59150%0.501SS*.Hα-helixtrans-60.6-52.6176.7-177178.5174.9-177.90111.3S44 E45 I46 R50 N51 E52S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 2.96Å; E45-K48 WeakPolarHBondContact O-CB 3.36Å; E45-K48 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 3.42Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 2.89Å; K48-N51 PolarHBondContact O-N 3.22Å; K48-N51 VanDerWaalsContact O-N 3.17Å; K48-E52 WeakPolarHBondContact CE-OE1 3.43Å; K48-E52 WeakPolarHBondContact CG-OE1 3.4Å; K48-E52 WeakPolarHBondContact O-CG 3.28Å; K48-E52 PolarHBondContact O-N 3.38Å
49I97.9Very high97.7Very high107 Ų107107.4 Ų107.455%0.54950%0.499SS..Hα-helixtrans-58.8-42.9179.2-66.4165.9000111.1E45 I46 E52 S53E45-I49 WeakPolarHBondContact O-CG1 3.45Å; E45-I49 PolarHBondContact O-N 3.45Å; I46-I49 PolarHBondContact O-N 3.27Å; I49-E52 PolarHBondContact O-N 2.95Å; I49-S53 WeakPolarHBondContact O-CB 3.45Å; I49-S53 PolarHBondContact O-N 2.97Å
50R98Very high97.9Very high162 Ų162109.2 Ų109.261%0.61151%0.511SS*.Hα-helixtrans-62.1-45.3177.8179.8174.9-75.2154.2-3.3111.6I46 K47 K48 S53 I54I46-R50 VanDerWaalsContact O-CB 3.28Å; I46-R50 WeakPolarHBondContact O-CB 3.45Å; I46-R50 PolarHBondContact O-N 3.24Å; K47-R50 PolarHBondContact O-N 2.68Å; K48-R50 VanDerWaalsContact C-N 3.3Å; K48-R50 PolarHBondContact O-N 2.89Å; R50-S53 PolarHBondContact O-N 3.42Å; R50-I54 HydrophobicContact CG-CD1 3.96Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.4Å; R50-I54 PolarHBondContact O-N 3.12Å
51N98Very high97.9Very high85 Ų85105.7 Ų105.746%0.45550%0.502SS..Hα-helixtrans-63.5-46179.1-73.4-7.6000111.6K47 K48 S53 I54 E55K47-N51 WeakPolarHBondContact O-CB 3.49Å; K47-N51 VanDerWaalsContact O-CG 3.25Å; K47-N51 PolarHBondContact O-N 2.91Å; K48-N51 PolarHBondContact O-N 3.22Å; K48-N51 VanDerWaalsContact O-N 3.17Å; N51-S53 VanDerWaalsContact C-N 3.28Å; N51-S53 PolarHBondContact O-N 3.44Å; N51-I54 PolarHBondContact O-N 3.5Å; N51-I54 VanDerWaalsContact O-N 3.12Å; N51-E55 PolarHBondContact O-N 2.99Å
52E97.9Very high97.9Very high74 Ų74105.5 Ų105.535%0.34650%0.503SS..Hα-helixtrans-61-36.4175.7-69.9172.9-171.200112.2K48 I49 R56K48-E52 WeakPolarHBondContact CE-OE1 3.43Å; K48-E52 WeakPolarHBondContact CG-OE1 3.4Å; K48-E52 WeakPolarHBondContact O-CG 3.28Å; K48-E52 PolarHBondContact O-N 3.38Å; I49-E52 PolarHBondContact O-N 2.95Å; E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.39Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 PolarHBondContact O-NE 2.89Å; E52-R56 VanDerWaalsContact O-NE 3.1Å; E52-R56 IonicContact OE2-NH2 3.96Å
53S97.8Very high98Very high68 Ų68108 Ų10848%0.47652%0.517SS..Hα-helixtrans-67.2-39.9174.9-176.70000112.1I49 R50 N51 K57I49-S53 WeakPolarHBondContact O-CB 3.45Å; I49-S53 PolarHBondContact O-N 2.97Å; R50-S53 PolarHBondContact O-N 3.42Å; N51-S53 VanDerWaalsContact C-N 3.28Å; N51-S53 PolarHBondContact O-N 3.44Å; S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.96Å; S53-K57 VanDerWaalsContact O-N 3.11Å
54I98.3Very high98Very high77 Ų77111.6 Ų111.640%0.39553%0.531SS..Hα-helixtrans-66.9-45.2178.4-70.6166000110.2R50 N51 K57 K58R50-I54 HydrophobicContact CG-CD1 3.96Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.4Å; R50-I54 PolarHBondContact O-N 3.12Å; N51-I54 PolarHBondContact O-N 3.5Å; N51-I54 VanDerWaalsContact O-N 3.12Å; I54-K57 PolarHBondContact O-N 3.25Å; I54-K58 HydrophobicContact CG2-CD 4.11Å; I54-K58 HydrophobicContact CG2-CG 4.39Å; I54-K58 WeakPolarHBondContact O-CG 3.39Å; I54-K58 PolarHBondContact O-N 3.45Å
55E97.9Very high98Very high139 Ų139115.6 Ų115.665%0.6554%0.54SS*.Hα-helixtrans-60.6-47.7178.4-174.7177-178.400111.6N51 K57 K58 A59N51-E55 PolarHBondContact O-N 2.99Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.19Å; E55-K58 PolarHBondContact O-N 3.38Å; E55-A59 PolarHBondContact O-N 2.93Å
56R97.9Very high98Very high160 Ų160113.6 Ų113.660%0.60454%0.539SS*.Hα-helixtrans-58.1-41.1175.1-77-178-77.8-162.8-5.6112.6E52 K60E52-R56 WeakPolarHBondContact O-CB 3.37Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.39Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 VanDerWaalsContact O-N 3.09Å; E52-R56 PolarHBondContact O-NE 2.89Å; E52-R56 VanDerWaalsContact O-NE 3.1Å; E52-R56 IonicContact OE2-NH2 3.96Å; R56-K60 PolarHBondContact O-N 3.48Å; R56-K60 VanDerWaalsContact O-N 3.16Å
57K98.2Very high98Very high141 Ų141116 Ų11661%0.61355%0.546SS*.Hα-helixtrans-66.5-45.7177.3-173.4177.5177.8-178.50111.5S53 I54 E55 A59 K60 D61S53-K57 WeakPolarHBondContact O-CB 3.44Å; S53-K57 PolarHBondContact O-N 2.96Å; S53-K57 VanDerWaalsContact O-N 3.11Å; I54-K57 PolarHBondContact O-N 3.25Å; E55-K57 VanDerWaalsContact C-N 3.3Å; E55-K57 PolarHBondContact O-N 3.19Å; K57-A59 PolarHBondContact O-N 2.99Å; K57-K60 PolarHBondContact O-N 2.82Å; K57-D61 PolarHBondContact O-N 3.05Å
58K98.2Very high98Very high127 Ų127117.1 Ų117.155%0.55255%0.546SS*.Hα-helixtrans-58.1-48.7177.1-75.5179.4177-175.50111.7I54 E55 K60 D61 E62I54-K58 HydrophobicContact CG2-CD 4.11Å; I54-K58 HydrophobicContact CG2-CG 4.39Å; I54-K58 WeakPolarHBondContact O-CG 3.39Å; I54-K58 PolarHBondContact O-N 3.45Å; E55-K58 PolarHBondContact O-N 3.38Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.46Å; K58-D61 PolarHBondContact O-N 3.5Å; K58-D61 VanDerWaalsContact O-N 3.14Å; K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.47Å
59A98Very high98Very high44 Ų44115.1 Ų115.136%0.36454%0.542SS..Hα-helixtrans-58.4-42.7177.600000112.1E55 K57 E62 L63E55-A59 PolarHBondContact O-N 2.93Å; K57-A59 PolarHBondContact O-N 2.99Å; A59-E62 PolarHBondContact O-N 2.89Å; A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.36Å; A59-L63 PolarHBondContact O-N 3.26Å
60K98.2Very high97.9Very high158 Ų158116.9 Ų116.969%0.68755%0.545SS*.Hα-helixtrans-64.1-42.1176.2-173.7176.6-179.6176.90112.4R56 K57 K58 L63 K64R56-K60 PolarHBondContact O-N 3.48Å; R56-K60 VanDerWaalsContact O-N 3.16Å; K57-K60 PolarHBondContact O-N 2.82Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.46Å; K60-L63 PolarHBondContact O-N 2.93Å; K60-K64 WeakPolarHBondContact O-CB 3.5Å; K60-K64 PolarHBondContact O-N 3.34Å
61D98.2Very high97.9Very high69 Ų69114.4 Ų114.437%0.36954%0.541SS..Hα-helixtrans-67.8-39179.5-72.1-21.8000111.6K57 K58 K64 K65K57-D61 PolarHBondContact O-N 3.05Å; K58-D61 PolarHBondContact O-N 3.5Å; K58-D61 VanDerWaalsContact O-N 3.14Å; D61-K64 PolarHBondContact O-N 3.05Å; D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.07Å; D61-K65 PolarHBondContact O-N 3.49Å
62E98Very high97.9Very high126 Ų126114.5 Ų114.559%0.58954%0.538SS*.Hα-helixtrans-62.4-46.5174.2-74.6168.5-169.400111.9K58 A59 K64 K65 A66K58-E62 WeakPolarHBondContact O-CG 3.29Å; K58-E62 PolarHBondContact O-N 3.47Å; A59-E62 PolarHBondContact O-N 2.89Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 2.94Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 3.21Å
63L98Very high97.9Very high129 Ų129116.5 Ų116.568%0.67555%0.548SS*.Hα-helixtrans-59.8-41.6175.1-71.4172.6000112A59 K60 A66 K67A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.36Å; A59-L63 PolarHBondContact O-N 3.26Å; K60-L63 PolarHBondContact O-N 2.93Å; L63-A66 PolarHBondContact O-N 3.39Å; L63-K67 WeakPolarHBondContact O-CB 3.46Å; L63-K67 PolarHBondContact O-N 3.35Å
64K98.2Very high97.8Very high159 Ų159121.1 Ų121.169%0.69156%0.559SS**Hα-helixtrans-65.7-42.6177.7-171.7177.7-179.4-178.50111.8K60 D61 E62 K67 R68K60-K64 WeakPolarHBondContact O-CB 3.5Å; K60-K64 PolarHBondContact O-N 3.34Å; D61-K64 PolarHBondContact O-N 3.05Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 2.94Å; K64-K67 PolarHBondContact O-N 3.25Å; K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.17Å
65K97.7Very high97.8Very high153 Ų153126.2 Ų126.267%0.66557%0.573SS**Hα-helixtrans-62-46.3175.5-74.6174.1-178-179.40111.4D61 E62 K67 R68 L69D61-K65 WeakPolarHBondContact O-CB 3.5Å; D61-K65 VanDerWaalsContact O-CG 3.3Å; D61-K65 WeakPolarHBondContact O-CG 3.07Å; D61-K65 PolarHBondContact O-N 3.49Å; E62-K65 PolarHBondContact O-N 3.16Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.89Å; K65-R68 PolarHBondContact O-N 3.09Å; K65-L69 PolarHBondContact O-N 3.33Å
66A97.6Very high97.7Very high47 Ų47125.4 Ų125.439%0.38857%0.57SS.*Hα-helixtrans-61.8-41177.700000112.2E62 L63 L69 K70E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 3.21Å; L63-A66 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3.14Å; A66-K70 WeakPolarHBondContact O-CG 3.42Å; A66-K70 PolarHBondContact O-N 2.95Å; A66-K70 VanDerWaalsContact O-N 3.12Å
67K98.1Very high97.6Very high135 Ų135126 Ų12659%0.58757%0.572SS**Hα-helixtrans-62.6-45.9174.9-175.4178176.8-177.70111.7L63 K64 K65 L69 K70 E71L63-K67 WeakPolarHBondContact O-CB 3.46Å; L63-K67 PolarHBondContact O-N 3.35Å; K64-K67 PolarHBondContact O-N 3.25Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.89Å; K67-L69 PolarHBondContact O-N 3.1Å; K67-K70 PolarHBondContact O-N 3.34Å; K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.11Å
68R97.7Very high97.4Very high163 Ų163125.3 Ų125.362%0.61557%0.569SS**Hα-helixtrans-59.6-45.9178.1-180177.8173.2172.71.7111.8K64 K65 K70 E71 E72K64-R68 WeakPolarHBondContact O-CB 3.46Å; K64-R68 PolarHBondContact O-N 3.17Å; K65-R68 PolarHBondContact O-N 3.09Å; R68-K70 VanDerWaalsContact C-N 3.35Å; R68-K70 PolarHBondContact O-N 3.29Å; R68-E71 PolarHBondContact O-N 3.25Å; R68-E72 HydrophobicContact CG-CG 4.5Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 3.61Å; R68-E72 IonicContact NE-OE1 2.82Å; R68-E72 PolarHBondContact NE-OE1 2.99Å; R68-E72 IonicContact NH2-OE1 3.51Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.99Å
69L97.4Very high97.3Very high95 Ų95122.7 Ų122.750%0.49756%0.561SS.*Hα-helixtrans-60-45.1177.9-175.864.1000111.5K65 A66 K67 E71 E72 E73K65-L69 PolarHBondContact O-N 3.33Å; A66-L69 PolarHBondContact O-N 3.14Å; K67-L69 PolarHBondContact O-N 3.1Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 2.95Å; L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.35Å
70K97.6Very high97.1Very high143 Ų143124.9 Ų124.962%0.62256%0.563SS**Hα-helixtrans-61-38.2175.8-72.7177.4179.2-1770112.9A66 K67 R68 K74A66-K70 WeakPolarHBondContact O-CG 3.42Å; A66-K70 PolarHBondContact O-N 2.95Å; A66-K70 VanDerWaalsContact O-N 3.12Å; K67-K70 PolarHBondContact O-N 3.34Å; R68-K70 VanDerWaalsContact C-N 3.35Å; R68-K70 PolarHBondContact O-N 3.29Å; K70-K74 VanDerWaalsContact O-CB 3.28Å; K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.47Å
71E97.5Very high96.7Very high111 Ų111121.2 Ų121.252%0.51955%0.551SS.*Hα-helixtrans-68.4-41.1176.8-74.6175.6-179.800111.8K67 R68 L69 K74 R75K67-E71 WeakPolarHBondContact CE-OE1 3.29Å; K67-E71 WeakPolarHBondContact O-CG 3.38Å; K67-E71 PolarHBondContact O-N 3.11Å; R68-E71 PolarHBondContact O-N 3.25Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 PolarHBondContact O-N 2.92Å; E71-K74 PolarHBondContact O-N 2.95Å; E71-R75 WeakPolarHBondContact O-CB 3.37Å; E71-R75 PolarHBondContact O-N 3.18Å
72E97.4Very high96.3Very high86 Ų86122 Ų12240%0.40255%0.553SS.*Hα-helixtrans-62.2-47.9175.1-72.6170.5-176.900110.8R68 L69 K74 R75 Q76R68-E72 HydrophobicContact CG-CG 4.5Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 3.61Å; R68-E72 IonicContact NE-OE1 2.82Å; R68-E72 PolarHBondContact NE-OE1 2.99Å; R68-E72 IonicContact NH2-OE1 3.51Å; R68-E72 WeakPolarHBondContact O-CG 3.03Å; R68-E72 PolarHBondContact O-N 2.99Å; L69-E72 PolarHBondContact O-N 2.95Å; E72-K74 PolarHBondContact O-N 3.47Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.12Å
73E97.4Very high95.9Very high116 Ų116124.6 Ų124.654%0.54256%0.557SS.*Hα-helixtrans-58.1-45.9173.9-73172.7-177.100112.3L69 R75 Q76 R77L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.35Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 2.65Å; E73-Q76 PolarHBondContact O-N 2.99Å; E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 PolarHBondContact O-N 2.97Å
74K96.7Very high95.3Very high165 Ų165125.9 Ų125.972%0.71755%0.553SS**Hα-helixtrans-62.9-38.8178.2-173.7176.9-179.2-179.10111.6K70 E71 E72 K78K70-K74 VanDerWaalsContact O-CB 3.28Å; K70-K74 WeakPolarHBondContact O-CB 3.42Å; K70-K74 PolarHBondContact O-N 3.47Å; E71-K74 PolarHBondContact O-N 2.95Å; E72-K74 PolarHBondContact O-N 3.47Å; K74-K78 WeakPolarHBondContact O-CB 3.31Å; K74-K78 PolarHBondContact O-N 3.45Å
75R97.1Very high94.4Very high184 Ų184122.6 Ų122.669%0.69455%0.55SS**Hα-helixtrans-64.2-46.4175.3-180-175.8-97.1-160.6-5.6110.7E71 E72 E73 R77 K78 L79E71-R75 WeakPolarHBondContact O-CB 3.37Å; E71-R75 PolarHBondContact O-N 3.18Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E73-R75 VanDerWaalsContact C-N 3.31Å; E73-R75 PolarHBondContact O-N 2.65Å; R75-R77 PolarHBondContact O-N 3.5Å; R75-K78 WeakPolarHBondContact O-CB 3.5Å; R75-K78 PolarHBondContact O-N 3.42Å; R75-L79 HydrophobicContact CG-CD1 4.46Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 2.93Å
76Q96.3Very high93.6Very high122 Ų122123 Ų12357%0.5756%0.555SS**Hα-helixtrans-61-45.3177.4-66.9-56.7-21.900111.8E72 E73 K78 L79 E80E72-Q76 WeakPolarHBondContact O-CG 3.4Å; E72-Q76 PolarHBondContact O-N 3.12Å; E73-Q76 PolarHBondContact O-N 2.99Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 2.97Å; Q76-E80 PolarHBondContact O-N 3.24Å
77R95.6Very high92.8Very high173 Ų173126.8 Ų126.865%0.65357%0.567SS**Hα-helixtrans-62-35.5176.2-170.7176.4-179-179.50.8112.4E73 R75 N81E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 PolarHBondContact O-N 2.97Å; R75-R77 PolarHBondContact O-N 3.5Å; R77-N81 VanDerWaalsContact O-CB 3.27Å; R77-N81 WeakPolarHBondContact O-CB 3.34Å; R77-N81 PolarHBondContact O-N 3.42Å; R77-N81 PolarHBondContact O-ND2 2.89Å; R77-N81 PolarHBondContact O-OD1 3.01Å
78K95.5Very high91.7Very high127 Ų127124.5 Ų124.555%0.55256%0.564SS**Hα-helixtrans-64.9-46.8175.2-168.6176.8-174.7-81.60111.2K74 R75 Q76 E80 N81 E82K74-K78 WeakPolarHBondContact O-CB 3.31Å; K74-K78 PolarHBondContact O-N 3.45Å; R75-K78 WeakPolarHBondContact O-CB 3.5Å; R75-K78 PolarHBondContact O-N 3.42Å; Q76-K78 VanDerWaalsContact C-N 3.28Å; Q76-K78 PolarHBondContact O-N 2.98Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-E80 PolarHBondContact O-N 3.13Å; K78-N81 PolarHBondContact O-N 3.48Å; K78-E82 IonicContact NZ-OE1 2.68Å; K78-E82 PolarHBondContact NZ-OE1 2.97Å; K78-E82 WeakPolarHBondContact O-CB 3.28Å; K78-E82 WeakPolarHBondContact O-CG 3.04Å; K78-E82 PolarHBondContact O-N 3.28Å
79L95.1Very high90.7Very high72 Ų72122.3 Ų122.338%0.37757%0.569SS.*Hα-helixtrans-62.2-41.3177.2-68172.1000111.9R75 Q76 E82 R83R75-L79 HydrophobicContact CG-CD1 4.46Å; R75-L79 WeakPolarHBondContact O-CG 3.49Å; R75-L79 PolarHBondContact O-N 2.93Å; Q76-L79 PolarHBondContact O-N 2.97Å; L79-E82 PolarHBondContact O-N 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 2.91Å
80E93.3Very high89.8Confident89 Ų89122.8 Ų122.842%0.41658%0.577SS.*Hα-helixtrans-65.8-42.7175.5-172.1-178.4-169.600111.8Q76 K78 E82 R83 R84Q76-E80 PolarHBondContact O-N 3.24Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-E80 PolarHBondContact O-N 3.13Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R84 HydrophobicContact CG-CG 4.5Å; E80-R84 WeakPolarHBondContact O-CB 3.46Å; E80-R84 WeakPolarHBondContact O-CG 3.4Å; E80-R84 PolarHBondContact O-N 3.01Å; E80-R84 IonicContact OE1-CZ 3.25Å; E80-R84 VanDerWaalsContact OE1-CZ 3.25Å; E80-R84 IonicContact OE1-NE 3.24Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 IonicContact OE1-NH2 2.65Å; E80-R84 PolarHBondContact OE1-NH2 3.31Å
81N90.8Very high89Confident82 Ų82119.3 Ų119.344%0.43957%0.565SS.*Hα-helixtrans-63.3-38.3175.4-73.3-17.1000112R77 K78 R84 S85R77-N81 VanDerWaalsContact O-CB 3.27Å; R77-N81 WeakPolarHBondContact O-CB 3.34Å; R77-N81 PolarHBondContact O-N 3.42Å; R77-N81 PolarHBondContact O-ND2 2.89Å; R77-N81 PolarHBondContact O-OD1 3.01Å; K78-N81 PolarHBondContact O-N 3.48Å; N81-R84 PolarHBondContact O-N 2.73Å; N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 3.29Å
82E90Very high88.3Confident85 Ų85120.1 Ų120.140%0.39758%0.577SS.*Hα-helixtrans-61.5-49.7175.2-77.3167.7-173.400110.3K78 L79 E80 R84 S85 E86K78-E82 IonicContact NZ-OE1 2.68Å; K78-E82 PolarHBondContact NZ-OE1 2.97Å; K78-E82 WeakPolarHBondContact O-CB 3.28Å; K78-E82 WeakPolarHBondContact O-CG 3.04Å; K78-E82 PolarHBondContact O-N 3.28Å; L79-E82 PolarHBondContact O-N 3.29Å; E80-E82 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 3Å; E82-R84 PolarHBondContact O-N 3.03Å; E82-S85 WeakPolarHBondContact CA-OG 3.32Å; E82-S85 PolarHBondContact O-N 3.26Å; E82-S85 PolarHBondContact O-OG 2.94Å; E82-E86 PolarHBondContact O-N 3.42Å; E82-E86 VanDerWaalsContact O-N 3.08Å
83R89.1Confident87.9Confident180 Ų180119.5 Ų119.568%0.67958%0.577SS**Hα-helixtrans-58-46.4174.5-68.9174.6-175.1177.11112.6L79 E80 S85 E86L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 2.91Å; E80-R83 PolarHBondContact O-N 3.38Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.04Å; R83-E86 PolarHBondContact O-N 2.67Å
84R84.6Confident87.3Confident156 Ų156118.1 Ų118.159%0.58958%0.578SS**Hα-helixtrans-67.2-33178.4-71.7-179.6-174.5-160.13112.2E80 N81 E82 E86 I87E80-R84 HydrophobicContact CG-CG 4.5Å; E80-R84 WeakPolarHBondContact O-CB 3.46Å; E80-R84 WeakPolarHBondContact O-CG 3.4Å; E80-R84 PolarHBondContact O-N 3.01Å; E80-R84 IonicContact OE1-CZ 3.25Å; E80-R84 VanDerWaalsContact OE1-CZ 3.25Å; E80-R84 IonicContact OE1-NE 3.24Å; E80-R84 PolarHBondContact OE1-NE 3.15Å; E80-R84 IonicContact OE1-NH2 2.65Å; E80-R84 PolarHBondContact OE1-NH2 3.31Å; N81-R84 PolarHBondContact O-N 2.73Å; E82-R84 PolarHBondContact O-N 3.03Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-I87 PolarHBondContact O-N 3.46Å
85S80.6Confident87Confident91 Ų91112.1 Ų112.164%0.63656%0.559SS**Hα-helixtrans-73-27.8179.669.40000113.2N81 E82 R83N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.47Å; N81-S85 PolarHBondContact O-OG 3.29Å; E82-S85 WeakPolarHBondContact CA-OG 3.32Å; E82-S85 PolarHBondContact O-N 3.26Å; E82-S85 PolarHBondContact O-OG 2.94Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.04Å
86E81.2Confident86.5Confident162 Ų162109.3 Ų109.376%0.75755%0.552SS**Hα-helixtrans-66.9-30.5171.3-172169.5-158.100111.4E82 R83 R84 V88E82-E86 PolarHBondContact O-N 3.42Å; E82-E86 VanDerWaalsContact O-N 3.08Å; R83-E86 PolarHBondContact O-N 2.67Å; R84-E86 VanDerWaalsContact C-N 3.35Å; E86-V88 PolarHBondContact O-N 2.91Å; E86-V88 VanDerWaalsContact O-N 3.09Å
87I80.5Confident86Confident125 Ų125106.4 Ų106.464%0.64154%0.54SS*.SBendtrans-77.296.9175.8-57.4170000109.5R84R84-I87 PolarHBondContact O-N 3.46Å
88V75.3Confident85.6Confident87 Ų87107.1 Ų107.153%0.52755%0.548SS..PPolyproline II helixtrans-73.2125.6174.3-179.10000110.2E86 P90 V109E86-V88 PolarHBondContact O-N 2.91Å; E86-V88 VanDerWaalsContact O-N 3.09Å; V88-P90 WeakPolarHBondContact O-CD 3.42Å; V88-V109 HydrophobicContact CG2-CG2 4.37Å
89V76Confident85.3Confident118 Ų118111.5 Ų111.572%0.71556%0.561SS**PPolyproline II helixtrans-77.2119.9169178.50000109.1I91V89-I91 PolarHBondContact O-N 3.11Å
90P79.2Confident85Confident105 Ų105110.5 Ų110.568%0.68256%0.556SS**PPolyproline II helixtrans-64.9122.3175-19.532.8000110.8V88 T92V88-P90 WeakPolarHBondContact O-CD 3.42Å; P90-T92 PolarHBondContact O-N 3.37Å
91I80.3Confident84.9Confident70 Ų70115.8 Ų115.836%0.35957%0.572SS.*  trans-84.897.2170.9-56.7175.4000107.8V89 N93 K96 I97 I108V89-I91 PolarHBondContact O-N 3.11Å; I91-N93 WeakPolarHBondContact CG2-O 3.35Å; I91-K96 HydrophobicContact CG2-CB 4.08Å; I91-I97 HydrophobicContact CB-CG1 4.49Å; I91-I97 HydrophobicContact CD1-CG1 4.26Å; I91-I97 HydrophobicContact CG2-CD1 4.34Å; I91-I97 HydrophobicContact CG2-CG1 3.85Å; I91-I108 HydrophobicContact CD1-CD1 4.01Å; I91-I108 HydrophobicContact CD1-CG1 4.24Å
92T83.3Confident84.8Confident127 Ų127120.2 Ų120.278%0.77959%0.587SS**  trans-71.1-35.6179.853.50000112.9P90 P94P90-T92 PolarHBondContact O-N 3.37Å; T92-P94 WeakPolarHBondContact O-CD 3.5Å
93N87.9Confident84.6Confident73 Ų73124.6 Ų124.639%0.3961%0.605SS.*  trans-95.3112.4-177.4-177-10.3000111.3I91 A95 K96I91-N93 WeakPolarHBondContact CG2-O 3.35Å; N93-A95 VanDerWaalsContact C-N 3.25Å; N93-A95 PolarHBondContact O-N 2.94Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.98Å; N93-K96 HydrophobicContact CB-CD 4.17Å; N93-K96 HydrophobicContact CB-CG 4.08Å; N93-K96 WeakPolarHBondContact O-CB 3.36Å; N93-K96 PolarHBondContact O-N 3.08Å; N93-K96 VanDerWaalsContact O-N 3.08Å
94P85.7Confident84.5Confident87 Ų87120.5 Ų120.557%0.56559%0.593SS**Hα-helixtrans-65.7-24.9179.827.5-35.3000113.4T92 K96 I97 K98T92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-K96 PolarHBondContact O-N 3.24Å; P94-I97 WeakPolarHBondContact O-CB 3.38Å; P94-I97 PolarHBondContact O-N 2.95Å; P94-I97 VanDerWaalsContact O-N 3.08Å; P94-K98 PolarHBondContact O-N 3.18Å
95A89.7Confident84.6Confident40 Ų40117 Ų11733%0.33159%0.585SS.*Hα-helixtrans-63.3-25.8175.200000112.1N93 R99N93-A95 VanDerWaalsContact C-N 3.25Å; N93-A95 PolarHBondContact O-N 2.94Å; N93-A95 WeakPolarHBondContact OD1-CB 3.47Å; N93-A95 PolarHBondContact OD1-N 2.98Å; A95-R99 WeakPolarHBondContact O-CG 3.33Å; A95-R99 PolarHBondContact O-N 3.12Å
96K86.6Confident84.7Confident125 Ų125123 Ų12354%0.54359%0.593SS.*Hα-helixtrans-65.1-43.2172.9-67.5-178.3177.5178.90110.8I91 N93 P94 K98 R99 L100I91-K96 HydrophobicContact CG2-CB 4.08Å; N93-K96 HydrophobicContact CB-CD 4.17Å; N93-K96 HydrophobicContact CB-CG 4.08Å; N93-K96 WeakPolarHBondContact O-CB 3.36Å; N93-K96 PolarHBondContact O-N 3.08Å; N93-K96 VanDerWaalsContact O-N 3.08Å; P94-K96 PolarHBondContact O-N 3.24Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.91Å; K96-R99 PolarHBondContact O-N 2.98Å; K96-R99 VanDerWaalsContact O-N 3.15Å; K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 3.13Å
97I86.2Confident84.6Confident61 Ų61120.8 Ų120.831%0.31359%0.591SS.*Hα-helixtrans-58.9-44.3-179.9-56.4177.2000110.7I91 P94 R99 L100 I108I91-I97 HydrophobicContact CB-CG1 4.49Å; I91-I97 HydrophobicContact CD1-CG1 4.26Å; I91-I97 HydrophobicContact CG2-CD1 4.34Å; I91-I97 HydrophobicContact CG2-CG1 3.85Å; P94-I97 WeakPolarHBondContact O-CB 3.38Å; P94-I97 PolarHBondContact O-N 2.95Å; P94-I97 VanDerWaalsContact O-N 3.08Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 PolarHBondContact O-N 3.09Å; I97-L100 WeakPolarHBondContact O-CB 3.43Å; I97-L100 PolarHBondContact O-N 2.88Å; I97-I108 HydrophobicContact CG2-CD1 4.19Å
98K87.4Confident84.7Confident188 Ų188117.5 Ų117.582%0.81757%0.574SS**Hα-helixtrans-63.7-26.4-179.7-64.5-175.1179.4-177.40114P94 K96P94-K98 PolarHBondContact O-N 3.18Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.91Å
99R88.9Confident84.6Confident218 Ų218118.2 Ų118.282%0.82358%0.578SS**Hα-helixtrans-86.2-12.3179.3-66.6177.1-173.2-1801.9113.4A95 K96 I97A95-R99 WeakPolarHBondContact O-CG 3.33Å; A95-R99 PolarHBondContact O-N 3.12Å; K96-R99 PolarHBondContact O-N 2.98Å; K96-R99 VanDerWaalsContact O-N 3.15Å; I97-R99 VanDerWaalsContact C-N 3.25Å; I97-R99 PolarHBondContact O-N 3.09Å
100L88.2Confident84.3Confident51 Ų51118.6 Ų118.627%0.26758%0.582SS.*SBendtrans-73.2146.5-177.1-68.8173.1000111.5K96 I97 Q104 M105 I108K96-L100 WeakPolarHBondContact O-CG 3.35Å; K96-L100 PolarHBondContact O-N 3.13Å; I97-L100 WeakPolarHBondContact O-CB 3.43Å; I97-L100 PolarHBondContact O-N 2.88Å; L100-Q104 HydrophobicContact CB-CB 4.13Å; L100-Q104 HydrophobicContact CD2-CB 4.18Å; L100-M105 HydrophobicContact CB-CG 4.27Å; L100-I108 HydrophobicContact CD1-CD1 3.79Å
101R90.6Very high83.6Confident201 Ų201128.7 Ų128.776%0.75861%0.606SS**  trans-70.6153.2172-66.3-179.4176175.1-1.2110.2K103 Q104 M105R101-K103 PolarHBondContact O-N 3.2Å; R101-Q104 WeakPolarHBondContact O-CB 3.26Å; R101-Q104 PolarHBondContact O-N 3.04Å; R101-M105 PolarHBondContact O-N 3.44Å
102K89Confident83.7Confident174 Ų174131.7 Ų131.776%0.75762%0.618SS**Hα-helixtrans-48-38.1177.8-72-173.4178.4-179.20114Q104 M105K102-Q104 PolarHBondContact O-N 3Å; K102-M105 HydrophobicContact CB-CE 4.33Å; K102-M105 HydrophobicContact CG-CE 3.94Å; K102-M105 PolarHBondContact O-N 2.9Å
103K87.1Confident83.7Confident177 Ų177131.9 Ų131.977%0.7761%0.61SS**Hα-helixtrans-64.1-37.1177.8-172.3177.1179.3179.60113.1R101R101-K103 PolarHBondContact O-N 3.2Å
104Q86.4Confident83.5Confident94 Ų94135.2 Ų135.244%0.43962%0.622SS.*Hα-helixtrans-77-29.5179.3-65.2169.3-5600111.9L100 R101 K102 R106 T107L100-Q104 HydrophobicContact CB-CB 4.13Å; L100-Q104 HydrophobicContact CD2-CB 4.18Å; R101-Q104 WeakPolarHBondContact O-CB 3.26Å; R101-Q104 PolarHBondContact O-N 3.04Å; K102-Q104 PolarHBondContact O-N 3Å; Q104-R106 VanDerWaalsContact C-N 3.26Å; Q104-R106 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-OG1 3.22Å
105M85.5Confident83.4Confident83 Ų83138 Ų13841%0.40963%0.625SS.*Hα-helixtrans-64.1-31.3174.7-72.1-168.3-72.900112.7L100 R101 K102 T107 I108L100-M105 HydrophobicContact CB-CG 4.27Å; R101-M105 PolarHBondContact O-N 3.44Å; K102-M105 HydrophobicContact CB-CE 4.33Å; K102-M105 HydrophobicContact CG-CE 3.94Å; K102-M105 PolarHBondContact O-N 2.9Å; M105-T107 PolarHBondContact O-N 3.43Å; M105-T107 VanDerWaalsContact O-N 3.13Å; M105-I108 PolarHBondContact O-N 3.07Å; M105-I108 VanDerWaalsContact O-N 3.15Å
106R83.2Confident83Confident216 Ų216144.1 Ų144.182%0.81564%0.644SS**THydrogen-bonded Turntrans-61.8-20.3179.7-67-178.9-177.6178.6-1.1114.3Q104Q104-R106 VanDerWaalsContact C-N 3.26Å; Q104-R106 PolarHBondContact O-N 3.25Å
107T80.3Confident82.7Confident116 Ų116145.4 Ų145.471%0.71265%0.651SS**THydrogen-bonded Turntrans-96.3-3.5-178.8540000113.2Q104 M105 V109Q104-T107 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-OG1 3.22Å; M105-T107 PolarHBondContact O-N 3.43Å; M105-T107 VanDerWaalsContact O-N 3.13Å; T107-V109 PolarHBondContact O-N 2.99Å
108I81.1Confident82.5Confident57 Ų57151.4 Ų151.429%0.29268%0.675SS.*PPolyproline II helixtrans-79.6120.5177.5-58.4175000107.9I91 I97 L100 M105I91-I108 HydrophobicContact CD1-CD1 4.01Å; I91-I108 HydrophobicContact CD1-CG1 4.24Å; I97-I108 HydrophobicContact CG2-CD1 4.19Å; L100-I108 HydrophobicContact CD1-CD1 3.79Å; M105-I108 PolarHBondContact O-N 3.07Å; M105-I108 VanDerWaalsContact O-N 3.15Å
109V73.6Confident82.1Confident101 Ų101148.6 Ų148.661%0.61266%0.664SS**PPolyproline II helixtrans-81.7120.5170179.90000108V88 T107V88-V109 HydrophobicContact CG2-CG2 4.37Å; T107-V109 PolarHBondContact O-N 2.99Å
110T70.4Confident81.6Confident127 Ų127142.8 Ų142.878%0.77965%0.651SS**PPolyproline II helixtrans-73.8124.616341.90000107.9
111R63.4Low81Confident317 Ų317151.2 Ų151.2100%1.19669%0.685SS**  trans-64.80169.1-129.1-176.6-165.4164.42.6110.5

Retrieved 111 of 111 residues in 23.3 ms (Link to these results)