G4LWF2_SCHMA Loading...

Peptidase, putative

AlphaFold DB , UniProt , Accession G4LWF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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
1M39.9Very low63.2Low235 Ų235151.5 Ų151.5100%1.15877%0.769SS**  098.20-67.4-62.8178.700109.5K3M1-K3 PolarHBondContact O-N 3.12Å
2S47Very low64.7Low111 Ų111156.6 Ų156.678%0.77677%0.772SS**  trans-68110.3179.61630000109.8N4S2-N4 PolarHBondContact O-N 3.35Å; S2-N4 VanDerWaalsContact O-N 3.11Å
3K54.5Low66.1Low196 Ų196155.4 Ų155.485%0.85275%0.753SS**  trans-65.9108.8173.9-68.5177.3179.9176.10108.2M1 K5M1-K3 PolarHBondContact O-N 3.12Å; K3-K5 PolarHBondContact O-N 3.41Å
4N56.6Low67.5Low150 Ų150152 Ų15280%0.80273%0.733SS**  trans-49.9104.2175.1-82.9-28.8000110.4S2 V6S2-N4 PolarHBondContact O-N 3.35Å; S2-N4 VanDerWaalsContact O-N 3.11Å; N4-V6 PolarHBondContact O-N 3.45Å
5K56.2Low68.7Low207 Ų207151.7 Ų151.790%0.973%0.727SS**  trans-67.397.3172-106.5178.3177.6175.70107.9K3 R7K3-K5 PolarHBondContact O-N 3.41Å; K5-R7 PolarHBondContact O-N 3.39Å
6V64.4Low69.8Low130 Ų130152.4 Ų152.479%0.78872%0.722SS**  trans-58.3109.2168.9178.70000107.3N4 Q8N4-V6 PolarHBondContact O-N 3.45Å; V6-Q8 PolarHBondContact O-N 2.97Å
7R66.5Low70.8Confident230 Ų230149.3 Ų149.387%0.86871%0.705SS**  trans-59.6104.8178.1-91.5-179.2162.8-177.3-4.6109K5 H9K5-R7 PolarHBondContact O-N 3.39Å; R7-H9 PolarHBondContact O-N 3.36Å; R7-H9 VanDerWaalsContact O-N 3.13Å
8Q70.5Confident71.7Confident164 Ų164148.4 Ų148.477%0.76670%0.7SS**PPolyproline II helixtrans-54.9116.7170.2-72.1-103.60.300108.6V6V6-Q8 PolarHBondContact O-N 2.97Å
9H76.7Confident72.3Confident64 Ų64143.7 Ų143.730%0.29668%0.682SS.*PPolyproline II helixtrans-68139.8173.9-73.6-36.9000110.2R7 R13 K14 K17R7-H9 PolarHBondContact O-N 3.36Å; R7-H9 VanDerWaalsContact O-N 3.13Å; H9-R13 HydrophobicContact CB-CB 4.31Å; H9-R13 PolarHBondContact CE1-NH1 3.24Å; H9-K14 HydrophobicContact CB-CG 4.06Å; H9-K14 WeakPolarHBondContact O-CE 3.42Å; H9-K17 PolarHBondContact NE2-NZ 3.08Å
10S80.3Confident72.8Confident75 Ų75139.4 Ų139.452%0.52467%0.665SS.*PPolyproline II helixtrans-55.2149.7171.964.90000111.1R12 R13 K14S10-R12 PolarHBondContact O-N 2.82Å; S10-R13 PolarHBondContact O-N 2.79Å; S10-K14 PolarHBondContact O-N 3.35Å
11S82.5Confident73.2Confident104 Ų104138.5 Ų138.573%0.72766%0.66SS**Hα-helixtrans-49.5-42.7178.7540000112.3R13 K14 K15S11-R13 VanDerWaalsContact C-N 3.35Å; S11-R13 PolarHBondContact O-N 3.36Å; S11-K14 PolarHBondContact O-N 3.04Å; S11-K15 PolarHBondContact O-N 2.83Å
12R81.6Confident75.1Confident213 Ų213130.6 Ų130.680%0.80463%0.628SS**Hα-helixtrans-58.9-41.5175.5-176.8174.5167.7147.6-2.9112.8S10 Y16S10-R12 PolarHBondContact O-N 2.82Å; R12-Y16 PolarHBondContact O-N 3.08Å
13R82.3Confident76.3Confident141 Ų141133.6 Ų133.653%0.53262%0.623SS.*Hα-helixtrans-74.8-34-178.8-164.3176-174.1-170.10.4111.8H9 S10 S11 K17H9-R13 HydrophobicContact CB-CB 4.31Å; H9-R13 PolarHBondContact CE1-NH1 3.24Å; S10-R13 PolarHBondContact O-N 2.79Å; S11-R13 VanDerWaalsContact C-N 3.35Å; S11-R13 PolarHBondContact O-N 3.36Å; R13-K17 PolarHBondContact O-N 3.25Å; R13-K17 VanDerWaalsContact O-N 3.12Å
14K86.7Confident77.3Confident108 Ų108129.7 Ų129.747%0.4762%0.615SS.*Hα-helixtrans-61.5-50.2170.3-70.5-175.4-178.3177.70110.8H9 S10 S11 Y16 K17 E18H9-K14 HydrophobicContact CB-CG 4.06Å; H9-K14 WeakPolarHBondContact O-CE 3.42Å; S10-K14 PolarHBondContact O-N 3.35Å; S11-K14 PolarHBondContact O-N 3.04Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.15Å; K14-K17 PolarHBondContact O-N 3.05Å; K14-K17 VanDerWaalsContact O-N 3.12Å; K14-E18 PolarHBondContact O-N 3.01Å
15K85.6Confident78.1Confident148 Ų148128.4 Ų128.464%0.64361%0.608SS**Hα-helixtrans-60.3-39.6179.2-154.3173.5-171.2176.60112.9S11 E18 V19S11-K15 PolarHBondContact O-N 2.83Å; K15-E18 PolarHBondContact O-N 3.48Å; K15-V19 WeakPolarHBondContact O-CG2 3.09Å; K15-V19 PolarHBondContact O-N 2.88Å; K15-V19 VanDerWaalsContact O-N 3.11Å
16Y84.8Confident78.6Confident163 Ų163120.8 Ų120.864%0.63958%0.581SS**Hα-helixtrans-64.8-43.8174.8-177.9-96.8000112.4R12 K14 E18 V19 V20R12-Y16 PolarHBondContact O-N 3.08Å; K14-Y16 VanDerWaalsContact C-N 3.33Å; K14-Y16 PolarHBondContact O-N 3.15Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 2.76Å; Y16-V19 PolarHBondContact O-N 3.04Å; Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.73Å; Y16-V20 HydrophobicContact CE2-CG2 4.35Å; Y16-V20 WeakPolarHBondContact O-CG2 3.26Å; Y16-V20 PolarHBondContact O-N 3.32Å
17K87.1Confident78.5Confident99 Ų99124.6 Ų124.643%0.4359%0.587SS.*Hα-helixtrans-61.3-41.5176.7-81.2-174.3170.5-176.30111.8H9 R13 K14 V20 Q21H9-K17 PolarHBondContact NE2-NZ 3.08Å; R13-K17 PolarHBondContact O-N 3.25Å; R13-K17 VanDerWaalsContact O-N 3.12Å; K14-K17 PolarHBondContact O-N 3.05Å; K14-K17 VanDerWaalsContact O-N 3.12Å; K17-V20 PolarHBondContact O-N 2.85Å; K17-Q21 WeakPolarHBondContact O-CB 3.08Å; K17-Q21 PolarHBondContact O-N 3.28Å
18E86.5Confident77.8Confident133 Ų133118.3 Ų118.362%0.62157%0.574SS**Hα-helixtrans-58.9-47.7174.2-99.2176.7163.300112.6K14 K15 Y16 V20 Q21 S22K14-E18 PolarHBondContact O-N 3.01Å; K15-E18 PolarHBondContact O-N 3.48Å; Y16-E18 VanDerWaalsContact C-N 3.33Å; Y16-E18 PolarHBondContact O-N 2.76Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.06Å; E18-Q21 PolarHBondContact O-N 3.34Å; E18-S22 PolarHBondContact O-N 2.98Å
19V84.7Confident76.9Confident59 Ų59115.9 Ų115.936%0.35857%0.573SS.*Hα-helixtrans-65-35.3179.3172.70000111.8K15 Y16 S22 R23K15-V19 WeakPolarHBondContact O-CG2 3.09Å; K15-V19 PolarHBondContact O-N 2.88Å; K15-V19 VanDerWaalsContact O-N 3.11Å; Y16-V19 PolarHBondContact O-N 3.04Å; V19-S22 PolarHBondContact O-OG 3.24Å; V19-R23 VanDerWaalsContact O-CG 3.29Å; V19-R23 WeakPolarHBondContact O-CG 2.96Å; V19-R23 PolarHBondContact O-N 2.9Å
20V81.6Confident75.6Confident57 Ų57117.5 Ų117.535%0.34559%0.587SS.*Hα-helixtrans-69.9-45.1175.4173.10000110.3Y16 K17 E18 S22 R23 V24Y16-V20 HydrophobicContact CD1-CG2 4.15Å; Y16-V20 HydrophobicContact CE1-CG2 3.73Å; Y16-V20 HydrophobicContact CE2-CG2 4.35Å; Y16-V20 WeakPolarHBondContact O-CG2 3.26Å; Y16-V20 PolarHBondContact O-N 3.32Å; K17-V20 PolarHBondContact O-N 2.85Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.06Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.42Å; V20-R23 PolarHBondContact O-N 3.09Å; V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.05Å; V20-V24 PolarHBondContact O-N 2.97Å
21Q81Confident73.7Confident121 Ų121121.8 Ų121.857%0.56560%0.598SS**Hα-helixtrans-62.3-38.9176.2-86.6175.3-35.400112.4K17 E18 R23 V24 N25K17-Q21 WeakPolarHBondContact O-CB 3.08Å; K17-Q21 PolarHBondContact O-N 3.28Å; E18-Q21 PolarHBondContact O-N 3.34Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 3.31Å; Q21-V24 PolarHBondContact O-N 3.2Å; Q21-N25 VanDerWaalsContact O-CB 3.28Å; Q21-N25 WeakPolarHBondContact O-CB 3.22Å; Q21-N25 PolarHBondContact O-N 3.04Å; Q21-N25 PolarHBondContact O-ND2 3.24Å
22S79.2Confident71.9Confident69 Ų69126.7 Ų126.748%0.48360%0.602SS.*Hα-helixtrans-65.2-35.9177.471.90000112.6E18 V19 V20 S26E18-S22 PolarHBondContact O-N 2.98Å; V19-S22 PolarHBondContact O-OG 3.24Å; V20-S22 VanDerWaalsContact C-N 3.34Å; V20-S22 PolarHBondContact O-N 3.42Å; S22-S26 WeakPolarHBondContact O-CB 3.49Å; S22-S26 PolarHBondContact O-N 3.47Å
23R73.5Confident70Confident175 Ų175122 Ų12266%0.6660%0.597SS**Hα-helixtrans-71.7-34.2174.6-70176.9-162.9-173.14.3113.6V19 V20 Q21 S26V19-R23 VanDerWaalsContact O-CG 3.29Å; V19-R23 WeakPolarHBondContact O-CG 2.96Å; V19-R23 PolarHBondContact O-N 2.9Å; V20-R23 PolarHBondContact O-N 3.09Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 3.31Å; R23-S26 PolarHBondContact O-OG 2.9Å
24V75Confident68.1Low114 Ų114122.1 Ų122.169%0.69160%0.598SS**Hα-helixtrans-74.2-36.8176.7174.90000110.4V20 Q21V20-V24 HydrophobicContact CG1-CG2 4.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.05Å; V20-V24 PolarHBondContact O-N 2.97Å; Q21-V24 PolarHBondContact O-N 3.2Å
25N73.8Confident65.9Low123 Ų123127.4 Ų127.466%0.65862%0.615SS**Hα-helixtrans-81.2-17-179-67.7-8000113.5Q21 K27Q21-N25 VanDerWaalsContact O-CB 3.28Å; Q21-N25 WeakPolarHBondContact O-CB 3.22Å; Q21-N25 PolarHBondContact O-N 3.04Å; Q21-N25 PolarHBondContact O-ND2 3.24Å; N25-K27 PolarHBondContact O-N 2.97Å
26S65.5Low63.8Low46 Ų46127.5 Ų127.532%0.32262%0.622SS.*  trans-69.5104.1175.962.50000110S22 R23 T28S22-S26 WeakPolarHBondContact O-CB 3.49Å; S22-S26 PolarHBondContact O-N 3.47Å; R23-S26 PolarHBondContact O-OG 2.9Å; S26-T28 PolarHBondContact O-N 3.1Å
27K63.3Low62.1Low210 Ų210126.1 Ų126.191%0.91362%0.619SS**  trans-65.5-9.4172.4-70.1178.7179.8177.30113.6N25 P29N25-K27 PolarHBondContact O-N 2.97Å; K27-P29 WeakPolarHBondContact O-CD 3.36Å
28T52.1Low60.1Low99 Ų99126.7 Ų126.761%0.60763%0.631SS**SBendtrans-68.1119.7173.9510000108.4S26 V30S26-T28 PolarHBondContact O-N 3.1Å; T28-V30 PolarHBondContact O-N 3.46Å
29P52Low58.5Low113 Ų113130 Ų13073%0.73464%0.643SS**  trans-56.1116.7174.323.3-31.5000107.2K27 Q31K27-P29 WeakPolarHBondContact O-CD 3.36Å; P29-Q31 PolarHBondContact O-N 2.87Å
30V47.8Very low56.8Low98 Ų98136.1 Ų136.159%0.59467%0.665SS**  trans-63.495.8169.71790000104.8T28 Y32T28-V30 PolarHBondContact O-N 3.46Å; V30-Y32 PolarHBondContact O-N 2.96Å
31Q40.7Very low55.1Low164 Ų164138.9 Ų138.977%0.76667%0.674SS**  trans-59100.3166.4-81.3-176.7-20.600104.9P29 T33P29-Q31 PolarHBondContact O-N 2.87Å; Q31-T33 PolarHBondContact O-N 3.13Å
32Y45Very low53.4Low207 Ų207140.1 Ų140.181%0.81268%0.677SS**  trans-59.591.2154.6-68.6-82000104.3V30 R34V30-Y32 PolarHBondContact O-N 2.96Å; Y32-R34 PolarHBondContact O-N 3.09Å
33T41.3Very low51.8Low114 Ų114146.7 Ų146.770%0.69970%0.697SS**  trans-62.380.214755.10000103.1Q31 R35Q31-T33 PolarHBondContact O-N 3.13Å; T33-R35 PolarHBondContact O-N 3.25Å
34R41.7Very low50.5Low144 Ų144144.3 Ų144.354%0.54370%0.697SS.*  trans-53.492.6163.3176.5-176.369142.6-5.7101.8Y32 L36Y32-R34 PolarHBondContact O-N 3.09Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 WeakPolarHBondContact O-CA 3.26Å; R34-L36 PolarHBondContact O-N 3.02Å
35R42.6Very low49.1Very low219 Ų219148.4 Ų148.483%0.82671%0.706SS**  trans-37.4110.7178.5-61.5176.388-1697.4102.3T33 K37T33-R35 PolarHBondContact O-N 3.25Å; R35-K37 WeakPolarHBondContact O-CA 3.17Å; R35-K37 WeakPolarHBondContact O-CG 3.15Å; R35-K37 PolarHBondContact O-N 3.47Å
36L41.5Very low47.8Very low151 Ų151149.4 Ų149.479%0.79171%0.711SS**  trans-58.190.4-174.7-84.1163.5000104.1R34 T38R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 WeakPolarHBondContact O-CA 3.26Å; R34-L36 PolarHBondContact O-N 3.02Å; L36-T38 PolarHBondContact O-N 3.26Å
37K47.8Very low46.8Very low134 Ų134155.3 Ų155.358%0.58374%0.737SS**  trans-65.6121.7-174.8-66.6-167.3177.5-177.90101.9R35 H41R35-K37 WeakPolarHBondContact O-CA 3.17Å; R35-K37 WeakPolarHBondContact O-CG 3.15Å; R35-K37 PolarHBondContact O-N 3.47Å; K37-H41 HydrophobicContact CB-CB 3.79Å; K37-H41 HydrophobicContact CD-CB 3.47Å; K37-H41 VanDerWaalsContact CD-CB 3.47Å; K37-H41 HydrophobicContact CG-CB 4.26Å
38T46.3Very low45.9Very low110 Ų110148.1 Ų148.168%0.67572%0.722SS**  trans-45152172.553.70000108.8L36 K40 H41L36-T38 PolarHBondContact O-N 3.26Å; T38-K40 PolarHBondContact O-N 2.97Å; T38-H41 PolarHBondContact O-N 3.4Å; T38-H41 VanDerWaalsContact O-N 3.12Å
39K52.2Low45.7Very low203 Ų203147.5 Ų147.588%0.88373%0.728SS**G310 helixtrans-41.6-22.2-168.7-80.2179.5174.3177.20115.7H41K39-H41 VanDerWaalsContact C-N 3.29Å; K39-H41 PolarHBondContact O-N 2.95Å
40K48.9Very low45.4Very low187 Ų187149.6 Ų149.681%0.81373%0.733SS**G310 helixtrans-58.5-21.5175.5-153.6172.4-176179.30116.4T38T38-K40 PolarHBondContact O-N 2.97Å
41H45.4Very low45.3Very low115 Ų115150.3 Ų150.353%0.53273%0.733SS.*G310 helixtrans-120.711.9-176.6-59.3-72000116.4K37 T38 K39 K43K37-H41 HydrophobicContact CB-CB 3.79Å; K37-H41 HydrophobicContact CD-CB 3.47Å; K37-H41 VanDerWaalsContact CD-CB 3.47Å; K37-H41 HydrophobicContact CG-CB 4.26Å; T38-H41 PolarHBondContact O-N 3.4Å; T38-H41 VanDerWaalsContact O-N 3.12Å; K39-H41 VanDerWaalsContact C-N 3.29Å; K39-H41 PolarHBondContact O-N 2.95Å; H41-K43 PolarHBondContact O-N 3.34Å
42K44.8Very low45.9Very low147 Ų147146.5 Ų146.564%0.63972%0.724SS**  trans-76.128.2-179.5-109.3-169.7-174.8-174.30115L44K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact O-N 3.14Å
43K46.6Very low46.1Very low208 Ų208142.5 Ų142.590%0.90472%0.717SS**  trans-83.378.7165.8-85.9-172.5174.9-177.30109H41H41-K43 PolarHBondContact O-N 3.34Å
44L46.2Very low46.5Very low125 Ų125141.8 Ų141.865%0.65471%0.708SS**  trans-82127.5164.3-72.1172.3000108.1K42 N46K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact O-N 3.14Å; L44-N46 PolarHBondContact O-N 3.09Å
45K44.4Very low46.8Very low200 Ų200142.1 Ų142.187%0.8772%0.716SS**  trans-72.8110.9171.6-70.5-175.9173-173.30107.7I47K45-I47 PolarHBondContact O-N 3.39Å
46N47.3Very low47.2Very low143 Ų143138 Ų13877%0.76571%0.709SS**  trans-67.9119.8165.8-89.6-1.5000108L44 G48L44-N46 PolarHBondContact O-N 3.09Å; N46-G48 PolarHBondContact O-N 2.93Å
47I44.1Very low47.6Very low170 Ų170140.2 Ų140.287%0.87271%0.708SS**  trans-79.8101.3170.7-61.3164.2000105K45K45-I47 PolarHBondContact O-N 3.39Å
48G45.1Very low47.8Very low59 Ų59140 Ų14061%0.60871%0.714SS**  trans-66.8137.6176.900000110.7N46N46-G48 PolarHBondContact O-N 2.93Å
49A48.2Very low48.3Very low87 Ų87144.1 Ų144.172%0.71972%0.717SS**  trans-61.1139.9171.700000110.2N51A49-N51 PolarHBondContact O-N 3.31Å
50N45.9Very low48.5Very low156 Ų156139.3 Ų139.383%0.83471%0.707SS**  trans-62.2102.4-173.4-63.6-29.1000111.4S52N50-S52 PolarHBondContact O-N 3.3Å
51N45.8Very low48.8Very low114 Ų114133.2 Ų133.261%0.6169%0.686SS**  trans-79.535.7177.7-73.1-24.4000113.3A49 N53 L54A49-N51 PolarHBondContact O-N 3.31Å; N51-N53 PolarHBondContact O-N 2.98Å; N51-N53 VanDerWaalsContact O-N 3.14Å; N51-L54 HydrophobicContact CB-CD1 4.34Å; N51-L54 PolarHBondContact O-N 3.39Å
52S52.3Low49.5Very low83 Ų83135.5 Ų135.558%0.5869%0.694SS**G310 helixtrans-63-21.3-176.956.50000113.7N50N50-S52 PolarHBondContact O-N 3.3Å
53N49.8Very low50.2Low123 Ų123133.4 Ų133.466%0.65871%0.705SS**G310 helixtrans-80.9-15.7-179-72-7.8000114.2N51N51-N53 PolarHBondContact O-N 2.98Å; N51-N53 VanDerWaalsContact O-N 3.14Å
54L49Very low50.7Low99 Ų99130.4 Ų130.452%0.51870%0.699SS.*G310 helixtrans-81.1-16.6180-79.2165.3000113.3N51 I56 Y57 N58N51-L54 HydrophobicContact CB-CD1 4.34Å; N51-L54 PolarHBondContact O-N 3.39Å; L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.09Å; L54-Y57 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-N 3.45Å
55E48.9Very low51.4Low152 Ų152129.1 Ų129.171%0.7169%0.692SS**THydrogen-bonded Turntrans-68.8-23.9178.7-71.6-164.5171.500113.3Y57 N58 R59E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 2.96Å; E55-N58 PolarHBondContact O-N 3.02Å; E55-R59 PolarHBondContact O-N 3.01Å
56I51.2Low52.4Low131 Ų131128.4 Ų128.467%0.67269%0.692SS**THydrogen-bonded Turntrans-66.4-37.3179.8-59.2172.9000110.8L54L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 PolarHBondContact O-N 3.09Å
57Y48.9Very low53.3Low198 Ų198129.1 Ų129.178%0.77670%0.696SS**THydrogen-bonded Turntrans-84.1-18.6-179-64.1-75.3000113.8L54 E55L54-Y57 PolarHBondContact O-N 3.48Å; E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 2.96Å
58N52.4Low54.5Low131 Ų131126.9 Ų126.970%0.70168%0.678SS**SBendtrans-103.27-178.5-76-30.1000113.4L54 E55 P60L54-N58 PolarHBondContact O-N 3.45Å; E55-N58 PolarHBondContact O-N 3.02Å; N58-P60 WeakPolarHBondContact O-CD 3.48Å
59R56.8Low55.8Low195 Ų195127 Ų12774%0.73667%0.666SS**PPolyproline II helixtrans-71.9121.8176.2-156.8175.5-156.3172.27.5109.1E55E55-R59 PolarHBondContact O-N 3.01Å
60P55.6Low57Low103 Ų103125.8 Ų125.867%0.66965%0.651SS**PPolyproline II helixtrans-60.2141173.324.2-31.6000109.5N58N58-P60 WeakPolarHBondContact O-CD 3.48Å
61P56.5Low58.2Low59 Ų59121.5 Ų121.538%0.38364%0.637SS.*PPolyproline II helixtrans-62.2150.9-177.8-0.57.7000111.2Y68P61-Y68 HydrophobicContact CB-CD2 4.15Å; P61-Y68 HydrophobicContact CG-CD2 3.19Å; P61-Y68 HydrophobicContact CG-CE2 3.23Å; P61-Y68 HydrophobicContact CG-CG 3.92Å
62K59.2Low59.5Low162 Ų162120 Ų12070%0.70464%0.636SS**PPolyproline II helixtrans-73.2145.4174.5-68.2174.5-178174.30107.8N64 D65K62-N64 PolarHBondContact O-N 3Å; K62-D65 PolarHBondContact O-N 3.5Å
63A59.4Low60.7Low104 Ų104120.9 Ų120.986%0.8663%0.629SS**THydrogen-bonded Turntrans-54.1-8.4-161.200000118.2
64N56.8Low62Low144 Ų144120.5 Ų120.577%0.7762%0.622SS**THydrogen-bonded Turntrans-12218.8-171.7-60.8-2.3000114K62 E66K62-N64 PolarHBondContact O-N 3Å; N64-E66 PolarHBondContact O-N 2.96Å; N64-E66 VanDerWaalsContact O-N 3.12Å
65D62.4Low63Low98 Ų98121 Ų12152%0.52462%0.622SS.*  trans-7893.8171.4-68.7-23.3000109.2K62 D67 Y68K62-D65 PolarHBondContact O-N 3.5Å; D65-D67 PolarHBondContact O-N 3.07Å; D65-D67 VanDerWaalsContact O-N 3.09Å; D65-Y68 WeakPolarHBondContact O-CB 3.27Å; D65-Y68 PolarHBondContact O-N 2.85Å
66E64Low64.3Low185 Ų185119 Ų11986%0.86461%0.614SS**THydrogen-bonded Turntrans-54.4-22.5174.7-70.9-7416300112.8N64 Y68N64-E66 PolarHBondContact O-N 2.96Å; N64-E66 VanDerWaalsContact O-N 3.12Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.92Å
67D67.2Low65.6Low158 Ų158116.4 Ų116.485%0.84560%0.601SS**THydrogen-bonded Turntrans-85.58.8178.3-63.2-35000113.8D65 V69D65-D67 PolarHBondContact O-N 3.07Å; D65-D67 VanDerWaalsContact O-N 3.09Å; D67-V69 PolarHBondContact O-N 3.35Å; D67-V69 VanDerWaalsContact O-N 3.17Å
68Y69.7Low66.7Low124 Ų124110.1 Ų110.149%0.48658%0.58SS.*  trans-75.5107.3-178.6-177-107.1000113P61 D65 E66 P70P61-Y68 HydrophobicContact CB-CD2 4.15Å; P61-Y68 HydrophobicContact CG-CD2 3.19Å; P61-Y68 HydrophobicContact CG-CE2 3.23Å; P61-Y68 HydrophobicContact CG-CG 3.92Å; D65-Y68 WeakPolarHBondContact O-CB 3.27Å; D65-Y68 PolarHBondContact O-N 2.85Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.92Å; Y68-P70 WeakPolarHBondContact O-CD 3.45Å
69V71Confident67.6Low60 Ų60108.9 Ų108.936%0.36457%0.571SS.*  trans-85.3120.1170.6-177.40000110.4D67 F73 K74D67-V69 PolarHBondContact O-N 3.35Å; D67-V69 VanDerWaalsContact O-N 3.17Å; V69-F73 HydrophobicContact CG1-CB 4.15Å; V69-F73 HydrophobicContact CG1-CD1 3.44Å; V69-F73 VanDerWaalsContact CG1-CD1 3.44Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.21Å; V69-K74 HydrophobicContact CB-CG 4.43Å; V69-K74 HydrophobicContact CG1-CG 3.85Å
70P74.7Confident68.5Low62 Ų62108.5 Ų108.540%0.40358%0.575SS.*  trans-55.5143.1179.9-26.434.4000113.3Y68 S72 F73 K74Y68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-S72 PolarHBondContact O-N 2.89Å; P70-F73 HydrophobicContact CB-CB 4.43Å; P70-F73 WeakPolarHBondContact O-CB 3.39Å; P70-F73 PolarHBondContact O-N 2.76Å; P70-K74 PolarHBondContact O-N 3.13Å; P70-K74 VanDerWaalsContact O-N 3.1Å
71A71.2Confident69.4Low67 Ų67109.1 Ų109.155%0.55457%0.569SS**Hα-helixtrans-57.3-35.7179.400000112.8F73 K74 Q75A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.08Å; A71-K74 PolarHBondContact O-N 3.06Å; A71-Q75 WeakPolarHBondContact O-CB 3.49Å; A71-Q75 PolarHBondContact O-N 2.98Å
72S73.6Confident69.6Low83 Ų83109.5 Ų109.558%0.5858%0.584SS**Hα-helixtrans-62.1-39.6174.753.70000112.5P70 Q75 M76P70-S72 PolarHBondContact O-N 2.89Å; S72-Q75 WeakPolarHBondContact O-CB 3.44Å; S72-Q75 PolarHBondContact O-N 2.91Å; S72-M76 WeakPolarHBondContact O-CB 3.25Å; S72-M76 PolarHBondContact O-N 2.7Å
73F76.8Confident69.2Low100 Ų100108.9 Ų108.944%0.43958%0.581SS.*Hα-helixtrans-70.8-42.5178.8-172.6-98.2000111.5V69 P70 A71 Q75 M76 L77V69-F73 HydrophobicContact CG1-CB 4.15Å; V69-F73 HydrophobicContact CG1-CD1 3.44Å; V69-F73 VanDerWaalsContact CG1-CD1 3.44Å; V69-F73 HydrophobicContact CG1-CE1 4.26Å; V69-F73 HydrophobicContact CG1-CG 4.21Å; P70-F73 HydrophobicContact CB-CB 4.43Å; P70-F73 WeakPolarHBondContact O-CB 3.39Å; P70-F73 PolarHBondContact O-N 2.76Å; A71-F73 VanDerWaalsContact C-N 3.34Å; A71-F73 PolarHBondContact O-N 3.08Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.04Å; F73-M76 HydrophobicContact CD2-CE 3.35Å; F73-M76 HydrophobicContact CE2-CE 3.62Å; F73-M76 HydrophobicContact CG-CE 4.28Å; F73-M76 PolarHBondContact O-N 2.97Å; F73-L77 HydrophobicContact CD1-CD1 3.48Å; F73-L77 VanDerWaalsContact CD1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD1 3.11Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.52Å; F73-L77 PolarHBondContact O-N 3.14Å
74K76.6Confident68.9Low116 Ų116110.8 Ų110.850%0.50457%0.566SS.*Hα-helixtrans-58.1-44.5171.6-67.8-175.4-176.4179.30111.1V69 P70 A71 M76 L77 L78V69-K74 HydrophobicContact CB-CG 4.43Å; V69-K74 HydrophobicContact CG1-CG 3.85Å; P70-K74 PolarHBondContact O-N 3.13Å; P70-K74 VanDerWaalsContact O-N 3.1Å; A71-K74 PolarHBondContact O-N 3.06Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.3Å; K74-L77 PolarHBondContact O-N 2.93Å; K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 PolarHBondContact O-N 3.36Å
75Q70Confident68.7Low110 Ų110112.4 Ų112.451%0.51457%0.566SS.*Hα-helixtrans-60.1-41.8177.3-177.4176.80.400111.9A71 S72 F73 L78 M79A71-Q75 WeakPolarHBondContact O-CB 3.49Å; A71-Q75 PolarHBondContact O-N 2.98Å; S72-Q75 WeakPolarHBondContact O-CB 3.44Å; S72-Q75 PolarHBondContact O-N 2.91Å; F73-Q75 VanDerWaalsContact C-N 3.3Å; F73-Q75 PolarHBondContact O-N 3.04Å; Q75-L78 PolarHBondContact O-N 3.06Å; Q75-M79 WeakPolarHBondContact O-CG 3.26Å; Q75-M79 PolarHBondContact O-N 2.77Å
76M77.2Confident68.3Low109 Ų109112.3 Ų112.354%0.53757%0.571SS.*Hα-helixtrans-64.7-43.3176.8-176.7177.754.400112.5S72 F73 K74 M79 K80S72-M76 WeakPolarHBondContact O-CB 3.25Å; S72-M76 PolarHBondContact O-N 2.7Å; F73-M76 HydrophobicContact CD2-CE 3.35Å; F73-M76 HydrophobicContact CE2-CE 3.62Å; F73-M76 HydrophobicContact CG-CE 4.28Å; F73-M76 PolarHBondContact O-N 2.97Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.3Å; M76-M79 PolarHBondContact O-N 2.72Å; M76-K80 WeakPolarHBondContact O-CB 3.49Å; M76-K80 PolarHBondContact O-N 3.37Å
77L77.3Confident67.6Low76 Ų76110 Ų11040%0.39856%0.564SS.*Hα-helixtrans-62.6-44174.9-96108.2000112.4F73 K74 M79 K80 E81F73-L77 HydrophobicContact CD1-CD1 3.48Å; F73-L77 VanDerWaalsContact CD1-CD1 3.48Å; F73-L77 HydrophobicContact CE1-CD1 3.11Å; F73-L77 HydrophobicContact CE2-CD1 4.21Å; F73-L77 HydrophobicContact CG-CD1 4.22Å; F73-L77 HydrophobicContact CZ-CD1 3.52Å; F73-L77 PolarHBondContact O-N 3.14Å; K74-L77 PolarHBondContact O-N 2.93Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 3.17Å; L77-K80 PolarHBondContact O-N 3.41Å; L77-K80 VanDerWaalsContact O-N 3.13Å; L77-E81 PolarHBondContact O-N 2.66Å
78L73.4Confident66.5Low66 Ų66109.3 Ų109.335%0.34656%0.559SS.*Hα-helixtrans-60.8-37.7177.3-89147.7000112.6K74 Q75K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 PolarHBondContact O-N 3.36Å; Q75-L78 PolarHBondContact O-N 3.06Å
79M70Confident65.3Low106 Ų106108.3 Ų108.352%0.52256%0.562SS.*Hα-helixtrans-69-39.8173.3-74.8-170.1165.500112.1Q75 M76 L77 G82 W84Q75-M79 WeakPolarHBondContact O-CG 3.26Å; Q75-M79 PolarHBondContact O-N 2.77Å; M76-M79 PolarHBondContact O-N 2.72Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 3.17Å; M79-G82 PolarHBondContact O-N 3.21Å; M79-W84 HydrophobicContact CG-CG 4.5Å
80K75.2Confident64.3Low186 Ų186112.1 Ų112.181%0.80959%0.589SS**Hα-helixtrans-68.1-38.5179.9-169.4-177178.7-1750113M76 L77 G82M76-K80 WeakPolarHBondContact O-CB 3.49Å; M76-K80 PolarHBondContact O-N 3.37Å; L77-K80 PolarHBondContact O-N 3.41Å; L77-K80 VanDerWaalsContact O-N 3.13Å; K80-G82 PolarHBondContact O-N 3.03Å
81E74.6Confident62.9Low117 Ų117111 Ų11155%0.54759%0.585SS.*THydrogen-bonded Turntrans-71.9-4.4178.4-72.6-171.3-173.600113.6L77 K83L77-E81 PolarHBondContact O-N 2.66Å; E81-K83 HydrophobicContact CB-CG 4.45Å; E81-K83 PolarHBondContact O-N 2.83Å
82G60.5Low61.7Low67 Ų67113.8 Ų113.869%0.69159%0.594SS**THydrogen-bonded Turntrans65.82.9-177.400000114M79 K80 W84M79-G82 PolarHBondContact O-N 3.21Å; K80-G82 PolarHBondContact O-N 3.03Å; G82-W84 PolarHBondContact O-N 3.19Å
83K50.7Low60.5Low149 Ų149112 Ų11265%0.64859%0.59SS**  trans-89.525.2176.9-63.4-179.9-172.5169.80112.3E81 K85E81-K83 HydrophobicContact CB-CG 4.45Å; E81-K83 PolarHBondContact O-N 2.83Å; K83-K85 PolarHBondContact O-N 2.9Å
84W53.2Low59.3Low144 Ų144114.3 Ų114.355%0.54561%0.606SS.*  trans-70.981.7172.2-16481.1000109.6M79 G82 P86M79-W84 HydrophobicContact CG-CG 4.5Å; G82-W84 PolarHBondContact O-N 3.19Å; W84-P86 HydrophobicContact CH2-CB 4.42Å
85K52.8Low58.3Low178 Ų178111.2 Ų111.277%0.77460%0.597SS**  trans-80.5134.4149.2-66-175.9-180-178.10105.3K83 L87K83-K85 PolarHBondContact O-N 2.9Å; K85-L87 PolarHBondContact O-N 2.74Å
86P54.7Low57.5Low95 Ų95116.1 Ų116.162%0.61762%0.617SS**  trans-51.4108.2175.220.1-30.6000107.1W84 L88W84-P86 HydrophobicContact CH2-CB 4.42Å; P86-L88 PolarHBondContact O-N 3.34Å; P86-L88 VanDerWaalsContact O-N 3.09Å
87L49.4Very low56.4Low138 Ų138114.6 Ų114.672%0.72363%0.629SS**  trans-51.2122.4176.4-161.276000104.6K85 D89K85-L87 PolarHBondContact O-N 2.74Å; L87-D89 PolarHBondContact O-N 3.5Å
88L43.4Very low55.5Low142 Ų142118.1 Ų118.174%0.74365%0.645SS**  trans-21.3118.9-174.2-82.177.7000111P86 P90P86-L88 PolarHBondContact O-N 3.34Å; P86-L88 VanDerWaalsContact O-N 3.09Å; L88-P90 WeakPolarHBondContact O-CD 3.48Å
89D46.2Very low54.7Low103 Ų103122.7 Ų122.755%0.55166%0.662SS**  trans-34.5117170.1-102.6-37.3000107.4L87 A91 V92 K99L87-D89 PolarHBondContact O-N 3.5Å; D89-A91 PolarHBondContact O-N 3.43Å; D89-V92 WeakPolarHBondContact O-CG2 3.42Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.14Å; D89-K99 IonicContact OD1-NZ 3.93Å
90P48.3Very low54.2Low141 Ų141126.9 Ų126.992%0.91668%0.677SS**THydrogen-bonded Turntrans-58.6-6177.5-23.232.6000112.3L88L88-P90 WeakPolarHBondContact O-CD 3.48Å
91A45.2Very low53.6Low39 Ų39127 Ų12732%0.32268%0.678SS.*THydrogen-bonded Turntrans-114.747178.600000113D89 G93 T95D89-A91 PolarHBondContact O-N 3.43Å; A91-G93 PolarHBondContact O-N 3.47Å; A91-T95 HydrophobicContact CB-CG2 4.13Å; A91-T95 WeakPolarHBondContact CB-OG1 3.34Å; A91-T95 PolarHBondContact O-OG1 3.38Å
92V47.2Very low53Low124 Ų124128.9 Ų128.975%0.75269%0.692SS**THydrogen-bonded Turntrans-64.822.6150.4-165.50000111.5D89D89-V92 WeakPolarHBondContact O-CG2 3.42Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-V92 VanDerWaalsContact O-N 3.14Å
93G47.4Very low53.2Low47 Ų47132.5 Ų132.549%0.48570%0.695SS.*THydrogen-bonded Turntrans-106.896156.300000108.4A91 T95A91-G93 PolarHBondContact O-N 3.47Å; G93-T95 WeakPolarHBondContact O-CG2 3.25Å; G93-T95 PolarHBondContact O-N 2.98Å
94D53.1Low54Low147 Ų147130.9 Ų130.979%0.78670%0.7SS**THydrogen-bonded Turntrans34.623.9160.6-102.50.6000120.4K96D94-K96 PolarHBondContact O-N 2.88Å
95T54.3Low54.6Low51 Ų51129.9 Ų129.931%0.31371%0.71SS.*  trans-84.313.617460.40000112.7A91 G93 G97 M98A91-T95 HydrophobicContact CB-CG2 4.13Å; A91-T95 WeakPolarHBondContact CB-OG1 3.34Å; A91-T95 PolarHBondContact O-OG1 3.38Å; G93-T95 WeakPolarHBondContact O-CG2 3.25Å; G93-T95 PolarHBondContact O-N 2.98Å; T95-G97 PolarHBondContact O-N 3.28Å; T95-M98 HydrophobicContact CG2-CB 4.37Å; T95-M98 HydrophobicContact CG2-CG 4.48Å; T95-M98 HydrophobicContact CG2-SD 3.98Å; T95-M98 PolarHBondContact O-N 3.37Å
96K52.9Low55.5Low214 Ų214127.1 Ų127.193%0.9371%0.71SS**THydrogen-bonded Turntrans-61.675.5165.8-101.6-174.6176.2177.10108.8D94D94-K96 PolarHBondContact O-N 2.88Å
97G55Low56.6Low77 Ų77128.2 Ų128.279%0.79471%0.714SS**THydrogen-bonded Turntrans146.2-12.6-175.200000115.4T95T95-G97 PolarHBondContact O-N 3.28Å
98M58Low58.2Low150 Ų150123.8 Ų123.874%0.73969%0.691SS**THydrogen-bonded Turntrans-94-14.2-178.3-72.4-171.16800114.9T95 K100T95-M98 HydrophobicContact CG2-CB 4.37Å; T95-M98 HydrophobicContact CG2-CG 4.48Å; T95-M98 HydrophobicContact CG2-SD 3.98Å; T95-M98 PolarHBondContact O-N 3.37Å; M98-K100 PolarHBondContact O-N 3.42Å
99K55.9Low60.4Low162 Ų162125.8 Ų125.870%0.70469%0.694SS**  trans-70.9100.2168.9-69.3-175.5-178.61740107.4D89 K101D89-K99 IonicContact OD1-NZ 3.93Å; K99-K101 PolarHBondContact O-N 2.89Å; K99-K101 VanDerWaalsContact O-N 3.17Å
100K60.9Low62.5Low193 Ų193124.9 Ų124.984%0.83969%0.687SS**PPolyproline II helixtrans-51.1123.6152.3-73.9-175.4178.5-178.80104.4M98 D102M98-K100 PolarHBondContact O-N 3.42Å; K100-D102 PolarHBondContact O-N 3.1Å; K100-D102 VanDerWaalsContact O-N 3.12Å
101K62.8Low64.6Low190 Ų190119.7 Ų119.783%0.82666%0.659SS**PPolyproline II helixtrans-54.8125.2170.8-65.6-177.4177.6-177.40105.1K99 D103K99-K101 PolarHBondContact O-N 2.89Å; K99-K101 VanDerWaalsContact O-N 3.17Å; K101-D103 PolarHBondContact O-N 2.6Å; K101-D103 VanDerWaalsContact O-N 3.15Å
102D61.1Low66.8Low156 Ų156127.7 Ų127.783%0.83469%0.686SS**PPolyproline II helixtrans-53.6126.7168.5-64.5-48.2000106K100K100-D102 PolarHBondContact O-N 3.1Å; K100-D102 VanDerWaalsContact O-N 3.12Å
103D65.5Low69Low142 Ų142130.8 Ų130.876%0.75969%0.692SS**PPolyproline II helixtrans-56130178.1-70.4-44.5000106.7K101 V105K101-D103 PolarHBondContact O-N 2.6Å; K101-D103 VanDerWaalsContact O-N 3.15Å; D103-V105 PolarHBondContact O-N 3.32Å
104P66.2Low71.1Confident116 Ų116129.6 Ų129.675%0.75367%0.674SS**  trans-60.3105.2-176.324.3-33.1000108.1P106P104-P106 WeakPolarHBondContact O-CD 3.32Å; P104-P106 VanDerWaalsContact O-N 3.17Å
105V67.3Low73.1Confident123 Ų123126.1 Ų126.175%0.74566%0.661SS**  trans-63.7117.2174.4-1800000106.1D103 V107D103-V105 PolarHBondContact O-N 3.32Å; V105-V107 PolarHBondContact O-N 3.24Å
106P71.4Confident74.9Confident119 Ų119128.8 Ų128.877%0.77367%0.674SS**  trans-63.3104.6179.2-19.832.9000108.7P104 L108P104-P106 WeakPolarHBondContact O-CD 3.32Å; P104-P106 VanDerWaalsContact O-N 3.17Å; P106-L108 PolarHBondContact O-N 2.64Å
107V77.3Confident76.8Confident118 Ų118122.4 Ų122.472%0.71566%0.66SS**PPolyproline II helixtrans-71.7121.7173.7-177.70000107.6V105 K109V105-V107 PolarHBondContact O-N 3.24Å; V107-K109 PolarHBondContact O-N 3.41Å
108L82.5Confident78.7Confident46 Ų46124.1 Ų124.124%0.24165%0.647CS.*PPolyproline II helixtrans-57.6130.3171.7-65.8-177000109.7P106 Y119 L123 E126P106-L108 PolarHBondContact O-N 2.64Å; L108-Y119 HydrophobicContact CB-CE2 4.34Å; L108-Y119 PolarHBondContact O-OH 2.95Å; L108-L123 HydrophobicContact CB-CD2 4.17Å; L108-L123 HydrophobicContact CD1-CD2 3.72Å; L108-L123 HydrophobicContact CD1-CG 4.39Å; L108-L123 HydrophobicContact CG-CD2 4.34Å; L108-E126 HydrophobicContact CD1-CG 4.22Å; L108-E126 WeakPolarHBondContact CD1-OE1 3.37Å; L108-E126 WeakPolarHBondContact CD1-OE2 3.46Å; L108-E126 WeakPolarHBondContact CD2-OE1 3.48Å; L108-E126 WeakPolarHBondContact CD2-OE2 3.48Å; L108-E126 VanDerWaalsContact CG-OE2 3.27Å; L108-E126 WeakPolarHBondContact CG-OE2 3.42Å
109K89.7Confident80.4Confident184 Ų184119.2 Ų119.280%0.862%0.621SS**PPolyproline II helixtrans-96144.3172.2-64.3-177.7179.3-178.60109.6V107 R122V107-K109 PolarHBondContact O-N 3.41Å; K109-R122 PolarHBondContact O-NH2 3.4Å
110Q91.4Very high82.1Confident84 Ų84115.5 Ų115.539%0.39361%0.609SS.*PPolyproline II helixtrans-63.5139167.2-177.11717.500110.3E114 D116 Y119Q110-E114 HydrophobicContact CG-CB 4.18Å; Q110-E114 HydrophobicContact CG-CG 4.46Å; Q110-E114 PolarHBondContact NE2-O 2.94Å; Q110-D116 PolarHBondContact NE2-OD1 3.19Å; Q110-Y119 HydrophobicContact CB-CD1 4.33Å; Q110-Y119 HydrophobicContact CB-CD2 3.82Å; Q110-Y119 HydrophobicContact CB-CE2 4.19Å; Q110-Y119 HydrophobicContact CB-CG 3.88Å; Q110-Y119 HydrophobicContact CG-CD2 4.38Å; Q110-Y119 HydrophobicContact CG-CG 4.08Å
111G90.7Very high83.7Confident32 Ų32108.2 Ų108.233%0.3359%0.588SS.*PPolyproline II helixtrans-73.1154.8176.800000112.5H113 E114G111-H113 PolarHBondContact O-N 3.33Å; G111-H113 VanDerWaalsContact O-N 3.08Å; G111-E114 PolarHBondContact N-OE2 3Å; G111-E114 PolarHBondContact O-N 3.16Å; G111-E114 VanDerWaalsContact O-N 3.13Å
112K92.8Very high85Confident206 Ų206103 Ų10390%0.89656%0.563SS**THydrogen-bonded Turntrans-55.8-28.7-178.1-65.9-176.3178.6-174.60115
113H93Very high86.5Confident189 Ų18998 Ų9888%0.87554%0.536SS*.THydrogen-bonded Turntrans-125.120.6-178.8-55.9-57.6000111.8G111G111-H113 PolarHBondContact O-N 3.33Å; G111-H113 VanDerWaalsContact O-N 3.08Å
114E92.5Very high87.8Confident23 Ų2396.7 Ų96.711%0.10753%0.525CS..  trans-90.6129.8179.5-179.3173.9-151.100109.8Q110 G111 H118 Y119 R122Q110-E114 HydrophobicContact CG-CB 4.18Å; Q110-E114 HydrophobicContact CG-CG 4.46Å; Q110-E114 PolarHBondContact NE2-O 2.94Å; G111-E114 PolarHBondContact N-OE2 3Å; G111-E114 PolarHBondContact O-N 3.16Å; G111-E114 VanDerWaalsContact O-N 3.13Å; E114-H118 HydrophobicContact CG-CB 3.86Å; E114-H118 IonicContact OE1-CE1 3.64Å; E114-H118 IonicContact OE1-CG 3.68Å; E114-H118 IonicContact OE1-ND1 2.7Å; E114-H118 PolarHBondContact OE1-ND1 2.92Å; E114-Y119 VanDerWaalsContact OE1-CA 3.23Å; E114-Y119 WeakPolarHBondContact OE1-CA 3.45Å; E114-Y119 PolarHBondContact OE1-N 3.43Å; E114-Y119 VanDerWaalsContact OE1-N 3.17Å; E114-R122 IonicContact OE1-CZ 2.91Å; E114-R122 IonicContact OE1-NE 3.41Å; E114-R122 PolarHBondContact OE1-NE 2.98Å; E114-R122 IonicContact OE1-NH1 2.72Å; E114-R122 PolarHBondContact OE1-NH1 3.18Å; E114-R122 IonicContact OE1-NH2 3.36Å; E114-R122 PolarHBondContact OE1-NH2 3.08Å; E114-R122 IonicContact OE2-CZ 2.98Å; E114-R122 IonicContact OE2-NH1 2.77Å; E114-R122 PolarHBondContact OE2-NH1 3.23Å; E114-R122 IonicContact OE2-NH2 2.66Å; E114-R122 PolarHBondContact OE2-NH2 3.43Å
115S93.8Very high89Confident74 Ų7497.3 Ų97.352%0.51752%0.516SS..  trans-68.6148.9170.959.80000111A117 H118 Y119S115-A117 PolarHBondContact O-N 3.5Å; S115-H118 WeakPolarHBondContact O-CB 3.39Å; S115-H118 PolarHBondContact O-N 2.87Å; S115-H118 WeakPolarHBondContact OG-CB 3.37Å; S115-Y119 PolarHBondContact O-N 2.86Å
116D92.7Very high90Very high107 Ų10795.6 Ų95.657%0.57250%0.5SS*.Hα-helixtrans-53.5-41.2179.2-63.1-4.5000111.9Q110 H118 Y119 L120Q110-D116 PolarHBondContact NE2-OD1 3.19Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.4Å; D116-Y119 PolarHBondContact O-N 2.89Å; D116-L120 WeakPolarHBondContact O-CB 3.43Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.34Å
117A92.4Very high90.9Very high79 Ų7994 Ų9465%0.65349%0.488SS*.Hα-helixtrans-60.1-39.4176.600000112.8S115 G121S115-A117 PolarHBondContact O-N 3.5Å; A117-G121 PolarHBondContact O-N 3.32Å
118H94.2Very high91.6Very high113 Ų11394.6 Ų94.652%0.52348%0.483SS..Hα-helixtrans-71.6-38.5177.7-172-74.9000111.1E114 S115 D116 G121 R122E114-H118 HydrophobicContact CG-CB 3.86Å; E114-H118 IonicContact OE1-CE1 3.64Å; E114-H118 IonicContact OE1-CG 3.68Å; E114-H118 IonicContact OE1-ND1 2.7Å; E114-H118 PolarHBondContact OE1-ND1 2.92Å; S115-H118 WeakPolarHBondContact O-CB 3.39Å; S115-H118 PolarHBondContact O-N 2.87Å; S115-H118 WeakPolarHBondContact OG-CB 3.37Å; D116-H118 VanDerWaalsContact C-N 3.32Å; D116-H118 PolarHBondContact O-N 3.4Å; H118-G121 PolarHBondContact O-N 3.12Å; H118-R122 WeakPolarHBondContact O-CG 3.37Å; H118-R122 PolarHBondContact O-N 3.41Å
119Y94.2Very high92Very high47 Ų4796 Ų9618%0.18449%0.49CS..Hα-helixtrans-62.3-49174.7170.2-113.4000112.1L108 Q110 E114 S115 D116 G121 R122 L123L108-Y119 HydrophobicContact CB-CE2 4.34Å; L108-Y119 PolarHBondContact O-OH 2.95Å; Q110-Y119 HydrophobicContact CB-CD1 4.33Å; Q110-Y119 HydrophobicContact CB-CD2 3.82Å; Q110-Y119 HydrophobicContact CB-CE2 4.19Å; Q110-Y119 HydrophobicContact CB-CG 3.88Å; Q110-Y119 HydrophobicContact CG-CD2 4.38Å; Q110-Y119 HydrophobicContact CG-CG 4.08Å; E114-Y119 VanDerWaalsContact OE1-CA 3.23Å; E114-Y119 WeakPolarHBondContact OE1-CA 3.45Å; E114-Y119 PolarHBondContact OE1-N 3.43Å; E114-Y119 VanDerWaalsContact OE1-N 3.17Å; S115-Y119 PolarHBondContact O-N 2.86Å; D116-Y119 PolarHBondContact O-N 2.89Å; Y119-G121 VanDerWaalsContact C-N 3.28Å; Y119-G121 PolarHBondContact O-N 2.88Å; Y119-R122 WeakPolarHBondContact O-CB 3.34Å; Y119-R122 PolarHBondContact O-N 2.76Å; Y119-R122 VanDerWaalsContact O-N 3.12Å; Y119-L123 HydrophobicContact CD1-CD1 4.19Å; Y119-L123 HydrophobicContact CE1-CD1 3.54Å; Y119-L123 HydrophobicContact CE1-CG 4.4Å; Y119-L123 HydrophobicContact CE2-CD1 4.1Å; Y119-L123 HydrophobicContact CE2-CG 4.13Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 PolarHBondContact O-N 3.49Å
120L92.8Very high91.9Very high85 Ų8592 Ų9245%0.44548%0.475SS..Hα-helixtrans-59.7-40.6174.2-69.7174.4000111.3D116 R122 L123 H124D116-L120 WeakPolarHBondContact O-CB 3.43Å; D116-L120 WeakPolarHBondContact O-CG 3.36Å; D116-L120 PolarHBondContact O-N 3.34Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 3.41Å; L120-L123 HydrophobicContact CD2-CD1 4.39Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 PolarHBondContact O-N 2.9Å
121G93Very high91.9Very high40 Ų4092.8 Ų92.841%0.41248%0.481SS..Hα-helixtrans-59.5-39.1174.200000113.2A117 H118 Y119 K125A117-G121 PolarHBondContact O-N 3.32Å; H118-G121 PolarHBondContact O-N 3.12Å; Y119-G121 VanDerWaalsContact C-N 3.28Å; Y119-G121 PolarHBondContact O-N 2.88Å; G121-K125 WeakPolarHBondContact O-CB 3.49Å; G121-K125 PolarHBondContact O-N 2.91Å; G121-K125 VanDerWaalsContact O-N 3.16Å
122R91.7Very high91.9Very high80 Ų8094 Ų9430%0.30249%0.485SS..Hα-helixtrans-66.2-45.5172.9-65-156.6-51.6-119.2-6.3111.8K109 E114 H118 Y119 L120 H124 K125 E126K109-R122 PolarHBondContact O-NH2 3.4Å; E114-R122 IonicContact OE1-CZ 2.91Å; E114-R122 IonicContact OE1-NE 3.41Å; E114-R122 PolarHBondContact OE1-NE 2.98Å; E114-R122 IonicContact OE1-NH1 2.72Å; E114-R122 PolarHBondContact OE1-NH1 3.18Å; E114-R122 IonicContact OE1-NH2 3.36Å; E114-R122 PolarHBondContact OE1-NH2 3.08Å; E114-R122 IonicContact OE2-CZ 2.98Å; E114-R122 IonicContact OE2-NH1 2.77Å; E114-R122 PolarHBondContact OE2-NH1 3.23Å; E114-R122 IonicContact OE2-NH2 2.66Å; E114-R122 PolarHBondContact OE2-NH2 3.43Å; H118-R122 WeakPolarHBondContact O-CG 3.37Å; H118-R122 PolarHBondContact O-N 3.41Å; Y119-R122 WeakPolarHBondContact O-CB 3.34Å; Y119-R122 PolarHBondContact O-N 2.76Å; Y119-R122 VanDerWaalsContact O-N 3.12Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R122 PolarHBondContact O-N 3.41Å; R122-H124 PolarHBondContact O-N 2.92Å; R122-K125 PolarHBondContact O-N 3.35Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.32Å
123L91.2Very high91.7Very high51 Ų5187.8 Ų87.827%0.26746%0.458SS..Hα-helixtrans-58.7-48.8178.5-78.2175.2000111.6L108 Y119 L120 K125 E126 V127L108-L123 HydrophobicContact CB-CD2 4.17Å; L108-L123 HydrophobicContact CD1-CD2 3.72Å; L108-L123 HydrophobicContact CD1-CG 4.39Å; L108-L123 HydrophobicContact CG-CD2 4.34Å; Y119-L123 HydrophobicContact CD1-CD1 4.19Å; Y119-L123 HydrophobicContact CE1-CD1 3.54Å; Y119-L123 HydrophobicContact CE1-CG 4.4Å; Y119-L123 HydrophobicContact CE2-CD1 4.1Å; Y119-L123 HydrophobicContact CE2-CG 4.13Å; Y119-L123 VanDerWaalsContact CZ-CD1 3.49Å; Y119-L123 PolarHBondContact O-N 3.49Å; L120-L123 HydrophobicContact CD2-CD1 4.39Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.89Å; L123-E126 PolarHBondContact O-N 3.38Å; L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.37Å
124H92.5Very high91.5Very high114 Ų11481 Ų8153%0.52843%0.43SS..Hα-helixtrans-59.4-45.1179.2-69.6-176.8000111.4L120 R122 E126 V127 E128L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 PolarHBondContact O-N 2.9Å; R122-H124 PolarHBondContact O-N 2.92Å; H124-E126 PolarHBondContact O-N 3.48Å; H124-V127 PolarHBondContact O-N 3.37Å; H124-E128 WeakPolarHBondContact O-CG 3.42Å; H124-E128 PolarHBondContact O-N 3.29Å
125K92Very high91.4Very high129 Ų12986.2 Ų86.256%0.56145%0.454SS*.Hα-helixtrans-62.1-42.3177.7-175.3-179.8176.9-175.50112.6G121 R122 L123 E128 D129G121-K125 WeakPolarHBondContact O-CB 3.49Å; G121-K125 PolarHBondContact O-N 2.91Å; G121-K125 VanDerWaalsContact O-N 3.16Å; R122-K125 PolarHBondContact O-N 3.35Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-K125 PolarHBondContact O-N 2.89Å; K125-E128 PolarHBondContact O-N 3.29Å; K125-D129 WeakPolarHBondContact O-CB 3.18Å; K125-D129 PolarHBondContact O-N 3.46Å
126E89.4Confident91.2Very high88 Ų8888.8 Ų88.841%0.41146%0.456SS..Hα-helixtrans-66.3-39.1177.5-74.6-171.6-163.200112L108 R122 L123 H124 D129 E130L108-E126 HydrophobicContact CD1-CG 4.22Å; L108-E126 WeakPolarHBondContact CD1-OE1 3.37Å; L108-E126 WeakPolarHBondContact CD1-OE2 3.46Å; L108-E126 WeakPolarHBondContact CD2-OE1 3.48Å; L108-E126 WeakPolarHBondContact CD2-OE2 3.48Å; L108-E126 VanDerWaalsContact CG-OE2 3.27Å; L108-E126 WeakPolarHBondContact CG-OE2 3.42Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.32Å; L123-E126 PolarHBondContact O-N 3.38Å; H124-E126 PolarHBondContact O-N 3.48Å; E126-D129 PolarHBondContact O-N 3.35Å; E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.47Å
127V90.1Very high91.1Very high85 Ų8584.2 Ų84.252%0.51543%0.432SS..Hα-helixtrans-62-45.2173.51710000111L123 H124 E130 L131L123-V127 WeakPolarHBondContact O-CG2 3.45Å; L123-V127 PolarHBondContact O-N 3.37Å; H124-V127 PolarHBondContact O-N 3.37Å; V127-E130 PolarHBondContact O-N 3.48Å; V127-L131 HydrophobicContact CG1-CD1 4.02Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 3.19Å
128E92.1Very high91Very high130 Ų13088 Ų8861%0.60743%0.434SS*.Hα-helixtrans-60.7-45174.9-75174.4-174.700112H124 K125 E130 L131 S132H124-E128 WeakPolarHBondContact O-CG 3.42Å; H124-E128 PolarHBondContact O-N 3.29Å; K125-E128 PolarHBondContact O-N 3.29Å; E128-E130 PolarHBondContact O-N 2.8Å; E128-L131 PolarHBondContact O-N 3.03Å; E128-S132 WeakPolarHBondContact O-CB 3.47Å; E128-S132 PolarHBondContact O-N 3.3Å; E128-S132 PolarHBondContact O-OG 2.93Å
129D89.6Confident90.9Very high75 Ų7590.8 Ų90.840%0.40145%0.445SS..Hα-helixtrans-62.1-42.6177.7-78-19.3000111K125 E126 S132 K133K125-D129 WeakPolarHBondContact O-CB 3.18Å; K125-D129 PolarHBondContact O-N 3.46Å; E126-D129 PolarHBondContact O-N 3.35Å; D129-S132 PolarHBondContact O-N 2.89Å; D129-S132 PolarHBondContact O-OG 3.26Å; D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.23Å; D129-K133 PolarHBondContact O-N 2.89Å; D129-K133 VanDerWaalsContact O-N 3.08Å
130E87.5Confident90.7Very high101 Ų10193.5 Ų93.547%0.47246%0.459SS..Hα-helixtrans-67.5-42.8175.8-70.6-53.9140.300112.7E126 V127 E128 S132 K133 V134E126-E130 WeakPolarHBondContact O-CG 3.46Å; E126-E130 PolarHBondContact O-N 3.47Å; V127-E130 PolarHBondContact O-N 3.48Å; E128-E130 PolarHBondContact O-N 2.8Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.15Å; E130-K133 WeakPolarHBondContact O-CB 3.49Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.64Å; E130-K133 PolarHBondContact OE1-NZ 3.35Å; E130-K133 IonicContact OE2-NZ 3.81Å; E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 2.88Å
131L91Very high90.4Very high100 Ų100100.8 Ų100.852%0.52448%0.481SS..Hα-helixtrans-59.7-44.3174.8-73.9174.1000111.1V127 E128 K133 V134 E135V127-L131 HydrophobicContact CG1-CD1 4.02Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.33Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 3.19Å; E128-L131 PolarHBondContact O-N 3.03Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.29Å; L131-V134 PolarHBondContact O-N 3.44Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.41Å
132S90.6Very high89.9Confident59 Ų59102.5 Ų102.541%0.41348%0.483SS..Hα-helixtrans-63.2-36.5177.975.40000112.6E128 D129 E130 F136E128-S132 WeakPolarHBondContact O-CB 3.47Å; E128-S132 PolarHBondContact O-N 3.3Å; E128-S132 PolarHBondContact O-OG 2.93Å; D129-S132 PolarHBondContact O-N 2.89Å; D129-S132 PolarHBondContact O-OG 3.26Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.15Å; S132-F136 WeakPolarHBondContact O-CB 3.41Å; S132-F136 PolarHBondContact O-N 3.43Å
133K88.6Confident89.3Confident74 Ų74107.1 Ų107.132%0.32251%0.508SS..Hα-helixtrans-63.9-46.1172.9-70.9169.3-161.6169.40111.1D129 E130 L131 F136 S137 L144D129-K133 VanDerWaalsContact O-CG 3.3Å; D129-K133 WeakPolarHBondContact O-CG 3.23Å; D129-K133 PolarHBondContact O-N 2.89Å; D129-K133 VanDerWaalsContact O-N 3.08Å; E130-K133 WeakPolarHBondContact O-CB 3.49Å; E130-K133 PolarHBondContact O-N 2.93Å; E130-K133 IonicContact OE1-NZ 2.64Å; E130-K133 PolarHBondContact OE1-NZ 3.35Å; E130-K133 IonicContact OE2-NZ 3.81Å; L131-K133 VanDerWaalsContact C-N 3.32Å; L131-K133 PolarHBondContact O-N 3.29Å; K133-F136 PolarHBondContact O-N 2.6Å; K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.4Å; K133-S137 PolarHBondContact O-N 2.85Å; K133-L144 HydrophobicContact CB-CD2 4.39Å
134V89.7Confident88.4Confident47 Ų47109.6 Ų109.629%0.28552%0.521SS..Hα-helixtrans-61.2-47.1178.2173.10000110.6E130 L131 S137 K138 L144E130-V134 WeakPolarHBondContact O-CG2 3.48Å; E130-V134 PolarHBondContact O-N 2.88Å; L131-V134 PolarHBondContact O-N 3.44Å; V134-S137 PolarHBondContact O-N 2.96Å; V134-K138 HydrophobicContact CG1-CD 4.29Å; V134-K138 WeakPolarHBondContact O-CG 3.47Å; V134-K138 PolarHBondContact O-N 3.17Å; V134-L144 HydrophobicContact CG2-CD1 3.96Å
135E91.1Very high87.2Confident133 Ų133109.4 Ų109.462%0.62153%0.528SS*.Hα-helixtrans-61.6-46.5176.9-74.7-176.6175.300112.3L131 S137 K138 K139L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.41Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.12Å; E135-K138 PolarHBondContact O-N 2.64Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.25Å
136F89.6Confident85.9Confident128 Ų128107.9 Ų107.956%0.56153%0.531SS*.Hα-helixtrans-59.5-44.3176.3-179.9-96000111.4S132 K133 K139 Q140S132-F136 WeakPolarHBondContact O-CB 3.41Å; S132-F136 PolarHBondContact O-N 3.43Å; K133-F136 PolarHBondContact O-N 2.6Å; F136-K139 PolarHBondContact O-N 3.03Å; F136-Q140 HydrophobicContact CD1-CG 4.36Å; F136-Q140 HydrophobicContact CD2-CG 4.38Å; F136-Q140 HydrophobicContact CE1-CG 3.94Å; F136-Q140 HydrophobicContact CE2-CG 3.97Å; F136-Q140 HydrophobicContact CZ-CG 3.74Å; F136-Q140 WeakPolarHBondContact O-CG 3.48Å; F136-Q140 PolarHBondContact O-N 3.12Å
137S89.4Confident84.6Confident10 Ų10110 Ų1107%0.0754%0.544CS..Hα-helixtrans-63.3-42.8178.1-150.10000111.9K133 V134 E135 Q140 R141 T142K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.4Å; K133-S137 PolarHBondContact O-N 2.85Å; V134-S137 PolarHBondContact O-N 2.96Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.12Å; S137-Q140 PolarHBondContact O-N 3.02Å; S137-R141 WeakPolarHBondContact O-CA 3.32Å; S137-R141 PolarHBondContact O-N 2.99Å; S137-T142 PolarHBondContact O-N 3.14Å; S137-T142 PolarHBondContact OG-O 2.79Å; S137-T142 PolarHBondContact OG-OG1 2.63Å
138K91.2Very high82.9Confident158 Ų158110.9 Ų110.969%0.68755%0.55SS*.Hα-helixtrans-60.9-45173.9-75.5177.2-179.4178.30111.5V134 E135 R141V134-K138 HydrophobicContact CG1-CD 4.29Å; V134-K138 WeakPolarHBondContact O-CG 3.47Å; V134-K138 PolarHBondContact O-N 3.17Å; E135-K138 PolarHBondContact O-N 2.64Å; K138-R141 PolarHBondContact O-N 2.68Å
139K91.9Very high81.4Confident172 Ų172112.8 Ų112.875%0.74856%0.558SS**Hα-helixtrans-63.1-41.7179.3-173.1175.4-177.7175.40112.2E135 F136 R141E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 PolarHBondContact O-N 3.25Å; F136-K139 PolarHBondContact O-N 3.03Å; K139-R141 VanDerWaalsContact C-N 3.34Å
140Q89Confident80.2Confident105 Ų105115.2 Ų115.249%0.49158%0.576SS.*Hα-helixtrans-87.3-3.2-179.9-60.3-58.5-27.800113.6F136 S137 T142F136-Q140 HydrophobicContact CD1-CG 4.36Å; F136-Q140 HydrophobicContact CD2-CG 4.38Å; F136-Q140 HydrophobicContact CE1-CG 3.94Å; F136-Q140 HydrophobicContact CE2-CG 3.97Å; F136-Q140 HydrophobicContact CZ-CG 3.74Å; F136-Q140 WeakPolarHBondContact O-CG 3.48Å; F136-Q140 PolarHBondContact O-N 3.12Å; S137-Q140 PolarHBondContact O-N 3.02Å; Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.57Å
141R87.6Confident79.6Confident238 Ų238118.9 Ų118.990%0.89859%0.59SS**THydrogen-bonded Turntrans51.933.2-172.8-57.3179.3177.7174.9-1.4112.8S137 K138 K139S137-R141 WeakPolarHBondContact O-CA 3.32Å; S137-R141 PolarHBondContact O-N 2.99Å; K138-R141 PolarHBondContact O-N 2.68Å; K139-R141 VanDerWaalsContact C-N 3.34Å
142T82.3Confident78.9Confident75 Ų75117.3 Ų117.346%0.4659%0.586SS.*  trans-95154.1177.454.20000110.3S137 Q140S137-T142 PolarHBondContact O-N 3.14Å; S137-T142 PolarHBondContact OG-O 2.79Å; S137-T142 PolarHBondContact OG-OG1 2.63Å; Q140-T142 HydrophobicContact CB-CG2 3.89Å; Q140-T142 PolarHBondContact O-N 2.57Å
143E79.3Confident78.8Confident177 Ų177118.2 Ų118.283%0.82759%0.592SS**  trans-75.9142.6169.2-65.2-178.5178.100110V145E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.47Å
144L71.7Confident78.9Confident104 Ų104123.2 Ų123.255%0.54561%0.614SS.*  trans-70.989.6170.6-70.3170.6000108.2K133 V134 P146K133-L144 HydrophobicContact CB-CD2 4.39Å; V134-L144 HydrophobicContact CG2-CD1 3.96Å; L144-P146 WeakPolarHBondContact O-CD 3.47Å
145V68.2Low79.1Confident109 Ų109129.4 Ų129.466%0.66164%0.637SS**  trans-66.6119.5172.5-175.70000107.1E143 I147E143-V145 VanDerWaalsContact C-N 3.3Å; E143-V145 PolarHBondContact O-N 3.47Å; V145-I147 PolarHBondContact O-N 3.35Å
146P63.6Low79.2Confident97 Ų97129.3 Ų129.363%0.6363%0.634SS**  trans-56.1135.7173.722.4-30.9000107.8L144 T148L144-P146 WeakPolarHBondContact O-CD 3.47Å; P146-T148 PolarHBondContact O-N 3.35Å; P146-T148 PolarHBondContact O-OG1 3.26Å; P146-T148 VanDerWaalsContact O-OG1 3.1Å
147I61.6Low79.2Confident134 Ų134126 Ų12669%0.68763%0.626SS**  trans-64.371.7-172.7-49.6169.4000109.1V145 E149V145-I147 PolarHBondContact O-N 3.35Å; I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 2.65Å
148T56Low79.5Confident103 Ų103132.1 Ų132.163%0.63265%0.652SS**  trans-80.587.1170.538.80000104.6P146 V150P146-T148 PolarHBondContact O-N 3.35Å; P146-T148 PolarHBondContact O-OG1 3.26Å; P146-T148 VanDerWaalsContact O-OG1 3.1Å; T148-V150 PolarHBondContact O-N 2.95Å
149E59.2Low79.7Confident169 Ų169127.3 Ų127.379%0.7964%0.642SS**  trans40.655.5158.5-56.4-175.1-173.100114.9I147 K151I147-E149 VanDerWaalsContact C-N 3.25Å; I147-E149 PolarHBondContact O-N 2.65Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 3.09Å
150V66.3Low79.8Confident126 Ų126123 Ų12376%0.76463%0.626SS**  trans-64.997.1167.5-179.10000106.8T148 P152T148-V150 PolarHBondContact O-N 2.95Å; V150-P152 WeakPolarHBondContact O-CD 3Å; V150-P152 VanDerWaalsContact O-N 3.16Å
151K73.1Confident80.1Confident179 Ų179124.6 Ų124.678%0.77863%0.631SS**PPolyproline II helixtrans-54.8123.1177.5-76-177.9179174.40107.7E149 S153E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 3.09Å; K151-S153 PolarHBondContact O-N 2.8Å
152P78Confident80.5Confident67 Ų67122.2 Ų122.244%0.43562%0.622SS.*PPolyproline II helixtrans-57.8137.317920.8-30.6000109.8V150 K156 C157V150-P152 WeakPolarHBondContact O-CD 3Å; V150-P152 VanDerWaalsContact O-N 3.16Å; P152-K156 HydrophobicContact CB-CB 4.31Å; P152-K156 HydrophobicContact CB-CD 3.97Å; P152-K156 HydrophobicContact CB-CG 4.29Å; P152-C157 VanDerWaalsContact CG-SG 3.57Å
153S87.1Confident81.2Confident77 Ų77122.8 Ų122.854%0.53862%0.622SS.*PPolyproline II helixtrans-51.4145.4175.91720000111.1K151 K155 K156 C157K151-S153 PolarHBondContact O-N 2.8Å; S153-K155 PolarHBondContact O-N 2.7Å; S153-K155 PolarHBondContact OG-N 2.73Å; S153-K156 WeakPolarHBondContact O-CA 3.27Å; S153-K156 WeakPolarHBondContact O-CB 3.33Å; S153-K156 PolarHBondContact O-N 3.35Å; S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 VanDerWaalsContact O-N 3.07Å
154K92.1Very high82Confident180 Ų180117.7 Ų117.778%0.78360%0.601SS**Hα-helixtrans-47.8-35.9176.3-69.4-179.6179.2176.90112.3K158K154-K158 WeakPolarHBondContact O-CG 3.21Å; K154-K158 PolarHBondContact O-N 3.21Å; K154-K158 VanDerWaalsContact O-N 3.09Å
155K93.4Very high83.2Confident176 Ų176116.2 Ų116.277%0.76559%0.593SS**Hα-helixtrans-66.1-44.1176.6-66.8-173.7-179.6-179.50112.3S153 K158 A159S153-K155 PolarHBondContact O-N 2.7Å; S153-K155 PolarHBondContact OG-N 2.73Å; K155-K158 PolarHBondContact O-N 3.44Å; K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.38Å
156K92.2Very high84.6Confident131 Ų131116.9 Ų116.957%0.5759%0.587SS**Hα-helixtrans-63.4-43.9177.6-173.1174.4178.7-179.50110.9P152 S153 K158 A159 I160P152-K156 HydrophobicContact CB-CB 4.31Å; P152-K156 HydrophobicContact CB-CD 3.97Å; P152-K156 HydrophobicContact CB-CG 4.29Å; S153-K156 WeakPolarHBondContact O-CA 3.27Å; S153-K156 WeakPolarHBondContact O-CB 3.33Å; S153-K156 PolarHBondContact O-N 3.35Å; K156-K158 PolarHBondContact O-N 3.4Å; K156-A159 PolarHBondContact O-N 3.05Å; K156-I160 HydrophobicContact CG-CD1 4.03Å; K156-I160 WeakPolarHBondContact O-CG1 3.18Å; K156-I160 PolarHBondContact O-N 2.8Å
157C90.3Very high86.2Confident58 Ų58119.1 Ų119.139%0.39258%0.583SS.*Hα-helixtrans-60.1-45.9175.3-61.50000112.4P152 S153 A159 I160 K161P152-C157 VanDerWaalsContact CG-SG 3.57Å; S153-C157 PolarHBondContact O-N 3.21Å; S153-C157 VanDerWaalsContact O-N 3.07Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.46Å; C157-I160 PolarHBondContact O-N 2.76Å; C157-K161 WeakPolarHBondContact O-CB 3.41Å; C157-K161 PolarHBondContact O-N 2.96Å
158K95.2Very high87.8Confident139 Ų139119 Ų11960%0.60458%0.578SS**Hα-helixtrans-62-40.6176.4-74.6-178.7179.4-172.50112K154 K155 K156 K161 R162K154-K158 WeakPolarHBondContact O-CG 3.21Å; K154-K158 PolarHBondContact O-N 3.21Å; K154-K158 VanDerWaalsContact O-N 3.09Å; K155-K158 PolarHBondContact O-N 3.44Å; K156-K158 PolarHBondContact O-N 3.4Å; K158-K161 PolarHBondContact O-N 2.76Å; K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.39Å
159A95.2Very high89.7Confident58 Ų58120.5 Ų120.548%0.47958%0.577SS.*Hα-helixtrans-64.2-45.1177.400000112.1K155 K156 C157 K161 R162 L163K155-A159 WeakPolarHBondContact O-CB 3.38Å; K155-A159 PolarHBondContact O-N 3.38Å; K156-A159 PolarHBondContact O-N 3.05Å; C157-A159 VanDerWaalsContact C-N 3.34Å; C157-A159 PolarHBondContact O-N 3.46Å; A159-K161 VanDerWaalsContact C-N 3.34Å; A159-K161 PolarHBondContact O-N 3.13Å; A159-R162 PolarHBondContact O-N 2.99Å; A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.35Å
160I93.9Very high91.4Very high82 Ų82119 Ų11942%0.42157%0.568SS.*Hα-helixtrans-61.5-43.5175.3-67166.3000110.6K156 C157 L163 N164K156-I160 HydrophobicContact CG-CD1 4.03Å; K156-I160 WeakPolarHBondContact O-CG1 3.18Å; K156-I160 PolarHBondContact O-N 2.8Å; C157-I160 PolarHBondContact O-N 2.76Å; I160-L163 PolarHBondContact O-N 3.3Å; I160-N164 PolarHBondContact O-N 3.02Å; I160-N164 PolarHBondContact O-ND2 2.93Å
161K95.8Very high92.7Very high138 Ų138121.9 Ų121.960%0.657%0.565SS**Hα-helixtrans-58.6-51.9176.5-174.8177.7177.6-178.70111.5C157 K158 A159 L163 N164 D165C157-K161 WeakPolarHBondContact O-CB 3.41Å; C157-K161 PolarHBondContact O-N 2.96Å; K158-K161 PolarHBondContact O-N 2.76Å; A159-K161 VanDerWaalsContact C-N 3.34Å; A159-K161 PolarHBondContact O-N 3.13Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.14Å; K161-N164 WeakPolarHBondContact O-CB 3.31Å; K161-N164 PolarHBondContact O-N 3.32Å; K161-N164 VanDerWaalsContact O-N 3.09Å; K161-D165 VanDerWaalsContact O-CG 3.23Å; K161-D165 PolarHBondContact O-N 2.77Å
162R96.6Very high93.6Very high188 Ų188119.2 Ų119.271%0.70956%0.559SS**Hα-helixtrans-57.2-40.8177.1-72.4174.1-179.9176.4-2.6112.6K158 A159 D165 K166K158-R162 WeakPolarHBondContact O-CG 3.48Å; K158-R162 PolarHBondContact O-N 3.39Å; A159-R162 PolarHBondContact O-N 2.99Å; R162-D165 PolarHBondContact O-N 2.99Å; R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 PolarHBondContact O-N 2.94Å
163L96.4Very high94.1Very high86 Ų86121 Ų12145%0.4556%0.561SS.*Hα-helixtrans-64-42.5177-179.363.9000111.6A159 I160 K161 R167A159-L163 WeakPolarHBondContact O-CB 3.3Å; A159-L163 PolarHBondContact O-N 3.35Å; I160-L163 PolarHBondContact O-N 3.3Å; K161-L163 VanDerWaalsContact C-N 3.29Å; K161-L163 PolarHBondContact O-N 3.14Å; L163-R167 WeakPolarHBondContact O-CG 3.32Å; L163-R167 PolarHBondContact O-N 3.42Å
164N96.3Very high94.2Very high71 Ų71119.5 Ų119.538%0.3855%0.554SS.*Hα-helixtrans-66.5-42.1177.1-72.7-21.2000111.8I160 K161 R167 K168I160-N164 PolarHBondContact O-N 3.02Å; I160-N164 PolarHBondContact O-ND2 2.93Å; K161-N164 WeakPolarHBondContact O-CB 3.31Å; K161-N164 PolarHBondContact O-N 3.32Å; K161-N164 VanDerWaalsContact O-N 3.09Å; N164-R167 PolarHBondContact O-N 3.22Å; N164-K168 WeakPolarHBondContact O-CG 3.29Å; N164-K168 PolarHBondContact O-N 3.21Å
165D97Very high93.9Very high72 Ų72115.6 Ų115.639%0.38555%0.545SS..Hα-helixtrans-61.6-46.1176.9-63.9-21.8000110.4K161 R162 R167 K168 E169K161-D165 VanDerWaalsContact O-CG 3.23Å; K161-D165 PolarHBondContact O-N 2.77Å; R162-D165 PolarHBondContact O-N 2.99Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 3.45Å; D165-K168 WeakPolarHBondContact O-CB 3.44Å; D165-K168 PolarHBondContact O-N 2.95Å; D165-K168 VanDerWaalsContact O-N 3.1Å; D165-E169 PolarHBondContact O-N 3.21Å
166K97.2Very high93.5Very high123 Ų123113 Ų11354%0.53554%0.535SS..Hα-helixtrans-59.5-37.5174.3-172.6174.9-172.8172.20113R162 K170R162-K166 WeakPolarHBondContact O-CB 3.38Å; R162-K166 PolarHBondContact O-N 2.94Å; K166-K170 WeakPolarHBondContact O-CG 3.38Å; K166-K170 PolarHBondContact O-N 3Å; K166-K170 VanDerWaalsContact O-N 3.09Å
167R97.1Very high92.9Very high145 Ų145112 Ų11255%0.54753%0.531SS..Hα-helixtrans-67.9-39.5175.7-76.2175.7177.1-175.6-1.4111.7L163 N164 D165 R171L163-R167 WeakPolarHBondContact O-CG 3.32Å; L163-R167 PolarHBondContact O-N 3.42Å; N164-R167 PolarHBondContact O-N 3.22Å; D165-R167 VanDerWaalsContact C-N 3.3Å; D165-R167 PolarHBondContact O-N 3.45Å; R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.48Å; R167-R171 VanDerWaalsContact O-N 3.13Å
168K96Very high92.3Very high132 Ų132118.5 Ų118.557%0.57455%0.547SS*.Hα-helixtrans-65.1-47.7176.2-72.8176.4177.4-177.50111.2N164 D165 K170 R171 L172N164-K168 WeakPolarHBondContact O-CG 3.29Å; N164-K168 PolarHBondContact O-N 3.21Å; D165-K168 WeakPolarHBondContact O-CB 3.44Å; D165-K168 PolarHBondContact O-N 2.95Å; D165-K168 VanDerWaalsContact O-N 3.1Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.49Å; K168-R171 WeakPolarHBondContact O-CB 3.42Å; K168-R171 PolarHBondContact O-N 3.1Å; K168-L172 WeakPolarHBondContact O-CG 3.42Å; K168-L172 PolarHBondContact O-N 3.11Å
169E96Very high91.4Very high133 Ų133118.4 Ų118.462%0.62155%0.552SS**Hα-helixtrans-56.5-47.1176.5-174.3-176.3-173.400111.7D165 R171 L172 H173D165-E169 PolarHBondContact O-N 3.21Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.99Å; E169-L172 PolarHBondContact O-N 3.34Å; E169-H173 WeakPolarHBondContact O-CB 3.35Å; E169-H173 PolarHBondContact O-N 3.01Å
170K94.5Very high90.6Very high139 Ų139119.9 Ų119.960%0.60456%0.556SS**Hα-helixtrans-59.5-37.2174.6-77.5-174.3174.2-163.70113.5K166 K168 A174K166-K170 WeakPolarHBondContact O-CG 3.38Å; K166-K170 PolarHBondContact O-N 3Å; K166-K170 VanDerWaalsContact O-N 3.09Å; K168-K170 VanDerWaalsContact C-N 3.35Å; K168-K170 PolarHBondContact O-N 3.49Å; K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.03Å
171R93.6Very high89.9Confident185 Ų185118 Ų11870%0.69856%0.557SS**Hα-helixtrans-69-45.4176.9-75.1175.6179.3-176.1-1.8111R167 K168 E169 A174 V175R167-R171 WeakPolarHBondContact O-CG 3.35Å; R167-R171 PolarHBondContact O-N 3.48Å; R167-R171 VanDerWaalsContact O-N 3.13Å; K168-R171 WeakPolarHBondContact O-CB 3.42Å; K168-R171 PolarHBondContact O-N 3.1Å; E169-R171 VanDerWaalsContact C-N 3.29Å; E169-R171 PolarHBondContact O-N 2.99Å; R171-A174 PolarHBondContact O-N 3.41Å; R171-V175 WeakPolarHBondContact O-CG2 3.41Å; R171-V175 PolarHBondContact O-N 3.27Å
172L92.4Very high89.2Confident124 Ų124118 Ų11865%0.64956%0.557SS**Hα-helixtrans-60.8-48.3176.6-69.6175.6000111K168 E169 A174 V175 E176K168-L172 WeakPolarHBondContact O-CG 3.42Å; K168-L172 PolarHBondContact O-N 3.11Å; E169-L172 PolarHBondContact O-N 3.34Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.02Å; L172-V175 PolarHBondContact O-N 3.32Å; L172-V175 VanDerWaalsContact O-N 3.09Å; L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.84Å
173H88.8Confident88.4Confident103 Ų103112.7 Ų112.748%0.47754%0.54SS..Hα-helixtrans-60.8-37.2175.7-179.3-86.8000112.4E169 V175 K177E169-H173 WeakPolarHBondContact O-CB 3.35Å; E169-H173 PolarHBondContact O-N 3.01Å; H173-V175 VanDerWaalsContact C-N 3.34Å; H173-K177 VanDerWaalsContact CE1-CG 3.48Å; H173-K177 WeakPolarHBondContact CE1-CG 3.13Å; H173-K177 VanDerWaalsContact O-CB 3.26Å; H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 VanDerWaalsContact O-CG 3.27Å; H173-K177 WeakPolarHBondContact O-CG 3.46Å; H173-K177 PolarHBondContact O-N 2.99Å
174A87.3Confident87.7Confident46 Ų46112.2 Ų112.238%0.3854%0.536SS..Hα-helixtrans-70.1-29.6176.100000113.3K170 R171 L172 R178K170-A174 VanDerWaalsContact O-CB 3.25Å; K170-A174 WeakPolarHBondContact O-CB 3.49Å; K170-A174 PolarHBondContact O-N 3.03Å; R171-A174 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.02Å; A174-R178 WeakPolarHBondContact O-CB 3.44Å; A174-R178 WeakPolarHBondContact O-CG 3.35Å
175V87Confident87.3Confident99 Ų99110.6 Ų110.660%0.653%0.527SS*.Hα-helixtrans-74.6-45.2173.1170.90000110.2R171 L172 H173 K177 R178 L179R171-V175 WeakPolarHBondContact O-CG2 3.41Å; R171-V175 PolarHBondContact O-N 3.27Å; L172-V175 PolarHBondContact O-N 3.32Å; L172-V175 VanDerWaalsContact O-N 3.09Å; H173-V175 VanDerWaalsContact C-N 3.34Å; V175-K177 PolarHBondContact O-N 3.3Å; V175-R178 CarbonylContact O-C 3.44Å; V175-R178 PolarHBondContact O-N 3.43Å; V175-L179 PolarHBondContact O-N 3.03Å
176E85.1Confident86.8Confident120 Ų120111.4 Ų111.456%0.56153%0.528SS*.Hα-helixtrans-57.7-47.1175.1-172.9179.6-170.900111L172 R178 L179L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 2.84Å; E176-R178 PolarHBondContact O-N 3.05Å; E176-L179 HydrophobicContact CG-CD1 4.12Å; E176-L179 VanDerWaalsContact O-CD1 3.22Å; E176-L179 WeakPolarHBondContact O-CD1 3.48Å; E176-L179 VanDerWaalsContact O-CG 3.25Å; E176-L179 WeakPolarHBondContact O-CG 3.49Å; E176-L179 PolarHBondContact O-N 3.23Å
177K79.8Confident86.1Confident112 Ų112110.1 Ų110.149%0.48753%0.527SS..THydrogen-bonded Turntrans-70.17.1173.7-70-65.4-174.3-171.90115.5H173 V175 E183H173-K177 VanDerWaalsContact CE1-CG 3.48Å; H173-K177 WeakPolarHBondContact CE1-CG 3.13Å; H173-K177 VanDerWaalsContact O-CB 3.26Å; H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 VanDerWaalsContact O-CG 3.27Å; H173-K177 WeakPolarHBondContact O-CG 3.46Å; H173-K177 PolarHBondContact O-N 2.99Å; V175-K177 PolarHBondContact O-N 3.3Å; K177-E183 VanDerWaalsContact CA-CD 3.46Å; K177-E183 WeakPolarHBondContact CA-OE1 3.41Å; K177-E183 WeakPolarHBondContact CA-OE2 3.44Å; K177-E183 VanDerWaalsContact CD-OE2 3.26Å; K177-E183 WeakPolarHBondContact CD-OE2 3.47Å; K177-E183 VanDerWaalsContact O-OE1 3.09Å
178R77Confident85.4Confident194 Ų194111.4 Ų111.473%0.73254%0.537SS*.THydrogen-bonded Turntrans-133.719.1175.6-69.4-176.4178.6-175-1.7111.4A174 V175 E176 T180 G181 E183A174-R178 WeakPolarHBondContact O-CB 3.44Å; A174-R178 WeakPolarHBondContact O-CG 3.35Å; V175-R178 CarbonylContact O-C 3.44Å; V175-R178 PolarHBondContact O-N 3.43Å; E176-R178 PolarHBondContact O-N 3.05Å; R178-T180 VanDerWaalsContact C-N 3.27Å; R178-T180 PolarHBondContact O-N 3.17Å; R178-G181 PolarHBondContact O-N 3.45Å; R178-G181 VanDerWaalsContact O-N 3.15Å; R178-E183 PolarHBondContact N-OE1 3.06Å
179L75.7Confident84.8Confident136 Ų136108.3 Ų108.371%0.71253%0.529SS*.SBendtrans-54.2-45.3-177.8-85.2160.2000111.8V175 E176V175-L179 PolarHBondContact O-N 3.03Å; E176-L179 HydrophobicContact CG-CD1 4.12Å; E176-L179 VanDerWaalsContact O-CD1 3.22Å; E176-L179 WeakPolarHBondContact O-CD1 3.48Å; E176-L179 VanDerWaalsContact O-CG 3.25Å; E176-L179 WeakPolarHBondContact O-CG 3.49Å; E176-L179 PolarHBondContact O-N 3.23Å
180T79.2Confident84.3Confident90 Ų90109.5 Ų109.555%0.55253%0.532SS*.SBendtrans-91.7-18.1179.658.90000113.1R178 F182R178-T180 VanDerWaalsContact C-N 3.27Å; R178-T180 PolarHBondContact O-N 3.17Å; T180-F182 WeakPolarHBondContact O-CD2 3.37Å; T180-F182 WeakPolarHBondContact O-CE2 3.49Å; T180-F182 PolarHBondContact O-N 3.41Å; T180-F182 VanDerWaalsContact O-N 3.08Å; T180-F182 PolarHBondContact OG1-N 3.37Å
181G79.4Confident84Confident43 Ų43111.8 Ų111.844%0.44354%0.542SS..SBendtrans72.1-17.3-168.500000114.8R178 H184R178-G181 PolarHBondContact O-N 3.45Å; R178-G181 VanDerWaalsContact O-N 3.15Å; G181-H184 PolarHBondContact O-CE1 3.5Å; G181-H184 PolarHBondContact O-ND1 3.26Å
182F81Confident83.7Confident138 Ų138109.8 Ų109.861%0.60555%0.546SS*.  trans-98.110.8-175.9-59.1-68.8000114.2T180 H184 L185T180-F182 WeakPolarHBondContact O-CD2 3.37Å; T180-F182 WeakPolarHBondContact O-CE2 3.49Å; T180-F182 PolarHBondContact O-N 3.41Å; T180-F182 VanDerWaalsContact O-N 3.08Å; T180-F182 PolarHBondContact OG1-N 3.37Å; F182-H184 PolarHBondContact O-N 3.14Å; F182-L185 HydrophobicContact CD1-CD1 3.84Å; F182-L185 WeakPolarHBondContact O-CA 3.36Å; F182-L185 WeakPolarHBondContact O-CB 3.29Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-L185 VanDerWaalsContact O-O 3.11Å
183E80.8Confident83.5Confident76 Ų76109.3 Ų109.336%0.35554%0.54SS..THydrogen-bonded Turntrans-63.2-15.5-178.7-63.6-168-159.700114.9K177 R178K177-E183 VanDerWaalsContact CA-CD 3.46Å; K177-E183 WeakPolarHBondContact CA-OE1 3.41Å; K177-E183 WeakPolarHBondContact CA-OE2 3.44Å; K177-E183 VanDerWaalsContact CD-OE2 3.26Å; K177-E183 WeakPolarHBondContact CD-OE2 3.47Å; K177-E183 VanDerWaalsContact O-OE1 3.09Å; R178-E183 PolarHBondContact N-OE1 3.06Å
184H81.5Confident83.4Confident75 Ų75110 Ų11035%0.34755%0.551SS.*THydrogen-bonded Turntrans-83.7-1.9172.863.8-78.1000112.7G181 F182 H201 L202 T203G181-H184 PolarHBondContact O-CE1 3.5Å; G181-H184 PolarHBondContact O-ND1 3.26Å; F182-H184 PolarHBondContact O-N 3.14Å; H184-H201 CarbonylContact O-C 3.57Å; H184-H201 WeakPolarHBondContact O-CA 3.45Å; H184-L202 PolarHBondContact O-N 3.01Å; H184-T203 HydrophobicContact CB-CG2 3.74Å
185L87.6Confident83.2Confident38 Ų38111.4 Ų111.420%0.19956%0.555CS.*EExtended strand (participates in β ladder)trans-115.4140.6177.3-57.8177.2000109F182 P199 V200 H201F182-L185 HydrophobicContact CD1-CD1 3.84Å; F182-L185 WeakPolarHBondContact O-CA 3.36Å; F182-L185 WeakPolarHBondContact O-CB 3.29Å; F182-L185 PolarHBondContact O-N 3.18Å; F182-L185 VanDerWaalsContact O-O 3.11Å; L185-P199 HydrophobicContact CB-CB 3.84Å; L185-P199 HydrophobicContact CD1-CB 4.22Å; L185-P199 HydrophobicContact CD1-CG 4.41Å; L185-P199 HydrophobicContact CD2-CB 4.32Å; L185-P199 HydrophobicContact CG-CB 4.35Å; L185-V200 CarbonylContact C-O 3.51Å; L185-V200 WeakPolarHBondContact CA-O 3.28Å; L185-H201 VanDerWaalsContact CD2-CD2 3.49Å; L185-H201 WeakPolarHBondContact CD2-CD2 3.45Å
186Q85.4Confident83.2Confident88 Ų88114.7 Ų114.741%0.41157%0.565SS.*EExtended strand (participates in β ladder)trans-118.9120.7173-176.417933.200109.7V200 L202Q186-V200 PolarHBondContact N-O 3.35Å; Q186-V200 PolarHBondContact O-N 2.99Å; Q186-L202 HydrophobicContact CB-CD1 4.05Å; Q186-L202 HydrophobicContact CB-CD2 3.71Å; Q186-L202 HydrophobicContact CB-CG 3.86Å
187D83.4Confident83.4Confident96 Ų96112.2 Ų112.251%0.51357%0.566SS.*  trans-102.9118.7172-77.7-28.7000110.4V189 P199D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 HydrophobicContact CB-CG2 4.09Å; D187-V189 PolarHBondContact O-N 3.33Å; D187-P199 WeakPolarHBondContact OD1-CA 3.36Å; D187-P199 WeakPolarHBondContact OD1-CB 3.45Å; D187-P199 WeakPolarHBondContact OD1-CG 3.33Å
188K82.7Confident83.8Confident173 Ų173112.2 Ų112.275%0.75258%0.577SS**  trans-94.962172.2-65.6-177.3-178.6178.50109.5
189V83.4Confident84.3Confident67 Ų67105.1 Ų105.141%0.40656%0.556SS.*  trans-106.5131.7-177.1-178.40000109.4D187 V195D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 HydrophobicContact CB-CG2 4.09Å; D187-V189 PolarHBondContact O-N 3.33Å; V189-V195 HydrophobicContact CB-CG2 4.1Å; V189-V195 HydrophobicContact CG1-CG2 3.48Å; V189-V195 VanDerWaalsContact CG1-CG2 3.48Å; V189-V195 HydrophobicContact CG2-CB 4.38Å; V189-V195 HydrophobicContact CG2-CG1 4.09Å; V189-V195 HydrophobicContact CG2-CG2 3.41Å; V189-V195 VanDerWaalsContact CG2-CG2 3.41Å
190K85.8Confident85Confident158 Ų158102.8 Ų102.869%0.68755%0.547SS*.  trans-90.2152.6170.4-66.3177.8-179175.20110.2N192 E193K190-N192 PolarHBondContact O-N 3.4Å; K190-E193 HydrophobicContact CB-CB 4.39Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.04Å; K190-E193 VanDerWaalsContact O-N 3.12Å
191F87.4Confident85.4Confident186 Ų186104.8 Ų104.882%0.81655%0.55SS**THydrogen-bonded Turntrans-57.1132.1174.6-172.6-103.1000109.9
192N86.9Confident85.7Confident144 Ų144107.5 Ų107.577%0.7755%0.554SS**THydrogen-bonded Turntrans69.215-175-59.2-17.2000117.1K190K190-N192 PolarHBondContact O-N 3.4Å
193E88.6Confident85.9Confident113 Ų113105 Ų10553%0.52855%0.55SS..  trans-94.5136.9171.5-168.5175.1177.200111.1K190 V195K190-E193 HydrophobicContact CB-CB 4.39Å; K190-E193 WeakPolarHBondContact O-CB 3.37Å; K190-E193 PolarHBondContact O-N 3.04Å; K190-E193 VanDerWaalsContact O-N 3.12Å; E193-V195 PolarHBondContact O-N 2.9Å
194V87.4Confident86Confident117 Ų117110.5 Ų110.571%0.70957%0.573SS**  trans-81.7115.7175.1-178.60000108.8M196V194-M196 HydrophobicContact CG1-CE 4.18Å; V194-M196 PolarHBondContact O-N 3.04Å
195V83.2Confident86Confident76 Ų76112.8 Ų112.846%0.46159%0.594SS.*  trans-73.6119.7-177.8-171.70000110.5V189 E193 A197V189-V195 HydrophobicContact CB-CG2 4.1Å; V189-V195 HydrophobicContact CG1-CG2 3.48Å; V189-V195 VanDerWaalsContact CG1-CG2 3.48Å; V189-V195 HydrophobicContact CG2-CB 4.38Å; V189-V195 HydrophobicContact CG2-CG1 4.09Å; V189-V195 HydrophobicContact CG2-CG2 3.41Å; V189-V195 VanDerWaalsContact CG2-CG2 3.41Å; E193-V195 PolarHBondContact O-N 2.9Å; V195-A197 VanDerWaalsContact CG1-O 3.26Å; V195-A197 WeakPolarHBondContact CG1-O 3.47Å
196M87.1Confident85.7Confident168 Ų168119.9 Ų119.983%0.82862%0.624SS**  trans-105.4-20.8179.2-61.6-80.563.800114.6V194V194-M196 HydrophobicContact CG1-CE 4.18Å; V194-M196 PolarHBondContact O-N 3.04Å
197A87.6Confident85.3Confident68 Ų68122.3 Ų122.356%0.56264%0.636SS**SBendtrans-112.1148-179.100000110.8V195V195-A197 VanDerWaalsContact CG1-O 3.26Å; V195-A197 WeakPolarHBondContact CG1-O 3.47Å
198P87.8Confident84.8Confident113 Ų113123.8 Ų123.873%0.73465%0.649SS**PPolyproline II helixtrans-67.5158.1175.329-34.8000111.9
199P88.7Confident84Confident44 Ų44123.3 Ų123.329%0.28665%0.647SS.*PPolyproline II helixtrans-53.1145.1174.3-2226.9000113.6L185 D187L185-P199 HydrophobicContact CB-CB 3.84Å; L185-P199 HydrophobicContact CD1-CB 4.22Å; L185-P199 HydrophobicContact CD1-CG 4.41Å; L185-P199 HydrophobicContact CD2-CB 4.32Å; L185-P199 HydrophobicContact CG-CB 4.35Å; D187-P199 WeakPolarHBondContact OD1-CA 3.36Å; D187-P199 WeakPolarHBondContact OD1-CB 3.45Å; D187-P199 WeakPolarHBondContact OD1-CG 3.33Å
200V89.9Confident83.1Confident87 Ų87129.5 Ų129.553%0.52767%0.668SS.*EExtended strand (participates in β ladder)trans-83.1127.9177.8-179.20000110.1L185 Q186 L202L185-V200 CarbonylContact C-O 3.51Å; L185-V200 WeakPolarHBondContact CA-O 3.28Å; Q186-V200 PolarHBondContact N-O 3.35Å; Q186-V200 PolarHBondContact O-N 2.99Å; V200-L202 PolarHBondContact O-N 3.12Å
201H87.9Confident81.7Confident132 Ų132130 Ų13061%0.61167%0.671SS**EExtended strand (participates in β ladder)trans-71.7119.7174.3-67.282.4000111.1H184 L185H184-H201 CarbonylContact O-C 3.57Å; H184-H201 WeakPolarHBondContact O-CA 3.45Å; L185-H201 VanDerWaalsContact CD2-CD2 3.49Å; L185-H201 WeakPolarHBondContact CD2-CD2 3.45Å
202L85.9Confident80.4Confident100 Ų100128.4 Ų128.452%0.52466%0.663SS.*  trans-80.1-26.4175.6-65.4-178.8000112.9H184 Q186 V200H184-L202 PolarHBondContact O-N 3.01Å; Q186-L202 HydrophobicContact CB-CD1 4.05Å; Q186-L202 HydrophobicContact CB-CD2 3.71Å; Q186-L202 HydrophobicContact CB-CG 3.86Å; V200-L202 PolarHBondContact O-N 3.12Å
203T85Confident79Confident85 Ų85128.1 Ų128.152%0.52166%0.661SS.*SBendtrans-94.6135.6-175.457.60000112H184H184-T203 HydrophobicContact CB-CG2 3.74Å
204K82.9Confident77.8Confident193 Ų193128.7 Ų128.784%0.83967%0.668SS**PPolyproline II helixtrans-65.1142170.2-68-178.8179.6-179.70110.6K206K204-K206 PolarHBondContact O-N 3.12Å
205P82.1Confident76.5Confident122 Ų122130.5 Ų130.579%0.79267%0.669SS**PPolyproline II helixtrans-59.7138.9174.225.7-33.6000110.1M207P205-M207 PolarHBondContact O-N 2.9Å
206K80.9Confident75.5Confident188 Ų188129.4 Ų129.482%0.81766%0.662SS**PPolyproline II helixtrans-68.7119.9176.7-176.8176.6178-177.60108.8K204 V208K204-K206 PolarHBondContact O-N 3.12Å; K206-V208 PolarHBondContact O-N 3.47Å
207M77.1Confident74.5Confident138 Ų138126.8 Ų126.868%0.6865%0.647SS**  trans-64.5105.3165.4-71.2-108.8-60.500108.5P205 F209P205-M207 PolarHBondContact O-N 2.9Å; M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 4.19Å; M207-F209 HydrophobicContact CE-CD1 4.37Å; M207-F209 HydrophobicContact CE-CE1 3.64Å; M207-F209 HydrophobicContact CE-CE2 4.38Å; M207-F209 HydrophobicContact CE-CZ 3.64Å; M207-F209 PolarHBondContact O-N 3.02Å
208V73.3Confident73.9Confident128 Ų128127.4 Ų127.478%0.77665%0.647SS**  trans-75.688.5164.2-172.70000105.5K206 K210K206-V208 PolarHBondContact O-N 3.47Å; V208-K210 PolarHBondContact O-N 3.29Å
209F66.1Low72.9Confident162 Ų162127.1 Ų127.171%0.71164%0.639SS**  trans-54.1117.5163.6-69.1-79.9000106.3M207 K211M207-F209 HydrophobicContact CB-CD2 4.44Å; M207-F209 HydrophobicContact CB-CE2 4.19Å; M207-F209 HydrophobicContact CE-CD1 4.37Å; M207-F209 HydrophobicContact CE-CE1 3.64Å; M207-F209 HydrophobicContact CE-CE2 4.38Å; M207-F209 HydrophobicContact CE-CZ 3.64Å; M207-F209 PolarHBondContact O-N 3.02Å; F209-K211 PolarHBondContact O-N 3.45Å
210K62.7Low72.1Confident197 Ų197129.3 Ų129.386%0.85765%0.649SS**  trans-51.4111.1157.9-68.8-177.9179.1-177.70103.8V208 K212V208-K210 PolarHBondContact O-N 3.29Å; K210-K212 PolarHBondContact O-N 3.28Å
211K58.2Low71.2Confident170 Ų170129.4 Ų129.474%0.73964%0.642SS**  trans-47.8126172.8-79.7-178.3174.6-179.10105.5F209 L213F209-K211 PolarHBondContact O-N 3.45Å; K211-L213 PolarHBondContact O-N 2.89Å; K211-L213 VanDerWaalsContact O-N 3.14Å
212K58.5Low70.3Confident151 Ų151129 Ų12966%0.65764%0.643SS**  trans-51.8129.4171.3-74.8-170.1175-171.90106K210 D214 Q215K210-K212 PolarHBondContact O-N 3.28Å; K212-D214 HydrophobicContact CB-CB 4.48Å; K212-D214 PolarHBondContact O-N 3.5Å; K212-Q215 PolarHBondContact O-N 3.03Å
213L59.1Low69.3Low138 Ų138131.4 Ų131.472%0.72366%0.656SS**G310 helixtrans-50.4-23.6178.7-127144.2000111.4K211 Q215 V216K211-L213 PolarHBondContact O-N 2.89Å; K211-L213 VanDerWaalsContact O-N 3.14Å; L213-Q215 PolarHBondContact O-N 3.09Å; L213-V216 WeakPolarHBondContact O-CG2 3.36Å; L213-V216 PolarHBondContact O-N 3.44Å
214D61.9Low68.3Low126 Ų126133.2 Ų133.267%0.67467%0.667SS**G310 helixtrans-69.8-22.2177.2-47.5-33.2000115K212K212-D214 HydrophobicContact CB-CB 4.48Å; K212-D214 PolarHBondContact O-N 3.5Å
215Q61.3Low66.9Low155 Ų155131.9 Ų131.972%0.72468%0.676SS**G310 helixtrans-89.8-0.4177.9-79.4-178-3.800113.7K212 L213 H217K212-Q215 PolarHBondContact O-N 3.03Å; L213-Q215 PolarHBondContact O-N 3.09Å; Q215-H217 PolarHBondContact O-N 3.39Å
216V61.1Low66.1Low52 Ų52132.4 Ų132.432%0.31567%0.67SS.*SBendtrans-70.6128.8172.7-1780000108.3L213 D220 K221L213-V216 WeakPolarHBondContact O-CG2 3.36Å; L213-V216 PolarHBondContact O-N 3.44Å; V216-D220 HydrophobicContact CG1-CB 3.65Å; V216-K221 HydrophobicContact CB-CG 4.28Å; V216-K221 HydrophobicContact CG1-CG 3.98Å; V216-K221 WeakPolarHBondContact O-CE 3.48Å
217H66.7Low65.4Low114 Ų114129.5 Ų129.553%0.52866%0.662SS.*  trans-56142.6179.7-166.5-80.7000109.8Q215 L219 D220 K221Q215-H217 PolarHBondContact O-N 3.39Å; H217-L219 PolarHBondContact ND1-N 3.31Å; H217-L219 PolarHBondContact O-N 3.48Å; H217-L219 VanDerWaalsContact O-N 3.15Å; H217-D220 PolarHBondContact O-N 3.13Å; H217-K221 PolarHBondContact O-N 3.01Å
218S74.6Confident64.7Low80 Ų80129 Ų12956%0.55966%0.661SS**Hα-helixtrans-54.7-37.6-176.151.90000112.8K221S218-K221 PolarHBondContact O-N 2.75Å
219L67.2Low64.2Low108 Ų108129.1 Ų129.157%0.56565%0.654SS**Hα-helixtrans-65.7-36.5176-62.1176.2000113.9H217 K221 L222H217-L219 PolarHBondContact ND1-N 3.31Å; H217-L219 PolarHBondContact O-N 3.48Å; H217-L219 VanDerWaalsContact O-N 3.15Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 2.99Å; L219-L222 PolarHBondContact O-N 2.95Å
220D71Confident64.1Low90 Ų90127 Ų12748%0.48165%0.651SS.*Hα-helixtrans-71.2-29178.7-70.3-16.1000111.1V216 H217 L222 L223V216-D220 HydrophobicContact CG1-CB 3.65Å; H217-D220 PolarHBondContact O-N 3.13Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.12Å; D220-L223 PolarHBondContact O-N 2.93Å
221K71.3Confident64.2Low89 Ų89122.3 Ų122.339%0.38764%0.637SS.*Hα-helixtrans-64.1-32.5175.6-66.6-177.4179.51800112.6V216 H217 S218 L219 L223 T224V216-K221 HydrophobicContact CB-CG 4.28Å; V216-K221 HydrophobicContact CG1-CG 3.98Å; V216-K221 WeakPolarHBondContact O-CE 3.48Å; H217-K221 PolarHBondContact O-N 3.01Å; S218-K221 PolarHBondContact O-N 2.75Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 2.99Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-T224 PolarHBondContact O-N 3.11Å; K221-T224 PolarHBondContact O-OG1 3.2Å
222L68.9Low64.6Low123 Ų123118.9 Ų118.964%0.64463%0.63SS**Hα-helixtrans-72.2-23.6179.9-93.6139.8000113.6L219 D220 T225L219-L222 PolarHBondContact O-N 2.95Å; D220-L222 VanDerWaalsContact C-N 3.28Å; D220-L222 PolarHBondContact O-N 3.12Å; L222-T225 PolarHBondContact O-OG1 2.91Å
223L65.6Low65.1Low151 Ų151116.5 Ų116.579%0.79163%0.628SS**Hα-helixtrans-85.5-17.8178.3-70.9170.3000112.8D220 K221D220-L223 PolarHBondContact O-N 2.93Å; K221-L223 VanDerWaalsContact C-N 3.34Å
224T64.5Low65.6Low122 Ų122114.7 Ų114.775%0.74862%0.62SS**  trans-89.2-6.9178.748.20000114.2K221K221-T224 PolarHBondContact O-N 3.11Å; K221-T224 PolarHBondContact O-OG1 3.2Å
225T53.1Low65.9Low166 Ų166113.6 Ų113.6100%1.01862%0.615SS**  trans-1060174.653.20000110.3L222L222-T225 PolarHBondContact O-OG1 2.91Å

Retrieved 225 of 225 residues in 65.2 ms (Link to these results)