A0A087WT18_HUMAN Loading...

Putative monooxygenase p33MONOX

Potential NADPH-dependent oxidoreductase. May be involved in the regulation of neuronal survival, differentiation and axonal outgrowth.

AlphaFold DB , UniProt , Accession A0A087WT18, Species HUMAN (Homo sapiens, Human), Gene KIAA1191, Length 224 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
1M36.3Very low41.7Very low235 Ų235134 Ų134100%1.15879%0.791SS**  0115.50-71-176.517000108
2T36.7Very low42.4Very low123 Ų123139.2 Ų139.276%0.75580%0.796SS**  trans10.9136.6132.946.60000117
3L39.2Very low43.1Very low166 Ų166136.8 Ų136.887%0.86979%0.785SS**  cis-158.5152.337.7-96.7125.3000112.8
4S39.8Very low44.1Very low107 Ų107134.6 Ų134.675%0.74878%0.778SS**  trans-70.5145.7160.3-179.40000111.2
5S42.3Very low45.2Very low105 Ų105134.8 Ų134.873%0.73478%0.782SS**  trans-139.796.2158.2-173.80000109.3
6A48.2Very low45.8Very low90 Ų90132.3 Ų132.374%0.74477%0.769SS**  trans-66.9121.5156.200000107.8
7I48.7Very low46.2Very low156 Ų156134.6 Ų134.680%0.877%0.768SS**  trans-102.691.3160.559.5147.5000108.6S9I7-S9 PolarHBondContact O-N 2.88Å; I7-S9 VanDerWaalsContact O-N 3.11Å
8D36.6Very low46.9Very low138 Ų138131.4 Ų131.474%0.73876%0.761SS**  trans-18.8100.2148.4-145.1-4.5000112.7V10D8-V10 HydrophobicContact CB-CG2 4.22Å; D8-V10 PolarHBondContact O-N 2.95Å
9S46.3Very low47.4Very low116 Ų116134.2 Ų134.281%0.81176%0.762SS**  trans-79.773.1166.867.90000107.8I7 D11I7-S9 PolarHBondContact O-N 2.88Å; I7-S9 VanDerWaalsContact O-N 3.11Å; S9-D11 PolarHBondContact O-N 3.22Å; S9-D11 VanDerWaalsContact O-N 3.1Å
10V41.5Very low48Very low100 Ų100129.9 Ų129.961%0.60674%0.744SS**  trans-58.3115.5171.7173.10000108D8 K12D8-V10 HydrophobicContact CB-CG2 4.22Å; D8-V10 PolarHBondContact O-N 2.95Å; V10-K12 PolarHBondContact O-N 3.1Å
11D42.8Very low48.8Very low138 Ų138127 Ų12774%0.73873%0.729SS**  trans-36.8104.6167.2-1593.4000110.4S9 V13S9-D11 PolarHBondContact O-N 3.22Å; S9-D11 VanDerWaalsContact O-N 3.1Å; D11-V13 PolarHBondContact O-N 3.11Å
12K50.2Low50.2Low196 Ų196121.5 Ų121.585%0.85270%0.7SS**  trans-76.584.1176.9-71.2-171.4-178.5-169.70107.8V10 P14V10-K12 PolarHBondContact O-N 3.1Å; K12-P14 WeakPolarHBondContact O-CD 3.25Å
13V51.7Low52Low108 Ų108120.3 Ų120.366%0.65569%0.693SS**  trans-53.1121166.3178.70000107.6D11 V15D11-V13 PolarHBondContact O-N 3.11Å; V13-V15 PolarHBondContact O-N 3.35Å
14P56.7Low53.8Low106 Ų106118 Ų11869%0.68868%0.68SS**  trans-66.4106.6179.824.7-30.7000108.5K12 V16K12-P14 WeakPolarHBondContact O-CD 3.25Å; P14-V16 HydrophobicContact CB-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.45Å
15V60.7Low55.5Low138 Ų138118.2 Ų118.284%0.83667%0.67SS**  trans-72.377.4168.7-176.90000107.3V13 K17V13-V15 PolarHBondContact O-N 3.35Å; V15-K17 PolarHBondContact O-N 3.3Å
16V55.5Low56.8Low94 Ų94116.7 Ų116.757%0.5765%0.654SS**  trans-70112.9172-1730000106.5P14 A18 A20P14-V16 HydrophobicContact CB-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.45Å; V16-A18 PolarHBondContact O-N 2.88Å; V16-A20 HydrophobicContact CG1-CB 4.32Å
17K52.4Low57.9Low173 Ų173115 Ų11575%0.75264%0.637SS**  trans-36.7123.9179.7-66.8177.4-173174.60110.8V15 K19 A20V15-K17 PolarHBondContact O-N 3.3Å; K17-K19 PolarHBondContact O-N 2.9Å; K17-A20 PolarHBondContact O-N 3.03Å
18A58.8Low59.2Low77 Ų77112.7 Ų112.764%0.63663%0.625SS**Hα-helixtrans-50.2-16.6-178.400000115.2V16 T21 H22V16-A18 PolarHBondContact O-N 2.88Å; A18-T21 WeakPolarHBondContact CA-OG1 3.42Å; A18-T21 PolarHBondContact O-OG1 3.05Å; A18-H22 PolarHBondContact O-N 2.97Å; A18-H22 VanDerWaalsContact O-N 3.1Å
19K57Low61Low183 Ų183110.4 Ų110.480%0.79661%0.612SS**Hα-helixtrans-68.3-30.9176.3-160.3167.3-178.3179.80113.2K17K17-K19 PolarHBondContact O-N 2.9Å
20A59Low62.2Low48 Ų48108.1 Ų108.140%0.39759%0.593SS.*Hα-helixtrans-79.9-36.8176.800000112.1V16 K17 V23 I24V16-A20 HydrophobicContact CG1-CB 4.32Å; K17-A20 PolarHBondContact O-N 3.03Å; A20-V23 PolarHBondContact O-N 3.23Å; A20-I24 WeakPolarHBondContact O-CD1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.48Å
21T63.8Low63.7Low69 Ų69109.5 Ų109.542%0.42359%0.591SS.*Hα-helixtrans-68.7-34.2176.155.40000111.9A18 V23 I24 M25A18-T21 WeakPolarHBondContact CA-OG1 3.42Å; A18-T21 PolarHBondContact O-OG1 3.05Å; T21-V23 PolarHBondContact O-N 3.31Å; T21-I24 PolarHBondContact O-N 3.04Å; T21-M25 VanDerWaalsContact O-CB 3.27Å; T21-M25 WeakPolarHBondContact O-CB 3.44Å; T21-M25 WeakPolarHBondContact O-CG 3.42Å; T21-M25 PolarHBondContact O-N 3.41Å
22H66Low65.1Low120 Ų120108.7 Ų108.756%0.55658%0.583SS**Hα-helixtrans-61-42.6175.6-174.864000112.9A18 N26A18-H22 PolarHBondContact O-N 2.97Å; A18-H22 VanDerWaalsContact O-N 3.1Å; H22-N26 WeakPolarHBondContact O-CB 3.25Å; H22-N26 PolarHBondContact O-N 3.09Å
23V74.8Confident66.4Low98 Ų98102.5 Ų102.559%0.59456%0.562SS**Hα-helixtrans-65.2-41.8178.11760000111.1A20 T21 S27A20-V23 PolarHBondContact O-N 3.23Å; T21-V23 PolarHBondContact O-N 3.31Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.45Å
24I77.7Confident67.6Low118 Ų118103 Ų10361%0.60556%0.557SS**Hα-helixtrans-66.9-46.2179.2-63.1165000110.6A20 T21 S27 L28A20-I24 WeakPolarHBondContact O-CD1 3.23Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 3.48Å; T21-I24 PolarHBondContact O-N 3.04Å; I24-S27 PolarHBondContact O-N 2.87Å; I24-L28 WeakPolarHBondContact O-CB 3.17Å; I24-L28 PolarHBondContact O-N 2.92Å
25M74.4Confident68.5Low111 Ų111103 Ų10355%0.54755%0.548SS..Hα-helixtrans-64.6-44.6178.1-72.1-78.7-67.600112T21 L28 I29T21-M25 VanDerWaalsContact O-CB 3.27Å; T21-M25 WeakPolarHBondContact O-CB 3.44Å; T21-M25 WeakPolarHBondContact O-CG 3.42Å; T21-M25 PolarHBondContact O-N 3.41Å; M25-L28 PolarHBondContact O-N 3.37Å; M25-I29 WeakPolarHBondContact O-CB 3.33Å; M25-I29 WeakPolarHBondContact O-CD1 3.42Å; M25-I29 WeakPolarHBondContact O-CG1 3.22Å; M25-I29 PolarHBondContact O-N 3.3Å
26N70Confident69.3Low73 Ų73100 Ų10039%0.3953%0.533SS..Hα-helixtrans-66.7-39.3178.6-162.1-37.8000110.7H22 I29 T30H22-N26 WeakPolarHBondContact O-CB 3.25Å; H22-N26 PolarHBondContact O-N 3.09Å; N26-I29 PolarHBondContact O-N 3.1Å; N26-T30 VanDerWaalsContact O-CB 3.3Å; N26-T30 WeakPolarHBondContact O-CB 3.17Å; N26-T30 VanDerWaalsContact O-CG2 3.25Å; N26-T30 WeakPolarHBondContact O-CG2 3.46Å; N26-T30 PolarHBondContact O-N 3.32Å; N26-T30 PolarHBondContact O-OG1 3.18Å; N26-T30 WeakPolarHBondContact OD1-CG2 3.36Å
27S71.4Confident70.4Confident54 Ų5499.2 Ų99.238%0.37852%0.524SS..Hα-helixtrans-62.4-41.7172.2-176.20000112.6V23 I24 T30 K31V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.45Å; I24-S27 PolarHBondContact O-N 2.87Å; S27-T30 WeakPolarHBondContact CA-OG1 3.31Å; S27-T30 PolarHBondContact O-OG1 3.31Å; S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 VanDerWaalsContact O-CG 3.28Å; S27-K31 WeakPolarHBondContact O-CG 3.06Å; S27-K31 PolarHBondContact O-N 3.03Å
28L76.6Confident71.7Confident108 Ų10894.6 Ų94.657%0.56551%0.506SS*.Hα-helixtrans-65.7-47.7176.7-176.863.6000111.8I24 M25 K31 Q32I24-L28 WeakPolarHBondContact O-CB 3.17Å; I24-L28 PolarHBondContact O-N 2.92Å; M25-L28 PolarHBondContact O-N 3.37Å; L28-K31 PolarHBondContact O-N 3.15Å; L28-Q32 WeakPolarHBondContact O-CB 3.28Å; L28-Q32 PolarHBondContact O-N 3.48Å
29I74.2Confident72.6Confident91 Ų9196.6 Ų96.647%0.46750%0.502SS..Hα-helixtrans-63.8-44.1179-66.5162.3000110.5M25 N26 T33M25-I29 WeakPolarHBondContact O-CB 3.33Å; M25-I29 WeakPolarHBondContact O-CD1 3.42Å; M25-I29 WeakPolarHBondContact O-CG1 3.22Å; M25-I29 PolarHBondContact O-N 3.3Å; N26-I29 PolarHBondContact O-N 3.1Å; I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 2.95Å; I29-T33 PolarHBondContact O-OG1 3.16Å
30T70.3Confident73.6Confident67 Ų6794.2 Ų94.241%0.41149%0.492SS..Hα-helixtrans-69.3-39.3-179.850.10000112.1N26 S27 T33 Q34N26-T30 VanDerWaalsContact O-CB 3.3Å; N26-T30 WeakPolarHBondContact O-CB 3.17Å; N26-T30 VanDerWaalsContact O-CG2 3.25Å; N26-T30 WeakPolarHBondContact O-CG2 3.46Å; N26-T30 PolarHBondContact O-N 3.32Å; N26-T30 PolarHBondContact O-OG1 3.18Å; N26-T30 WeakPolarHBondContact OD1-CG2 3.36Å; S27-T30 WeakPolarHBondContact CA-OG1 3.31Å; S27-T30 PolarHBondContact O-OG1 3.31Å; T30-T33 PolarHBondContact O-N 3.49Å; T30-Q34 WeakPolarHBondContact O-CB 3.28Å; T30-Q34 PolarHBondContact O-N 2.91Å
31K72.8Confident74.5Confident129 Ų12995.4 Ų95.456%0.56149%0.489SS*.Hα-helixtrans-62.6-51.2172.5-75.9-172.4175.8-1590111.5S27 L28 T33 Q34 E35S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 VanDerWaalsContact O-CG 3.28Å; S27-K31 WeakPolarHBondContact O-CG 3.06Å; S27-K31 PolarHBondContact O-N 3.03Å; L28-K31 PolarHBondContact O-N 3.15Å; K31-T33 PolarHBondContact O-N 3.25Å; K31-Q34 PolarHBondContact O-N 2.93Å; K31-Q34 VanDerWaalsContact O-N 3.15Å; K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 3.43Å
32Q74.1Confident75.3Confident122 Ų12298.1 Ų98.157%0.5749%0.491SS*.Hα-helixtrans-56.7-38.5176.5-171.3179.2200112.4L28 E35 S36L28-Q32 WeakPolarHBondContact O-CB 3.28Å; L28-Q32 PolarHBondContact O-N 3.48Å; Q32-E35 VanDerWaalsContact CA-OE1 3.25Å; Q32-E35 WeakPolarHBondContact CA-OE1 3.44Å; Q32-S36 WeakPolarHBondContact O-CB 3.28Å; Q32-S36 PolarHBondContact O-N 3.34Å; Q32-S36 VanDerWaalsContact O-N 3.17Å
33T76.5Confident75.8Confident65 Ų65100.7 Ų100.740%0.39950%0.503SS..Hα-helixtrans-76.6-39.3179-58.20000111.5I29 T30 K31 S36 I37I29-T33 WeakPolarHBondContact O-CB 3.5Å; I29-T33 PolarHBondContact O-N 2.95Å; I29-T33 PolarHBondContact O-OG1 3.16Å; T30-T33 PolarHBondContact O-N 3.49Å; K31-T33 PolarHBondContact O-N 3.25Å; T33-S36 PolarHBondContact O-N 2.82Å; T33-I37 HydrophobicContact CG2-CD1 3.52Å; T33-I37 HydrophobicContact CG2-CG1 4.08Å; T33-I37 WeakPolarHBondContact O-CB 3.47Å; T33-I37 WeakPolarHBondContact O-CG1 3.09Å; T33-I37 PolarHBondContact O-N 3.18Å
34Q77.4Confident75.5Confident120 Ų12099 Ų9956%0.56150%0.5SS*.Hα-helixtrans-67.7-41.8-177.7-178.1170.69.500111.8T30 K31 Q38T30-Q34 WeakPolarHBondContact O-CB 3.28Å; T30-Q34 PolarHBondContact O-N 2.91Å; K31-Q34 PolarHBondContact O-N 2.93Å; K31-Q34 VanDerWaalsContact O-N 3.15Å; Q34-Q38 VanDerWaalsContact O-CG 3.25Å; Q34-Q38 WeakPolarHBondContact O-CG 3.4Å; Q34-Q38 PolarHBondContact O-N 3.3Å
35E75.1Confident75.1Confident106 Ų10696.3 Ų96.350%0.49550%0.502SS..Hα-helixtrans-71.1-40173.562-141.7-176.400111.7K31 Q32 I37 Q38 H39K31-E35 WeakPolarHBondContact O-CG 3.27Å; K31-E35 PolarHBondContact O-N 3.43Å; Q32-E35 VanDerWaalsContact CA-OE1 3.25Å; Q32-E35 WeakPolarHBondContact CA-OE1 3.44Å; E35-I37 PolarHBondContact O-N 2.86Å; E35-Q38 PolarHBondContact O-N 3.33Å; E35-H39 WeakPolarHBondContact O-CB 3.32Å; E35-H39 PolarHBondContact O-CD2 3.17Å; E35-H39 PolarHBondContact O-N 2.86Å
36S78.1Confident74.9Confident73 Ų7396.7 Ų96.751%0.5151%0.505SS..Hα-helixtrans-60.2-45.6175.1-179.70000112.9Q32 T33 H39 F40Q32-S36 WeakPolarHBondContact O-CB 3.28Å; Q32-S36 PolarHBondContact O-N 3.34Å; Q32-S36 VanDerWaalsContact O-N 3.17Å; T33-S36 PolarHBondContact O-N 2.82Å; S36-H39 PolarHBondContact O-N 3.21Å; S36-F40 WeakPolarHBondContact O-CB 3.44Å; S36-F40 PolarHBondContact O-N 3.37Å
37I78.1Confident74.9Confident78 Ų7899.6 Ų99.640%0.451%0.511SS..Hα-helixtrans-62.8-45.6177-71.3169.9000110.2T33 E35 H39 F40 E41T33-I37 HydrophobicContact CG2-CD1 3.52Å; T33-I37 HydrophobicContact CG2-CG1 4.08Å; T33-I37 WeakPolarHBondContact O-CB 3.47Å; T33-I37 WeakPolarHBondContact O-CG1 3.09Å; T33-I37 PolarHBondContact O-N 3.18Å; E35-I37 PolarHBondContact O-N 2.86Å; I37-H39 VanDerWaalsContact C-N 3.3Å; I37-H39 PolarHBondContact O-N 2.82Å; I37-F40 WeakPolarHBondContact O-CB 3.34Å; I37-F40 PolarHBondContact O-N 3.47Å; I37-E41 HydrophobicContact CG2-CG 4.27Å; I37-E41 WeakPolarHBondContact CG2-OE1 3.3Å; I37-E41 WeakPolarHBondContact O-CB 3.36Å; I37-E41 VanDerWaalsContact O-CG 3.28Å; I37-E41 WeakPolarHBondContact O-CG 3.25Å; I37-E41 PolarHBondContact O-N 3.37Å
38Q79.5Confident74.2Confident76 Ų76105.3 Ų105.336%0.35554%0.537SS..Hα-helixtrans-64.4-35.1178.5-73.7177.639.500112.8Q34 E35 R42Q34-Q38 VanDerWaalsContact O-CG 3.25Å; Q34-Q38 WeakPolarHBondContact O-CG 3.4Å; Q34-Q38 PolarHBondContact O-N 3.3Å; E35-Q38 PolarHBondContact O-N 3.33Å; Q38-R42 VanDerWaalsContact O-CG 3.23Å; Q38-R42 WeakPolarHBondContact O-CG 3.11Å; Q38-R42 PolarHBondContact O-N 2.9Å; Q38-R42 VanDerWaalsContact O-N 3.1Å
39H78Confident73.3Confident120 Ų120104.2 Ų104.256%0.55654%0.544SS*.Hα-helixtrans-69.6-41.8173.4-81.2-68.8000111.7E35 S36 I37 R42 Q43E35-H39 WeakPolarHBondContact O-CB 3.32Å; E35-H39 PolarHBondContact O-CD2 3.17Å; E35-H39 PolarHBondContact O-N 2.86Å; S36-H39 PolarHBondContact O-N 3.21Å; I37-H39 VanDerWaalsContact C-N 3.3Å; I37-H39 PolarHBondContact O-N 2.82Å; H39-R42 PolarHBondContact O-N 2.93Å; H39-Q43 VanDerWaalsContact O-CB 3.31Å; H39-Q43 WeakPolarHBondContact O-CB 3.14Å; H39-Q43 PolarHBondContact O-N 3.4Å
40F78.1Confident72.7Confident133 Ų133102.7 Ų102.758%0.58355%0.55SS**Hα-helixtrans-60.5-45.8174.4173.8-99.5000111.6S36 I37 R42 Q43 A44S36-F40 WeakPolarHBondContact O-CB 3.44Å; S36-F40 PolarHBondContact O-N 3.37Å; I37-F40 WeakPolarHBondContact O-CB 3.34Å; I37-F40 PolarHBondContact O-N 3.47Å; F40-R42 PolarHBondContact O-N 2.91Å; F40-Q43 PolarHBondContact O-N 3.48Å; F40-A44 HydrophobicContact CZ-CB 4.5Å; F40-A44 WeakPolarHBondContact O-CB 3.27Å; F40-A44 PolarHBondContact O-N 3.41Å
41E78.7Confident71.8Confident73 Ų73105.5 Ų105.534%0.34155%0.554SS.*Hα-helixtrans-60.6-43175.9-74.3171.817400111.9I37 G45 L46I37-E41 HydrophobicContact CG2-CG 4.27Å; I37-E41 WeakPolarHBondContact CG2-OE1 3.3Å; I37-E41 WeakPolarHBondContact O-CB 3.36Å; I37-E41 VanDerWaalsContact O-CG 3.28Å; I37-E41 WeakPolarHBondContact O-CG 3.25Å; I37-E41 PolarHBondContact O-N 3.37Å; E41-G45 PolarHBondContact O-N 2.82Å; E41-L46 CarbonylContact O-C 3.58Å; E41-L46 PolarHBondContact O-N 3.04Å
42R80.3Confident71.3Confident126 Ų126105 Ų10548%0.47556%0.562SS.*Hα-helixtrans-63.7-42.6174.6-73.6174.5-161.1-155.55.8111.9Q38 H39 F40 G45 R47Q38-R42 VanDerWaalsContact O-CG 3.23Å; Q38-R42 WeakPolarHBondContact O-CG 3.11Å; Q38-R42 PolarHBondContact O-N 2.9Å; Q38-R42 VanDerWaalsContact O-N 3.1Å; H39-R42 PolarHBondContact O-N 2.93Å; F40-R42 PolarHBondContact O-N 2.91Å; R42-G45 PolarHBondContact O-N 3.41Å; R42-R47 HydrophobicContact CG-CG 4.3Å; R42-R47 VanDerWaalsContact NE-CZ 3.29Å
43Q75.8Confident70.6Confident173 Ų173102.3 Ų102.381%0.80856%0.555SS**Hα-helixtrans-72.8-33.8-178.1-172.2172.47.200112.3H39 F40 G45H39-Q43 VanDerWaalsContact O-CB 3.31Å; H39-Q43 WeakPolarHBondContact O-CB 3.14Å; H39-Q43 PolarHBondContact O-N 3.4Å; F40-Q43 PolarHBondContact O-N 3.48Å; Q43-G45 PolarHBondContact O-N 2.89Å
44A69Low69.8Low62 Ų62105 Ų10551%0.51256%0.563SS.*THydrogen-bonded Turntrans-81.5-1.2175.600000113.1F40 L46F40-A44 HydrophobicContact CZ-CB 4.5Å; F40-A44 WeakPolarHBondContact O-CB 3.27Å; F40-A44 PolarHBondContact O-N 3.41Å; A44-L46 HydrophobicContact CB-CB 4.47Å; A44-L46 PolarHBondContact O-N 3.49Å
45G68.8Low69Low63 Ų63110.1 Ų110.165%0.64958%0.584SS**THydrogen-bonded Turntrans67.513.6-176.500000113.8E41 R42 Q43 R47E41-G45 PolarHBondContact O-N 2.82Å; R42-G45 PolarHBondContact O-N 3.41Å; Q43-G45 PolarHBondContact O-N 2.89Å; G45-R47 PolarHBondContact O-N 3.07Å; G45-R47 VanDerWaalsContact O-N 3.13Å
46L69.5Low68.2Low118 Ų118108.5 Ų108.562%0.61860%0.595SS**  trans-8851.6179.8-164.771.9000110.3E41 A44E41-L46 CarbonylContact O-C 3.58Å; E41-L46 PolarHBondContact O-N 3.04Å; A44-L46 HydrophobicContact CB-CB 4.47Å; A44-L46 PolarHBondContact O-N 3.49Å
47R70.4Confident67.1Low135 Ų135111.1 Ų111.151%0.50960%0.603SS.*SBendtrans-92.1156.3164.4-62.9-155.1106.6162.7-0.4109.1R42 G45 A49R42-R47 HydrophobicContact CG-CG 4.3Å; R42-R47 VanDerWaalsContact NE-CZ 3.29Å; G45-R47 PolarHBondContact O-N 3.07Å; G45-R47 VanDerWaalsContact O-N 3.13Å; R47-A49 PolarHBondContact O-N 3.36Å
48D57Low65.9Low173 Ų173108.6 Ų108.693%0.92559%0.591SS**SBendtrans-54.818.1176.5-160.130.7000115.6G50D48-G50 VanDerWaalsContact C-N 3.34Å; D48-G50 PolarHBondContact O-N 2.96Å
49A57.4Low64.7Low86 Ų86111.1 Ų111.171%0.71161%0.612SS**  trans-66.399.6163.500000107.4R47 Y51R47-A49 PolarHBondContact O-N 3.36Å; A49-Y51 PolarHBondContact O-N 2.82Å
50G61.2Low63.6Low59 Ų59111.8 Ų111.861%0.60862%0.615SS**  trans-38.6128.9168.300000110.6D48 T52D48-G50 VanDerWaalsContact C-N 3.34Å; D48-G50 PolarHBondContact O-N 2.96Å; G50-T52 PolarHBondContact O-N 2.94Å; G50-T52 PolarHBondContact O-OG1 3.27Å
51Y51.7Low62.5Low126 Ų126111 Ų11149%0.49461%0.613SS.*  trans-47.2110.2178.5-177.6-93.2000109.5A49 P53 T58A49-Y51 PolarHBondContact O-N 2.82Å; Y51-P53 HydrophobicContact CD1-CB 4.21Å; Y51-P53 HydrophobicContact CD1-CG 3.74Å; Y51-P53 HydrophobicContact CE1-CB 3.62Å; Y51-P53 HydrophobicContact CE1-CG 3.64Å; Y51-P53 VanDerWaalsContact O-CD 3.3Å; Y51-P53 WeakPolarHBondContact O-CD 3.45Å; Y51-T58 HydrophobicContact CE1-CG2 3.55Å; Y51-T58 WeakPolarHBondContact OH-CG2 3.19Å
52T61.8Low61.5Low119 Ų119110.9 Ų110.973%0.7362%0.618SS**  trans-94.8102.8171.2-53.40000106.5G50 H54G50-T52 PolarHBondContact O-N 2.94Å; G50-T52 PolarHBondContact O-OG1 3.27Å; T52-H54 PolarHBondContact O-N 3.37Å; T52-H54 VanDerWaalsContact O-N 3.1Å; T52-H54 PolarHBondContact O-ND1 2.96Å
53P59.3Low60.4Low64 Ų64109.9 Ų109.942%0.41662%0.617SS.*  trans-61.9119.4-175.8-13.726.2000109.1Y51Y51-P53 HydrophobicContact CD1-CB 4.21Å; Y51-P53 HydrophobicContact CD1-CG 3.74Å; Y51-P53 HydrophobicContact CE1-CB 3.62Å; Y51-P53 HydrophobicContact CE1-CG 3.64Å; Y51-P53 VanDerWaalsContact O-CD 3.3Å; Y51-P53 WeakPolarHBondContact O-CD 3.45Å
54H61Low59.7Low123 Ų123109.1 Ų109.157%0.56961%0.608SS**  trans-66.9135.3165.412.4-63.3000106.4T52 G56T52-H54 PolarHBondContact O-N 3.37Å; T52-H54 VanDerWaalsContact O-N 3.1Å; T52-H54 PolarHBondContact O-ND1 2.96Å; H54-G56 PolarHBondContact O-N 2.7Å
55K60.3Low59.3Low227 Ų227112.1 Ų112.199%0.98761%0.614SS**THydrogen-bonded Turntrans-60.729.6-156.2-62.9-165.6175.5-163.10118.1
56G59.3Low59Low72 Ų72118.4 Ų118.474%0.74262%0.619SS**THydrogen-bonded Turntrans-159.510.6-179.100000117.4H54H54-G56 PolarHBondContact O-N 2.7Å
57L53.5Low58.9Low128 Ų128117.6 Ų117.667%0.6762%0.618SS**SBendtrans-130.525.2-168.5-148.771.8000117.7
58T52.8Low58.7Low24 Ų24113.1 Ų113.115%0.14761%0.61CS.*  trans-144.841.8-179.557.10000117Y51 E60 T62Y51-T58 HydrophobicContact CE1-CG2 3.55Å; Y51-T58 WeakPolarHBondContact OH-CG2 3.19Å; T58-E60 PolarHBondContact O-N 3.13Å; T58-T62 WeakPolarHBondContact O-CG2 3.19Å; T58-T62 PolarHBondContact O-OG1 3.17Å
59T53.8Low59Low129 Ų129110.1 Ų110.179%0.79159%0.591SS**THydrogen-bonded Turntrans-72.2-18.6171.447.40000113.5
60E55.5Low59.5Low134 Ų134108.8 Ų108.863%0.62658%0.579SS**THydrogen-bonded Turntrans-107.6-17.3-175.233.7-170.7148.900115T58 K63 Y64T58-E60 PolarHBondContact O-N 3.13Å; E60-K63 WeakPolarHBondContact O-CE 3.4Å; E60-K63 VanDerWaalsContact O-CG 3.29Å; E60-K63 WeakPolarHBondContact O-CG 3.44Å; E60-Y64 WeakPolarHBondContact O-CD2 3.19Å
61E55.9Low59.8Low116 Ų116111.4 Ų111.454%0.54258%0.579SS.*THydrogen-bonded Turntrans-91.7-29176.7-63179.8146.900112.2K63 Y64 L65E61-K63 VanDerWaalsContact C-N 3.34Å; E61-K63 PolarHBondContact O-N 2.84Å; E61-Y64 PolarHBondContact O-N 3.23Å; E61-L65 PolarHBondContact O-N 2.81Å
62T57.6Low60.5Low72 Ų72110.8 Ų110.844%0.44258%0.58SS.*Hα-helixtrans-69.9-25.3-18047.30000114.1T58 R66T58-T62 WeakPolarHBondContact O-CG2 3.19Å; T58-T62 PolarHBondContact O-OG1 3.17Å; T62-R66 PolarHBondContact O-N 3.19Å
63K57.5Low60.5Low104 Ų104110.9 Ų110.945%0.45257%0.571SS.*Hα-helixtrans-65.9-39.3177.462.6-171-179-170.50112.1E60 E61 V67E60-K63 WeakPolarHBondContact O-CE 3.4Å; E60-K63 VanDerWaalsContact O-CG 3.29Å; E60-K63 WeakPolarHBondContact O-CG 3.44Å; E61-K63 VanDerWaalsContact C-N 3.34Å; E61-K63 PolarHBondContact O-N 2.84Å; K63-V67 VanDerWaalsContact O-CG2 3.25Å; K63-V67 WeakPolarHBondContact O-CG2 3.14Å; K63-V67 PolarHBondContact O-N 2.67Å
64Y59.3Low60.7Low158 Ų158113.1 Ų113.162%0.6258%0.578SS**Hα-helixtrans-76.8-36.5-179-64.1-72.9000112.1E60 E61 V67 A68E60-Y64 WeakPolarHBondContact O-CD2 3.19Å; E61-Y64 PolarHBondContact O-N 3.23Å; Y64-V67 PolarHBondContact O-N 3.39Å; Y64-A68 WeakPolarHBondContact O-CB 3.34Å; Y64-A68 PolarHBondContact O-N 2.93Å
65L60.8Low60.9Low124 Ų124114.7 Ų114.765%0.64958%0.584SS**Hα-helixtrans-63.4-43.6175.6-70.4171.7000112.2E61 V67 A68 E69E61-L65 PolarHBondContact O-N 2.81Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V67 PolarHBondContact O-N 2.85Å; L65-A68 PolarHBondContact O-N 3.47Å; L65-E69 WeakPolarHBondContact O-CB 3.3Å; L65-E69 PolarHBondContact O-N 3.1Å
66R62.8Low61Low196 Ų196110.6 Ų110.674%0.7457%0.572SS**Hα-helixtrans-62.2-40.6175.8-177.3-179.3-66.1-158.7-0.8112.4T62 A70T62-R66 PolarHBondContact O-N 3.19Å; R66-A70 WeakPolarHBondContact O-CB 3.41Å; R66-A70 PolarHBondContact O-N 2.76Å
67V67.1Low60.9Low100 Ų100114.4 Ų114.461%0.60657%0.57SS**Hα-helixtrans-69.5-40.7179.6171.90000111.1K63 Y64 L65 A70 L71K63-V67 VanDerWaalsContact O-CG2 3.25Å; K63-V67 WeakPolarHBondContact O-CG2 3.14Å; K63-V67 PolarHBondContact O-N 2.67Å; Y64-V67 PolarHBondContact O-N 3.39Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V67 PolarHBondContact O-N 2.85Å; V67-A70 PolarHBondContact O-N 2.79Å; V67-L71 WeakPolarHBondContact O-CB 3.05Å; V67-L71 PolarHBondContact O-N 2.99Å
68A66.7Low61.1Low42 Ų42113.1 Ų113.135%0.34757%0.572SS.*Hα-helixtrans-63.4-42.8174.600000111.9Y64 L65 L71 H72Y64-A68 WeakPolarHBondContact O-CB 3.34Å; Y64-A68 PolarHBondContact O-N 2.93Å; L65-A68 PolarHBondContact O-N 3.47Å; A68-L71 PolarHBondContact O-N 2.85Å; A68-H72 WeakPolarHBondContact O-CB 3.23Å; A68-H72 PolarHBondContact O-CD2 3.46Å; A68-H72 VanDerWaalsContact O-CG 3.24Å; A68-H72 PolarHBondContact O-N 3.46Å
69E63.6Low61.3Low110 Ų110115.1 Ų115.151%0.51460%0.597SS.*Hα-helixtrans-64.8-41.9176.1-163.1-170160.900111.9L65 H72 K73L65-E69 WeakPolarHBondContact O-CB 3.3Å; L65-E69 PolarHBondContact O-N 3.1Å; E69-H72 PolarHBondContact O-N 2.97Å; E69-K73 WeakPolarHBondContact O-CG 3.44Å; E69-K73 PolarHBondContact O-N 2.81Å; E69-K73 WeakPolarHBondContact OE1-CE 3.45Å; E69-K73 IonicContact OE1-NZ 3.36Å; E69-K73 PolarHBondContact OE1-NZ 3.08Å
70A67.2Low60.9Low57 Ų57116.9 Ų116.947%0.47160%0.596SS.*Hα-helixtrans-63.5-41.5176.400000112.3R66 V67 K73 L74R66-A70 WeakPolarHBondContact O-CB 3.41Å; R66-A70 PolarHBondContact O-N 2.76Å; V67-A70 PolarHBondContact O-N 2.79Å; A70-K73 PolarHBondContact O-N 2.65Å; A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 2.8Å
71L67.5Low60.4Low114 Ų114117.2 Ų117.260%0.59761%0.607SS**Hα-helixtrans-65.1-40.3176.6-169.673.9000111.4V67 A68 L74 K75V67-L71 WeakPolarHBondContact O-CB 3.05Å; V67-L71 PolarHBondContact O-N 2.99Å; A68-L71 PolarHBondContact O-N 2.85Å; L71-L74 PolarHBondContact O-N 3.01Å; L71-K75 WeakPolarHBondContact O-CB 2.91Å; L71-K75 PolarHBondContact O-N 3.34Å
72H67Low59.8Low114 Ų114116.9 Ų116.953%0.52861%0.613SS.*Hα-helixtrans-67-40.5176.2-69.7-176.2000112A68 E69 K75 L76A68-H72 WeakPolarHBondContact O-CB 3.23Å; A68-H72 PolarHBondContact O-CD2 3.46Å; A68-H72 VanDerWaalsContact O-CG 3.24Å; A68-H72 PolarHBondContact O-N 3.46Å; E69-H72 PolarHBondContact O-N 2.97Å; H72-K75 PolarHBondContact O-N 3.22Å; H72-L76 WeakPolarHBondContact O-CG 3.43Å; H72-L76 PolarHBondContact O-N 2.78Å
73K62.1Low59.2Low121 Ų121121.4 Ų121.453%0.52663%0.627SS.*Hα-helixtrans-63.6-43.2174.7-74.3176.8-169.7-82.90112.2E69 A70 K75 L76 Q77E69-K73 WeakPolarHBondContact O-CG 3.44Å; E69-K73 PolarHBondContact O-N 2.81Å; E69-K73 WeakPolarHBondContact OE1-CE 3.45Å; E69-K73 IonicContact OE1-NZ 3.36Å; E69-K73 PolarHBondContact OE1-NZ 3.08Å; A70-K73 PolarHBondContact O-N 2.65Å; K73-K75 VanDerWaalsContact C-N 3.35Å; K73-L76 PolarHBondContact O-N 3.4Å; K73-Q77 PolarHBondContact O-N 2.88Å
74L63.6Low58.5Low111 Ų111123.6 Ų123.658%0.58164%0.639SS**Hα-helixtrans-64.4-40.9176.2-170.973.5000111.4A70 L71 L76 Q77 S78A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 2.8Å; L71-L74 PolarHBondContact O-N 3.01Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.93Å; L74-Q77 PolarHBondContact O-N 3.03Å; L74-S78 WeakPolarHBondContact O-CB 3.49Å; L74-S78 PolarHBondContact O-N 2.98Å
75K64.3Low57.7Low156 Ų156124.2 Ų124.268%0.67865%0.647SS**Hα-helixtrans-63.6-36.9177.7-163.9176.578.91710112.3L71 H72 K73L71-K75 WeakPolarHBondContact O-CB 2.91Å; L71-K75 PolarHBondContact O-N 3.34Å; H72-K75 PolarHBondContact O-N 3.22Å; K73-K75 VanDerWaalsContact C-N 3.35Å
76L62.8Low56.7Low141 Ų141128.6 Ų128.674%0.73866%0.655SS**Hα-helixtrans-72.5-35.5175.9-68172.6000112.5H72 K73 L74 S78H72-L76 WeakPolarHBondContact O-CG 3.43Å; H72-L76 PolarHBondContact O-N 2.78Å; K73-L76 PolarHBondContact O-N 3.4Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 2.93Å; L76-S78 VanDerWaalsContact C-N 3.33Å
77Q57.9Low55.8Low151 Ų151127.6 Ų127.671%0.70666%0.659SS**Hα-helixtrans-72.5-24.6173.9-81.8-178.3-29.900113.6K73 L74 G79K73-Q77 PolarHBondContact O-N 2.88Å; L74-Q77 PolarHBondContact O-N 3.03Å; Q77-G79 VanDerWaalsContact C-N 3.28Å; Q77-G79 PolarHBondContact O-N 3.18Å
78S57.5Low55Low102 Ų102128.3 Ų128.371%0.71367%0.666SS**THydrogen-bonded Turntrans-78.3-8.4-179.8-172.80000114L74 L76L74-S78 WeakPolarHBondContact O-CB 3.49Å; L74-S78 PolarHBondContact O-N 2.98Å; L76-S78 VanDerWaalsContact C-N 3.33Å
79G56.8Low53.7Low65 Ų65130.3 Ų130.367%0.6768%0.682SS**SBendtrans-97.5-18.7-170.500000116.6Q77Q77-G79 VanDerWaalsContact C-N 3.28Å; Q77-G79 PolarHBondContact O-N 3.18Å
80E45.1Very low52.7Low166 Ų166130.9 Ų130.978%0.77670%0.698SS**  trans-157.779.9-170.3-159.3163.2-176.700111.9
81V46.1Very low51.2Low141 Ų141132.6 Ų132.686%0.85571%0.712SS**  trans-113.160.3159.2-79.60000108.3
82T42.4Very low50.5Low110 Ų110136 Ų13668%0.67573%0.725SS**  trans-103.8112.2164.7-51.10000106.8
83K44.3Very low49.1Very low167 Ų167135.7 Ų135.773%0.72674%0.736SS**  trans80111.3146.8-82.4-175.4164.5-142.40120
84E43.3Very low48.4Very low150 Ų150135.3 Ų135.370%0.70174%0.744SS**  trans90.1122.3134.2-11-152.7170.500119.9
85E42.3Very low47.7Very low171 Ų171135.7 Ų135.780%0.79975%0.753SS**  trans80.7121.2137.8-145.6-176.1156.400120.6
86R41Very low47.1Very low215 Ų215133.1 Ų133.181%0.81176%0.755SS**  trans106.590.6144.6-150.5166.6-177.5155.1-1.3116.8
87Q43.8Very low46.2Very low176 Ų176132 Ų13282%0.82275%0.754SS**  trans-67.7148.3146.2-76.1-129.8-7.500110.1
88P49.6Very low45.8Very low115 Ų115130.4 Ų130.475%0.74776%0.755SS**  -139.714192.133.6-17.1000115.1
89A40.5Very low45.5Very low83 Ų83131.6 Ų131.669%0.68676%0.76SS**  trans25.7140.4136.500000122.5
90S41.7Very low45.3Very low123 Ų123137.2 Ų137.286%0.8677%0.768SS**  trans96.5103.6145.2-151.20000118.4
91A36.7Very low45.6Very low92 Ų92134.1 Ų134.176%0.7677%0.765SS**  172.2114.1108.200000109.9
92Q51.1Low46.1Very low185 Ų185132.3 Ų132.386%0.86476%0.759SS**  trans-34.2124.3158.5173-178.1-21.500114.4
93S37.8Very low46.7Very low108 Ų108132.8 Ų132.876%0.75576%0.764SS**  trans-144.8104.5149.666.20000109.4P95S93-P95 VanDerWaalsContact O-CD 3.3Å; S93-P95 WeakPolarHBondContact O-CD 3.34Å
94T48.9Very low47.3Very low113 Ų113134.3 Ų134.369%0.69377%0.77SS**  trans-72.5120.3170.3-20.50000108.7S96T94-S96 PolarHBondContact O-N 2.92Å; T94-S96 VanDerWaalsContact O-N 3.09Å
95P48.3Very low47.9Very low120 Ų120136.1 Ų136.178%0.77978%0.779SS**  trans-77.387.3152.529.4-28.7000107.6S93 T97S93-P95 VanDerWaalsContact O-CD 3.3Å; S93-P95 WeakPolarHBondContact O-CD 3.34Å; P95-T97 VanDerWaalsContact C-N 3.31Å; P95-T97 PolarHBondContact O-N 2.94Å; P95-T97 VanDerWaalsContact O-N 3.1Å
96S51.5Low48.8Very low102 Ų102138.9 Ų138.971%0.71378%0.782SS**  trans-71.291.2160.4178.90000108.1T94T94-S96 PolarHBondContact O-N 2.92Å; T94-S96 VanDerWaalsContact O-N 3.09Å
97T42.8Very low49.6Very low116 Ų116134.3 Ų134.371%0.71278%0.78SS**  trans-139.990.9156.761.20000107.2P95 P99P95-T97 VanDerWaalsContact C-N 3.31Å; P95-T97 PolarHBondContact O-N 2.94Å; P95-T97 VanDerWaalsContact O-N 3.1Å; T97-P99 WeakPolarHBondContact O-CD 3.48Å
98T49.9Very low50.4Low119 Ų119136.9 Ų136.973%0.7378%0.782SS**  trans-49.4120.1160.839.40000108.5H100T98-H100 PolarHBondContact O-N 3.25Å
99P52.2Low50.4Low127 Ų127134.3 Ų134.383%0.82578%0.777SS**  trans-64110.7170.124.8-29.8000107.1T97 S101T97-P99 WeakPolarHBondContact O-CD 3.48Å; P99-S101 PolarHBondContact O-N 2.67Å
100H52.8Low51Low182 Ų182141.5 Ų141.584%0.84379%0.786SS**  trans-61.1113.1177.6-137.7-77.3000108T98T98-H100 PolarHBondContact O-N 3.25Å
101S51.1Low51.2Low102 Ų102145.4 Ų145.471%0.71379%0.788SS**  trans14122.9159.6-158.60000118.5P99P99-S101 PolarHBondContact O-N 2.67Å
102S55.3Low51.8Low103 Ų103147.2 Ų147.272%0.7279%0.79SS**  trans-40.7136.6167.7-53.40000113.8K104S102-K104 PolarHBondContact O-N 3.42Å; S102-K104 VanDerWaalsContact O-N 3.09Å
103P56.4Low51.5Low120 Ų120144.7 Ų144.778%0.77979%0.793SS**  trans-63117.5164.8-13.127.1000108Q105P103-Q105 PolarHBondContact O-N 3.1Å
104K55.9Low51.7Low199 Ų199143 Ų14387%0.86579%0.793SS**  trans-52.2105.4169-81.7173.3174.8173.60108.2S102 R106S102-K104 PolarHBondContact O-N 3.42Å; S102-K104 VanDerWaalsContact O-N 3.09Å; K104-R106 VanDerWaalsContact C-N 3.28Å; K104-R106 PolarHBondContact O-N 3.33Å
105Q56.8Low51.6Low188 Ų188143.7 Ų143.788%0.87980%0.802SS**  trans-59.994.9166.1-73.6-99.4-19.500107P103 P107P103-Q105 PolarHBondContact O-N 3.1Å; Q105-P107 VanDerWaalsContact O-CD 3.27Å; Q105-P107 WeakPolarHBondContact O-CD 3.36Å
106R60.5Low51.1Low228 Ų228143.5 Ų143.586%0.8680%0.803SS**  trans-77.9114.7162.4-78.9-166.7138.5173.4-3.7106.4K104 R108K104-R106 VanDerWaalsContact C-N 3.28Å; K104-R106 PolarHBondContact O-N 3.33Å; R106-R108 PolarHBondContact O-N 3.01Å; R106-R108 VanDerWaalsContact O-N 3.08Å
107P58.1Low50.8Low120 Ų120144.5 Ų144.578%0.77981%0.805SS**  trans-63.3115.8162.324.2-26.8000106.6Q105 G109Q105-P107 VanDerWaalsContact O-CD 3.27Å; Q105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-G109 PolarHBondContact O-N 2.86Å
108R61.5Low50.9Low229 Ų229143.2 Ų143.286%0.86481%0.807SS**  trans-63.493.1165.4178.5-179.4-67.4-83.50.9106R106 W110R106-R108 PolarHBondContact O-N 3.01Å; R106-R108 VanDerWaalsContact O-N 3.08Å; R108-W110 PolarHBondContact O-N 3.02Å
109G48Very low50.6Low61 Ų61145.4 Ų145.463%0.62981%0.813SS**  trans-59.3120.1177.200000109.8P107 F111P107-G109 PolarHBondContact O-N 2.86Å; G109-F111 VanDerWaalsContact C-N 3.33Å
110W54.1Low50.5Low234 Ų234145.3 Ų145.389%0.88681%0.812SS**  trans-98.522.7173.9-144.4-37000111.8R108 T112R108-W110 PolarHBondContact O-N 3.02Å; W110-T112 PolarHBondContact O-N 3.16Å
111F46.5Very low50Low206 Ų206139.2 Ų139.290%0.90480%0.799SS**  trans-91.488.1176.9-56-67.8000109.6G109G109-F111 VanDerWaalsContact C-N 3.33Å
112T47.7Very low49.8Very low130 Ų130140.7 Ų140.780%0.79881%0.806SS**  trans-89.4120.7141.435.60000107.3W110 G114W110-T112 PolarHBondContact O-N 3.16Å; T112-G114 PolarHBondContact O-N 3Å
113S45.6Very low49.4Very low132 Ų132142.8 Ų142.892%0.92381%0.809SS**  trans-39.3130.6172.9-52.80000112.8
114G41.4Very low48.9Very low73 Ų73143.3 Ų143.375%0.75381%0.813SS**  trans-156.3103.7169.800000108.8T112T112-G114 PolarHBondContact O-N 3Å
115S46.9Very low48.3Very low127 Ų127138.9 Ų138.989%0.88881%0.806SS**  trans-61.5131.3174.3-168.60000110.6
116S38.7Very low47.7Very low115 Ų115136.2 Ų136.280%0.80480%0.803SS**  trans-165.7142.4144.3-146.80000112.7
117T44.6Very low47.2Very low124 Ų124133.8 Ų133.876%0.76180%0.804SS**  trans-76.7153.7-172.143.90000114.6
118A43.8Very low46.7Very low89 Ų89135.7 Ų135.774%0.73681%0.808SS**  trans72.4120.315300000118.1
119L45Very low46.1Very low165 Ų165129.9 Ų129.986%0.86480%0.802SS**  -174.3139.9115-81.6-173000108.5
120P49.9Very low45.8Very low124 Ų124130.2 Ų130.281%0.80581%0.805SS**PPolyproline II helixtrans-75.8138.1-177.430.6-31.9000111.5
121G41.3Very low45.6Very low55 Ų55125.3 Ų125.357%0.56781%0.807SS**PPolyproline II helixtrans-70.9153.4-179.800000113.4N123G121-N123 PolarHBondContact O-N 3.34Å
122P48.7Very low45.5Very low132 Ų132119 Ų11986%0.85780%0.8SS**PPolyproline II helixtrans-81.1118.2173.530.9-29.1000110.1
123N45.4Very low45.7Very low147 Ų147119.6 Ų119.679%0.78680%0.798SS**PPolyproline II helixtrans-73.4135.2169.5-53.5-39.7000109.4G121 S125G121-N123 PolarHBondContact O-N 3.34Å; N123-S125 PolarHBondContact O-N 2.99Å
124P47.1Very low45.9Very low132 Ų132121.5 Ų121.586%0.85779%0.79SS**  trans-79.8100.9165.330.1-29.5000109.1T126P124-T126 PolarHBondContact O-N 2.83Å
125S43.2Very low46.5Very low105 Ų105125.6 Ų125.673%0.73479%0.794SS**  trans-73.8116173.2550000111N123N123-S125 PolarHBondContact O-N 2.99Å
126T43.9Very low46.8Very low132 Ų132130 Ų13081%0.8179%0.791SS**  51.1114.1124.9-45.70000118.1P124 D128P124-T126 PolarHBondContact O-N 2.83Å; T126-D128 PolarHBondContact O-N 3.15Å
127M50.8Low47.6Very low178 Ų178129.5 Ų129.588%0.87778%0.78SS**  trans-44.4131.8160.1-74.5174.813100111.7
128D45.6Very low47.9Very low160 Ų160130.7 Ų130.786%0.85678%0.781SS**  trans-130.5124.7149.1-16922.6000109.7T126T126-D128 PolarHBondContact O-N 3.15Å
129S49Very low48.4Very low107 Ų107129.9 Ų129.975%0.74877%0.769SS**  trans-101.1115.2179.9-73.40000107.5
130G41.8Very low48.9Very low67 Ų67126.8 Ų126.869%0.69175%0.754SS**  trans-134.992.1165.300000108.8
131S51.4Low49.5Very low132 Ų132129 Ų12992%0.92375%0.751SS**  67.5102.199.4-178.10000113.2
132G42.8Very low49.8Very low74 Ų74137.8 Ų137.876%0.76377%0.767SS**  trans176.573.2174.800000110.9K134G132-K134 PolarHBondContact O-N 3.14Å
133D52.8Low50.6Low142 Ų142135 Ų13576%0.75975%0.75SS**  trans-44.1118.9166171.638.2000112
134K49.4Very low51.3Low172 Ų172135 Ų13575%0.74875%0.75SS**  176.6107.7129.7-101.7-173.1174.5-1760109G132 R136G132-K134 PolarHBondContact O-N 3.14Å; K134-R136 PolarHBondContact O-N 2.87Å
135D53.8Low52Low158 Ų158138.5 Ų138.585%0.84575%0.752SS**  trans9.859147-59.4-42.6000117.3N137D135-N137 PolarHBondContact O-N 3.36Å
136R54.6Low52.8Low220 Ų220135.2 Ų135.283%0.8373%0.734SS**  trans-81.276.7166.9-99.1-168.4166.8-166-3.5107.8K134 L138K134-R136 PolarHBondContact O-N 2.87Å; R136-L138 PolarHBondContact O-N 3.42Å
137N54.3Low53.5Low104 Ų104135.3 Ų135.356%0.55674%0.737SS**  trans17.9104143.4-153-24.1000114.7D135 S139 D140D135-N137 PolarHBondContact O-N 3.36Å; N137-S139 PolarHBondContact O-N 2.75Å; N137-S139 WeakPolarHBondContact OD1-CB 3.36Å; N137-S139 PolarHBondContact OD1-N 3.45Å; N137-S139 VanDerWaalsContact OD1-N 3.08Å; N137-D140 PolarHBondContact O-N 3.39Å
138L50.8Low53.7Low150 Ų150138 Ų13879%0.78574%0.738SS**G310 helixtrans-52.2-9.2168.6-102.968.3000114R136R136-L138 PolarHBondContact O-N 3.42Å
139S54.6Low54.3Low71 Ų71136 Ų13650%0.49774%0.736SS.*G310 helixtrans-63.3-25.4173.6170.70000115.5N137 K141N137-S139 PolarHBondContact O-N 2.75Å; N137-S139 WeakPolarHBondContact OD1-CB 3.36Å; N137-S139 PolarHBondContact OD1-N 3.45Å; N137-S139 VanDerWaalsContact OD1-N 3.08Å; S139-K141 PolarHBondContact O-N 3.33Å
140D55.7Low54.1Low100 Ų100138.3 Ų138.354%0.53574%0.739SS.*G310 helixtrans-76.1-9.4-173.9-71.8-21000113.4N137 W142N137-D140 PolarHBondContact O-N 3.39Å; D140-W142 PolarHBondContact O-N 3.22Å
141K61.7Low54.4Low171 Ų171142.5 Ų142.574%0.74374%0.741SS**G310 helixtrans-72.6-10.4179.5-67.7-179.3165.3-142.30114.4S139S139-K141 PolarHBondContact O-N 3.33Å
142W49Very low54.4Low239 Ų239145.1 Ų145.191%0.90574%0.736SS**G310 helixtrans-115.53178.8-70.5100000114.2D140 L144D140-W142 PolarHBondContact O-N 3.22Å; W142-L144 VanDerWaalsContact C-N 3.35Å; W142-L144 PolarHBondContact O-N 3.4Å; W142-L144 VanDerWaalsContact O-N 3.08Å
143S64.5Low54.4Low73 Ų73151.4 Ų151.451%0.5174%0.738SS.*  trans-90.169.1-176.5-154.40000111.9F145 G146S143-F145 VanDerWaalsContact C-N 3.25Å; S143-G146 PolarHBondContact OG-N 3Å
144L59.6Low54.1Low148 Ų148152 Ų15278%0.77574%0.741SS**SBendtrans-79.8-5.6167.5-103.375.3000113.1W142W142-L144 VanDerWaalsContact C-N 3.35Å; W142-L144 PolarHBondContact O-N 3.4Å; W142-L144 VanDerWaalsContact O-N 3.08Å
145F63.6Low54.4Low206 Ų206149.2 Ų149.290%0.90474%0.743SS**SBendtrans-133.725.2-178-64.8-79.3000114.2S143S143-F145 VanDerWaalsContact C-N 3.25Å
146G59.8Low54.1Low35 Ų35144.6 Ų144.636%0.36173%0.732SS.*SBendtrans-71.4144.7169.500000111.8S143 R148S143-G146 PolarHBondContact OG-N 3Å; G146-R148 PolarHBondContact O-N 3.14Å
147P57.4Low54.1Low134 Ų134139.9 Ų139.987%0.8773%0.734SS**  trans-66.5112.4-176.227.2-32000109.9S149P147-S149 PolarHBondContact O-N 2.77Å
148R55.3Low54.1Low236 Ų236143.8 Ų143.889%0.89175%0.746SS**  trans-63.3133.1167.7-89.1-178.3-122.7-152.9-1.8109G146 L150G146-R148 PolarHBondContact O-N 3.14Å; R148-L150 PolarHBondContact O-N 2.94Å
149S57.6Low54.2Low116 Ų116141.3 Ų141.381%0.81175%0.747SS**  trans-55121.9170.152.30000109.7P147 Q151P147-S149 PolarHBondContact O-N 2.77Å; S149-Q151 PolarHBondContact O-N 2.83Å
150L44.9Very low54.5Low157 Ų157144.3 Ų144.382%0.82276%0.763SS**  trans-62.7101.6-173.9-169.8134.1000110.7R148 K152R148-L150 PolarHBondContact O-N 2.94Å; L150-K152 PolarHBondContact O-N 3.01Å
151Q49.4Very low54.8Low155 Ų155148 Ų14872%0.72478%0.776SS**  trans-73.1123.3172-148.3174.7-19.600108.1S149 Y153S149-Q151 PolarHBondContact O-N 2.83Å; Q151-Y153 PolarHBondContact O-N 3.09Å; Q151-Y153 VanDerWaalsContact O-N 3.16Å
152K49.9Very low54.8Low187 Ų187144 Ų14481%0.81378%0.776SS**  trans-59.1113.3179.4-68.2-83.1-175.7171.30109.8L150L150-K152 PolarHBondContact O-N 3.01Å
153Y42.8Very low54.9Low206 Ų206141.7 Ų141.781%0.80877%0.768SS**  trans-127117.3158.7-84.3-84.1000108.4Q151Q151-Y153 PolarHBondContact O-N 3.09Å; Q151-Y153 VanDerWaalsContact O-N 3.16Å
154D47.4Very low54.8Low153 Ų153149.7 Ų149.782%0.81879%0.787SS**  trans-80.2159.2167.9-162.1-2.1000109
155S55Low54.6Low115 Ų115145.1 Ų145.180%0.80478%0.775SS**  trans79.198.6175.8-55.30000117.6
156G48.4Very low54.8Low60 Ų60138.4 Ų138.462%0.61976%0.758SS**  trans156.377.7162.700000112.6F158G156-F158 WeakPolarHBondContact O-CD2 3.33Å; G156-F158 PolarHBondContact O-N 3.38Å
157S55.3Low55.2Low122 Ų122145 Ų14585%0.85378%0.78SS**  trans-45.992.3173.7158.60000112.8
158F52.7Low55.9Low185 Ų185147.6 Ų147.681%0.81178%0.777SS**  trans-115.7108150.2-59.3-79.1000105.5G156 T160G156-F158 WeakPolarHBondContact O-CD2 3.33Å; G156-F158 PolarHBondContact O-N 3.38Å; F158-T160 VanDerWaalsContact C-N 3.27Å; F158-T160 PolarHBondContact O-N 3.04Å
159A54.8Low56.5Low98 Ų98139.7 Ų139.781%0.8176%0.756SS**  trans-63.193.4173.700000108.1Q161A159-Q161 PolarHBondContact O-N 2.9Å
160T59.3Low57.5Low135 Ų135136.7 Ų136.783%0.82874%0.736SS**  trans-70.777.9161.946.10000106.5F158 A162F158-T160 VanDerWaalsContact C-N 3.27Å; F158-T160 PolarHBondContact O-N 3.04Å; T160-A162 PolarHBondContact O-N 3.37Å
161Q62.4Low59Low176 Ų176133.9 Ų133.982%0.82273%0.726SS**  trans-56.9114.3168.4-174.4176.715.100106.4A159 Y163A159-Q161 PolarHBondContact O-N 2.9Å; Q161-Y163 PolarHBondContact O-N 2.94Å
162A61.1Low60.4Low88 Ų88132.3 Ų132.373%0.72772%0.722SS**  trans-55.9112170.800000107T160 R164T160-A162 PolarHBondContact O-N 3.37Å; A162-R164 PolarHBondContact O-N 3.39Å
163Y52Low61.7Low191 Ų191128.1 Ų128.175%0.74971%0.706SS**  trans-65.291.6175-178.2-108000107.3Q161 G165Q161-Y163 PolarHBondContact O-N 2.94Å; Y163-G165 VanDerWaalsContact CE1-CA 3.47Å; Y163-G165 PolarHBondContact O-N 3.33Å
164R62.2Low63.5Low241 Ų241122.9 Ų122.991%0.90969%0.691SS**  trans-63.294.4163.3-118.5-104.7-166.3-109.7-1.1104.3A162 A166A162-R164 PolarHBondContact O-N 3.39Å; R164-A166 PolarHBondContact O-N 2.96Å; R164-A166 VanDerWaalsContact O-N 3.14Å
165G55.8Low64.8Low51 Ų51121 Ų12153%0.52668%0.68SS.*  trans-45.6122.9-172.400000110.9Y163 Q167Y163-G165 VanDerWaalsContact CE1-CA 3.47Å; Y163-G165 PolarHBondContact O-N 3.33Å; G165-Q167 PolarHBondContact O-N 3.4Å
166A68.3Low65.8Low66 Ų66123.7 Ų123.755%0.54567%0.672SS.*PPolyproline II helixtrans-54.5134.7168.500000107.5R164 K168R164-A166 PolarHBondContact O-N 2.96Å; R164-A166 VanDerWaalsContact O-N 3.14Å; A166-K168 PolarHBondContact O-N 2.98Å
167Q66.9Low66.9Low174 Ų174123.2 Ų123.281%0.81366%0.662SS**PPolyproline II helixtrans-51.8116.3179.3-177.2166.6-3900108.3G165 P169G165-Q167 PolarHBondContact O-N 3.4Å; Q167-P169 WeakPolarHBondContact O-CD 3.33Å; Q167-P169 VanDerWaalsContact O-N 3.13Å
168K72Confident67.5Low188 Ų188123.2 Ų123.282%0.81765%0.649SS**PPolyproline II helixtrans-57.5121.5178.8-67.2177-179.6177.90106.6A166 S170A166-K168 PolarHBondContact O-N 2.98Å; K168-S170 PolarHBondContact O-N 3.36Å
169P68.8Low68Low70 Ų70117.2 Ų117.246%0.45563%0.633SS.*PPolyproline II helixtrans-60.1135-179.623.5-32.3000108.6Q167 E173 L174Q167-P169 WeakPolarHBondContact O-CD 3.33Å; Q167-P169 VanDerWaalsContact O-N 3.13Å; P169-E173 VanDerWaalsContact CA-OE2 3.23Å; P169-E173 WeakPolarHBondContact CA-OE2 3.43Å; P169-E173 HydrophobicContact CB-CB 4.26Å; P169-L174 HydrophobicContact CB-CD2 4.24Å; P169-L174 HydrophobicContact CB-CG 4.39Å; P169-L174 HydrophobicContact CG-CD2 3.79Å; P169-L174 HydrophobicContact CG-CG 4.24Å
170S78.5Confident68.3Low53 Ų53118 Ų11837%0.37162%0.624SS.*PPolyproline II helixtrans-58.7145.8177.6170.10000109.3K168 L172 E173 L174K168-S170 PolarHBondContact O-N 3.36Å; S170-L172 PolarHBondContact O-N 3.45Å; S170-E173 PolarHBondContact N-OE2 3.3Å; S170-E173 WeakPolarHBondContact O-CA 3.48Å; S170-E173 WeakPolarHBondContact O-CB 3.48Å; S170-E173 PolarHBondContact O-N 3.35Å; S170-L174 PolarHBondContact O-N 3.18Å; S170-L174 VanDerWaalsContact O-N 3.08Å
171P75.1Confident68.2Low97 Ų97120.4 Ų120.463%0.6362%0.618SS**Hα-helixtrans-49.7-32.9175.4-29.135.6000113.7L174 I175P171-L174 PolarHBondContact O-N 3.39Å; P171-I175 WeakPolarHBondContact O-CD1 3.15Å; P171-I175 VanDerWaalsContact O-CG1 3.28Å; P171-I175 WeakPolarHBondContact O-CG1 3.39Å; P171-I175 PolarHBondContact O-N 2.89Å
172L79.4Confident67.9Low122 Ų122119.5 Ų119.564%0.63962%0.616SS**Hα-helixtrans-66.9-36.2173.9-96.5157000113.5S170 I175 R176S170-L172 PolarHBondContact O-N 3.45Å; L172-I175 PolarHBondContact O-N 3.01Å; L172-R176 PolarHBondContact O-N 2.96Å
173E77.3Confident67.8Low100 Ų100119.7 Ų119.747%0.46762%0.617SS.*Hα-helixtrans-70.3-36.7176-65.2173.9155.100110.8P169 S170 R176 A177P169-E173 VanDerWaalsContact CA-OE2 3.23Å; P169-E173 WeakPolarHBondContact CA-OE2 3.43Å; P169-E173 HydrophobicContact CB-CB 4.26Å; S170-E173 PolarHBondContact N-OE2 3.3Å; S170-E173 WeakPolarHBondContact O-CA 3.48Å; S170-E173 WeakPolarHBondContact O-CB 3.48Å; S170-E173 PolarHBondContact O-N 3.35Å; E173-R176 PolarHBondContact O-N 2.8Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 2.83Å
174L80.1Confident68Low96 Ų96115.6 Ų115.650%0.50361%0.605SS.*Hα-helixtrans-62.3-45.6173.2-68.2176.8000111.6P169 S170 P171 R176 A177 Q178P169-L174 HydrophobicContact CB-CD2 4.24Å; P169-L174 HydrophobicContact CB-CG 4.39Å; P169-L174 HydrophobicContact CG-CD2 3.79Å; P169-L174 HydrophobicContact CG-CG 4.24Å; S170-L174 PolarHBondContact O-N 3.18Å; S170-L174 VanDerWaalsContact O-N 3.08Å; P171-L174 PolarHBondContact O-N 3.39Å; L174-R176 PolarHBondContact O-N 2.94Å; L174-A177 PolarHBondContact O-N 3.49Å; L174-Q178 VanDerWaalsContact O-CB 3.32Å; L174-Q178 WeakPolarHBondContact O-CB 3.42Å; L174-Q178 PolarHBondContact O-N 3.1Å
175I76.3Confident67.8Low112 Ų112109.1 Ų109.157%0.57459%0.588SS**Hα-helixtrans-63-42.9178.1-66.2163000110.7P171 L172 Q178 A179P171-I175 WeakPolarHBondContact O-CD1 3.15Å; P171-I175 VanDerWaalsContact O-CG1 3.28Å; P171-I175 WeakPolarHBondContact O-CG1 3.39Å; P171-I175 PolarHBondContact O-N 2.89Å; L172-I175 PolarHBondContact O-N 3.01Å; I175-Q178 PolarHBondContact O-N 3.29Å; I175-A179 VanDerWaalsContact O-CB 3.28Å; I175-A179 WeakPolarHBondContact O-CB 3.3Å; I175-A179 PolarHBondContact O-N 3.03Å
176R74.4Confident67.9Low173 Ų173112 Ų11265%0.65360%0.597SS**Hα-helixtrans-67.2-41.1178.6-165.1-176.3-61.3178.41112.4L172 E173 L174 Q178 A179 N180L172-R176 PolarHBondContact O-N 2.96Å; E173-R176 PolarHBondContact O-N 2.8Å; L174-R176 PolarHBondContact O-N 2.94Å; R176-Q178 VanDerWaalsContact C-N 3.35Å; R176-A179 PolarHBondContact O-N 2.95Å; R176-N180 PolarHBondContact O-N 3.35Å
177A72.2Confident67.6Low49 Ų49113 Ų11341%0.40561%0.607SS.*Hα-helixtrans-65.7-38.1176.300000112.1E173 L174 R181E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.25Å; E173-A177 PolarHBondContact O-N 2.83Å; L174-A177 PolarHBondContact O-N 3.49Å; A177-R181 WeakPolarHBondContact O-CG 3.29Å; A177-R181 PolarHBondContact O-N 2.95Å
178Q67.9Low67.2Low122 Ų122107.3 Ų107.357%0.5759%0.589SS**Hα-helixtrans-71.3-39176-164.7175.3-4.300111.6L174 I175 R176 N180 R181 M182L174-Q178 VanDerWaalsContact O-CB 3.32Å; L174-Q178 WeakPolarHBondContact O-CB 3.42Å; L174-Q178 PolarHBondContact O-N 3.1Å; I175-Q178 PolarHBondContact O-N 3.29Å; R176-Q178 VanDerWaalsContact C-N 3.35Å; Q178-N180 PolarHBondContact O-N 3.43Å; Q178-R181 PolarHBondContact O-N 2.97Å; Q178-M182 WeakPolarHBondContact O-CG 3.38Å; Q178-M182 PolarHBondContact O-N 2.93Å
179A63.3Low66.7Low59 Ų59103 Ų10349%0.48857%0.574SS.*Hα-helixtrans-62.6-40.1175.800000112.6I175 R176 R181 M182I175-A179 VanDerWaalsContact O-CB 3.28Å; I175-A179 WeakPolarHBondContact O-CB 3.3Å; I175-A179 PolarHBondContact O-N 3.03Å; R176-A179 PolarHBondContact O-N 2.95Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.49Å; A179-M182 PolarHBondContact O-N 3.09Å
180N60.5Low66.8Low115 Ų115108.5 Ų108.562%0.61559%0.591SS**Hα-helixtrans-68.6-29.6176.6-70.8-13.7000112.8R176 Q178R176-N180 PolarHBondContact O-N 3.35Å; Q178-N180 PolarHBondContact O-N 3.43Å
181R58.6Low66.2Low186 Ų186111 Ų11170%0.70261%0.606SS**Hα-helixtrans-73.3-25176.3-75.5180178.6179.80.5113.7A177 Q178 A179 A183A177-R181 WeakPolarHBondContact O-CG 3.29Å; A177-R181 PolarHBondContact O-N 2.95Å; Q178-R181 PolarHBondContact O-N 2.97Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.49Å; R181-A183 VanDerWaalsContact C-N 3.28Å
182M56.3Low65.8Low156 Ų156112.4 Ų112.477%0.76862%0.615SS**THydrogen-bonded Turntrans-79-11.7178.5-64.2-62.1-146.800113.3Q178 A179Q178-M182 WeakPolarHBondContact O-CG 3.38Å; Q178-M182 PolarHBondContact O-N 2.93Å; A179-M182 PolarHBondContact O-N 3.09Å
183A58.1Low64.7Low92 Ų92116 Ų11676%0.7663%0.626SS**THydrogen-bonded Turntrans-92-4.3177.900000113.4R181R181-A183 VanDerWaalsContact C-N 3.28Å
184E56.8Low63.9Low106 Ų106118.5 Ų118.550%0.49564%0.639SS.*SBendtrans-102.3131.2-178.6-161174.1-17200110.3
185D56.3Low63.2Low104 Ų104121.7 Ų121.756%0.55666%0.657SS**  trans-55.1123.9179.2175.79.4000110.4A187 A188D185-A187 PolarHBondContact O-N 3.44Å; D185-A187 PolarHBondContact OD1-N 2.94Å; D185-A188 PolarHBondContact O-N 3.05Å
186P58.5Low62.5Low111 Ų111122 Ų12272%0.72166%0.658SS**THydrogen-bonded Turntrans-58.6-14.7-177.523.6-35.6000114.2
187A62.1Low61.7Low89 Ų89119 Ų11974%0.73666%0.662SS**THydrogen-bonded Turntrans-77.4-18.1172.800000114.4D185D185-A187 PolarHBondContact O-N 3.44Å; D185-A187 PolarHBondContact OD1-N 2.94Å
188A59.2Low60.4Low53 Ų53123.1 Ų123.144%0.43868%0.681SS.*THydrogen-bonded Turntrans-92.9-10.7-177.700000113.9D185 K190D185-A188 PolarHBondContact O-N 3.05Å; A188-K190 PolarHBondContact O-N 3.09Å
189L60Low59.7Low98 Ų98125.9 Ų125.951%0.51370%0.696SS.*  trans-69.491.7-178.2-63.3178.5000110.8
190K72.2Confident59.1Low185 Ų185132.2 Ų132.280%0.80472%0.716SS**PPolyproline II helixtrans-67.4131.1172.1-64.8-160-178.4-176.50109.2A188A188-K190 PolarHBondContact O-N 3.09Å
191P66.3Low58.8Low107 Ų107129.5 Ų129.570%0.69572%0.715SS**PPolyproline II helixtrans-58.5145.2176.624.3-32.8000109.7K193P191-K193 PolarHBondContact O-N 2.88Å; P191-K193 VanDerWaalsContact O-N 3.09Å
192P65.9Low58.5Low126 Ų126130.5 Ų130.582%0.81872%0.724SS**PPolyproline II helixtrans-55.2121.3178.321.7-31.4000109.2M194P192-M194 PolarHBondContact O-N 3.08Å
193K56.2Low58.5Low198 Ų198133.3 Ų133.386%0.86173%0.733SS**  trans-67.6101.2174.8-73.4-178.2179174.90107.7P191 D195P191-K193 PolarHBondContact O-N 2.88Å; P191-K193 VanDerWaalsContact O-N 3.09Å; K193-D195 PolarHBondContact O-N 2.85Å
194M61.5Low58.8Low151 Ų151136.2 Ų136.274%0.74473%0.73SS**  trans-77.7107169.9-157.3-168.1-43.600106.5P192 I196P192-M194 PolarHBondContact O-N 3.08Å; M194-I196 HydrophobicContact CB-CG1 4.3Å; M194-I196 HydrophobicContact CG-CG1 4.12Å; M194-I196 PolarHBondContact O-N 3.07Å; M194-I196 HydrophobicContact SD-CD1 4.34Å; M194-I196 HydrophobicContact SD-CG1 3.95Å
195D64.4Low59.1Low163 Ų163136 Ų13687%0.87274%0.738SS**  trans-7388.9168.3-91.4-18000107.8K193K193-D195 PolarHBondContact O-N 2.85Å
196I60.9Low59.4Low119 Ų119137.3 Ų137.361%0.6175%0.752SS**  trans-74.9126171.1-57.4163.2000105.7M194 V198M194-I196 HydrophobicContact CB-CG1 4.3Å; M194-I196 HydrophobicContact CG-CG1 4.12Å; M194-I196 PolarHBondContact O-N 3.07Å; M194-I196 HydrophobicContact SD-CD1 4.34Å; M194-I196 HydrophobicContact SD-CG1 3.95Å; I196-V198 PolarHBondContact O-N 3.21Å
197P58.3Low59.9Low111 Ų111142.3 Ų142.372%0.72176%0.757SS**  trans-54.7120.3172.221.7-30.8000108.7M199P197-M199 PolarHBondContact O-N 3.16Å
198V44.6Very low60.2Low135 Ų135141.6 Ų141.682%0.81875%0.751SS**  trans-62.599.9-179.3172.60000108.1I196 E200I196-V198 PolarHBondContact O-N 3.21Å; V198-E200 VanDerWaalsContact C-N 3.33Å; V198-E200 PolarHBondContact O-N 3.08Å
199M53Low60.9Low179 Ų179146.4 Ų146.488%0.88276%0.764SS**  trans-7497.2154.3-75.9178.463.300106.3P197 G201P197-M199 PolarHBondContact O-N 3.16Å; M199-G201 PolarHBondContact O-N 2.86Å
200E51.9Low61.6Low192 Ų192148.9 Ų148.990%0.89778%0.778SS**  trans-57.7103.4162.1-174.5-166.9-168.700107.6V198V198-E200 VanDerWaalsContact C-N 3.33Å; V198-E200 PolarHBondContact O-N 3.08Å
201G53.7Low62Low59 Ų59144 Ų14461%0.60876%0.76SS**SBendtrans173.8105.9-177.100000110.1M199 K203M199-G201 PolarHBondContact O-N 2.86Å; G201-K203 PolarHBondContact O-N 3.25Å
202K52.5Low63.1Low206 Ų206145.8 Ų145.890%0.89676%0.757SS**  trans-18.6115.2174.2-64176.7176.6178.40113.3Q204K202-Q204 PolarHBondContact O-N 3.26Å
203K56.9Low63.7Low216 Ų216145.1 Ų145.194%0.93975%0.753SS**  trans-52.999.3169.6-77.8-178.1177.1176.70109.1G201G201-K203 PolarHBondContact O-N 3.25Å
204Q62.8Low64.8Low152 Ų152146.2 Ų146.271%0.7175%0.751SS**  trans-69.6139.1159.5-76.5-154-2.500107.8K202K202-Q204 PolarHBondContact O-N 3.26Å
205P63.4Low65.7Low103 Ų103142.1 Ų142.167%0.66973%0.732SS**  trans-56.2147.7168.825.2-32.3000108.9R207P205-R207 PolarHBondContact O-N 3.29Å
206P62.7Low66.6Low130 Ų130138.7 Ų138.784%0.84471%0.714SS**  trans-54.8111.4176.622.7-31.6000107.7A208P206-A208 PolarHBondContact O-N 3.25Å
207R69.8Low67.3Low216 Ų216138.8 Ų138.882%0.81572%0.715SS**  trans-66.4107.2-175.4-173.2161-174.990.90.9107.4P205 H209P205-R207 PolarHBondContact O-N 3.29Å; R207-H209 PolarHBondContact O-N 3.49Å
208A68.1Low68.2Low74 Ų74139.3 Ų139.361%0.61272%0.716SS**  trans-59.1111.4172.600000107.6P206 N210P206-A208 PolarHBondContact O-N 3.25Å; A208-N210 PolarHBondContact O-N 3.47Å; A208-N210 VanDerWaalsContact O-N 3.16Å; A208-N210 PolarHBondContact O-ND2 3.04Å
209H73.1Confident69.9Low154 Ų154138.3 Ų138.371%0.71371%0.705SS**  trans-73107.5175.149.2-88.2000106.9R207 L211R207-H209 PolarHBondContact O-N 3.49Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.5Å
210N75.2Confident71Confident150 Ų150133.5 Ų133.580%0.80269%0.686SS**  trans-79.385.8175.4-73.7-83.1000108.2A208A208-N210 PolarHBondContact O-N 3.47Å; A208-N210 VanDerWaalsContact O-N 3.16Å; A208-N210 PolarHBondContact O-ND2 3.04Å
211L80.6Confident72.2Confident83 Ų83130.4 Ų130.444%0.43568%0.683SS.*  trans-71.4125.9168.9-72.3165.9000108.4H209 D215 L219H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.5Å; L211-D215 HydrophobicContact CD2-CB 4.31Å; L211-L219 HydrophobicContact CD1-CD1 3.78Å
212K88.5Confident73Confident145 Ų145133.3 Ų133.363%0.6369%0.689SS**  trans-72.5153.6175.7-62.9179.71791740108.8R214 D215K212-R214 PolarHBondContact O-N 3.45Å; K212-D215 WeakPolarHBondContact CB-OD2 3.37Å; K212-D215 PolarHBondContact N-OD2 2.86Å; K212-D215 VanDerWaalsContact N-OD2 3.15Å; K212-D215 WeakPolarHBondContact O-CB 3.47Å; K212-D215 PolarHBondContact O-N 3.23Å
213P79.1Confident73.8Confident112 Ų112127.2 Ų127.273%0.72769%0.685SS**THydrogen-bonded Turntrans-53.8-27.4176.4-28.235.2000114.1D215P213-D215 VanDerWaalsContact C-N 3.34Å
214R78.9Confident73.5Confident221 Ų221129.9 Ų129.983%0.83470%0.697SS**THydrogen-bonded Turntrans-74.4-22176.2-65.4-174.8178.8172.5-0.5113.8K212K212-R214 PolarHBondContact O-N 3.45Å
215D82.1Confident74Confident65 Ų65128.8 Ų128.835%0.34870%0.696SS.*THydrogen-bonded Turntrans-88.2-10.6-176-52.2-24.9000111.6L211 K212 P213 N217 V218L211-D215 HydrophobicContact CD2-CB 4.31Å; K212-D215 WeakPolarHBondContact CB-OD2 3.37Å; K212-D215 PolarHBondContact N-OD2 2.86Å; K212-D215 VanDerWaalsContact N-OD2 3.15Å; K212-D215 WeakPolarHBondContact O-CB 3.47Å; K212-D215 PolarHBondContact O-N 3.23Å; P213-D215 VanDerWaalsContact C-N 3.34Å; D215-N217 PolarHBondContact O-N 2.67Å; D215-V218 WeakPolarHBondContact O-CB 3.37Å; D215-V218 WeakPolarHBondContact O-CG2 3.27Å; D215-V218 PolarHBondContact O-N 3.47Å; D215-V218 VanDerWaalsContact O-N 3.14Å
216L82.6Confident74.6Confident91 Ų91130.2 Ų130.248%0.47670%0.698SS.*G310 helixtrans-64.2-28.9177.6-65.5176.2000112.6V218 L219 T220L216-V218 PolarHBondContact O-N 3.08Å; L216-L219 WeakPolarHBondContact O-CB 3.4Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-T220 PolarHBondContact O-N 2.89Å
217N75.7Confident75.2Confident120 Ų120130.2 Ų130.264%0.64269%0.69SS**G310 helixtrans-67.2-16.5176.8-65-12.1000113D215 L219 T220D215-N217 PolarHBondContact O-N 2.67Å; N217-L219 VanDerWaalsContact C-N 3.29Å; N217-T220 PolarHBondContact O-OG1 3.25Å
218V76.3Confident75.5Confident122 Ų122125.1 Ų125.174%0.73968%0.682SS**G310 helixtrans-76.9-22.9173.6-171.50000110.9D215 L216D215-V218 WeakPolarHBondContact O-CB 3.37Å; D215-V218 WeakPolarHBondContact O-CG2 3.27Å; D215-V218 PolarHBondContact O-N 3.47Å; D215-V218 VanDerWaalsContact O-N 3.14Å; L216-V218 PolarHBondContact O-N 3.08Å
219L80.1Confident76Confident114 Ų114128.3 Ų128.360%0.59769%0.687SS**THydrogen-bonded Turntrans-93.1-12.5-179.5-58.6-178.1000113.1L211 L216 N217 P221L211-L219 HydrophobicContact CD1-CD1 3.78Å; L216-L219 WeakPolarHBondContact O-CB 3.4Å; L216-L219 PolarHBondContact O-N 3.49Å; N217-L219 VanDerWaalsContact C-N 3.29Å; L219-P221 WeakPolarHBondContact O-CD 2.77Å
220T77.9Confident76.2Confident78 Ų78126.6 Ų126.648%0.47969%0.685SS.*SBendtrans-78.1116.3170.248.10000108.8L216 N217 T222L216-T220 PolarHBondContact O-N 2.89Å; N217-T220 PolarHBondContact O-OG1 3.25Å; T220-T222 PolarHBondContact O-N 3.37Å
221P75.6Confident76.3Confident127 Ų127124.9 Ų124.983%0.82568%0.677SS**  trans-59.4116174.722.6-29.9000108.2L219 G223L219-P221 WeakPolarHBondContact O-CD 2.77Å; P221-G223 PolarHBondContact O-N 3.28Å
222T70.1Confident75.9Confident120 Ų120128.2 Ų128.274%0.73670%0.695SS**  trans-66.8101.9174.552.50000107.2T220 F224T220-T222 PolarHBondContact O-N 3.37Å; T222-F224 PolarHBondContact O-N 3.49Å; T222-F224 VanDerWaalsContact O-N 3.09Å
223G70.5Confident74.9Confident79 Ų79126.8 Ų126.881%0.81470%0.701SS**  trans-65107.3175.600000109.9P221P221-G223 PolarHBondContact O-N 3.28Å
224F49.8Very low74.5Confident272 Ų272128.1 Ų128.1100%1.19370%0.698SS**  trans-1110155-94.9-79.8000108T222T222-F224 PolarHBondContact O-N 3.49Å; T222-F224 VanDerWaalsContact O-N 3.09Å

Retrieved 224 of 224 residues in 102 ms (Link to these results)