A0A077Z1T3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z1T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 478 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
1M55.7Low60.6Low209 Ų209131.4 Ų131.4100%1.0365%0.648SS**  0-23.40-80.7-173.6174.400114.6
2K51.8Low60.8Low199 Ų199131.1 Ų131.187%0.86564%0.644SS**Hα-helixtrans-70.6-32176.1-69.4-175.8176.4-176.80114.2
3T60.5Low61.4Low108 Ų108123.7 Ų123.766%0.66361%0.612SS**Hα-helixtrans-69.5-34.2179.639.90000113.7A5 E7T3-A5 PolarHBondContact O-N 3.42Å; T3-E7 PolarHBondContact O-N 3.39Å
4F50.8Low61.5Low163 Ų163125.1 Ų125.172%0.71562%0.617SS**Hα-helixtrans-71.4-25.8-176.7-117.3-90.2000114.4K8F4-K8 PolarHBondContact O-N 3.32Å
5A58.5Low61.5Low65 Ų65124.4 Ų124.454%0.53762%0.622SS.*Hα-helixtrans-80.4-39.2179.600000112T3 K8 L9T3-A5 PolarHBondContact O-N 3.42Å; A5-K8 PolarHBondContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 3.26Å
6S63.5Low60.8Low86 Ų86121.1 Ų121.160%0.60161%0.61SS**Hα-helixtrans-64.4-43.5175.81760000111.5K8 L9 H10S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.02Å; S6-L9 PolarHBondContact O-N 3.43Å; S6-H10 PolarHBondContact O-N 2.87Å
7E66.1Low60Low103 Ų103125.5 Ų125.548%0.48162%0.624SS.*Hα-helixtrans-66.9-31.9-179.8-155.8177.5169.800112.6T3 R11T3-E7 PolarHBondContact O-N 3.39Å; E7-R11 PolarHBondContact O-N 3Å
8K64.7Low59.7Low148 Ų148124.4 Ų124.464%0.64362%0.616SS**Hα-helixtrans-74.2-33.6176.4-160.6172.5-174.8-179.80112.6F4 A5 S6 Q12F4-K8 PolarHBondContact O-N 3.32Å; A5-K8 PolarHBondContact O-N 3.11Å; S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.02Å; K8-Q12 PolarHBondContact O-N 3.29Å
9L60.8Low58.9Low77 Ų77126.9 Ų126.940%0.40363%0.632SS.*Hα-helixtrans-69.5-40.3174.3-136.497.7000111.1A5 S6 Q12 C13A5-L9 PolarHBondContact O-N 3.26Å; S6-L9 PolarHBondContact O-N 3.43Å; L9-Q12 PolarHBondContact O-N 3.28Å; L9-C13 PolarHBondContact O-N 3.4Å
10H66.9Low58.5Low122 Ų122122.7 Ų122.757%0.56562%0.622SS**Hα-helixtrans-63.9-43.7178.5-148.959.9000111.7S6 Q12 C13 E14S6-H10 PolarHBondContact O-N 2.87Å; H10-Q12 VanDerWaalsContact C-N 3.3Å; H10-Q12 PolarHBondContact O-N 2.93Å; H10-C13 PolarHBondContact O-N 3.01Å; H10-E14 PolarHBondContact O-N 3.49Å
11R67.6Low58Low165 Ų165121.4 Ų121.462%0.62362%0.62SS**Hα-helixtrans-63.8-31.1174.4-73.2-170.7-170.8-1554.2113.7E7 E14 T15E7-R11 PolarHBondContact O-N 3Å; R11-E14 PolarHBondContact O-N 3.31Å; R11-T15 PolarHBondContact O-OG1 3.42Å
12Q62.4Low57.5Low128 Ų128113.8 Ų113.860%0.59859%0.588SS**Hα-helixtrans-71.4-33177.1-83.3-174.7-2900112.9K8 L9 H10K8-Q12 PolarHBondContact O-N 3.29Å; L9-Q12 PolarHBondContact O-N 3.28Å; H10-Q12 VanDerWaalsContact C-N 3.3Å; H10-Q12 PolarHBondContact O-N 2.93Å
13C69Low57.1Low35 Ų35109 Ų10924%0.23658%0.575CS.*Hα-helixtrans-71.5-29.1173.4-73.80000112.4L9 H10 T15 C43L9-C13 PolarHBondContact O-N 3.4Å; H10-C13 PolarHBondContact O-N 3.01Å; C13-T15 VanDerWaalsContact C-N 3.34Å; C13-T15 PolarHBondContact O-N 3.3Å; C13-C43 HydrophobicContact CB-CB 4.12Å; C13-C43 WeakPolarHBondContact CB-SG 3.34Å; C13-C43 WeakPolarHBondContact SG-CB 3.27Å; C13-C43 CovalentContact SG-SG 2.08Å; C13-C43 PolarHBondContact SG-SG 3.36Å
14E63.3Low56.4Low144 Ų144107.5 Ų107.567%0.67356%0.562SS**Hα-helixtrans-74.1-17.8179.2-74.6-175.2148.400114.7H10 R11 V16H10-E14 PolarHBondContact O-N 3.49Å; R11-E14 PolarHBondContact O-N 3.31Å; E14-V16 PolarHBondContact O-N 3.25Å
15T60.5Low56.3Low114 Ų114105.1 Ų105.170%0.69957%0.572SS**THydrogen-bonded Turntrans-89-2.2-169.4-35.60000114R11 C13 K17R11-T15 PolarHBondContact O-OG1 3.42Å; C13-T15 VanDerWaalsContact C-N 3.34Å; C13-T15 PolarHBondContact O-N 3.3Å; T15-K17 PolarHBondContact O-N 3.07Å
16V50.9Low56.5Low71 Ų71107 Ų10743%0.4358%0.578SS.*  trans-96.386.6-176.4-1680000111E14 F18 F39E14-V16 PolarHBondContact O-N 3.25Å; V16-F18 HydrophobicContact CB-CE2 4.35Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE2 3.33Å; V16-F18 HydrophobicContact CG1-CZ 3.89Å; V16-F18 PolarHBondContact O-N 3.18Å; V16-F39 HydrophobicContact CG2-CZ 4.37Å
17K47.1Very low56.3Low196 Ų196106.2 Ų106.285%0.85258%0.583SS**  trans-80.2107.8168.9-79.2-175.9177.7178.40110.3T15T15-K17 PolarHBondContact O-N 3.07Å
18F54.9Low55.9Low106 Ų106107.6 Ų107.647%0.46559%0.589SS.*  trans-82.2115.1172.1-79.7-87.1000111V16V16-F18 HydrophobicContact CB-CE2 4.35Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE2 3.33Å; V16-F18 HydrophobicContact CG1-CZ 3.89Å; V16-F18 PolarHBondContact O-N 3.18Å
19N43.5Very low56.1Low172 Ų172106.9 Ų106.992%0.9259%0.588SS**  trans-103.647.3170.5-87-1.1000111.6
20G52.4Low56.9Low42 Ų42104.8 Ų104.843%0.43358%0.577SS.*SBendtrans-155.4140.2-178.900000113.3
21T46.4Very low57.7Low96 Ų96102.3 Ų102.359%0.58957%0.571SS**  trans-80.7118.9166.341.60000109.1P32T21-P32 HydrophobicContact CG2-CG 4.49Å
22S46.8Very low58Low50 Ų5098.1 Ų98.135%0.3557%0.565SS.*  trans-111.2131.9171.455.50000110.7H35S22-H35 PolarHBondContact OG-NE2 3.49Å
23T41.8Very low58.7Low99 Ų9995 Ų9561%0.60756%0.561SS**BIsolated β-bridgetrans-88.1116.6172.4-39.50000108.6
24I47.2Very low59.2Low76 Ų7697.4 Ų97.439%0.3957%0.569SS.*  trans-78.9148172.8-59.2-178.8000108.3T26 G27 L30I24-T26 PolarHBondContact O-N 3.32Å; I24-G27 PolarHBondContact O-N 3.36Å; I24-G27 VanDerWaalsContact O-N 3.14Å; I24-L30 HydrophobicContact CD1-CD1 3.67Å; I24-L30 HydrophobicContact CG1-CD1 4.48Å
25A48.9Very low59.8Low112 Ų11292.5 Ų92.593%0.92655%0.546SS*.THydrogen-bonded Turntrans-56.67.4-176.300000116.5
26T61.7Low60.6Low105 Ų10590.1 Ų90.164%0.64453%0.534SS*.THydrogen-bonded Turntrans-100.98.4174.2490000113.5I24 Q28I24-T26 PolarHBondContact O-N 3.32Å; T26-Q28 PolarHBondContact O-N 2.87Å; T26-Q28 VanDerWaalsContact O-N 3.16Å
27G58.8Low62Low69 Ų6994.3 Ų94.371%0.71155%0.546SS*.SBendtrans70.48176.700000114.5I24I24-G27 PolarHBondContact O-N 3.36Å; I24-G27 VanDerWaalsContact O-N 3.14Å
28Q59Low63.5Low132 Ų13288.1 Ų88.162%0.61753%0.525SS*.  trans-94.5121.8177-69.7-170.7-16.800110.7T26 L30T26-Q28 PolarHBondContact O-N 2.87Å; T26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-L30 PolarHBondContact O-N 3.47Å
29H68.5Low64.7Low133 Ų13386 Ų8662%0.61652%0.516SS*.BIsolated β-bridgetrans-78.9100174.5-149.6-77.8000108.6
30L77.2Confident66.5Low33 Ų3381.4 Ų81.417%0.17349%0.491CS..  trans-83.4131.6175.7-67.9170.8000109.8I24 Q28 Q34I24-L30 HydrophobicContact CD1-CD1 3.67Å; I24-L30 HydrophobicContact CG1-CD1 4.48Å; Q28-L30 PolarHBondContact O-N 3.47Å; L30-Q34 HydrophobicContact CB-CB 4.1Å; L30-Q34 HydrophobicContact CD2-CB 3.83Å; L30-Q34 HydrophobicContact CD2-CG 4.26Å; L30-Q34 HydrophobicContact CG-CB 4.47Å
31T84.5Confident67.9Low71 Ų7182.2 Ų82.244%0.43649%0.494SS..  trans-66153.6170.1580000110.2A33 Q34 H35T31-A33 PolarHBondContact O-N 3.32Å; T31-Q34 WeakPolarHBondContact O-CA 3.39Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.23Å; T31-Q34 PolarHBondContact OG1-OE1 3.04Å; T31-H35 PolarHBondContact O-N 3.06Å; T31-H35 VanDerWaalsContact O-N 3.08Å
32P72.6Confident69.5Low76 Ų7683.4 Ų83.449%0.49449%0.492SS..Hα-helixtrans-51.6-32.7175.1-2834.9000113.6T21 H35 S36T21-P32 HydrophobicContact CG2-CG 4.49Å; P32-H35 PolarHBondContact O-N 2.88Å; P32-S36 PolarHBondContact O-N 3.47Å; P32-S36 VanDerWaalsContact O-N 3.09Å
33A77.7Confident71.2Confident64 Ų6482.2 Ų82.253%0.52948%0.484SS..Hα-helixtrans-67.7-36.4175.200000113.3T31 K37T31-A33 PolarHBondContact O-N 3.32Å; A33-K37 WeakPolarHBondContact O-CG 3.41Å; A33-K37 PolarHBondContact O-N 2.88Å
34Q79.9Confident73Confident85 Ų8581.9 Ų81.940%0.39748%0.478SS..Hα-helixtrans-70.4-38.9174.1-73.3167.2-51.100111.1L30 T31 S36 K37 T38L30-Q34 HydrophobicContact CB-CB 4.1Å; L30-Q34 HydrophobicContact CD2-CB 3.83Å; L30-Q34 HydrophobicContact CD2-CG 4.26Å; L30-Q34 HydrophobicContact CG-CB 4.47Å; T31-Q34 WeakPolarHBondContact O-CA 3.39Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.23Å; T31-Q34 PolarHBondContact OG1-OE1 3.04Å; Q34-S36 VanDerWaalsContact C-N 3.33Å; Q34-S36 PolarHBondContact O-N 2.92Å; Q34-K37 PolarHBondContact O-N 3.46Å; Q34-T38 PolarHBondContact O-N 2.99Å; Q34-T38 PolarHBondContact O-OG1 2.67Å; Q34-T38 VanDerWaalsContact O-OG1 3.05Å
35H74.9Confident74.6Confident41 Ų4184.5 Ų84.519%0.1949%0.489CS..Hα-helixtrans-61.3-42.2177.2-141.3-103.6000111.9S22 T31 P32 T38 F39S22-H35 PolarHBondContact OG-NE2 3.49Å; T31-H35 PolarHBondContact O-N 3.06Å; T31-H35 VanDerWaalsContact O-N 3.08Å; P32-H35 PolarHBondContact O-N 2.88Å; H35-T38 PolarHBondContact O-N 2.69Å; H35-F39 WeakPolarHBondContact O-CB 3.29Å; H35-F39 PolarHBondContact O-N 3.42Å
36S77.2Confident75.6Confident63 Ų6384.6 Ų84.644%0.44147%0.469SS..Hα-helixtrans-63-41.8174.6176.10000112.6P32 Q34 F39 N40P32-S36 PolarHBondContact O-N 3.47Å; P32-S36 VanDerWaalsContact O-N 3.09Å; Q34-S36 VanDerWaalsContact C-N 3.33Å; Q34-S36 PolarHBondContact O-N 2.92Å; S36-F39 PolarHBondContact O-N 3.22Å; S36-N40 WeakPolarHBondContact O-CB 3.28Å; S36-N40 VanDerWaalsContact O-CG 3.28Å; S36-N40 PolarHBondContact O-N 2.64Å; S36-N40 PolarHBondContact O-ND2 3.41Å
37K80.3Confident76.3Confident159 Ų15981.3 Ų81.369%0.69145%0.453SS*.Hα-helixtrans-65.4-42.9176.8-74.7-178.2179.7-176.50112.6A33 Q34 N40 A41A33-K37 WeakPolarHBondContact O-CG 3.41Å; A33-K37 PolarHBondContact O-N 2.88Å; Q34-K37 PolarHBondContact O-N 3.46Å; K37-N40 PolarHBondContact O-N 3.38Å; K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 2.03Å
38T80Confident77.3Confident67 Ų6785 Ų8541%0.41145%0.449SS..Hα-helixtrans-66.1-40.8178.4-53.10000111.5Q34 H35 A41 Q42Q34-T38 PolarHBondContact O-N 2.99Å; Q34-T38 PolarHBondContact O-OG1 2.67Å; Q34-T38 VanDerWaalsContact O-OG1 3.05Å; H35-T38 PolarHBondContact O-N 2.69Å; T38-A41 PolarHBondContact O-N 3.48Å; T38-Q42 WeakPolarHBondContact O-CG 3.21Å; T38-Q42 PolarHBondContact O-N 3.39Å
39F78.8Confident78Confident60 Ų6084 Ų8426%0.26344%0.444SS..Hα-helixtrans-63.8-45.9176-176.6-98.2000112.2V16 H35 S36 A41 Q42 C43V16-F39 HydrophobicContact CG2-CZ 4.37Å; H35-F39 WeakPolarHBondContact O-CB 3.29Å; H35-F39 PolarHBondContact O-N 3.42Å; S36-F39 PolarHBondContact O-N 3.22Å; F39-A41 VanDerWaalsContact C-N 3.34Å; F39-A41 PolarHBondContact O-N 2.91Å; F39-Q42 PolarHBondContact O-N 3.19Å; F39-C43 PolarHBondContact O-N 3.19Å
40N81.1Confident77.9Confident77 Ų7783.4 Ų83.441%0.41244%0.442SS..Hα-helixtrans-62.6-40.8177-73.3-13.2000111.9S36 K37 Q42 C43 D44S36-N40 WeakPolarHBondContact O-CB 3.28Å; S36-N40 VanDerWaalsContact O-CG 3.28Å; S36-N40 PolarHBondContact O-N 2.64Å; S36-N40 PolarHBondContact O-ND2 3.41Å; K37-N40 PolarHBondContact O-N 3.38Å; N40-Q42 VanDerWaalsContact C-N 3.32Å; N40-Q42 PolarHBondContact O-N 2.98Å; N40-C43 PolarHBondContact O-N 2.63Å; N40-D44 PolarHBondContact O-N 3.11Å
41A82.6Confident77.6Confident58 Ų5888.7 Ų88.748%0.47947%0.47SS..Hα-helixtrans-63.3-36.7175.200000112.7K37 T38 F39 Q45K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 2.03Å; T38-A41 PolarHBondContact O-N 3.48Å; F39-A41 VanDerWaalsContact C-N 3.34Å; F39-A41 PolarHBondContact O-N 2.91Å; A41-Q45 WeakPolarHBondContact O-CB 2.82Å; A41-Q45 PolarHBondContact O-N 2.98Å
42Q80.8Confident76.9Confident121 Ų12191.8 Ų91.857%0.56548%0.484SS*.Hα-helixtrans-69-41.5174-76.8-179.7-26.400112.2T38 F39 N40 D44 Q45 F46T38-Q42 WeakPolarHBondContact O-CG 3.21Å; T38-Q42 PolarHBondContact O-N 3.39Å; F39-Q42 PolarHBondContact O-N 3.19Å; N40-Q42 VanDerWaalsContact C-N 3.32Å; N40-Q42 PolarHBondContact O-N 2.98Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.3Å; Q42-Q45 PolarHBondContact O-N 2.89Å; Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.44Å
43C81.8Confident76.4Confident25 Ų2594.2 Ų94.217%0.16949%0.493CS..Hα-helixtrans-57.7-46.2172.5-86.30000111.1C13 F39 N40 F46 A47C13-C43 HydrophobicContact CB-CB 4.12Å; C13-C43 WeakPolarHBondContact CB-SG 3.34Å; C13-C43 WeakPolarHBondContact SG-CB 3.27Å; C13-C43 CovalentContact SG-SG 2.08Å; C13-C43 PolarHBondContact SG-SG 3.36Å; F39-C43 PolarHBondContact O-N 3.19Å; N40-C43 PolarHBondContact O-N 2.63Å; C43-F46 PolarHBondContact O-N 3.35Å; C43-A47 WeakPolarHBondContact O-CB 3.45Å; C43-A47 PolarHBondContact O-N 2.96Å
44D79.5Confident75Confident92 Ų9294.4 Ų94.449%0.49250%0.501SS..Hα-helixtrans-66-39179-79.5-15.2000112.9N40 Q42 F46 K48N40-D44 PolarHBondContact O-N 3.11Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.3Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.38Å; D44-K48 VanDerWaalsContact O-N 3.09Å
45Q80.6Confident73.3Confident131 Ų13195.3 Ų95.361%0.61252%0.523SS*.Hα-helixtrans-65.5-39.1176.5-167.9179.12.100111.3A41 Q42 K48 Q49A41-Q45 WeakPolarHBondContact O-CB 2.82Å; A41-Q45 PolarHBondContact O-N 2.98Å; Q42-Q45 PolarHBondContact O-N 2.89Å; Q45-K48 PolarHBondContact O-N 2.88Å; Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 PolarHBondContact O-N 2.81Å
46F70.2Confident71.8Confident114 Ų114101.3 Ų101.350%0.555%0.553SS.*Hα-helixtrans-71.3-37.3179-146.9-92.2000112.3Q42 C43 D44 Q49 Q50Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.44Å; C43-F46 PolarHBondContact O-N 3.35Å; D44-F46 VanDerWaalsContact C-N 3.33Å; F46-Q49 PolarHBondContact O-N 3.06Å; F46-Q50 PolarHBondContact O-N 3.36Å; F46-Q50 VanDerWaalsContact O-N 3.11Å
47A76.7Confident70Confident37 Ų37104.3 Ų104.331%0.30658%0.575SS.*Hα-helixtrans-60.7-45.2172.500000111.4C43 Q49 Q50 D51C43-A47 WeakPolarHBondContact O-CB 3.45Å; C43-A47 PolarHBondContact O-N 2.96Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 2.96Å; A47-Q50 PolarHBondContact O-N 3.03Å; A47-D51 PolarHBondContact O-N 3.33Å
48K79.4Confident68.1Low147 Ų147104.6 Ų104.664%0.63958%0.576SS**Hα-helixtrans-64.4-32.1175.4-72.7174.2-179.1174.80113.2D44 Q45 N52D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.38Å; D44-K48 VanDerWaalsContact O-N 3.09Å; Q45-K48 PolarHBondContact O-N 2.88Å; K48-N52 PolarHBondContact O-N 3.05Å
49Q72.9Confident66.6Low111 Ų111106.1 Ų106.152%0.51959%0.59SS.*Hα-helixtrans-75.2-28.1179.1-163.6164.63.900112.8Q45 F46 A47 N53Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 PolarHBondContact O-N 2.81Å; F46-Q49 PolarHBondContact O-N 3.06Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 2.96Å; Q49-N53 PolarHBondContact O-ND2 3.4Å
50Q66.8Low65.3Low119 Ų119114.2 Ų114.256%0.55662%0.618SS**Hα-helixtrans-70.8-40.3171.4-81.6-115.6-16.500112.6F46 A47 N52 N53F46-Q50 PolarHBondContact O-N 3.36Å; F46-Q50 VanDerWaalsContact O-N 3.11Å; A47-Q50 PolarHBondContact O-N 3.03Å; Q50-N52 VanDerWaalsContact C-N 3.26Å; Q50-N52 PolarHBondContact O-N 3.4Å; Q50-N53 PolarHBondContact O-N 3.18Å
51D71.1Confident63.8Low145 Ų145118.1 Ų118.178%0.77563%0.634SS**Hα-helixtrans-66.8-27.6179.5-79.9-23.5000113A47A47-D51 PolarHBondContact O-N 3.33Å
52N69.8Low62.3Low136 Ų136122.7 Ų122.773%0.72765%0.645SS**Hα-helixtrans-82.9-16.3177.5-76.4-21.5000114.2K48 Q50 G54K48-N52 PolarHBondContact O-N 3.05Å; Q50-N52 VanDerWaalsContact C-N 3.26Å; Q50-N52 PolarHBondContact O-N 3.4Å; N52-G54 PolarHBondContact O-N 3.24Å
53N62.6Low61.1Low126 Ų126120.1 Ų120.167%0.67464%0.641SS**SBendtrans-94.968.4178.7-74.9-18.5000110.5Q49 Q50Q49-N53 PolarHBondContact O-ND2 3.4Å; Q50-N53 PolarHBondContact O-N 3.18Å
54G48.7Very low59.8Low69 Ų69122.2 Ų122.271%0.71166%0.66SS**  trans-62.2131173.100000112.6N52N52-G54 PolarHBondContact O-N 3.24Å
55A43.3Very low58.7Low104 Ų104122.9 Ų122.986%0.8666%0.662SS**  trans65.970.4161.500000117.9
56M43.4Very low57.6Low166 Ų166119.5 Ų119.582%0.81866%0.656SS**  trans-121.1114.4146.9-76.4-166.2-168.900110.1F58M56-F58 HydrophobicContact CB-CD2 4.36Å; M56-F58 PolarHBondContact O-N 3.31Å; M56-F58 VanDerWaalsContact O-N 3.13Å
57S39.7Very low56.6Low127 Ų127121.3 Ų121.389%0.88866%0.66SS**  trans-71.910017264.70000109.3
58F41.4Very low56Low165 Ų165122.8 Ų122.872%0.72467%0.668SS**  trans-101.7127.7168.4-101.7-88.6000110.8M56M56-F58 HydrophobicContact CB-CD2 4.36Å; M56-F58 PolarHBondContact O-N 3.31Å; M56-F58 VanDerWaalsContact O-N 3.13Å
59S47Very low55.1Low99 Ų99121.1 Ų121.169%0.69267%0.665SS**  trans-58.2132.5178-172.20000111H61S59-H61 PolarHBondContact O-N 2.94Å
60R51.6Low54.7Low230 Ų230119.5 Ų119.587%0.86867%0.666SS**THydrogen-bonded Turntrans-657.9-162.1-87-178.3173.8-178.7-1117.4
61H49.2Very low54.7Low158 Ų158118.5 Ų118.573%0.73166%0.664SS**THydrogen-bonded Turntrans-122.7-12.1-169.8-126.9-77.7000116.3S59S59-H61 PolarHBondContact O-N 2.94Å
62E51.2Low54.1Low155 Ų155114.1 Ų114.172%0.72465%0.647SS**SBendtrans-100.6-15-175.5-66-164.9153.600114.4
63S57.2Low53.4Low67 Ų67110.3 Ų110.347%0.46964%0.635SS.*Hα-helixtrans-81.9-23.4-179.349.70000114.2W67S63-W67 PolarHBondContact O-N 3.06Å
64A52.8Low53.3Low69 Ų69110.4 Ų110.457%0.5764%0.635SS**Hα-helixtrans-72.1-33.7-177.100000113.4S68A64-S68 PolarHBondContact O-N 3.43Å
65I56.7Low53.9Low106 Ų106112.2 Ų112.254%0.54463%0.628SS.*Hα-helixtrans-76.7-40.4-178-58.9174.5000110.2W67 S68 I69I65-W67 VanDerWaalsContact C-N 3.29Å; I65-W67 PolarHBondContact O-N 3.45Å; I65-S68 PolarHBondContact O-N 3.21Å; I65-S68 PolarHBondContact O-OG 2.95Å; I65-I69 HydrophobicContact CG2-CD1 4.4Å; I65-I69 PolarHBondContact O-N 3.11Å
66A57Low54.5Low59 Ų59112.9 Ų112.949%0.48862%0.621SS.*Hα-helixtrans-63.3-32.6175.400000113
67W50.5Low55.2Low152 Ų152111.2 Ų111.258%0.57662%0.62SS**Hα-helixtrans-73-32.9176.4-85.562.4000113.4S63 I65 I71S63-W67 PolarHBondContact O-N 3.06Å; I65-W67 VanDerWaalsContact C-N 3.29Å; I65-W67 PolarHBondContact O-N 3.45Å; W67-I71 WeakPolarHBondContact O-CG1 3.02Å; W67-I71 PolarHBondContact O-N 2.97Å
68S63.9Low56.1Low68 Ų68108.6 Ų108.648%0.47660%0.601SS.*Hα-helixtrans-70-32.7179.167.80000113.6A64 I65 A72A64-S68 PolarHBondContact O-N 3.43Å; I65-S68 PolarHBondContact O-N 3.21Å; I65-S68 PolarHBondContact O-OG 2.95Å; S68-A72 PolarHBondContact O-N 2.77Å
69I60.5Low56.5Low112 Ų112108.6 Ų108.657%0.57460%0.603SS**Hα-helixtrans-75.8-37.2-178.9-63171.4000111.2I65 A72 A73I65-I69 HydrophobicContact CG2-CD1 4.4Å; I65-I69 PolarHBondContact O-N 3.11Å; I69-A72 PolarHBondContact O-N 3.06Å; I69-A73 WeakPolarHBondContact O-CB 2.93Å; I69-A73 PolarHBondContact O-N 2.99Å
70S63.7Low56.2Low77 Ų77107.3 Ų107.354%0.53861%0.606SS.*Hα-helixtrans-68.8-34.6177.2-720000113.3L74S70-L74 PolarHBondContact O-N 3.47Å
71I66.8Low56Low99 Ų99104.5 Ų104.551%0.50861%0.606SS.*Hα-helixtrans-72-38.5176.4-64.4171.3000110.7W67 L74 L75W67-I71 WeakPolarHBondContact O-CG1 3.02Å; W67-I71 PolarHBondContact O-N 2.97Å; I71-L74 PolarHBondContact O-N 3.14Å; I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.3Å; I71-L75 PolarHBondContact O-N 3.29Å
72A58.6Low55.7Low52 Ų52105.1 Ų105.143%0.4361%0.614SS.*Hα-helixtrans-66.3-37.417500000112.5S68 I69 L74 L75 V76S68-A72 PolarHBondContact O-N 2.77Å; I69-A72 PolarHBondContact O-N 3.06Å; A72-L74 PolarHBondContact O-N 2.93Å; A72-L75 PolarHBondContact O-N 2.98Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 2.8Å; A72-V76 VanDerWaalsContact O-N 3.15Å
73A56.7Low55.9Low57 Ų57103 Ų10347%0.47161%0.613SS.*Hα-helixtrans-66.1-3517600000112.9I69 V77I69-A73 WeakPolarHBondContact O-CB 2.93Å; I69-A73 PolarHBondContact O-N 2.99Å; A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.81Å
74L60Low55.2Low128 Ų128104.7 Ų104.767%0.6762%0.623SS**Hα-helixtrans-71.3-30.5175.4-82.2160.1000113.1S70 I71 A72 S78S70-L74 PolarHBondContact O-N 3.47Å; I71-L74 PolarHBondContact O-N 3.14Å; A72-L74 PolarHBondContact O-N 2.93Å; L74-S78 PolarHBondContact O-OG 2.01Å
75L60.8Low54.7Low107 Ų107108.6 Ų108.656%0.5663%0.634SS**Hα-helixtrans-77.5-29177.1-72.3169.3000113.1I71 A72 S78I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.3Å; I71-L75 PolarHBondContact O-N 3.29Å; A72-L75 PolarHBondContact O-N 2.98Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 2.65Å
76V56.4Low54.5Low118 Ų118113.1 Ų113.172%0.71565%0.65SS**Hα-helixtrans-76.8-26.8176.3174.80000112.2A72 S78A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 2.8Å; A72-V76 VanDerWaalsContact O-N 3.15Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.91Å
77V57.2Low54.1Low131 Ų131119.4 Ų119.479%0.79467%0.669SS**THydrogen-bonded Turntrans-76.3-17.2176.6173.80000112.6A73A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.81Å
78S58.3Low54.3Low71 Ų71121.8 Ų121.850%0.49768%0.684SS.*THydrogen-bonded Turntrans-97.6-3.5-174.9340000114.7L74 L75 V76L74-S78 PolarHBondContact O-OG 2.01Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 2.65Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.91Å
79H50.2Low54Low165 Ų165127.3 Ų127.376%0.76470%0.702SS**  trans-127.777.8-178.9-69.211.1000111.3
80G41.2Very low53.2Low73 Ų73128.1 Ų128.175%0.75372%0.715SS**  trans-153.770.7176.700000112.3
81I46.2Very low52.7Low170 Ų170132.6 Ų132.687%0.87273%0.732SS**  trans-136.5114170.3-57178.3000108.1
82L43.4Very low51.7Low171 Ų171134.5 Ų134.590%0.89574%0.738SS**  trans-130.6135161.8-97.9156.7000107.7
83P55.5Low50.8Low110 Ų110140 Ų14071%0.71475%0.753SS**  trans-92161.4-164.337.1-34000112.7
84P43Very low50.3Low104 Ų104144 Ų14468%0.67577%0.772SS**  trans-101.1162.317339.4-31.6000113
85N42.8Very low49.4Very low150 Ų150143.4 Ų143.480%0.80277%0.773SS**  trans90.6116.6157.4-52.8-20.5000118.8
86K52.2Low48.7Very low201 Ų201145.8 Ų145.887%0.87478%0.781SS**  trans-153.6115.6133.2-102171.5-168.7-173.90109.9
87E49Very low48.3Very low192 Ų192147.1 Ų147.190%0.89778%0.784SS**  trans-85.3141.2176.7-162.4166.8-158.700108.5
88F53.6Low47.7Very low201 Ų201145.2 Ų145.288%0.88278%0.783SS**  trans-135.8127.4172.2-103.5-83.3000109.6
89E56.8Low47.3Very low185 Ų185148.6 Ų148.686%0.86480%0.795SS**PPolyproline II helixtrans-65.5157.5175.1-79.3-160.2139.500114
90P44.5Very low47.1Very low128 Ų128149.6 Ų149.683%0.83180%0.797SS**PPolyproline II helixtrans-99.4138.3171.336.1-26.4000112.9
91L52.9Low47.3Very low172 Ų172155.6 Ų155.690%0.90181%0.806SS**PPolyproline II helixtrans-99.6145.8173-160.974.4000112.2
92E46.2Very low47.1Very low138 Ų138156.6 Ų156.665%0.64580%0.804SS**PPolyproline II helixtrans-46.5151.9-174.8-97.8-179.3119.400121.6
93K40.8Very low47.2Very low168 Ų168153.7 Ų153.773%0.7379%0.793SS**  trans48.6124.5136.7-75.2174.8-179.5148.20120.7
94T45.2Very low46.9Very low142 Ų142156.6 Ų156.687%0.87180%0.796SS**  -154.4133.6110.3-20.20000112.2
95T40.6Very low46.9Very low115 Ų115158.8 Ų158.871%0.70680%0.803SS**  trans-72.4139.5168.335.50000112.3
96H46.9Very low47Very low157 Ų157156 Ų15673%0.72780%0.8SS**  173.5141.9113.1-112.4-91.2000113.5
97D46.8Very low46.6Very low145 Ų145153.8 Ų153.878%0.77580%0.798SS**  trans81.1132.4147.4-69.9-34.3000124.9
98A44.6Very low46.4Very low92 Ų92151.8 Ų151.876%0.7679%0.793SS**  trans-78.9154.8-179.400000112
99D50.9Low46.4Very low142 Ų142149.8 Ų149.876%0.75979%0.79SS**  -174.2161.399.5-144.4-14.3000111
100K46Very low46.2Very low185 Ų185147.6 Ų147.680%0.80478%0.783SS**  trans-53.2141.2-173.5-63151179.3169.30115.1
101Q44.4Very low46.6Very low199 Ų199146 Ų14693%0.9377%0.773SS**  -153.6138122.1-127164.55.800114.3
102K42.1Very low46.8Very low192 Ų192142.7 Ų142.784%0.83576%0.756SS**  trans-81.3159.6-178.7-165178.1-172.7-176.90108.1
103V46.7Very low47.6Very low109 Ų109141 Ų14166%0.66176%0.755SS**  trans121.5117.6147-176.20000117.1
104H48Very low49Very low172 Ų172142.1 Ų142.180%0.79675%0.754SS**  trans74.498154.1-63.1-38000123.4
105N43.8Very low49.9Very low150 Ų150140.2 Ų140.280%0.80274%0.739SS**  42.8104106.3-152.932.1000119.6
106A44.5Very low51.2Low90 Ų90138.5 Ų138.574%0.74473%0.728SS**  trans-172122.8133.400000110.1D108A106-D108 PolarHBondContact O-N 2.88Å
107N44.7Very low52.5Low155 Ų155137.3 Ų137.383%0.82972%0.723SS**  trans-77.2109.2172.4-77.2-38.3000109.6
108D44.8Very low53.7Low150 Ų150135 Ų13580%0.80271%0.71SS**  trans-105.3108.3161-97-32.6000109.5A106 I110A106-D108 PolarHBondContact O-N 2.88Å; D108-I110 VanDerWaalsContact C-N 3.31Å; D108-I110 PolarHBondContact O-N 2.93Å; D108-I110 VanDerWaalsContact O-N 3.11Å
109I52.3Low54.6Low159 Ų159133.7 Ų133.782%0.81569%0.693SS**  trans-78.887.8168.5-60.4174.2000106.2P111I109-P111 WeakPolarHBondContact O-CD 3.23Å
110I53.3Low55.5Low140 Ų140133.3 Ų133.372%0.71869%0.687SS**  trans-70.2116.3167.7-59.7174.8000106.8D108 N112D108-I110 VanDerWaalsContact C-N 3.31Å; D108-I110 PolarHBondContact O-N 2.93Å; D108-I110 VanDerWaalsContact O-N 3.11Å; I110-N112 PolarHBondContact O-N 2.82Å
111P54Low56.6Low95 Ų95129.9 Ų129.962%0.61767%0.674SS**  trans-64.4127174.925.9-30.2000108.5I109 T113I109-P111 WeakPolarHBondContact O-CD 3.23Å; P111-T113 PolarHBondContact O-N 3.29Å
112N56.1Low57.5Low102 Ų102125.3 Ų125.355%0.54565%0.652SS.*  trans-56.7112.3-178.6-157.2-4.2000108.9I110 R114 D115I110-N112 PolarHBondContact O-N 2.82Å; N112-R114 PolarHBondContact O-N 2.9Å; N112-D115 PolarHBondContact O-N 2.84Å
113T62.4Low58.4Low101 Ų101121.2 Ų121.262%0.6264%0.638SS**Hα-helixtrans-54.8-28.4-171.2-7.80000112.4P111 D115 V116 E117P111-T113 PolarHBondContact O-N 3.29Å; T113-D115 VanDerWaalsContact C-N 3.34Å; T113-D115 PolarHBondContact O-N 3.03Å; T113-V116 PolarHBondContact O-N 3.43Å; T113-E117 PolarHBondContact O-N 3.41Å
114R70.1Confident59Low192 Ų192118.3 Ų118.373%0.72563%0.626SS**Hα-helixtrans-62-33.3174.3-77.6-176.9-179.7157.61.8114.2N112 N118N112-R114 PolarHBondContact O-N 2.9Å; R114-N118 VanDerWaalsContact O-CB 3.27Å; R114-N118 WeakPolarHBondContact O-CB 3.48Å; R114-N118 PolarHBondContact O-N 2.98Å
115D63.7Low59.4Low102 Ų102114.4 Ų114.455%0.54561%0.61SS.*Hα-helixtrans-76.1-32.4-177.8-73.1-36.9000112N112 T113 T119N112-D115 PolarHBondContact O-N 2.84Å; T113-D115 VanDerWaalsContact C-N 3.34Å; T113-D115 PolarHBondContact O-N 3.03Å; D115-T119 WeakPolarHBondContact O-CB 3.49Å; D115-T119 PolarHBondContact O-N 2.94Å; D115-T119 PolarHBondContact O-OG1 3.36Å
116V69.7Low59.9Low80 Ų80110.3 Ų110.349%0.48559%0.588SS.*Hα-helixtrans-68.3-46.7174.6-179.50000109.8T113 N118 T119 Q120T113-V116 PolarHBondContact O-N 3.43Å; V116-N118 PolarHBondContact O-N 3.31Å; V116-T119 PolarHBondContact O-N 3.34Å; V116-Q120 WeakPolarHBondContact O-CB 3.5Å; V116-Q120 PolarHBondContact O-N 2.91Å
117E72.8Confident59.9Low132 Ų132111.6 Ų111.662%0.61758%0.583SS**Hα-helixtrans-61.5-42.6176.6-70.5176.8166.200112.1T113 T119 Q120 H121T113-E117 PolarHBondContact O-N 3.41Å; E117-T119 VanDerWaalsContact C-N 3.3Å; E117-T119 PolarHBondContact O-N 3.41Å; E117-Q120 PolarHBondContact O-N 3.45Å; E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.34Å; E117-H121 PolarHBondContact O-N 2.02Å
118N72.1Confident60Low95 Ų95110.8 Ų110.851%0.50857%0.574SS.*Hα-helixtrans-68.5-30.7179.2-153.514.7000112.1R114 V116 Q122R114-N118 VanDerWaalsContact O-CB 3.27Å; R114-N118 WeakPolarHBondContact O-CB 3.48Å; R114-N118 PolarHBondContact O-N 2.98Å; V116-N118 PolarHBondContact O-N 3.31Å; N118-Q122 WeakPolarHBondContact O-CB 3.45Å; N118-Q122 VanDerWaalsContact O-CG 3.29Å; N118-Q122 WeakPolarHBondContact O-CG 3.2Å; N118-Q122 PolarHBondContact O-N 3.06Å
119T64.8Low60.1Low65 Ų65112 Ų11240%0.39957%0.567SS.*Hα-helixtrans-73.6-42.5173.9-51.80000111.3D115 V116 E117 H121 Q122 I123D115-T119 WeakPolarHBondContact O-CB 3.49Å; D115-T119 PolarHBondContact O-N 2.94Å; D115-T119 PolarHBondContact O-OG1 3.36Å; V116-T119 PolarHBondContact O-N 3.34Å; E117-T119 VanDerWaalsContact C-N 3.3Å; E117-T119 PolarHBondContact O-N 3.41Å; T119-H121 VanDerWaalsContact C-N 3.33Å; T119-H121 PolarHBondContact O-N 3.31Å; T119-Q122 PolarHBondContact O-N 3.38Å; T119-I123 HydrophobicContact CG2-CD1 4.15Å; T119-I123 VanDerWaalsContact O-CG1 3.29Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.48Å
120Q68.8Low59.5Low134 Ų134112.2 Ų112.263%0.62656%0.562SS**Hα-helixtrans-61.2-42.4174.9-155.297.7-2.700111.1V116 E117 I123 A124V116-Q120 WeakPolarHBondContact O-CB 3.5Å; V116-Q120 PolarHBondContact O-N 2.91Å; E117-Q120 PolarHBondContact O-N 3.45Å; Q120-I123 PolarHBondContact O-N 3.42Å; Q120-A124 PolarHBondContact O-N 3.15Å
121H69Low58.8Low114 Ų114110.1 Ų110.153%0.52855%0.552SS.*Hα-helixtrans-65.7-40.7177.3-173.7-111.1000112.3E117 T119 A124 L125E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.34Å; E117-H121 PolarHBondContact O-N 2.02Å; T119-H121 VanDerWaalsContact C-N 3.33Å; T119-H121 PolarHBondContact O-N 3.31Å; H121-A124 PolarHBondContact O-N 3.19Å; H121-L125 WeakPolarHBondContact O-CB 2.95Å; H121-L125 WeakPolarHBondContact O-CG 2.92Å; H121-L125 PolarHBondContact O-N 3.23Å
122Q63.1Low58.2Low103 Ų103113.9 Ų113.948%0.48156%0.56SS.*Hα-helixtrans-66.1-36.9173.7-81.2-97.30.400113.1N118 T119 N126N118-Q122 WeakPolarHBondContact O-CB 3.45Å; N118-Q122 VanDerWaalsContact O-CG 3.29Å; N118-Q122 WeakPolarHBondContact O-CG 3.2Å; N118-Q122 PolarHBondContact O-N 3.06Å; T119-Q122 PolarHBondContact O-N 3.38Å; Q122-N126 PolarHBondContact O-N 2.73Å; Q122-N126 PolarHBondContact O-ND2 2.89Å
123I60.6Low57.5Low105 Ų105115 Ų11554%0.53857%0.565SS.*Hα-helixtrans-65.8-46.6174.9-68.5165.7000109.8T119 Q120 L125 N126 D127T119-I123 HydrophobicContact CG2-CD1 4.15Å; T119-I123 VanDerWaalsContact O-CG1 3.29Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.48Å; Q120-I123 PolarHBondContact O-N 3.42Å; I123-L125 PolarHBondContact O-N 3.03Å; I123-N126 PolarHBondContact O-N 2.81Å; I123-D127 PolarHBondContact O-N 2.91Å
124A61.2Low56.4Low48 Ų48120.6 Ų120.640%0.39758%0.575SS.*Hα-helixtrans-60.1-42.5176.500000112.5Q120 H121 N126 D127 H128Q120-A124 PolarHBondContact O-N 3.15Å; H121-A124 PolarHBondContact O-N 3.19Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 2.82Å; A124-D127 WeakPolarHBondContact O-CB 3.31Å; A124-D127 PolarHBondContact O-N 2.82Å; A124-H128 PolarHBondContact O-CD2 3.07Å; A124-H128 PolarHBondContact O-N 3.48Å
125L56.5Low54.8Low90 Ų90119.2 Ų119.247%0.47158%0.58SS.*Hα-helixtrans-64.2-36.5176.5-77.9169.3000112.9H121 I123 R129H121-L125 WeakPolarHBondContact O-CB 2.95Å; H121-L125 WeakPolarHBondContact O-CG 2.92Å; H121-L125 PolarHBondContact O-N 3.23Å; I123-L125 PolarHBondContact O-N 3.03Å; L125-R129 PolarHBondContact O-N 2.87Å
126N52.4Low53.7Low64 Ų64119.4 Ų119.434%0.34259%0.585SS.*Hα-helixtrans-75.4-31176.6-75.2-42.7000112.5Q122 I123 A124 H128 R129 F130Q122-N126 PolarHBondContact O-N 2.73Å; Q122-N126 PolarHBondContact O-ND2 2.89Å; I123-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 2.82Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.72Å; N126-R129 WeakPolarHBondContact O-CA 3.42Å; N126-R129 WeakPolarHBondContact O-CB 3.38Å; N126-R129 PolarHBondContact O-N 2.9Å; N126-F130 WeakPolarHBondContact O-CD2 3.47Å; N126-F130 PolarHBondContact O-N 2.99Å
127D46Very low52.1Low117 Ų117123.7 Ų123.763%0.62660%0.6SS**Hα-helixtrans-61-38173-127.623.5000111.4I123 A124 R129 F130 N131I123-D127 PolarHBondContact O-N 2.91Å; A124-D127 WeakPolarHBondContact O-CB 3.31Å; A124-D127 PolarHBondContact O-N 2.82Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.39Å; D127-F130 PolarHBondContact O-N 2.77Å; D127-N131 PolarHBondContact O-N 2.72Å
128H46.9Very low50.3Low139 Ų139124.8 Ų124.864%0.64461%0.609SS**Hα-helixtrans-66.1-28.5170.7-72.7-65.8000113.4A124 N126 N131A124-H128 PolarHBondContact O-CD2 3.07Å; A124-H128 PolarHBondContact O-N 3.48Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.72Å; H128-N131 VanDerWaalsContact O-CB 3.31Å; H128-N131 WeakPolarHBondContact O-CB 3.47Å; H128-N131 PolarHBondContact O-N 3.22Å
129R46.2Very low48.8Very low176 Ų176126.2 Ų126.266%0.66462%0.622SS**Hα-helixtrans-80.3-22-179.6-150.7175.1176.8178.8-0.1112.9L125 N126 D127 F132L125-R129 PolarHBondContact O-N 2.87Å; N126-R129 WeakPolarHBondContact O-CA 3.42Å; N126-R129 WeakPolarHBondContact O-CB 3.38Å; N126-R129 PolarHBondContact O-N 2.9Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.39Å; R129-F132 WeakPolarHBondContact O-CD2 3.2Å; R129-F132 WeakPolarHBondContact O-CE2 3.32Å
130F40.7Very low47.7Very low162 Ų162132.9 Ų132.971%0.71165%0.645SS**THydrogen-bonded Turntrans-91.72.5168.8-68.4-70.5000113.5N126 D127 F132N126-F130 WeakPolarHBondContact O-CD2 3.47Å; N126-F130 PolarHBondContact O-N 2.99Å; D127-F130 PolarHBondContact O-N 2.77Å; F130-F132 PolarHBondContact O-N 3.49Å
131N38.5Very low46.5Very low96 Ų96132.2 Ų132.251%0.51365%0.652SS.*  trans-80.954.9177.9-134.2-23.5000111.7D127 H128 N133D127-N131 PolarHBondContact O-N 2.72Å; H128-N131 VanDerWaalsContact O-CB 3.31Å; H128-N131 WeakPolarHBondContact O-CB 3.47Å; H128-N131 PolarHBondContact O-N 3.22Å; N131-N133 PolarHBondContact O-N 2.97Å; N131-N133 VanDerWaalsContact O-N 3.17Å
132F40.5Very low45.7Very low175 Ų175136.2 Ų136.277%0.76867%0.668SS**THydrogen-bonded Turntrans-77.113.6179.7-88.6-79.6000114.3R129 F130R129-F132 WeakPolarHBondContact O-CD2 3.2Å; R129-F132 WeakPolarHBondContact O-CE2 3.32Å; F130-F132 PolarHBondContact O-N 3.49Å
133N40.5Very low45Very low124 Ų124138 Ų13866%0.66369%0.686SS**THydrogen-bonded Turntrans-106.28.6-173.9-72.1-27.3000115.1N131N131-N133 PolarHBondContact O-N 2.97Å; N131-N133 VanDerWaalsContact O-N 3.17Å
134R40.3Very low44.4Very low220 Ų220141.2 Ų141.283%0.8370%0.704SS**SBendtrans-111.62.5-169.9-155.7168.6177.2-178.9-0.8117.3
135I36.8Very low43.9Very low162 Ų162143.1 Ų143.183%0.83172%0.719SS**  trans-128.578.6-177.6-49.6177.4000111.2
136V39.3Very low43.5Very low107 Ų107148.3 Ų148.365%0.64874%0.741SS**  trans-14850.9154.2-166.40000108.6R182V136-R182 PolarHBondContact O-NH1 2.81Å; V136-R182 PolarHBondContact O-NH2 2.84Å
137E37.4Very low43.5Very low169 Ų169150.4 Ų150.479%0.7976%0.761SS**  trans-76.4144.9157.4-87.5-177.1145.600108.3
138L35.5Very low43.8Very low155 Ų155151 Ų15181%0.81277%0.774SS**SBendtrans97.163.2174.3-49.7164000117.1
139T39.3Very low44.3Very low126 Ų126147.7 Ų147.777%0.77377%0.767SS**  -178.6110.4127.419.80000108.8P141T139-P141 WeakPolarHBondContact O-CD 3.22Å
140K42.2Very low44.7Very low205 Ų205144.4 Ų144.489%0.89177%0.768SS**  trans-68123.1169.7-70.2178.3178.6177.70107.5K142K140-K142 PolarHBondContact O-N 3.01Å
141P43.5Very low45.2Very low120 Ų120145.3 Ų145.378%0.77977%0.772SS**  trans-64.1123.3166.225.2-29.2000107.7T139 T143T139-P141 WeakPolarHBondContact O-CD 3.22Å; P141-T143 PolarHBondContact O-N 3.17Å; P141-T143 VanDerWaalsContact O-N 3.08Å
142K52.5Low46.1Very low198 Ų198145.8 Ų145.886%0.86177%0.774SS**  trans-58.1113.1173.3-167.8173.5-177177.90106.9K140 L144K140-K142 PolarHBondContact O-N 3.01Å; K142-L144 PolarHBondContact O-N 2.89Å
143T47.3Very low46.9Very low139 Ų139142.7 Ų142.785%0.85377%0.77SS**  trans-50.2101.7175.533.90000110.1P141P141-T143 PolarHBondContact O-N 3.17Å; P141-T143 VanDerWaalsContact O-N 3.08Å
144L49.8Very low48.2Very low174 Ų174144 Ų14491%0.91177%0.766SS**  trans-75.7130.5161.7-94.7156.6000107.8K142K142-L144 PolarHBondContact O-N 2.89Å
145A49.4Very low50Low87 Ų87136.9 Ų136.972%0.71975%0.748SS**  trans-63.3133.7-170.700000113S147A145-S147 PolarHBondContact O-N 2.84Å
146Q47.9Very low52.4Low200 Ų200130 Ų13094%0.93571%0.713SS**  trans23.494.1144.1-73.1170.7-17.200116.8
147S53.1Low54.8Low108 Ų108129.9 Ų129.976%0.75571%0.708SS**  trans-119.1129.2147.375.70000108.8A145 S149A145-S147 PolarHBondContact O-N 2.84Å; S147-S149 PolarHBondContact O-N 3.33Å
148S51.7Low57.6Low128 Ų128124.3 Ų124.390%0.89568%0.68SS**  trans-80.965.3-164.854.50000113
149S57.3Low60.4Low71 Ų71119.8 Ų119.850%0.49766%0.659SS.*  trans-106.8116.8168.270.10000111.1S147 F151S147-S149 PolarHBondContact O-N 3.33Å; S149-F151 VanDerWaalsContact C-N 3.27Å; S149-F151 PolarHBondContact O-N 3.2Å; S149-F151 VanDerWaalsContact O-N 3.08Å
150P54.1Low63Low106 Ų106120 Ų12069%0.68866%0.66SS**THydrogen-bonded Turntrans-82.528.2-169.131.6-34.7000115.6
151F53Low65.6Low181 Ų181113.8 Ų113.879%0.79463%0.631SS**THydrogen-bonded Turntrans-127.36.5-173.4-65.8-68.2000117.5S149 V153S149-F151 VanDerWaalsContact C-N 3.27Å; S149-F151 PolarHBondContact O-N 3.2Å; S149-F151 VanDerWaalsContact O-N 3.08Å; F151-V153 PolarHBondContact O-N 3.49Å
152N55.8Low68.1Low107 Ų107110.4 Ų110.457%0.57261%0.61SS**  trans-84.562170-69.2-17.8000110.6Y154N152-Y154 HydrophobicContact CB-CD2 4.07Å; N152-Y154 HydrophobicContact CB-CE2 3.63Å; N152-Y154 VanDerWaalsContact O-CD2 3.26Å; N152-Y154 WeakPolarHBondContact O-CD2 3.39Å; N152-Y154 PolarHBondContact O-N 3.38Å
153V58.7Low70.1Confident110 Ų110109.5 Ų109.567%0.66761%0.609SS**  trans-73.291.6164.8-165.30000106.2F151 T155F151-V153 PolarHBondContact O-N 3.49Å; V153-T155 HydrophobicContact CB-CG2 4.43Å; V153-T155 HydrophobicContact CG1-CG2 3.5Å; V153-T155 VanDerWaalsContact CG1-CG2 3.5Å; V153-T155 PolarHBondContact O-N 3.24Å
154Y66.7Low72.4Confident151 Ų151106 Ų10659%0.59258%0.58SS**  trans-66.269.4173.1-73.7-76.4000109.8N152 I181N152-Y154 HydrophobicContact CB-CD2 4.07Å; N152-Y154 HydrophobicContact CB-CE2 3.63Å; N152-Y154 VanDerWaalsContact O-CD2 3.26Å; N152-Y154 WeakPolarHBondContact O-CD2 3.39Å; N152-Y154 PolarHBondContact O-N 3.38Å; Y154-I181 VanDerWaalsContact C-CD1 3.46Å; Y154-I181 HydrophobicContact CD1-CD1 3.93Å; Y154-I181 HydrophobicContact CD1-CG1 4.01Å; Y154-I181 HydrophobicContact CG-CD1 4.33Å
155T78Confident74.5Confident71 Ų7199.7 Ų99.744%0.43655%0.55SS.*  trans-88.7144.6166.865.50000109.6V153 I157 I181V153-T155 HydrophobicContact CB-CG2 4.43Å; V153-T155 HydrophobicContact CG1-CG2 3.5Å; V153-T155 VanDerWaalsContact CG1-CG2 3.5Å; V153-T155 PolarHBondContact O-N 3.24Å; T155-I157 WeakPolarHBondContact O-CG1 3.42Å; T155-I157 PolarHBondContact O-N 2.89Å; T155-I181 WeakPolarHBondContact O-CD1 3.46Å
156S87.7Confident76.5Confident16 Ų16103.1 Ų103.111%0.11256%0.556CS.*  trans-57.5120.216546.40000109.9S179 H184 H185 C186S156-S179 WeakPolarHBondContact CA-O 3.31Å; S156-H184 WeakPolarHBondContact CB-O 3.37Å; S156-H185 PolarHBondContact OG-O 3.34Å; S156-C186 PolarHBondContact OG-N 2.02Å
157I90.6Very high78.7Confident106 Ų10695.9 Ų95.954%0.54453%0.527SS..EExtended strand (participates in β ladder)trans-111.4133.1-177.7-65.5163.3000109.5T155 S179 C186T155-I157 WeakPolarHBondContact O-CG1 3.42Å; T155-I157 PolarHBondContact O-N 2.89Å; I157-S179 PolarHBondContact N-O 3.22Å; I157-S179 VanDerWaalsContact N-O 3.09Å; I157-S179 PolarHBondContact O-N 2.73Å; I157-C186 VanDerWaalsContact C-SG 3.52Å; I157-C186 PolarHBondContact O-SG 3.16Å
158W95Very high80.4Confident51 Ų5197.1 Ų97.119%0.19352%0.516CS..EExtended strand (participates in β ladder)trans-68.1134.3169-75.5113.2000110.9R176 C178 C186 P187 G188 N190W158-R176 HydrophobicContact CD2-CG 4.28Å; W158-R176 VanDerWaalsContact CD2-CZ 3.44Å; W158-R176 HydrophobicContact CE3-CB 4.48Å; W158-R176 HydrophobicContact CE3-CG 3.61Å; W158-R176 VanDerWaalsContact CG-CZ 3.41Å; W158-R176 HydrophobicContact CZ3-CG 4.04Å; W158-C178 HydrophobicContact CE3-CB 4.04Å; W158-C178 HydrophobicContact CH2-CB 4.21Å; W158-C178 HydrophobicContact CZ3-CB 3.73Å; W158-C186 HydrophobicContact CD2-CB 3.57Å; W158-C186 HydrophobicContact CE3-CB 4.06Å; W158-C186 HydrophobicContact CG-CB 4.05Å; W158-C186 HydrophobicContact CH2-CB 3.88Å; W158-C186 HydrophobicContact CZ2-CB 3.38Å; W158-C186 WeakPolarHBondContact CZ2-O 3.47Å; W158-C186 HydrophobicContact CZ3-CB 4.2Å; W158-P187 PolarHBondContact NE1-O 3.07Å; W158-G188 VanDerWaalsContact CZ2-O 3.24Å; W158-G188 WeakPolarHBondContact CZ2-O 3.44Å; W158-N190 HydrophobicContact CH2-CB 3.66Å; W158-N190 HydrophobicContact CZ3-CB 3.57Å
159T94.4Very high82.2Confident61 Ų6195.1 Ų95.137%0.37449%0.491SS..PPolyproline II helixtrans-64.9164164.870.70000110.2A177T159-A177 HydrophobicContact CG2-CB 3.89Å; T159-A177 WeakPolarHBondContact CG2-O 3.35Å; T159-A177 PolarHBondContact N-O 2.91Å; T159-A177 PolarHBondContact OG1-N 3.41Å; T159-A177 PolarHBondContact OG1-O 2.99Å
160T95Very high83.9Confident130 Ų13096.1 Ų96.180%0.79849%0.491SS*.PPolyproline II helixtrans-56.8150.216753.30000110.3
161W96.7Very high85.8Confident74 Ų7495.9 Ų95.928%0.2848%0.48SS..PPolyproline II helixtrans-65.6140.8175.4-74.1102.8000111R174 R176 Q192W161-R174 HydrophobicContact CD2-CG 4.35Å; W161-R174 HydrophobicContact CE3-CB 4.49Å; W161-R174 HydrophobicContact CE3-CG 3.71Å; W161-R174 HydrophobicContact CZ3-CG 4.21Å; W161-R176 HydrophobicContact CD2-CB 4.21Å; W161-R176 HydrophobicContact CD2-CG 4.12Å; W161-R176 HydrophobicContact CE3-CB 3.92Å; W161-R176 HydrophobicContact CE3-CG 3.81Å; W161-R176 HydrophobicContact CH2-CG 3.92Å; W161-R176 HydrophobicContact CZ2-CG 4.21Å; W161-R176 VanDerWaalsContact CZ2-NE 3.31Å; W161-R176 HydrophobicContact CZ3-CB 4.29Å; W161-R176 HydrophobicContact CZ3-CG 3.71Å; W161-Q192 HydrophobicContact CH2-CB 3.75Å; W161-Q192 HydrophobicContact CZ2-CB 4.4Å; W161-Q192 HydrophobicContact CZ3-CB 3.83Å
162S95.9Very high87.8Confident49 Ų4988.9 Ų88.934%0.34345%0.45SS..PPolyproline II helixtrans-60164.5167.977.20000111.1R174 V175S162-R174 WeakPolarHBondContact OG-CA 3.4Å; S162-R174 WeakPolarHBondContact OG-CB 3.46Å; S162-V175 WeakPolarHBondContact CB-O 3.47Å; S162-V175 PolarHBondContact N-O 3.14Å; S162-V175 PolarHBondContact OG-N 3.06Å; S162-V175 PolarHBondContact OG-O 3.03Å
163H94.6Very high89.7Confident179 Ų17988.3 Ų88.383%0.82945%0.445SS*.PPolyproline II helixtrans-57.7152.7162.4-70.1-84.8000110.3
164W95.1Very high91.5Very high67 Ų6785.9 Ų85.925%0.25442%0.424SS..PPolyproline II helixtrans-65.3136.1172.3-71.597.8000109.7Q172 R174 Q192 K194W164-Q172 HydrophobicContact CB-CG 4.49Å; W164-Q172 HydrophobicContact CD2-CG 4.2Å; W164-Q172 HydrophobicContact CE3-CB 4.23Å; W164-Q172 HydrophobicContact CE3-CG 3.64Å; W164-Q172 HydrophobicContact CZ3-CG 4.22Å; W164-Q172 WeakPolarHBondContact CZ3-O 3Å; W164-R174 HydrophobicContact CD2-CB 4.17Å; W164-R174 HydrophobicContact CD2-CG 4.06Å; W164-R174 VanDerWaalsContact CE2-CD 3.43Å; W164-R174 HydrophobicContact CE3-CB 3.96Å; W164-R174 HydrophobicContact CE3-CG 3.86Å; W164-R174 HydrophobicContact CH2-CG 3.79Å; W164-R174 VanDerWaalsContact CZ2-CD 3.46Å; W164-R174 HydrophobicContact CZ2-CG 3.95Å; W164-R174 VanDerWaalsContact CZ2-NE 3.26Å; W164-R174 HydrophobicContact CZ3-CB 4.28Å; W164-R174 HydrophobicContact CZ3-CG 3.74Å; W164-Q192 HydrophobicContact CH2-CB 4.31Å; W164-Q192 HydrophobicContact CH2-CG 4Å; W164-Q192 WeakPolarHBondContact CZ3-O 3.38Å; W164-K194 VanDerWaalsContact CD1-NZ 3.34Å; W164-K194 HydrophobicContact CD2-CD 4.07Å; W164-K194 VanDerWaalsContact CD2-CE 3.44Å; W164-K194 HydrophobicContact CD2-CG 4.39Å; W164-K194 HydrophobicContact CE3-CD 4.18Å; W164-K194 HydrophobicContact CE3-CG 3.99Å; W164-K194 HydrophobicContact CH2-CB 3.87Å; W164-K194 HydrophobicContact CH2-CD 3.52Å; W164-K194 HydrophobicContact CH2-CG 3.56Å; W164-K194 HydrophobicContact CZ2-CD 3.43Å; W164-K194 VanDerWaalsContact CZ2-CD 3.43Å; W164-K194 HydrophobicContact CZ2-CG 4.02Å; W164-K194 HydrophobicContact CZ3-CB 4.1Å; W164-K194 HydrophobicContact CZ3-CD 3.91Å; W164-K194 HydrophobicContact CZ3-CG 3.55Å
165S93.5Very high93Very high40 Ų4081.8 Ų81.828%0.2842%0.415SS..PPolyproline II helixtrans-60.4164.1171.975.40000110.7Q172 M173S165-Q172 WeakPolarHBondContact O-CB 3.46Å; S165-M173 WeakPolarHBondContact CB-O 3.06Å; S165-M173 PolarHBondContact N-O 3.43Å; S165-M173 WeakPolarHBondContact OG-CG 3.34Å; S165-M173 PolarHBondContact OG-N 2.88Å; S165-M173 PolarHBondContact OG-O 3.21Å
166L92.8Very high93.8Very high159 Ų15980.9 Ų80.983%0.83240%0.404SS*.PPolyproline II helixtrans-56149.1164-64.3172.5000110.1Y168L166-Y168 PolarHBondContact O-N 3.35Å
167C93.2Very high94.2Very high49 Ų4982.9 Ų82.933%0.33142%0.421SS..PPolyproline II helixtrans-68.1120.3177-172.40000110.3Q171 C196C167-Q171 CarbonylContact C-O 3.59Å; C167-Q171 WeakPolarHBondContact CA-O 3.38Å; C167-C196 VanDerWaalsContact CA-SG 3.55Å; C167-C196 HydrophobicContact CB-CB 3.98Å; C167-C196 WeakPolarHBondContact CB-SG 3.49Å; C167-C196 WeakPolarHBondContact SG-CB 3.35Å; C167-C196 CovalentContact SG-SG 2.01Å; C167-C196 PolarHBondContact SG-SG 2.77Å
168Y87.8Confident94.4Very high133 Ų13380.1 Ų80.152%0.52241%0.41SS..BIsolated β-bridgetrans-123.7122171.9-175.7-110.6000108.7L166 N170 Q171L166-Y168 PolarHBondContact O-N 3.35Å; Y168-N170 PolarHBondContact O-N 3.42Å; Y168-Q171 PolarHBondContact N-O 3.08Å; Y168-Q171 PolarHBondContact O-N 3.09Å
169K91.2Very high94.2Very high86 Ų8680.1 Ų80.137%0.37442%0.418SS..THydrogen-bonded Turntrans49.249.8-175.2-54.1-174.9-162.3162.60114.5Q171 A475 N478K169-Q171 PolarHBondContact O-N 3.39Å; K169-A475 WeakPolarHBondContact CE-O 3.46Å; K169-A475 VanDerWaalsContact NZ-CA 3.32Å; K169-A475 PolarHBondContact NZ-O 2.7Å; K169-N478 WeakPolarHBondContact CD-OXT 3.23Å; K169-N478 PolarHBondContact NZ-OXT 2.75Å
170N92.1Very high93.9Very high93 Ų9379.7 Ų79.750%0.49742%0.421SS..THydrogen-bonded Turntrans59.215.6-176.8-61.5-28.9000114.7Y168 S195 C196Y168-N170 PolarHBondContact O-N 3.42Å; N170-S195 CarbonylContact O-C 3.57Å; N170-S195 WeakPolarHBondContact O-CA 3.45Å; N170-C196 PolarHBondContact O-N 3.43Å
171Q94Very high93.3Very high100 Ų10076.5 Ų76.547%0.46740%0.398SS..EExtended strand (participates in β ladder)trans-121.4144.2171.3-62.8-170.920.500110.6C167 Y168 K169 K194 C196C167-Q171 CarbonylContact C-O 3.59Å; C167-Q171 WeakPolarHBondContact CA-O 3.38Å; Y168-Q171 PolarHBondContact N-O 3.08Å; Y168-Q171 PolarHBondContact O-N 3.09Å; K169-Q171 PolarHBondContact O-N 3.39Å; Q171-K194 WeakPolarHBondContact CA-O 3.49Å; Q171-C196 PolarHBondContact N-SG 3.01Å
172Q95.7Very high92.7Very high34 Ų3481 Ų8116%0.15942%0.415CS..EExtended strand (participates in β ladder)trans-127.8145.7168.259.4-168.1-49.100107.6W164 S165 S193 K194W164-Q172 HydrophobicContact CB-CG 4.49Å; W164-Q172 HydrophobicContact CD2-CG 4.2Å; W164-Q172 HydrophobicContact CE3-CB 4.23Å; W164-Q172 HydrophobicContact CE3-CG 3.64Å; W164-Q172 HydrophobicContact CZ3-CG 4.22Å; W164-Q172 WeakPolarHBondContact CZ3-O 3Å; S165-Q172 WeakPolarHBondContact O-CB 3.46Å; Q172-S193 WeakPolarHBondContact O-CA 3.47Å; Q172-K194 HydrophobicContact CG-CD 4.3Å; Q172-K194 HydrophobicContact CG-CG 3.53Å; Q172-K194 PolarHBondContact N-O 2.98Å; Q172-K194 PolarHBondContact O-N 2.81Å
173M95.5Very high92.2Very high96 Ų9682 Ų8247%0.47343%0.434SS..EExtended strand (participates in β ladder)trans-122.5153-176.759.7-173.6-67.700110.5S165 V175 I191 Q192S165-M173 WeakPolarHBondContact CB-O 3.06Å; S165-M173 PolarHBondContact N-O 3.43Å; S165-M173 WeakPolarHBondContact OG-CG 3.34Å; S165-M173 PolarHBondContact OG-N 2.88Å; S165-M173 PolarHBondContact OG-O 3.21Å; M173-V175 HydrophobicContact CE-CG1 4.41Å; M173-I191 HydrophobicContact CE-CG2 4.45Å; M173-Q192 CarbonylContact C-O 3.47Å; M173-Q192 VanDerWaalsContact CA-O 3.31Å; M173-Q192 WeakPolarHBondContact CA-O 3.47Å
174R97Very high91.8Very high59 Ų5978.3 Ų78.322%0.22342%0.417CS..EExtended strand (participates in β ladder)trans-139.7155.4167.464.1177.1-174.9171.21.3109.1W161 S162 W164 Q192W161-R174 HydrophobicContact CD2-CG 4.35Å; W161-R174 HydrophobicContact CE3-CB 4.49Å; W161-R174 HydrophobicContact CE3-CG 3.71Å; W161-R174 HydrophobicContact CZ3-CG 4.21Å; S162-R174 WeakPolarHBondContact OG-CA 3.4Å; S162-R174 WeakPolarHBondContact OG-CB 3.46Å; W164-R174 HydrophobicContact CD2-CB 4.17Å; W164-R174 HydrophobicContact CD2-CG 4.06Å; W164-R174 VanDerWaalsContact CE2-CD 3.43Å; W164-R174 HydrophobicContact CE3-CB 3.96Å; W164-R174 HydrophobicContact CE3-CG 3.86Å; W164-R174 HydrophobicContact CH2-CG 3.79Å; W164-R174 VanDerWaalsContact CZ2-CD 3.46Å; W164-R174 HydrophobicContact CZ2-CG 3.95Å; W164-R174 VanDerWaalsContact CZ2-NE 3.26Å; W164-R174 HydrophobicContact CZ3-CB 4.28Å; W164-R174 HydrophobicContact CZ3-CG 3.74Å; R174-Q192 HydrophobicContact CG-CB 4.07Å; R174-Q192 PolarHBondContact N-O 3.35Å; R174-Q192 PolarHBondContact O-N 2.76Å
175V96.3Very high91.5Very high65 Ų6581.9 Ų81.939%0.39444%0.436SS..EExtended strand (participates in β ladder)trans-128.7159.7-176.5-57.50000110.5S162 M173 N190 I191S162-V175 WeakPolarHBondContact CB-O 3.47Å; S162-V175 PolarHBondContact N-O 3.14Å; S162-V175 PolarHBondContact OG-N 3.06Å; S162-V175 PolarHBondContact OG-O 3.03Å; M173-V175 HydrophobicContact CE-CG1 4.41Å; V175-N190 CarbonylContact C-O 3.6Å; V175-N190 VanDerWaalsContact CA-O 3.3Å; V175-N190 WeakPolarHBondContact CA-O 3.13Å; V175-I191 HydrophobicContact CG1-CG1 4.01Å; V175-I191 HydrophobicContact CG1-CG2 4.39Å
176R96.4Very high91.5Very high52 Ų5280.6 Ų80.620%0.19643%0.427CS..  trans-139.9149.9169.258.6178.5-179.4172.42.5109.3W158 W161 E189 N190W158-R176 HydrophobicContact CD2-CG 4.28Å; W158-R176 VanDerWaalsContact CD2-CZ 3.44Å; W158-R176 HydrophobicContact CE3-CB 4.48Å; W158-R176 HydrophobicContact CE3-CG 3.61Å; W158-R176 VanDerWaalsContact CG-CZ 3.41Å; W158-R176 HydrophobicContact CZ3-CG 4.04Å; W161-R176 HydrophobicContact CD2-CB 4.21Å; W161-R176 HydrophobicContact CD2-CG 4.12Å; W161-R176 HydrophobicContact CE3-CB 3.92Å; W161-R176 HydrophobicContact CE3-CG 3.81Å; W161-R176 HydrophobicContact CH2-CG 3.92Å; W161-R176 HydrophobicContact CZ2-CG 4.21Å; W161-R176 VanDerWaalsContact CZ2-NE 3.31Å; W161-R176 HydrophobicContact CZ3-CB 4.29Å; W161-R176 HydrophobicContact CZ3-CG 3.71Å; R176-E189 VanDerWaalsContact CZ-O 3.27Å; R176-E189 PolarHBondContact NE-O 2.96Å; R176-E189 PolarHBondContact NH2-O 2.91Å; R176-N190 PolarHBondContact N-O 2.67Å
177A95Very high91.4Very high57 Ų5778.1 Ų78.147%0.47142%0.42SS..  trans-92.5153.1175.600000110.4T159T159-A177 HydrophobicContact CG2-CB 3.89Å; T159-A177 WeakPolarHBondContact CG2-O 3.35Å; T159-A177 PolarHBondContact N-O 2.91Å; T159-A177 PolarHBondContact OG1-N 3.41Å; T159-A177 PolarHBondContact OG1-O 2.99Å
178C94.6Very high91.4Very high48 Ų4878.7 Ų78.732%0.32443%0.434SS..EExtended strand (participates in β ladder)trans-98.2119.5169.6174.90000108.9W158 A180 C186W158-C178 HydrophobicContact CE3-CB 4.04Å; W158-C178 HydrophobicContact CH2-CB 4.21Å; W158-C178 HydrophobicContact CZ3-CB 3.73Å; C178-A180 VanDerWaalsContact C-N 3.3Å; C178-A180 PolarHBondContact O-N 3.41Å; C178-A180 VanDerWaalsContact O-N 3.17Å; C178-C186 WeakPolarHBondContact CA-SG 3.3Å; C178-C186 HydrophobicContact CB-CB 3.69Å; C178-C186 WeakPolarHBondContact CB-SG 3.21Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 PolarHBondContact SG-N 3.17Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 2.86Å
179S91.8Very high91.8Very high52 Ų5279 Ų7936%0.36444%0.44SS..EExtended strand (participates in β ladder)trans-84.482.7166.1-166.10000107.7S156 I157S156-S179 WeakPolarHBondContact CA-O 3.31Å; I157-S179 PolarHBondContact N-O 3.22Å; I157-S179 VanDerWaalsContact N-O 3.09Å; I157-S179 PolarHBondContact O-N 2.73Å
180A86.9Confident92Very high52 Ų5279 Ų7943%0.4344%0.444SS..PPolyproline II helixtrans-79.8129-18000000110.5C178 H184C178-A180 VanDerWaalsContact C-N 3.3Å; C178-A180 PolarHBondContact O-N 3.41Å; C178-A180 VanDerWaalsContact O-N 3.17Å; A180-H184 WeakPolarHBondContact CB-O 3.24Å
181I83.8Confident92.2Very high62 Ų6278.4 Ų78.432%0.31844%0.441SS..PPolyproline II helixtrans-77.1145.6158.1-67.2116.2000107.8Y154 T155 G183 H184Y154-I181 VanDerWaalsContact C-CD1 3.46Å; Y154-I181 HydrophobicContact CD1-CD1 3.93Å; Y154-I181 HydrophobicContact CD1-CG1 4.01Å; Y154-I181 HydrophobicContact CG-CD1 4.33Å; T155-I181 WeakPolarHBondContact O-CD1 3.46Å; I181-G183 PolarHBondContact O-N 3.25Å; I181-H184 PolarHBondContact O-N 2.9Å
182R83.3Confident92.3Very high168 Ų16877 Ų7763%0.63443%0.434SS*.THydrogen-bonded Turntrans-46.2116.9-178.1-169.6-177-179.5125.88110.8V136V136-R182 PolarHBondContact O-NH1 2.81Å; V136-R182 PolarHBondContact O-NH2 2.84Å
183G85.5Confident92.4Very high72 Ų7279.1 Ų79.174%0.74245%0.453SS*.THydrogen-bonded Turntrans94-3.9-179.100000116.1I181I181-G183 PolarHBondContact O-N 3.25Å
184H85.6Confident92.4Very high101 Ų10178.5 Ų78.547%0.46845%0.447SS..  trans-119123.9179.2-65-83.9000111.5S156 A180 I181S156-H184 WeakPolarHBondContact CB-O 3.37Å; A180-H184 WeakPolarHBondContact CB-O 3.24Å; I181-H184 PolarHBondContact O-N 2.9Å
185H89.7Confident92.3Very high141 Ų14180.2 Ų80.265%0.65347%0.468SS*.PPolyproline II helixtrans-92.7146.2172.2-60.1-66.5000110.1S156S156-H185 PolarHBondContact OG-O 3.34Å
186C93.1Very high92.2Very high13 Ų1378 Ų789%0.08846%0.455CS..PPolyproline II helixtrans-73.2128.5172.9-59.90000109S156 I157 W158 C178 G188S156-C186 PolarHBondContact OG-N 2.02Å; I157-C186 VanDerWaalsContact C-SG 3.52Å; I157-C186 PolarHBondContact O-SG 3.16Å; W158-C186 HydrophobicContact CD2-CB 3.57Å; W158-C186 HydrophobicContact CE3-CB 4.06Å; W158-C186 HydrophobicContact CG-CB 4.05Å; W158-C186 HydrophobicContact CH2-CB 3.88Å; W158-C186 HydrophobicContact CZ2-CB 3.38Å; W158-C186 WeakPolarHBondContact CZ2-O 3.47Å; W158-C186 HydrophobicContact CZ3-CB 4.2Å; C178-C186 WeakPolarHBondContact CA-SG 3.3Å; C178-C186 HydrophobicContact CB-CB 3.69Å; C178-C186 WeakPolarHBondContact CB-SG 3.21Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 PolarHBondContact SG-N 3.17Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 2.86Å; C186-G188 PolarHBondContact O-N 2.89Å
187P91.8Very high91.7Very high107 Ų10787 Ų8770%0.69549%0.49SS*.SBendtrans-73.1127.9178.727.5-32.9000111.2W158W158-P187 PolarHBondContact NE1-O 3.07Å
188G93.3Very high90.8Very high61 Ų6192.6 Ų92.663%0.62950%0.503SS*.SBendtrans115-173.6173.500000114.7W158 C186W158-G188 VanDerWaalsContact CZ2-O 3.24Å; W158-G188 WeakPolarHBondContact CZ2-O 3.44Å; C186-G188 PolarHBondContact O-N 2.89Å
189E95Very high89.3Confident139 Ų13994.8 Ų94.865%0.6552%0.517SS*.  trans-81.2140.2-176.9-63.2175.9173.600111.8R176R176-E189 VanDerWaalsContact CZ-O 3.27Å; R176-E189 PolarHBondContact NE-O 2.96Å; R176-E189 PolarHBondContact NH2-O 2.91Å
190N95.7Very high87.8Confident86 Ų8698.2 Ų98.246%0.4653%0.53SS..SBendtrans-93.4-8.8173.362.9-21.6000113.2W158 V175 R176W158-N190 HydrophobicContact CH2-CB 3.66Å; W158-N190 HydrophobicContact CZ3-CB 3.57Å; V175-N190 CarbonylContact C-O 3.6Å; V175-N190 VanDerWaalsContact CA-O 3.3Å; V175-N190 WeakPolarHBondContact CA-O 3.13Å; R176-N190 PolarHBondContact N-O 2.67Å
191I95.7Very high86.4Confident82 Ų8298.4 Ų98.442%0.42154%0.536SS..EExtended strand (participates in β ladder)trans-130.9134.9-178.3-57.5174.2000107.8M173 V175M173-I191 HydrophobicContact CE-CG2 4.45Å; V175-I191 HydrophobicContact CG1-CG1 4.01Å; V175-I191 HydrophobicContact CG1-CG2 4.39Å
192Q97.3Very high84.9Confident71 Ų71103.1 Ų103.133%0.33256%0.561SS.*EExtended strand (participates in β ladder)trans-127.3132.1172.3-167.7-179.92500109.6W161 W164 M173 R174W161-Q192 HydrophobicContact CH2-CB 3.75Å; W161-Q192 HydrophobicContact CZ2-CB 4.4Å; W161-Q192 HydrophobicContact CZ3-CB 3.83Å; W164-Q192 HydrophobicContact CH2-CB 4.31Å; W164-Q192 HydrophobicContact CH2-CG 4Å; W164-Q192 WeakPolarHBondContact CZ3-O 3.38Å; M173-Q192 CarbonylContact C-O 3.47Å; M173-Q192 VanDerWaalsContact CA-O 3.31Å; M173-Q192 WeakPolarHBondContact CA-O 3.47Å; R174-Q192 HydrophobicContact CG-CB 4.07Å; R174-Q192 PolarHBondContact N-O 3.35Å; R174-Q192 PolarHBondContact O-N 2.76Å
193S96.4Very high83.6Confident78 Ų78103.8 Ų103.855%0.54557%0.569SS.*EExtended strand (participates in β ladder)trans-108.9149.5170.364.20000110.4Q172Q172-S193 WeakPolarHBondContact O-CA 3.47Å
194K95.9Very high81.9Confident83 Ų83108.8 Ų108.836%0.36157%0.573SS.*EExtended strand (participates in β ladder)trans-144.3153.416873.8-178.9179.6-166.70110.5W164 Q171 Q172W164-K194 VanDerWaalsContact CD1-NZ 3.34Å; W164-K194 HydrophobicContact CD2-CD 4.07Å; W164-K194 VanDerWaalsContact CD2-CE 3.44Å; W164-K194 HydrophobicContact CD2-CG 4.39Å; W164-K194 HydrophobicContact CE3-CD 4.18Å; W164-K194 HydrophobicContact CE3-CG 3.99Å; W164-K194 HydrophobicContact CH2-CB 3.87Å; W164-K194 HydrophobicContact CH2-CD 3.52Å; W164-K194 HydrophobicContact CH2-CG 3.56Å; W164-K194 HydrophobicContact CZ2-CD 3.43Å; W164-K194 VanDerWaalsContact CZ2-CD 3.43Å; W164-K194 HydrophobicContact CZ2-CG 4.02Å; W164-K194 HydrophobicContact CZ3-CB 4.1Å; W164-K194 HydrophobicContact CZ3-CD 3.91Å; W164-K194 HydrophobicContact CZ3-CG 3.55Å; Q171-K194 WeakPolarHBondContact CA-O 3.49Å; Q172-K194 HydrophobicContact CG-CD 4.3Å; Q172-K194 HydrophobicContact CG-CG 3.53Å; Q172-K194 PolarHBondContact N-O 2.98Å; Q172-K194 PolarHBondContact O-N 2.81Å
195S96Very high80.3Confident94 Ų94109.8 Ų109.866%0.65759%0.586SS**EExtended strand (participates in β ladder)trans-65.9143.4172-50.20000111.1N170N170-S195 CarbonylContact O-C 3.57Å; N170-S195 WeakPolarHBondContact O-CA 3.45Å
196C93.9Very high78.4Confident19 Ų19107 Ų10713%0.12858%0.583CS.*  trans-71.5135.4175-55.30000110.5C167 N170 Q171 K198C167-C196 VanDerWaalsContact CA-SG 3.55Å; C167-C196 HydrophobicContact CB-CB 3.98Å; C167-C196 WeakPolarHBondContact CB-SG 3.49Å; C167-C196 WeakPolarHBondContact SG-CB 3.35Å; C167-C196 CovalentContact SG-SG 2.01Å; C167-C196 PolarHBondContact SG-SG 2.77Å; N170-C196 PolarHBondContact O-N 3.43Å; Q171-C196 PolarHBondContact N-SG 3.01Å; C196-K198 PolarHBondContact O-N 3.43Å
197R84.9Confident76.5Confident242 Ų242114.9 Ų114.991%0.91362%0.615SS**SBendtrans-77.495.6171.2-70.8-174.7179.9-177.8-0.4108
198K76.5Confident74.6Confident174 Ų174116.1 Ų116.176%0.75762%0.616SS**SBendtrans73.4136.5-178.2-53.3178.3-179.8-1790113C196 I200C196-K198 PolarHBondContact O-N 3.43Å; K198-I200 PolarHBondContact O-N 3.44Å; K198-I200 VanDerWaalsContact O-N 3.14Å
199P62.1Low72.7Confident94 Ų94118.6 Ų118.661%0.6162%0.619SS**  trans-56.7124.8163.825.7-30.7000105.9G201P199-G201 PolarHBondContact O-N 3.42Å
200I60.6Low70.6Confident124 Ų124117.6 Ų117.664%0.63662%0.622SS**  trans-58.7100.9161.5-62.8170.7000102.6K198 L202 F203K198-I200 PolarHBondContact O-N 3.44Å; K198-I200 VanDerWaalsContact O-N 3.14Å; I200-L202 PolarHBondContact O-N 3.34Å; I200-F203 HydrophobicContact CG2-CD2 4.19Å; I200-F203 HydrophobicContact CG2-CE2 3.98Å
201G57.3Low68.3Low55 Ų55118.9 Ų118.957%0.56763%0.633SS**  trans-47.9135.1179.600000106.7P199 F203P199-G201 PolarHBondContact O-N 3.42Å; G201-F203 PolarHBondContact O-N 3.43Å
202L54Low66.2Low161 Ų161122.3 Ų122.384%0.84365%0.651SS**  trans-21.8113.2174.4-77.8154.7000108.4I200 Q204I200-L202 PolarHBondContact O-N 3.34Å; L202-Q204 PolarHBondContact O-N 2.81Å
203F54.9Low63.7Low183 Ų183125 Ų12580%0.80367%0.673SS**  trans-5298.3159.9-95.2-92000103.7I200 G201 V205I200-F203 HydrophobicContact CG2-CD2 4.19Å; I200-F203 HydrophobicContact CG2-CE2 3.98Å; G201-F203 PolarHBondContact O-N 3.43Å; F203-V205 PolarHBondContact O-N 3.45Å
204Q49.2Very low61.3Low177 Ų177132.1 Ų132.183%0.82769%0.688SS**  trans-63.997.1162.5-74.4-150.6-16.200101.3L202 S206L202-Q204 PolarHBondContact O-N 2.81Å; Q204-S206 PolarHBondContact O-N 3.31Å
205V53.1Low59.2Low122 Ų122133.7 Ų133.774%0.73971%0.707SS**  trans-53.894.1154.7176.90000102.7F203 K207F203-V205 PolarHBondContact O-N 3.45Å; V205-K207 PolarHBondContact O-N 3.5Å
206S50Low56.6Low82 Ų82135.4 Ų135.457%0.57371%0.709SS**  trans-55.7101.3163.3172.40000103.6Q204 N208Q204-S206 PolarHBondContact O-N 3.31Å; S206-N208 PolarHBondContact O-N 2.98Å; S206-N208 PolarHBondContact OG-OD1 3.45Å
207K53.7Low54.8Low179 Ų179141 Ų14178%0.77874%0.741SS**  trans-64.585.4157.9-75.2-177177.4-179.80104.3V205 V209V205-K207 PolarHBondContact O-N 3.5Å; K207-V209 HydrophobicContact CB-CG2 4.31Å; K207-V209 PolarHBondContact O-N 2.96Å
208N50.2Low52.9Low133 Ų133135.2 Ų135.271%0.71173%0.729SS**  trans-62.786.8150.5-75.4-15.7000104.4S206 V210S206-N208 PolarHBondContact O-N 2.98Å; S206-N208 PolarHBondContact OG-OD1 3.45Å; N208-V210 PolarHBondContact O-N 3.49Å
209V53.6Low51.5Low112 Ų112134.4 Ų134.468%0.67973%0.728SS**  trans-61.996.8159.61750000103.7K207 T211K207-V209 HydrophobicContact CB-CG2 4.31Å; K207-V209 PolarHBondContact O-N 2.96Å; V209-T211 PolarHBondContact O-N 3.21Å
210V52Low50.8Low119 Ų119137.7 Ų137.772%0.72174%0.737SS**  trans-62.997.3162175.50000104.4N208 L212N208-V210 PolarHBondContact O-N 3.49Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.76Å
211T47Very low49.8Very low112 Ų112135.2 Ų135.269%0.68774%0.741SS**  trans-57.8101.1166.8-43.30000105.9V209 T213V209-T211 PolarHBondContact O-N 3.21Å; T211-T213 VanDerWaalsContact C-N 3.28Å; T211-T213 PolarHBondContact O-N 3.05Å; T211-T213 PolarHBondContact O-OG1 3.48Å
212L52.4Low49.2Very low154 Ų154137.1 Ų137.181%0.80675%0.752SS**  trans-68.993.7172.8-157.493000106.6V210 R214V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.76Å; L212-R214 PolarHBondContact O-N 3.49Å
213T44Very low49.1Very low129 Ų129134.9 Ų134.979%0.79175%0.745SS**  trans-62.8100.5173.7-21.50000107.8T211T211-T213 VanDerWaalsContact C-N 3.28Å; T211-T213 PolarHBondContact O-N 3.05Å; T211-T213 PolarHBondContact O-OG1 3.48Å
214R46Very low49Very low226 Ų226133.2 Ų133.285%0.85375%0.745SS**PPolyproline II helixtrans-74.1128.8175.9-154.4176-167.9179.82.6108.5L212L212-R214 PolarHBondContact O-N 3.49Å
215P51.7Low48.9Very low117 Ų117128.9 Ų128.976%0.7674%0.739SS**PPolyproline II helixtrans-71.4137.4-178.8-2.215000111.3
216N40.9Very low48.6Very low130 Ų130130.6 Ų130.670%0.69574%0.743SS**PPolyproline II helixtrans-62.1125.8171.8-178.42.9000111.1N218N216-N218 PolarHBondContact OD1-OD1 2.87Å
217V55.7Low48.2Very low135 Ų135134.9 Ų134.982%0.81875%0.751SS**  trans-133.1111.1156.8-177.80000108
218N45.6Very low48Very low121 Ų121133 Ų13365%0.64775%0.745SS**  trans-57.3137.1170.5-53.3-57.8000110.8N216N216-N218 PolarHBondContact OD1-OD1 2.87Å
219H47.9Very low48Very low158 Ų158133.4 Ų133.473%0.73175%0.747SS**  -178128.1113.7-117.3-24.1000114
220M46Very low47.4Very low163 Ų163132.9 Ų132.980%0.80376%0.755SS**  trans52.4117.8139-79.5-166.9-74.700120.8
221G41Very low46.8Very low71 Ų71132.6 Ų132.673%0.73276%0.758SS**  135.7104.1118.400000116.6
222A44.8Very low46.9Very low95 Ų95136.2 Ų136.279%0.78577%0.767SS**  trans67.1143.6145.700000118.6
223T51.1Low46.3Very low115 Ų115140.4 Ų140.471%0.70677%0.772SS**  cis-172156.9-12.325.60000105.1
224N52.3Low46.2Very low148 Ų148142.1 Ų142.179%0.79178%0.775SS**  trans71.5108.6154.1-54.9-18.8000117.7
225A47.7Very low45.7Very low85 Ų85136.1 Ų136.170%0.70277%0.768SS**  103.610669.800000110.7
226L47.4Very low45.6Very low158 Ų158139.4 Ų139.483%0.82777%0.773SS**  trans157.9106.8138.7-106.284.7000106.9
227K41.9Very low45.4Very low172 Ų172139.2 Ų139.275%0.74878%0.776SS**  74.9127.283.3-171.1175.7-169.5-179.60110.3
228E48.4Very low44.8Very low141 Ų141139.5 Ų139.566%0.65978%0.778SS**  cis-174161.5-7.6-117.3173.4165.700104.1
229N49.7Very low44.5Very low141 Ų141142.1 Ų142.175%0.75479%0.787SS**  trans70.8105.2153-58.4-15.9000118.9
230A42Very low44.2Very low101 Ų101143.8 Ų143.884%0.83580%0.795SS**  16810284.400000109.8
231S39.3Very low43.9Very low113 Ų113148 Ų14879%0.7980%0.802SS**  trans-97113.7164.4-173.70000107.2
232H49.9Very low43.9Very low188 Ų188153.5 Ų153.587%0.8781%0.808SS**  trans-154.2139.6158.9-87.6-68.7000110.3
233R38.4Very low43.8Very low242 Ų242156.3 Ų156.391%0.91381%0.809SS**  trans89.574.8169.1-68.5-175165.4-161.1-4.1117.8
234L42.4Very low43.3Very low165 Ų165157.3 Ų157.386%0.86482%0.815SS**  trans-79155.3132.3-95.8120.9000110.5
235S36.6Very low43Very low100 Ų100156 Ų15670%0.69981%0.813SS**  trans90138165.9-51.80000116.9
236H48.1Very low42.9Very low186 Ų186157.2 Ų157.286%0.86181%0.812SS**  trans82.5110.1-162.6-58.6-83.2000111.9
237T37.9Very low43Very low125 Ų125156.1 Ų156.177%0.76781%0.812SS**  cis-159.8116.530.112.30000108
238V42.2Very low43.1Very low142 Ų142155.9 Ų155.986%0.86182%0.815SS**  trans-86.8140.5154.4166.60000104.9
239E40.4Very low43.3Very low175 Ų175159.3 Ų159.382%0.81882%0.822SS**  trans89.587.9-168.1-67.3-174.4109.600115.8
240Q40.3Very low43.2Very low194 Ų194161.6 Ų161.691%0.90783%0.825SS**  trans-177.415.8142.9-108.8173.70.900116.6
241R39.6Very low43.3Very low251 Ų251159.8 Ų159.895%0.94782%0.817SS**  trans-118.259.3171.6-79.6-175.8175.6168.3-0.4112.4
242Q42.1Very low43.9Very low186 Ų186161.2 Ų161.287%0.86981%0.813SS**  trans-139.361.2163.5-78.5-173.9-14.300108.8
243L42.4Very low43.9Very low154 Ų154159.1 Ų159.181%0.80680%0.803SS**SBendtrans-159.551.3173.4-144.588.3000113.2
244T40.8Very low44.4Very low136 Ų136154.2 Ų154.283%0.83480%0.795SS**SBendtrans-143.48.4170.640.60000114.8
245T45.4Very low44.6Very low120 Ų120154.7 Ų154.774%0.73679%0.79SS**SBendtrans-110.37.1-174.1520000115.5
246T45.3Very low45.2Very low112 Ų112156.6 Ų156.669%0.68779%0.792SS**SBendtrans-116.1-6.4-172.630.60000116.3
247V50Low45.1Very low135 Ų135152.6 Ų152.682%0.81878%0.781SS**SBendtrans-102.7-19.5-177.1-1790000114R249V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.09Å
248M44.5Very low45.5Very low166 Ų166152 Ų15282%0.81878%0.777SS**THydrogen-bonded Turntrans-84.22.2175.5-75.5-92.4169.200113.9
249R51.8Low45.7Very low214 Ų214152.1 Ų152.181%0.80877%0.771SS**THydrogen-bonded Turntrans-98.1-2.6-172.7-149.6176.8-168.7131.33115.2V247V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.09Å
250K47.5Very low46Very low188 Ų188148.1 Ų148.182%0.81777%0.768SS**SBendtrans-1165.8-180-148172.5-178.2-179.90114.4
251G44.8Very low46.2Very low64 Ų64143.1 Ų143.166%0.6676%0.76SS**SBendtrans-107.20.1-177.200000116
252M50.7Low46.4Very low143 Ų143137 Ų13770%0.70475%0.75SS**SBendtrans-113.10.9-177.1-76.7-167.4-75.100114.7
253E50.1Low46.3Very low144 Ų144136.1 Ų136.167%0.67375%0.749SS**SBendtrans-85.7-18.8-179.8-73175155.200113.2
254D48.9Very low46.3Very low138 Ų138138.3 Ų138.374%0.73875%0.752SS**THydrogen-bonded Turntrans-90.4-1.2-178.9-72.2-24.7000115.4
255K48.3Very low46.6Very low176 Ų176137.2 Ų137.277%0.76575%0.748SS**THydrogen-bonded Turntrans-98.9-7.3176.9-83.9-172.5174.3-174.90115
256L47.3Very low47.3Very low139 Ų139137.8 Ų137.873%0.72875%0.753SS**SBendtrans-97-9.6-178.3-93.3146.1000114.4
257T47.8Very low47.2Very low103 Ų103136.6 Ų136.663%0.63276%0.755SS**SBendtrans-84.8-11.8177.231.40000114.3
258T44.9Very low46.9Very low112 Ų112142.1 Ų142.169%0.68776%0.761SS**SBendtrans-91.5-14.8-178.3-58.50000113.7
259I46.7Very low46.8Very low145 Ų145137.9 Ų137.974%0.74476%0.76SS**SBendtrans-93.9-7.6-180-59177000112A261I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.26Å
260A45.9Very low46.4Very low91 Ų91137.9 Ų137.975%0.75277%0.766SS**THydrogen-bonded Turntrans-83.81018000000115.4
261A44.3Very low46.4Very low88 Ų88141 Ų14173%0.72777%0.773SS**THydrogen-bonded Turntrans-110.84.5-172.300000115.7I259I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.26Å
262V45.4Very low46.3Very low123 Ų123149 Ų14975%0.74578%0.783SS**SBendtrans-119.5133.7-178-171.40000108.4
263I40.1Very low45.7Very low167 Ų167149 Ų14986%0.85679%0.785SS**  trans93.864.8-172.7-42.6159.2000113.6
264K42.7Very low45.3Very low200 Ų200149.4 Ų149.487%0.8779%0.792SS**PPolyproline II helixtrans-94.2129149.2-101.7178.6176.9174.90108.1
265P47.2Very low44.9Very low114 Ų114146.7 Ų146.774%0.7479%0.789SS**PPolyproline II helixtrans-79.6137.4171.930.9-29.8000110.1
266P59.8Low44.7Very low131 Ų131144.2 Ų144.285%0.85179%0.788SS**PPolyproline II helixtrans-79138.5169.330.4-30.3000110.7
267A42.1Very low44.3Very low87 Ų87145.3 Ų145.372%0.71979%0.789SS**PPolyproline II helixtrans-98.9145.9176.900000111.5
268R43.5Very low43.7Very low252 Ų252144.2 Ų144.295%0.95179%0.786SS**  trans73.8128.7155.9-62.4178.8-175.9-177.81.3119.1
269G43.8Very low43.5Very low77 Ų77148.1 Ų148.179%0.79480%0.797SS**  trans174.986.7157.700000113.1
270F42Very low43.1Very low214 Ų214146 Ų14694%0.93980%0.801SS**  trans-61.8128164-90.6-97.1000110.5
271R47.2Very low42.7Very low252 Ų252149.9 Ų149.995%0.95181%0.808SS**  trans-149.9143.4147.2-77.7-156.8177177.7-0.4111.5
272R43.1Very low43.5Very low234 Ų234151.3 Ų151.388%0.88381%0.81SS**  trans-69.3148.4-175.2-86.6171.8158.4163.2-7.7114.1
273L38.9Very low43.3Very low143 Ų143151.2 Ų151.275%0.74981%0.812SS**  trans20.9124.3134.7-66.4149.7000118.8
274D42.1Very low42.9Very low151 Ų151149.2 Ų149.281%0.80781%0.813SS**  -178.7146.597-90.3-32.9000112.7
275A40.4Very low42.6Very low82 Ų82144.1 Ų144.168%0.67881%0.808SS**  trans74.4118.9142.700000123.3
276V43.6Very low42Very low124 Ų124145.2 Ų145.275%0.75281%0.812SS**  78.4120.5129.2-179.70000115.1
277E39.1Very low41Very low161 Ų161147 Ų14775%0.75281%0.813SS**  177.5133.162.8-176.876.2-133.600108.3
278S35.9Very low40.6Very low81 Ų81145.9 Ų145.957%0.56681%0.81SS**  trans43120143.2-48.10000122.8
279Q39.9Very low40.7Very low194 Ų194139.2 Ų139.291%0.90780%0.8SS**  179.4121.6112.5-93.8166.369.100115.1
280A39.1Very low40.6Very low100 Ų100141.9 Ų141.983%0.82680%0.803SS**  trans57.7107.1142.800000122.3
281L37.4Very low40.7Very low172 Ų172137.2 Ų137.290%0.90180%0.797SS**  trans-119.6139.6150.7-81166.4000109.1
282P60.9Low40.4Very low118 Ų118129.9 Ų129.977%0.76679%0.79SS**  trans-87.4165.6172.834.2-32000113
283P41.2Very low40.5Very low122 Ų122126.5 Ų126.579%0.79279%0.788SS**  trans-98.3163.7-146.137.3-34.8000115.9
284S31.4Very low41.3Very low125 Ų125125.1 Ų125.187%0.87479%0.788SS**  trans-39.8138.3167.2-57.80000115.4
285A36.3Very low41.2Very low93 Ų93123.1 Ų123.177%0.76978%0.783SS**  trans-118.1107.3160.400000110.5
286T34.5Very low41.5Very low136 Ų136126.7 Ų126.783%0.83479%0.79SS**  trans69.5110.9130.1-44.60000120.6
287I39.6Very low41.4Very low168 Ų168132.5 Ų132.586%0.86280%0.799SS**  trans-63.4138.9166.8-65.6157.8000111.6
288G33.8Very low42.2Very low64 Ų64130.5 Ų130.566%0.6680%0.8SS**  trans-135.3147.6161.100000109.6
289P45.1Very low42.3Very low113 Ų113132.9 Ų132.973%0.73481%0.811SS**PPolyproline II helixtrans-85.8157.4-142.533.9-36.5000115
290P42.3Very low42.5Very low133 Ų133129.2 Ų129.286%0.86481%0.807SS**PPolyproline II helixtrans-85.9122.1168.433.4-27.3000110.3
291S42.4Very low42.6Very low115 Ų115133.5 Ų133.580%0.80481%0.81SS**PPolyproline II helixtrans-97.8121.4173.8-76.10000112
292A41.5Very low42.8Very low98 Ų98128.6 Ų128.681%0.8180%0.801SS**  trans59.7104.4142.600000120
293I45.6Very low41.8Very low163 Ų163129.6 Ų129.684%0.83681%0.805SS**PPolyproline II helixtrans-82134.9159.4-62165.1000108.8
294P55.3Low41.9Very low115 Ų115131.3 Ų131.375%0.74781%0.807SS**PPolyproline II helixtrans-88.5136.7158.731.7-26.5000110.6
295P40.4Very low43.2Very low109 Ų109130.9 Ų130.971%0.70880%0.801SS**PPolyproline II helixtrans-84.8134.4174.333.9-29.1000109.8
296N47Very low43.9Very low156 Ų156131.8 Ų131.883%0.83480%0.799SS**  trans15396.8147-78.6-14.7000110.9
297W41.7Very low44Very low247 Ų247130.7 Ų130.794%0.93680%0.797SS**  trans-136.6134.4150.5-113-57.1000109.3
298P55.9Low44.5Very low119 Ų119130.6 Ų130.677%0.77380%0.796SS**  trans-73.5136.9-177.4-8.425.7000110.8
299T36.5Very low44.9Very low131 Ų131133 Ų13380%0.80480%0.799SS**  trans-75.3115.5167.6-59.40000108.9
300S45.1Very low45.4Very low116 Ų116133.2 Ų133.281%0.81180%0.8SS**  trans-97.9111.1162.245.60000109.4
301Q40.5Very low46.1Very low190 Ų190132.7 Ų132.789%0.88880%0.797SS**  trans-69.1140.7163.5-68.3179.5-12.700109.2
302G41.7Very low46Very low69 Ų69133.5 Ų133.571%0.71179%0.792SS**  trans17874.1177.200000113.8
303T39.6Very low46.3Very low139 Ų139136.2 Ų136.285%0.85379%0.791SS**  trans45.2114.9137.5-43.30000120.5
304L43.6Very low45.9Very low159 Ų159136.6 Ų136.683%0.83279%0.787SS**  trans-56.3153.5163.5-73.9150.6000113.6
305P60Low45.2Very low115 Ų115139 Ų13975%0.74779%0.788SS**  -127.8164.9126.413.27.7000112.8
306P50.2Low45Very low112 Ų112143.5 Ų143.573%0.72780%0.797SS**  trans-94.8153-149.935.9-34.1000115.2
307S37.3Very low44.6Very low114 Ų114144 Ų14480%0.79779%0.794SS**  trans26.5108.3136.8-158.30000118.2
308I48.8Very low44.3Very low165 Ų165140.6 Ų140.685%0.84679%0.786SS**  trans-113.3116.5155.8-60.9176.8000107.5
309T43.2Very low43.5Very low116 Ų116142.4 Ų142.471%0.71279%0.787SS**PPolyproline II helixtrans-57.6140.3174.230.10000113.3
310P54.7Low43.4Very low117 Ų117140.6 Ų140.676%0.7679%0.785SS**PPolyproline II helixtrans-85.9143.4166.233.2-29.1000111
311P58.1Low43.1Very low122 Ų122143.8 Ų143.879%0.79279%0.788SS**PPolyproline II helixtrans-77.7134.1171.230.2-29.6000111.1
312N39Very low43Very low132 Ų132140.2 Ų140.271%0.70678%0.781SS**PPolyproline II helixtrans-78.2121.6171.8179-17.3000109.4
313I47.5Very low43.6Very low155 Ų155143.1 Ų143.180%0.79579%0.787SS**  trans-131.2106.2164-58.2179000107.9
314K38.1Very low43.3Very low171 Ų171142.7 Ų142.774%0.74379%0.785SS**  trans-92.3158.8162.2-70.8-179.8176.5-178.10108.9
315Q39.9Very low43.1Very low164 Ų164143.4 Ų143.477%0.76679%0.788SS**  trans81119.4176.9-55.4172.4-22.600111.7
316F36.2Very low42.1Very low204 Ų204144.9 Ų144.990%0.89579%0.79SS**  -144.1144.757.5-85.4-96.4000113.6
317E39.7Very low41.4Very low168 Ų168150.3 Ų150.379%0.78580%0.796SS**  trans-100.6150.6173.1-165.3-174.8141.300108.9
318K34.9Very low41.4Very low174 Ų174150.8 Ų150.876%0.75779%0.794SS**  trans89.1145.7146.2-141.1169.5-174.4171.90119.4
319I38.3Very low40.8Very low158 Ų158148.4 Ų148.481%0.8179%0.787SS**  trans88.3125.8163.7-47.5167.4000112.7
320A35.6Very low40.6Very low92 Ų92150.4 Ų150.476%0.7679%0.792SS**  cis-162.6166.92.200000110.5
321E39.2Very low39.8Very low184 Ų184149.2 Ų149.286%0.8679%0.792SS**PPolyproline II helixtrans-52.8162.7168-85.8174.1129.400115.7
322P37.5Very low38.5Very low115 Ų115148.7 Ų148.775%0.74779%0.792SS**PPolyproline II helixtrans-85.7146.8179.835-32.1000112.4
323P54.9Low38.7Very low129 Ų129148 Ų14884%0.83879%0.794SS**PPolyproline II helixtrans-85.9121.4174.532-29.9000111.7
324T32.9Very low38.2Very low131 Ų131146.3 Ų146.380%0.80479%0.791SS**PPolyproline II helixtrans-81.5130146.9400000108.8
325L40.1Very low38.2Very low174 Ų174146.3 Ų146.391%0.91179%0.794SS**  trans-153.8151152.6-13990.7000113.5
326D37.1Very low38Very low145 Ų145145.4 Ų145.478%0.77580%0.8SS**  trans-75153.5-164.6-77.6-61.1000117.6
327R35.7Very low38Very low226 Ų226141.2 Ų141.285%0.85379%0.791SS**  trans-15.1129.8142.1-172.2-179.6-168.5178.61.1116.8
328T38.2Very low37.9Very low124 Ų124141.3 Ų141.376%0.76180%0.796SS**  trans176.8103.8130.7-65.30000108.5
329T35.6Very low37.9Very low115 Ų115136.2 Ų136.271%0.70679%0.793SS**  74.4126.996.7-31.50000116.5
330I40.3Very low37.8Very low158 Ų158133.5 Ų133.581%0.8179%0.788SS**  trans100.8128.7149.5-40.7-176.5000119.4
331A36.9Very low38.3Very low93 Ų93137.1 Ų137.177%0.76979%0.789SS**  trans93.396.3153.700000120.9
332S30.3Very low38.3Very low111 Ų111134.6 Ų134.678%0.77678%0.781SS**  trans-61.1168.9140.7-60.90000110.5
333P43.8Very low38.3Very low116 Ų116134.1 Ų134.175%0.75378%0.781SS**  cis-154.3-17434.735.4-8.4000118.6
334T36.9Very low37.6Very low121 Ų121135.9 Ų135.974%0.74278%0.782SS**  trans107.198.8142.2-39.30000119.1
335Q37.8Very low37.8Very low171 Ų171135.6 Ų135.680%0.79978%0.78SS**  trans-6139.3144.7-54.3176.726.100119.2
336T36Very low37.4Very low145 Ų145134.9 Ų134.989%0.8978%0.776SS**  trans-147137.3134.9-44.20000110.5
337T36.2Very low37.6Very low115 Ų115134.4 Ų134.471%0.70678%0.778SS**  trans-83.7163.5-167.8-22.80000112.7
338L36.9Very low37.8Very low170 Ų170132.4 Ų132.489%0.8978%0.779SS**  139.1136.2117.4-14378.2000116.2
339G36Very low38.3Very low67 Ų67131.9 Ų131.969%0.69178%0.777SS**  trans105.896.7162.200000114.5
340S36.4Very low38.5Very low102 Ų102134.7 Ų134.771%0.71378%0.782SS**  cis69.9110.438790000116.6
341H45.9Very low38.4Very low168 Ų168134.9 Ų134.978%0.77878%0.782SS**  trans173.6108.4136.5-89.4-61.9000108.8
342D39.6Very low38.7Very low131 Ų131135.9 Ų135.970%0.70178%0.783SS**  73.2108.596.9-75.1-39.1000114.1
343S37.4Very low39.3Very low105 Ų105135.4 Ų135.473%0.73479%0.786SS**  85.5121.473.3-79.70000113.7
344L38.9Very low39.2Very low165 Ų165136 Ų13686%0.86479%0.787SS**  trans175.4104.8144.3-92.1157.7000109.5
345V38.5Very low39.8Very low125 Ų125136.3 Ų136.376%0.75879%0.791SS**  71.2102.398.7175.10000113.2
346L30.6Very low39.9Very low159 Ų159137 Ų13783%0.83279%0.792SS**  61.6105.274-165.280.4000115.8
347V41.4Very low40.1Very low135 Ų135135.8 Ų135.882%0.81878%0.784SS**  trans-153.9124.2144.7-176.70000110.6
348Q41.3Very low40.8Very low184 Ų184139.9 Ų139.986%0.8679%0.792SS**  trans-117.6154.2151.7-92.5-167.5-17.300107.7
349P47.2Very low41Very low113 Ų113140 Ų14073%0.73479%0.788SS**  trans-141.1138.1131.132.1-15.4000111.4
350E40.6Very low41.4Very low174 Ų174141.9 Ų141.981%0.81379%0.788SS**  83.2111.168.9-146.1-174.9165.900115.9
351M37Very low41.7Very low162 Ų162144.7 Ų144.780%0.79879%0.79SS**  trans25.3136.1149.5-54.3-178.467.200122.9
352S43.2Very low41.9Very low114 Ų114142.9 Ų142.980%0.79779%0.785SS**  176.1133.9112.8-82.10000116.6
353A43Very low42.2Very low102 Ų102144.6 Ų144.684%0.84379%0.789SS**  trans70.7131.9135.300000124.6
354V42.7Very low42.7Very low128 Ų128146.1 Ų146.178%0.77679%0.788SS**  trans-81.9170.4175.5-164.10000111.2
355P49.6Very low43.1Very low127 Ų127145 Ų14583%0.82578%0.782SS**  -147.5169.89433.9-13.2000117.4
356K40.4Very low43.1Very low187 Ų187144.2 Ų144.281%0.81378%0.778SS**  trans-64.4162.9-171.4-60.4165.4174.8173.90116.7
357T39.4Very low43.9Very low118 Ų118145.6 Ų145.672%0.72478%0.78SS**  148.6125.2100.7-420000113.5
358K50.1Low44Very low201 Ų201144.6 Ų144.687%0.87477%0.774SS**  151.7120.6120.5-79.2-171-178-179.80113.9
359Q41.3Very low44.3Very low173 Ų173141.9 Ų141.981%0.80877%0.769SS**  trans-69.6-173.3171.7-118.1-176-2000112.1
360P45.9Very low44Very low107 Ų107141.1 Ų141.170%0.69577%0.765SS**  cis-150167.830.620.88.9000121.9
361Q41.4Very low43.9Very low161 Ų161141.6 Ų141.675%0.75277%0.767SS**  trans67.1131.2138.8-57.8-115.8-8.400122.2
362I50.5Low44.3Very low129 Ų129139.8 Ų139.866%0.66277%0.77SS**  175.7132.491.5-79.4179.6000111.5
363E45.8Very low44.2Very low168 Ų168139.6 Ų139.679%0.78577%0.769SS**  trans51.5136.6152.8-64.3160.2-171.100121.4
364N48.8Very low44.3Very low136 Ų136143.3 Ų143.373%0.72777%0.769SS**  cis-166.7130.947.8-145.55.2000114.6
365I47.2Very low44Very low141 Ų141142 Ų14272%0.72377%0.766SS**  trans36.3107.5141-56.2172.5000123.3
366T38.8Very low43.8Very low109 Ų109145.6 Ų145.667%0.66977%0.768SS**  48.5119.7115.1-36.60000124.4V368T366-V368 HydrophobicContact CG2-CG2 4.08Å
367Q45.6Very low43.8Very low189 Ų189140.8 Ų140.888%0.88376%0.763SS**  170.3150.5114.3-92.3-174.70.800110.3
368V43.8Very low43.6Very low113 Ų113140.8 Ų140.869%0.68576%0.763SS**  cis178.8123.7-44.9138.80000105.6T366T366-V368 HydrophobicContact CG2-CG2 4.08Å
369V47.2Very low43.5Very low127 Ų127138.2 Ų138.277%0.7776%0.764SS**  trans84146141.31740000120.3
370P42.3Very low43.5Very low98 Ų98136.3 Ų136.364%0.63676%0.755SS**  cis-145.5171.6-45.746-27.2000115.5
371Q38.8Very low43.8Very low183 Ų183140.7 Ų140.786%0.85576%0.764SS**  trans30.4128.8140.3-66.5175.8-25.500122.6
372S45.3Very low43.9Very low125 Ų125138.7 Ų138.787%0.87476%0.758SS**  -167.814210349.30000111.6
373S40.2Very low43.9Very low109 Ų109141.2 Ų141.276%0.76277%0.767SS**  trans-104128.6-179.347.50000109.2
374E44.4Very low43.6Very low180 Ų180139 Ų13984%0.84177%0.77SS**  trans-140.7121.8154.7-79.2-166.4151.500111
375S37.9Very low44.1Very low102 Ų102138.6 Ų138.671%0.71377%0.772SS**  trans-70.8138.2166.948.80000111.3
376F44Very low44.4Very low201 Ų201137.5 Ų137.588%0.88277%0.774SS**  trans-148.2141.3145.4-86.1-70.3000112.1
377A41.8Very low44.9Very low86 Ų86142.3 Ų142.371%0.71179%0.786SS**  trans-85.1148.3-165.800000114
378T34Very low45.5Very low118 Ų118144.4 Ų144.472%0.72479%0.786SS**  trans38.9113.8133.6-360000119.8
379V47.8Very low45.9Very low148 Ų148148.3 Ų148.390%0.89779%0.793SS**  trans-137.9116.1136.1178.10000109.9
380E41.8Very low46.5Very low132 Ų132150.8 Ų150.862%0.61779%0.794SS**  trans-77.9139.3177.2-170.3-175.6156.400110.8N382E380-N382 PolarHBondContact OE1-ND2 2.93Å
381K52.7Low46.9Very low200 Ų200155.3 Ų155.387%0.8780%0.804SS**  trans-142106159.3-129.6174.5-172.4173.20111.3
382N42.5Very low47.7Very low119 Ų119155 Ų15564%0.63680%0.8SS**  trans-65.7129.2178.6-71.6-56.6000112.5E380E380-N382 PolarHBondContact OE1-ND2 2.93Å
383H50.9Low48.2Very low182 Ų182154.7 Ų154.784%0.84380%0.795SS**  trans-136.8107.1153.3-85.7-66.3000109.8
384S40.4Very low48.5Very low122 Ų122157 Ų15785%0.85379%0.793SS**  trans-75.1129.6174.960.70000110.3
385V59.4Low48.8Very low127 Ų127154.3 Ų154.377%0.7779%0.789SS**  trans-123132169.7178.10000107.6K387V385-K387 PolarHBondContact O-N 3.44Å
386P52.9Low49Very low118 Ų118156.2 Ų156.277%0.76679%0.785SS**  trans-74130.7-166.927.4-31.7000112R388P386-R388 PolarHBondContact O-N 2.8Å
387K50.5Low49.1Very low210 Ų210154 Ų15491%0.91378%0.781SS**  trans-61.5111.7177.4-69.7177.8177.7175.80110.6V385 K389V385-K387 PolarHBondContact O-N 3.44Å; K387-K389 PolarHBondContact O-N 3.49Å
388R57.5Low49.5Very low233 Ų233154.4 Ų154.488%0.87978%0.775SS**  trans-69.3116.3166.6-98.1-175.1173.8-172.1-1.7109.8P386 K390P386-R388 PolarHBondContact O-N 2.8Å; R388-K390 PolarHBondContact O-N 2.83Å
389K52.6Low50.1Low194 Ų194157.1 Ų157.184%0.84378%0.78SS**  trans-59112.9165.5-67.4-179.9178.7-178.90109K387K387-K389 PolarHBondContact O-N 3.49Å
390K58.7Low50.3Low179 Ų179158.8 Ų158.878%0.77878%0.78SS**  trans-102.4102.4166.8-75.5-174.4179.9179.70108.3R388 F392R388-K390 PolarHBondContact O-N 2.83Å; K390-F392 VanDerWaalsContact C-N 3.34Å; K390-F392 PolarHBondContact O-N 2.83Å
391F52Low50.8Low194 Ų194156.6 Ų156.685%0.85178%0.784SS**  trans-70.291.3158.8-90.6-95.7000107.8
392F53.8Low50.9Low176 Ų176155.2 Ų155.277%0.77278%0.78SS**  trans-139.8122.6156.3-86.3-82.8000106.1K390 E394K390-F392 VanDerWaalsContact C-N 3.34Å; K390-F392 PolarHBondContact O-N 2.83Å; F392-E394 PolarHBondContact O-N 2.9Å
393P55.9Low51Low118 Ų118154.2 Ų154.277%0.76678%0.783SS**  trans-62.5107.3170.125.8-29.5000106.8V395P393-V395 VanDerWaalsContact C-N 3.29Å; P393-V395 PolarHBondContact O-N 2.66Å
394E46.2Very low51.1Low157 Ų157151.3 Ų151.373%0.73478%0.778SS**  trans-61.898.7165.3-171.5175.4161.500105.9F392 K396F392-E394 PolarHBondContact O-N 2.9Å; E394-K396 HydrophobicContact CG-CG 4.22Å; E394-K396 PolarHBondContact O-N 3.36Å
395V51.3Low51.6Low125 Ų125155.5 Ų155.576%0.75878%0.784SS**  trans-64.990.6165.8-177.40000104.9P393 L397P393-V395 VanDerWaalsContact C-N 3.29Å; P393-V395 PolarHBondContact O-N 2.66Å; V395-L397 PolarHBondContact O-N 2.71Å
396K41.7Very low51.4Low142 Ų142152 Ų15262%0.61777%0.773SS**  trans-62.985.8171.3-77.7-175.7177.2-179.60107.7E394 T398E394-K396 HydrophobicContact CG-CG 4.22Å; E394-K396 PolarHBondContact O-N 3.36Å; K396-T398 WeakPolarHBondContact CB-OG1 3.48Å; K396-T398 PolarHBondContact O-N 3.25Å
397L46.6Very low51.4Low154 Ų154154.3 Ų154.381%0.80678%0.779SS**THydrogen-bonded Turntrans-71.756.4163.4-158.178.1000108.3V395V395-L397 PolarHBondContact O-N 2.71Å
398T50.3Low51.8Low95 Ų95151.1 Ų151.158%0.58377%0.772SS**THydrogen-bonded Turntrans-134.57.5-173.9-1.90000112.1K396K396-T398 WeakPolarHBondContact CB-OG1 3.48Å; K396-T398 PolarHBondContact O-N 3.25Å
399Q45.9Very low51.9Low175 Ų175145.4 Ų145.482%0.81876%0.759SS**SBendtrans-117.29.4-179.6-78.5-175.5-22.300115.2
400M53.1Low52.3Low182 Ų182143.2 Ų143.290%0.89776%0.756SS**SBendtrans-100.26.4172.4-65.4-173.6-171.300114.3
401A52.8Low52.5Low86 Ų86142.9 Ų142.971%0.71175%0.75SS**SBendtrans-105.17.8-176.400000115.1
402H53.1Low53.3Low171 Ų171138.3 Ų138.379%0.79274%0.737SS**  trans-119.823.8-172.8-70.1-84.1000114.4
403S46.6Very low54.4Low98 Ų98135.6 Ų135.669%0.68573%0.727SS**  trans-100.6114.6176.2-166.90000111.6
404T51.6Low55.9Low121 Ų121137.8 Ų137.874%0.74273%0.727SS**  trans69.981.7146.8520000118.2G406T404-G406 PolarHBondContact O-N 3.3Å
405Q51.4Low58Low211 Ų211131 Ų13199%0.98670%0.698SS**  7.576.9121.7-160.1161.94.800115.8
406G54Low60.1Low52 Ų52128.4 Ų128.454%0.53669%0.685SS.*  trans-139.6121.4162.300000106.3T404 N408T404-G406 PolarHBondContact O-N 3.3Å; G406-N408 PolarHBondContact O-N 3.28Å
407D54.5Low62.7Low167 Ų167124.6 Ų124.689%0.89367%0.667SS**  trans-71.358.6-177.5-16110.6000111
408N58.1Low65.1Low143 Ų143118.8 Ų118.877%0.76564%0.639SS**  trans-107.2102.4162.7-74.9-34.3000104.6G406 L410G406-N408 PolarHBondContact O-N 3.28Å; N408-L410 PolarHBondContact O-N 3.35Å
409D59Low67.4Low113 Ų113119.5 Ų119.560%0.60465%0.648SS**  trans-60.268.8168.9-166.717000108.6R411D409-R411 PolarHBondContact O-N 3.22Å; D409-R411 VanDerWaalsContact OD1-CG 3.23Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 IonicContact OD1-NE 3.87Å; D409-R411 IonicContact OD2-CZ 2.63Å; D409-R411 IonicContact OD2-NE 3.19Å; D409-R411 PolarHBondContact OD2-NE 3.28Å; D409-R411 IonicContact OD2-NH2 2.67Å; D409-R411 PolarHBondContact OD2-NH2 3.25Å
410L62.6Low69.9Low149 Ų149114.8 Ų114.878%0.7862%0.623SS**  trans-70.374.7165.4-164.879.8000104.2N408 V412N408-L410 PolarHBondContact O-N 3.35Å; L410-V412 PolarHBondContact O-N 2.08Å
411R62.2Low72Confident172 Ų172108.5 Ų108.565%0.64960%0.597SS**  trans-54.795.5168.1-71.2-173.6-177.8179.30.1104.6D409 H413D409-R411 PolarHBondContact O-N 3.22Å; D409-R411 VanDerWaalsContact OD1-CG 3.23Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 IonicContact OD1-NE 3.87Å; D409-R411 IonicContact OD2-CZ 2.63Å; D409-R411 IonicContact OD2-NE 3.19Å; D409-R411 PolarHBondContact OD2-NE 3.28Å; D409-R411 IonicContact OD2-NH2 2.67Å; D409-R411 PolarHBondContact OD2-NH2 3.25Å; R411-H413 PolarHBondContact O-CD2 3.18Å; R411-H413 PolarHBondContact O-N 3.28Å
412V69.7Low74.2Confident97 Ų97110.8 Ų110.859%0.58860%0.602SS**  trans-5897.9168176.90000103L410 Q414L410-V412 PolarHBondContact O-N 2.08Å; V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 WeakPolarHBondContact O-CG 3.4Å; V412-Q414 PolarHBondContact O-N 2.91Å
413H76Confident76.2Confident120 Ų120105.7 Ų105.756%0.55658%0.575SS**  trans-62.9103-175.6-72.3-78.4000105.5R411 P440R411-H413 PolarHBondContact O-CD2 3.18Å; R411-H413 PolarHBondContact O-N 3.28Å; H413-P440 HydrophobicContact CB-CB 3.67Å; H413-P440 HydrophobicContact CB-CG 3.22Å; H413-P440 WeakPolarHBondContact O-CG 3.37Å
414Q86.8Confident78.5Confident164 Ų164102.7 Ų102.777%0.76655%0.554SS**  trans-70.5139.8-178.1-67.5-176.4-10.600107.7V412 S416V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 WeakPolarHBondContact O-CG 3.4Å; V412-Q414 PolarHBondContact O-N 2.91Å; Q414-S416 PolarHBondContact O-N 2.96Å
415A91.5Very high80.5Confident15 Ų15100.4 Ų100.412%0.12454%0.543CS..  trans-56.9133.5172.200000109N438 Y439 T447 C449A415-N438 WeakPolarHBondContact CA-O 3.02Å; A415-Y439 HydrophobicContact CB-CD1 3.7Å; A415-Y439 HydrophobicContact CB-CE1 3.73Å; A415-Y439 HydrophobicContact CB-CG 4.46Å; A415-T447 WeakPolarHBondContact CB-O 3.45Å; A415-C449 VanDerWaalsContact C-SG 3.5Å
416S94.1Very high82.4Confident70 Ų7091.1 Ų91.149%0.4950%0.502SS..EExtended strand (participates in β ladder)trans-119.3142.8-174.659.40000110.5Q414 N438 C449Q414-S416 PolarHBondContact O-N 2.96Å; S416-N438 PolarHBondContact N-O 3.24Å; S416-N438 WeakPolarHBondContact O-CB 3.46Å; S416-N438 PolarHBondContact O-N 3.17Å; S416-C449 PolarHBondContact O-SG 3.48Å; S416-C449 VanDerWaalsContact O-SG 3.36Å
417W97.2Very high84.1Confident62 Ų6294.1 Ų94.124%0.23550%0.503CS..EExtended strand (participates in β ladder)trans-71138.2174.1-76.9115.5000110.8R435 C437 C449 P450 G451W417-R435 VanDerWaalsContact CD1-CZ 3.5Å; W417-R435 HydrophobicContact CD2-CG 4.11Å; W417-R435 HydrophobicContact CE3-CB 4.32Å; W417-R435 HydrophobicContact CE3-CG 3.54Å; W417-R435 HydrophobicContact CZ3-CG 3.96Å; W417-C437 HydrophobicContact CE3-CB 4.14Å; W417-C437 HydrophobicContact CH2-CB 4.29Å; W417-C437 HydrophobicContact CZ3-CB 3.83Å; W417-C449 HydrophobicContact CD2-CB 3.57Å; W417-C449 HydrophobicContact CE3-CB 4.1Å; W417-C449 HydrophobicContact CG-CB 4.01Å; W417-C449 HydrophobicContact CH2-CB 4.01Å; W417-C449 HydrophobicContact CZ2-CB 3.48Å; W417-C449 VanDerWaalsContact CZ2-CB 3.48Å; W417-C449 WeakPolarHBondContact CZ2-O 3.34Å; W417-C449 HydrophobicContact CZ3-CB 4.31Å; W417-P450 PolarHBondContact NE1-O 3.47Å; W417-G451 WeakPolarHBondContact CZ2-O 3.49Å
418S97.3Very high85.8Confident31 Ų3189.4 Ų89.422%0.21748%0.482CS..PPolyproline II helixtrans-62.6163.1162.579.30000110.4T436S418-T436 WeakPolarHBondContact CB-O 3.48Å; S418-T436 PolarHBondContact N-O 3.36Å; S418-T436 PolarHBondContact OG-N 2.03Å; S418-T436 PolarHBondContact OG-O 3.08Å
419S97.9Very high87.3Confident111 Ų11187.4 Ų87.478%0.77647%0.467SS*.PPolyproline II helixtrans-53.9147.1162.4-58.40000110.3
420W98.3Very high88.9Confident76 Ų7688.3 Ų88.329%0.28846%0.462SS..PPolyproline II helixtrans-61.6141.3172.2-75.1109.2000111R433 R435 E455W420-R433 HydrophobicContact CD2-CG 4.26Å; W420-R433 HydrophobicContact CE3-CB 4.43Å; W420-R433 HydrophobicContact CE3-CG 3.69Å; W420-R433 HydrophobicContact CZ3-CG 4.16Å; W420-R435 HydrophobicContact CD2-CB 4.14Å; W420-R435 HydrophobicContact CD2-CG 4.09Å; W420-R435 HydrophobicContact CE3-CB 3.78Å; W420-R435 HydrophobicContact CE3-CG 3.72Å; W420-R435 HydrophobicContact CH2-CG 3.81Å; W420-R435 HydrophobicContact CZ2-CG 4.15Å; W420-R435 VanDerWaalsContact CZ2-NE 3.27Å; W420-R435 HydrophobicContact CZ3-CB 4.12Å; W420-R435 HydrophobicContact CZ3-CG 3.58Å; W420-E455 HydrophobicContact CH2-CB 3.94Å; W420-E455 HydrophobicContact CZ3-CB 4.08Å
421S98Very high90.5Very high50 Ų5085.6 Ų85.635%0.3544%0.441SS..PPolyproline II helixtrans-62162.3168.476.70000110.8R433 T434S421-R433 WeakPolarHBondContact OG-CA 3.33Å; S421-T434 WeakPolarHBondContact CB-O 3.42Å; S421-T434 PolarHBondContact N-O 2.76Å; S421-T434 PolarHBondContact OG-N 3.18Å; S421-T434 PolarHBondContact OG-O 3Å
422V97.6Very high92.1Very high134 Ų13480 Ų8081%0.81243%0.428SS*.PPolyproline II helixtrans-57.9144.7165.2-173.40000108.9
423W96.9Very high93.5Very high64 Ų6478.1 Ų78.124%0.24241%0.411CS..PPolyproline II helixtrans-58.6139.5172.3-74.8107.3000110.7R431 S432 R433 E455 I457W423-R431 HydrophobicContact CD2-CG 4.26Å; W423-R431 HydrophobicContact CE3-CB 4.23Å; W423-R431 HydrophobicContact CE3-CG 3.77Å; W423-R431 HydrophobicContact CZ3-CG 4.35Å; W423-R431 WeakPolarHBondContact CZ3-O 3.43Å; W423-S432 VanDerWaalsContact CE3-C 3.49Å; W423-R433 HydrophobicContact CD2-CB 4.17Å; W423-R433 HydrophobicContact CD2-CG 4.12Å; W423-R433 VanDerWaalsContact CE2-CD 3.5Å; W423-R433 HydrophobicContact CE3-CB 3.89Å; W423-R433 HydrophobicContact CE3-CG 3.87Å; W423-R433 HydrophobicContact CH2-CG 3.69Å; W423-R433 VanDerWaalsContact CZ2-CD 3.45Å; W423-R433 HydrophobicContact CZ2-CG 3.98Å; W423-R433 VanDerWaalsContact CZ2-NE 3.28Å; W423-R433 HydrophobicContact CZ3-CB 4.11Å; W423-R433 HydrophobicContact CZ3-CG 3.64Å; W423-E455 HydrophobicContact CH2-CB 4.3Å; W423-E455 HydrophobicContact CH2-CG 3.98Å; W423-I457 HydrophobicContact CD2-CD1 4.17Å; W423-I457 HydrophobicContact CE3-CD1 4.2Å; W423-I457 HydrophobicContact CE3-CG1 4.1Å; W423-I457 HydrophobicContact CH2-CB 4.14Å; W423-I457 HydrophobicContact CH2-CD1 3.53Å; W423-I457 HydrophobicContact CH2-CG1 3.54Å; W423-I457 HydrophobicContact CH2-CG2 3.63Å; W423-I457 HydrophobicContact CZ2-CD1 3.43Å; W423-I457 VanDerWaalsContact CZ2-CD1 3.43Å; W423-I457 HydrophobicContact CZ2-CG1 4.01Å; W423-I457 HydrophobicContact CZ2-CG2 4.29Å; W423-I457 HydrophobicContact CZ3-CB 4.42Å; W423-I457 HydrophobicContact CZ3-CD1 3.91Å; W423-I457 HydrophobicContact CZ3-CG1 3.57Å; W423-I457 HydrophobicContact CZ3-CG2 4.3Å
424S94.8Very high94.5Very high34 Ų3476.1 Ų76.124%0.23841%0.407CS..PPolyproline II helixtrans-61.9164.5166.973.20000111.1R431 S432S424-R431 WeakPolarHBondContact O-CB 3.32Å; S424-R431 WeakPolarHBondContact OG-CA 3.34Å; S424-S432 WeakPolarHBondContact CB-O 3.35Å; S424-S432 PolarHBondContact N-O 2.98Å; S424-S432 PolarHBondContact OG-N 3.43Å; S424-S432 PolarHBondContact OG-O 2.97Å
425S92.4Very high95Very high73 Ų7370.9 Ų70.951%0.5138%0.38SS..PPolyproline II helixtrans-56.5155165.150.20000111M427S425-M427 PolarHBondContact O-N 3.49Å
426C92.1Very high95.2Very high17 Ų1774.4 Ų74.412%0.11540%0.4CS..  trans-76.186.4-179.3-172.20000110.2R430 C459C426-R430 CarbonylContact C-O 3.54Å; C426-C459 WeakPolarHBondContact CA-SG 2.99Å; C426-C459 HydrophobicContact CB-CB 3.93Å; C426-C459 WeakPolarHBondContact CB-SG 3.26Å; C426-C459 WeakPolarHBondContact SG-CB 3.42Å; C426-C459 CovalentContact SG-SG 2.02Å; C426-C459 PolarHBondContact SG-SG 3.22Å
427M88.7Confident95.3Very high115 Ų11572.3 Ų72.357%0.56739%0.385SS*.BIsolated β-bridgetrans-93.7120.2177.7-62.2-171.175.400109.9S425 K429 R430S425-M427 PolarHBondContact O-N 3.49Å; M427-K429 PolarHBondContact O-N 3.18Å; M427-R430 CarbonylContact C-O 3.57Å; M427-R430 PolarHBondContact N-O 3.01Å; M427-R430 PolarHBondContact O-N 3.44Å
428C89.8Confident95.2Very high67 Ų6773 Ų7345%0.45339%0.394SS..THydrogen-bonded Turntrans57.645.6176.9-45.40000113R430 C471C428-R430 PolarHBondContact O-N 3.03Å; C428-C471 WeakPolarHBondContact CA-SG 3.38Å; C428-C471 HydrophobicContact CB-CB 3.52Å; C428-C471 WeakPolarHBondContact CB-SG 3.45Å; C428-C471 PolarHBondContact N-SG 3.27Å; C428-C471 WeakPolarHBondContact SG-CB 3.41Å; C428-C471 CovalentContact SG-SG 2.03Å; C428-C471 PolarHBondContact SG-SG 2.79Å
429K90.7Very high94.9Very high102 Ų10276.5 Ų76.544%0.44340%0.403SS..THydrogen-bonded Turntrans60.417.8-175.4-61.3177.4168.5168.20114M427 I458 C459 E468M427-K429 PolarHBondContact O-N 3.18Å; K429-I458 WeakPolarHBondContact O-CA 3.38Å; K429-I458 WeakPolarHBondContact O-CG2 2.96Å; K429-C459 PolarHBondContact O-N 3.18Å; K429-E468 VanDerWaalsContact CE-CD 3.48Å; K429-E468 VanDerWaalsContact CE-OE1 3.23Å; K429-E468 WeakPolarHBondContact CE-OE1 3.42Å; K429-E468 WeakPolarHBondContact CE-OE2 3.44Å; K429-E468 IonicContact NZ-OE1 2.76Å; K429-E468 PolarHBondContact NZ-OE1 3.48Å; K429-E468 IonicContact NZ-OE2 3.13Å; K429-E468 PolarHBondContact NZ-OE2 3.4Å
430R93Very high94.5Very high131 Ų13172.9 Ų72.949%0.49438%0.377SS..EExtended strand (participates in β ladder)trans-130.6144.5177.3-63.9-176.9-176.5-174.2-1111.1C426 M427 C428 I456 I457 C459C426-R430 CarbonylContact C-O 3.54Å; M427-R430 CarbonylContact C-O 3.57Å; M427-R430 PolarHBondContact N-O 3.01Å; M427-R430 PolarHBondContact O-N 3.44Å; C428-R430 PolarHBondContact O-N 3.03Å; R430-I456 HydrophobicContact CB-CG2 4.28Å; R430-I457 WeakPolarHBondContact CA-O 3.11Å; R430-C459 PolarHBondContact N-SG 3.43Å; R430-C459 VanDerWaalsContact N-SG 3.43Å
431R95.4Very high93.9Very high92 Ų9276.1 Ų76.135%0.34740%0.404SS..EExtended strand (participates in β ladder)trans-133.9149.1168.157.9-175.9-177.3171.62.6109.4W423 S424 I457 C459W423-R431 HydrophobicContact CD2-CG 4.26Å; W423-R431 HydrophobicContact CE3-CB 4.23Å; W423-R431 HydrophobicContact CE3-CG 3.77Å; W423-R431 HydrophobicContact CZ3-CG 4.35Å; W423-R431 WeakPolarHBondContact CZ3-O 3.43Å; S424-R431 WeakPolarHBondContact O-CB 3.32Å; S424-R431 WeakPolarHBondContact OG-CA 3.34Å; R431-I457 HydrophobicContact CG-CD1 4.11Å; R431-I457 HydrophobicContact CG-CG1 3.62Å; R431-I457 PolarHBondContact N-O 3.19Å; R431-I457 VanDerWaalsContact NE-CD1 3.3Å; R431-I457 PolarHBondContact O-N 2.84Å; R431-C459 HydrophobicContact CG-CB 4.08Å
432S96.2Very high93.2Very high54 Ų5480.6 Ų80.638%0.37843%0.425SS..EExtended strand (participates in β ladder)trans-126.4151-176.757.90000111.4W423 S424 E455W423-S432 VanDerWaalsContact CE3-C 3.49Å; S424-S432 WeakPolarHBondContact CB-O 3.35Å; S424-S432 PolarHBondContact N-O 2.98Å; S424-S432 PolarHBondContact OG-N 3.43Å; S424-S432 PolarHBondContact OG-O 2.97Å; S432-E455 CarbonylContact C-O 3.52Å; S432-E455 WeakPolarHBondContact CA-O 3.19Å
433R98Very high92.1Very high59 Ų5975.2 Ų75.222%0.22339%0.394CS..EExtended strand (participates in β ladder)trans-135.4158.1166.964.3-178.3-177179.7-5.6109.8W420 S421 W423 E455W420-R433 HydrophobicContact CD2-CG 4.26Å; W420-R433 HydrophobicContact CE3-CB 4.43Å; W420-R433 HydrophobicContact CE3-CG 3.69Å; W420-R433 HydrophobicContact CZ3-CG 4.16Å; S421-R433 WeakPolarHBondContact OG-CA 3.33Å; W423-R433 HydrophobicContact CD2-CB 4.17Å; W423-R433 HydrophobicContact CD2-CG 4.12Å; W423-R433 VanDerWaalsContact CE2-CD 3.5Å; W423-R433 HydrophobicContact CE3-CB 3.89Å; W423-R433 HydrophobicContact CE3-CG 3.87Å; W423-R433 HydrophobicContact CH2-CG 3.69Å; W423-R433 VanDerWaalsContact CZ2-CD 3.45Å; W423-R433 HydrophobicContact CZ2-CG 3.98Å; W423-R433 VanDerWaalsContact CZ2-NE 3.28Å; W423-R433 HydrophobicContact CZ3-CB 4.11Å; W423-R433 HydrophobicContact CZ3-CG 3.64Å; R433-E455 HydrophobicContact CG-CB 4.11Å; R433-E455 IonicContact CZ-OE2 2.79Å; R433-E455 PolarHBondContact N-O 2.99Å; R433-E455 IonicContact NE-OE2 3.45Å; R433-E455 PolarHBondContact NE-OE2 3.37Å; R433-E455 IonicContact NH2-OE1 3.27Å; R433-E455 IonicContact NH2-OE2 3.71Å; R433-E455 PolarHBondContact NH2-OE2 3.5Å; R433-E455 PolarHBondContact O-N 3.26Å
434T97.7Very high90.9Very high78 Ų7876.2 Ų76.248%0.47941%0.409SS..EExtended strand (participates in β ladder)trans-131157.6-177.755.20000110.7S421 S453S421-T434 WeakPolarHBondContact CB-O 3.42Å; S421-T434 PolarHBondContact N-O 2.76Å; S421-T434 PolarHBondContact OG-N 3.18Å; S421-T434 PolarHBondContact OG-O 3Å; T434-S453 CarbonylContact C-O 3.54Å; T434-S453 WeakPolarHBondContact CA-O 3.13Å
435R97.7Very high90.1Very high53 Ų5379.7 Ų79.720%0.242%0.424CS..  trans-139.4155.5169.559.3179.1-179.9175.20109.8W417 W420 E452 S453W417-R435 VanDerWaalsContact CD1-CZ 3.5Å; W417-R435 HydrophobicContact CD2-CG 4.11Å; W417-R435 HydrophobicContact CE3-CB 4.32Å; W417-R435 HydrophobicContact CE3-CG 3.54Å; W417-R435 HydrophobicContact CZ3-CG 3.96Å; W420-R435 HydrophobicContact CD2-CB 4.14Å; W420-R435 HydrophobicContact CD2-CG 4.09Å; W420-R435 HydrophobicContact CE3-CB 3.78Å; W420-R435 HydrophobicContact CE3-CG 3.72Å; W420-R435 HydrophobicContact CH2-CG 3.81Å; W420-R435 HydrophobicContact CZ2-CG 4.15Å; W420-R435 VanDerWaalsContact CZ2-NE 3.27Å; W420-R435 HydrophobicContact CZ3-CB 4.12Å; W420-R435 HydrophobicContact CZ3-CG 3.58Å; R435-E452 VanDerWaalsContact CZ-O 3.26Å; R435-E452 PolarHBondContact NE-O 3.36Å; R435-E452 PolarHBondContact NH2-O 3.02Å; R435-S453 PolarHBondContact N-O 2.78Å
436T96Very high89.4Confident90 Ų9082.6 Ų82.655%0.55243%0.433SS*.  trans-107.6141.9-177.2-54.80000109.6S418 N438S418-T436 WeakPolarHBondContact CB-O 3.48Å; S418-T436 PolarHBondContact N-O 3.36Å; S418-T436 PolarHBondContact OG-N 2.03Å; S418-T436 PolarHBondContact OG-O 3.08Å; T436-N438 PolarHBondContact O-N 3.22Å
437C96.1Very high88.9Confident25 Ų2586.2 Ų86.217%0.16945%0.454CS..EExtended strand (participates in β ladder)trans-83115.2172.4-177.60000109.1W417 Y439 C449W417-C437 HydrophobicContact CE3-CB 4.14Å; W417-C437 HydrophobicContact CH2-CB 4.29Å; W417-C437 HydrophobicContact CZ3-CB 3.83Å; C437-Y439 HydrophobicContact CB-CE2 4.14Å; C437-Y439 VanDerWaalsContact SG-CZ 3.58Å; C437-C449 WeakPolarHBondContact CA-SG 3.34Å; C437-C449 HydrophobicContact CB-CB 3.76Å; C437-C449 WeakPolarHBondContact CB-SG 3.39Å; C437-C449 WeakPolarHBondContact SG-CB 3.42Å; C437-C449 PolarHBondContact SG-N 3.37Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 2.88Å
438N93.9Very high89Confident77 Ų7782.4 Ų82.441%0.41245%0.445SS..EExtended strand (participates in β ladder)trans-90.2118.1179-64-27.7000109.1A415 S416 T436A415-N438 WeakPolarHBondContact CA-O 3.02Å; S416-N438 PolarHBondContact N-O 3.24Å; S416-N438 WeakPolarHBondContact O-CB 3.46Å; S416-N438 PolarHBondContact O-N 3.17Å; T436-N438 PolarHBondContact O-N 3.22Å
439Y90.9Very high89.1Confident104 Ų10480 Ų8041%0.40843%0.428SS..PPolyproline II helixtrans-93.8134.6173.2-63.2-87.9000109.3A415 C437 L445A415-Y439 HydrophobicContact CB-CD1 3.7Å; A415-Y439 HydrophobicContact CB-CE1 3.73Å; A415-Y439 HydrophobicContact CB-CG 4.46Å; C437-Y439 HydrophobicContact CB-CE2 4.14Å; C437-Y439 VanDerWaalsContact SG-CZ 3.58Å; Y439-L445 HydrophobicContact CD1-CD2 3.67Å; Y439-L445 HydrophobicContact CD2-CD2 4.12Å; Y439-L445 HydrophobicContact CE1-CD2 4.12Å; Y439-L445 HydrophobicContact CG-CD2 3.66Å
440P89.4Confident89.3Confident36 Ų3680.4 Ų80.423%0.23444%0.441CS..PPolyproline II helixtrans-58.5142.6167.9-10.921.7000109.5H413 D442 A443H413-P440 HydrophobicContact CB-CB 3.67Å; H413-P440 HydrophobicContact CB-CG 3.22Å; H413-P440 WeakPolarHBondContact O-CG 3.37Å; P440-D442 PolarHBondContact O-N 3.45Å; P440-D442 VanDerWaalsContact O-N 3.1Å; P440-A443 HydrophobicContact CB-CB 3.76Å; P440-A443 HydrophobicContact CG-CB 3.55Å; P440-A443 PolarHBondContact O-N 2.96Å; P440-A443 VanDerWaalsContact O-N 3.17Å
441V86.9Confident89.4Confident143 Ų14377.1 Ų77.187%0.86745%0.449SS*.THydrogen-bonded Turntrans-55.2-33-178.5-179.50000111.6
442D83.2Confident89.4Confident145 Ų14578.7 Ų78.778%0.77546%0.46SS*.THydrogen-bonded Turntrans-104.10.7-172.7-50.9-47.3000113.6P440P440-D442 PolarHBondContact O-N 3.45Å; P440-D442 VanDerWaalsContact O-N 3.1Å
443A74.4Confident89.4Confident20 Ų2078.9 Ų78.917%0.16546%0.461CS..SBendtrans-85.5133.3-177.900000111.1P440 L445P440-A443 HydrophobicContact CB-CB 3.76Å; P440-A443 HydrophobicContact CG-CB 3.55Å; P440-A443 PolarHBondContact O-N 2.96Å; P440-A443 VanDerWaalsContact O-N 3.17Å; A443-L445 PolarHBondContact O-N 2.99Å
444P72.5Confident89.4Confident85 Ų8582 Ų8255%0.55247%0.474SS*.  trans-58.2131.3168.224.3-30.6000108.5I446P444-I446 HydrophobicContact CB-CD1 4.45Å; P444-I446 HydrophobicContact CB-CG1 4.14Å; P444-I446 HydrophobicContact CB-CG2 4.22Å; P444-I446 HydrophobicContact CG-CD1 4.07Å; P444-I446 HydrophobicContact CG-CG1 4.07Å; P444-I446 WeakPolarHBondContact O-CG1 3.42Å; P444-I446 PolarHBondContact O-N 3.33Å
445L77.5Confident89.4Confident108 Ų10881 Ų8157%0.56546%0.463SS*.THydrogen-bonded Turntrans-6728.2-177.6-67.5165.8000113.7Y439 A443Y439-L445 HydrophobicContact CD1-CD2 3.67Å; Y439-L445 HydrophobicContact CD2-CD2 4.12Å; Y439-L445 HydrophobicContact CE1-CD2 4.12Å; Y439-L445 HydrophobicContact CG-CD2 3.66Å; A443-L445 PolarHBondContact O-N 2.99Å
446I76.6Confident89.3Confident134 Ų13483 Ų8369%0.68748%0.477SS*.THydrogen-bonded Turntrans-78.1-31.8-172.153.5170.1000112.8P444P444-I446 HydrophobicContact CB-CD1 4.45Å; P444-I446 HydrophobicContact CB-CG1 4.14Å; P444-I446 HydrophobicContact CB-CG2 4.22Å; P444-I446 HydrophobicContact CG-CD1 4.07Å; P444-I446 HydrophobicContact CG-CG1 4.07Å; P444-I446 WeakPolarHBondContact O-CG1 3.42Å; P444-I446 PolarHBondContact O-N 3.33Å
447T82.1Confident89.3Confident92 Ų9280.9 Ų80.956%0.56446%0.462SS*.SBendtrans-123.8106.9-175.4-46.10000109.7A415A415-T447 WeakPolarHBondContact CB-O 3.45Å
448G90Very high89.3Confident36 Ų3686.1 Ų86.137%0.37149%0.487SS..PPolyproline II helixtrans-71.3173.9172.900000112.9
449C93.7Very high89.3Confident15 Ų1583 Ų8310%0.10147%0.471CS..PPolyproline II helixtrans-72.7127177.3-58.50000110.5A415 S416 W417 C437A415-C449 VanDerWaalsContact C-SG 3.5Å; S416-C449 PolarHBondContact O-SG 3.48Å; S416-C449 VanDerWaalsContact O-SG 3.36Å; W417-C449 HydrophobicContact CD2-CB 3.57Å; W417-C449 HydrophobicContact CE3-CB 4.1Å; W417-C449 HydrophobicContact CG-CB 4.01Å; W417-C449 HydrophobicContact CH2-CB 4.01Å; W417-C449 HydrophobicContact CZ2-CB 3.48Å; W417-C449 VanDerWaalsContact CZ2-CB 3.48Å; W417-C449 WeakPolarHBondContact CZ2-O 3.34Å; W417-C449 HydrophobicContact CZ3-CB 4.31Å; C437-C449 WeakPolarHBondContact CA-SG 3.34Å; C437-C449 HydrophobicContact CB-CB 3.76Å; C437-C449 WeakPolarHBondContact CB-SG 3.39Å; C437-C449 WeakPolarHBondContact SG-CB 3.42Å; C437-C449 PolarHBondContact SG-N 3.37Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 2.88Å
450P93.4Very high89.2Confident111 Ų11187.7 Ų87.772%0.72150%0.497SS*.SBendtrans-71.6130.7178.527.8-33.4000111.3W417W417-P450 PolarHBondContact NE1-O 3.47Å
451G95.4Very high88.5Confident63 Ų6387.9 Ų87.965%0.64951%0.505SS*.SBendtrans114.5-172.717600000114.3W417W417-G451 WeakPolarHBondContact CZ2-O 3.49Å
452E95.8Very high87.2Confident124 Ų12487 Ų8758%0.57951%0.506SS*.  trans-85.4140.2-176.5-59.1-175.6152.900111.7R435R435-E452 VanDerWaalsContact CZ-O 3.26Å; R435-E452 PolarHBondContact NE-O 3.36Å; R435-E452 PolarHBondContact NH2-O 3.02Å
453S96.7Very high86.3Confident58 Ų5885.4 Ų85.441%0.40649%0.493SS..SBendtrans-88.2-11.6174.756.70000113.5T434 R435T434-S453 CarbonylContact C-O 3.54Å; T434-S453 WeakPolarHBondContact CA-O 3.13Å; R435-S453 PolarHBondContact N-O 2.78Å
454Y97.1Very high86.3Confident125 Ų12588.2 Ų88.249%0.4951%0.506SS..EExtended strand (participates in β ladder)trans-134.4148.4-178.973.9-89.6000109.5I456Y454-I456 HydrophobicContact CD2-CD1 4.23Å; Y454-I456 HydrophobicContact CD2-CG1 4.17Å; Y454-I456 HydrophobicContact CE2-CD1 4.22Å
455E97.4Very high86.5Confident56 Ų5688.9 Ų88.926%0.26251%0.51SS..EExtended strand (participates in β ladder)trans-137137.5175.6-170.2-177.4174.100108.9W420 W423 S432 R433 I457W420-E455 HydrophobicContact CH2-CB 3.94Å; W420-E455 HydrophobicContact CZ3-CB 4.08Å; W423-E455 HydrophobicContact CH2-CB 4.3Å; W423-E455 HydrophobicContact CH2-CG 3.98Å; S432-E455 CarbonylContact C-O 3.52Å; S432-E455 WeakPolarHBondContact CA-O 3.19Å; R433-E455 HydrophobicContact CG-CB 4.11Å; R433-E455 IonicContact CZ-OE2 2.79Å; R433-E455 PolarHBondContact N-O 2.99Å; R433-E455 IonicContact NE-OE2 3.45Å; R433-E455 PolarHBondContact NE-OE2 3.37Å; R433-E455 IonicContact NH2-OE1 3.27Å; R433-E455 IonicContact NH2-OE2 3.71Å; R433-E455 PolarHBondContact NH2-OE2 3.5Å; R433-E455 PolarHBondContact O-N 3.26Å; E455-I457 HydrophobicContact CG-CG2 4.42Å
456I96.5Very high86.6Confident95 Ų9589.8 Ų89.849%0.48751%0.511SS..EExtended strand (participates in β ladder)trans-127.8123.6179.5-56.2173.4000108R430 Y454R430-I456 HydrophobicContact CB-CG2 4.28Å; Y454-I456 HydrophobicContact CD2-CD1 4.23Å; Y454-I456 HydrophobicContact CD2-CG1 4.17Å; Y454-I456 HydrophobicContact CE2-CD1 4.22Å
457I96.8Very high86.5Confident47 Ų4787.8 Ų87.824%0.24150%0.501CS..EExtended strand (participates in β ladder)trans-122156.9176.364.6175.4000111.1W423 R430 R431 E455W423-I457 HydrophobicContact CD2-CD1 4.17Å; W423-I457 HydrophobicContact CE3-CD1 4.2Å; W423-I457 HydrophobicContact CE3-CG1 4.1Å; W423-I457 HydrophobicContact CH2-CB 4.14Å; W423-I457 HydrophobicContact CH2-CD1 3.53Å; W423-I457 HydrophobicContact CH2-CG1 3.54Å; W423-I457 HydrophobicContact CH2-CG2 3.63Å; W423-I457 HydrophobicContact CZ2-CD1 3.43Å; W423-I457 VanDerWaalsContact CZ2-CD1 3.43Å; W423-I457 HydrophobicContact CZ2-CG1 4.01Å; W423-I457 HydrophobicContact CZ2-CG2 4.29Å; W423-I457 HydrophobicContact CZ3-CB 4.42Å; W423-I457 HydrophobicContact CZ3-CD1 3.91Å; W423-I457 HydrophobicContact CZ3-CG1 3.57Å; W423-I457 HydrophobicContact CZ3-CG2 4.3Å; R430-I457 WeakPolarHBondContact CA-O 3.11Å; R431-I457 HydrophobicContact CG-CD1 4.11Å; R431-I457 HydrophobicContact CG-CG1 3.62Å; R431-I457 PolarHBondContact N-O 3.19Å; R431-I457 VanDerWaalsContact NE-CD1 3.3Å; R431-I457 PolarHBondContact O-N 2.84Å; E455-I457 HydrophobicContact CG-CG2 4.42Å
458I95.3Very high86.3Confident135 Ų13587.2 Ų87.269%0.69249%0.492SS*.EExtended strand (participates in β ladder)trans-80.2133.2170.2-59173.2000107.6K429K429-I458 WeakPolarHBondContact O-CA 3.38Å; K429-I458 WeakPolarHBondContact O-CG2 2.96Å
459C92.8Very high85.9Confident11 Ų1192.3 Ų92.37%0.07450%0.504CS..  trans-110.8139.3175.738.60000109.8C426 K429 R430 R431 G461C426-C459 WeakPolarHBondContact CA-SG 2.99Å; C426-C459 HydrophobicContact CB-CB 3.93Å; C426-C459 WeakPolarHBondContact CB-SG 3.26Å; C426-C459 WeakPolarHBondContact SG-CB 3.42Å; C426-C459 CovalentContact SG-SG 2.02Å; C426-C459 PolarHBondContact SG-SG 3.22Å; K429-C459 PolarHBondContact O-N 3.18Å; R430-C459 PolarHBondContact N-SG 3.43Å; R430-C459 VanDerWaalsContact N-SG 3.43Å; R431-C459 HydrophobicContact CG-CB 4.08Å; C459-G461 PolarHBondContact O-N 2.94Å
460E89.5Confident85.4Confident203 Ų20395 Ų9595%0.94952%0.518SS*.  trans-83.614.5179.8-66.1-178.216900113.1S462E460-S462 PolarHBondContact O-N 2.93Å
461G74.1Confident85Confident39 Ų3991 Ų9140%0.40249%0.492SS..  trans-71.9122.1-173.200000113.1C459 E463C459-G461 PolarHBondContact O-N 2.94Å; G461-E463 PolarHBondContact O-N 3.08Å
462S59.8Low84.2Confident126 Ų12692.4 Ų92.488%0.88148%0.484SS*.  trans-74.547.1175.553.60000113.5E460 N464E460-S462 PolarHBondContact O-N 2.93Å; S462-N464 VanDerWaalsContact C-N 3.31Å; S462-N464 PolarHBondContact O-N 2.73Å
463E65.4Low83.7Confident111 Ų11192.7 Ų92.752%0.51948%0.483SS..  trans-78.784.1179.7-74.2-179.6-163.700110.4G461G461-E463 PolarHBondContact O-N 3.08Å
464N73.9Confident82.9Confident79 Ų7998 Ų9842%0.42249%0.494SS..  trans55.9113.4169.8-166.1-13.2000115.4S462 E466 L467 E468S462-N464 VanDerWaalsContact C-N 3.31Å; S462-N464 PolarHBondContact O-N 2.73Å; N464-E466 PolarHBondContact O-N 3.28Å; N464-E466 WeakPolarHBondContact OD1-CB 3.45Å; N464-E466 PolarHBondContact OD1-N 3.1Å; N464-L467 HydrophobicContact CB-CB 4.44Å; N464-L467 HydrophobicContact CB-CD1 3.99Å; N464-L467 HydrophobicContact CB-CG 4.23Å; N464-L467 WeakPolarHBondContact O-CB 3.02Å; N464-L467 PolarHBondContact O-N 3.33Å; N464-E468 PolarHBondContact O-N 2.92Å
465P76Confident81.9Confident99 Ų9993.7 Ų93.764%0.64348%0.484SS*.Hα-helixtrans-56-20.5176.424.1-34.4000113.6K469P465-K469 PolarHBondContact O-N 3.31Å
466E80.6Confident80.9Confident127 Ų12799.1 Ų99.159%0.59351%0.507SS*.Hα-helixtrans-70.8-38.3173.7-162.1168.3-163.600113.1N464 E468 K469 N470N464-E466 PolarHBondContact O-N 3.28Å; N464-E466 WeakPolarHBondContact OD1-CB 3.45Å; N464-E466 PolarHBondContact OD1-N 3.1Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 3.17Å; E466-K469 PolarHBondContact O-N 3.11Å; E466-N470 PolarHBondContact O-N 3.26Å
467L74.8Confident79.9Confident91 Ų91102.4 Ų102.448%0.47652%0.522SS..Hα-helixtrans-66.5-35174.7-76.3167.2000111.3N464 K469 N470 C471N464-L467 HydrophobicContact CB-CB 4.44Å; N464-L467 HydrophobicContact CB-CD1 3.99Å; N464-L467 HydrophobicContact CB-CG 4.23Å; N464-L467 WeakPolarHBondContact O-CB 3.02Å; N464-L467 PolarHBondContact O-N 3.33Å; L467-K469 PolarHBondContact O-N 3.39Å; L467-N470 PolarHBondContact O-N 3.04Å; L467-C471 WeakPolarHBondContact O-CB 3.4Å; L467-C471 PolarHBondContact O-N 3.45Å; L467-C471 PolarHBondContact O-SG 2.79Å; L467-C471 VanDerWaalsContact O-SG 3.39Å
468E76.5Confident78Confident81 Ų81107.6 Ų107.638%0.37955%0.55SS.*Hα-helixtrans-62.9-42.6175.5-174.6169.8-176.900111.9K429 N464 E466 N470 C471 I472K429-E468 VanDerWaalsContact CE-CD 3.48Å; K429-E468 VanDerWaalsContact CE-OE1 3.23Å; K429-E468 WeakPolarHBondContact CE-OE1 3.42Å; K429-E468 WeakPolarHBondContact CE-OE2 3.44Å; K429-E468 IonicContact NZ-OE1 2.76Å; K429-E468 PolarHBondContact NZ-OE1 3.48Å; K429-E468 IonicContact NZ-OE2 3.13Å; K429-E468 PolarHBondContact NZ-OE2 3.4Å; N464-E468 PolarHBondContact O-N 2.92Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 3.17Å; E468-N470 VanDerWaalsContact C-N 3.31Å; E468-N470 PolarHBondContact O-N 3.41Å; E468-C471 WeakPolarHBondContact O-CB 3.49Å; E468-C471 PolarHBondContact O-N 3.09Å; E468-I472 HydrophobicContact CG-CD1 4.37Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.02Å; E468-I472 VanDerWaalsContact O-N 3.11Å
469K82.8Confident77.2Confident142 Ų142106.3 Ų106.362%0.61754%0.543SS*.Hα-helixtrans-61.9-40.7175.7-70.2177-176.1174.50111.4P465 E466 L467 I472 K473P465-K469 PolarHBondContact O-N 3.31Å; E466-K469 PolarHBondContact O-N 3.11Å; L467-K469 PolarHBondContact O-N 3.39Å; K469-I472 PolarHBondContact O-N 3.48Å; K469-K473 WeakPolarHBondContact O-CG 3.35Å; K469-K473 PolarHBondContact O-N 2.78Å; K469-K473 VanDerWaalsContact O-N 3.07Å
470N82.6Confident76.3Confident73 Ų73111.3 Ų111.339%0.3957%0.568SS.*Hα-helixtrans-68.9-36.4178.8-71.1-16.2000112.3E466 L467 E468 K473 R474E466-N470 PolarHBondContact O-N 3.26Å; L467-N470 PolarHBondContact O-N 3.04Å; E468-N470 VanDerWaalsContact C-N 3.31Å; E468-N470 PolarHBondContact O-N 3.41Å; N470-K473 PolarHBondContact O-N 2.72Å; N470-R474 PolarHBondContact O-N 3.36Å
471C85.2Confident75.6Confident27 Ų27106.2 Ų106.218%0.18255%0.547CS..Hα-helixtrans-59-46.5172.5-83.50000112.5C428 L467 E468 K473 A475C428-C471 WeakPolarHBondContact CA-SG 3.38Å; C428-C471 HydrophobicContact CB-CB 3.52Å; C428-C471 WeakPolarHBondContact CB-SG 3.45Å; C428-C471 PolarHBondContact N-SG 3.27Å; C428-C471 WeakPolarHBondContact SG-CB 3.41Å; C428-C471 CovalentContact SG-SG 2.03Å; C428-C471 PolarHBondContact SG-SG 2.79Å; L467-C471 WeakPolarHBondContact O-CB 3.4Å; L467-C471 PolarHBondContact O-N 3.45Å; L467-C471 PolarHBondContact O-SG 2.79Å; L467-C471 VanDerWaalsContact O-SG 3.39Å; E468-C471 WeakPolarHBondContact O-CB 3.49Å; E468-C471 PolarHBondContact O-N 3.09Å; C471-K473 VanDerWaalsContact C-N 3.34Å; C471-K473 PolarHBondContact O-N 3.13Å; C471-A475 VanDerWaalsContact O-CB 3.3Å; C471-A475 WeakPolarHBondContact O-CB 3.48Å; C471-A475 PolarHBondContact O-N 3.27Å
472I79.7Confident75.7Confident92 Ų92110.1 Ų110.147%0.47256%0.555SS.*Hα-helixtrans-66.1-38.6178-63.2167.6000110.8E468 K469 A475 K476E468-I472 HydrophobicContact CG-CD1 4.37Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.02Å; E468-I472 VanDerWaalsContact O-N 3.11Å; K469-I472 PolarHBondContact O-N 3.48Å; I472-A475 CarbonylContact O-C 3.6Å; I472-A475 PolarHBondContact O-N 2.82Å; I472-K476 WeakPolarHBondContact O-CG 3.49Å; I472-K476 PolarHBondContact O-N 3.37Å
473K84.3Confident76.7Confident130 Ų130109.1 Ų109.157%0.56554%0.535SS*.Hα-helixtrans-65.2-47.8177.5-74.7179.1-179.81800112.4K469 N470 C471 A475 K476 M477K469-K473 WeakPolarHBondContact O-CG 3.35Å; K469-K473 PolarHBondContact O-N 2.78Å; K469-K473 VanDerWaalsContact O-N 3.07Å; N470-K473 PolarHBondContact O-N 2.72Å; C471-K473 VanDerWaalsContact C-N 3.34Å; C471-K473 PolarHBondContact O-N 3.13Å; K473-A475 PolarHBondContact O-N 3.23Å; K473-K476 PolarHBondContact O-N 2.75Å; K473-M477 PolarHBondContact O-N 3.27Å
474R78.9Confident77.5Confident170 Ų170109 Ų10964%0.64254%0.536SS*.Hα-helixtrans-61.9-36.2175-74.4-173.2-1721742.3111.6N470 K476 M477 N478N470-R474 PolarHBondContact O-N 3.36Å; R474-K476 PolarHBondContact O-N 2.79Å; R474-M477 PolarHBondContact O-N 2.66Å; R474-N478 PolarHBondContact O-N 2.94Å
475A77.5Confident77.7Confident33 Ų33111.1 Ų111.127%0.27354%0.544SS..Hα-helixtrans-70-3.8172.800000114K169 C471 I472 K473K169-A475 WeakPolarHBondContact CE-O 3.46Å; K169-A475 VanDerWaalsContact NZ-CA 3.32Å; K169-A475 PolarHBondContact NZ-O 2.7Å; C471-A475 VanDerWaalsContact O-CB 3.3Å; C471-A475 WeakPolarHBondContact O-CB 3.48Å; C471-A475 PolarHBondContact O-N 3.27Å; I472-A475 CarbonylContact O-C 3.6Å; I472-A475 PolarHBondContact O-N 2.82Å; K473-A475 PolarHBondContact O-N 3.23Å
476K75.8Confident77.8Confident171 Ų171112.1 Ų112.174%0.74354%0.537SS*.Hα-helixtrans-104.2-20171.4-73.4-179.9179.3-177.10113.3I472 K473 R474I472-K476 WeakPolarHBondContact O-CG 3.49Å; I472-K476 PolarHBondContact O-N 3.37Å; K473-K476 PolarHBondContact O-N 2.75Å; R474-K476 PolarHBondContact O-N 2.79Å
477M75.8Confident77.6Confident164 Ų164110.8 Ų110.881%0.80853%0.532SS*.Hα-helixtrans-86.5-23.3-178.4-69.1177.9168.800113.3K473 R474K473-M477 PolarHBondContact O-N 3.27Å; R474-M477 PolarHBondContact O-N 2.66Å
478N57.3Low77.9Confident156 Ų156112.6 Ų112.683%0.83454%0.537SS*.  trans-100.90166.9-62.11.1000110.5K169 R474K169-N478 WeakPolarHBondContact CD-OXT 3.23Å; K169-N478 PolarHBondContact NZ-OXT 2.75Å; R474-N478 PolarHBondContact O-N 2.94Å

Retrieved 478 of 478 residues in 439.8 ms (Link to these results)